smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1CCN(c2ccc([C@@H](C)NC(=O)C3CCCC3)cc2)CC1 225570916 LGHDXJMTCPQQAK-MRXNPFEDSA-N 314.473 4.290 10 40 DICB CCOC(=O)[C@@H]1CCCCC12Nc1cccc3cccc(c13)N2 1609809 RPMYZPHTRLHWMJ-AWEZNQCLSA-N 310.397 4.127 10 40 DICB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 4004283 SLSSOGBNYLVCRS-MPGHIAIKSA-N 309.340 4.350 10 40 DICB Oc1ccc2ccccc2c1CN1CCC[C@@H](C(F)(F)F)C1 6639789 RCPBAZFNODVCKC-CYBMUJFWSA-N 309.331 4.320 10 40 DICB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(C)o3)S2)c1 7165557 QSDJJOMQEKDBFT-DHDCSXOGSA-N 312.394 4.287 10 40 DICB CCc1ccc(NC2=NC(=O)/C(=C/C=C/c3ccco3)S2)cc1 35043167 CQPQPCHZLCURJG-JLJGJNDSSA-N 324.405 4.481 10 40 DICB CC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccc(O)cc1 1454951 ZHSLPLLHBMGXFG-UHFFFAOYSA-O 311.430 4.480 10 40 DICB C[C@@H](NCc1ccc(N(C)C)cc1)C12CC3CC(CC(C3)C1)C2 5092186 PDUNTEPIRYNWFI-OQNUJHGRSA-N 312.501 4.447 10 40 DICB CCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)c2ccccc21 409113790 FNTAYEVORHMPRX-JXAWBTAJSA-N 306.409 4.050 10 40 DICB Fc1ccc(Nc2c(-c3ccccn3)nc3ccccn23)cc1 3906245 WMDZFZPYBJESDQ-UHFFFAOYSA-N 304.328 4.279 10 40 DICB CCOc1cc2nccc(Oc3ccc(N)cc3)c2cc1OCC 64875282 MMRPUZRCXASFCX-UHFFFAOYSA-N 324.380 4.407 10 40 DICB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(Cl)s1 14176732 OALHMXZTMYSSQD-FLIBITNWSA-N 320.826 4.484 10 40 DICB CC[C@H](C)[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5531364 VIXKCWTWOBFMSB-SJCJKPOMSA-N 308.381 4.299 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 6962862 NFCMAZOVFIHHSA-RKVPGOIHSA-N 321.380 4.433 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)cc(C)cc1C 16267161 NBRISAUMKOAXIH-UNOMPAQXSA-N 304.393 4.418 10 40 DICB Cn1c2ccccc2c2ccc3c(c21)C(=O)c1ccccc1C3=O 4824194 JJQIATBTHVGNGQ-UHFFFAOYSA-N 311.340 4.107 10 40 DICB O=C1c2c(c(Cl)c3ccccc3c2O)C(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1 104217187 VIBFGGYPUAIUBG-VDUILEQBSA-N 324.763 4.016 10 40 DICB Cc1cc(C)cc(NC2=NC(=O)/C(=C\c3cccs3)S2)c1 5695924 JECFBCDXZUXQKI-NTEUORMPSA-N 314.435 4.447 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2ccccc2n1 100148430 HTWQJQSZTIUXDN-AQTBWJFISA-N 313.360 4.041 10 40 DICB Oc1ccccc1CNc1nc2c(s1)CCc1ccccc1-2 200973 UQAGTTHQFCGGRS-UHFFFAOYSA-N 308.406 4.226 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccccc1C 5333850 ZITNDTWFTUATKZ-ATVHPVEESA-N 305.381 4.022 10 40 DICB CCN(CC)Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12 1317600 KCXWMHZPCFXVND-UHFFFAOYSA-N 323.392 4.007 10 40 DICB biogenic Oc1ccc(Br)cc1CNc1cc(F)ccc1F 44836193 YYZIPXANRSPWCP-UHFFFAOYSA-N 314.129 4.045 10 40 DICB Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccccc1F 12609826 MZOVWKRZSIBAKL-UHFFFAOYSA-N 314.404 4.296 10 40 DICB COc1cccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)c1 33301692 QVBJRFXGZQZANG-MHWRWJLKSA-N 306.361 4.293 10 40 DICB CC(=O)Nc1cc(N=Nc2ccccc2)c(C)c(NC(C)=O)c1 245239431 ITXPVCPHNFIJFO-UHFFFAOYSA-N 310.357 4.327 10 40 DICB CCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 2666905 POBRRQKOYQJMDQ-RAXLEYEMSA-N 309.431 4.217 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4140523 SIRAIUISTYRMQP-MDZRGWNJSA-N 321.376 4.220 10 40 DICB O=C(O)c1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1 4298453 MLMWCBTXCKPKTH-JJRVBVJISA-N 309.340 4.350 10 40 DICB C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)C1 6129859 ICMAMHHHGBJVTF-LUHPIMIVSA-N 320.845 4.042 10 40 DICB COc1ccc(-c2cc(C(=O)O)c(C)n2-c2ccccc2)cc1 35517843 COBLXEAZKFJVBW-UHFFFAOYSA-N 307.349 4.160 10 40 DICB CC(C)[C@H](CCNCc1ccc(N(C)C)cc1)c1ccco1 2147315 LLDNFWLKZOUQPR-SFHVURJKSA-N 300.446 4.265 10 40 DICB biogenic NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 229971410 YMCZVBKCPVOUFC-RKVPGOIHSA-N 324.811 4.265 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)cc1C 1452350 BDJBMVCZLQHUDS-ZROIWOOFSA-N 314.435 4.447 10 40 DICB aggregator CN(C)c1ccc(/N=N\c2ccc(/C=C3\CCOC3=O)cc2)cc1 104251330 GPFASNIOUAZMPH-YXVLNQQBSA-N 321.380 4.498 10 40 DICB Cc1cc(C(=S)N2CCCCC2)c(C)n1-c1ccc(F)cc1 6961677 HZYGFIOLVKWYJG-UHFFFAOYSA-N 316.445 4.395 10 40 DICB C[C@H](NC(=S)N(C)[C@H](C)c1ccccc1O)c1ccccc1 44073900 ZAGNZGGGZVFWLT-UONOGXRCSA-N 314.454 4.021 10 40 DICB CC1=C(C(=O)OCc2ccccc2)Sc2cc(C)ccc2N1 107445 RJYWXTZBYCXUPO-UHFFFAOYSA-N 311.406 4.488 10 40 DICB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccc(O)cc3)S2)c1 7165535 BZTGKUHOQREORL-MHWRWJLKSA-N 324.405 4.091 10 40 DICB Cn1c(NC(=O)Nc2ccc(F)c(Cl)c2)nc2ccccc21 27923968 MDBNMHKTSBNGPX-UHFFFAOYSA-N 318.739 4.010 10 40 DICB CN(C)c1ccc(CNc2cccc3ccccc23)cc1[N+](=O)[O-] 226242036 FLXYIISGUULKBP-UHFFFAOYSA-N 321.380 4.426 10 40 DICB COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4891613 WTYCGPVTIZZJEE-BXWFABGCSA-N 322.364 4.430 10 40 DICB Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12 19790442 GINDUKKWVPOXHU-UHFFFAOYSA-N 324.811 4.152 10 40 DICB aggregator CCOc1c(/N=N\c2ccccc2)c(C)nn1C(=S)S 104241118 OEHNKBSUCFUWIG-PFONDFGASA-N 306.416 4.068 10 40 DICB Oc1c([C@H](Nc2nccs2)c2ccco2)ccc2cccnc12 90435 LPJQAEKOHLINHT-HNNXBMFYSA-N 323.377 4.191 10 40 DICB CCOc1cccc(CNc2ccccc2Br)c1O 19922648 KRHHYNDJEIREKV-UHFFFAOYSA-N 322.202 4.166 10 40 DICB CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)ccn1-c1ccccc1 4045177 JJZZSBKQNVPHMP-UHFFFAOYSA-N 318.444 4.021 10 40 DICB Cc1ccc(/N=N/c2c(N)nn3cc4c(nc23)CCCCC4)cc1 16958961 WTMISCAPNRMZAG-QURGRASLSA-N 320.400 4.304 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21 4450154 KUIVETCXSLFXSG-DAYGRLMNSA-N 307.353 4.125 10 40 DICB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)SCCO 18188620 YHUWMUTVSZKEJE-ISLYRVAYSA-N 301.371 4.359 10 40 DICB CC1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)CC1 51673 DIVSAMJJAPQARK-UVTDQMKNSA-N 320.845 4.042 10 40 DICB c1ccc(CCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 1422044 DIFMYNQUXHVQEF-UHFFFAOYSA-N 315.376 4.313 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1 4320920 UQTHKOJLUAKIEL-MPGHIAIKSA-N 323.367 4.439 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C\c3cccc(F)c3)S2)c1 4464760 KVWCOHNZBRLIDN-XNTDXEJSSA-N 312.369 4.217 10 40 DICB Cc1noc(C)c1/N=N/c1ccc(Br)cc1C(=O)O 4986500 QSFIEXIXAROJPM-CCEZHUSRSA-N 324.134 4.168 10 40 DICB O=C1/C(=C/c2ccccc2F)SC(=S)N1C1CCCCC1 13616047 QYMGDAALTWEIFE-UVTDQMKNSA-N 321.442 4.360 10 40 DICB CC(C)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 13838474 FOJJVYFEEGTNSJ-VBKFSLOCSA-N 314.454 4.266 10 40 DICB C[C@@H]1CCCCN1C1=NC(=O)/C(=C\c2cccc(Cl)c2)S1 59474367 NGAJNBWYJUWFKY-ZTMOJVSCSA-N 320.845 4.185 10 40 DICB COCCCNCc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 223673918 RWWPJPVKEAVIBH-UHFFFAOYSA-N 320.864 4.182 10 40 DICB CCC(=O)N[C@H](c1cccs1)c1c(O)ccc2ccccc12 4957191 HXNMGCWZSFWLIK-GOSISDBHSA-N 311.406 4.223 10 40 DICB COc1cc(N(C)C)ccc1/C=C\c1ccnc2ccccc12 17161666 FFMXFPXDHXFMNV-HJWRWDBZSA-N 304.393 4.480 10 40 DICB NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 4459089 YMCZVBKCPVOUFC-RLFYNMQTSA-N 324.811 4.265 10 40 DICB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1N=[N+]=[N-] 20146102 FEJJGCPVFIJXGV-DYVFJYSZSA-N 306.369 4.473 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 6950533 PBKJMCGUCIECBK-MDZRGWNJSA-N 305.377 4.300 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 409150595 CMDGJJCLNWBRGT-JTDSTZFVSA-N 323.367 4.439 10 40 DICB O=C(O)[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@H]21 4132238 JHGJAWDFYUSZLM-HDMKZQKVSA-N 307.349 4.017 10 40 DICB COc1cccc(-c2cc(C(=O)O)c(C)n2-c2ccccc2)c1 35517858 VOXQBWNJOLOCPN-UHFFFAOYSA-N 307.349 4.160 10 40 DICB Cc1cccc(/N=N\[C@@H]2Sc3nc4ccccc4n3C2=O)c1 103994596 LMFXTIUQSZPCFH-ORIGZDJFSA-N 308.366 4.201 10 40 DICB CCCCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1 2678026 OUNPCJUFDZNTBV-SDNWHVSQSA-N 321.467 4.087 10 40 DICB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1C1CCCCC1 13771020 OODBVTVMWJUDNM-UVTDQMKNSA-N 321.442 4.360 10 40 DICB CCOc1ccc(/N=N/c2cc(C=O)c(O)c(OC)c2)cc1 70462006 URAOEBQWBWHLRV-ISLYRVAYSA-N 300.314 4.027 10 40 DICB OCc1ccc(CC2CCCCC2)n1Cc1ccc(F)cc1 226024319 HXCLPRCKTUUREB-UHFFFAOYSA-N 301.405 4.291 10 40 DICB CCNCc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@H]2C 260719630 KRDOCAYDEHGESO-CQSZACIVSA-N 304.478 4.305 10 40 DICB O=C1N=C(N2CCCCCC2)S/C1=C/c1ccc(Cl)cc1 64001 LOSOWJWFLZCDOF-SDNWHVSQSA-N 320.845 4.186 10 40 DICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 229951188 SLSSOGBNYLVCRS-RKVPGOIHSA-N 309.340 4.350 10 40 DICB NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 818892 YMCZVBKCPVOUFC-HDMKZQKVSA-N 324.811 4.265 10 40 DICB COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 5546950 ILEIOJXAJPSNJG-UNOMPAQXSA-N 320.392 4.118 10 40 DICB Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)o1 17142763 ASZZDRZWQZCQTD-MDWZMJQESA-N 319.382 4.133 10 40 DICB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(F)cc2)S1 5705532 AGCQAQMTHUKODL-XNTDXEJSSA-N 312.369 4.217 10 40 DICB Cc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)o1 13150228 KOIYSFDNAAXVLR-LCYFTJDESA-N 307.440 4.122 10 40 DICB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(C)cc3)S2)cc1 16440265 LUHMIEAQNFQYAB-LFIBNONCSA-N 324.405 4.086 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)c(C)c1 18192287 BZHFOPRUBSDGHY-ZROIWOOFSA-N 314.435 4.447 10 40 DICB CN(C)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1 256756784 LNIGBQNXJNNICD-UHFFFAOYSA-N 321.178 4.031 10 40 DICB COc1ccc(/N=N/c2cc3c(C)cc(=O)oc3cc2O)cc1 4109570 ODTDEBPPPNCAQJ-VHEBQXMUSA-N 310.309 4.231 10 40 DICB biogenic Cc1cccc(NC2=NC(=O)/C(=C\c3ccccc3C)S2)c1 11640025 QTOKBZAYTOTCEM-LFIBNONCSA-N 308.406 4.386 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(F)cccc1Cl 208713952 XXTYXEDKSUMEDJ-RAXLEYEMSA-N 314.747 4.285 10 40 DICB COc1ccc(C2Nc3cccc4cccc(c34)N2)c(OC)c1 70453993 DERHZCVERKCQBD-UHFFFAOYSA-N 306.365 4.393 10 40 DICB Cn1nc(C(F)(F)F)c(/N=N/c2ccc(Cl)cc2)c1O 100271611 AFGKTNZAETYYCH-WUKNDPDISA-N 304.659 4.213 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 409150793 DXQMVOZYLODRDA-IIDMSEBBSA-N 307.353 4.125 10 40 DICB CC(=O)c1ccc(/N=N/c2c(O)ccc3c(C)cc(=O)oc23)cc1 4863439 OSJXWMRTIVBFIL-FMQUCBEESA-N 322.320 4.425 10 40 DICB CCOC(=O)[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@H]12 58850632 WUWVOCISOPPCDO-TVLCNXBWSA-N 312.196 4.010 10 40 DICB O=C1NC(=S)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 15906543 NHMZPDRAZRNWKW-GHXNOFRVSA-N 305.355 4.210 10 40 DICB COc1cc(/N=N/c2ccc(C)c(Cl)c2)cc(CO)c1O 70461984 NPOINUKHCFSHEB-ISLYRVAYSA-N 306.749 4.270 10 40 DICB CN(Cc1ccc(N(C)C)cc1)Cc1c(O)ccc2ccccc12 7779146 LPDUKSYCCGDWFD-UHFFFAOYSA-N 320.436 4.243 10 40 DICB CCc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 13547668 BAMNDGQIQSHXOV-SSZFMOIBSA-N 314.454 4.095 10 40 DICB Cc1ccc(/N=N\[C@@H]2Sc3nc4ccccc4n3C2=O)cc1 104024825 YLCDAROTTKWUKZ-ORIGZDJFSA-N 308.366 4.201 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 6960329 SQUCJERBCKRZFQ-DOXZYTNZSA-N 320.392 4.003 10 40 DICB Cc1ccc(-n2c(C)cc(C(=O)CN3CCC(C)CC3)c2C)cc1 90258 LWWTYDBLCYDFNH-UHFFFAOYSA-N 324.468 4.317 10 40 DICB Oc1ccc2cc(Br)ccc2c1CN1CCCCC1 6985492 DDDYMYDWOVVAGW-UHFFFAOYSA-N 320.230 4.294 10 40 DICB CN(Cc1cc2c(cc1O)CCC2)Cc1c(F)cccc1Cl 36392004 HDOWUCNBLABORO-UHFFFAOYSA-N 319.807 4.305 10 40 DICB O=Cc1ccc(CCc2ccccc2)n1Cc1ccc(F)cc1 226028926 PAFWPBGQEWZAKW-UHFFFAOYSA-N 307.368 4.273 10 40 DICB CN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 9188397 UZJBGONTPHLHAC-PTNGSMBKSA-N 311.431 4.185 10 40 DICB Cc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 16291523 FFTUHEHYJVENEZ-PTNGSMBKSA-N 311.431 4.401 10 40 DICB Cc1ccccc1/C=C1\SC(Nc2ccc(F)cc2)=NC1=O 16745741 JHBVZLBBVANHSY-GDNBJRDFSA-N 312.369 4.217 10 40 DICB CN(Cc1ccc(F)cc1F)Cc1c(O)ccc2ccccc12 24617120 JURDNSVFSCSTPL-UHFFFAOYSA-N 313.347 4.456 10 40 DICB Cn1c(-c2cccc(Cl)c2)cnc1NCc1ccccc1O 6609490 SWFTZLYODZEWRP-UHFFFAOYSA-N 313.788 4.058 10 40 DICB Cc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 26593244 WBFXKBKSBYRXDD-PTNGSMBKSA-N 311.431 4.401 10 40 DICB Cc1ccc(C2=C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1C 4713896 JNJJXYLWIQKWMZ-CXUHLZMHSA-N 321.332 4.193 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1 13389492 UQTHKOJLUAKIEL-RKVPGOIHSA-N 323.367 4.439 10 40 DICB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)NC1CCOCC1 95351903 QOJNUDMFSVIWDI-QURGRASLSA-N 324.384 4.403 10 40 DICB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccccc1Cl 41514441 JLEWUXUPGALQFV-UHFFFAOYSA-N 301.695 4.493 10 40 DICB CC(=C\c1ccccc1)/C=C1/SC(Nc2cccnc2)=NC1=O 27533673 XQWFQRNOZYZXFI-WFVPKAAFSA-N 321.405 4.110 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2 409154672 HFZXILJZBOWVAM-LPMFXHHGSA-N 321.376 4.220 10 40 DICB Cc1ccc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)o1 90972 FXMTUIJSEHVINP-DHDCSXOGSA-N 312.394 4.287 10 40 DICB CC1CCN(c2ccc([C@H](C)NC(=O)C3CCCC3)cc2)CC1 225570950 LGHDXJMTCPQQAK-INIZCTEOSA-N 314.473 4.290 10 40 DICB O=C1c2ccccc2C(=O)C1c1ccc2ccc(Cl)cc2n1 100480357 CPWXKNCEMXHNNK-UHFFFAOYSA-N 307.736 4.051 10 40 DICB CN(C)c1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)cc1 249579 CPIPUGKYUMUGFT-UHFFFAOYSA-N 322.456 4.469 10 40 DICB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21 4132271 WQNGPYKUGFGUOM-MPGHIAIKSA-N 322.364 4.430 10 40 DICB CCc1cccc(NCc2cc(Br)ccc2O)c1 44836131 QMDFXBPWDWIVKQ-UHFFFAOYSA-N 306.203 4.329 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 409157612 RILJJSJBUAFIQJ-GPMSIDNRSA-N 320.392 4.003 10 40 DICB CCc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 44845475 YEYNMAFNWJLLLA-UHFFFAOYSA-N 323.440 4.171 10 40 DICB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCCC3)cc2)C1 260843192 OYKXSWSMDASOIY-JKSUJKDBSA-N 314.473 4.290 10 40 DICB COc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 1229523 OSICTFVGWMISBJ-VKJFTORMSA-N 322.364 4.430 10 40 DICB O=C1/C(=C\Nc2ccccc2)SC(=S)N1C1CCCCC1 100529869 TUWUUOYYFGPBGZ-SDNWHVSQSA-N 318.467 4.133 10 40 DICB COc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1C 29656412 QYPWFWRWRRCIIO-OAQYLSRUSA-N 318.420 4.278 10 40 DICB CCCCN1c2cc(OC)c(CNC)cc2[C@H](C)CC1(C)C 260725398 VWLQHUPCCKGTAW-CQSZACIVSA-N 304.478 4.307 10 40 DICB COc1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 13389523 IPNOZTJAHBNSAK-IIDMSEBBSA-N 321.376 4.220 10 40 DICB CCOC(=O)/C=C/C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4195937 QMGBBOZZVQYHBB-TUHJNPCUSA-N 323.352 4.160 10 40 DICB CC(C)n1cc(/C=C2\SC(S)=NC2=O)c2ccccc21 6348044 QPIBPYJUSYORHM-QPEQYQDCSA-N 302.424 4.122 10 40 DICB CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)CC)C2=O)cc1 16805169 GTQCXWCIEHCABK-IWQAVIMZSA-N 321.467 4.085 10 40 DICB O=C(O)c1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21 409156638 LHPPALLBXHLORC-ZJNRKIDTSA-N 309.340 4.350 10 40 DICB COc1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4697691 HQFYDZBANYJBNB-DAYGRLMNSA-N 322.364 4.430 10 40 DICB CCOc1ccc(C2=C/C(=C/c3cccc(OC)c3)C(=O)O2)cc1 4866031 BUZLOOUETJSPNS-WJDWOHSUSA-N 322.360 4.075 10 40 DICB Cn1c(/C=C2/C(=O)Nc3ccccc32)ccc1-c1ccccc1 67300025 BJKPXLBYRGRPOG-GHRIWEEISA-N 300.361 4.185 10 40 DICB Cc1ccc(/N=N/[C@H]2Sc3nc4ccccc4n3C2=O)cc1 104024819 YLCDAROTTKWUKZ-HLAUDOPJSA-N 308.366 4.201 10 40 DICB COc1cc(/N=N/c2ccc(Cl)cc2C)cc(CO)c1O 70461980 OXVSJCBHCSYHCN-ISLYRVAYSA-N 306.749 4.270 10 40 DICB CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S 3893757 BANRPOCAYKWTNY-UVTDQMKNSA-N 315.419 4.168 10 40 DICB Cc1cc(O)c(CN(C)Cc2c(F)cccc2Cl)cc1C 7100381 UETSCAAAFLFGPW-UHFFFAOYSA-N 307.796 4.434 10 40 DICB NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 4459086 YMCZVBKCPVOUFC-DAYGRLMNSA-N 324.811 4.265 10 40 DICB COc1cccc(CN(C)Cc2c(O)ccc3ccccc23)c1 3378542 RSHAOMLRIJFHIU-UHFFFAOYSA-N 307.393 4.186 10 40 DICB Cc1cc([C@H]2CCCCCN2Cc2cc(Cl)ccc2O)on1 19120229 GYSKLUJTQGEWCR-OAHLLOKOSA-N 320.820 4.459 10 40 DICB O=C(O)CSC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 104229359 AYVDJNSQVAPOCN-ZCXUNETKSA-N 315.354 4.452 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc(C)ccc1C 16292695 KAPZRZXSTIUFFB-PDGQHHTCSA-N 319.408 4.330 10 40 DICB CCCCCCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1 19736550 QUHCGXBJKKZLKV-UHFFFAOYSA-N 312.413 4.480 10 40 DICB CCN(CC)c1ccc(-c2nc3cc(Cl)cnc3[nH]2)cc1 5247181 OBYHEHBGWVPGSU-UHFFFAOYSA-N 300.793 4.125 10 40 DICB O=[N+]([O-])c1ccc(/N=N/Nc2ccccc2Br)cc1 5514651 HAJLRFNHJKMKMR-UHFFFAOYSA-N 321.134 4.468 10 40 DICB COCCCNCc1cc(C)n(-c2cc(Cl)ccc2C)c1C 223673460 LXIZTZGXUWYLFK-UHFFFAOYSA-N 320.864 4.182 10 40 DICB CC(=O)c1ccc(/N=N/c2cc3c(C)cc(=O)oc3cc2O)cc1 4843821 KHQPMVMQZBAFHA-FMQUCBEESA-N 322.320 4.425 10 40 DICB CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 222734738 VUMNFWSWGHLGDJ-UHFFFAOYSA-N 310.441 4.080 10 40 DICB Cc1cc(C(=O)N2CCC(C)CC2)c(C)n1-c1ccc(F)cc1 6507248 RBDWITRZTOAEIG-UHFFFAOYSA-N 314.404 4.105 10 40 DICB COc1ccc([N+](=O)[O-])cc1-n1c(C)ccc1-c1ccccc1 8413198 CXKZCHQZRVPMHA-UHFFFAOYSA-N 308.337 4.370 10 40 DICB CCc1ccc(O)c(/N=N/c2cc([N+](=O)[O-])ccc2OC)c1 96609287 FBYPZUABEDKMFT-WUKNDPDISA-N 301.302 4.287 10 40 DICB CCc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1 508202 BAMNDGQIQSHXOV-DTQAZKPQSA-N 314.454 4.095 10 40 DICB COc1cccc(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)c1 4852800 QVBJRFXGZQZANG-YBEGLDIGSA-N 306.361 4.293 10 40 DICB CC(C)c1cc(/C=C2/SC(=S)NC2=O)cc(C(C)C)c1O 145398550 COEMJFJCGZZITG-NTUHNPAUSA-N 321.467 4.128 10 40 DICB CCOc1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc1 18063993 UBJOKPLXGCTSSS-JLHYYAGUSA-N 321.467 4.085 10 40 DICB COc1ccc2c(/C=C3\C(=O)Nc4cc(Cl)ccc43)c[nH]c2c1 62001367 VJRYJOKQCULPTN-UUASQNMZSA-N 324.767 4.323 10 40 DICB biogenic Cc1cccc(C)c1NC1=NC(=O)/C(=C/c2ccccc2)S1 211895428 XZYPSTLVBKYDSN-PTNGSMBKSA-N 308.406 4.386 10 40 DICB CCn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21 574972 RFFSRQFJMRQNRY-SFQUDFHCSA-N 302.377 4.178 10 40 DICB Oc1c([C@H](c2ccccc2)N2CCCC2)ccc2cccnc12 45944490 DMPJVOWKYCKFJN-IBGZPJMESA-N 304.393 4.126 10 40 DICB CCCOC(=O)c1ccc(/N=N/c2ccc(O)c(C=O)c2)cc1 70462710 XACGUWCSNZLAAQ-VHEBQXMUSA-N 312.325 4.187 10 40 DICB Nc1c(C(=O)O)sc2nc(-c3ccccc3)c3c(c12)CCCC3 20814343 IMAZFPSEIOKCMU-UHFFFAOYSA-N 324.405 4.123 10 40 DICB aggregator CN(Cc1nc2ccccc2s1)Cc1cc2c(cc1O)CCC2 12861784 WIKUHLCGYZVXST-UHFFFAOYSA-N 324.449 4.123 10 40 DICB CCOc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1 4603836 UBYWEXOXVQQOJO-ATVHPVEESA-N 306.361 4.375 10 40 DICB CCOc1ccccc1NCc1cc(Br)ccc1O 44836151 LVRXIAZFYUXWPZ-UHFFFAOYSA-N 322.202 4.166 10 40 DICB Cc1ccc(-c2cnc(NCc3ccccc3O)n2C)cc1C 6565399 VGIRNKCKDGYAKL-UHFFFAOYSA-N 307.397 4.022 10 40 DICB CC1=NNC(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 100869484 BYHWCLBXJKGXOC-YRNVUSSQSA-N 321.163 4.143 10 40 DICB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S 5123827 BANRPOCAYKWTNY-GXDHUFHOSA-N 315.419 4.168 10 40 DICB Oc1ccc2ccccc2c1CN1CCC[C@H](C(F)(F)F)C1 6639783 RCPBAZFNODVCKC-ZDUSSCGKSA-N 309.331 4.320 10 40 DICB CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccco1 27532562 DKTQLQTZLQADLX-ZSOIEALJSA-N 321.163 4.393 10 40 DICB O=C(c1cc2c(cc1/N=N/c1ccccc1)OCCO2)C1CC1 20096386 CTDFILZBURZQEF-FMQUCBEESA-N 308.337 4.466 10 40 DICB Oc1c([C@@H](c2ccc(F)cc2)N2CCCC2)ccc2cccnc12 67244 ASXOSTOFHSBSSS-LJQANCHMSA-N 322.383 4.265 10 40 DICB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 4959397 PPSSEIXYXUAHHI-FCEWJHQRSA-N 322.364 4.430 10 40 DICB Cc1ccc(Nc2cc(C)nc(Nc3ccc(N)cc3)n2)cc1 206578526 NBCBAJLHXOEKIV-UHFFFAOYSA-N 305.385 4.163 10 40 DICB CCCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S 2666853 QJOWEXGSLBEFSJ-RAXLEYEMSA-N 309.431 4.217 10 40 DICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1 13282658 YXANXHLFZHOLJU-WJDWOHSUSA-N 311.772 4.059 10 40 DICB O=C1/C(=C\c2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 408973835 VPHMXMASSOWPHT-KAMYIIQDSA-N 316.282 4.035 10 40 DICB O=C(O)c1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]21 409156635 LHPPALLBXHLORC-FHSNZYRGSA-N 309.340 4.350 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(O)c3)S2)c(C)c1 89614142 JSVCCNGWVLQBEL-YBEGLDIGSA-N 324.405 4.091 10 40 DICB COc1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409160621 VADHUCMUCUAHJT-VBHSOAQHSA-N 321.376 4.220 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1 4320912 GOECRXXHYNEYRF-BXWFABGCSA-N 323.367 4.439 10 40 DICB COc1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4140450 LFUBJNKOGZYMIF-MUKKUYKPSA-N 322.364 4.430 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C\c3ccc(F)cc3)S2)c1 4464532 DYQPBULMVUSWQT-XNTDXEJSSA-N 312.369 4.217 10 40 DICB CCOC(=O)C1=C(C)Nc2cc(C(F)(F)F)ccc2S1 2474593 KURCJVZHJQCRSH-UHFFFAOYSA-N 303.305 4.018 10 40 DICB COc1ccccc1/C=C1\C=C(c2ccc(C)c(C)c2)OC1=O 409053544 ZIBDAQALUIEYJF-GZTJUZNOSA-N 306.361 4.293 10 40 DICB CCn1c(/N=N/c2ccc(OC)cc2OC)nc2ccccc21 4815932 DDCYYEIYIAOOSP-FMQUCBEESA-N 310.357 4.489 10 40 DICB Nc1ccc(OCc2ccc(COc3ccc(N)cc3)cc2)cc1 2504070 YDXRFFKKLAZKND-UHFFFAOYSA-N 320.392 4.009 10 40 DICB CCOc1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1 5372260 UBJOKPLXGCTSSS-RAXLEYEMSA-N 321.467 4.085 10 40 DICB Clc1ccccc1/N=N/N1CCN(c2ccccc2)CC1 17061342 ZHHILZPCGKPEHG-VHEBQXMUSA-N 300.793 4.161 10 40 DICB CCc1cccc(C)c1N/C=C1/C(=O)N(c2ccccc2)N=C1C 44827024 HJEAYUAVWZPKDR-QGOAFFKASA-N 319.408 4.276 10 40 DICB Cc1ccc(-c2noc([C@H](C)Sc3nccs3)n2)cc1F 52914277 TXGBUYTXXJBAIY-VIFPVBQESA-N 321.402 4.494 10 40 DICB CCCOc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 409079295 JDRDLGKZXBYASK-XMHGGMMESA-N 320.392 4.282 10 40 DICB C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C1 547813 KLMPCECSMQECAK-HOXUKUGESA-N 320.845 4.042 10 40 DICB Cc1ccc(-c2ccc(CCC(=O)O)n2Cc2ccco2)cc1 559538 PPETXUUELUSVHS-UHFFFAOYSA-N 309.365 4.122 10 40 DICB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(C)c(C)c1 408532139 PTOWBHKTPCUGHZ-UNOMPAQXSA-N 319.408 4.330 10 40 DICB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@@H]21 4140409 MPBOJZCDSRXYFC-CKFHNAJUSA-N 321.376 4.220 10 40 DICB CCN(CC)c1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1 559614 PHEFTLCWBQSJOH-UHFFFAOYSA-N 323.396 4.299 10 40 DICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(F)cc1 6556867 VPDXKAKSNFZHIJ-WOJGMQOQSA-N 323.371 4.161 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 6960477 HMFSVPKACFXCBR-FRQCXROJSA-N 320.392 4.003 10 40 DICB O=C1CCCc2c1cc(-c1ccccc1)n2-c1ccc(O)cc1 351658 LFPKTXQARQDQDT-UHFFFAOYSA-N 303.361 4.369 10 40 DICB CSc1ccc(/C=C2\C=C(c3cccs3)OC2=O)cc1 465659 ACLPXHQUBWXASF-FMIVXFBMSA-N 300.404 4.451 10 40 DICB O=C(O)c1cccc2c1N[C@@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 4499128 HNGWMZYTSLWJBN-XWCIJXRUSA-N 309.340 4.350 10 40 DICB Cc1ccsc1/C=C1\SC(Nc2ccc(F)cc2)=NC1=O 8238612 QLZRRPKZVSFULB-JYRVWZFOSA-N 318.398 4.278 10 40 DICB CCN1C(=O)/C(=C\C=C\c2ccccc2Cl)SC1=S 13602887 BQGRWBGUZRUKOV-SWCFZJNMSA-N 309.843 4.117 10 40 DICB COc1ccc(Br)cc1-c1nc(CN=[N+]=[N-])c(C)o1 67172479 AXDIONUULPPCGO-UHFFFAOYSA-N 323.150 4.231 10 40 DICB CCN(/N=N\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 100535338 JRXDEALGVALZNT-NXVVXOECSA-N 315.289 4.028 10 40 DICB Oc1ccc2ccncc2c1CN1CCC[C@H]1c1ccccc1 14182759 HISFUCNELRQKCM-IBGZPJMESA-N 304.393 4.278 10 40 DICB CC(C)(C)/C=C\N/N=N/c1ccccc1C(=O)NC(C)(C)C 8651629 OGOHNRVVDPCSAW-QXMHVHEDSA-N 302.422 4.363 10 40 DICB COc1cccc(-n2c(C)ccc2-c2cccc([N+](=O)[O-])c2)c1 199732716 YCHKXAWXWSYUIO-UHFFFAOYSA-N 308.337 4.370 10 40 DICB Cc1cccc(N2C(=O)/C(=C/c3cccs3)SC2=S)c1 1252296 SDLCMABJCLRFDX-LCYFTJDESA-N 317.460 4.462 10 40 DICB CC(C)(C)C(=O)Nc1sc(-c2ccccc2)cc1C(=O)O 235341 FYSJMBFGDRCTPR-UHFFFAOYSA-N 303.383 4.098 10 40 DICB COc1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4697690 HQFYDZBANYJBNB-MPGHIAIKSA-N 322.364 4.430 10 40 DICB CC(C)C[C@@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5529151 JULJLHNDMPMRHL-QGZVFWFLSA-N 308.381 4.299 10 40 DICB COc1ccc(N2CCC(N[C@@H](C)c3ccccc3C)CC2)cc1 95967116 XLUZUCYVIXICCO-KRWDZBQOSA-N 324.468 4.323 10 40 DICB O=[N+]([O-])c1ccc(O)c(CNc2ccc(Cl)cc2Cl)c1 255189522 QJBCGHFGRSKIAS-UHFFFAOYSA-N 313.140 4.219 10 40 DICB Cc1cccnc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 6821268 FHUSTCORGNYPMP-UHFFFAOYSA-N 305.381 4.050 10 40 DICB CCc1noc(CNc2cc3oc4ccccc4c3cc2OC)n1 95953292 FXCYKSSDGKVOJW-UHFFFAOYSA-N 323.352 4.152 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 226790550 PBKJMCGUCIECBK-GPMSIDNRSA-N 305.377 4.300 10 40 DICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(C)cc1 6204209 HYJAIZZAFCKEQH-XDHOZWIPSA-N 319.408 4.330 10 40 DICB CCOc1cccc(CNc2ccc(C(F)(F)F)cc2)c1O 44836420 FNIXYBDUIRDFQP-UHFFFAOYSA-N 311.303 4.422 10 40 DICB CC(C)C(=O)C[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 105628609 PDACVZDJRCAICM-QGZVFWFLSA-N 320.388 4.081 10 40 DICB CCCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21 3643109 YHEZQYCBLMNURC-UHFFFAOYSA-N 308.429 4.124 10 40 DICB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(O)cc2)S1 35042471 VUCYFCQSXHPLDC-LFIBNONCSA-N 324.405 4.037 10 40 DICB O=c1oc2c(/N=N/c3ccccc3)c(O)ccc2c2c1CCC2 5006812 UDFXVZADNYNKTH-FMQUCBEESA-N 306.321 4.403 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccccc1Cl 16160844 JUTILJRCPUCLTP-KAMYIIQDSA-N 311.772 4.059 10 40 DICB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]32)c1 13389161 JRAQFPDPZOUMRM-MDZRGWNJSA-N 321.376 4.220 10 40 DICB Cc1ccc2nc(-c3ccccn3)c(Nc3ccccc3)n2c1 3909781 CVANKQVPCGDSFB-UHFFFAOYSA-N 300.365 4.448 10 40 DICB CCOc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1 88843 XSAUGDAIWQVMPP-RVDMUPIBSA-N 310.324 4.206 10 40 DICB C(=C/c1nccc2ccccc12)\c1ccc(N2CCOCC2)cc1 36381124 XZAJTHUKMHRWSR-JXMROGBWSA-N 316.404 4.242 10 40 DICB CC1(C)CC(/N=N/C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 5295406 JGABCTOPITUPGM-FMQUCBEESA-N 308.514 4.057 10 40 DICB O=C1/C(=C\c2ccsc2)SC(=S)N1c1ccccc1 192565083 FEFBLHBUNXSMAX-XYOKQWHBSA-N 303.433 4.154 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C\c3cccs3)S2)c1 5547730 WSCBLVGRDSUBDR-UKTHLTGXSA-N 300.408 4.139 10 40 DICB Oc1ccc(Br)cc1CNc1cc(F)cc(F)c1 44836196 FRUYGPIZIWHCIJ-UHFFFAOYSA-N 314.129 4.045 10 40 DICB CCCCCCOc1ccccc1/C=C1\SC(=S)NC1=O 3902686 IBMGVDCACDSKIY-KAMYIIQDSA-N 321.467 4.135 10 40 DICB Cc1cc(C)c2ccc(C3C(=O)c4ccccc4C3=O)nc2c1 100647954 KNRSLMDMFAKVOG-UHFFFAOYSA-N 301.345 4.014 10 40 DICB Cc1cccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c1 408947093 NRCNNUIFQMOAOC-UHFFFAOYSA-N 305.377 4.470 10 40 DICB O=C(O)c1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@@H]21 409174611 VQMLKXLUYYZUGT-NVGCLXPQSA-N 309.340 4.350 10 40 DICB Cc1cccc(/N=N\[C@H]2Sc3nc4ccccc4n3C2=O)c1 103994588 LMFXTIUQSZPCFH-JGWKNBOWSA-N 308.366 4.201 10 40 DICB O=C1OC(c2ccc(F)cc2)=C/C1=C/c1cccc(Cl)c1 465280 JYXKYGDCSHEVJZ-JYRVWZFOSA-N 300.716 4.460 10 40 DICB CC(C)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 2348337 DEGQQXDDHNXZCL-WDZFZDKYSA-N 315.822 4.089 10 40 DICB COc1cc(/N=N/c2sc(N)nc2C)c(OC)cc1Cl 16953664 IYAWCVXYNGGHJW-WUKNDPDISA-N 312.782 4.120 10 40 DICB COc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1 33301695 RDVYCDIPPRVBJY-LFIBNONCSA-N 306.361 4.293 10 40 DICB CCOc1cccc(CNc2ccccc2C(F)(F)F)c1O 44836416 XLFWFJGMQZBKMX-UHFFFAOYSA-N 311.303 4.422 10 40 DICB c1ccc(/N=N/c2ccc(OCC[n+]3ccccc3)cc2)cc1 230468826 JOZGGVNXJNCEGF-QZQOTICOSA-N 304.373 4.469 10 40 DICB CC1CCN(C2=NC(=O)/C(=C\c3ccccc3Cl)S2)CC1 4474719 PZCOYXFJLCLFMJ-GXDHUFHOSA-N 320.845 4.042 10 40 DICB Oc1ccccc1[C@H](Nc1ccccn1)c1c[nH]c2ccccc12 19419691 CMPDNGISVJSAJF-FQEVSTJZSA-N 315.376 4.470 10 40 DICB Cc1cc(CO)c(C)n1-c1ccc(Cl)cc1Br 223706356 PTHUQPYUZJDAFV-UHFFFAOYSA-N 314.610 4.002 10 40 DICB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCCC3)cc2)C1 224858819 OYKXSWSMDASOIY-HZPDHXFCSA-N 314.473 4.290 10 40 DICB Cc1cccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)c1 2647553 QTBUIKPMAKDYDG-UHFFFAOYSA-N 310.441 4.465 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 409157618 RILJJSJBUAFIQJ-JTDSTZFVSA-N 320.392 4.003 10 40 DICB O=c1oc2ccc(Cl)cc2nc1Nc1ccc(Cl)cc1 255187842 HCJXIUWEXFEUSD-UHFFFAOYSA-N 307.136 4.238 10 40 DICB O=C(O)c1cc(/N=N/c2sc3ccccc3c2O)ccc1O 20120430 HTUWNZUGHBEZMU-WUKNDPDISA-N 314.322 4.426 10 40 DICB CCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1462123 JYLDJLHPPBLWHX-PTNGSMBKSA-N 313.447 4.451 10 40 DICB COc1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]21 20749191 IOULMYZLOXACCS-SNUQEOBHSA-N 322.364 4.430 10 40 DICB Cc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc(C)c1O 32789163 WBMBPJMNYDJDMC-GDNBJRDFSA-N 324.405 4.091 10 40 DICB Clc1ccccc1/N=N\N1CCN(c2ccccc2)CC1 104189663 ZHHILZPCGKPEHG-HNENSFHCSA-N 300.793 4.161 10 40 DICB CCOc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1 13940883 UBYWEXOXVQQOJO-SFQUDFHCSA-N 306.361 4.375 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3ccccc3)S2)c(C)c1 15349858 OYHKERQRVYGFMT-LFIBNONCSA-N 308.406 4.386 10 40 DICB CC(C)(C)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 5371842 WORNLWNZWDYCGG-FLIBITNWSA-N 311.859 4.340 10 40 DICB COc1cccc(NC(=O)c2ccccc2-n2c(C)ccc2C)c1 7468195 KLUJBIQQWYUEBC-UHFFFAOYSA-N 320.392 4.355 10 40 DICB CSc1ccc(CN(C)Cc2cc3c(cc2O)CCC3)cc1 33034005 JGRZPPQACLRFGN-UHFFFAOYSA-N 313.466 4.235 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 6963539 DXQMVOZYLODRDA-HDMKZQKVSA-N 307.353 4.125 10 40 DICB Cc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 16954480 ZIALJZWWYAOTSG-PTNGSMBKSA-N 311.431 4.401 10 40 DICB CC(C)C(=O)C[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 105628605 PDACVZDJRCAICM-KRWDZBQOSA-N 320.388 4.081 10 40 DICB Cc1cc2nccc(-c3ccc(-n4c(C)ccc4C)cc3)n2n1 1386315 LRVBIWSCUFWFQN-UHFFFAOYSA-N 302.381 4.112 10 40 DICB COc1ccc(N2CO[C@@H]3c4cccc5cccc(c45)[C@@H]32)cc1 4661574 BYQXURRZEZYMMJ-VQTJNVASSA-N 303.361 4.439 10 40 DICB C[C@H](NCc1cc(Br)ccc1O)c1ccc(F)cc1 40477073 HAWCKCYVZRRLNT-JTQLQIEISA-N 324.193 4.145 10 40 DICB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3cccs3)S2)c1 8410988 CULLZKYHQMCRMU-ZROIWOOFSA-N 314.435 4.447 10 40 DICB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2F)S1 16441042 JXWFUDMWMFPCID-XNTDXEJSSA-N 312.369 4.217 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C(\O)c1ccc(Cl)cc1 100147619 JJNBAEUKCLPUDP-NXVVXOECSA-N 312.756 4.032 10 40 DICB O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc(Cl)cc1 88875 NADKACHHBJNHNB-LCYFTJDESA-N 300.716 4.460 10 40 DICB Cc1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 12032467 PQDJKGYCOFRNTF-RVDMUPIBSA-N 311.431 4.401 10 40 DICB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 4959399 PPSSEIXYXUAHHI-BXWFABGCSA-N 322.364 4.430 10 40 DICB COc1cccc2nccc(/C=C/c3ccc(N(C)C)cc3)c12 36381228 HHMBNJVUDHMGSO-JXMROGBWSA-N 304.393 4.480 10 40 DICB CCc1ccc(NC2=NC(=O)/C(=C\C=C\c3ccco3)S2)cc1 5372770 CQPQPCHZLCURJG-FWPHUCDGSA-N 324.405 4.481 10 40 DICB COc1ccc(/C=C\C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 100354009 OUXKHRHTBMBHHH-MZPIXFPESA-N 318.376 4.058 10 40 DICB CCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 1576539 FZJXJUPQVOAASE-UHFFFAOYSA-N 303.361 4.013 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 226843391 DTESZWMJUGQZQJ-LPMFXHHGSA-N 322.364 4.430 10 40 DICB O=C1CSC(=S)N1c1ccc(/N=N\c2ccccc2)cc1 104191876 XVKHHVNADOPSOC-MSUUIHNZSA-N 313.407 4.467 10 40 DICB O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1ccco1 5127236 RHGMYWGGRGAMLL-XYOKQWHBSA-N 304.758 4.015 10 40 DICB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 20757589 WMKWGUQKULHQAR-HBUWYVDXSA-N 322.364 4.430 10 40 DICB COc1ccccc1[C@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@@H]21 1461847 MPBOJZCDSRXYFC-NJSLBKSFSA-N 321.376 4.220 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C)cc1C 439695 YXVNXTGYHWECJJ-ATVHPVEESA-N 305.381 4.022 10 40 DICB O=C1N=C(Nc2cccc(F)c2)S/C1=C\C=C\c1ccco1 5374531 SLFBLMOLKCDGCO-NTOUICHMSA-N 314.341 4.057 10 40 DICB CCc1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)cc1 6570426 JBSDQPRQYSVAKN-UVTDQMKNSA-N 314.435 4.393 10 40 DICB Cc1ccc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 226241400 IBDQWHOUPJCQCP-UHFFFAOYSA-N 311.385 4.116 10 40 DICB O=C1C(=C2CCCCC2)SC(=S)N1Cc1ccccc1 2345083 QNWZLQJTPYSOPS-UHFFFAOYSA-N 303.452 4.265 10 40 DICB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1N=[N+]=[N-] 9553606 FEJJGCPVFIJXGV-SUMWQHHRSA-N 306.369 4.473 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 226790541 PBKJMCGUCIECBK-JTDSTZFVSA-N 305.377 4.300 10 40 DICB Cc1cc(C=O)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 7278040 JFHRTWOKOIHJTQ-UHFFFAOYSA-N 320.348 4.482 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)cc3)S2)c(C)c1 16440763 HIXYOIFOCFRPCL-MHWRWJLKSA-N 324.405 4.091 10 40 DICB O=c1cc(-c2ccc(O)c(O)c2)oc2c1ccc1ccccc12 39294 AHSWGZBFVRIGHJ-UHFFFAOYSA-N 304.301 4.024 10 40 DICB biogenic O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccccc1 13476474 LZYHDFCLWZOABI-GXDHUFHOSA-N 315.394 4.232 10 40 DICB COc1c(C)cc(O)c(-c2c(O)c(O)cc3ccccc23)c1C 169796270 JUCSZAFGUQJSJD-UHFFFAOYSA-N 310.349 4.249 10 40 DICB C(=C/c1ccc2ccccc2n1)\c1ccc(N2CCOCC2)cc1 6623602 AKAGGWSNVWAIRP-WEVVVXLNSA-N 316.404 4.242 10 40 DICB CCc1nnc(CNc2cc3oc4ccccc4c3cc2OC)o1 71185336 BDZZTYVQDHTFCX-UHFFFAOYSA-N 323.352 4.152 10 40 DICB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4333654 DQMLXAJMYIWCKH-VBQJREDUSA-N 309.340 4.350 10 40 DICB O=C1NC(=S)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 13382263 QRVTWPJZFXYJFK-GHXNOFRVSA-N 321.810 4.089 10 40 DICB CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccccc2)N=C1C 112109506 QLUXRSDZDOXYOC-RGEXLXHISA-N 319.408 4.358 10 40 DICB Cc1cnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)s1 10557083 FUGVYVAFDMYOAA-UHFFFAOYSA-N 311.410 4.111 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)O)N2 409154678 HFZXILJZBOWVAM-TYILLQQXSA-N 321.376 4.220 10 40 DICB Oc1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 542929 RCQMGOPOWXBCGF-FQEVSTJZSA-N 313.360 4.381 10 40 DICB CCCN1C(=O)/C(=C(\C)c2ccc(C)c(C)c2)SC1=S 54360646 LTSOVQUGOWZSON-OWBHPGMISA-N 305.468 4.305 10 40 DICB O=C1N=C(N2CCCCCC2)S/C1=C\c1cccc(Cl)c1 48512984 CCTYDJXMFMHUSA-KAMYIIQDSA-N 320.845 4.186 10 40 DICB CCOc1ccc(C2=C/C(=C/c3ccccc3OC)C(=O)O2)cc1 200054 CYLXDJGHTVUXJH-VBKFSLOCSA-N 322.360 4.075 10 40 DICB COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1C 483137 RMMZQEPDFYAPCB-BOPFTXTBSA-N 323.417 4.373 10 40 DICB COc1ccc(-c2csc(Nc3ccc(N)cc3)n2)cc1C 784479 SDVNJFIKXDVNPR-UHFFFAOYSA-N 311.410 4.453 10 40 DICB Cc1cc(C)c2c(NCc3c(O)ccc4ccccc34)n[nH]c2n1 12154421 WLAQBOCXYDWCJG-UHFFFAOYSA-N 318.380 4.046 10 40 DICB O=C1CSC(=S)N1c1ccc(/N=N/c2ccccc2)cc1 18177407 XVKHHVNADOPSOC-WUKNDPDISA-N 313.407 4.467 10 40 DICB Cc1ccc(C2=C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1C 409053010 VYVSSVQCKBPOQT-MHWRWJLKSA-N 321.332 4.193 10 40 DICB Cc1ccc(/C=C2/SC(Nc3ccccc3F)=NC2=O)cc1 8549893 XTCPALNXACKOCY-XNTDXEJSSA-N 312.369 4.217 10 40 DICB O=Cc1cc(/N=N/c2ccc(Br)cc2)ccc1O 70461972 DHCSPWPNILUEPW-FOCLMDBBSA-N 305.131 4.383 10 40 DICB O=C(OCc1ccno1)c1ccccc1/N=N/c1ccc(O)cc1 71796218 BHHRFKUFTHENBG-FMQUCBEESA-N 323.308 4.153 10 40 DICB COCCCNCc1cc(C)n(-c2ccc(Cl)cc2C)c1C 223672918 OOYBLXQPQZQZKJ-UHFFFAOYSA-N 320.864 4.182 10 40 DICB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccc(Cl)cc1 1151414 LYDDWYSYMSDXMD-WQLSENKSSA-N 320.826 4.074 10 40 DICB CCCn1c(NC(=O)Nc2ccc(OC)cc2)nc2ccccc21 27923656 XZKCHWAXWSDOJD-UHFFFAOYSA-N 324.384 4.099 10 40 DICB CCOc1cccc(CNc2cccc(Br)c2)c1O 19941750 VTZCTSGMFCZBQN-UHFFFAOYSA-N 322.202 4.166 10 40 DICB Oc1ccc([C@H](Cc2ccccc2)NCc2ccccc2)c(O)c1 31923713 UBNQKBDIMHVEPC-FQEVSTJZSA-N 319.404 4.171 10 40 DICB Cc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1 1192330 WEURWEAOKJAORJ-LCYFTJDESA-N 317.460 4.462 10 40 DICB O=C1S/C(=C\c2ccccc2O)C(=S)N1c1ccccc1 2711550 TYHOZYXTPOLMFV-UVTDQMKNSA-N 313.403 4.434 10 40 DICB COC(=O)c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1 4320910 GOECRXXHYNEYRF-FRQCXROJSA-N 323.367 4.439 10 40 DICB Cc1cc(C=O)c(C)n1-c1ccc(Br)cc1Cl 9261755 ZOJSZXZTOJZUIW-UHFFFAOYSA-N 312.594 4.323 10 40 DICB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(C)C)[C@@H]1CC=C[C@H]21 3998674 XGGJKNBTMWAYSB-ZENOOKHLSA-N 302.374 4.103 10 40 DICB Cc1ccc(C)c(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409051862 NQCQUJHRVXLJGI-XNTDXEJSSA-N 321.332 4.193 10 40 DICB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1C 225723734 ZLQARQRHYPYEEF-UHFFFAOYSA-N 322.452 4.224 10 40 DICB CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1 19736804 ZXTOHUBZLJDIMN-KBPBESRZSA-N 312.413 4.188 10 40 DICB NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 169678741 YMCZVBKCPVOUFC-IIDMSEBBSA-N 324.811 4.265 10 40 DICB COc1ccc2c(c1)CCCN2Cc1nc2ccccc2s1 27579034 SDVAKSWUAUQRNA-UHFFFAOYSA-N 310.422 4.258 10 40 DICB CCN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 13133011 HTOABIVQTINXDJ-FOCLMDBBSA-N 315.289 4.028 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(C)c(C)c1 95471544 IUINCWLEMRZGRM-UNOMPAQXSA-N 319.408 4.330 10 40 DICB O=[N+]([O-])c1ccccc1-c1ccc(C(=S)N2CCCCC2)o1 1453178 POEWMICVRKFUJY-UHFFFAOYSA-N 316.382 4.016 10 40 DICB COc1cc(N(C)C)c(OC)cc1/C=C1/C=Cc2ccccc21 17354422 CMFPYOKEZMUKHL-PTNGSMBKSA-N 307.393 4.337 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 409150593 CMDGJJCLNWBRGT-GPMSIDNRSA-N 323.367 4.439 10 40 DICB COc1ccc(NC(=O)C2=C(C)Nc3ccccc3S2)cc1 543892 HHFOFAUKOKYXRB-UHFFFAOYSA-N 312.394 4.083 10 40 DICB Cc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 1724762 ZIALJZWWYAOTSG-RVDMUPIBSA-N 311.431 4.401 10 40 DICB CCc1ccc(NC2=NC(=O)/C(=C\c3ccccc3)S2)cc1 35042433 PKHCKRLREGLULP-FOWTUZBSSA-N 308.406 4.331 10 40 DICB Clc1ccc(-c2noc(CSc3nccs3)n2)cc1 48874853 QBXSRQBHENRJTK-UHFFFAOYSA-N 309.803 4.139 10 40 DICB Cc1ccc(Nc2cc(Nc3ccc(N)cc3)nc(C)n2)cc1 206579856 ZIFIOINTHKIWBR-UHFFFAOYSA-N 305.385 4.163 10 40 DICB Cc1cc2nc(N[C@@H](C)c3ccccc3O)c3ccccc3n2n1 26707265 RHFLMLDZNKGLLE-ZDUSSCGKSA-N 318.380 4.070 10 40 DICB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 58850788 FYOVJMFXGZSGEG-ZRGWGRIASA-N 320.392 4.085 10 40 DICB CC(C)c1ccc(-c2ccc(C(=S)N3CCOCC3)o2)cc1 11689978 JEEGTMOMKSZYEN-UHFFFAOYSA-N 315.438 4.078 10 40 DICB COC(=O)c1sc(SCc2ccccc2)c(Cl)c1O 96510990 XUCRVCFMGWWOBJ-UHFFFAOYSA-N 314.815 4.186 10 40 DICB COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 226809555 KEPCIGSBSLGWOE-GJYPPUQNSA-N 322.364 4.430 10 40 DICB O=C(O)CCc1ccc(-c2ccccc2)n1CCc1ccccc1 559579 KOXLOYIBXHIAIT-UHFFFAOYSA-N 319.404 4.415 10 40 DICB Oc1cc2c(cc1CN1CC=C(c3ccccc3)CC1)CCC2 6209111 YNCVUPVFWSWRRZ-UHFFFAOYSA-N 305.421 4.170 10 40 DICB COc1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4140449 LFUBJNKOGZYMIF-ZXYWRSMDSA-N 322.364 4.430 10 40 DICB COc1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)c1 6954619 UYOFIZBMWGYAKB-DAYGRLMNSA-N 322.364 4.430 10 40 DICB Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 3799478 GZHHMAFXYHPHBO-UHFFFAOYSA-N 315.376 4.206 10 40 DICB in-vivo CC(C)(C)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 5371886 ZEBASPPMQOFYBE-FLIBITNWSA-N 311.859 4.340 10 40 DICB COc1cc(/N=N\c2sc(N)nc2C)c(OC)cc1Cl 104128587 IYAWCVXYNGGHJW-MSUUIHNZSA-N 312.782 4.120 10 40 DICB Cc1ccc(/N=N\c2c(N)nn3cc4c(nc23)CCCCC4)cc1 104226695 WTMISCAPNRMZAG-DQRAZIAOSA-N 320.400 4.304 10 40 DICB CCCN1c2cc(OC)c(CNCC)cc2[C@H](C)CC1(C)C 260722749 SCHPQPKUDSXCIR-CQSZACIVSA-N 304.478 4.307 10 40 DICB Cc1cccc(/N=N/[C@H]2Sc3nc4ccccc4n3C2=O)c1 103994593 LMFXTIUQSZPCFH-HLAUDOPJSA-N 308.366 4.201 10 40 DICB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccco1 100165163 KDGHLPCIZFMPQD-ZROIWOOFSA-N 320.270 4.105 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2 409154251 NFCMAZOVFIHHSA-IIDMSEBBSA-N 321.380 4.433 10 40 DICB CCOC(=O)[C@H]1CCCCC12Nc1cccc3cccc(c13)N2 4824384 RPMYZPHTRLHWMJ-CQSZACIVSA-N 310.397 4.127 10 40 DICB Cc1cc(Br)ccc1NCc1ccc(N(C)C)cc1 19905559 BNBHNZUAHTVFKQ-UHFFFAOYSA-N 319.246 4.436 10 40 DICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 101996601 VXRZGWAWDUYXCE-FHSNZYRGSA-N 309.340 4.350 10 40 DICB CC[C@H](N[C@@H](C)c1cn(C(C)(C)C)nc1C)c1ccccc1O 158143468 COGMSAJJBPHIMC-GUYCJALGSA-N 315.461 4.454 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C\C=C\c3ccco3)S2)c1 20227300 SQDCWOLXFMNZAJ-UVDQGBRZSA-N 310.378 4.227 10 40 DICB Nc1ccc(Oc2ccc3[nH]c(-c4ccc(N)cc4)nc3c2)cc1 176906 MSQPRVQOVXGUKK-UHFFFAOYSA-N 316.364 4.187 10 40 DICB CCCNCc1cc2c(cc1OC)N(CC)C(C)(C)C=C2C 223821160 OUJSOPOEYXBRES-UHFFFAOYSA-N 302.462 4.217 10 40 DICB COc1ccc(C(=O)Oc2ccc(-n3c(C)ccc3C)cc2)cc1 408739054 SENFBCLJUHUXKR-UHFFFAOYSA-N 321.376 4.322 10 40 DICB CC[C@@H](c1ccc(O)c(O)c1)[C@@H](CC)c1ccc(O)c(O)c1 1668369 SQJDIVYCVVFMOZ-KBPBESRZSA-N 302.370 4.196 10 40 DICB biogenic,in-vitro CCN(CC)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 226268852 JTTWXHQFPAQLJF-UHFFFAOYSA-N 311.341 4.249 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1 4172097 UQTHKOJLUAKIEL-VKJFTORMSA-N 323.367 4.439 10 40 DICB O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1Cl 4677112 YPCRMCCYLWJSEX-UHFFFAOYSA-N 300.789 4.193 10 40 DICB C[C@H](NC(=S)N(C)[C@@H](C)c1ccccc1O)c1ccccc1 44073896 ZAGNZGGGZVFWLT-KBPBESRZSA-N 314.454 4.021 10 40 DICB COC(=O)c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1 1461948 GOECRXXHYNEYRF-TXPKVOOTSA-N 323.367 4.439 10 40 DICB COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4140522 SIRAIUISTYRMQP-BXWFABGCSA-N 321.376 4.220 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C/c3ccsc3)S2)c(C)c1 3353580 WGWYGARVGVNBNW-ZSOIEALJSA-N 314.435 4.447 10 40 DICB CCOc1ccc(NCc2cc(Cl)ccc2O)c(OCC)c1 98212994 ROCAZOIEHPYBRD-UHFFFAOYSA-N 321.804 4.455 10 40 DICB COC(=O)c1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1 2488538 UQTHKOJLUAKIEL-RLFYNMQTSA-N 323.367 4.439 10 40 DICB Cc1ccc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)cc1 5214625 CDNXSRIPKSISHM-WJDWOHSUSA-N 308.406 4.386 10 40 DICB Cc1ccc(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1029143 FMGMIHJXCOBQNE-UHFFFAOYSA-N 309.325 4.190 10 40 DICB C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C1 547815 KLMPCECSMQECAK-RLIURORJSA-N 320.845 4.042 10 40 DICB Cc1ccccc1-n1c(C)cc(C(=O)Cn2cnc(C)c2C)c1C 89697016 MGHRPJHWUQRYPW-UHFFFAOYSA-N 321.424 4.099 10 40 DICB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)c1 4151331 JRAQFPDPZOUMRM-FCEWJHQRSA-N 321.376 4.220 10 40 DICB C(=C/c1nc2ccccc2s1)\c1ccc(N2CCOCC2)cc1 5130042 QNTNODUHWPAGCW-JXMROGBWSA-N 322.433 4.303 10 40 DICB Cc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 2701162 KOIYSFDNAAXVLR-UKTHLTGXSA-N 307.440 4.122 10 40 DICB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1N=[N+]=[N-] 20146100 FEJJGCPVFIJXGV-GUYCJALGSA-N 306.369 4.473 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1 4320911 GOECRXXHYNEYRF-FCEWJHQRSA-N 323.367 4.439 10 40 DICB CCn1c(NC(=O)Nc2ccc(Cl)cc2)nc2ccccc21 27923276 FXSYMGBASPOKEI-UHFFFAOYSA-N 314.776 4.354 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2 409164890 PFGCNXRRTGJVMR-RVKKMQEKSA-N 321.380 4.433 10 40 DICB Cc1cc(C(F)(F)F)n2nc(N)c(/N=N/c3ccccc3)c2n1 3849082 HCTRGCCYQATCPY-QZQOTICOSA-N 320.278 4.054 10 40 DICB Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1cc(C)ccc1O)N2 818031 AHXSRYQICMVUTA-IBGZPJMESA-N 305.381 4.153 10 40 DICB CCc1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc1 18063997 SINTWDUMJFNWHV-JLHYYAGUSA-N 305.468 4.249 10 40 DICB Cc1cc(/C=C\[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1 409008526 XLQNCWJBHJYFKB-SREVYHEPSA-N 310.275 4.360 10 40 DICB COC(=O)c1ccccc1C1Nc2cccc3cccc(c23)N1 70453941 ROYVNEYNYSNELA-UHFFFAOYSA-N 304.349 4.163 10 40 DICB Oc1ccc2ccccc2c1CN(Cc1ccncc1)C1CC1 7317792 YAWCMPRKRGEXLL-UHFFFAOYSA-N 304.393 4.105 10 40 DICB Cc1ccc(C)c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 225517309 IEYHUAQKGKXRKV-UHFFFAOYSA-N 322.452 4.224 10 40 DICB Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1 95836226 OYSNFLKQWNEFFK-UHFFFAOYSA-N 300.102 4.102 10 40 DICB Cc1ccc(C)c(C2=C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 409055342 YSGZYMYWUUVLOR-OQLLNIDSSA-N 321.332 4.193 10 40 DICB O=C(O)c1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@@H]21 409174610 VQMLKXLUYYZUGT-BWACUDIHSA-N 309.340 4.350 10 40 DICB COc1ccc(/N=N\c2cc(OC)c(OC)c(OC)c2)cc1 100405398 WPNPDCOAABPERN-ZCXUNETKSA-N 302.330 4.136 10 40 DICB Cc1nn(C(N)=S)c(-c2ccccc2)c1/N=N\c1ccccc1 104112398 REMSGPDULBFCHU-VXPUYCOJSA-N 321.409 4.366 10 40 DICB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 6275108 CHVYWJSVJUXERY-GJYPPUQNSA-N 321.376 4.220 10 40 DICB Cc1cccc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 226241391 BDFDKCBBPQRHKS-UHFFFAOYSA-N 311.385 4.116 10 40 DICB Cc1ccc(NCc2cc(Br)ccc2O)c(F)c1 44836234 VKRQYCREDWGKSX-UHFFFAOYSA-N 310.166 4.214 10 40 DICB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 408736111 FPHGUWDCVBCCDM-TYILLQQXSA-N 309.340 4.381 10 40 DICB Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1 1465337 OQFKCACNJXVXIG-UHFFFAOYSA-N 316.832 4.026 10 40 DICB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 4004279 SLSSOGBNYLVCRS-HDMKZQKVSA-N 309.340 4.350 10 40 DICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 8536302 JJTJAHVSHVGWMJ-HYZSBJHASA-N 306.340 4.188 10 40 DICB Cc1cc(C)n2nc(-c3sccc3-n3c(C)ccc3C)cc2n1 6216162 AJYZMDVFIADAED-UHFFFAOYSA-N 322.437 4.482 10 40 DICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 101281119 SLSSOGBNYLVCRS-VKJFTORMSA-N 309.340 4.350 10 40 DICB CCN(C1=NC(=O)/C(=C/C=C/c2ccco2)S1)c1ccccc1 5374560 KKMUMBPQQZEZLQ-GPIDLQMLSA-N 324.405 4.333 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(C)cc1C 95471565 JGWULSMTNSHRKV-PDGQHHTCSA-N 319.408 4.330 10 40 DICB CCN(CC)c1ccc(CNC(=O)Cc2cc(C)ccc2C)cc1 225257094 LSOHBHFTJMOSCJ-UHFFFAOYSA-N 324.468 4.009 10 40 DICB CCC(=O)N(Cc1ccccc1O)c1c(CC)cccc1CC 5658471 GCBMKKIBGHGHOL-UHFFFAOYSA-N 311.425 4.460 10 40 DICB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 6952946 WMKWGUQKULHQAR-PMUMKWKESA-N 322.364 4.430 10 40 DICB Oc1c([C@@H](Nc2ccccn2)c2ccco2)ccc2cccnc12 19898698 HVKVOEPTDGRNGU-GOSISDBHSA-N 317.348 4.130 10 40 DICB O[C@H](c1cc2c(cc1/N=N/c1ccccc1)OCCO2)C1CC1 39606201 QZQACLSPYVSZBM-NQKFGRBQSA-N 310.353 4.317 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21 409151530 HMFSVPKACFXCBR-JTDSTZFVSA-N 320.392 4.003 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(C(C)C)c1C 408963976 FAFTVCCJCGTHNB-UNOMPAQXSA-N 321.424 4.492 10 40 DICB Cc1cc(/C=C/C(=O)Nc2cccnc2)c(C)n1-c1ccccc1 15826880 IUAOTWBEENPHJE-ZHACJKMWSA-N 317.392 4.141 10 40 DICB COc1cc(/N=N/c2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1 4499373 BTSIFWXSKRSLQP-WUKNDPDISA-N 300.318 4.085 10 40 DICB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9188680 CDAAWPABAXPQPU-HKLRHMNMSA-N 315.419 4.242 10 40 DICB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)c2ccccc21 409111932 AKQPQOAHJQKJOF-CYVLTUHYSA-N 318.420 4.194 10 40 DICB Cc1cc(CO)c(C)n1-c1ccc(Br)c(Cl)c1 34772911 NMUPPJPWHJCSAN-UHFFFAOYSA-N 314.610 4.002 10 40 DICB O=C(O)[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@@H]21 4132234 JHGJAWDFYUSZLM-RLFYNMQTSA-N 307.349 4.017 10 40 DICB O=C1c2c(c(Cl)c3ccccc3c2O)C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 5706636 VIBFGGYPUAIUBG-DTVLGXAZSA-N 324.763 4.016 10 40 DICB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)c1 4151330 JRAQFPDPZOUMRM-FRQCXROJSA-N 321.376 4.220 10 40 DICB CCOc1ccc(-n2c(C)cc(-c3csc(N)n3)c2C)cc1 7763064 YBZHXKBYQXZTCC-UHFFFAOYSA-N 313.426 4.199 10 40 DICB CSc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 34878256 FYEUCFWEMCBYCZ-SFQUDFHCSA-N 308.406 4.215 10 40 DICB Cc1cccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)c1C 5374630 MWBJMPQCOVASEG-ZROIWOOFSA-N 314.435 4.037 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(C)cc1 5730472 RKUXIQJCMKOIGM-PDGQHHTCSA-N 305.381 4.022 10 40 DICB COC(=O)c1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21 6950642 AXPWJTYFBXKYOP-RLFYNMQTSA-N 323.367 4.439 10 40 DICB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCCCC2)c1 10091249 MMJVPMACVGCYNS-UHFFFAOYSA-N 316.832 4.374 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 13389464 JXLCUIWCBDHCOA-WDYCEAGBSA-N 305.377 4.300 10 40 DICB Cn1c2ccccc2c2c3c(ccc21)C(=O)c1ccccc1C3=O 4824192 OKHLYHMXZYGXJS-UHFFFAOYSA-N 311.340 4.107 10 40 DICB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)c1 1461845 JRAQFPDPZOUMRM-TXPKVOOTSA-N 321.376 4.220 10 40 DICB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccccc1Cl 5374659 XWOSXSBRUNYDNG-WQLSENKSSA-N 320.826 4.074 10 40 DICB O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(F)cc1 94888 BKIIYNRNITXFAN-UHFFFAOYSA-N 315.369 4.362 10 40 DICB Cc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 408944830 JRXQJWVIHKJGET-UHFFFAOYSA-N 305.377 4.470 10 40 DICB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(O)c2)cc1 269762 RXCUCOIAFYSJFU-UHFFFAOYSA-N 321.376 4.176 10 40 DICB Cc1ccc2c(ccc(/C=C/c3ccc(N(C)C)cc3)[n+]2C)c1 4123269 QOUGPSGIYUMILI-UHFFFAOYSA-N 303.429 4.209 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cc(C)cc(C)c1 44826964 TVEIXPLCXCMHOD-LDADJPATSA-N 305.381 4.022 10 40 DICB Clc1ccc(N2CCN(C3=Cc4ccccc4C3)CC2)cc1 55129526 LRGZCNPLVIFBJD-UHFFFAOYSA-N 310.828 4.059 10 40 DICB COC(=O)CCCC(=O)c1sc2ccc(Cl)cc2c1C 575362137 HGMINVFAYSCLNW-UHFFFAOYSA-N 310.802 4.389 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1c(C)cccc1C 4050478 SYDQBNVXAXRDHG-ATVHPVEESA-N 305.381 4.022 10 40 DICB Cc1ccc(C)n1-c1cccc(NC(=O)Cc2ccsc2)c1 12522792 SZHSJNPDZHEJQP-UHFFFAOYSA-N 310.422 4.337 10 40 DICB COc1ccc(/C=C/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 5657139 OUXKHRHTBMBHHH-XAUAACNYSA-N 318.376 4.058 10 40 DICB CCN(CC)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1 224558496 GVMSOJLFFAXMDS-UHFFFAOYSA-N 322.408 4.209 10 40 DICB CN(Cc1ccc(Cl)nc1)Cc1c(O)ccc2ccccc12 29886161 QPUJBNDUQOPRQA-UHFFFAOYSA-N 312.800 4.226 10 40 DICB Cc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3ccco3)c2C)cc1 25260738 YSIZJDWETYJSTN-HNNXBMFYSA-N 322.408 4.487 10 40 DICB O=c1oc2c(CN3CCCCCC3)c(O)ccc2c2ccccc12 142655 HYJRYLSDSHMEHF-UHFFFAOYSA-N 323.392 4.028 10 40 DICB CN(Cc1cccc(Cl)c1)Cc1cc2c(cc1O)CCC2 7981106 FRTFZOPHNWPFTJ-UHFFFAOYSA-N 301.817 4.166 10 40 DICB COc1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1C 15018312 YNUVILXKGWBEQY-WJDWOHSUSA-N 309.390 4.065 10 40 DICB CCCN1C(=O)/C(=C(\C)c2ccc(Cl)cc2)SC1=S 54360642 KCHIWVAXXJZLQQ-XFXZXTDPSA-N 311.859 4.341 10 40 DICB COc1ccc(O)c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)c1 71798573 AJPWEVVEYQPNPV-SECBINFHSA-N 322.748 4.136 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\C=C\c1ccccc1 4471209 WFGSCPLXPFCAII-CAMSTOTOSA-N 302.377 4.357 10 40 DICB Cc1cc(C(=O)CSc2ccccn2)c(C)n1-c1ccccc1 7180696 ZRKABAHUZDNURA-UHFFFAOYSA-N 322.433 4.464 10 40 DICB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(C)cc1C 100049649 KLQVCADYSBUVAV-NHKNDPDJSA-N 306.369 4.178 10 40 DICB CSc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 4591205 FYEUCFWEMCBYCZ-ATVHPVEESA-N 308.406 4.215 10 40 DICB O=C(Nc1cccc(N2CCCC2)c1)c1ccc(F)cc1Cl 40146367 YRKJZXRLBSFFHZ-UHFFFAOYSA-N 318.779 4.332 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OC(C)C 96193282 UAFMRDARBSPSMR-AQTBWJFISA-N 320.392 4.280 10 40 DICB Oc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1O 56312 QCVKZCVRKSLRPS-UHFFFAOYSA-N 308.362 4.370 10 40 DICB O=C1c2c(c(O)c3ccccc3c2Cl)C(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2C1 5706637 VIBFGGYPUAIUBG-PSJXJDHFSA-N 324.763 4.016 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3cccs3)S2)c(C)c1 5850554 BZHFOPRUBSDGHY-NTEUORMPSA-N 314.435 4.447 10 40 DICB NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 101319083 YMCZVBKCPVOUFC-RVKKMQEKSA-N 324.811 4.265 10 40 DICB CCN(CC)c1ccc(CNC(=O)c2cc(C)ccc2C)cc1 223544540 BGAJELVFSXUHPN-UHFFFAOYSA-N 310.441 4.080 10 40 DICB COc1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)c1 250450394 UYOFIZBMWGYAKB-RKVPGOIHSA-N 322.364 4.430 10 40 DICB Cc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)c(C)c1 5374631 FCJHXVFYNNHOJQ-ZROIWOOFSA-N 314.435 4.037 10 40 DICB CCOc1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1 70461956 HEFAKSRYWYEQLQ-ISLYRVAYSA-N 300.314 4.213 10 40 DICB Oc1ccccc1C1=NN[C@H](c2ccc3ccccc3c2)S1 3151179 UPSFLYNKZIBVCC-KRWDZBQOSA-N 306.390 4.242 10 40 DICB O=C(Nc1ccc(/N=N\c2ccccc2)cc1)SCCO 104229369 YHUWMUTVSZKEJE-ZCXUNETKSA-N 301.371 4.359 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3cccs3)S2)cc1C 5812887 BDJBMVCZLQHUDS-NTEUORMPSA-N 314.435 4.447 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 6950494 CMDGJJCLNWBRGT-GJYPPUQNSA-N 323.367 4.439 10 40 DICB O=C1/C(=C/c2cccs2)SC(=S)N1c1cccc(F)c1 1004915 QABJVNAQHYPQLR-WQLSENKSSA-N 321.423 4.293 10 40 DICB Cc1ccsc1/C=C1/SC(N2C[C@H](C)C[C@@H](C)C2)=NC1=O 96346348 VTOJKUFCBFUONI-PRRORJFTSA-N 320.483 4.005 10 40 DICB CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc(C)cc2)cc1 223461635 GQLDZENGBHJCHO-NTCAYCPXSA-N 322.452 4.171 10 40 DICB Cc1ccc(Cc2ccc(C=O)n2Cc2ccc(F)cc2)cc1 226029900 KRROAUIVKJFAAJ-UHFFFAOYSA-N 307.368 4.387 10 40 DICB COc1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21 6955701 IOULMYZLOXACCS-ZJNRKIDTSA-N 322.364 4.430 10 40 DICB COc1ccc(OC)c(/N=N\c2cc(OC)ccc2OC)c1 100409976 FXHDKZPLFMIQHU-ZCXUNETKSA-N 302.330 4.136 10 40 DICB CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(N)cc2)c1C 113772 YVPACEHKDFRAEV-UHFFFAOYSA-N 320.392 4.212 10 40 DICB CC(=O)Nc1cc(NC(C)=O)c(/N=N/c2ccccc2)cc1C 17918765 HIHRCFQELOGNSO-QZQOTICOSA-N 310.357 4.327 10 40 DICB CCCOc1ccc(NC(=O)c2cc(O)cs2)cc1Cl 101072937 RWFDJPYKUJIMBE-UHFFFAOYSA-N 311.790 4.148 10 40 DICB CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)ccc1O 7886666 VLVCUPKXEOQAJL-INIZCTEOSA-N 316.788 4.022 10 40 DICB CCN1C(=O)/C(=C/c2c(C)[nH]c3ccc(C)cc23)SC1=S 41108608 KIPDRANSCPPUNG-ZSOIEALJSA-N 316.451 4.006 10 40 DICB CCCN1c2cc(OC)c(CNCC)cc2C(C)=CC1(C)C 223800956 ZFGPYTQYJRBWOY-UHFFFAOYSA-N 302.462 4.217 10 40 DICB Oc1ccc([C@@H](Cc2ccccc2)NCc2ccccc2)c(O)c1 31923711 UBNQKBDIMHVEPC-HXUWFJFHSA-N 319.404 4.171 10 40 DICB Cc1ccc(Nc2nc(C)cc(Nc3ccc(N)cc3)n2)cc1 206580771 ZGROHGIPZFUGQY-UHFFFAOYSA-N 305.385 4.163 10 40 DICB O=C1N=C(Nc2ccccc2F)S/C1=C\C=C\c1ccco1 5374529 OZPZJUUIKXYQOP-OXTPFRESSA-N 314.341 4.057 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3cccs3)S2)cc1 5852042 RFZNNYDZZMSUGK-UKTHLTGXSA-N 300.408 4.139 10 40 DICB Cn1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc21 12664655 GTKGAASGMRFQNV-NVNXTCNLSA-N 308.768 4.324 10 40 DICB biogenic CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)s1 408903918 BEPWIZUOCFUGPC-UKTHLTGXSA-N 302.786 4.208 10 40 DICB O=C(O)c1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]21 409174613 VQMLKXLUYYZUGT-XWCIJXRUSA-N 309.340 4.350 10 40 DICB CCC(=O)N[C@@H](c1cccs1)c1c(O)ccc2ccccc12 319184 HXNMGCWZSFWLIK-SFHVURJKSA-N 311.406 4.223 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c[nH]c2ccccc12 8664886 KIUIFOGWOCSNBD-WOJGMQOQSA-N 315.376 4.282 10 40 DICB COc1cc(/N=N/c2cccc(Cl)c2C)cc(CO)c1O 70461981 ZHNPKJVKDGMNJX-ISLYRVAYSA-N 306.749 4.270 10 40 DICB O=C1c2ccccc2C(=O)c2cc(-c3nc4ccccc4[nH]3)ccc21 3897849 GRLIYAUADXHFGP-UHFFFAOYSA-N 324.339 4.005 10 40 DICB Oc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1O 14198684 IUYLPABUVRZXJK-UHFFFAOYSA-N 302.330 4.104 10 40 DICB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1 409345986 MBIXYHCLYSIVOM-ZTMOJVSCSA-N 321.467 4.085 10 40 DICB COc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4007951 OSICTFVGWMISBJ-DAYGRLMNSA-N 322.364 4.430 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C/c3ccsc3)S2)c1 96663290 CKAIPIHGROJXAN-JYRVWZFOSA-N 300.408 4.139 10 40 DICB CCOC(=O)C1=CS/C(=C\C(=S)c2ccccc2)S1 4664638 GPHOTOWBTZWHMO-MDWZMJQESA-N 308.449 4.131 10 40 DICB O=C1/C(=C\c2ccccc2)SC(=S)N1Cc1ccccc1 5773444 ZFDOUJFPZLIHAH-RVDMUPIBSA-N 311.431 4.088 10 40 DICB CSc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 6376244 TUAKZCMNMQLHLG-WQLSENKSSA-N 309.481 4.018 10 40 DICB CCOc1ccccc1/C=C1\SC(Nc2ccccc2)=NC1=O 7165590 BASNKGPOEXDYBG-VBKFSLOCSA-N 324.405 4.168 10 40 DICB CC[C@@H](c1ccccc1)N1CCCN(c2ccc(OC)cc2)CC1 84734672 BVLBWHJVOPYFPB-NRFANRHFSA-N 324.468 4.359 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C/c3ccccc3C)S2)c1 5214624 QTOKBZAYTOTCEM-WJDWOHSUSA-N 308.406 4.386 10 40 DICB Cc1c2c(cc3c1[nH]c1ccccc13)C(=O)c1ccccc1C2=O 5463437 SLTCAESTBFBKCC-UHFFFAOYSA-N 311.340 4.405 10 40 DICB Cc1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1 1086525 PQDJKGYCOFRNTF-PTNGSMBKSA-N 311.431 4.401 10 40 DICB C[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1cccnc1 69533521 FEALDSXRTBJBPQ-OAHLLOKOSA-N 304.393 4.305 10 40 DICB O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(F)cc1 94918 KBUBPBPFXHVWTI-UHFFFAOYSA-N 309.340 4.301 10 40 DICB O=C1c2ccccc2C(=O)c2c(Oc3ccccc3)cccc21 4066063 HCXMMSVIJXNUQQ-UHFFFAOYSA-N 300.313 4.254 10 40 DICB CC1=NN(c2ccccc2C)C(=O)/C1=C/c1c[nH]c2ccccc12 18193104 RXOBYXQOZQTWPN-GZTJUZNOSA-N 315.376 4.282 10 40 DICB COc1cccc(C(=O)Nc2ccc(-n3c(C)ccc3C)cc2)c1 3012179 AYVUVDXPOZLOKL-UHFFFAOYSA-N 320.392 4.355 10 40 DICB Cc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccc(S)cc1 2380628 WEAGLSGPVDUSRS-UHFFFAOYSA-N 309.390 4.440 10 40 DICB COc1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 94434 IPNOZTJAHBNSAK-HDMKZQKVSA-N 321.376 4.220 10 40 DICB Cc1ccn2c(NC3CCCCC3)c(-c3ccccn3)nc2c1 319930 DCMXRBIENRAJNX-UHFFFAOYSA-N 306.413 4.449 10 40 DICB CSc1cccc(NCc2cc(Br)ccc2O)c1 44836160 MYQSODUELVWOGE-UHFFFAOYSA-N 324.243 4.489 10 40 DICB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)c1 4501457 JRAQFPDPZOUMRM-GJYPPUQNSA-N 321.376 4.220 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1 13389300 GOECRXXHYNEYRF-MDZRGWNJSA-N 323.367 4.439 10 40 DICB COc1ccccc1[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 4140391 YERKLJHNVJXSHB-KSMMKXTCSA-N 322.364 4.430 10 40 DICB C[C@@H](Sc1nccs1)C(=O)N1CCC[C@@H]1c1cccs1 64661806 OLHPAVGIUNZANZ-GHMZBOCLSA-N 324.496 4.049 10 40 DICB COc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1 13574014 SLUFBHUNTJFTHR-GZTJUZNOSA-N 306.361 4.293 10 40 DICB C[C@@H](c1ccccc1O)N(C)C(=S)N[C@H](C)c1ccccc1 44073898 ZAGNZGGGZVFWLT-KGLIPLIRSA-N 314.454 4.021 10 40 DICB COC(=O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 409150175 APJXCLSAQYCVES-VFVRVIDISA-N 323.367 4.439 10 40 DICB Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)cc1C(C)C 3524725 HAAWSMSWYROWKH-UHFFFAOYSA-N 324.468 4.146 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3cccc(F)c3)S2)cc1 4468524 UIMDFKNBCMIBJZ-XNTDXEJSSA-N 312.369 4.217 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3ccsc3)S2)cc1 7164983 IZUDTVLLCXVTDR-MDWZMJQESA-N 300.408 4.139 10 40 DICB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9188681 CDAAWPABAXPQPU-UXEDPAHQSA-N 315.419 4.242 10 40 DICB CCOc1cccc(CNc2cc(Cl)ccc2OC)c1O 20005751 UGLAQZRBHSVMRP-UHFFFAOYSA-N 307.777 4.065 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2 4450169 MCNJIEZWPGNTHD-HBUWYVDXSA-N 321.380 4.433 10 40 DICB Oc1ccc2ccccc2c1CN[C@@H]1CCOc2ccccc21 95949718 MOQKTNSIEGIHIR-GOSISDBHSA-N 305.377 4.159 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4891611 WTYCGPVTIZZJEE-GJYPPUQNSA-N 322.364 4.430 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C(/O)c1ccc(Cl)cc1 100147621 JJNBAEUKCLPUDP-FOCLMDBBSA-N 312.756 4.032 10 40 DICB COc1cccc(C(=O)Oc2ccc(-n3c(C)ccc3C)cc2)c1 408737631 FHCDVZHTSAHXPO-UHFFFAOYSA-N 321.376 4.322 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21 6960458 SQUCJERBCKRZFQ-KHYOSLBOSA-N 320.392 4.003 10 40 DICB CC(=O)Nc1cc(F)c(/N=N\c2ccc([N+](=O)[O-])cc2)c(F)c1 104051269 ICGRNBQHIVMSMS-HNENSFHCSA-N 320.255 4.247 10 40 DICB CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 222607364 RDJSTOQRMJHCMQ-UHFFFAOYSA-N 316.832 4.116 10 40 DICB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 257966 JVLADMZUXQWDJT-HDMKZQKVSA-N 309.340 4.350 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 13471375 KUIVETCXSLFXSG-RVKKMQEKSA-N 307.353 4.125 10 40 DICB Cc1cc(C)c(O)c(CN(C)Cc2c(O)ccc3ccccc23)c1 1760405 VVSRAIJNARUXJQ-UHFFFAOYSA-N 321.420 4.500 10 40 DICB CCCOc1ccccc1/C=C1\SC(=S)N(CCC)C1=O 408602473 OJHNFBLEZKQGMW-KAMYIIQDSA-N 321.467 4.087 10 40 DICB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1 227148120 XOLQNEVMXPQWCZ-ZRDIBKRKSA-N 322.339 4.320 10 40 DICB COc1ccc(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)cc1 4852802 RDVYCDIPPRVBJY-WJDWOHSUSA-N 306.361 4.293 10 40 DICB C[C@@H]1CCCCN1C1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 59475382 QMQFSZZMQTUHLP-ZTMOJVSCSA-N 320.845 4.185 10 40 DICB OCc1ccccc1NCc1cc(-c2ccccc2)ccc1O 95971906 DZYIQMGVIGFQCY-UHFFFAOYSA-N 305.377 4.164 10 40 DICB O=C(O)[C@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@H]12 5630627 QPPYVZSFUYPJIJ-WWILAJSPSA-N 318.587 4.185 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1 112107833 FARGJAAEDZVHHW-JXAWBTAJSA-N 305.381 4.104 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C/C(C)=C/c1ccccc1 408902471 ODVJKTYPXGQRFB-OIXOFKMYSA-N 302.377 4.439 10 40 DICB Cc1ccccc1NCc1ccc(N2CCCC2)c([N+](=O)[O-])c1 226241383 PKLGUWACILUGHT-UHFFFAOYSA-N 311.385 4.116 10 40 DICB Cc1ccc2ccc(/C=C/c3ccc(N(C)C)cc3)[n+](C)c2c1 5027450 CKCXBLGUBZLMAG-UHFFFAOYSA-N 303.429 4.209 10 40 DICB CCCN1C(=O)/C(=C/c2c(C)[nH]c3ccccc23)SC1=S 40570608 PABWCNHWKJEWNV-ZROIWOOFSA-N 316.451 4.088 10 40 DICB CCN(CC)c1ccc(CNCc2ccccc2Cl)cc1 6869704 AAEYFUSIAYSAHL-UHFFFAOYSA-N 302.849 4.476 10 40 DICB CCN(CC)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1 222814224 BPPPIXHONLHYDA-UHFFFAOYSA-N 316.832 4.116 10 40 DICB Cc1cc(O)c(CN(C)Cc2nc3ccccc3s2)cc1C 16847623 PHSWGOXVLAJJGI-UHFFFAOYSA-N 312.438 4.251 10 40 DICB CC[C@H](c1ccccc1)N1CCCN(c2ccc(OC)cc2)CC1 84734675 BVLBWHJVOPYFPB-OAQYLSRUSA-N 324.468 4.359 10 40 DICB CCCN1C(=O)/C(=C/c2ccc(SC)cc2)SC1=S 9188419 KELQZJYAPLVCMN-XFXZXTDPSA-N 309.481 4.020 10 40 DICB C[C@H](NCc1cc(-c2ccccc2)ccc1O)c1cccnc1 69533518 FEALDSXRTBJBPQ-HNNXBMFYSA-N 304.393 4.305 10 40 DICB Clc1ccc(-c2nc(CSc3nccs3)no2)cc1 48876221 HJPOYEFWSVMYFY-UHFFFAOYSA-N 309.803 4.139 10 40 DICB Cc1nc(Sc2nccs2)c2c3c(sc2n1)CCC3 47509118 JMXKEACJCKQQGV-UHFFFAOYSA-N 305.453 4.096 10 40 DICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccccc1 20074724 PELYRGBYZSQILR-PDGQHHTCSA-N 305.381 4.022 10 40 DICB CC(C)(C)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5372168 JLXCTPPVXIZJGH-LFZMHEMLSA-N 303.452 4.243 10 40 DICB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccco3)SC2=S)c1 6844392 PWNHFGJQTHBEQP-ZROIWOOFSA-N 315.419 4.302 10 40 DICB Cc1c(F)cccc1NCc1cc(Br)ccc1O 44836301 KEBFOBQTGWNPOE-UHFFFAOYSA-N 310.166 4.214 10 40 DICB CCOC(=O)[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@H]12 58850603 TZTLZGXBVWDIEL-ISTVAULSSA-N 312.196 4.010 10 40 DICB Cc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 3044105 WBFXKBKSBYRXDD-RVDMUPIBSA-N 311.431 4.401 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 4450153 KUIVETCXSLFXSG-HDMKZQKVSA-N 307.353 4.125 10 40 DICB COc1ccccc1[C@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@H]21 94350 MPBOJZCDSRXYFC-KSMMKXTCSA-N 321.376 4.220 10 40 DICB Cc1ccc(C)n1-c1ccc(OC(=O)c2ccc(F)cc2)cc1 295129 NZZDQGHRMABCDK-UHFFFAOYSA-N 309.340 4.452 10 40 DICB CC[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1O 84734731 ZEJVBHMPZVYAFB-IBGZPJMESA-N 319.404 4.355 10 40 DICB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cccc(C)c1 4661517 MNRVTYDLZKNKGM-PDGQHHTCSA-N 305.381 4.022 10 40 DICB Cc1cc(C(=O)NCc2cccs2)c(C)n1-c1ccccc1 6832135 BAPOUYCRFALWNF-UHFFFAOYSA-N 310.422 4.086 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 6960468 RILJJSJBUAFIQJ-FRQCXROJSA-N 320.392 4.003 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3ccccc3F)S2)cc1 4464219 LEJOWHFXKRLSEQ-XNTDXEJSSA-N 312.369 4.217 10 40 DICB Nc1ccc(CC(=O)OC2c3ccccc3-c3ccccc32)cc1 216851548 CPXXCNZCWBEWNO-UHFFFAOYSA-N 315.372 4.125 10 40 DICB Cc1ccc(C2=C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c(C)c1 465281 QVLWCMCCIHGXJE-GDNBJRDFSA-N 321.332 4.193 10 40 DICB Cc1ccc(OC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 546489 UDDTXRDPOMIOLW-UHFFFAOYSA-N 312.394 4.023 10 40 DICB CCOc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1 5584763 VNRKHRNSBQADSE-VBKFSLOCSA-N 324.405 4.168 10 40 DICB CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCC[C@@H](C)C1 521610 MTAPFBHZELYDAZ-WMSNYHIESA-N 314.389 4.075 10 40 DICB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2)S1 35042438 YNLYYYOSLLDBJW-FOWTUZBSSA-N 308.406 4.331 10 40 DICB Cc1cccc(NCc2cc(Br)ccc2O)c1C 76275353 XRKHUXJAFXCVFO-UHFFFAOYSA-N 306.203 4.384 10 40 DICB CC[C@H](N[C@H](C)c1cn(C(C)(C)C)nc1C)c1ccccc1O 158143751 COGMSAJJBPHIMC-DYVFJYSZSA-N 315.461 4.454 10 40 DICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C)cc1 289375 MJZUGSWYRXVEJU-GZTJUZNOSA-N 310.784 4.455 10 40 DICB Cc1ccc(-n2c(C)cc(C(=O)CN3CCCCC3)c2C)cc1 3893034 MBPROHMRLWZAEI-UHFFFAOYSA-N 310.441 4.071 10 40 DICB CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 2666901 WTRRVZVZGBEHRD-KAMYIIQDSA-N 321.467 4.087 10 40 DICB CCCN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 5737942 TWKZBYTULJZSQD-YRNVUSSQSA-N 315.822 4.090 10 40 DICB COCc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O 1594601 JENIELNHVCCHQF-UHFFFAOYSA-N 305.462 4.258 10 40 DICB Oc1ccccc1C1=NN[C@@H](c2ccc3ccccc3c2)S1 3151180 UPSFLYNKZIBVCC-QGZVFWFLSA-N 306.390 4.242 10 40 DICB COc1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 4132691 BRPJGZYEWKTGOB-ZJNRKIDTSA-N 322.364 4.430 10 40 DICB Clc1cccc(N2CCN(C3=Cc4ccccc4C3)CC2)c1 55129522 FIXJEHWXWKWIRA-UHFFFAOYSA-N 310.828 4.059 10 40 DICB CCCCSc1nnc2c(n1)OC(CC)=Nc1ccccc1-2 15017091 XGEOBHHICAVBJL-UHFFFAOYSA-N 314.414 4.263 10 40 DICB CN(Cc1ccc(Cl)cc1)Cc1cc2c(cc1O)CCC2 8394415 PIEKWIDAWGLVRR-UHFFFAOYSA-N 301.817 4.166 10 40 DICB Cc1ccc(/N=N\[C@H]2Sc3nc4ccccc4n3C2=O)cc1 104024813 YLCDAROTTKWUKZ-JGWKNBOWSA-N 308.366 4.201 10 40 DICB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1cc(C)ccc1C 95470882 QTMUKVVOXHQKEJ-SFQUDFHCSA-N 319.408 4.330 10 40 DICB Cc1ccc(C2=C/C(=C/c3ccccc3[N+](=O)[O-])C(=O)O2)c(C)c1 463308 FKSJNCQJBUXWAS-GDNBJRDFSA-N 321.332 4.193 10 40 DICB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1N=[N+]=[N-] 20146098 FEJJGCPVFIJXGV-CXAGYDPISA-N 306.369 4.473 10 40 DICB CCCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)SC1=S 409339294 TUMPYALSWCTGSJ-GXDHUFHOSA-N 321.467 4.085 10 40 DICB Cc1ccc(O)c([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1 818140 CKNCLKDFDPOYJH-LJQANCHMSA-N 305.381 4.153 10 40 DICB O=C(/C=C/c1ccccc1)NCc1ccc(N2CCCCC2)cc1 10113064 DDWLOOGCYYGHQG-SDNWHVSQSA-N 320.436 4.007 10 40 DICB Clc1ccccc1N1CCN(C2=Cc3ccccc3C2)CC1 55145591 DJXHPKDUZOEANH-UHFFFAOYSA-N 310.828 4.059 10 40 DICB CC(=O)c1cc(Br)cc(-n2c(C)ccc2C)c1F 98181670 ANHOSYYKTNGAAR-UHFFFAOYSA-N 310.166 4.198 10 40 DICB O=C(O)c1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]21 409174612 VQMLKXLUYYZUGT-PSTGCABASA-N 309.340 4.350 10 40 DICB Nc1nc(/N=N/c2ccccc2)c(/N=N/c2ccccc2)c(=O)[nH]1 4114218 HTNYSGPOFXUUOI-DQPVQCHKSA-N 319.328 4.183 10 40 DICB Cc1ccc(C2=C/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1C 5546838 IODFFTRDKAVKRZ-LZYBPNLTSA-N 320.344 4.013 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(C)cc1 100040931 RKUXIQJCMKOIGM-LDADJPATSA-N 305.381 4.022 10 40 DICB CC[C@]1(N=[N+]=[N-])C(=O)c2ccccc2N(c2ccccc2)C1=O 73297842 NULQFSCZJRUBSW-KRWDZBQOSA-N 306.325 4.007 10 40 DICB Cc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 1183709 HOJWKSLEZLEKLH-ZROIWOOFSA-N 315.419 4.302 10 40 DICB CCN1c2cc(OC)c(CNC(C)C)cc2[C@H](C)CC1(C)C 260725358 UYMRYRRLZDNPNA-CQSZACIVSA-N 304.478 4.305 10 40 DICB CC[C@@H](C)[C@@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5531366 VIXKCWTWOBFMSB-SJKOYZFVSA-N 308.381 4.299 10 40 DICB CC[C@H](CO)NCc1cc(C)n(-c2cccc3ccccc23)c1C 48278575 VSKVIQUEUIYCQV-LJQANCHMSA-N 322.452 4.108 10 40 DICB COc1ccc2[nH]cc(/C=C3\C(=O)Nc4cc(Cl)ccc43)c2c1 62001446 JEERNFYWSUOXDC-UUASQNMZSA-N 324.767 4.323 10 40 DICB biogenic O=C(O)c1cc(/N=N/c2ccccc2Br)ccc1O 70461935 QIKDVOZQCBCMEC-FOCLMDBBSA-N 321.130 4.268 10 40 DICB CN(Cc1ccc(Cl)cc1)/N=N\c1ccc(C(=O)O)cc1 17062159 XUNAJGRWRKIEPV-ZCXUNETKSA-N 303.749 4.169 10 40 DICB CCc1ccccc1N1C(=O)/C(=C/c2ccco2)SC1=S 6710619 HKBDSNQAPHNTAG-UVTDQMKNSA-N 315.419 4.248 10 40 DICB CCOc1ccc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1 19892897 GJWCPASCXDMSNQ-VBKFSLOCSA-N 322.360 4.075 10 40 DICB O=C1c2ccccc2C(=O)C1C1c2ccccc2Cc2ccccc21 103651479 VHROBBLFOAUEGA-UHFFFAOYSA-N 324.379 4.418 10 40 DICB CC(C)Oc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 20496707 MEXOTWIELYNZHN-UHFFFAOYSA-N 324.424 4.326 10 40 DICB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 101123359 DQMLXAJMYIWCKH-KEYYUXOJSA-N 309.340 4.350 10 40 DICB COc1ccc(-c2ccc(/C=C3/SC(=O)NC3=S)o2)cc1 4247304 QFFRPFOVIHXFBV-MDWZMJQESA-N 317.391 4.080 10 40 DICB COc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3)c2)cc1 216725870 YCWPQUWUCWUCIS-FQEVSTJZSA-N 320.392 4.021 10 40 DICB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(CC)C1=O 409330534 KOWHZWDEXIPEIG-UXEDPAHQSA-N 321.467 4.085 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)cc3)S2)cc1C 4806725 XLYIYJMPCQSSOW-MHWRWJLKSA-N 324.405 4.091 10 40 DICB O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23 507877 FIXGNCWNTHTYMQ-UHFFFAOYSA-N 316.316 4.244 10 40 DICB CN(Cc1ccccc1O)C(=O)Nc1ccc(C(F)(F)F)cc1 47336558 ZOYORWQMVVQVRM-UHFFFAOYSA-N 324.302 4.075 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 6950551 PWFZDEPBBRKWTJ-PJIJBLCYSA-N 323.367 4.439 10 40 DICB CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1005018 VCKNZDHREPSIRI-YHYXMXQVSA-N 318.250 4.215 10 40 DICB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21 4132277 WQNGPYKUGFGUOM-DAYGRLMNSA-N 322.364 4.430 10 40 DICB CCOc1ccc(/C=C2/C=C(c3ccc(F)cc3)OC2=O)cc1 15228379 XSAUGDAIWQVMPP-PTNGSMBKSA-N 310.324 4.206 10 40 DICB Cc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(C)n1C 33328022 WKWDLZKHCMZXQN-AUWJEWJLSA-N 320.314 4.153 10 40 DICB Cc1cc(C)cc(NCc2cc(Br)ccc2O)c1 44836127 QPDQRJRZRWSLMK-UHFFFAOYSA-N 306.203 4.384 10 40 DICB CCOc1cccc(CNc2cc(C)c(Cl)cc2OC)c1O 44836439 QJJADIXJMGLOAG-UHFFFAOYSA-N 321.804 4.373 10 40 DICB O=C1/C(=C\c2cccs2)C(C(F)(F)F)=NN1c1ccccc1 408970569 BPTCMXJMSXJZKG-XFXZXTDPSA-N 322.311 4.097 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C/c3cccs3)S2)c1C 13713471 QIBNYSCVJURXFS-ZROIWOOFSA-N 314.435 4.447 10 40 DICB CC1CCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)CC1 63512 PZCOYXFJLCLFMJ-UVTDQMKNSA-N 320.845 4.042 10 40 DICB Cc1ccc(O)c([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1 818139 CKNCLKDFDPOYJH-IBGZPJMESA-N 305.381 4.153 10 40 DICB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 4004282 SLSSOGBNYLVCRS-RLFYNMQTSA-N 309.340 4.350 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OC(C)C 208841673 UAFMRDARBSPSMR-QGOAFFKASA-N 320.392 4.280 10 40 DICB CCOc1cccc(CNc2ccc(OC)c(Cl)c2)c1O 20546724 LWSUJPXZWORQGT-UHFFFAOYSA-N 307.777 4.065 10 40 DICB Cc1ccc(/N=N/[C@@H]2Sc3nc4ccccc4n3C2=O)cc1 104024830 YLCDAROTTKWUKZ-IWHJNQCMSA-N 308.366 4.201 10 40 DICB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@H]21 4140407 MPBOJZCDSRXYFC-IQUTYRLHSA-N 321.376 4.220 10 40 DICB CCc1ccccc1NC1=NC(=O)/C(=C\C=C\c2ccco2)S1 5372786 YFZCFSRDLUYTRN-FEPROMLASA-N 324.405 4.481 10 40 DICB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)C3CCCC3)cc2)C1 260843189 OYKXSWSMDASOIY-HOTGVXAUSA-N 314.473 4.290 10 40 DICB CCCCCSc1nnc2c(n1)OC(C)=Nc1ccccc1-2 6721542 WTMOSFSWHIVYTJ-UHFFFAOYSA-N 314.414 4.263 10 40 DICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(C)cc1 100929762 HYJAIZZAFCKEQH-UNOMPAQXSA-N 319.408 4.330 10 40 DICB CCN(CC)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 226268840 MZIPRNQWSXZECK-UHFFFAOYSA-N 311.341 4.249 10 40 DICB COc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4172119 LFUBJNKOGZYMIF-RFUYNDQBSA-N 322.364 4.430 10 40 DICB CCOC(=O)c1cccc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21 5796476 LZODSARGFUCLLU-VKJFTORMSA-N 320.392 4.085 10 40 DICB Cc1cc(/C=C/C(=O)N2CCc3ccccc32)c(C)n1C1CC1 12894684 GCIFWAIDWDWGMA-JXMROGBWSA-N 306.409 4.042 10 40 DICB Cc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)o1 35678283 QORPOQORLWIBDH-FOWTUZBSSA-N 318.332 4.016 10 40 DICB COc1cccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 7468191 BEUAYKHNRHDYBS-UHFFFAOYSA-N 320.392 4.355 10 40 DICB Oc1ccccc1[C@@H](Nc1ccccn1)c1c[nH]c2ccccc12 19419689 CMPDNGISVJSAJF-HXUWFJFHSA-N 315.376 4.470 10 40 DICB Oc1ccc(Cl)cc1CNc1cccc(Br)c1 19941827 NLRXOOKFAXPEAT-UHFFFAOYSA-N 312.594 4.420 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(C)cc(C)c1 112109455 SRWVYXYUEAJYLP-CYVLTUHYSA-N 319.408 4.412 10 40 DICB CN(C)Cc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O 1679494 PRTJCGANEKRDJW-UHFFFAOYSA-N 318.505 4.174 10 40 DICB in-vitro Cc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 55371839 FFTUHEHYJVENEZ-RVDMUPIBSA-N 311.431 4.401 10 40 DICB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1 359327 AJBZLQWUUFGTMB-YBEGLDIGSA-N 310.784 4.455 10 40 DICB OCc1cc(/N=N/c2ccccc2Br)ccc1O 70461967 MKUKXWNTJWOTHT-FOCLMDBBSA-N 307.147 4.062 10 40 DICB Oc1ccc2ccncc2c1CN1CCC[C@@H]1c1ccccc1 14182758 HISFUCNELRQKCM-LJQANCHMSA-N 304.393 4.278 10 40 DICB COc1ccccc1/N=N\c1c(C)nc(N)nc1-c1ccccc1 16951205 SWYYNAYHDUOELQ-FCQUAONHSA-N 319.368 4.458 10 40 DICB Cc1ccn2c(Nc3ccccc3)c(-c3ccccn3)nc2c1 38149256 KKCCGGIHUKLFDI-UHFFFAOYSA-N 300.365 4.448 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 264290 WTYCGPVTIZZJEE-JTDSTZFVSA-N 322.364 4.430 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21 4450152 KUIVETCXSLFXSG-MPGHIAIKSA-N 307.353 4.125 10 40 DICB CCN(CC)c1ccc(CNCCc2c[nH]c3ccccc23)cc1 6869691 HJXPPQSCPQCBFR-UHFFFAOYSA-N 321.468 4.346 10 40 DICB Cc1ccsc1/C=C1/SC(N2C[C@@H](C)C[C@@H](C)C2)=NC1=O 96346344 VTOJKUFCBFUONI-WMNKIYBBSA-N 320.483 4.005 10 40 DICB O=C(CSc1ccc2ccccc2c1)c1ccc(O)c(O)c1 4886514 VKSOAHZQNPEWBN-UHFFFAOYSA-N 310.374 4.226 10 40 DICB O=C1/C(=C\c2cccs2)SC(=S)N1c1ccccc1F 5544840 JDHSMYTYWWNBLT-XYOKQWHBSA-N 321.423 4.293 10 40 DICB Cc1cccc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)c1 96663289 FIRHMVWZUNESJL-WJDWOHSUSA-N 308.406 4.386 10 40 DICB CCOc1cccc(CNc2ccc(Br)cc2)c1O 19923088 WETZQTNPFGHPFT-UHFFFAOYSA-N 322.202 4.166 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21 4450180 UDEJMUPWFWOMJX-IYOUNJFTSA-N 307.353 4.125 10 40 DICB CC(C)(C)N1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S 35040453 AYPLFTDKLDDNIR-DHZHZOJOSA-N 311.859 4.340 10 40 DICB Cc1ccsc1/C=C1/SC(N2C[C@@H](C)C[C@H](C)C2)=NC1=O 96346345 VTOJKUFCBFUONI-UDDXXMGHSA-N 320.483 4.005 10 40 DICB Cc1cc(CO)c(C)n1-c1ccc(Br)cc1C(C)C 223709218 AKJQXTFVFKTQRG-UHFFFAOYSA-N 322.246 4.472 10 40 DICB CN(C)Cc1cc(C(C)(C)CC(C)(C)C)cc(CN(C)C)c1O 1706381 NOCZUJDWKXXYKK-UHFFFAOYSA-N 320.521 4.229 10 40 DICB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1446703 JYUNTUURMVYFSK-PTNGSMBKSA-N 311.431 4.401 10 40 DICB Oc1ccccc1CN(Cc1cscn1)C1CCCCC1 95410474 WKZJOTROYXYEHX-UHFFFAOYSA-N 302.443 4.184 10 40 DICB CCCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C 208843044 CMFOFSZREVXLHV-NBVRZTHBSA-N 320.392 4.282 10 40 DICB CC(C)(C)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 5371870 AYPLFTDKLDDNIR-FLIBITNWSA-N 311.859 4.340 10 40 DICB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1C1CCCC1 36617146 GZVCIQFJRRBING-LLRUOWDYSA-N 315.463 4.387 10 40 DICB CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 4854874 CWHDDTLXIGOBHV-ZWOKBUDYSA-N 304.393 4.472 10 40 DICB CCc1ccc(C2=C/C(=C/c3cccc(OC)c3)C(=O)O2)cc1 4852811 QAAIUROADQDTEI-BOPFTXTBSA-N 306.361 4.239 10 40 DICB CCCCN1C(=O)/C(=C\c2ccc(OCC)cc2)SC1=S 9188389 VNMSESSOJSZMOG-SDNWHVSQSA-N 321.467 4.087 10 40 DICB C[n+]1c(/C=C\c2ccc([N+](C)(C)C)cc2)ccc2ccccc21 13404396 CSSVPYKFAZWJSM-LCYFTJDESA-N 304.437 4.031 10 40 DICB CCCCN1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S 9188388 KIQNARLKMJQIGG-SDNWHVSQSA-N 305.468 4.250 10 40 DICB CCCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccccc1O 8941105 WVWPERFSFOWNCY-SFHVURJKSA-N 322.408 4.178 10 40 DICB Cc1cc(C(=O)COc2ccc(F)cc2)c(C)n1-c1ccccc1 3264047 JQTYEGURBCEHEF-UHFFFAOYSA-N 323.367 4.495 10 40 DICB O=C1N=C(NC2CCCC2)S/C1=C/c1ccc2ccccc2c1 97990768 ZILOONQKKCGMTE-SFQUDFHCSA-N 322.433 4.342 10 40 DICB CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 4854876 CWHDDTLXIGOBHV-QKLQHJQFSA-N 304.393 4.472 10 40 DICB COc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 4959396 PPSSEIXYXUAHHI-FRQCXROJSA-N 322.364 4.430 10 40 DICB COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)c1 71798572 AJPWEVVEYQPNPV-VIFPVBQESA-N 322.748 4.136 10 40 DICB CC(C)(C)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 27229864 HRCRGZPRUPAREY-JYRVWZFOSA-N 316.451 4.168 10 40 DICB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1C1CCCC1 409145102 PFNQBQCMSADNCM-ZROIWOOFSA-N 320.483 4.051 10 40 DICB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(C)o3)S2)cc1 5372721 YHJJCBWRLSSIKB-XNTDXEJSSA-N 312.394 4.233 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 6950510 PWFZDEPBBRKWTJ-BIENJYKASA-N 323.367 4.439 10 40 DICB c1ccc2oc(CNCCCSc3nccs3)cc2c1 72289949 VPWKZOLZXGJWHF-UHFFFAOYSA-N 304.440 4.161 10 40 DICB COc1ccccc1/N=N/c1c(C)nc(N)nc1-c1ccccc1 100057596 SWYYNAYHDUOELQ-GHVJWSGMSA-N 319.368 4.458 10 40 DICB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(Cl)cc1 96669680 ZYNJLXRDPJSWHD-GXDHUFHOSA-N 320.845 4.233 10 40 DICB O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccccc1 1465284 AMFMZFPOULURKP-NDUUIVGLSA-N 313.403 4.242 10 40 DICB O=C1/C(=C/Nc2ccccc2)SC(=S)N1c1ccccc1 100531272 KLYWQTAQHRSEGQ-KAMYIIQDSA-N 312.419 4.005 10 40 DICB CN(Cc1ccc(Cl)s1)Cc1cc2c(cc1O)CCC2 8395198 FDAVRSPXQJPAEB-UHFFFAOYSA-N 307.846 4.228 10 40 DICB Cc1cc(-c2csc(NC3CC3)n2)c(C)n1-c1ccccn1 9417598 DZCZQSKVKMQLPJ-UHFFFAOYSA-N 310.426 4.187 10 40 DICB COc1cccc(CNc2ccc(C)cc2Br)c1O 19901619 DVRGHYPMZIIQAD-UHFFFAOYSA-N 322.202 4.084 10 40 DICB O=C1c2ccccc2C(=O)c2c1c(O)cc1oc3ccccc3c21 15080983 KOQDGKNTNJPAOL-UHFFFAOYSA-N 314.296 4.067 10 40 DICB Clc1ccccc1-c1nnc(CSc2nccs2)o1 64660223 XIBREDIJBXLNEP-UHFFFAOYSA-N 309.803 4.139 10 40 DICB O=C1C(=C2CCCCC2)SC(=S)N1CNc1ccccc1 3177045 QIUCTOUIOAZQLZ-UHFFFAOYSA-N 318.467 4.135 10 40 DICB Cc1cccc(/N=N/[C@@H]2Sc3nc4ccccc4n3C2=O)c1 103994601 LMFXTIUQSZPCFH-IWHJNQCMSA-N 308.366 4.201 10 40 DICB CCN(CC)c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1 6869664 AIFYIVWSYMKVLO-UHFFFAOYSA-N 312.501 4.447 10 40 DICB Cc1cc(C)c(/C=C2/SC(N3CCCCC3)=NC2=O)cc1C 169942285 AAOVSOZEQVOONV-LFIBNONCSA-N 314.454 4.068 10 40 DICB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccccc1C 6556663 OOPCNNZALQZVMY-SFQUDFHCSA-N 319.408 4.330 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(C)C)cc1 58854640 ANUIWBDALXVDCD-CPNJWEJPSA-N 320.392 4.280 10 40 DICB O=C1CSC(=S)N1c1cc(Cl)c(Cl)cc1Cl 1565689 IZJCNQROCXWPMU-UHFFFAOYSA-N 312.630 4.012 10 40 DICB COc1ccccc1NC1=NC(=O)/C(=C\c2ccc(C)cc2)S1 8411325 DPQPOSPRWGENSB-LFIBNONCSA-N 324.405 4.086 10 40 DICB Oc1ccc2ccncc2c1CN1CCC[C@H]1c1cccs1 14246969 WPUVUXRLHWWNLK-INIZCTEOSA-N 310.422 4.339 10 40 DICB Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc(N(C)C)cc1)N2 817728 WJUKONFDYQYLHE-FQEVSTJZSA-N 318.424 4.205 10 40 DICB Cc1ccc(-c2ccc(/C=C3/SC(=O)NC3=S)o2)cc1 4247303 RLGMEBXDBRCEQM-MDWZMJQESA-N 301.392 4.380 10 40 DICB CCOc1ccc(/N=N/c2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 4797075 NMBHOMSCNRZJGR-FOCLMDBBSA-N 316.273 4.317 10 40 DICB Cc1ccc(F)c(NCc2cc(Br)ccc2O)c1 44836287 QBIMRZGKPCPIRK-UHFFFAOYSA-N 310.166 4.214 10 40 DICB Cc1ccc(C2=C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)c(C)c1 138344193 ZTKVLULNDPFDKC-OQLLNIDSSA-N 321.332 4.193 10 40 DICB CCc1ccccc1NC1=NC(=O)/C(=C/c2cccs2)S1 6570507 GJDFTLJLEQYVES-UVTDQMKNSA-N 314.435 4.393 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 4623315 UDEJMUPWFWOMJX-GLJUWKHASA-N 307.353 4.125 10 40 DICB Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1-c1ccccc1 6831616 LVAYCHCYHGYGDO-UHFFFAOYSA-N 316.404 4.297 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 409154260 NFCMAZOVFIHHSA-RVKKMQEKSA-N 321.380 4.433 10 40 DICB Cc1noc(C)c1COC(=O)c1cc(C)n(-c2ccccc2)c1C 2660438 JGZTYAPTVLIRIO-UHFFFAOYSA-N 324.380 4.056 10 40 DICB Oc1ccc2ccccc2c1CN[C@H]1CCOc2ccccc21 95949719 MOQKTNSIEGIHIR-SFHVURJKSA-N 305.377 4.159 10 40 DICB CCOC(=O)C1=NN(c2ccccc2)/C(=C/c2ccccc2)S1 5458048 BVTLEIVZZZYZMT-SSZFMOIBSA-N 324.405 4.115 10 40 DICB COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1C 5739890 UTLVHFYBZKVUJT-WJDWOHSUSA-N 324.405 4.086 10 40 DICB CC[C@@H](CO)NCc1cc(C)n(-c2cccc3ccccc23)c1C 48278573 VSKVIQUEUIYCQV-IBGZPJMESA-N 322.452 4.108 10 40 DICB COc1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 169682610 HQFYDZBANYJBNB-VKJFTORMSA-N 322.364 4.430 10 40 DICB COc1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21 6955671 IOULMYZLOXACCS-VEVIJQCQSA-N 322.364 4.430 10 40 DICB O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccccc1 13476488 QNHPBANPDIIYFW-GXDHUFHOSA-N 315.394 4.232 10 40 DICB CCCNCc1cc2c(cc1OC)N(CC)C(C)(C)C[C@@H]2C 223788154 OKBKLZKTBWMECP-AWEZNQCLSA-N 304.478 4.307 10 40 DICB Cc1cccc(OC(=O)c2sc3nc(C)cc(C)c3c2N)c1 2431870 WKTYUBDUAVKMIF-UHFFFAOYSA-N 312.394 4.023 10 40 DICB Cc1ccc(C)n1-c1ccc(CC(=O)NC2CCCCC2)cc1 40157943 AGZQLWHIODYTKW-UHFFFAOYSA-N 310.441 4.086 10 40 DICB Oc1c([C@@H](c2ccccc2)N2CCCC2)ccc2cccnc12 45944491 DMPJVOWKYCKFJN-LJQANCHMSA-N 304.393 4.126 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 4172146 JXLCUIWCBDHCOA-IEZWGBDMSA-N 305.377 4.300 10 40 DICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cccs1 12601567 KNSHITHZRQMTPD-ZROIWOOFSA-N 302.786 4.208 10 40 DICB CCOc1cc(C)c(/C=C2/SC(=S)NC2=O)cc1C(C)C 408850016 CTXPLMLUVSHNJH-RIYZIHGNSA-N 321.467 4.006 10 40 DICB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccccc1 1578272 WSCFBMNKAKJCHD-UHFFFAOYSA-N 323.351 4.202 10 40 DICB Cc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1F 16941239 YZJIGKODGLGNRJ-UHFFFAOYSA-N 316.357 4.412 10 40 DICB CN(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 18181872 PMKNPHJJTJQWEC-UHFFFAOYSA-N 317.820 4.070 10 40 DICB Cc1cccc(N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 118624357 GFGDYMGOIJBUBW-UHFFFAOYSA-N 319.408 4.074 10 40 DICB O=C1/C(=C/c2cccs2)SC(=S)N1C1CCCCC1 2433548 KKWYUQVJAZDZDH-XFXZXTDPSA-N 309.481 4.282 10 40 DICB CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CCCC3 507958 MPWZZXZNXMIIGT-UHFFFAOYSA-N 318.442 4.057 10 40 DICB CCOc1cc2nccc(Nc3ccc(N)cc3)c2cc1OCC 64875347 AIKBZBNFAQMLRV-UHFFFAOYSA-N 323.396 4.358 10 40 DICB O=C1NC(=S)S/C1=C\c1ccc(-c2ccccc2Cl)o1 12375686 IHYIQEBEGTWEDV-GHXNOFRVSA-N 321.810 4.089 10 40 DICB Oc1ccc(Cl)cc1CNCC12CC3CC(CC(C3)C1)C2 5043916 KILITAUVKRNXIB-UHFFFAOYSA-N 305.849 4.352 10 40 DICB COc1ccccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 16030348 AFCSXBSCBSSOEE-UHFFFAOYSA-N 320.392 4.355 10 40 DICB COc1cccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c1 408949568 RGSMGCRNRFQLTI-UHFFFAOYSA-N 321.376 4.170 10 40 DICB NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 4459091 YMCZVBKCPVOUFC-MPGHIAIKSA-N 324.811 4.265 10 40 DICB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(C)o2)S1 6570501 LVXGQBNTNPZVPC-GDNBJRDFSA-N 312.394 4.233 10 40 DICB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)Nc2ccccc21 33383737 KEFMPJJHEUKONU-AQTBWJFISA-N 304.393 4.088 10 40 DICB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1cccc(Cl)c1 2993280 FJHJFQPQHKNBMU-WQLSENKSSA-N 320.826 4.074 10 40 DICB Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)C2CCCC2)c1 65608478 ZEQKDJRLAFVRCG-UHFFFAOYSA-N 310.441 4.417 10 40 DICB CC[C@@H](N[C@H](C)c1cn(C(C)(C)C)nc1C)c1ccccc1O 158143882 COGMSAJJBPHIMC-CXAGYDPISA-N 315.461 4.454 10 40 DICB Oc1ccc2ccncc2c1CN(Cc1ccccc1F)C1CC1 14200375 LRULBJGCZIDYDW-UHFFFAOYSA-N 322.383 4.244 10 40 DICB O=C(O)c1cc(/N=N/c2ccccc2)cc(Br)c1O 45951649 YYZNUMOYYXBKRS-FOCLMDBBSA-N 321.130 4.268 10 40 DICB COC(=O)c1sc(Sc2ccccc2)c(Cl)c1O 96510989 KDGXGIXSGLMKKA-UHFFFAOYSA-N 300.788 4.045 10 40 DICB COc1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21 409160622 VADHUCMUCUAHJT-VFVRVIDISA-N 321.376 4.220 10 40 DICB CCSc1ncc(-c2ccc(Br)cc2)n1CC 44085257 CDPBOPQGVQZIRT-UHFFFAOYSA-N 311.248 4.445 10 40 DICB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccsc2)S1 57399041 JVLIJAUXEUHTCP-JYRVWZFOSA-N 300.408 4.139 10 40 DICB CC(C)(C)c1cnc(SCc2nccn2C(F)F)s1 95413938 YSPZCFXQHJWZIS-UHFFFAOYSA-N 303.403 4.325 10 40 DICB c1ccc2nc(NCCCSc3nccs3)ccc2c1 95431086 IIZHIPPHZKDYTA-UHFFFAOYSA-N 301.440 4.286 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 4111628 GOECRXXHYNEYRF-GJYPPUQNSA-N 323.367 4.439 10 40 DICB Cc1ccc2c(ccc(/C=C3/C=CN(C)c4ccccc43)[n+]2C)c1 4365927 FTXVDFOVPDQQOF-UHFFFAOYSA-N 313.424 4.477 10 40 DICB Cc1ccc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)cc1 13109848 LYLMAYNWKANAOV-GDNBJRDFSA-N 312.369 4.217 10 40 DICB Cc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)cc1C 32654883 UNKGRUBPGKKAIG-NTEUORMPSA-N 314.435 4.037 10 40 DICB Cc1noc(C)c1COC(=O)c1ccc(-n2c(C)ccc2C)cc1 3400208 HAIVJJDEWCJLQU-UHFFFAOYSA-N 324.380 4.056 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4140521 SIRAIUISTYRMQP-GJYPPUQNSA-N 321.376 4.220 10 40 DICB Fc1cccc2c1N[C@@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@@H]21 230529351 RYDZXIMBOQKUED-VBHSOAQHSA-N 309.340 4.381 10 40 DICB CCCCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S 4579217 JPCFOAXOPUCUCU-FMIVXFBMSA-N 311.859 4.341 10 40 DICB Oc1ccc2ccccc2c1CN(Cc1cccnc1)C1CC1 8747599 XLZGHNNAYXMOEB-UHFFFAOYSA-N 304.393 4.105 10 40 DICB CCCCOc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1 32109856 OCNQENPVJJKVBP-UHFFFAOYSA-N 312.413 4.184 10 40 DICB CCCOC(=O)c1cccc(/N=N/c2ccc(O)c(C=O)c2)c1 70462696 WJIBYTHJRNRTNS-VHEBQXMUSA-N 312.325 4.187 10 40 DICB Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccc(F)cc1 7158103 GHKAEQQTNJGAAS-UHFFFAOYSA-N 314.404 4.296 10 40 DICB CN(C)c1ccc(/N=N\c2ccc(/C=C3/CCOC3=O)cc2)cc1 104251324 GPFASNIOUAZMPH-GVRUESBESA-N 321.380 4.498 10 40 DICB CC(C)[C@@H]1CC(NCc2ccc(N(C)C)cc2)C[C@@H](C(C)C)O1 524734173 FKVALROBMRHKRI-PMACEKPBSA-N 318.505 4.070 10 40 DICB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccccc3)S2)c1 15346857 VQHUNHDFBRBESD-LFIBNONCSA-N 308.406 4.386 10 40 DICB Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 20327270 CPORZQUPRVGCCR-KRXBUXKQSA-N 307.180 4.228 10 40 DICB COc1ccc(/C=C/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 100354013 OUXKHRHTBMBHHH-UKRGCJTISA-N 318.376 4.058 10 40 DICB O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccc1 1043494 AVOLWSYTUDOYJG-XFXZXTDPSA-N 303.433 4.154 10 40 DICB aggregator CC(/C=C1\SC(Nc2cccnc2)=NC1=O)=C\c1ccccc1 4338989 XQWFQRNOZYZXFI-VKDWSQHSSA-N 321.405 4.110 10 40 DICB S=C(NNc1ccccc1)Nc1ccc(Cl)cc1Cl 6927565 FTXSFISYEHBVJU-UHFFFAOYSA-N 312.225 4.307 10 40 DICB [N-]=[N+]=NCCc1ccc(O)c(/N=N/c2ccc(C(=O)O)cc2)c1 1857793961 FGUKADGXHCRSQY-VHEBQXMUSA-N 311.301 4.359 10 40 DICB CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)ccc1O 7886665 VLVCUPKXEOQAJL-MRXNPFEDSA-N 316.788 4.022 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(C2CC2)c1C 32694176 JNEYMYBIOHLKOV-UNOMPAQXSA-N 319.408 4.246 10 40 DICB O=C1N=C(Nc2ccc(F)cc2)S/C1=C\C=C\c1ccccc1 20163931 SEQKKLWLIJWLHP-QSJINSDNSA-N 324.380 4.464 10 40 DICB CCN1C(=O)/C(=C/c2cc(C)n(C(C)(C)C)c2C)SC1=S 33653801 NLAAMBWKOLQYRV-LCYFTJDESA-N 322.499 4.081 10 40 DICB CCCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1O 8941110 WVWPERFSFOWNCY-GOSISDBHSA-N 322.408 4.178 10 40 DICB O=C(c1ccc(OC(F)F)cc1)c1sc2ccccc2c1O 12859504 CYCXEYVRSZRMIG-UHFFFAOYSA-N 320.316 4.439 10 40 DICB Oc1ccc(Cl)cc1C1=NN[C@H](c2ccccc2Cl)C1 462805 OZDAJKLNBBLWEG-ZDUSSCGKSA-N 307.180 4.138 10 40 DICB biogenic CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 4151334 QAGVPBFVSRSBKZ-GJYPPUQNSA-N 320.392 4.085 10 40 DICB CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCC[C@H](C)C1 5067483 MTAPFBHZELYDAZ-IVGVGDLQSA-N 314.389 4.075 10 40 DICB O=C1c2ccccc2C(=O)C1CSCc1ccc(Cl)cc1 100999358 BOXXJLNXNGKZRV-UHFFFAOYSA-N 316.809 4.269 10 40 DICB Oc1c(Cl)cc(Cl)cc1CNc1ccc2[nH]ncc2c1 1430584 YHCQIYONYBVLAK-UHFFFAOYSA-N 308.168 4.187 10 40 DICB CCSC1=NC(=O)/C(=C2/C=Cc3ccccc3N2CC)S1 100615252 JGBTUCRGHJMNFX-BUHFOSPRSA-N 316.451 4.134 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 4450167 MCNJIEZWPGNTHD-QWQRMKEZSA-N 321.380 4.433 10 40 DICB Fc1ccccc1Cc1nc(-c2ccc(-n3cccc3)cc2)no1 4623257 PCBGFYHVPRQMSP-UHFFFAOYSA-N 319.339 4.257 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 94440 SIRAIUISTYRMQP-JTDSTZFVSA-N 321.376 4.220 10 40 DICB O=C(O)c1cc(/N=N/c2ccc(Br)cc2)ccc1O 38811394 GNACUIMUGYAZMR-FOCLMDBBSA-N 321.130 4.268 10 40 DICB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccccc1Cl 409050826 ARADXTXQGXERMQ-UKTHLTGXSA-N 300.716 4.460 10 40 DICB CN(C)c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1 9608892 PAZDGEKMBZSMND-UHFFFAOYSA-N 324.399 4.442 10 40 DICB CCCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1CCC 17052524 CLOQJESMWNPNQI-SDXDJHTJSA-N 313.445 4.243 10 40 DICB O=C(O)c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1 4298455 QZGKQUSGJHPTPW-HDMKZQKVSA-N 309.340 4.350 10 40 DICB CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1 19736806 ZXTOHUBZLJDIMN-UONOGXRCSA-N 312.413 4.188 10 40 DICB O=C(O)[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@H]12 179766 JHGJAWDFYUSZLM-RVKKMQEKSA-N 307.349 4.017 10 40 DICB CC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)c1ccccc1-2 550060 OTFPGRZRXLVTCV-UHFFFAOYSA-N 313.356 4.471 10 40 DICB CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 409330067 JJDVGGWCCHGNPK-MQZPGMTCSA-N 303.452 4.244 10 40 DICB CCCN1C(=O)/C(=C\c2ccccc2OC(C)C)SC1=S 409338212 FUNJATVUCKWRCK-GXDHUFHOSA-N 321.467 4.085 10 40 DICB COc1ccc2ccc(O)c(CN(C)Cc3ccccc3)c2c1 6208977 LXJSJWPXQPQLNM-UHFFFAOYSA-N 307.393 4.186 10 40 DICB COc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1 409052737 LZCXCYJALSISQV-LFIBNONCSA-N 306.361 4.293 10 40 DICB CCCCCCOc1ccccc1C(=O)Nc1ccc(N)cc1 19736617 RTIPPVVSQCGVJI-UHFFFAOYSA-N 312.413 4.480 10 40 DICB COC(=O)c1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1 4320919 UQTHKOJLUAKIEL-HDMKZQKVSA-N 323.367 4.439 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 6962825 NFCMAZOVFIHHSA-VKJFTORMSA-N 321.380 4.433 10 40 DICB COc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1 18188029 WPNPDCOAABPERN-ISLYRVAYSA-N 302.330 4.136 10 40 DICB CCc1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc1 112109463 UFQXEKOMYZJTOO-RGEXLXHISA-N 319.408 4.358 10 40 DICB Nc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 227157409 VGBZCWXWPAYOAU-UHFFFAOYSA-N 312.756 4.435 10 40 DICB Oc1ccc(Cl)cc1CNCc1ccc(F)c(Cl)c1 40477050 FAYGNJZNMSBNBN-UHFFFAOYSA-N 300.160 4.128 10 40 DICB Cc1ccc(/C(O)=C/c2nc3cc(Cl)ccc3oc2=O)cc1 102649285 FRUNFCQOXMYJBB-DHDCSXOGSA-N 313.740 4.206 10 40 DICB CCNCc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@@H]2C 223786226 KRDOCAYDEHGESO-AWEZNQCLSA-N 304.478 4.305 10 40 DICB CCCCN(CCCC)Cc1cc(C=O)cc(OCC)c1O 616576655 XCRZYLPFCJCWCN-UHFFFAOYSA-N 307.434 4.006 10 40 DICB O=C1N=C(N2CCCCC2)S/C1=C\c1cccc2ccccc12 64276 ZHPLKFHUEKCMHM-LGMDPLHJSA-N 322.433 4.296 10 40 DICB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccccc1 27533610 AMFMZFPOULURKP-QXAPVUDZSA-N 313.403 4.242 10 40 DICB C[C@H](NC(=O)C1CCCC1)c1ccc(N2CCC[C@@H](C)C2)cc1 224858867 OYKXSWSMDASOIY-CVEARBPZSA-N 314.473 4.290 10 40 DICB CSC1=NC(=O)/C(=C/c2ccccc2C(F)(F)F)S1 1395270 ROSUPZSEHYMLBU-TWGQIWQCSA-N 303.330 4.039 10 40 DICB COc1ccc(-c2ccc(/C=C3\SC(=O)NC3=S)o2)cc1 13592222 QFFRPFOVIHXFBV-JYRVWZFOSA-N 317.391 4.080 10 40 DICB Oc1ccc(Cl)cc1CNCc1ccc(F)cc1Cl 40477048 ITXKCEZQJBWUGA-UHFFFAOYSA-N 300.160 4.128 10 40 DICB O=C1[C@@H]2CCCN2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 40545370 YAMIYYQZUVWUCX-QBNCKDSPSA-N 320.352 4.033 10 40 DICB CC[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1O 84734735 ZEJVBHMPZVYAFB-LJQANCHMSA-N 319.404 4.355 10 40 DICB O=C1N=C(N2CCCC2)S/C1=C\c1ccc(-c2ccccc2)o1 542956 MWDKRJYELUTWOK-VBKFSLOCSA-N 324.405 4.013 10 40 DICB Cc1cc(NCc2cc(Br)ccc2O)ccc1F 44836248 SVVWEVYLKKRXFN-UHFFFAOYSA-N 310.166 4.214 10 40 DICB CC(C)OC(=O)c1cccc(/N=N/c2ccc(O)c(C=O)c2)c1 70462700 MOVSJXMVTJNHCO-VHEBQXMUSA-N 312.325 4.185 10 40 DICB CCOC(=O)C1=C(c2ccccc2)N(C)c2ccccc2S1 1608445 HSBKWBGCWHXGII-UHFFFAOYSA-N 311.406 4.160 10 40 DICB CC[C@H](c1ccc(O)c(O)c1)[C@H](CC)c1ccc(O)c(O)c1 4655067 SQJDIVYCVVFMOZ-ZIAGYGMSSA-N 302.370 4.196 10 40 DICB biogenic,in-vitro Cc1ccc(-n2c(C)cc(-c3csc(N)n3)c2C)cc1F 7763057 ASXGCXNAGMTAJG-UHFFFAOYSA-N 301.390 4.247 10 40 DICB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@@H]2C=CC[C@@H]21 4172117 MPBOJZCDSRXYFC-BIENJYKASA-N 321.376 4.220 10 40 DICB Cc1cc(O)c(CN2CCC(C(=O)c3ccccc3)CC2)cc1C 14198046 UNWQFCLRMJCUQJ-UHFFFAOYSA-N 323.436 4.104 10 40 DICB CCCCCCSc1nnc2c(n1)OC=Nc1ccccc1-2 3656382 ORFKCRDNLKSEIW-UHFFFAOYSA-N 314.414 4.263 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 408737681 UXOVNHTVOYMIPB-SIFCLUCFSA-N 321.376 4.250 10 40 DICB Cc1ccc(C)n1-c1ccccc1CNC(=O)c1ccc(F)cc1 1396218 XCIGHBKCKRNVFP-UHFFFAOYSA-N 322.383 4.163 10 40 DICB CCCCn1cnc2cc(NCc3cccc(OC)c3)ccc21 3907436 ZLIPGXSAUUPAOZ-UHFFFAOYSA-N 309.413 4.457 10 40 DICB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1C1CCCCC1 27533594 NXBVXBGQGIWKNP-QXAPVUDZSA-N 319.451 4.370 10 40 DICB O=C1CSC(=S)N1c1ccc(Cl)c(Cl)c1Cl 6219899 TZCLCKFFWTVZBM-UHFFFAOYSA-N 312.630 4.012 10 40 DICB CN(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(Cl)c1 18181874 MSLZOVWXAYMDLF-UHFFFAOYSA-N 317.820 4.070 10 40 DICB CN(C)c1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 7621059 ANGBRACUYYLMAG-UXBLZVDNSA-N 319.364 4.379 10 40 DICB O=C1N=C(N2CCCC2)S/C1=C/c1ccc(-c2ccccc2)o1 2421175 MWDKRJYELUTWOK-FOWTUZBSSA-N 324.405 4.013 10 40 DICB Oc1ccc(Br)cc1CNc1cccc(Cl)c1 44836203 NVDGCWSRFPMCIQ-UHFFFAOYSA-N 312.594 4.420 10 40 DICB CC[C@@]1(N=[N+]=[N-])C(=O)c2ccccc2N(c2ccccc2)C1=O 73297845 NULQFSCZJRUBSW-QGZVFWFLSA-N 306.325 4.007 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C/c3sccc3C)S2)c1 7163873 AKSLYCUOXNVFND-ZROIWOOFSA-N 314.435 4.447 10 40 DICB CN(C)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1 4247401 MPEMFGXDTAQHHU-UHFFFAOYSA-N 305.445 4.472 10 40 DICB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@@H]2C=CC[C@H]21 13389158 MPBOJZCDSRXYFC-PJIJBLCYSA-N 321.376 4.220 10 40 DICB Cc1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c(C)c1 312405 QLFYBIHFTPTKQI-ATVHPVEESA-N 319.404 4.351 10 40 DICB COc1ccccc1/[N+]([O-])=N\c1ccc(Br)cc1 100854700 DENQYIUDRMXRSE-FOCLMDBBSA-N 307.147 4.383 10 40 DICB CCOc1ccccc1/N=N/c1cc(C=O)c(O)c(OC)c1 70462001 CEJLNLWOUSGNIE-ISLYRVAYSA-N 300.314 4.027 10 40 DICB COc1cccc(CNc2ccc(C(F)(F)F)c(C)c2)c1O 95457001 SHYXMOCNFMBSTM-UHFFFAOYSA-N 311.303 4.340 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C/c3cccc(O)c3)S2)c1C 350739 DYOBKNLEPBOGIB-YBEGLDIGSA-N 324.405 4.091 10 40 DICB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(O)cc2)cc1 94930 XWJABDBDGACBHH-UHFFFAOYSA-N 321.376 4.176 10 40 DICB CCCCN1C(=O)/C(=C\c2ccccc2OCC)SC1=S 9188386 MIGGDLZDEARHPR-SDNWHVSQSA-N 321.467 4.087 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 4472692 UMQOKRPPCFWONW-BOPFTXTBSA-N 310.784 4.455 10 40 DICB CCN1c2cc(OC)c(CNC(C)C)cc2[C@@H](C)CC1(C)C 223790538 UYMRYRRLZDNPNA-AWEZNQCLSA-N 304.478 4.305 10 40 DICB CCN(CC)c1ccc(CNC(=O)c2ccc(C)cc2C)cc1 225571690 BNWGLLJIOBFGKA-UHFFFAOYSA-N 310.441 4.080 10 40 DICB O=C1N=C(NC2CCCCC2)S/C1=C/C=C/c1ccccc1 96669678 ZPENEHQTQPUGCD-NJKRNUQASA-N 312.438 4.135 10 40 DICB O=C1N=C(N2CCCCC2)S/C1=C/c1cccc2ccccc12 64274 ZHPLKFHUEKCMHM-GHRIWEEISA-N 322.433 4.296 10 40 DICB Cc1ccccc1/N=N/c1ccc(NC(=O)/C=C\C(=O)O)cc1C 27529369 OSORAMSDYAVDAI-PZAJOLBZSA-N 323.352 4.298 10 40 DICB COc1cccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)c1 409054219 SRCAPTRYVCNQFT-MHWRWJLKSA-N 306.361 4.293 10 40 DICB CC(C)(C)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 20226869 HRCRGZPRUPAREY-MDWZMJQESA-N 316.451 4.168 10 40 DICB COc1ccc(N/C=C(\C)C(=S)c2ccc(OC)cc2)cc1 16136513 MOLCEYMKIBSTAV-OUKQBFOZSA-N 313.422 4.438 10 40 DICB CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1 19736805 ZXTOHUBZLJDIMN-ZIAGYGMSSA-N 312.413 4.188 10 40 DICB CC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)c2ccccc21 4714750 RVEUMDGZMIFQIU-UHFFFAOYSA-N 303.429 4.384 10 40 DICB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1C 218484810 HGPXXVVWJKSFAU-MHWRWJLKSA-N 321.332 4.193 10 40 DICB O=C1N=C(N2CCCCCC2)S/C1=C/c1ccccc1Cl 441310 BDLPNOJYLRKEPA-SDNWHVSQSA-N 320.845 4.186 10 40 DICB Oc1c([C@H](c2ccc(F)cc2)N2CCCC2)ccc2cccnc12 67256 ASXOSTOFHSBSSS-IBGZPJMESA-N 322.383 4.265 10 40 DICB Oc1ccc(Cl)cc1CN[C@@H](c1ccccc1)c1ccccn1 69813493 JZEFIAYGOODQCD-IBGZPJMESA-N 324.811 4.320 10 40 DICB CCCn1cnc2cc(NCc3ccccc3OCC)ccc21 3907433 XKGPWGBMGWAZRZ-UHFFFAOYSA-N 309.413 4.457 10 40 DICB O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc(F)cc1 1215180 CFONXPGNJOVTEO-GXDHUFHOSA-N 315.394 4.232 10 40 DICB CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCC(C)CC1 5065358 BAOSFPPUPWVOMC-FMQUCBEESA-N 314.389 4.075 10 40 DICB CC[C@H](C)[C@@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5531371 VIXKCWTWOBFMSB-YVEFUNNKSA-N 308.381 4.299 10 40 DICB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccsc3)S2)c1 96663400 BFWOJQBSCBHXIO-ZSOIEALJSA-N 314.435 4.447 10 40 DICB CC(=O)N(Cc1cc(C(C)(C)C)ccc1O)C1CCCCC1 1679829 ISNIUPVYFZYTRW-UHFFFAOYSA-N 303.446 4.371 10 40 DICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C)cc1 16948897 MJZUGSWYRXVEJU-BOPFTXTBSA-N 310.784 4.455 10 40 DICB CCOC(=O)c1oc2ccccc2c1CSc1nccs1 58367005 ZBJJBYYPXLTQNR-UHFFFAOYSA-N 319.407 4.358 10 40 DICB CCCn1c(NC(=O)Nc2cccc(F)c2)nc2ccccc21 27923614 QFYOKZAHBAASTH-UHFFFAOYSA-N 312.348 4.229 10 40 DICB CNc1ccc(C2Nc3cccc4cccc(c34)N2)cc1[N+](=O)[O-] 70453923 PROJUVHGTOCYDD-UHFFFAOYSA-N 320.352 4.326 10 40 DICB OCc1cc(/N=N/c2ccc(Br)cc2)ccc1O 70461973 WLGFUILONUAUDY-FOCLMDBBSA-N 307.147 4.062 10 40 DICB COc1ccc(OC)c(/N=N/c2cc(OC)ccc2OC)c1 18069262 FXHDKZPLFMIQHU-ISLYRVAYSA-N 302.330 4.136 10 40 DICB CCCOc1ccc(/C=C2/SC(=S)N(CCC)C2=O)cc1 33654978 UFASOAOSJWNPCT-SDNWHVSQSA-N 321.467 4.087 10 40 DICB COc1cc2c(cc1OC)/C(=C/c1ccc(N(C)C)cc1)C=C2 1598187 AGPRWMSPKUNAAF-RVDMUPIBSA-N 307.393 4.337 10 40 DICB Oc1c(-c2nc3ccccc3n2C(F)F)sc2ncccc12 24926869 CIMHTHCLJVXQLD-UHFFFAOYSA-N 317.320 4.414 10 40 DICB CC[C@H](c1ccc(O)c(O)c1)[C@@H](CC)c1ccc(O)c(O)c1 13319978 SQJDIVYCVVFMOZ-OKILXGFUSA-N 302.370 4.196 10 40 DICB biogenic,in-vitro Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 73638472 YPNBFSXDLSQXQV-UHFFFAOYSA-N 302.786 4.389 10 40 DICB CCN(CC)c1ccc(CNC(=O)c2cc(C)c(C)cc2C)cc1 225653747 NKRBRCSISICNDQ-UHFFFAOYSA-N 324.468 4.388 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1C 112109513 BVQJWECVCGLZRW-CYVLTUHYSA-N 319.408 4.412 10 40 DICB Cc1ccccc1N1C(=O)/C(=C/c2ccccc2)SC1=S 1749105 PYLOZZNEPYAUOS-PTNGSMBKSA-N 311.431 4.401 10 40 DICB Cc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3ccco3)c2C)cc1 25260734 YSIZJDWETYJSTN-OAHLLOKOSA-N 322.408 4.487 10 40 DICB CN(C)c1ccc(/N=N/c2ccc(Br)cn2)c(O)c1 100027661 LNIGBQNXJNNICD-WUKNDPDISA-N 321.178 4.031 10 40 DICB COc1ccccc1[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 4140393 YERKLJHNVJXSHB-NJSLBKSFSA-N 322.364 4.430 10 40 DICB CN(C)/N=N/c1ccc(-c2cn(Cc3ccccc3)cn2)cc1 13111787 ADUCKIPCSWJRSM-QZQOTICOSA-N 305.385 4.159 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2 409159056 PWFZDEPBBRKWTJ-TYILLQQXSA-N 323.367 4.439 10 40 DICB CCOc1ccc(NCc2cc(Br)ccc2O)cc1 135845 NUWRLAAZIDRJKU-UHFFFAOYSA-N 322.202 4.166 10 40 DICB C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)C1 5898204 ICMAMHHHGBJVTF-ZECSTPGPSA-N 320.845 4.042 10 40 DICB Oc1ccc(Cl)cc1CNCc1cccc(C(F)(F)F)c1 20563359 GNOIRYUADKLFLL-UHFFFAOYSA-N 315.722 4.354 10 40 DICB O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 13303262 OEZWBJLEKBUTGH-GHXNOFRVSA-N 321.810 4.089 10 40 DICB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1cccc(Cl)c1 41514444 OWQSWNCRNAJHMK-UHFFFAOYSA-N 301.695 4.493 10 40 DICB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCC[C@@H](O)C1 43189322 BEYROHLYLFKJMY-SGRLSNSRSA-N 324.384 4.091 10 40 DICB Fc1ccccc1-c1nc(-c2ccc(-n3cccc3)cc2)no1 4623296 SVIRROARUJDKGQ-UHFFFAOYSA-N 305.312 4.333 10 40 DICB Cc1noc2ncc(NCc3ccc(N4CCCCC4)cc3)cc12 95943684 IEDBZFLYKPJOSO-UHFFFAOYSA-N 322.412 4.134 10 40 DICB Oc1ccc(Cl)cc1CN[C@H](c1ccccc1)c1ccccn1 69813495 JZEFIAYGOODQCD-LJQANCHMSA-N 324.811 4.320 10 40 DICB Oc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 542930 RCQMGOPOWXBCGF-HXUWFJFHSA-N 313.360 4.381 10 40 DICB Cc1cnccc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 107287767 ASOKTNUBBBAFQY-UHFFFAOYSA-N 323.371 4.189 10 40 DICB CCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1188401 JCCOTDXBJVBBNF-POHAHGRESA-N 318.250 4.215 10 40 DICB CC(C)[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)C[C@H](C(C)C)O1 524734172 FKVALROBMRHKRI-FNLKRUPLSA-N 318.505 4.070 10 40 DICB CC(C)(C)c1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1 69863 IVDFKPMUDCRTNH-NTCAYCPXSA-N 314.454 4.050 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 1461969 SIRAIUISTYRMQP-GPMSIDNRSA-N 321.376 4.220 10 40 DICB CN(Cc1ccc(Cl)cc1)/N=N/c1ccc(C(=O)O)cc1 1559457 XUNAJGRWRKIEPV-ISLYRVAYSA-N 303.749 4.169 10 40 DICB Cc1ccc(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)c(C)c1 4852807 YATYVCGSQIGKGZ-NVNXTCNLSA-N 320.344 4.013 10 40 DICB C/N=c1/scc(-c2cc(C)n(-c3ccc(C)cc3)c2C)n1C 103374541 DPGCCAUOXJZJED-VHEBQXMUSA-N 311.454 4.000 10 40 DICB C[C@@H](NCc1cc(Br)ccc1O)c1ccc(F)cc1 40477074 HAWCKCYVZRRLNT-SNVBAGLBSA-N 324.193 4.145 10 40 DICB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3cccs3)S2)c1 7165531 CULLZKYHQMCRMU-NTEUORMPSA-N 314.435 4.447 10 40 DICB Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 227157424 CPUHCKIWPYRJQT-UHFFFAOYSA-N 312.756 4.435 10 40 DICB CCOc1ccc2c(C)c(C3=CC=CCC3=S)c(=O)oc2c1 71404993 CYUOWNQZQJOCSQ-UHFFFAOYSA-N 312.390 4.213 10 40 DICB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)cc1 227148078 WCRHVZDLJKPGMX-ZRDIBKRKSA-N 322.339 4.320 10 40 DICB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/Nc1cccc(C)c1 101123091 MNRVTYDLZKNKGM-LDADJPATSA-N 305.381 4.022 10 40 DICB OCc1ccc(Cc2ccccc2)n1Cc1ccc(Cl)cc1 226028058 SCCZMONMTMFFNS-UHFFFAOYSA-N 311.812 4.273 10 40 DICB Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccccc2Cl)C1 462804 OZDAJKLNBBLWEG-CYBMUJFWSA-N 307.180 4.138 10 40 DICB biogenic CCCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 2666879 GPZNCCJUJMROJY-KAMYIIQDSA-N 321.467 4.174 10 40 DICB O=C1c2ccccc2C(=O)C1(Nc1ccccc1)c1ccccc1 75980 QLLIFCAYEWDQMB-UHFFFAOYSA-N 313.356 4.073 10 40 DICB Cc1c(N)ccc(/N=N/c2ccc(Br)cc2)c1N 73740091 OBHBBPZHFQJFFC-ISLYRVAYSA-N 305.179 4.337 10 40 DICB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccccc1 6556662 XHKACDOQQYYBCH-SFQUDFHCSA-N 305.381 4.022 10 40 DICB CCCS(=O)(=O)Nc1ccc(/N=N/c2ccccc2)cc1 226859345 KOALLMJSBHCYRJ-WUKNDPDISA-N 303.387 4.254 10 40 DICB CCCCCN(CCCCC)C1C(=O)c2ccccc2C1=O 1596772 ZTRDBOKYURIPGB-UHFFFAOYSA-N 301.430 4.117 10 40 DICB Cc1ccccc1N1C(=O)/C(=C/c2cccs2)SC1=S 1090131 JYSZGOMYGINHNE-LCYFTJDESA-N 317.460 4.462 10 40 DICB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccccc1 1009534 LZYHDFCLWZOABI-UVTDQMKNSA-N 315.394 4.232 10 40 DICB CC(C)[C@@H](CCNCc1ccc(N(C)C)cc1)c1ccco1 2147311 LLDNFWLKZOUQPR-GOSISDBHSA-N 300.446 4.265 10 40 DICB biogenic CCOc1ccc(/C=C2/SC(=S)N([C@H](C)CC)C2=O)cc1 16805171 GTQCXWCIEHCABK-ZTMOJVSCSA-N 321.467 4.085 10 40 DICB CC(C)c1ccc(NC(=O)Nc2nc3ccccc3n2C)cc1 27924037 UMEIQKVMNDSLSU-UHFFFAOYSA-N 308.385 4.341 10 40 DICB C[C@H](NCc1ccc(N(C)C)cc1)C12CC3CC(CC(C3)C1)C2 5092184 PDUNTEPIRYNWFI-MEOONVRBSA-N 312.501 4.447 10 40 DICB COc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C 17161617 XRJTZHYLYFIJKG-NTMALXAHSA-N 304.393 4.480 10 40 DICB Cc1ccc(-c2cn3c([n+]2Cc2ccccc2)SCCC3)cc1 26441782 ZBNFAJFZSDEDFA-UHFFFAOYSA-N 321.469 4.295 10 40 DICB CCc1ccccc1N1C(=O)/C(=C\c2ccco2)SC1=S 5371549 HKBDSNQAPHNTAG-GXDHUFHOSA-N 315.419 4.248 10 40 DICB CCc1cccc2c(/C=C3/C(=O)N(C)c4ccccc43)c[nH]c12 575108 IUCTUKHLPHQDCN-GZTJUZNOSA-N 302.377 4.247 10 40 DICB CCN(CC)c1ccc(CNC(=S)Nc2ccccc2)cc1 54939958 PLTRFSSGGKDBCK-UHFFFAOYSA-N 313.470 4.019 10 40 DICB Cc1cccc(NC2=NC(=O)/C(=C\c3ccccc3)S2)c1C 35644122 OZWKGJUPZFCGLG-LFIBNONCSA-N 308.406 4.386 10 40 DICB COc1ccc([C@@H]2CCN(Cc3cc(C)c(C)cc3O)C2)cc1 72061249 FZMGYLLFBSYFPT-QGZVFWFLSA-N 311.425 4.007 10 40 DICB Cc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)s1 113837022 WPBJWDVULSMSML-UKTHLTGXSA-N 317.460 4.462 10 40 DICB COc1ccc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1 33874698 BNMPPCXFOXHNKI-LFIBNONCSA-N 324.405 4.086 10 40 DICB COc1ccccc1/C=C1/C=C(c2ccc(C)cc2C)OC1=O 66696 MSBZYKRZMMMWOW-WJDWOHSUSA-N 306.361 4.293 10 40 DICB COc1ccccc1CN(C)Cc1c(O)ccc2ccccc12 6787772 XUJSYYIYFLMVSE-UHFFFAOYSA-N 307.393 4.186 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)[nH]c2ccccc12 83295790 YLJSLSDWKBLULE-LDADJPATSA-N 315.376 4.282 10 40 DICB C[C@@H](NC(=S)N(C)[C@H](C)c1ccccc1O)c1ccccc1 44073901 ZAGNZGGGZVFWLT-ZIAGYGMSSA-N 314.454 4.021 10 40 DICB CCCN1c2cc(OC)c(CNCC)cc2[C@@H](C)CC1(C)C 223786146 SCHPQPKUDSXCIR-AWEZNQCLSA-N 304.478 4.307 10 40 DICB Cc1cc([C@H]2CCCCCN2Cc2ccc(N(C)C)cc2)on1 19120261 HDNXOPQCKZVWOG-GOSISDBHSA-N 313.445 4.166 10 40 DICB Oc1ccc(Cl)cc1CNCc1ccccc1C(F)(F)F 40477052 VNUUYSIFPWUOOD-UHFFFAOYSA-N 315.722 4.354 10 40 DICB Cc1noc(/C=C\c2cc(C)n(-c3ccccc3)c2C)c1[N+](=O)[O-] 108977363 RPZNOZIFMICQTF-KTKRTIGZSA-N 323.352 4.469 10 40 DICB CCN(CC)c1ccc(CNC(=O)Cc2ccc(C)cc2C)cc1 224384897 PODSRWTYCOQKJM-UHFFFAOYSA-N 324.468 4.009 10 40 DICB CC(C)CN1C(=O)/C(=C\c2ccc(N(C)C)cc2)c2ccccc21 409110420 VYMPTIYBYPQEFM-UYRXBGFRSA-N 320.436 4.296 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@H]1C=CC[C@H]1[C@H](c1ccccn1)N2 4450170 MCNJIEZWPGNTHD-PMUMKWKESA-N 321.380 4.433 10 40 DICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1 112109785 KPKAXIBZQHJVRA-AQTBWJFISA-N 323.371 4.243 10 40 DICB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 222369063 PPSSEIXYXUAHHI-GJYPPUQNSA-N 322.364 4.430 10 40 DICB CC1=NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(C)o1 16348022 KQWBWBMXBXJUBG-JYRVWZFOSA-N 318.735 4.187 10 40 DICB COC(=O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 6950655 APJXCLSAQYCVES-LXIYXOSZSA-N 323.367 4.439 10 40 DICB Oc1c(Cl)cc(Cl)cc1CNc1nc2ccccc2[nH]1 547559 PHXOGHJCYJBTPQ-UHFFFAOYSA-N 308.168 4.187 10 40 DICB COc1cc(-c2ccc(-n3c(C)ccc3C)c(OC)c2)ccc1N 408739294 VGLDOUVUJCSFLD-UHFFFAOYSA-N 322.408 4.361 10 40 DICB O=C1c2c(c(Cl)c3ccccc3c2O)C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1 104217183 VIBFGGYPUAIUBG-NGERZBJRSA-N 324.763 4.016 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 226843381 DTESZWMJUGQZQJ-TYILLQQXSA-N 322.364 4.430 10 40 DICB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccccc1 13476482 LZDWDKCNADFWPW-GXDHUFHOSA-N 315.394 4.232 10 40 DICB CCOc1ccc(NC2=NC(=O)/C(=C\c3ccccc3)S2)cc1 35644116 QRMKAJQPBSSOBZ-FOWTUZBSSA-N 324.405 4.168 10 40 DICB CC(C)c1ccccc1NC(=S)NNc1ccc(F)cc1F 3266003 TWCNSTDHNDFZIF-UHFFFAOYSA-N 321.396 4.402 10 40 DICB Cc1ccccc1/C=C1\SC(Nc2ccccc2C)=NC1=O 5214629 GUSHAKDPPXTVSY-WJDWOHSUSA-N 308.406 4.386 10 40 DICB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1 409345984 MBIXYHCLYSIVOM-IWQAVIMZSA-N 321.467 4.085 10 40 DICB O=C1Nc2ccccc2S/C1=C/c1ccc(N2CCCC2)cc1 409105625 NPEGQGMPPUPMBS-QGOAFFKASA-N 322.433 4.372 10 40 DICB O=C(O)c1cccc2c1N[C@@H](c1ccccc1F)[C@H]1CC=C[C@H]21 4499133 HNGWMZYTSLWJBN-NVGCLXPQSA-N 309.340 4.350 10 40 DICB COc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1F 58282077 PTAAMISZRIVUFA-UHFFFAOYSA-N 318.348 4.158 10 40 DICB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C1CCCCC1 13786548 SLNFKQZXQNPJER-UVTDQMKNSA-N 321.442 4.360 10 40 DICB COc1ccc(Cl)cc1/N=N/S(=O)(=O)c1ccc(C)cc1 18086203 NOHKMPSUWVUIMD-WUKNDPDISA-N 324.789 4.130 10 40 DICB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1cc(C)ccc1O)N2 818032 AHXSRYQICMVUTA-LJQANCHMSA-N 305.381 4.153 10 40 DICB O=C(Nc1ccc(Cl)cc1)OCCSc1nccs1 2171548 GONJJKKPEYUJCW-UHFFFAOYSA-N 314.819 4.137 10 40 DICB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1cccc(C)c1 345047 TZJGAPIKPDJBTB-LDADJPATSA-N 319.408 4.330 10 40 DICB COc1ccc(CN(C)Cc2c(O)ccc3ccccc23)cc1 3362691 USRGFBQVNBTJOE-UHFFFAOYSA-N 307.393 4.186 10 40 DICB O=C1N=C(NC2CCCCC2)S/C1=C\c1cccc(Cl)c1 7209197 XUYSUHKTPXCKTH-UVTDQMKNSA-N 320.845 4.233 10 40 DICB COc1cccc(/C=C2\SC(Nc3ccccc3C)=NC2=O)c1 5214628 WWYOZDRLGCDDSS-WJDWOHSUSA-N 324.405 4.086 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 6962828 PFGCNXRRTGJVMR-VKJFTORMSA-N 321.380 4.433 10 40 DICB CN(c1ccc(CNC(=O)C(C)(C)C)cc1)C1CCCCC1 60157429 WSCPTUBTURJSOE-UHFFFAOYSA-N 302.462 4.118 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(F)cc3)S2)cc1 4464461 MYSBUFWSBKGNGJ-XNTDXEJSSA-N 312.369 4.217 10 40 DICB CN(C)c1ccc(/N=N/c2ccc(/C=C3\CCOC3=O)cc2)cc1 17156706 GPFASNIOUAZMPH-CIZJCETFSA-N 321.380 4.498 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 6963505 DXQMVOZYLODRDA-RLFYNMQTSA-N 307.353 4.125 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccncc1)N2 409164889 PFGCNXRRTGJVMR-IIDMSEBBSA-N 321.380 4.433 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21 4450178 UDEJMUPWFWOMJX-DEYYWGMASA-N 307.353 4.125 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 4450151 KUIVETCXSLFXSG-RLFYNMQTSA-N 307.353 4.125 10 40 DICB COc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 4959398 PPSSEIXYXUAHHI-TXPKVOOTSA-N 322.364 4.430 10 40 DICB COc1ccc(/C=C\C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 33678839 OUXKHRHTBMBHHH-KPAKVRDSSA-N 318.376 4.058 10 40 DICB O=C(O)CSC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 5496643 AYVDJNSQVAPOCN-ISLYRVAYSA-N 315.354 4.452 10 40 DICB O=C1N=C(Nc2ccccc2)S/C1=C/c1ccc(F)c(F)c1 96767602 AVLHBJSXNAUFOO-NTEUORMPSA-N 316.332 4.047 10 40 DICB Cc1cc(C(=O)N(C)[C@@H](C)C2CC2)c(C)n1-c1ccccc1F 95350127 HYBMZOMXCHCGPC-ZDUSSCGKSA-N 314.404 4.104 10 40 DICB Cc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)o1 409329302 DIQWWTWWNUOOLX-JYRVWZFOSA-N 319.382 4.133 10 40 DICB COc1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 4172112 IPNOZTJAHBNSAK-VKJFTORMSA-N 321.376 4.220 10 40 DICB Cc1ccsc1/C=C1/SC(=S)N(c2ccccc2)C1=O 1025312 INLUHCXCXYTBKQ-UKTHLTGXSA-N 317.460 4.462 10 40 DICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cccc(C)c1 4359055 BJWJCDLVDFWWGK-UNOMPAQXSA-N 319.408 4.330 10 40 DICB COc1cc(N(C)C)ccc1/C=C/c1ccnc2ccccc12 6374994 FFMXFPXDHXFMNV-CMDGGOBGSA-N 304.393 4.480 10 40 DICB CC[C@@H](N[C@@H](C)c1cn(C(C)(C)C)nc1C)c1ccccc1O 158143628 COGMSAJJBPHIMC-SUMWQHHRSA-N 315.461 4.454 10 40 DICB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1ccc(N(C)C)cc1)N2 817729 WJUKONFDYQYLHE-HXUWFJFHSA-N 318.424 4.205 10 40 DICB c1ccc(-c2nonc2/N=N\c2nonc2-c2ccccc2)cc1 101660277 IBCVZHNDCABNPF-ZCXUNETKSA-N 318.296 4.202 10 40 DICB Oc1c([C@@H](Nc2nccs2)c2ccco2)ccc2cccnc12 90445 LPJQAEKOHLINHT-OAHLLOKOSA-N 323.377 4.191 10 40 DICB COC(=O)c1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 6950665 AXPWJTYFBXKYOP-HDMKZQKVSA-N 323.367 4.439 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2 6962865 PFGCNXRRTGJVMR-RKVPGOIHSA-N 321.380 4.433 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)cc(C)cc1C 59366325 NBRISAUMKOAXIH-XDHOZWIPSA-N 304.393 4.418 10 40 DICB Oc1c([C@H](Nc2ccccn2)c2ccco2)ccc2cccnc12 97939587 HVKVOEPTDGRNGU-SFHVURJKSA-N 317.348 4.130 10 40 DICB COc1cccc(-n2c(C)ccc2-c2ccc([N+](=O)[O-])cc2)c1 199732825 UHSFDFBWOZBAIS-UHFFFAOYSA-N 308.337 4.370 10 40 DICB CCc1ccccc1N/C=C1\C(=O)N(c2cccc(C)c2)N=C1C 408535991 VCJHPRPTZQTPSY-AQTBWJFISA-N 319.408 4.276 10 40 DICB Cc1ccccc1NC1=NC(=O)/C(=C\c2cccc(F)c2)S1 4464992 ULSMLEVMWHZOPK-XNTDXEJSSA-N 312.369 4.217 10 40 DICB CCCCCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 2666855 QVFOUQZVPIASQB-KAMYIIQDSA-N 321.467 4.087 10 40 DICB C[n+]1c(/C=C/c2ccc([N+](C)(C)C)cc2)ccc2ccccc21 5535488 CSSVPYKFAZWJSM-UKTHLTGXSA-N 304.437 4.031 10 40 DICB Cc1ccc(C)c(NC(=O)/C=C/c2ccc3c(c2)CCCN3C)c1 58175754 HONZJPCZPBLPBY-PKNBQFBNSA-N 320.436 4.338 10 40 DICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(F)cc1 100535568 VPDXKAKSNFZHIJ-WQRHYEAKSA-N 323.371 4.161 10 40 DICB COC(=O)c1ccccc1/N=N/Nc1cccc(SC)c1 17004747 OARMFIXNNFGKDU-UHFFFAOYSA-N 301.371 4.306 10 40 DICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 59267047 SLSSOGBNYLVCRS-IIDMSEBBSA-N 309.340 4.350 10 40 DICB Cc1cccc(CN(C)Cc2cc(Cl)cc(C)c2O)c1O 1760412 SEQPALHQCJBUCE-UHFFFAOYSA-N 305.805 4.000 10 40 DICB C[n+]1c(/C=C/c2ccc(N3CCCC3)cc2)sc2ccccc21 5390216 XLOBBUJQRFADFN-UHFFFAOYSA-N 321.469 4.496 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)cc1 13590630 PWNCKHSSTFYPTC-WJDWOHSUSA-N 311.772 4.059 10 40 DICB O=C1/C(=C\c2ccc3ccccc3c2)SC(=S)N1C1CC1 98054137 CVYQGKYDULPNAG-XNTDXEJSSA-N 311.431 4.203 10 40 DICB COc1ccc(Cl)cc1/N=N\S(=O)(=O)c1ccc(C)cc1 104047201 NOHKMPSUWVUIMD-MSUUIHNZSA-N 324.789 4.130 10 40 DICB Cc1ccc(Cc2ccc(CO)n2Cc2ccc(F)cc2)cc1 226029912 LSHAYAYGTHDAPB-UHFFFAOYSA-N 309.384 4.067 10 40 DICB O=C1/C(=C/Nc2ccccc2)SC(=S)N1C1CCCCC1 13573461 TUWUUOYYFGPBGZ-KAMYIIQDSA-N 318.467 4.133 10 40 DICB Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 43142160 LSFLEOUGKLRJIF-UHFFFAOYSA-N 323.440 4.225 10 40 DICB COC(=O)c1sc2c(cnc3c(C(C)C)cccc32)c1O 62719791 JCJOKTJPDKVXOO-UHFFFAOYSA-N 301.367 4.065 10 40 DICB COc1ccc2[nH]cc(/C=C3\C(=O)Nc4cccc(Cl)c43)c2c1 8781890 XVUXXBUDHZACRU-QPEQYQDCSA-N 324.767 4.323 10 40 DICB Cc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)o1 5376684 CFMHIEKHWOAKSN-MDWZMJQESA-N 318.785 4.324 10 40 DICB CCC[C@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O 78939416 XCRKXCHKIFLGPQ-HNNXBMFYSA-N 315.413 4.340 10 40 DICB Cc1cc(C(=O)O)c(C)n1-c1ccc(OCc2ccccc2)cc1 20285435 VVBAOUFPPUYTDI-UHFFFAOYSA-N 321.376 4.371 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(C)c(C)c1 112109458 BGRGUFVPQLLPHA-CYVLTUHYSA-N 319.408 4.412 10 40 DICB Cc1ccc(C(=O)NCc2ccccc2-n2c(C)ccc2C)cc1 1404107 RPRHNZNFKIKUPX-UHFFFAOYSA-N 318.420 4.333 10 40 DICB Cc1ccc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(N(C)C)cc1 228925907 RNGTUWSQERYZHI-UHFFFAOYSA-N 321.380 4.427 10 40 DICB CCc1ccc(C2=C/C(=C/c3ccc(OC)cc3)C(=O)O2)cc1 4852813 PNCMGEMBMVAJGZ-ATVHPVEESA-N 306.361 4.239 10 40 DICB Cc1cc2nc(N[C@H](C)c3ccccc3O)c3ccccc3n2n1 26707261 RHFLMLDZNKGLLE-CYBMUJFWSA-N 318.380 4.070 10 40 DICB COc1ccc(C)cc1-n1c(C)cc(C(=O)C(F)(F)F)c1C 41546974 HTGZLCDPLMPLOG-UHFFFAOYSA-N 311.303 4.156 10 40 DICB Cc1ccc(C)n1-c1ccc(OC(=O)c2cccc(F)c2)cc1 408737246 AZLKUIQHIKOPGB-UHFFFAOYSA-N 309.340 4.452 10 40 DICB COc1cc(/C=C/c2ccnc3ccccc23)ccc1N(C)C 6375159 XRJTZHYLYFIJKG-CSKARUKUSA-N 304.393 4.480 10 40 DICB CC(C)OC(=O)c1ccc(/N=N/c2ccc(O)c(C=O)c2)cc1 70462712 XFDIMQLBEQXKBL-VHEBQXMUSA-N 312.325 4.185 10 40 DICB Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 227157464 KJSHLIIACMOARX-UHFFFAOYSA-N 312.756 4.435 10 40 DICB CCc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)s1 409042179 BTKWUELOTNJYTR-GHXNOFRVSA-N 311.497 4.168 10 40 DICB O=C(O)CCCCCNc1c2ccccc2nc2ccccc12 3892263 UGOCKNBOLYNHSB-UHFFFAOYSA-N 308.381 4.445 10 40 DICB COc1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4140452 LFUBJNKOGZYMIF-WTANOLMUSA-N 322.364 4.430 10 40 DICB COc1ccc2cc(C3=C/C(=C/c4ccco4)C(=O)O3)ccc2c1 408723288 SSBXTONKGAGQPA-WJDWOHSUSA-N 318.328 4.423 10 40 DICB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccccc1 2412517 LZDWDKCNADFWPW-UVTDQMKNSA-N 315.394 4.232 10 40 DICB Cc1cc([N+](=O)[O-])c2c(c1C)[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 4450168 MCNJIEZWPGNTHD-SUNYJGFJSA-N 321.380 4.433 10 40 DICB CCN(CC)c1ccc(CNC(=O)CCc2ccc(C)cc2)cc1 195646095 AOBHQYJGRYCRPA-UHFFFAOYSA-N 324.468 4.090 10 40 DICB O=C1c2cccc(Cl)c2C(=O)c2c(Cl)ccc(Cl)c21 5234081 ISPZGSLKFNLVQT-UHFFFAOYSA-N 311.551 4.422 10 40 DICB COc1cccc(/C=C2/SC(Nc3ccccc3C)=NC2=O)c1 11640027 WWYOZDRLGCDDSS-LFIBNONCSA-N 324.405 4.086 10 40 DICB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 802455 SLSSOGBNYLVCRS-DAYGRLMNSA-N 309.340 4.350 10 40 DICB Cc1cc(C=O)c(C)n1-c1ccc(Cl)cc1Br 131960687 JJNAOKHJDWWBHO-UHFFFAOYSA-N 312.594 4.323 10 40 DICB CSc1ccc(CN(C)Cc2cc(C)c(C)cc2O)cc1 22339998 COOODEIKOOGGCE-UHFFFAOYSA-N 301.455 4.363 10 40 DICB O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1c1ccccc1 59228950 GPHZAKNOCCHYEO-NBVRZTHBSA-N 314.344 4.114 10 40 DICB CCNCc1cc2c(cc1OC)N(C(C)C)C(C)(C)C=C2C 223801037 ZJHGJRVQNXCCEK-UHFFFAOYSA-N 302.462 4.215 10 40 DICB O[C@@H](c1cc2c(cc1/N=N/c1ccccc1)OCCO2)C1CC1 39606198 QZQACLSPYVSZBM-MLSMBGFSSA-N 310.353 4.317 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 409151527 HMFSVPKACFXCBR-GPMSIDNRSA-N 320.392 4.003 10 40 DICB CC(=C/c1ccccc1)/C=C1/SC(Nc2cccnc2)=NC1=O 8673045 XQWFQRNOZYZXFI-OBHNZGETSA-N 321.405 4.110 10 40 DICB CC(=O)Nc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 16321189 XAMYMUDATBHJBC-UHFFFAOYSA-N 303.365 4.334 10 40 DICB O=C(NCc1cc[nH]n1)Nc1ccc(/N=N/c2ccccc2)cc1 40119924 CMXCLEYPOZCIEZ-GHVJWSGMSA-N 320.356 4.147 10 40 DICB Cc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(C)n1C 409113218 ABLVYBKADJWPDV-WQRHYEAKSA-N 308.425 4.185 10 40 DICB COc1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4140451 LFUBJNKOGZYMIF-FRIZHTMISA-N 322.364 4.430 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 227059452 WTYCGPVTIZZJEE-GPMSIDNRSA-N 322.364 4.430 10 40 DICB Oc1ccccc1CNc1ccc2c(c1)ncn2-c1ccccc1 497927 BKPZVJSYIQOMSS-UHFFFAOYSA-N 315.376 4.343 10 40 DICB CCOc1ccccc1/N=N/c1cc(C)c(O)c(C(=O)O)c1 70461950 XIOHCZZQOMXQGF-ISLYRVAYSA-N 300.314 4.213 10 40 DICB Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 408790841 RIJUVQZRBWVTPO-BQYQJAHWSA-N 321.174 4.104 10 40 DICB CCOc1c(/N=N/c2ccccc2C)c(C)nn1C(=S)S 17142280 PVYASQABDYQCPH-FOCLMDBBSA-N 320.443 4.377 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 409160127 SQUCJERBCKRZFQ-VCBZYWHSSA-N 320.392 4.003 10 40 DICB CCN(CC)c1ccc(/C=C2\C(=O)N(CC)c3ccccc32)cc1 409119466 UGKOOCDZYMVDMV-CYVLTUHYSA-N 320.436 4.440 10 40 DICB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1O 66689 DMESJQVQNKHJKT-MHWRWJLKSA-N 322.360 4.081 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 6950530 CMDGJJCLNWBRGT-MDZRGWNJSA-N 323.367 4.439 10 40 DICB O=C(O)[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]12 4132237 JHGJAWDFYUSZLM-IIDMSEBBSA-N 307.349 4.017 10 40 DICB Cc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1N1CCCC1 33673346 MHUQFRNQUSYOMN-LGMDPLHJSA-N 304.393 4.088 10 40 DICB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(CC)C1=O 409330532 KOWHZWDEXIPEIG-HKLRHMNMSA-N 321.467 4.085 10 40 DICB Cc1ccc2nc(-c3ccc(O)c(O)c3)c(NC3CCCC3)n2c1 34791389 WEQBLNUDEVWGCQ-UHFFFAOYSA-N 323.396 4.075 10 40 DICB COc1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4140520 IPNOZTJAHBNSAK-DAYGRLMNSA-N 321.376 4.220 10 40 DICB CSc1ccc(NCc2cc(Br)ccc2O)cc1 44836285 CAQZFYPFUQHEDV-UHFFFAOYSA-N 324.243 4.489 10 40 DICB CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1 19736803 ZXTOHUBZLJDIMN-KGLIPLIRSA-N 312.413 4.188 10 40 DICB CCN1c2cc(OC)c(CNC(C)C)cc2C(C)=CC1(C)C 223823024 CVNHJMMKOGHFBZ-UHFFFAOYSA-N 302.462 4.215 10 40 DICB O=C1/C(=C/c2ccco2)SC(=S)N1c1ccc(Cl)cc1 2219337 CWFUXQIONFFNDD-WQLSENKSSA-N 321.810 4.339 10 40 DICB CCCCCN1C(=O)/C(=C/c2sccc2C)SC1=S 2666841 RGHOHVAUOUHTHA-XFXZXTDPSA-N 311.497 4.448 10 40 DICB Cc1ccc(N(Cc2ccc(N)cc2)C(=O)c2cccs2)cc1 415354 FCTWVERAPQNCRR-UHFFFAOYSA-N 322.433 4.486 10 40 DICB CC(C)(C)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 9927838 ZEBASPPMQOFYBE-DHZHZOJOSA-N 311.859 4.340 10 40 DICB COC(=O)c1cccc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 226791464 WKJHFTHYCJZRFD-VKJFTORMSA-N 305.377 4.300 10 40 DICB COc1ccc(N2CO[C@H]3c4cccc5cccc(c45)[C@@H]32)cc1 4661573 BYQXURRZEZYMMJ-PMACEKPBSA-N 303.361 4.439 10 40 DICB CCOC(=O)c1ccc2nc3ccc4ccccc4c3nc2c1 408722509 VACWTFGDMUPBDF-UHFFFAOYSA-N 302.333 4.113 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 94402 JXLCUIWCBDHCOA-SUMDDJOVSA-N 305.377 4.300 10 40 DICB Cc1ccccc1NC1=NC(=O)/C(=C/c2sccc2C)S1 7165856 YKRNQUNXJYQWAP-ZROIWOOFSA-N 314.435 4.447 10 40 DICB CCOc1c(/N=N\c2ccccc2C)c(C)nn1C(=S)S 104241141 PVYASQABDYQCPH-NXVVXOECSA-N 320.443 4.377 10 40 DICB COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3)c2)cc1 216725828 YCWPQUWUCWUCIS-HXUWFJFHSA-N 320.392 4.021 10 40 DICB Cc1cccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)c1 9188469 GVHANGKJXBEYGR-ZROIWOOFSA-N 315.419 4.302 10 40 DICB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 13389124 PPSSEIXYXUAHHI-MDZRGWNJSA-N 322.364 4.430 10 40 DICB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccnc1 9373475 FGAYXLYDAUFBHP-VVGDYKIKSA-N 324.430 4.044 10 40 DICB CCCNCc1cc2c(cc1OC)N(CC)C(C)(C)C[C@H]2C 260722412 OKBKLZKTBWMECP-CQSZACIVSA-N 304.478 4.307 10 40 DICB Cc1ccsc1/C=C1\SC(Nc2ccccc2)=NC1=O 7165591 VMGQXYMZDZVUPN-LCYFTJDESA-N 300.408 4.139 10 40 DICB CC1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)CC1 4481761 DIVSAMJJAPQARK-GXDHUFHOSA-N 320.845 4.042 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 6954240 DTESZWMJUGQZQJ-PJIJBLCYSA-N 322.364 4.430 10 40 DICB COc1ccc2nccc(/C=C/c3ccc(N(C)C)cc3)c2c1 37866039 RXSOBQRGVGGANL-QPJJXVBHSA-N 304.393 4.480 10 40 DICB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@@H](c1ccccc1O)N2 818063 BXVWLYWLNKONLJ-IBGZPJMESA-N 305.381 4.153 10 40 DICB Cc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)c(C)c1 2999074 JAZIMXQMPARBRH-ZROIWOOFSA-N 315.419 4.302 10 40 DICB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCC[C@H](O)C1 43189320 BEYROHLYLFKJMY-UAFUQJIBSA-N 324.384 4.091 10 40 DICB COc1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 1461953 IPNOZTJAHBNSAK-RVKKMQEKSA-N 321.376 4.220 10 40 DICB CCOc1ccc(/N=N\c2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 104249800 NMBHOMSCNRZJGR-NXVVXOECSA-N 316.273 4.317 10 40 DICB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)c1 4151333 JRAQFPDPZOUMRM-BXWFABGCSA-N 321.376 4.220 10 40 DICB Cc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1C 5374633 UNKGRUBPGKKAIG-ZROIWOOFSA-N 314.435 4.037 10 40 DICB Oc1ccc(Cl)cc1CNc1ccc(Br)cc1 19923185 SIMKQPGMSSJVEX-UHFFFAOYSA-N 312.594 4.420 10 40 DICB COc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1C 29656411 QYPWFWRWRRCIIO-NRFANRHFSA-N 318.420 4.278 10 40 DICB O=c1cc(-c2ccc(O)c(O)c2)oc2ccc3ccccc3c12 38936 CHJYKPALQWHBFY-UHFFFAOYSA-N 304.301 4.024 10 40 DICB biogenic Cc1ccc(C)c(N2C(=O)/C(=C\c3ccco3)SC2=S)c1 5371558 PWNHFGJQTHBEQP-NTEUORMPSA-N 315.419 4.302 10 40 DICB COc1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)c1 58929348 UYOFIZBMWGYAKB-VKJFTORMSA-N 322.364 4.430 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cccc(C)c1 5333825 IBPBGQXTLXGLTP-PDGQHHTCSA-N 305.381 4.022 10 40 DICB Cc1ccc(NC(=O)NCCCSc2nccs2)cc1C 75109142 UUFFYRGPXMLCSE-UHFFFAOYSA-N 321.471 4.064 10 40 DICB O=[N+]([O-])c1ccc(Cl)c(NCc2cc(Cl)ccc2O)c1 37060169 OBWOAHGZZJWJCS-UHFFFAOYSA-N 313.140 4.219 10 40 DICB O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(F)cc1 1198334 XZNOXUJMSIYRNA-XYOKQWHBSA-N 321.423 4.293 10 40 DICB COC(=O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 6950681 APJXCLSAQYCVES-JCGVRSQUSA-N 323.367 4.439 10 40 DICB CCOc1ccc(O)c(C2Nc3cccc4cccc(c34)N2)c1 70453971 RTFOONJGGMZBLN-UHFFFAOYSA-N 306.365 4.480 10 40 DICB Cc1cc([C@@H]2CCCCCN2Cc2ccc(N(C)C)cc2)on1 19120264 HDNXOPQCKZVWOG-SFHVURJKSA-N 313.445 4.166 10 40 DICB COc1ccc(-c2cnc(SC)n2Cc2ccccc2)cc1 44085439 KUNVRTGRAJGTBM-UHFFFAOYSA-N 310.422 4.329 10 40 DICB COc1ccccc1/[N+]([O-])=N/c1ccc(Br)cc1 76495276 DENQYIUDRMXRSE-NXVVXOECSA-N 307.147 4.383 10 40 DICB Cn1c(-c2ccccc2)cnc1NCc1cc(Cl)ccc1O 819064 DDKNQLXCEDHYBP-UHFFFAOYSA-N 313.788 4.058 10 40 DICB Cc1cc(/C=C/C(=O)Nc2nccs2)c(C)n1-c1ccccc1 7813761 PJYZROFILINALY-CMDGGOBGSA-N 323.421 4.203 10 40 DICB CCN(CC)c1ccc(CNC(=O)c2ccccc2Cl)cc1 223674426 UQTMOBWDMJNELY-UHFFFAOYSA-N 316.832 4.116 10 40 DICB Cc1ccc(C)c(C2=C/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)c1 208322 WYAAEJCSTJYESB-NVNXTCNLSA-N 320.344 4.013 10 40 DICB CCCCN1c2cc(OC)c(CNC)cc2[C@@H](C)CC1(C)C 223784091 VWLQHUPCCKGTAW-AWEZNQCLSA-N 304.478 4.307 10 40 DICB COc1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)c1 6954635 UYOFIZBMWGYAKB-MPGHIAIKSA-N 322.364 4.430 10 40 DICB OC1=NC(=S)S/C1=C/c1ccc(N2CCCCCC2)cc1 56696844 HVFOUXXFFOYVKM-SDNWHVSQSA-N 318.467 4.396 10 40 DICB CN(C)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 36644203 QLORXNJYCJIROQ-UHFFFAOYSA-N 309.196 4.312 10 40 DICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1cccc(C)c1 100040772 BJWJCDLVDFWWGK-XDHOZWIPSA-N 319.408 4.330 10 40 DICB COCC[n+]1c(-c2ccccc2)csc1Nc1ccccc1 26570167 VAXXZRNBIVQFOO-UHFFFAOYSA-O 311.430 4.093 10 40 DICB CCc1ccccc1NCc1cc(Br)ccc1O 76275379 BIXADIZHMFSIDK-UHFFFAOYSA-N 306.203 4.329 10 40 DICB O=C(O)c1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@H]21 409156636 LHPPALLBXHLORC-SNUQEOBHSA-N 309.340 4.350 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 6954215 DTESZWMJUGQZQJ-BIENJYKASA-N 322.364 4.430 10 40 DICB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 58850795 YDEWQHZEEYRQSE-GJYPPUQNSA-N 320.392 4.085 10 40 DICB O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(Cl)cc1 13536572 LOSOWJWFLZCDOF-KAMYIIQDSA-N 320.845 4.186 10 40 DICB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccco1 4426163 SKTLOAURVNMDGO-WQLSENKSSA-N 304.758 4.015 10 40 DICB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)c1 62225723 GGNAULITTCVKTP-UHFFFAOYSA-N 322.452 4.224 10 40 DICB CCc1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1 5372238 SINTWDUMJFNWHV-RAXLEYEMSA-N 305.468 4.249 10 40 DICB O=C(O)c1ccc(CNc2ccc(Nc3ccccc3)cc2)o1 8702220 NGNORDSWCTUWMA-UHFFFAOYSA-N 308.337 4.334 10 40 DICB COc1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@@H]21 226907417 IOULMYZLOXACCS-FHSNZYRGSA-N 322.364 4.430 10 40 DICB O=c1oc2ccc(Cl)cc2nc1Nc1ccccc1Cl 255189590 QWVMLENRVAFBOX-UHFFFAOYSA-N 307.136 4.238 10 40 DICB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4333649 DQMLXAJMYIWCKH-ZQIUZPCESA-N 309.340 4.350 10 40 DICB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc(Cl)cc1 88871 NADKACHHBJNHNB-UKTHLTGXSA-N 300.716 4.460 10 40 DICB Cc1cccc(C)c1NCc1cc(Br)ccc1O 44836147 GKXLEMOVWCHZQS-UHFFFAOYSA-N 306.203 4.384 10 40 DICB CCCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 54360638 KXNPZWNHTJJYHX-QKFASICWSA-N 323.870 4.421 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 6960340 RILJJSJBUAFIQJ-TXPKVOOTSA-N 320.392 4.003 10 40 DICB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cnsn1 12289016 NBPRBPCHNFMFCV-VHEBQXMUSA-N 309.354 4.206 10 40 DICB Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccs2)cc1 22371741 YMFRJIADPUXIOG-UHFFFAOYSA-N 310.422 4.086 10 40 DICB COc1ccc(N2CCC(N[C@H](C)c3ccccc3C)CC2)cc1 95967115 XLUZUCYVIXICCO-QGZVFWFLSA-N 324.468 4.323 10 40 DICB Cc1ccc(C)n1-c1ccc(OC(=O)c2ccccc2F)cc1 408737642 FODCKIIBRUXOGQ-UHFFFAOYSA-N 309.340 4.452 10 40 DICB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 6952865 WMKWGUQKULHQAR-SUNYJGFJSA-N 322.364 4.430 10 40 DICB CC(=O)Nc1cc(/N=N/c2ccccc2)c(C)c(NC(C)=O)c1 100369039 ITXPVCPHNFIJFO-QZQOTICOSA-N 310.357 4.327 10 40 DICB COc1cccc(-n2c(-c3ccccc3)cc(C(=O)O)c2C)c1 108237345 MPPVBVYZNINLDQ-UHFFFAOYSA-N 307.349 4.160 10 40 DICB COc1ccc(C2=C/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 408742498 PHPHRGRFQLTDAX-BDKUJZOCSA-N 304.345 4.233 10 40 DICB O=C(O)c1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@H]21 409156637 LHPPALLBXHLORC-VEVIJQCQSA-N 309.340 4.350 10 40 DICB CCOC(=O)c1cccc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21 58850768 PDSWWGWTNCMTGM-VKJFTORMSA-N 320.392 4.085 10 40 DICB CCC[C@@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O 78939408 XCRKXCHKIFLGPQ-OAHLLOKOSA-N 315.413 4.340 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(Cl)c1 15134007 YBTMJDLMKIJCCC-WJDWOHSUSA-N 311.772 4.059 10 40 DICB Cc1ccc(C)c(NCc2cc(Br)ccc2O)c1 76275352 POULXXONYRTNGG-UHFFFAOYSA-N 306.203 4.384 10 40 DICB COc1cccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)c1 5417209 BCWRZGUPBJAZGA-LICLKQGHSA-N 306.361 4.293 10 40 DICB Cc1cc(Br)c2oc(Cc3ccc(N)cc3)nc2c1 62719921 PFWWRTZHEJZMJN-UHFFFAOYSA-N 317.186 4.072 10 40 DICB COC(=O)c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1 94409 UQTHKOJLUAKIEL-DAYGRLMNSA-N 323.367 4.439 10 40 DICB Cc1ccc(-c2noc([C@@H](C)Sc3nccs3)n2)cc1F 52914276 TXGBUYTXXJBAIY-SECBINFHSA-N 321.402 4.494 10 40 DICB CCN(CC)c1ccc(CNC(=O)Cc2ccc(C)c(C)c2)cc1 225531135 IQRYWSRLZUVKQG-UHFFFAOYSA-N 324.468 4.009 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C/c3ccccc3C)S2)cc1 5588539 TUZKGQYUYWECHT-WJDWOHSUSA-N 308.406 4.386 10 40 DICB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@H](c1ccccc1O)N2 818064 BXVWLYWLNKONLJ-LJQANCHMSA-N 305.381 4.153 10 40 DICB COc1ccc2c(-c3sc4ccccc4c3O)cc(=O)oc2c1 12973938 RKRPFFFGZBRJOS-UHFFFAOYSA-N 324.357 4.389 10 40 DICB Cc1ccc(NCc2cc(Br)ccc2O)c(C)c1 76275373 PYGBAWVTXCYMNA-UHFFFAOYSA-N 306.203 4.384 10 40 DICB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(C)cc1C 100049651 KLQVCADYSBUVAV-NRTINQSCSA-N 306.369 4.178 10 40 DICB Cc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)s1 1137124 UWOFZDKUTHQWAD-KPKJPENVSA-N 321.448 4.051 10 40 DICB CCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 5793609 DXQMGVWDXFCGGB-XMHGGMMESA-N 320.392 4.282 10 40 DICB CCOC(=O)c1sc2nc(C)cc(-c3ccccc3)c2c1N 500465 VLNSPVAFXGXWQI-UHFFFAOYSA-N 312.394 4.031 10 40 DICB COc1cccc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)c1 4159809 JPVIJXIJZUJCDE-WJDWOHSUSA-N 324.405 4.086 10 40 DICB O=C(O)c1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1 4298452 MLMWCBTXCKPKTH-GRDNDAEWSA-N 309.340 4.350 10 40 DICB O=C1c2ccccc2C(=O)c2c1cc(Cl)c(Cl)c2Cl 39427241 DCKYBPULWXTYJB-UHFFFAOYSA-N 311.551 4.422 10 40 DICB CN(C)c1ccc(CNc2ccc3ccccc3c2)cc1[N+](=O)[O-] 226242024 CGFAIDVGCODCHA-UHFFFAOYSA-N 321.380 4.426 10 40 DICB CN(C)c1ccc(/N=N/c2ccc(/C=C3/CCOC3=O)cc2)cc1 16943525 GPFASNIOUAZMPH-KVIRKOMCSA-N 321.380 4.498 10 40 DICB COc1ccc(/N=N/c2c(C)nn(-c3ccccc3)c2O)cc1 100478047 SBNTXAIGPHOYFZ-VHEBQXMUSA-N 308.341 4.310 10 40 DICB Cc1ccc(C)n1-c1ccc(NC(=O)c2ccccc2F)cc1 4054603 KOVMGZRHUXRSFL-UHFFFAOYSA-N 308.356 4.486 10 40 DICB CC(C)n1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409339047 RHAVTZLMBFAUGD-ZSOIEALJSA-N 316.451 4.053 10 40 DICB CCOc1c(/N=N/c2ccccc2)c(C)nn1C(=S)S 18191295 OEHNKBSUCFUWIG-CCEZHUSRSA-N 306.416 4.068 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21 409150794 DXQMVOZYLODRDA-RVKKMQEKSA-N 307.353 4.125 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21 6960352 HMFSVPKACFXCBR-TXPKVOOTSA-N 320.392 4.003 10 40 DICB COC(=O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 226894422 LGPZBUGLIGHIJW-VKJFTORMSA-N 323.367 4.439 10 40 DICB CCc1cccc2c(/C=C3\C(=O)N(C)c4ccccc43)c[nH]c12 12613743 IUCTUKHLPHQDCN-BOPFTXTBSA-N 302.377 4.247 10 40 DICB Nc1ccc2nn(-c3ccccc3)nc2c1/N=N/c1ccccc1 4753894 KYYNVAIAQBZORN-QZQOTICOSA-N 314.352 4.418 10 40 DICB Cc1cc(C(=O)N(C)[C@H](C)C2CC2)c(C)n1-c1ccccc1F 95350128 HYBMZOMXCHCGPC-CYBMUJFWSA-N 314.404 4.104 10 40 DICB CC(C)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1446642 AYYRWTFLYSCVSC-GHXNOFRVSA-N 311.859 4.197 10 40 DICB O=C1/C(=C/C=C/c2ccco2)SC(=S)N1C1CCCCC1 4387517 NXBVXBGQGIWKNP-NDUUIVGLSA-N 319.451 4.370 10 40 DICB COc1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 4140518 IPNOZTJAHBNSAK-RLFYNMQTSA-N 321.376 4.220 10 40 DICB COc1ccccc1N/C=C1/C(=S)N(c2ccccc2)N=C1C 100932282 WPQACAJRPDSLOT-NTCAYCPXSA-N 323.421 4.215 10 40 DICB COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 970816 WTYCGPVTIZZJEE-FCEWJHQRSA-N 322.364 4.430 10 40 DICB CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 2707229 QSXUWYRFFJILLM-KAMYIIQDSA-N 305.468 4.386 10 40 DICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc(C)ccc1C 95471523 GQDTYCRFPZVSMN-BOPFTXTBSA-N 323.371 4.161 10 40 DICB Cc1cc([C@@H]2CCCCCN2Cc2cc(Cl)ccc2O)on1 19120227 GYSKLUJTQGEWCR-HNNXBMFYSA-N 320.820 4.459 10 40 DICB Cc1cc(CO)c(C)n1-c1ccc(Br)cc1Cl 223706014 QOWQRYZDSQFEQU-UHFFFAOYSA-N 314.610 4.002 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 409159051 PWFZDEPBBRKWTJ-LPMFXHHGSA-N 323.367 4.439 10 40 DICB CC[C@@H](C)[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5531358 VIXKCWTWOBFMSB-PXAZEXFGSA-N 308.381 4.299 10 40 DICB COc1ccccc1/C=C1\C=C(c2cc(C)ccc2C)OC1=O 409053314 OHTIOLPCKOKYBB-LFIBNONCSA-N 306.361 4.293 10 40 DICB O=C1c2ccccc2C2=NN=C(c3ccccc3)Cc3cccc1c32 480657 AQSZUIAXTWZAMK-UHFFFAOYSA-N 322.367 4.029 10 40 DICB Cc1ccc(C2=C/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)c(C)c1 8565111 YATYVCGSQIGKGZ-OVCLIPMQSA-N 320.344 4.013 10 40 DICB COc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 13389369 LFUBJNKOGZYMIF-OHNRDTAOSA-N 322.364 4.430 10 40 DICB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1c1cccnc1 12954434 FGAYXLYDAUFBHP-JBZDNPHWSA-N 324.430 4.044 10 40 DICB CCc1ccc(NCc2cc(Br)ccc2O)cc1 257163 NCPIGKWVIZATAU-UHFFFAOYSA-N 306.203 4.329 10 40 DICB Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(N(C)C)cc1 228929129 CWELLYQJNRBQQX-UHFFFAOYSA-N 321.380 4.427 10 40 DICB COc1cccc2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 2578388 IPNOZTJAHBNSAK-MPGHIAIKSA-N 321.376 4.220 10 40 DICB C[C@H]1CCCCN1C1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 59475383 QMQFSZZMQTUHLP-IWQAVIMZSA-N 320.845 4.185 10 40 DICB COCCCNCc1cc(C)n(-c2cccc(Cl)c2C)c1C 223672365 IRTYBKNAFPBASA-UHFFFAOYSA-N 320.864 4.182 10 40 DICB Cc1cc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)cc1C 225645353 DOWUDKNRVFBYCG-UHFFFAOYSA-N 322.452 4.142 10 40 DICB Cc1nn(C(N)=S)c(-c2ccccc2)c1/N=N/c1ccccc1 16928679 REMSGPDULBFCHU-FMQUCBEESA-N 321.409 4.366 10 40 DICB CCCn1c(NC(=O)Nc2cccc(OC)c2)nc2ccccc21 27923620 GVASUNQGANWKIO-UHFFFAOYSA-N 324.384 4.099 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(C)c(C)c1 6205551 WOAPYOUCCKFVLF-LDADJPATSA-N 305.381 4.022 10 40 DICB COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 6950497 PBKJMCGUCIECBK-GJYPPUQNSA-N 305.377 4.300 10 40 DICB COC(=O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 409150172 APJXCLSAQYCVES-VBHSOAQHSA-N 323.367 4.439 10 40 DICB c1cc2c(cc1CNCC1C3CC4CC(C3)CC1C4)CCCO2 1565516733 UKWGTQVKXQZHCQ-UHFFFAOYSA-N 311.469 4.174 10 40 DICB Oc1ccc(Br)cc1CNc1ccc2c(c1)CCC2 44836141 GUKAMTNPNSVSFR-UHFFFAOYSA-N 318.214 4.256 10 40 DICB CCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 2923920 SXNSXXMBFHGHDC-XFXZXTDPSA-N 311.859 4.341 10 40 DICB CC(=O)Nc1cc(/N=N\c2ccccc2)c(C)c(NC(C)=O)c1 3844845 ITXPVCPHNFIJFO-MRCUWXFGSA-N 310.357 4.327 10 40 DICB O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccc1F 1251074 JDHSMYTYWWNBLT-WQLSENKSSA-N 321.423 4.293 10 40 DICB COCc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1 55368369 XBAANVTVBJPODU-UHFFFAOYSA-N 324.424 4.076 10 40 DICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cccs1 103454024 KNSHITHZRQMTPD-NTEUORMPSA-N 302.786 4.208 10 40 DICB COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4140524 SIRAIUISTYRMQP-FCEWJHQRSA-N 321.376 4.220 10 40 DICB Nc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(Cl)c1 97944939 VTXMCYUFVDLMTM-FMQUCBEESA-N 312.764 4.106 10 40 DICB Cn1cccc1/C=C1/C(=O)N(c2ccccc2)c2ccccc21 409197058 UZQFCLNHVLSENF-NBVRZTHBSA-N 300.361 4.244 10 40 DICB Oc1ccc2ccncc2c1CN1CCC[C@@H]1c1cccs1 14246968 WPUVUXRLHWWNLK-MRXNPFEDSA-N 310.422 4.339 10 40 DICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 1107682 SLSSOGBNYLVCRS-RVKKMQEKSA-N 309.340 4.350 10 40 DICB COc1cc(N(C)C)c(OC)cc1/C=C1\C=Cc2ccccc21 1730572 CMFPYOKEZMUKHL-RVDMUPIBSA-N 307.393 4.337 10 40 DICB COc1ccc(C2=C/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 34138235 PYCHTYALXKCVFA-GXDHUFHOSA-N 312.752 4.330 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 4623318 UDEJMUPWFWOMJX-LBTNJELSSA-N 307.353 4.125 10 40 DICB COc1ccc([C@H]2CCN(Cc3cc(C)c(C)cc3O)C2)cc1 72061248 FZMGYLLFBSYFPT-KRWDZBQOSA-N 311.425 4.007 10 40 DICB COc1ccc(N2CO[C@H]3c4cccc5cccc(c45)[C@H]32)cc1 386604 BYQXURRZEZYMMJ-UXHICEINSA-N 303.361 4.439 10 40 DICB Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3ccccc32)cc1 3417667 OAAAIEKRMKOSGE-UHFFFAOYSA-N 316.404 4.297 10 40 DICB NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 101319080 YMCZVBKCPVOUFC-VKJFTORMSA-N 324.811 4.265 10 40 DICB CN(C)c1ccc(/C=C2\C(=O)Nc3ccccc32)c2ccccc12 13829399 VFCXONOPGCDDBQ-AQTBWJFISA-N 314.388 4.399 10 40 DICB C[C@H]1CCCCN1C1=NC(=O)/C(=C\c2cccc(Cl)c2)S1 59474368 NGAJNBWYJUWFKY-IWQAVIMZSA-N 320.845 4.185 10 40 DICB COc1ccc(Cl)cc1C(=O)C(=O)c1ccc(C)cc1Cl 8369813 DUSQCPFGTJERMD-UHFFFAOYSA-N 323.175 4.376 10 40 DICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1c(C)cccc1C 95471555 IIJHTURFZHFQSM-LDADJPATSA-N 319.408 4.330 10 40 DICB COc1cc2c(cc1OC)/C(=C\c1ccc(N(C)C)cc1)C=C2 2015801 AGPRWMSPKUNAAF-PTNGSMBKSA-N 307.393 4.337 10 40 DICB CCc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 5551829 UJCQEBPYLDYEFB-GXDHUFHOSA-N 315.419 4.248 10 40 DICB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 20757586 WMKWGUQKULHQAR-QWQRMKEZSA-N 322.364 4.430 10 40 DICB Cc1cc(/C=C/C(=O)O)c(C)n1-c1ccc(C(F)(F)F)cc1 32211640 ZZJYHTWLADXJCT-FPYGCLRLSA-N 309.287 4.211 10 40 DICB O=C(O)c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1 1461950 QZGKQUSGJHPTPW-RLFYNMQTSA-N 309.340 4.350 10 40 DICB CC(C)C[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5529148 JULJLHNDMPMRHL-KRWDZBQOSA-N 308.381 4.299 10 40 DICB COc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4007950 OSICTFVGWMISBJ-MPGHIAIKSA-N 322.364 4.430 10 40 DICB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1c(C)cc(C)cc1C 6370264 JNXYHRRTAXYNEU-PDGQHHTCSA-N 319.408 4.330 10 40 DICB Cc1ccc(C)c(C2=C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)c1 409051342 CHGWETILZWGVIB-XNTDXEJSSA-N 321.332 4.193 10 40 DICB Cc1csc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 3334460 YMICUKPVXHRMEE-UHFFFAOYSA-N 311.410 4.111 10 40 DICB O=[N+]([O-])c1cccc(/N=N/Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 5005305 SGNYOWZJBORBOX-UHFFFAOYSA-N 321.680 4.267 10 40 DICB CCOC(=O)[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]12 58850654 ZTWNUJLJHHUABC-VYUIOLGVSA-N 312.196 4.010 10 40 DICB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(C)C)[C@H]1CC=C[C@H]21 3998672 XGGJKNBTMWAYSB-XEZPLFJOSA-N 302.374 4.103 10 40 DICB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2O)cc1 10633681 ZEUADVZLFLUMGD-UHFFFAOYSA-N 306.365 4.052 10 40 DICB CCCCN1c2cc(OC)c(CNC)cc2C(C)=CC1(C)C 223799028 WMMDQEWUFPLPTF-UHFFFAOYSA-N 302.462 4.217 10 40 DICB O=C1/C(=C\c2ccccc2)SC(=S)N1C1CCCCC1 969852 JKMFIKLRISCBEN-SDNWHVSQSA-N 303.452 4.221 10 40 DICB CCOC(=O)c1cccc2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21 58850764 UMLRAUOJFGILJE-ZUEVXXBESA-N 320.392 4.085 10 40 DICB COc1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 4132696 BRPJGZYEWKTGOB-VEVIJQCQSA-N 322.364 4.430 10 40 DICB Cc1ccc(C2=C/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1 33315173 GRDDWHZTIBONIT-SFQUDFHCSA-N 305.377 4.042 10 40 DICB CC(C)[C@H]1CC(NCc2ccc(N(C)C)cc2)C[C@H](C(C)C)O1 524734174 FKVALROBMRHKRI-WOJBJXKFSA-N 318.505 4.070 10 40 DICB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4891615 WTYCGPVTIZZJEE-MDZRGWNJSA-N 322.364 4.430 10 40 DICB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 13471378 KUIVETCXSLFXSG-IIDMSEBBSA-N 307.353 4.125 10 40 DICB COc1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)cc1 199986 LLLAGPKZDDGWPV-UVTDQMKNSA-N 312.752 4.330 10 40 DICB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21 409160126 SQUCJERBCKRZFQ-CLCXKQKWSA-N 320.392 4.003 10 40 DICB Cc1ccc(-c2ccc(/C=C3\SC(=O)NC3=S)o2)cc1 13592198 RLGMEBXDBRCEQM-JYRVWZFOSA-N 301.392 4.380 10 40 DICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1515157 JVLADMZUXQWDJT-VKJFTORMSA-N 309.340 4.350 10 40 DICB O=C1[C@H]2CCCN2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 40545371 YAMIYYQZUVWUCX-ZBBYCGENSA-N 320.352 4.033 10 40 DICB CC(=O)c1ccc(/N=N/c2ccc(N3CCOCC3)cc2)cc1 4892330 ZBMDDVCGCBJPRB-FMQUCBEESA-N 309.369 4.141 10 40 DICB Cc1ccc(NC2=NC(=O)/C(=C\c3cccc(O)c3)S2)c(C)c1 6331110 JSVCCNGWVLQBEL-MHWRWJLKSA-N 324.405 4.091 10 40 DICB CCCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2707129 DJSHSWRNKNMFFX-XFXZXTDPSA-N 311.859 4.341 10 40 DICB