smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(C[C@]1(O)CCNC1)C(=O)c1cccc(O)c1O 97909499 PGAFFXYZXCKCPI-ZDUSSCGKSA-N 266.297 -0.106 10 10 CBCE CNC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 125685513 MMNPADDXYQPTQR-SECBINFHSA-N 267.285 -0.447 10 10 CBCE CN1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C(=O)N1 393910792 ZDSGYZFHFHPJFD-JTQLQIEISA-N 284.341 -0.967 10 10 CBCE CN1CCCc2cc(CNC(C(N)=O)C(N)=O)ccc21 695316827 NCEHJDVABUOGAE-UHFFFAOYSA-N 276.340 -0.502 10 10 CBCE CO[C@@]1(C(=O)O)CCN(C(=O)c2cc(O)nc(O)c2)C1 703778161 USAAFUMSJXEBLG-LBPRGKRZSA-N 282.252 -0.192 10 10 CBCE O=C(N[C@H]1C(=O)NC[C@@H]1C(=O)O)c1ccc(O)c(O)c1 2144414568 HKSNSBSAIVCUII-IMTBSYHQSA-N 280.236 -0.973 10 10 CBCE CNCc1cc(OC)ccc1N1CC(=O)NC(=O)C1 2227674519 BPXUEQUGSBUFKK-UHFFFAOYSA-N 263.297 -0.123 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(CN)c1 2235976423 FVEZHGOKJJFLMT-STQMWFEESA-N 280.324 -0.535 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2OCC[C@]2(CO)C1 2296352084 COXAVPPJEULVNB-TVQRCGJNSA-N 280.280 -0.284 10 10 CBCE N[C@H](CC(=O)O)C(=O)NCc1ccc(O)c(O)c1 83397855 SAHXXRVJZWEOKP-SSDOTTSWSA-N 254.242 -0.484 10 10 CBCE O=C(O)C[C@H](O)CNC(=O)c1ccc(O)c(O)c1 398424991 QFHBDDXJSAVMCN-ZETCQYMHSA-N 255.226 -0.337 10 10 CBCE CN(CCS(N)(=O)=O)C(=O)Cc1ccc(O)c(O)c1 1471682794 QPAQPQZPOANCKR-UHFFFAOYSA-N 288.325 -0.613 10 10 CBCE CCO[C@H]1CNCC[C@]1(NCCN=[N+]=[N-])C(N)=O 1912194294 TUZWLCCHIZFHGR-WCBMZHEXSA-N 256.310 -0.491 10 10 CBCE CN(C[C@@H](O)CN)C(=O)Cc1ccc(O)c(O)c1 2027478543 GKBZMQAEIXHVBG-VIFPVBQESA-N 254.286 -0.582 10 10 CBCE O=C(N[C@H]1CCNC[C@H]1CO)c1cc(O)nc(O)c1 2116265073 IXEQAYMTGIPCOJ-IUCAKERBSA-N 267.285 -0.807 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CCC[C@@H]2N 2184687395 RCTCKJRYVABVEY-LBPRGKRZSA-N 276.340 -0.200 10 10 CBCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1NCCNC1=O 2192570187 OHHKZGWSPHWJPI-JOYOIKCWSA-N 277.324 0.000 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](O)CC3)ccc2[C@@H]1O 2284540475 BZJJIIABPJCXGA-AVGNSLFASA-N 278.308 -0.006 10 10 CBCE O=C(NCCS(=O)(=O)CCO)c1ccc(O)c(O)c1 2335753922 CKFGALYHDNXTNN-UHFFFAOYSA-N 289.309 -0.765 10 10 CBCE O=C(Nc1nc(C(=O)O)n[nH]1)c1cc(O)c(O)c(O)c1 38711290 HKWXIMPDJKFYKN-UHFFFAOYSA-N 280.196 -0.128 10 10 CBCE CCNCc1ccc(N(CC(N)=O)CC(N)=O)c(C)c1 61808259 WDFQXHVLJNFHQX-UHFFFAOYSA-N 278.356 -0.118 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NCCCO)cc1 70490559 JOXCGTCWAQLZMV-UHFFFAOYSA-N 274.342 -0.051 10 10 CBCE O=C(O)[C@H](O)C[C@@H]1NCCc2c1cc(O)c(O)c2O 75819360 TVPOZOQTIOSWNO-IONNQARKSA-N 269.253 -0.174 10 10 CBCE N[C@H](c1nnc([C@H](O)CO)o1)c1cc(O)ccc1O 83494130 MQSCHIRTSLBRQX-BDAKNGLRSA-N 267.241 -0.445 10 10 CBCE O=C(NC[C@]1(O)CCOC1)c1cc(O)nc(O)c1 227188204 LWZDHKKLGYHGIA-LLVKDONJSA-N 254.242 -0.626 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@H](O)[C@@H](CO)C2)cc1 396814544 UMCIKSGRZVBLMH-MFKMUULPSA-N 279.340 -0.118 10 10 CBCE CONCCNS(=O)(=O)Cc1ccc(N)cc1 2016978660 JOYRDECEJVHEBM-UHFFFAOYSA-N 259.331 -0.161 10 10 CBCE O=S1(=O)CC[C@@H](CNCc2ccc(O)cc2O)N1 2029512356 WWUKEHUBPOODOF-VIFPVBQESA-N 272.326 -0.121 10 10 CBCE O=C(NCC(CO)CO)c1cc(O)c(O)c(O)c1 2068579321 XCNMISQZVRAMHT-UHFFFAOYSA-N 257.242 -0.866 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@@H]2C[C@@H]21 2068616086 WRTJECMCWCMFHF-SFYZADRCSA-N 250.254 -0.010 10 10 CBCE CCN(C)C[C@@H](O)Cn1ccc2c(c1=O)CNCC2 2094406137 CAPLSBDKCNUZOH-GFCCVEGCSA-N 265.357 -0.193 10 10 CBCE Cc1cccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)c1O 2121473960 KIMJZRNIQLRWFM-MHDGFBEUSA-N 267.325 -0.107 10 10 CBCE N[C@@H]1CCOC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132419867 XHELXPJKMQOWPM-SFYZADRCSA-N 268.269 -0.351 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@](O)(CO)C1 2144018130 GIMCUFWLEWBRKZ-AWEZNQCLSA-N 281.308 -0.014 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](CO)C[C@@H]2CO)cc1 2146076158 HVXYCQHNOFJMKF-CMPLNLGQSA-N 280.324 -0.151 10 10 CBCE NCCN1CCN(C(=O)c2ccc(O)c(O)c2)CC1=O 2171079708 RZOKRJPXZLYIQL-UHFFFAOYSA-N 279.296 -0.659 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1[C@H](O)CO 2179735349 FFLFEOBVZFWHPE-ZWNOBZJWSA-N 281.308 -0.016 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@H]2COC[C@H]21 2189100929 KIAMTUKSOZHCAP-WDEREUQCSA-N 278.308 -0.161 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3[C@@H](N)[C@H]3C2)cc1 2191785164 XBMBDKVZRYMTCG-CLLJXQQHSA-N 297.380 -0.134 10 10 CBCE NCc1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1Cl 693402011 WQIKJBCOFPLKMG-UWVGGRQHSA-N 296.758 -0.178 10 10 CBCE NC[C@@]1(CO)COCCN1Cc1ccc(O)c(O)c1 693935267 WWXRSYROORUIAU-CYBMUJFWSA-N 268.313 -0.380 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)Cn1ccc(O)nc1=O 1912181781 RYCRSQINRJWYLM-UHFFFAOYSA-N 252.234 -0.282 10 10 CBCE N[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2COC[C@H]12 1973673008 OHVLFRNVDJBMLU-GMTAPVOTSA-N 278.308 -0.175 10 10 CBCE Cn1ncc(CN)c1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049787402 XUQWKWLFKAPFQD-XWEPSHTISA-N 250.302 -0.242 10 10 CBCE C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1O)c1ccc(O)cc1O 2121364984 RRUUWJKICJLRIB-VIRWGQHYSA-N 287.337 -0.094 10 10 CBCE CNC(=O)[C@H]1CNCCN1c1ccc2c(c1)OCCO2 2162636669 LWHUTSHOKBPKQW-LLVKDONJSA-N 277.324 -0.018 10 10 CBCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)C1COC1 2176489828 PLYMZNUNEXBAJY-VIFPVBQESA-N 281.264 -0.144 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCN[C@@H]3COC[C@H]32)cc1 2191633637 HLRFMUVYTSZILP-CHWSQXEVSA-N 297.380 -0.229 10 10 CBCE Nc1ccc(OCC(=O)N2CCOCC23CNC3)cc1 2191661194 BWTPLFUGDBLFBV-UHFFFAOYSA-N 277.324 -0.152 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1NC[C@@H](O)[C@@H]1O 2201150001 QPPACLSGPNKXFU-STRQVWJDSA-N 280.324 -0.395 10 10 CBCE OCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(F)c1 2225726475 KSZVDKBODJBLST-OLZOCXBDSA-N 271.288 -0.388 10 10 CBCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@H](O)[C@H]3CO)ccc2O1 2226699557 HIXVBKOQBQJWJO-PKINLEFWSA-N 265.309 -0.087 10 10 CBCE COCCN(C[C@@H](C)O)C(=O)c1cc(O)nc(O)c1 2272442040 PJOURNGMYUUXFP-MRVPVSSYSA-N 270.285 -0.038 10 10 CBCE NC(=O)[C@H](N)CN1CCc2cc(O)c(O)cc2C1 2318664052 TUQVAIRNPAVOHD-SECBINFHSA-N 251.286 -0.732 10 10 CBCE O=C1CC[C@H](NCc2ccc(O)c(O)c2)C(=O)N1 89753105 FZBFISVMUUVYDE-QMMMGPOBSA-N 250.254 -0.007 10 10 CBCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cn(CCO)nn1 90637920 DPTFHEHNBVPELF-QMMMGPOBSA-N 268.281 -0.913 10 10 CBCE NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(N)cc1 158812077 GQQDNRKFVRTQSG-NSHDSACASA-N 278.312 -0.607 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ncon1 231798718 SFHDVCOPDWGFKL-QMMMGPOBSA-N 278.268 -0.333 10 10 CBCE CNC[C@@H](O)CN(C)C(=O)COc1ccc(N)cc1 1876486538 JUSNJKAJBCTIAE-LLVKDONJSA-N 267.329 -0.314 10 10 CBCE [N-]=[N+]=NCCCN1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 1907365481 XJHPYWLUZGUYOG-BDAKNGLRSA-N 259.335 -0.242 10 10 CBCE O=S1(=O)C[C@H](c2ccc(O)c(O)c2)NCCN1 1952452073 FSLHXHQLWGZNIJ-MRVPVSSYSA-N 258.299 -0.339 10 10 CBCE NC[C@@H]1COC[C@@H]1Nc1c(N)cccc1C(N)=O 2071688700 OFAPMAZKWBQVNU-XCBNKYQSSA-N 250.302 -0.247 10 10 CBCE O=c1c2c(ccn1C[C@@H]1C[C@H](CO)CO1)CCNC2 2099393003 UMBULUOILQYYII-PWSUYJOCSA-N 264.325 -0.109 10 10 CBCE C[C@@H](NCC(CO)(CO)CO)c1ccc(O)cc1O 2123210251 MWHUUHGHOHOPNJ-SECBINFHSA-N 271.313 -0.288 10 10 CBCE C[C@@H]1CNC(=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2O 2124757793 AOLFCMQZZXKAIM-JMCQJSRRSA-N 261.281 -0.003 10 10 CBCE C[C@H](O)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2125478274 JWBCEVVKCOHCFJ-POYBYMJQSA-N 269.253 -0.410 10 10 CBCE CNCc1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166790211 DGNZNPYWFDFOFE-VXGBXAGGSA-N 274.324 -0.791 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2332921193 YRGMXTOCOMOFQB-UPJWGTAASA-N 270.304 -0.552 10 10 CBCE O=C(O)[C@H]1CNCCN1Cc1ccc(O)cc1O 88658621 QFEUITXOIQDOPH-SNVBAGLBSA-N 252.270 -0.044 10 10 CBCE CS(=O)(=O)[C@@H]1CCC[C@]1(NCCN=[N+]=[N-])C(N)=O 90258230 ZDSIVZAUALXRBQ-VXNVDRBHSA-N 275.334 -0.293 10 10 CBCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)OC1COC1 98058304 AMXZRECXWWSDPB-SECBINFHSA-N 253.254 -0.090 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](O)C[C@H]2CO)cc1 698140854 UEABJBQQHOFQFY-RYUDHWBXSA-N 280.324 -0.008 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](CO)[C@H](O)C1 1154148333 YVMTXGNKNXRMGC-ZWNOBZJWSA-N 281.308 -0.158 10 10 CBCE NC(=O)N[C@@H](CO)C(=O)NCc1ccccc1O 1465990550 NMPJVVSWPHOGJI-QMMMGPOBSA-N 253.258 -0.962 10 10 CBCE Cc1nn(CC(=O)NCc2ccc(O)cc2O)c(=O)o1 1570463454 QAWXCSITFFLTNG-UHFFFAOYSA-N 279.252 -0.128 10 10 CBCE C[C@H](NC(=O)c1cccc(O)c1O)[C@@H](O)C(=O)O 2056769550 VJZGEXWLMCNHIH-YLWLKBPMSA-N 255.226 -0.338 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCNC[C@@H]1O 2071718024 PPPNJYMSDHJWNI-UWVGGRQHSA-N 250.302 -0.498 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]1[C@H]2CO 2082847765 UZRGNBOEHPHBPE-VGMNWLOBSA-N 250.254 -0.054 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@@H]1COC[C@H]1O 2099402435 IWFCCLOQIMJOHS-VXGBXAGGSA-N 265.313 -0.684 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1COC[C@H]1N 2132419091 PTYGCUVOSYQVJB-HTQZYQBOSA-N 268.269 -0.399 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2136346296 YRGMXTOCOMOFQB-FRRDWIJNSA-N 270.304 -0.552 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@@H]1[C@H](O)CO 2146323177 IWVGQEHREAJYFM-MWLCHTKSSA-N 283.280 -0.708 10 10 CBCE CNS(=O)(=O)C1CN(C(=O)COc2ccc(N)cc2)C1 2187327846 UMADGWQGINRTGT-UHFFFAOYSA-N 299.352 -0.592 10 10 CBCE CN(C[C@@H](O)CN)c1ccc2c(c1)N(C)C(=O)CO2 258793762 BWJYHJDUGSNQIG-JTQLQIEISA-N 265.313 -0.202 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@](O)(CO)C1 313665021 ZJRFZXCDHFJYBU-LBPRGKRZSA-N 253.254 -0.333 10 10 CBCE O=C(NCCCc1nn[nH]n1)c1cc(O)nc(O)c1 708284125 JLAZLFXYQHAPOD-UHFFFAOYSA-N 264.245 -0.632 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)Cn1ccnn1 1637560177 TTYSZQPMGIKUAO-JTQLQIEISA-N 292.295 -0.591 10 10 CBCE C[C@H](O)[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1642587763 GMEODABEYRYNBO-WRWORJQWSA-N 255.270 -0.502 10 10 CBCE C[C@@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 1912174199 WGBVVUUNHHBPBC-APPZFPTMSA-N 275.334 -0.293 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)N[C@]1(C)CCS(=O)(=O)C1 1912198063 BSYVDIVUIOXQNL-SNVBAGLBSA-N 289.361 -0.078 10 10 CBCE CN1C[C@@H](O)[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2029863926 MPWLCPZFLZDKEZ-LDYMZIIASA-N 252.270 -0.498 10 10 CBCE O=S(=O)(CCCO)NCCc1ccc(O)c(O)c1 2040046010 SLNJKCPGZCEZCK-UHFFFAOYSA-N 275.326 -0.058 10 10 CBCE CNC(=O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2068568548 XXRIVJDYRMXEPE-UHFFFAOYSA-N 254.242 -0.379 10 10 CBCE NCC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 2119483848 IBIXFVNFWMZWIP-VIFPVBQESA-N 267.285 -0.317 10 10 CBCE COc1cc(N2CC(NS(C)(=O)=O)C2)ccc1CN 2139686002 SYPDAPKDAPCZAB-UHFFFAOYSA-N 285.369 -0.108 10 10 CBCE NC(=O)[C@@H]1C[C@@H](N)CN(C(=O)c2cccc(O)c2O)C1 2151040512 FKDVYSALDVFDRD-HTQZYQBOSA-N 279.296 -0.628 10 10 CBCE COC1(C(N)=O)CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2161183876 PMFMZGRZGXCILH-UHFFFAOYSA-N 281.268 -0.222 10 10 CBCE O=C(O)[C@@H](F)C1(O)CN(C(=O)c2cc(O)nc(O)c2)C1 2172300019 GLNGOTRLMRLRRG-MRVPVSSYSA-N 286.215 -0.898 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NCc1cc2c(cc1O)OCO2 2174104608 VDXZVQWDABXRKO-QPUJVOFHSA-N 280.280 -0.147 10 10 CBCE O=C1NCC2(CN(C(=O)Cc3ccc(O)c(O)c3)C2)N1 2177687636 NVLBVNAQGIUASF-UHFFFAOYSA-N 277.280 -0.466 10 10 CBCE COC(=O)NS(=O)(=O)Nc1ccc(O)c(N)c1 2214992548 HJKBIRXJWRMZKZ-UHFFFAOYSA-N 261.259 -0.013 10 10 CBCE N=c1nnc(OC[C@H]2CCC3(CCC3)CN2)n[nH]1 2219012880 MCEDKSLXOBHPEB-MRVPVSSYSA-N 250.306 -0.020 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1C 2219693887 FQNGFAWVIACQAT-GMXVVIOVSA-N 253.298 -0.094 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(CO)c1 2227675864 NBTYHUVVAKQUID-AGIUHOORSA-N 269.297 -0.910 10 10 CBCE Cc1nc(Cn2ccc3c(c2=O)CNCC3)nn1C 2228240869 LMHUSKKMZOOQQK-UHFFFAOYSA-N 259.313 -0.021 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@H](C)N)c(O)c1 2234064143 GAUJLUNSPWJWQE-KNEYZDPSSA-N 282.340 -0.031 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CN)c(F)c1F 2234074136 LYJBXESVFKOIED-GIPNMCIBSA-N 288.294 -0.020 10 10 CBCE Nc1ccc(CN2C[C@@H](O)[C@@H](O)[C@H]2C(=O)O)cc1 2311669528 NFMJRIIIMXQCOS-OUAUKWLOSA-N 252.270 -0.741 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1F 2311711729 XUGDBNOXGRJLMJ-TUAOUCFPSA-N 256.277 -0.813 10 10 CBCE CN(C)CCN[C@H](C(N)=O)c1ccc(O)c(O)c1 37945910 AFBLILHEWGMUIF-NSHDSACASA-N 253.302 -0.225 10 10 CBCE CCOC[C@H](O)CNC(=O)c1cc(O)nc(O)c1 311013031 KFIDIKBYNMFXJL-MRVPVSSYSA-N 256.258 -0.380 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC(O)(C(=O)O)CC1 395286050 KMCLGRBDHNCHSD-UHFFFAOYSA-N 282.252 -0.456 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H]3CO)ccc21 698112813 FPUCTZZSEZUHSA-NRUUGDAUSA-N 277.324 -0.169 10 10 CBCE CC(=O)C(=O)COC(=O)[C@H]1CCCCN1S(C)(=O)=O 808505054 RHADUUUENBDHKV-SECBINFHSA-N 291.325 -0.498 10 10 CBCE CCO[C@H]1CNCC[C@@]1(NCCN=[N+]=[N-])C(N)=O 1912194296 TUZWLCCHIZFHGR-WPRPVWTQSA-N 256.310 -0.491 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CC(CO)(CO)C2)cc1 1914991905 UTUNDHODAXFHRL-LBPRGKRZSA-N 282.340 -0.705 10 10 CBCE NC[C@H]1COC[C@H]1NC(=O)c1ccc(O)c(O)c1 2029839878 CMNZIGWREUCCCL-DTWKUNHWSA-N 252.270 -0.199 10 10 CBCE C[P@]1(=O)C[C@@H](O)[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2121333209 KHZHPLGSGXCUNB-DRJZATNFSA-N 286.224 -0.041 10 10 CBCE O=C1Nc2cc(N3CCCC3(CO)CO)ccc2[C@@H]1O 2146075972 GXRZFEYXMMIYKO-LBPRGKRZSA-N 278.308 -0.004 10 10 CBCE CS(=O)(=O)C1CN(c2cc3c(cc2N)OCC(=O)N3)C1 2152286312 LRCSNWNOYDMMGH-UHFFFAOYSA-N 297.336 -0.167 10 10 CBCE O=C(O)[C@@H]1C[C@@H](O)CCN1C(=O)c1cc(O)nc(O)c1 2177448186 RLHWQQNVNWTXHH-YUMQZZPRSA-N 282.252 -0.457 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@H]2O 2182538719 OSAQWUCASXZTHA-VVJJBPBLSA-N 280.280 -0.694 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)C[C@H]3CO)ccc2[C@H]1O 2200831670 AVALAIRBWSWEPE-OUJBWJOFSA-N 278.308 -0.006 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2329332224 JPEUEGCYIHEGCP-RJVLYZLMSA-N 265.265 -0.336 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2CS(=O)(=O)[C@H]2C1 2336461232 QKIYQFZFBYJPGP-XCBNKYQSSA-N 283.305 -0.033 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CC[C@@H](O)[C@@H](O)C2)cc1 2356889997 BPGTYCLTBPOMJN-YUTCNCBUSA-N 282.340 -0.564 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2356974890 GBHBDVKXJINBII-NIUASQORSA-N 281.264 -0.631 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC(O)(CO)CC1 313625647 IMTMNLYFCCUBIC-UHFFFAOYSA-N 268.269 -0.548 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](CO)C3)ccc21 316881874 BSMSQTBOMXWRBG-CKLFPEKLSA-N 277.324 -0.311 10 10 CBCE COc1cccc(O)c1CN1C[C@H](O)C[C@H]1C(N)=O 895944706 GXXOENZHPJAUAX-SCZZXKLOSA-N 266.297 -0.179 10 10 CBCE C[C@H](Oc1ccc(N)cc1)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 1860082827 UZSOHDOPSGQPER-VHSKPIJISA-N 282.296 -0.014 10 10 CBCE COC[C@](O)(CO)CNC(=O)Nc1ccc(N)cc1 1876152355 DWHCWTORHSRNPK-GFCCVEGCSA-N 269.301 -0.240 10 10 CBCE Nc1ccc(NC(=O)NCC(CO)(CO)CO)cc1 1876152832 LLYPNAYFIZPIKO-UHFFFAOYSA-N 269.301 -0.646 10 10 CBCE CNCCOCCNS(=O)(=O)Cc1ccc(N)cc1 1876462145 QHLHIDRLHZNMMU-UHFFFAOYSA-N 287.385 -0.076 10 10 CBCE NS(=O)(=O)NCCCNCc1ccc(F)c(F)c1O 2101316533 HEDVVAXLCHUIDP-UHFFFAOYSA-N 295.311 -0.057 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1NC[C@@H](O)[C@H]1O 2136448556 YJMCLVHCBLQGCD-IJLUTSLNSA-N 266.297 -0.956 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCNC[C@@H]1CO 2172905718 VRXYEDURWGSHTD-GHMZBOCLSA-N 280.324 -0.273 10 10 CBCE NC[C@@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]1CCO2 2175177193 RMJQMBNHRLBCOC-TVQRCGJNSA-N 279.296 -0.317 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@@H](O)C1 2177948146 KBMKHYCWNVBBSU-AXFHLTTASA-N 280.324 -0.003 10 10 CBCE C[C@H](C(=O)O)N1CC(NC(=O)c2cc(O)nc(O)c2)C1 2188308540 QGNNIUDSDLTXHE-ZCFIWIBFSA-N 281.268 -0.620 10 10 CBCE O=S(=O)(CCO)CCNCc1ccccc1O 2299303313 RKAFCZOUNMMSHU-UHFFFAOYSA-N 259.327 -0.111 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H]4COC[C@@H]43)ccc21 2354369383 ONPWKJKXOGRBAE-LPTSXCQYSA-N 275.308 -0.166 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)[C@H](CO)C1 699485884 HGQIFUWMIPDAAU-GWCFXTLKSA-N 276.340 -0.249 10 10 CBCE CO[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1N 1876416286 UUSRJBOORKIMKF-NEPJUHHUSA-N 285.369 -0.244 10 10 CBCE C[C@H](NC(=O)[C@H]1CNC(=O)CN1)c1ccccc1O 1877577655 DGWMRCMGPOIYDX-WCBMZHEXSA-N 263.297 -0.343 10 10 CBCE O=C(NC[C@@]1(CO)CCCO1)c1cc(O)nc(O)c1 1879594605 DARZNLHQZSJMGA-GFCCVEGCSA-N 268.269 -0.236 10 10 CBCE COCCNC(=O)NC(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912161676 MEYWDRVCPGCMRE-MRVPVSSYSA-N 270.293 -0.157 10 10 CBCE C[C@H](ONC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2068579516 XXAAJUDFZVYZNJ-BYPYZUCNSA-N 257.198 -0.062 10 10 CBCE CN(Cc1ccccc1O)S(=O)(=O)N1CC(CN)C1 2104907949 AVYDFIQQHJJXOR-UHFFFAOYSA-N 285.369 -0.041 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC([C@@H](O)CO)CC1 2152471080 XMEKCTZNOMJSLD-JTQLQIEISA-N 282.296 -0.302 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)C[C@H]1CO 2200827866 BIFCECHQMOQPIS-QWRGUYRKSA-N 281.308 -0.016 10 10 CBCE N[C@@H](C(=O)NC[C@@H](O)CO)c1cc(F)ccc1O 83429639 IEBCVODGTGITQF-GMSGAONNSA-N 258.249 -1.000 10 10 CBCE NC(=O)[C@@H]1CNCCN1Cc1ccc(O)cc1O 88659298 FOTDZMQMLOXBAV-JTQLQIEISA-N 251.286 -0.643 10 10 CBCE NC(=O)[C@H](c1cc(F)ccc1O)N1CCNCC1 236242142 WCNULUAOGFRUGI-NSHDSACASA-N 253.277 -0.037 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1cc(C)ccc1O 720536069 PZZDIBASYFFFMU-UHFFFAOYSA-N 279.340 -0.005 10 10 CBCE CC(CO)(CO)NC(=O)Cc1ccc(O)c(O)c1 1138169919 ANBKHOBQRUNVAW-UHFFFAOYSA-N 255.270 -0.500 10 10 CBCE O=C(NC1CN(C2COC2)C1)c1cccc(O)c1O 1148224872 YFXDWMCQZRGSPY-UHFFFAOYSA-N 264.281 -0.089 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@H](F)[C@H]1O 1614606304 KTOLOIKYVCHRJW-JAGXHNFQSA-N 286.223 -0.705 10 10 CBCE C[C@@H](O)[C@@H](NC(=O)COc1ccc(N)cc1)C(=O)O 1860080299 BROBURREUBNXAE-RDDDGLTNSA-N 268.269 -0.402 10 10 CBCE N[C@@H](c1ccc(N2CCOCC2)cc1)[C@@H](O)C(=O)O 1952101541 ACVZBSIUFRHXEV-NWDGAFQWSA-N 266.297 -0.032 10 10 CBCE CCN(CC(CO)(CO)CO)c1ccc(CN)cc1 2123166364 AMZXYCDQRWBXMW-UHFFFAOYSA-N 268.357 -0.065 10 10 CBCE Cc1ccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(O)c1 2139756195 PXWMSRCOSJWSSK-OXHZDVMGSA-N 267.325 -0.107 10 10 CBCE CCOC[C@@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 2155589990 CVWDTFRUXUBOPO-ZDUSSCGKSA-N 281.356 -0.047 10 10 CBCE Nc1ccc(CCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 2177852444 XFDIWJSWQHLKKG-NEPJUHHUSA-N 298.364 -0.525 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@H](CO)[C@H](N)C2)cc1 2191630741 DVRCPGKHKGDYBZ-DGCLKSJQSA-N 299.396 -0.260 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(CN)c1 2235964326 SEDSHKXPBUSWOQ-UONOGXRCSA-N 282.340 -0.552 10 10 CBCE C[C@@H](CNC(=O)c1cc(O)nc(O)c1)[C@]1(O)CCNC1 2238427618 XQBGFIYUETYMND-SDBXPKJASA-N 281.312 -0.417 10 10 CBCE NS(=O)(=O)CCCNC(=O)[C@H]1CNc2ccccc2N1 229880042 STIYJNXDEUXOBT-LLVKDONJSA-N 298.368 -0.313 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1O)[C@@H]1CNc2ccccc2N1 323362886 BTHUMIISCSXHBR-TUAOUCFPSA-N 263.297 -0.232 10 10 CBCE Cn1nnnc1CCNCc1cc2c(cc1O)OCO2 771872662 HWZZCWLLQZNXKU-UHFFFAOYSA-N 277.284 -0.023 10 10 CBCE Cc1cccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)c1O 895684648 DNKNNPULQLUQFQ-GHMZBOCLSA-N 271.338 -0.052 10 10 CBCE CC(=O)[C-]1C(=O)C(=O)[C@H](S(=O)(=O)c2ccccc2)C1=O 1615951347 MJVBVEHLOUXYLZ-CYBMUJFWSA-N 293.276 -0.287 10 10 CBCE CON(CCN)S(=O)(=O)CCOc1ccc(N)cc1 1876538592 OFIGNZRQNLMFIZ-UHFFFAOYSA-N 289.357 -0.201 10 10 CBCE CO[C@@H](CCO)CNC(=O)c1cc(O)nc(O)c1 2049498322 KJJTUYXEDOPDFP-QMMMGPOBSA-N 256.258 -0.380 10 10 CBCE Nc1ccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)cc1 2057792055 MLRGETSUHKPHKO-OJAKKHQRSA-N 252.314 -0.539 10 10 CBCE O=C(CO)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2061442758 JLXDXLCBWFZAGS-SSDOTTSWSA-N 255.226 -0.798 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)Nc1ccc(N)cc1 2071567892 DFXRXEQNRSFYNJ-VIFPVBQESA-N 253.258 -0.076 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cccc1O 2108833795 ZKCFLIMAFMQIHQ-COVLFPSOSA-N 269.297 -0.397 10 10 CBCE O=C(C[C@H]1CNC[C@@H]1O)NCCc1ccc(O)c(O)c1 2174342148 UFSZWMIUURIJSV-GWCFXTLKSA-N 280.324 -0.273 10 10 CBCE OC[C@@H]1C[C@H](NCc2cc(F)cc(F)c2O)[C@@H](O)[C@@H]1O 2177949521 SANKKJBXINLKEE-AXVUBJCFSA-N 289.278 -0.137 10 10 CBCE C[C@H](O)[C@H]1C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2182274830 IOGXKZWIZSWOGC-VFRUTBLMSA-N 280.324 -0.147 10 10 CBCE [N-]=[N+]=NCCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(=O)O 2218735705 QUFBCOQMWQWTNO-PHDIDXHHSA-N 276.274 -0.842 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@@]2(O)CCNC2)cc1 2238462976 KCRXOVPMGGBMCT-AWEZNQCLSA-N 279.340 -0.122 10 10 CBCE NC[C@@H](C(=O)O)N1CCc2cc(O)c(O)cc2C1 2318663078 FSIRXYKYPVPHMJ-VIFPVBQESA-N 252.270 -0.132 10 10 CBCE CO[C@H]1C[C@@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 19477565 AIYNLASENYDCBO-YUMQZZPRSA-N 282.252 -0.193 10 10 CBCE N[C@@H](CCC(=O)O)C(=O)NCc1ccc(O)c(O)c1 83496861 VPJVWPLHOKVJNY-QMMMGPOBSA-N 268.269 -0.094 10 10 CBCE CN1C(=O)C[C@H](NCc2ccc(O)c(O)c2O)C1=O 234326758 FIBRSVXQOPNICT-ZETCQYMHSA-N 266.253 -0.350 10 10 CBCE Cn1cnn(CC(=O)NCc2c(O)cccc2F)c1=O 928705339 JTARNIHYSRVZFU-UHFFFAOYSA-N 280.259 -0.257 10 10 CBCE O=C(CCN1C(=O)CSC1=S)NCCCO 1865764796 BICPYCYWAAXRHT-UHFFFAOYSA-N 262.356 -0.265 10 10 CBCE COCC(COC)S(=O)(=O)N1CC(N=[N+]=[N-])C1 1912150357 RXDKTDVDNSUONB-UHFFFAOYSA-N 264.307 -0.028 10 10 CBCE CC(=O)C(=O)[C@@H](O)c1c(Br)nnn1C 1929239813 FYDXQHGFMOMQQU-LURJTMIESA-N 262.063 -0.231 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CNCC[C@H]1O 2071717925 OMUZSWBSHNJUCO-NXEZZACHSA-N 250.302 -0.498 10 10 CBCE C[C@H](COCC(=O)O)NC(=O)c1cc(O)nc(O)c1 2117493134 WZBCLYGOJBAGIL-ZCFIWIBFSA-N 270.241 -0.288 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2136297093 WJPRJFRZJAYSAT-SYQHCUMBSA-N 265.309 -0.431 10 10 CBCE C[C@@H]1CNC[C@H](CCNC(=O)c2cc(O)nc(O)c2)O1 2181157924 GMUZUPDJRDUZLA-SCZZXKLOSA-N 281.312 -0.010 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2CC(N)(C(=O)O)C2)cc1 2191701518 XNCHGNVRMCXGPH-UHFFFAOYSA-N 299.352 -0.367 10 10 CBCE NC[C@@H]1COCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2193252631 IQKRIOIEHSKVSM-BDAKNGLRSA-N 282.296 -0.103 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2c(O)cccc2F)C[C@H]1O 2197468007 ZHNHPYFRZNBGRH-DGCLKSJQSA-N 285.271 -0.086 10 10 CBCE O=C(NC1CNCCNC1)c1ccc(O)c(O)c1 2259377624 ZNMVSGPRVILEAB-UHFFFAOYSA-N 251.286 -0.611 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]2[C@H]1CO 2311375599 USTCEAJVASHEKD-IWSPIJDZSA-N 250.254 -0.054 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1[C@@H](C)N 2334467852 DSYTVCNMNLXCNF-JXJLXUTGSA-N 266.341 -0.083 10 10 CBCE N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)c1cc(O)nc(O)c1 250753031 DTSHGCQZFATRFA-VJRRCQHZSA-N 279.296 -0.273 10 10 CBCE CCOC(=O)CN(N=Nc1nonc1N)c1nonc1N 254394553 BKBIXWQKSCIEIJ-UHFFFAOYSA-N 297.235 -0.315 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 316614651 ZYFFIUQYFVPIGW-ZWNOBZJWSA-N 280.324 -0.151 10 10 CBCE NC(=O)CN1CCN(C(=O)c2ccc(O)c(O)c2)CC1 700781466 OSRPYWJIDTWKHH-UHFFFAOYSA-N 279.296 -0.659 10 10 CBCE C[C@@H](C(N)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 723179812 SLEIURPBAPVRHW-CPCISQLKSA-N 262.313 -0.027 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2CCN2)cc1 1876415971 PQIDMRDEIAEITI-NSHDSACASA-N 285.369 -0.071 10 10 CBCE N[C@]1(C(=O)NCCc2ccc(O)c(O)c2)C[C@H](O)C1 1879087031 NPUNHLGLUAJTGX-SWZMTVOYSA-N 266.297 -0.391 10 10 CBCE O=S1(=O)C[C@H](c2cccc(O)c2O)NCCN1 1952446312 AYSICJZCCATPOU-MRVPVSSYSA-N 258.299 -0.339 10 10 CBCE CC(=O)NCCNC(=O)CN(C)c1ccc(CN)cc1 1972629190 RRNRHFDZFFICID-UHFFFAOYSA-N 278.356 -0.166 10 10 CBCE NC(=O)NC1CN(CC(=O)c2ccc(O)c(O)c2)C1 2106922073 TWYGUCKLWDZFGN-UHFFFAOYSA-N 265.269 -0.367 10 10 CBCE C[C@@](O)(CO)CN(CC(N)=O)Cc1ccc(N)cc1 2111790050 PCSGDAYDLXUETH-ZDUSSCGKSA-N 267.329 -0.701 10 10 CBCE CN1C[C@@H](N)[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132419809 WQSRFKNTGDABJA-HTQZYQBOSA-N 267.285 -0.826 10 10 CBCE COC1(CO)CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 2157304759 ULMMUGALUJITFX-LBPRGKRZSA-N 277.324 -0.140 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)cc1 2218664309 QDPQUCFLELCNTD-UPJWGTAASA-N 252.314 -0.298 10 10 CBCE O=S(=O)(CCO)CCNCc1cccc(O)c1O 2314180645 JLGASKURXRSVIU-UHFFFAOYSA-N 275.326 -0.406 10 10 CBCE COc1ccc(N2CC([C@H](O)CO)C2)c(CO)c1 2315267600 AZCBNCYHSDMAHE-CYBMUJFWSA-N 253.298 -0.023 10 10 CBCE NC(=O)[C@H]1COCCN1C(=O)Nc1ccc(N)cc1 129777582 BFVBYFHEARZKEQ-SNVBAGLBSA-N 264.285 -0.013 10 10 CBCE CN(C)c1ccc(/C=C/C(=O)NC[C@H](O)C(N)=O)cc1 228489089 CKUXEOVXRUXJKN-ZCRIDZFUSA-N 277.324 -0.272 10 10 CBCE CN(C(CO)CO)S(=O)(=O)Cc1ccc(N)cc1 386291433 GXKLXZQANKXRFV-UHFFFAOYSA-N 274.342 -0.616 10 10 CBCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC(=O)N1 387354141 VQTXMJGDFWVSRA-SECBINFHSA-N 283.353 -0.081 10 10 CBCE O=C1NC(=O)[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]12 388149142 KHIMJIIOAKHLDV-YUMQZZPRSA-N 276.248 -0.558 10 10 CBCE NC(=O)[C@@H]1CN(Cc2cccc(F)c2O)C[C@@H]1C(N)=O 693451671 AIMIGJJGWZDIRU-DTORHVGOSA-N 281.287 -0.450 10 10 CBCE CN1CC[C@](O)(CNS(=O)(=O)Cc2ccc(N)cc2)C1 702621115 BYBKGAFADLPALV-ZDUSSCGKSA-N 299.396 -0.245 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)CC1CS(=O)(=O)C1 722793138 YWSGVBCHFCDHRT-UHFFFAOYSA-N 297.380 -0.399 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@]1(O)CCOC1 1566369669 PUFXPLZPJMEKBA-CYBMUJFWSA-N 267.281 -0.092 10 10 CBCE C[C@@H](c1ccccc1O)N(C)C(=O)C(=O)NCCN 1877545063 LCAYELUGPCIJJN-VIFPVBQESA-N 265.313 -0.014 10 10 CBCE O=C(N[C@H]1CNCCOC1)c1ccc(O)c(O)c1 2034727264 YRBXRQHZVSCGMV-VIFPVBQESA-N 252.270 -0.184 10 10 CBCE OCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(F)c1 2090129371 SEOQIBRWBMMWGF-STQMWFEESA-N 271.288 -0.124 10 10 CBCE NC[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 2096839791 JCAOWCKNYOUCAC-SNVBAGLBSA-N 266.297 -0.174 10 10 CBCE O=C(N[C@@H]1CCNC[C@@H]1CO)c1cccc(O)c1O 2116265648 MOIFFAAQMZXYOA-PSASIEDQSA-N 266.297 -0.202 10 10 CBCE O=C(CN1CC[C@@H](O)[C@H](O)C1)c1ccc(O)c(O)c1 2132117716 YGBHXPBPBRHGKI-ZWNOBZJWSA-N 267.281 -0.292 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@@]2(CO)CO3)cc1 2151010177 PSISBBJXYQJWJN-CHWSQXEVSA-N 298.364 -0.066 10 10 CBCE O=C(c1cccc(O)c1O)N1CC2(C1)OC[C@H](O)[C@H]2O 2183721003 DXRXUCGLYKQBQN-GXSJLCMTSA-N 281.264 -0.956 10 10 CBCE CN1CCN(C(=O)C2=C[C@H](O)[C@@H](N)C2)c2cccnc21 2188029568 GMFYAJHNZOKYAG-JQWIXIFHSA-N 274.324 -0.117 10 10 CBCE Nc1ccc(OCC(=O)N2CCN[C@H](CCO)C2)cc1 2191731140 PRKWJLJXLLSIPL-GFCCVEGCSA-N 279.340 -0.170 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@@H]1CO 2233747084 QVVUZOPDYMMDPA-VWYCJHECSA-N 280.324 -0.145 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1CCOc1ccc(N)cc1 97290152 GGZUFPTUGAWTNB-SECBINFHSA-N 263.297 -0.006 10 10 CBCE CNC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)O 108262677 BUWWLKJVNPWPGG-UFBFGSQYSA-N 265.313 -0.577 10 10 CBCE COC(=O)[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 227226455 WZNZQBIDEAGRGF-SNVBAGLBSA-N 288.325 -0.778 10 10 CBCE COC1CN(C2CN(C(=O)c3cc(O)nc(O)c3)C2)C1 585571911 KKXWRXVNAMUNKX-UHFFFAOYSA-N 279.296 -0.352 10 10 CBCE NS(=O)(=O)C1(C(=O)NCc2c(O)cccc2F)CC1 1178413721 XVGLJEUNBYUCDN-UHFFFAOYSA-N 288.300 -0.031 10 10 CBCE COc1c([C@@H](NCCN=[N+]=[N-])C(N)=O)cnn1C 1912194365 UFVYEMDHOHLXED-SSDOTTSWSA-N 253.266 -0.145 10 10 CBCE NC[C@H]1COC[C@H]1NC(=O)c1cc(O)nc(O)c1 2036604010 YDQHZHNJLDMJHP-JGVFFNPUSA-N 253.258 -0.804 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOCC12CNC2 2111332603 ALMLDKQPKAWXDD-UHFFFAOYSA-N 264.281 -0.088 10 10 CBCE N[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CO 2122381564 NRMRKDVPADTHGQ-RKDXNWHRSA-N 267.285 -0.726 10 10 CBCE O=C(NC[C@]1(O)CCOC1)c1cc(O)c(O)c(O)c1 2132348697 QVADVMBXQFQZON-GFCCVEGCSA-N 269.253 -0.315 10 10 CBCE NCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(F)c1 2225730019 RVRGDVIPJCFTRL-QWHCGFSZSA-N 270.304 -0.421 10 10 CBCE NC(=O)c1nc(CNCc2ccc(O)c(O)c2O)no1 2285846693 RATGLQKUUHADQK-UHFFFAOYSA-N 280.240 -0.425 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1cccc(O)c1O 83397874 TYGVBGWCCZAQRY-SECBINFHSA-N 254.242 -0.613 10 10 CBCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CC(=O)N2CCC[C@H]21 302341651 OKRUBFKKDLYGAF-GZMMTYOYSA-N 266.305 -0.105 10 10 CBCE COc1ccc(CNC(=O)CNC(N)=O)c(O)c1 796351130 CSXXLLMTKICGSC-UHFFFAOYSA-N 253.258 -0.315 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@H](O)C[C@H]1O 2046527902 WWQOUXYRGXWFJE-WQGWLQIFSA-N 251.286 -0.336 10 10 CBCE O=C(N[C@@H]1CNCC[C@@H]1O)c1cccc(O)c1O 2063330286 YQLOVNXTKPTJRB-BDAKNGLRSA-N 252.270 -0.450 10 10 CBCE O[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@@H](O)[C@@H]1O 2108830042 HFZIXIMPTYKQLI-OIMNJJJWSA-N 265.309 -0.434 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](OCCO)C1 2109042765 KMQSXGVQCPFEJZ-VIFPVBQESA-N 268.269 -0.284 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC(OCCO)C2)cc1 2152288752 KYQKARKGQXCYGI-GFCCVEGCSA-N 282.340 -0.298 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CNC[C@H](O)C1 2155380652 VMCVMVDTNUGBRS-GHMZBOCLSA-N 280.324 -0.273 10 10 CBCE COC1(C(N)=O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2161184476 ZJZFSLDBTRBRKT-UHFFFAOYSA-N 299.352 -0.715 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)[C@H]1CC(=O)NC1=O 2171198768 CFZKYICQRYONOV-JTQLQIEISA-N 277.280 -0.479 10 10 CBCE CC1(C)[C@H](O)[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2181217525 XTIKWNBTIYFOAC-WCQYABFASA-N 281.308 -0.017 10 10 CBCE NC[C@]1(O)CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2191540327 JKAFGQVTSIUOOB-CYBMUJFWSA-N 299.396 -0.116 10 10 CBCE CO[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1N 2191787696 IXWNLZWVNIJUTF-UFBFGSQYSA-N 278.312 -0.238 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2219611363 ALENDPUIZPAFNA-SRVKXCTJSA-N 257.261 -0.263 10 10 CBCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1[C@@H](C)N 2269657484 NSQCONFINQQYJZ-SECBINFHSA-N 264.329 -0.208 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1[C@@H](C)N 2269661271 DSYTVCNMNLXCNF-WBMYTEFPSA-N 266.341 -0.083 10 10 CBCE CCCCN1C(=O)NC(=O)C(=CNN2CCOCC2)C1=O 2296132790 KATTUFZZMIKXOE-UHFFFAOYSA-N 296.327 -0.414 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H](O)[C@H](O)C3)cc21 2328969602 XYBQCGYFWKILBM-UTUOFQBUSA-N 263.297 -0.795 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1[C@H](C)N 2334467855 DSYTVCNMNLXCNF-WTDIUWLJSA-N 266.341 -0.083 10 10 CBCE CN(C[C@H](O)CO)c1ccc2c(c1)N(C)C(=O)CO2 258968733 LHAGWVWNHQXBGB-JTQLQIEISA-N 266.297 -0.169 10 10 CBCE CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)c1ccc(N)cc1 702124204 IKZBHNZAZUVSKE-VIFPVBQESA-N 262.269 -0.170 10 10 CBCE NC(=O)C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 863484615 HNZJLNWYBGMBFW-MRVPVSSYSA-N 280.280 -0.186 10 10 CBCE COc1ccc(O)c(CN2CC(=O)NC[C@H]2C(=O)O)c1 1963437532 MBOCHSWBLVIWOW-JTQLQIEISA-N 280.280 -0.214 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CNC[C@H]2COC3)C1 2049781671 XPFYJDCEGHOHIH-AVWBDOJWSA-N 252.314 -0.512 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CC(=O)N(C)C3)c2n1 2062701873 HKINWHQPDSKWIY-QMMMGPOBSA-N 289.295 -0.296 10 10 CBCE OCC(CO)(CO)CNCc1ccc(F)c(F)c1O 2123223387 QBVBVEUJWQCRLR-UHFFFAOYSA-N 277.267 -0.277 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)[C@H](CO)C1 2132348410 LBVNOSCCPOWQLL-OIBJUYFYSA-N 269.253 -0.771 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H](CO)C[C@@H]2OCC[C@@H]21 2146631194 DCCOUOLOKNFYRS-GUBZILKMSA-N 280.280 -0.143 10 10 CBCE CN(CC(CO)CO)C(=O)[C@H]1CNc2ccccc2N1 2150416836 XCPSVRUZHFAHSJ-CYBMUJFWSA-N 279.340 -0.048 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O)c1cccc(O)c1O 2166416107 MEAHLTUNPJZFSW-IGAZYLGGSA-N 279.292 -0.042 10 10 CBCE O=C1N[C@H]2CN(c3ccc(CO)c(Cl)c3)C[C@H]2NC1=O 2166791650 VGBBCYFBIJXURQ-PHIMTYICSA-N 295.726 -0.365 10 10 CBCE Nc1ccc(CCN2CC[C@@](O)(CO)[C@H](O)C2)cc1 2225730936 BCPAAPVSUWNZAK-ZIAGYGMSSA-N 266.341 -0.399 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(=O)O)C1 2225792088 JYCKIDDXMLCACY-NKWVEPMBSA-N 288.285 -0.747 10 10 CBCE C[C@H](N)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1O 2234099518 DSWOBARASCTWID-CUOATXAZSA-N 282.340 -0.294 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC(O)(C(F)(F)CO)C1 2288557688 JLFYEVOCQXRZCN-UHFFFAOYSA-N 289.234 -0.088 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(OC)c1C 2295378972 VJPPYBAAYBFUHB-MDZLAQPJSA-N 283.324 -0.085 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311701450 BNCMSSBVQCCQQL-KNDHEWATSA-N 253.298 -0.357 10 10 CBCE N=c1nnc(OCCCNC2CCOCC2)n[nH]1 2327745856 PQPVHQNCRDFMPR-UHFFFAOYSA-N 254.294 -0.783 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCOC1 131395645 YPORDZDGDUBWKB-UWVGGRQHSA-N 266.297 -0.127 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1cc(O)nc(O)c1 227438239 GLKWPUKTPWDBFG-HCPDIIQCSA-N 265.269 -0.663 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(=O)[nH]n1 227885952 YGLMDQALBCWLHE-QMMMGPOBSA-N 290.279 -0.310 10 10 CBCE C[C@@H]1O[C@@H](Oc2ccc(N)cc2)[C@H](O)[C@H](O)[C@@H]1O 247994527 CITVZWPAGDTXQI-XQFKGYICSA-N 255.270 -0.525 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(O)nc2=O)[C@@H](F)[C@@H]1O 256829681 SNWCOSVWPQSOEU-BMLSCUAFSA-N 287.207 -0.824 10 10 CBCE Cn1cc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)nn1 701850634 FMMGTDHITGDQHM-QMMMGPOBSA-N 277.284 -0.265 10 10 CBCE O=C(N[C@H]1CCOC[C@H]1O)c1ccc(O)c(O)c1 706743609 LGERCFXDBDZCIU-GZMMTYOYSA-N 253.254 -0.023 10 10 CBCE O=C1NC[C@@H](CNC(=O)c2cccc(O)c2O)O1 1148225277 JKYDSLAFCXLUHK-ZCFIWIBFSA-N 252.226 -0.064 10 10 CBCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC(CO)(CO)C1 1645107186 CMIVTKIDOFTASU-RQOWECAXSA-N 279.292 -0.076 10 10 CBCE CN(CCCN=[N+]=[N-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 1912181464 OFQKINCCODYEQR-SECBINFHSA-N 289.361 -0.078 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@]2(CO)C[C@]2(CO)C1 1965352359 QLIHLKJJMMRGQP-OKILXGFUSA-N 279.292 -0.085 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1 2046514322 MLCCTTUYGVNDKN-GWNIPJSYSA-N 253.298 -0.355 10 10 CBCE Cn1nnc(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2132350201 LOCQSDCWZWEFOO-UHFFFAOYSA-N 265.229 -0.743 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2CN(C3COC3)C2)cc1 2171180292 PSLHUZUEUJYTQC-UHFFFAOYSA-N 297.380 -0.229 10 10 CBCE O=C(O)C[C@@H]1COC[C@H]1NC(=O)c1cc(O)nc(O)c1 2187923463 CXDGHKYJRZFIBI-HTQZYQBOSA-N 282.252 -0.288 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2188874316 GBHBDVKXJINBII-KYAGDKKUSA-N 281.264 -0.631 10 10 CBCE Nc1ccc(OCC(=O)N2CCC(N)(CO)CC2)cc1 2191708510 XJXFARXYYZQSHJ-UHFFFAOYSA-N 279.340 -0.040 10 10 CBCE CC[C@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1=O 2273260177 GGTOZRIOTONDBQ-LBPRGKRZSA-N 265.269 -0.109 10 10 CBCE COc1cc(OC)c(N2CC(N)(C(N)=O)C2)c(OC)c1 2287143360 GQZDYHZTOKTCDC-UHFFFAOYSA-N 281.312 -0.285 10 10 CBCE Nc1ccc(OCC(=O)N2CC([C@H](O)CO)C2)cc1 2336873944 KDNIJVDLHJGCEW-GFCCVEGCSA-N 266.297 -0.541 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCC(=O)NC1=O 130453821 ICDKCNHOMJBVPH-MRVPVSSYSA-N 262.269 -0.415 10 10 CBCE CN(CCC(N)=O)C[C@@H](O)COc1ccc(N)cc1 381878440 DGAXIJMKHMBDIH-LLVKDONJSA-N 267.329 -0.184 10 10 CBCE CNC(=O)CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 394242095 SLTPTFWELOWDMC-QMMMGPOBSA-N 299.352 -0.243 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1COC[C@H]1O 709155687 FCYFKHDSCMVAQG-VXGBXAGGSA-N 266.297 -0.134 10 10 CBCE O=C(CN1C(=O)CCC1=O)NCc1ccc(O)c(O)c1 1294871984 RWCHHONNVOTIFB-UHFFFAOYSA-N 278.264 -0.137 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)c2cc(O)cs2)C1 1328311200 MBBOACSFFCHDTA-SNVBAGLBSA-N 256.283 -0.484 10 10 CBCE O=C(CN1C(=O)CNC1=O)N1Cc2cccc(O)c2C1 1335796442 LIYAMNOETDKZMQ-UHFFFAOYSA-N 275.264 -0.214 10 10 CBCE NS(=O)(=O)C1(C(=O)NCc2cccc(O)c2O)CC1 1471642000 FKCTUYHLNQZNQE-UHFFFAOYSA-N 286.309 -0.465 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN(CCO)CC1 1593771186 WGFVEFGXUIUSSG-UHFFFAOYSA-N 280.324 -0.223 10 10 CBCE CN(CCO)C(=O)c1nnn(-c2ccc(N)cc2)n1 1857879217 ZDSUGUMNLGZKQK-UHFFFAOYSA-N 262.273 -0.691 10 10 CBCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)C1(O)CCNCC1 1918776432 CSIJMIHLUJLPIW-MRVPVSSYSA-N 281.312 -0.274 10 10 CBCE N[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1CO 2122380021 YPKQAHFBEGLTPN-UWVGGRQHSA-N 266.297 -0.121 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(Cl)c1 2127701388 NWWZJMGQGXQBMA-SNVBAGLBSA-N 282.731 -0.411 10 10 CBCE CO[C@H]1C[C@](NC(=O)c2cc(O)nc(O)c2)(C(=O)O)C1 2152539928 IRXGTUNKKMEYBG-OGXFKERWSA-N 282.252 -0.145 10 10 CBCE C[C@](O)(CO)[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2202854952 XPIVWFAZMDKOON-RNCFNFMXSA-N 282.296 -0.302 10 10 CBCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)c(F)c1 2333608912 OKQOTHSLFKPTPL-RWMBFGLXSA-N 270.304 -0.159 10 10 CBCE Oc1cc2c(c(O)c1O)CCN[C@H]2[C@@H]1C[C@@H](O)CN1 75818958 PCXGUUOUTBBBBK-OUAIYISWSA-N 266.297 -0.287 10 10 CBCE O=C(NC[C@]1(O)CCNC1)c1cccc(O)c1O 97910078 IYHDYZYWMOQFJX-LBPRGKRZSA-N 252.270 -0.448 10 10 CBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCNCC2)c1 262331786 VUELQNAFEDTWSE-UHFFFAOYSA-N 299.352 -0.191 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCC[C@](O)(CO)C3)ccc21 314061374 XDWWWPVGZRXIBH-TZMCWYRMSA-N 277.324 -0.038 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@@H](CO)C3)ccc21 316881877 BSMSQTBOMXWRBG-WQHBLYJGSA-N 277.324 -0.311 10 10 CBCE NCc1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1F 693397108 DQFBNIANESMSJX-UWVGGRQHSA-N 280.303 -0.693 10 10 CBCE NC(=O)[C@@H]1CN(c2ccc(CO)cc2)C[C@@H]1C(N)=O 693460042 DPSCZEPNNCHMNU-PHIMTYICSA-N 263.297 -0.798 10 10 CBCE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c(N)cccc1C(N)=O 697001008 LREMCKSCINXBFN-VHSXEESVSA-N 299.352 -0.408 10 10 CBCE C[C@@H](NC(=O)CCOc1ccc(N)cc1)[C@@H](O)CO 698979573 UZSGKRCYFVVAME-SKDRFNHKSA-N 268.313 -0.104 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1cc(N)ccc1O 720552273 DDLSQOPGHZLBJJ-UHFFFAOYSA-N 280.328 -0.732 10 10 CBCE CN(CC(N)=O)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 757816030 KRXWBHCBQIDVKR-UHFFFAOYSA-N 280.240 -0.153 10 10 CBCE COc1ccc(CN[C@H](CO)CNC(=O)C(N)=O)cc1C 1725539010 FKUROEMDBKHXLH-NSHDSACASA-N 295.339 -0.944 10 10 CBCE O=C1C[C@@H](c2cc(O)nc(O)c2)[C@@H](C(=O)O)C(=O)N1 1952376807 UCOALKUVBBACKN-SSDLBLMSSA-N 266.209 -0.676 10 10 CBCE N[C@@H]1COCC[C@H]1NC(=O)c1cc(O)nc(O)c1 2031531729 DUMHQFZHBJYBIR-HTQZYQBOSA-N 253.258 -0.661 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC12CNC2 2068623562 HTZMJDORSQDQHJ-UHFFFAOYSA-N 250.254 -0.009 10 10 CBCE C[C@H](CS(N)(=O)=O)NCc1cc2c(cc1O)OCO2 2096641858 ISCUDIQISXVXMH-SSDOTTSWSA-N 288.325 -0.113 10 10 CBCE O=C(NC[C@H](CO)C(=O)O)c1cc(O)c(O)c(O)c1 2132350479 NUAMJPWRDIKXGN-ZCFIWIBFSA-N 271.225 -0.774 10 10 CBCE O=C(NC[C@@H]1CCS1(=O)=O)c1cc(O)c(O)c(O)c1 2132403466 KEWFLASWEOJBQR-ZETCQYMHSA-N 287.293 -0.280 10 10 CBCE O=C(NC[C@@]1(O)CCCNC1)c1cc(O)nc(O)c1 2136617889 PZCQFTAHBYTSMN-GFCCVEGCSA-N 267.285 -0.663 10 10 CBCE COC1(CO)CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3O)C1 2157308185 QLWPEWWCXGMWHE-GFCCVEGCSA-N 278.308 -0.106 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@H](CO)C1 2188867884 ISKVYSRKYZWHJF-QMMMGPOBSA-N 283.280 -0.116 10 10 CBCE O=C1N[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]2O1 2188920478 VUQSJBWDJZYDGY-RCOVLWMOSA-N 280.236 -0.264 10 10 CBCE CN(C[C@@]1(O)CCNC1)C(=O)c1cc(O)c(O)c(O)c1 2188921848 DJPOIGLXPRNGIK-CYBMUJFWSA-N 282.296 -0.400 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CNCC[C@@H]2CO)cc1 2191651425 YPJGFLUVIKIVNJ-ZWNOBZJWSA-N 279.340 -0.266 10 10 CBCE O=C(N[C@@H]1[C@@H]2CN[C@H]1C2)c1cc(O)c(O)c(O)c1 2311829898 GHRAUPATLFKNTK-MHYGZLNHSA-N 250.254 -0.107 10 10 CBCE O=S(=O)(CCO)CCNCc1ccc(O)c(O)c1O 2335778596 YNXHBICEALKMQM-UHFFFAOYSA-N 291.325 -0.700 10 10 CBCE NC(=O)C(NCc1cccc(Cl)c1O)C(N)=O 695316324 JVDUZJGEWXDIOD-UHFFFAOYSA-N 257.677 -0.526 10 10 CBCE O=C(NC1[C@H]2CNC[C@H]12)c1cc(O)c(O)c(O)c1 2068613862 AUDVTWUXVKAANF-BQBZGAKWSA-N 250.254 -0.249 10 10 CBCE CO[C@@H](C)[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2087687973 CIOZNCAOYAWXMY-CDUCUWFYSA-N 270.241 -0.289 10 10 CBCE Cn1cc(CCn2ccc3c(c2=O)CNCC3)nn1 2108098782 UVDOGMWXJAPQRN-UHFFFAOYSA-N 259.313 -0.135 10 10 CBCE CCOc1cccc(CNCC(CO)(CO)CO)c1O 2179797929 JTSNCADLDINKLO-UHFFFAOYSA-N 285.340 -0.156 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@H]1[C@H](O)[C@@H](O)C2 2190187500 FVQKKADVEZXAOT-PEFMBERDSA-N 280.280 -0.409 10 10 CBCE COc1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)c1 2200861409 MADUSEZWLJSMJE-TUAOUCFPSA-N 283.280 -0.609 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(C)c1 2219581103 WBZBEZAABTWGMS-RWMBFGLXSA-N 253.298 -0.094 10 10 CBCE O=C(NCC[C@@]1(O)CCNC1)c1cc(O)nc(O)c1 2230119084 REGQQPMSQXEABJ-LBPRGKRZSA-N 267.285 -0.663 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1[C@@H](C)O 2269692428 VWXBXZGEZXECBI-WBMYTEFPSA-N 267.325 -0.049 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2354368055 HPGSKFWRFYADMB-FRRDWIJNSA-N 278.308 -0.134 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@@H]3CO)ccc21 222946633 RNDBXPBRRIKRMF-CABZTGNLSA-N 263.297 -0.164 10 10 CBCE NS(=O)(=O)CCNC(=O)[C@H]1CNc2ccccc2N1 229877380 UEWPFVNSMZSNGF-SNVBAGLBSA-N 284.341 -0.703 10 10 CBCE CNC(=O)CS(=O)(=O)CCC(=O)Nc1ccc(N)cc1 380063019 VZTGZADWLXNVJK-UHFFFAOYSA-N 299.352 -0.242 10 10 CBCE CCN1CC[C-]2C(=S=C3N[C-](S)N(N)C(=O)[C-]32)C1 642811631 LQAWTDNGBMPNQN-UHFFFAOYSA-N 283.402 -0.408 10 10 CBCE NC(=O)[C@@H]1CN(c2ccc(CO)cc2)C[C@H]1C(N)=O 693460041 DPSCZEPNNCHMNU-GHMZBOCLSA-N 263.297 -0.798 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCC(CO)(CO)C1 694633829 CBXLSMOPZIBATN-UHFFFAOYSA-N 267.281 -0.085 10 10 CBCE COc1ccc([C@@H](C)NC(C(N)=O)C(N)=O)c(O)c1 695276978 OHOBLXLTTQGWOJ-ZCFIWIBFSA-N 267.285 -0.609 10 10 CBCE COC(=O)[C@@H](O)CCNC(=O)c1cccc(O)c1O 1472434028 LFLGZEWPUMJRNU-VIFPVBQESA-N 269.253 -0.248 10 10 CBCE NC(=O)CCS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2089654116 OGPNVHJFKIPMIM-UHFFFAOYSA-N 287.293 -0.429 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc2[C@@H]1O 2105106880 AOLONYVYWJHUSM-SBMIAAHKSA-N 264.281 -0.396 10 10 CBCE O=C(N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1ccc(O)c(O)c1 2118056996 IYVDLVXMJYKLLV-VROVMSAKSA-N 283.305 -0.129 10 10 CBCE NC[C@@H]1C[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2131037897 QIDFOYKKJYWQCW-UWVGGRQHSA-N 266.297 -0.439 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2136297091 WJPRJFRZJAYSAT-RFGFWPKPSA-N 265.309 -0.431 10 10 CBCE Nc1ccc(O)c(CNC(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)c1 2174573903 QCTMRTCNXXLDKK-IAZYJMLFSA-N 296.348 -0.119 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@H]2O 2182529453 IUULBZZPCARUMO-FQPOAREZSA-N 279.292 -0.089 10 10 CBCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1O 2183627585 RTUQMYODJJJGDK-HJIKLVIJSA-N 280.324 -0.277 10 10 CBCE CN1CCc2cc([C@@H](N)[C@H](O)c3nnnn3C)ccc21 2196244966 AZJNRADDKSFYII-NEPJUHHUSA-N 274.328 -0.064 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2ccc(O)cc2O)C[C@@H]1O 2197473434 MHYPHJDCJCOMNN-WCQYABFASA-N 283.280 -0.520 10 10 CBCE CN1CCOC[C@H]1Cn1ccc2c(c1=O)CNCC2 2267893019 IXRQDZKDCLMIJC-GFCCVEGCSA-N 263.341 -0.175 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1F 2273680754 KHABXKKXWUNLTQ-LJUAHTATSA-N 271.288 -0.015 10 10 CBCE CCNCc1ccc(N(CC(N)=O)CC(N)=O)cc1C 61808279 XIAGPVNHXCBCFO-UHFFFAOYSA-N 278.356 -0.118 10 10 CBCE COc1ccc(CNC(=O)C[C@H]2C(=O)NN(C)C2=O)cc1 169995698 ZLIIEXDXFVPPMW-NSHDSACASA-N 291.307 -0.179 10 10 CBCE CN1CCc2cc(CN3CCNC[C@H]3C(N)=O)ccc21 250392382 PRBKQMVSLJUOLJ-AWEZNQCLSA-N 274.368 -0.062 10 10 CBCE NC(=O)C[S@@](=O)C[C@@H](O)COc1ccc(N)cc1 722445652 VLRXYJXIDMPNOX-YYSFKGJASA-N 272.326 -0.758 10 10 CBCE CN(CCCN=[N+]=[N-])S(=O)(=O)CS(C)(=O)=O 1912150343 RSOXJJIHJAANFW-UHFFFAOYSA-N 270.336 -0.050 10 10 CBCE C[C@H](N)c1ccc(N2CC(O)(C(N)=O)C2)c(F)c1 1915249402 XNAPRFAVIKSNNC-ZETCQYMHSA-N 253.277 -0.118 10 10 CBCE O=C1C[C@@H](NCc2ccc(O)c(O)c2O)C(=O)N1 2034960124 YOAYAYLSTJBWMA-ZCFIWIBFSA-N 252.226 -0.692 10 10 CBCE C[C@H](O)CNCCNC(=O)Cc1ccc(N)cc1 2071721333 PRVJLWGASAJXNA-JTQLQIEISA-N 251.330 -0.102 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@](O)(CO)C1 2087723267 UDFYSBPXRMXNTN-CYBMUJFWSA-N 267.281 -0.404 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCC1=O 2090634670 LEHGNJPTHREQQZ-VIFPVBQESA-N 266.253 -0.077 10 10 CBCE CNCc1ccc(N2CC(O)(C(N)=O)C2)cc1OC 2139686388 VHGWAUQFTYFWJO-UHFFFAOYSA-N 265.313 -0.549 10 10 CBCE N[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1CO 2178904921 AMFHFMSBXSRQJM-QWRGUYRKSA-N 280.324 -0.192 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@H]3[C@@H](O)CO)ccc21 2179795069 NLAWOZGAUGDCMR-AVGNSLFASA-N 277.324 -0.040 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)CC12CNC2 2186616241 KTAPCCQLNQUHFD-JTQLQIEISA-N 278.308 -0.425 10 10 CBCE NC(=O)[C@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2268353493 TZQOYDNBASTPPP-IUCAKERBSA-N 264.281 -0.122 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2311701452 BNCMSSBVQCCQQL-STRQVWJDSA-N 253.298 -0.357 10 10 CBCE CS(=O)(=O)C[C@H](N)C(=O)NCc1ccccc1O 2313846359 WUBWEDFTBTYVIB-VIFPVBQESA-N 272.326 -0.620 10 10 CBCE Cc1ccc(O)c(CN2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)c1 2332874420 XUPBCTLPPUHKRB-IJLUTSLNSA-N 267.281 -0.309 10 10 CBCE C[C@@H](C(=O)NC(N)=O)N1CCN(c2ccc(N)cc2)CC1 57470039 WVPJWSAUWYLSIA-JTQLQIEISA-N 291.355 -0.026 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](CO)C1)OCCO2 316213353 SSDNYWURFVYVPF-KCJUWKMLSA-N 266.297 -0.171 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c(F)c1 693397703 GGHQBSMAZDMVNW-DTORHVGOSA-N 280.303 -0.693 10 10 CBCE CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1ccccc1O 1643738899 WLYYVKKDDZBPIF-SECBINFHSA-N 293.323 -0.178 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@H](N)[C@@H](CO)C2)cc1 1876483405 PGDUTPBRJMXTSR-YPMHNXCESA-N 263.341 -0.021 10 10 CBCE Nc1ccc(CN2CC[C@H](O)[C@H](O)[C@H]2C(=O)O)cc1 1891411301 MQIQYRCUGRVXLR-SRVKXCTJSA-N 266.297 -0.351 10 10 CBCE Nc1ccc(NS(=O)(=O)N2CC[C@@H](O)C2)cc1 1914154223 PMVOQDJMVRLZHM-SNVBAGLBSA-N 257.315 -0.008 10 10 CBCE NCCN(CCO)c1cc2c(cc1N)OCCO2 2071591083 RHISLDUIWJWMAC-UHFFFAOYSA-N 253.302 -0.203 10 10 CBCE COC(=O)c1cccc(N)c1N[C@H]1CNC[C@@H]1O 2071719990 VSPSSDOTRZEYFM-UWVGGRQHSA-N 251.286 -0.200 10 10 CBCE C[C@]1(CF)[C@H]2CC[C@@]1(C(=O)NCCN)C(=O)C2=O 2078860253 RPWXVHQUCRMUQE-QILRFPOHSA-N 256.277 -0.415 10 10 CBCE O=C(O)CC[C@@H](O)CNC(=O)c1cc(O)nc(O)c1 2110234870 RIQBSQAYCVOQAN-SSDOTTSWSA-N 270.241 -0.552 10 10 CBCE O=C(NC1(C(=O)O)COC1)c1cc(O)c(O)c(O)c1 2132348782 SAWIAMLTNXEHBG-UHFFFAOYSA-N 269.209 -0.613 10 10 CBCE O=C1N[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]2O1 2188920476 VUQSJBWDJZYDGY-IMTBSYHQSA-N 280.236 -0.264 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(=O)O 2225793075 SIWZMPAIMIUAQS-RNFRBKRXSA-N 290.301 -0.500 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1F 2312394409 MWOKXSCOOMYUQC-UMNHJUIQSA-N 257.261 -0.263 10 10 CBCE CC(=O)NC1CN(C(=O)COc2ccc(N)cc2)C1 387549648 BHDWUGKQKJIOMY-UHFFFAOYSA-N 263.297 -0.006 10 10 CBCE CC(=O)C(=O)COC(=O)[C@](C)(O)Cn1ccc(C)cc1=O 808545675 JWOVKCVICLBTSR-CQSZACIVSA-N 295.291 -0.391 10 10 CBCE CC(C)(C)OC(=O)N[C@H]1[C@H]2O[C@@H](C(=O)C2=O)[C@@H]1C(=O)O 1848349880 BJBLGEJRQAEIBT-ILCAFMNSSA-N 285.252 -0.500 10 10 CBCE NC[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCO1 1876532289 ZPVGVHIHYRDQNT-LBPRGKRZSA-N 285.369 -0.242 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC[C@@H]2N)cc1 2071690345 PVTFSUVJHQYHMH-WDEREUQCSA-N 271.342 -0.586 10 10 CBCE CCOC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2101425059 SVAHQCUMQOJAEE-SSDOTTSWSA-N 270.241 -0.288 10 10 CBCE O=C(NCC[C@@]1(O)CCNC1)c1cc(O)c(O)c(O)c1 2238456376 KJMAJJWAYJIIMZ-ZDUSSCGKSA-N 282.296 -0.352 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1cccc(C)c1O 83391581 IVJDIPMORMBXLK-JTQLQIEISA-N 252.270 -0.010 10 10 CBCE COc1cccc([C@H](N)C(=O)NC[C@@H](C)O)c1O 83398275 KEAYXGPOWWSWDG-XCBNKYQSSA-N 254.286 -0.102 10 10 CBCE N[C@H](c1nnc([C@H](O)CO)o1)c1cccc(F)c1O 83512421 NTNRGUNKCLCATQ-SFYZADRCSA-N 269.232 -0.012 10 10 CBCE O=C1NCCN(c2ccc3c(c2)OCO3)[C@@H]1CO 214523679 FZVNKTXASVMMCJ-SECBINFHSA-N 250.254 -0.288 10 10 CBCE C[C@@H]1O[C@H](Oc2ccc(N)cc2)[C@H](O)[C@@H](O)[C@H]1O 255966891 CITVZWPAGDTXQI-ZXEZZVQBSA-N 255.270 -0.525 10 10 CBCE CN(C(=O)CN1CCCNS1(=O)=O)c1ccc(N)cc1 308381686 YVHPJXGLPXEBIX-UHFFFAOYSA-N 298.368 -0.228 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](CO)[C@@H](O)C2)cc1 317734220 WHRPTZZQSCPSSI-CABZTGNLSA-N 265.313 -0.508 10 10 CBCE C[C@H](N)c1ccc(N(CC(N)=O)CC(N)=O)c(F)c1 723167768 WJYKVDAVZOOYCN-ZETCQYMHSA-N 268.292 -0.378 10 10 CBCE C[S@](=O)CCNC(=O)c1cc(O)c(O)c(O)c1 2015074442 HABOFFWJLXMYBD-KRWDZBQOSA-N 259.283 -0.088 10 10 CBCE Oc1c(F)cccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046514510 NZSDZOJQJWTNMP-QCZKYFFMSA-N 257.261 -0.524 10 10 CBCE C[C@@](O)(CCO)CNC(=O)c1cc(O)c(O)c(O)c1 2132350212 LRHGTGCFHPLXIN-GFCCVEGCSA-N 271.269 -0.333 10 10 CBCE COC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(O)c(O)c1 2158999173 FZLPHABTGRRTNQ-ZETCQYMHSA-N 283.236 -0.156 10 10 CBCE C[C@H]1CNC(=O)CN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 2181160419 CFCWCKZZUZLRMD-SDBXPKJASA-N 274.324 -0.013 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2CC3(CNC3)C2)cc1 2191778653 ODFXUMLKWPYGCM-UHFFFAOYSA-N 297.380 -0.117 10 10 CBCE C[C@H](c1c(O)cccc1O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)O 2200865268 ROMMCYBACBZUSO-MRMBBHIPSA-N 283.280 -0.351 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@H](O)[C@H]1CF 2205598763 GVZOWXUIDQEEBY-YDEJPDAXSA-N 285.271 -0.458 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(CO)c1 2235969132 AAZSXIMTIOJIND-ZIAGYGMSSA-N 283.324 -0.518 10 10 CBCE NC(=O)[C@@H]1CNCCN1Cc1ccc(O)c(O)c1 88659106 KCWAOWQUCWTGAI-VIFPVBQESA-N 251.286 -0.643 10 10 CBCE Nc1ccc(OCCC(=O)OC[C@H](O)CO)cc1 130729425 YWJKVIRXLRLTAD-SNVBAGLBSA-N 255.270 -0.066 10 10 CBCE CO[C@H](CCNC(=O)c1cc(O)nc(O)c1)C(=O)O 401432752 IQJQXXLZTIVBNC-SSDOTTSWSA-N 270.241 -0.288 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COC[C@H]1O 1556632636 YAAPJHIXYMNQFW-LDYMZIIASA-N 253.254 -0.484 10 10 CBCE O=C(N[C@H]1COC[C@H]1CO)c1ccc(O)c(O)c1 2029858611 VDNCGJGGLMFGJP-BDAKNGLRSA-N 253.254 -0.165 10 10 CBCE NCC1(F)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068618579 RTSIZOKLZLZDAK-UHFFFAOYSA-N 256.233 -0.074 10 10 CBCE N[C@H]1COCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2092391407 SWNRZFNQAWITJA-VHSXEESVSA-N 266.297 -0.127 10 10 CBCE COc1cc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1CO 2204547058 HJYPSFOMYLYYEX-PHIMTYICSA-N 276.292 -0.104 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CN)c(OC)c1 2234073996 SBCSXOWHTAMTGG-YRGRVCCFSA-N 282.340 -0.289 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2354482201 HUGHZEOLYAQBQH-LBLXLQPISA-N 279.292 -0.407 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCCNC2=O)cc1 50397207 XSSYYSNWXUKIHV-LLVKDONJSA-N 283.353 -0.033 10 10 CBCE CCN[C@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 233629374 JBTZITKLKTVLAZ-FRRDWIJNSA-N 277.324 -0.169 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC[C@](O)(CO)C3)ccc21 314279407 YOVDHQGUNQQEPQ-DGCLKSJQSA-N 263.297 -0.428 10 10 CBCE CN(C(=O)CN(C)[C@@H]1COC[C@@H]1O)c1ccc(N)cc1 709258390 NMPMPHGIDPQUMJ-OLZOCXBDSA-N 279.340 -0.077 10 10 CBCE CN1CCNC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1971623216 LSXMRVSMRNYLKL-LLVKDONJSA-N 279.340 -0.340 10 10 CBCE CS(=O)(=O)CS(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2006018223 IPVLCCCPQPFRIU-UHFFFAOYSA-N 282.347 -0.002 10 10 CBCE N[C@H]1COC[C@@H]1CNC(=O)c1cccc(O)c1O 2036569443 VBFAYLCBOKEIDC-CBAPKCEASA-N 252.270 -0.199 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1NCC[C@H](O)[C@@H]1O 2127598640 JEHBCPYRVOSKOQ-TUAOUCFPSA-N 266.297 -0.908 10 10 CBCE COC(=O)[C@@H](CC(=O)O)NC(=O)c1ccc(O)c(O)c1 2159006007 FZLPHABTGRRTNQ-SSDOTTSWSA-N 283.236 -0.156 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@H]2C[C@@H]21 2171877679 OUVZFTVFHJASLM-KWBADKCTSA-N 278.308 -0.033 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 2191794967 GHQJKRGGFANIBB-JGVFFNPUSA-N 278.312 -0.502 10 10 CBCE C[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C[C@@H]1O 2197963207 AASORZGUXPJCKV-OBJOEFQTSA-N 278.308 -0.006 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)CCC[C@@H]2O 2201007131 RHEFVQWVIVDVGH-BARDWOONSA-N 279.336 -0.041 10 10 CBCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@H](O)[C@H]1CO 2235966457 TVDRLNIMJMKNFZ-HZSPNIEDSA-N 282.340 -0.683 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1F 2273680755 KHABXKKXWUNLTQ-QWRKXWFKSA-N 271.288 -0.015 10 10 CBCE Nc1ccc(OCC(=O)NCCOCCO)cc1 52924928 AGZPTYJDRXJWNN-UHFFFAOYSA-N 254.286 -0.227 10 10 CBCE C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(O)nc(O)c1 168433827 MWWQRYMYORHWPF-IONNQARKSA-N 268.269 -0.285 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 316010217 ABOLSWKFPXLRAA-PWSUYJOCSA-N 250.298 -0.377 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)[C@@H](CO)C1)NC(=O)CO2 316208569 SIOOIOMEBXBNNJ-RDDDGLTNSA-N 279.296 -0.611 10 10 CBCE CCO[C@@H]1COCC[C@]1(NCCN=[N+]=[N-])C(N)=O 686591824 XVKPXTLTONQOPE-PSASIEDQSA-N 257.294 -0.064 10 10 CBCE CCN[C@H]1CCOC[C@H]1NC(=O)c1cc(O)nc(O)c1 721632843 NQELEHGAWAGHMB-VHSXEESVSA-N 281.312 -0.010 10 10 CBCE CN(C[C@H](O)CN)C(=O)COc1ccc(N)cc1 2071685882 BMBZERDRWKSZTL-SNVBAGLBSA-N 253.302 -0.574 10 10 CBCE N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@@H]2COC[C@@H]12 2102180155 HIXNTGFCDKXFLJ-IVZWLZJFSA-N 264.281 -0.104 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](CO)C[C@@H]2CO)cc1 2146079535 JEJLMMMUOWMGIX-ZWNOBZJWSA-N 279.340 -0.118 10 10 CBCE O=C(O)[C@@H](F)C1(O)CN(C(=O)c2cccc(O)c2O)C1 2172299721 DDFVGASMVAYRRU-SECBINFHSA-N 285.227 -0.293 10 10 CBCE O=C(O)C1=C[C@H](O)[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2188069217 ZASFWQVFARLCHF-WPRPVWTQSA-N 279.248 -0.028 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](O)C3)c(F)cc2[C@@H]1O 2188679666 KCWKKNVRQUFZEP-SRVKXCTJSA-N 282.271 -0.257 10 10 CBCE C[C@@H](O)CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2193547191 HZQOKKOZKULBRU-VXNVDRBHSA-N 283.280 -0.019 10 10 CBCE CC(C)(C)OC(=O)N1CC(COc2nnc(=N)[nH]n2)C1 2209173436 SWEPBEPBBCHLJH-UHFFFAOYSA-N 282.304 -0.075 10 10 CBCE NC(=O)COCCOC(=O)Cc1ccc(N)cc1 2224066604 NBOMIZNRYSNDCI-UHFFFAOYSA-N 252.270 -0.144 10 10 CBCE Cc1cc(NS(=O)(=O)C[C@@H](N)C(=O)O)ccc1O 2258185201 OROQITUZKXHASO-MRVPVSSYSA-N 274.298 -0.146 10 10 CBCE CN(C)CCCNC=C1C(=O)NC(=O)N(C)C1=O 2296548876 SYFAKGAOCGHBCD-UHFFFAOYSA-N 254.290 -0.880 10 10 CBCE O=C(CN1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O)c1ccc(O)c(O)c1 2354470907 GHLUFRWNJBHGSE-AWRWRYAPSA-N 279.292 -0.294 10 10 CBCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 2355943045 BBURSGPJNLTQLW-SRVKXCTJSA-N 277.324 -0.041 10 10 CBCE C[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@@H]1O 2357528151 VBFUMAUOZGLLID-SGMGOOAPSA-N 277.324 -0.040 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCn1ccnc1 41120046 VAMIYPBCZQWHRX-NSHDSACASA-N 290.323 -0.020 10 10 CBCE C[C@@H](O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 85989755 WMQDOVIOGCIIEQ-SCZZXKLOSA-N 268.313 -0.145 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@@H](O)CO)cc1 90281804 SEPPPAIRCBTPPB-SNVBAGLBSA-N 254.286 -0.493 10 10 CBCE NCc1ccc(N(CC(N)=O)CC(N)=O)c(F)c1F 236283786 ZNKMYUMHLKJVCV-UHFFFAOYSA-N 272.255 -0.800 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](CO)[C@@H](CO)C2)cc1 704757800 BQKZZNCMRRJGFX-PHIMTYICSA-N 279.340 -0.260 10 10 CBCE O=C(NCc1cc(O)ccc1O)[C@H]1CCS(=O)(=O)N1 1153884729 GWLTUBYRECSLFK-SECBINFHSA-N 286.309 -0.594 10 10 CBCE O=C1NCC[C@@H]1C(=O)NCc1cccc(O)c1O 1263894522 KGIVBPVVWWIOFI-QMMMGPOBSA-N 250.254 -0.150 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912151550 ISTVAFUOWRADJM-MRVPVSSYSA-N 290.349 -0.459 10 10 CBCE O=C1Nc2cc(N3CC(CO)(CO)C3)ccc2[C@@H]1O 1914980304 SOWIQNARXCZKCE-NSHDSACASA-N 264.281 -0.537 10 10 CBCE COC1(CO)CN(C(=O)c2cc(O)nc(O)c2)C1 2039553747 ZNARVDJYCIMGFX-UHFFFAOYSA-N 254.242 -0.674 10 10 CBCE NC(=O)C1(N)CCN(C(=O)c2cccc(O)c2O)CC1 2154305326 ABKJYSRGXDIWOX-UHFFFAOYSA-N 279.296 -0.483 10 10 CBCE C[C@@]1(C(=O)O)COCCN1C(=O)c1cc(O)nc(O)c1 2201204790 QBQQMHYTINMVSD-LBPRGKRZSA-N 282.252 -0.192 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CC[C@H]1O 2205487929 ZXGGERZYYDUXLJ-OUAUKWLOSA-N 280.324 -0.145 10 10 CBCE CN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1cccn(C)c1=O 2224781432 HFZPVARAISJWQY-ONGXEEELSA-N 263.297 -0.634 10 10 CBCE C[C@@H](NCC1(O)CS(=O)(=O)C1)c1ccc(O)cc1O 2267902170 QYGZHZIBZJCKBW-MRVPVSSYSA-N 287.337 -0.092 10 10 CBCE NCC[C@@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2341151165 BTPKWVNRIIVILR-SNVBAGLBSA-N 266.297 -0.308 10 10 CBCE C[C@H](C(N)=O)N(CC(N)=O)Cc1ccc(N)cc1 35081209 FUELJKYQLOCHOG-MRVPVSSYSA-N 250.302 -0.570 10 10 CBCE NC(=O)CN(CCN1CCNC1=O)Cc1ccc(N)cc1 35366635 BOSCYBMWMUWFAY-UHFFFAOYSA-N 291.355 -0.419 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1CCC(=O)Nc1ccc(N)cc1 97290349 LDVRNSOGQUNJDN-VIFPVBQESA-N 290.323 -0.056 10 10 CBCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@@H](C)O 386885151 JCOHEERSFIPOBU-XKSSXDPKSA-N 268.313 -0.147 10 10 CBCE CCn1cc([C@](C)(NCCN=[N+]=[N-])C(N)=O)nn1 714981088 NGKWGCFFWUDVJM-VIFPVBQESA-N 252.282 -0.102 10 10 CBCE NOCCS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 722225594 YQEYQCSDIMGUJI-UHFFFAOYSA-N 277.258 -0.068 10 10 CBCE NC(=O)N[C@@H](CO)C(=O)NCc1cccc(Cl)c1O 1640404993 KATASBLUPKLSIM-QMMMGPOBSA-N 287.703 -0.309 10 10 CBCE Nc1ccc(CC(=O)NCCN2CC[C@H](O)C2)cc1 1865957040 QSZLVMBTBIRBMF-ZDUSSCGKSA-N 263.341 -0.006 10 10 CBCE NC(=O)C1(N)CN(c2cc3c(cc2N)OCCO3)C1 1876391136 UQQLGEAAEGOGQC-UHFFFAOYSA-N 264.285 -0.957 10 10 CBCE Nc1ccc(CC(=O)N2CCNC[C@H]2C(=O)O)cc1 1876487121 PYCDESWQRHYQIF-NSHDSACASA-N 263.297 -0.304 10 10 CBCE COC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CNC1 1913913568 SHZZQAWWDYCOMM-UHFFFAOYSA-N 280.280 -0.729 10 10 CBCE NC1[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2068623523 HOXMFQLIMRMNSC-BQBZGAKWSA-N 250.254 -0.168 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C(N)[C@H]3C2)cc1 2071737775 GOIKLEBDNUHFDP-QWRGUYRKSA-N 267.354 -0.013 10 10 CBCE NC(=O)[C@@H]1CCN1C[C@@H](O)COc1ccc(N)cc1 2089358629 IINXZVIHDFXOLD-PWSUYJOCSA-N 265.313 -0.432 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3C(N)=O)ccc21 2089366000 ONAMHEFNGDNNJU-MNOVXSKESA-N 260.297 -0.037 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)C[C@@H](O)C2)cc1 2105109941 DOFVIEICTSAKBV-GHMZBOCLSA-N 266.297 -0.398 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@@H](O)[C@@H](O)C2)cc1 2188630288 BPGTYCLTBPOMJN-BNOWGMLFSA-N 282.340 -0.564 10 10 CBCE NC[C@H](c1ccc(O)cc1O)N1CCN(CCO)CC1 32050022 CDPZFHSTGZLSKG-CYBMUJFWSA-N 281.356 -0.293 10 10 CBCE COc1ccc(N2CCN(C[C@H](N)C(N)=O)CC2)cc1 59531341 KBQCDLMTTRIRFA-ZDUSSCGKSA-N 278.356 -0.370 10 10 CBCE O=C(O)CNC[C@H]1NCCc2c1ccc(O)c2O 75794091 HJXKWRWJZDNFTQ-SECBINFHSA-N 252.270 -0.041 10 10 CBCE CN1C(=O)CC[C@@H](Nc2c(N)cccc2C(N)=O)C1=O 161207562 KNLSJULSXUKUBM-SECBINFHSA-N 276.296 -0.073 10 10 CBCE CNCc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 311847406 NWDLJXIGFZKGRV-ZDUSSCGKSA-N 267.304 -0.028 10 10 CBCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CC(=O)N1 395692529 BUEKCSWTOHPPNY-KRTXAFLBSA-N 260.297 -0.037 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@@H](O)C3)ccc21 399864656 NUJMLVJRCZZSGP-CABZTGNLSA-N 263.297 -0.164 10 10 CBCE N[C@@H]1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3)CCN2C1 405291299 YBYOGRMVYODWEO-MNOVXSKESA-N 277.324 -0.045 10 10 CBCE Cc1ccc(O)c(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 693452434 DYSOQNOVVCWXLU-QWRGUYRKSA-N 277.324 -0.281 10 10 CBCE Cc1ccc(C(=O)N2CC(O)(CO)C2)c(O)c1O 854672217 CSUZPIQJQMCRQR-UHFFFAOYSA-N 253.254 -0.415 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 2121367300 GTHHLAVVMGXFMD-MNOVXSKESA-N 284.337 -0.915 10 10 CBCE Nc1ccc(OCCC(=O)NCC[C@@H](O)CO)cc1 2125848319 ZSXZHQSBZUTALE-LLVKDONJSA-N 268.313 -0.103 10 10 CBCE CN(c1ccc(CO)cc1[N+](=O)[O-])[C@H]1CC(=O)NC1=O 2171193856 XNVNONLLYBQIIZ-JTQLQIEISA-N 279.252 -0.062 10 10 CBCE Nc1ccc(OCC(=O)N2CCC[C@H]2[C@H](O)CO)cc1 2179804422 RRVIQHJCYFHIQG-QWHCGFSZSA-N 280.324 -0.008 10 10 CBCE N[C@H]1CCCc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CO)ccc21 2201037664 PKRNUKHREHBIMY-XGUBFFRZSA-N 278.352 -0.075 10 10 CBCE OCc1cc(F)c(N2CC[C@](O)(CO)[C@@H](O)C2)c(F)c1 2234094940 CYBZRVSECZPFJL-AAEUAGOBSA-N 289.278 -0.249 10 10 CBCE C[C@H]1OC2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CC1(N)C2 2254783328 MMCIXJUGNLNJFQ-JRCGXRODSA-N 252.314 -0.099 10 10 CBCE N[C@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@@H](CO)C3)ccc21 2289403887 KOUWZAGQLZSJMX-KJEVXHAQSA-N 278.352 -0.217 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2289409967 YRUJSOFWHHGOPT-QEJZJMRPSA-N 280.368 -0.054 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2329333757 YEYQEGQDTZTNBW-UYHJVYHKSA-N 265.265 -0.336 10 10 CBCE C[C@@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1c(O)cccc1O 2329651703 ZKCFLIMAFMQIHQ-IZCLKSQFSA-N 269.297 -0.397 10 10 CBCE O=C1Nc2cc(N3CC([C@H](O)CO)C3)ccc2[C@@H]1O 2336878164 YUMHBTCSHMESQD-NEPJUHHUSA-N 264.281 -0.539 10 10 CBCE O=C(O)C1(N2CCc3cc(O)c(O)cc3C2)CNC1 2345133797 LERIXBGFJPMEFH-UHFFFAOYSA-N 264.281 -0.118 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](O)[C@H](O)C2)cc1 236352112 BGOXBYMTTLZPND-GHMZBOCLSA-N 251.286 -0.755 10 10 CBCE NCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1F 395318440 KCZBAUMZDXPXLW-UWVGGRQHSA-N 263.272 -0.007 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COCC[C@@H]2O)cc1 710884199 JXMPQLIENBMYOB-NEPJUHHUSA-N 286.353 -0.162 10 10 CBCE CN(CCC(N)=O)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 723150566 KRZAYAOTYPKAKR-GFCCVEGCSA-N 262.313 -0.026 10 10 CBCE CC(=O)C(=O)COC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 808507730 FVBPUZYIECEEEA-SECBINFHSA-N 295.295 -0.396 10 10 CBCE O=C1N[C@H](C(=O)NCc2c(O)cccc2O)CO1 1652628983 RPRUUNAFTQTMPR-ZETCQYMHSA-N 252.226 -0.178 10 10 CBCE CC(=O)NCCNC(=O)CN1CC[C@@H](CN=[N+]=[N-])C1 1912191736 VPIYHOVROAXEBC-JTQLQIEISA-N 268.321 -0.129 10 10 CBCE CN(CCC(N)=O)C(=O)c1cc(O)c(O)c(O)c1 2068577490 NUDJDWRLCTXTAE-UHFFFAOYSA-N 254.242 -0.249 10 10 CBCE CN1C[C@H](NC(=O)CCc2ccc(N)cc2)[C@H](O)C1 2090335666 BMVPNPHEPNXMQT-QWHCGFSZSA-N 263.341 -0.008 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@@H]2COC[C@@H]12 2102138771 XIZANYVZEWCEFJ-DJLDLDEBSA-N 265.269 -0.709 10 10 CBCE CN1CCc2cc([C@@H](NN)c3nnn(C)n3)ccc21 2106869063 BKTQVEGQTYSFTB-LLVKDONJSA-N 259.317 -0.245 10 10 CBCE O=C([C@H]1CNc2ccccc2N1)N1C[C@@H](O)C[C@@H](O)C1 2161393442 ITOOEZXQHZYDJN-GBIKHYSHSA-N 277.324 -0.153 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4NC(=O)O[C@@H]4C3)ccc21 2176915871 CIFVWDMLFAWHCL-MXWKQRLJSA-N 274.280 -0.065 10 10 CBCE O=C1C[C@H](C(=O)O)N(C(=O)c2cc(O)c(O)c(O)c2)N1 2188868457 RLNYCXBTRSGJNP-RXMQYKEDSA-N 282.208 -0.866 10 10 CBCE Nc1ccc(-n2ccc(C(=O)NC[C@@H](N)CO)n2)cc1 2191664584 XAMATQSRMJXBQH-SNVBAGLBSA-N 275.312 -0.496 10 10 CBCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CO 2235966460 TVDRLNIMJMKNFZ-RDBSUJKOSA-N 282.340 -0.683 10 10 CBCE COc1ccc(N2CC(NS(C)(=O)=O)C2)c(CCN)c1 2235968527 SQZPXZIVIPRLQM-UHFFFAOYSA-N 299.396 -0.066 10 10 CBCE CO[C@H]1[C@@H](NC(=O)c2cccc(O)c2O)C[C@H]1O 2258674237 CECSCPBEKCIRAT-NMLBEHRDSA-N 253.254 -0.024 10 10 CBCE CO[C@@H]1[C@H](N)C[C@H]1NC(=O)c1cccc(O)c1O 2258689292 WPMZHUHZKHNANG-SOCHQFKDSA-N 252.270 -0.058 10 10 CBCE CO[C@@H]1[C@@H](N)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2271152819 TTYHIWDMTZGPTJ-OKTBNZSVSA-N 268.269 -0.352 10 10 CBCE O=C(O)CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CCOC1 2288041966 HJURIZZAHDULNM-MRVPVSSYSA-N 282.252 -0.192 10 10 CBCE COc1ccc(O)c(CNC(=O)[C@H](N)CC(N)=O)c1 83494616 PFYGRMPMSYSZME-SECBINFHSA-N 267.285 -0.780 10 10 CBCE O=C(NCCN1C(=O)CSC1=O)c1cc(O)nc(O)c1 170223563 HTZXOTNXCKRRBY-UHFFFAOYSA-N 297.292 -0.082 10 10 CBCE NC(=O)CC[S@@](=O)CC(=O)Nc1ccc(N)cc1 399350872 YMVNFGFQNLJAIU-GOSISDBHSA-N 269.326 -0.169 10 10 CBCE CS(=O)(=O)N1CC[C@@H](Nc2c(N)cccc2C(N)=O)C1 400178699 GAARWRDPAOXRTN-MRVPVSSYSA-N 298.368 -0.187 10 10 CBCE CN1CCCc2cc(CNCC(O)(CO)CO)ccc21 1913787083 VNIDZVNZXUVWDD-UHFFFAOYSA-N 280.368 -0.126 10 10 CBCE O=S(=O)(NCc1ccccc1O)N1CC[C@@H](O)C1 1914124913 VBUBEPWISBGLNT-SNVBAGLBSA-N 272.326 -0.207 10 10 CBCE Nc1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@@H]2CF)c1 2084796184 ASSBYMAIVBFAQA-ZMLRMANQSA-N 256.277 -0.150 10 10 CBCE NC(=O)C1(CNS(=O)(=O)Cc2ccc(N)cc2)CC1 2121059331 RNQBORNKMMSGNR-UHFFFAOYSA-N 283.353 -0.046 10 10 CBCE C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(O)cc1O 2121364982 RRUUWJKICJLRIB-JWYUURKGSA-N 287.337 -0.094 10 10 CBCE N[C@H]1COCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132416984 BEXWCFDARSFABR-JGVFFNPUSA-N 268.269 -0.351 10 10 CBCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2136336498 MJSNEZJRAXDPSY-YIYPIFLZSA-N 266.341 -0.001 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2136341836 LQGXDMUJSIPDGU-IHRRRGAJSA-N 266.341 -0.301 10 10 CBCE C[C@H](NC(=O)[C@@H]1NC[C@@H](O)[C@@H]1O)c1ccccc1O 2136444985 OEJOHRVANKWBNC-BWWFWGKFSA-N 266.297 -0.737 10 10 CBCE CN(C(=O)CN1C(=O)CCS1(=O)=O)c1ccc(N)cc1 2145902301 FOBKRJBDTVMYLS-UHFFFAOYSA-N 297.336 -0.206 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@](CO)(CCO)C1 2153353647 GOYMPWLVIDOTOC-ZDUSSCGKSA-N 282.296 -0.300 10 10 CBCE O=C(N[C@@]12CC[C@@H](C1)[C@H](O)[C@H]2O)c1cc(O)nc(O)c1 2176910475 GUQCSNUOPPMJMT-YUZXBPMESA-N 280.280 -0.503 10 10 CBCE C[C@H](C(=O)O)N1CC(NC(=O)c2cccc(O)c2O)C1 2188307242 DCNXYODAHFHIGM-SSDOTTSWSA-N 280.280 -0.015 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1Cl 2273789618 FNDVHNJTELNRQD-TVYUQYBPSA-N 287.743 -0.017 10 10 CBCE CNS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2302414792 JHJFKSAVOWUKCM-UHFFFAOYSA-N 258.299 -0.080 10 10 CBCE Oc1cc2c(cc1O)CN([C@@H]1CNC[C@@H]1O)CC2 2318671616 PUOZLNKBGMQMAS-MFKMUULPSA-N 250.298 -0.211 10 10 CBCE Nc1ccc(CCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 63129854 UZDVQVUOSWGTFX-UHFFFAOYSA-N 274.280 -0.382 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCC(=O)N2)cc1 79925973 VMJJYDOXPAYEGA-LLVKDONJSA-N 283.353 -0.033 10 10 CBCE CNCCCNC(=O)[C@H](N)c1cc(O)ccc1O 83395688 ZSSNKXHAAQSUJS-LLVKDONJSA-N 253.302 -0.177 10 10 CBCE NCC[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1 83398215 GHQVWSDKWAZYAT-SNVBAGLBSA-N 254.286 -0.534 10 10 CBCE COc1ccc(N2CC(=O)N[C@@H](CN)C2)c(OC)c1 217136154 VVMJNHDJWZRHNS-VIFPVBQESA-N 265.313 -0.033 10 10 CBCE NC(=O)CC1CN(c2cc3c(cc2N)OCC(=O)N3)C1 382126568 WLYLJBPXLJHCMK-UHFFFAOYSA-N 276.296 -0.089 10 10 CBCE Nc1ccc(N(CCO)CCOS(=O)(=O)O)cc1 575419763 VKFPGOYJXQGDCU-UHFFFAOYSA-N 276.314 -0.113 10 10 CBCE O=C1N[C@H](C(=O)NCCc2ccc(O)c(O)c2)CO1 860235381 SIBJNIALDYYXLS-QMMMGPOBSA-N 266.253 -0.135 10 10 CBCE COc1ccc(CNC(=O)Cn2c(O)nnc2O)c(O)c1 1467470169 GETKGVYHCNPCCS-UHFFFAOYSA-N 294.267 -0.280 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(O)nc2=O)[C@H](O)[C@H]1F 1614606276 ISWXDJFQYOARQG-JAGXHNFQSA-N 287.207 -0.824 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2CNCCO2)cc1 1876521341 MLURDWVSGJMYRA-LBPRGKRZSA-N 265.313 -0.248 10 10 CBCE COC1([C@@H](NCCN=[N+]=[N-])C(N)=O)CCOCC1 1912145478 HRMZPOCZBQHLOD-QMMMGPOBSA-N 257.294 -0.064 10 10 CBCE COc1ccc(CNCC(O)(CO)CO)cc1C 1913790130 RWEVKJPURUWTKG-UHFFFAOYSA-N 255.314 -0.191 10 10 CBCE C[C@H](N)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2035449185 RTGPOFYQFNWDMN-QMMMGPOBSA-N 274.342 -0.093 10 10 CBCE O=c1c2c(ccn1C[C@]1(O)CCOC1)CCNC2 2050437832 FEYQMPOJUXAEQX-CYBMUJFWSA-N 250.298 -0.355 10 10 CBCE C[C@H](O)[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 2053799309 FAEDETOFMHWXQE-CBAPKCEASA-N 255.270 -0.502 10 10 CBCE C[C@](N)(CO)CNC(=O)c1cc(O)c(O)c(O)c1 2068624404 PAZKMDXLLMVUCN-LLVKDONJSA-N 256.258 -0.757 10 10 CBCE NCCONS(=O)(=O)CCOc1ccc(N)cc1 2071688628 NEVRDEGNHPCFRA-UHFFFAOYSA-N 275.330 -0.543 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN[C@@H]2COC[C@H]21 2132434933 SLUKLZKJLOVVKG-NXEZZACHSA-N 264.281 -0.089 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1C 2184131832 MRDJSJSCEFEKHR-LBPRGKRZSA-N 276.340 -0.495 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2C[C@H](O)[C@H](N)C2)cc1 2191650393 QOZIRVXKAMUNHM-WQAKAFBOSA-N 279.340 -0.138 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2ccc(F)cc2O)C[C@H]1O 2204630774 ZLRUDMHOGJBCDH-DGCLKSJQSA-N 285.271 -0.086 10 10 CBCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O 2225796304 VYMYAWSSFKPCBV-RQJHMYQMSA-N 266.261 -0.114 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC(O)(CCO)C3)ccc21 2286177456 AIEBACYAIZMWKG-GFCCVEGCSA-N 277.324 -0.167 10 10 CBCE O=C(NCCSCCO)c1cc(O)nc(O)c1 2299181845 GGRRKQWGTRZDIW-UHFFFAOYSA-N 258.299 -0.052 10 10 CBCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H]1CCNC1 62115794 IETJHCRAMKWAQR-UWVGGRQHSA-N 294.307 -0.181 10 10 CBCE CN(C)c1ccc([C@@H](N)C(=O)NC[C@@H](O)CO)cc1 83495158 FKPGVVQZTVGZNS-VXGBXAGGSA-N 267.329 -0.778 10 10 CBCE CN(C)C(=O)[C@H]1CNCCN1Cc1ccc(O)c(O)c1 89083281 UHKSVCTVMNWWMI-LLVKDONJSA-N 279.340 -0.040 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCO[C@@H](CO)C3)ccc21 168122097 IRVMCNKGGIXHKD-BXKDBHETSA-N 263.297 -0.164 10 10 CBCE CN(C)c1ccc(/C=C/C(=O)NC[C@@H](O)C(N)=O)cc1 228489085 CKUXEOVXRUXJKN-FZKGZDJFSA-N 277.324 -0.272 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H](O)[C@H](O)C3)cc21 234343468 XYBQCGYFWKILBM-GRYCIOLGSA-N 263.297 -0.795 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1 317512186 UXRGMMHNTKNKOA-CABZTGNLSA-N 266.297 -0.541 10 10 CBCE Cn1nc(O)n(CCOc2ccc(N)cc2)c1=O 700441178 UEFPGHCENXFYAL-UHFFFAOYSA-N 250.258 -0.051 10 10 CBCE O=C(NC[C@@]1(OCCO)CCOC1)c1cccc(O)c1O 855409454 RYELOHMZNFPBNV-AWEZNQCLSA-N 297.307 -0.004 10 10 CBCE NC(=O)C1(O)CN(c2ccc(CO)cc2[N+](=O)[O-])C1 1915237524 HNMWSGMKHNGMOE-UHFFFAOYSA-N 267.241 -0.877 10 10 CBCE CC(=O)c1cc(F)cc(CN2CC(O)(C(N)=O)C2)c1O 1915319854 NRJQFBIJIIQWMD-UHFFFAOYSA-N 282.271 -0.234 10 10 CBCE NC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1971226695 UIZHLCKPMWMXAW-SNVBAGLBSA-N 266.297 -0.174 10 10 CBCE C[C@H](O)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2052970526 CEJRTYMBARSGLU-CPCISQLKSA-N 254.286 -0.535 10 10 CBCE NC[C@@H](CO)C(=O)NCCc1ccc(O)c(O)c1 2067758778 WLQNAGKBQKIYAZ-VIFPVBQESA-N 254.286 -0.676 10 10 CBCE NC[C@H](c1ccc(O)c(O)c1)N1CCS(=O)(=O)CC1 2087117487 WNHHPWDASUCGBZ-SNVBAGLBSA-N 286.353 -0.172 10 10 CBCE NC[C@H]1COC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2097867514 AEWPAINJLGDDMJ-UWVGGRQHSA-N 266.297 -0.270 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1COC[C@H]1O 2099402433 IWFCCLOQIMJOHS-NWDGAFQWSA-N 265.313 -0.684 10 10 CBCE Nc1ccc(CN2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2110484254 OGYDBVGYLJRDOL-GHMZBOCLSA-N 260.297 -0.932 10 10 CBCE O=C(NC1[C@H]2CS(=O)(=O)C[C@H]12)c1ccc(O)c(O)c1 2118056997 IYVDLVXMJYKLLV-YUMQZZPRSA-N 283.305 -0.129 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](CO)C[C@H]1CO 2146128350 LWEQSXWZSFSQPG-MNOVXSKESA-N 281.308 -0.158 10 10 CBCE CN1C(=O)NCC12CN(C(=O)c1cccc(O)c1O)C2 2177674063 UJMWZKWPGYHUHE-UHFFFAOYSA-N 277.280 -0.053 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCCOC12CNC2 2188919947 QYKVEPHWOUMZCW-UHFFFAOYSA-N 280.280 -0.035 10 10 CBCE O=C1N[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]2O1 2188920475 VUQSJBWDJZYDGY-HZGVNTEJSA-N 280.236 -0.264 10 10 CBCE CN(Cc1nnn(C)n1)c1ccc2c(c1)NC(=O)[C@@H]2N 2197846283 LBPUPDYFSYQUOK-LLVKDONJSA-N 273.300 -0.202 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@H]2[C@@H](O)CO)cc1 2270710200 KWWRRODGIJMGLU-RYUDHWBXSA-N 286.353 -0.474 10 10 CBCE O=C1Nc2cc(N3CC([C@H](O)CO)C3)ccc2[C@H]1O 2336878167 YUMHBTCSHMESQD-VXGBXAGGSA-N 264.281 -0.539 10 10 CBCE CN(C)CC1(O)CN(C(=O)c2cccc(O)c2O)C1 2343645638 WIQWDEZZGILAQI-UHFFFAOYSA-N 266.297 -0.154 10 10 CBCE NC[C@@H](c1ccc(O)cc1O)N1CCN(CCO)CC1 32050027 CDPZFHSTGZLSKG-ZDUSSCGKSA-N 281.356 -0.293 10 10 CBCE O=C(O)[C@H](O)[C@@H]1NCCc2c1cc(O)c(O)c2O 75818775 RHPREIRXBIDFAP-GMSGAONNSA-N 255.226 -0.564 10 10 CBCE NC(=O)C[C@@H](N)C(=O)NCc1cc(F)ccc1O 83408521 DLDKOTPYFXCMDL-MRVPVSSYSA-N 255.249 -0.650 10 10 CBCE O=C(NCc1ccccc1O)c1cc(=O)[nH]c(=O)[nH]1 228424749 IMELSZDFKAYSPG-UHFFFAOYSA-N 261.237 -0.301 10 10 CBCE O=C(NC[C@H]1COCCN1)c1cccc(O)c1O 236611774 PLZDTTPJIHWLSU-QMMMGPOBSA-N 252.270 -0.184 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N(C)C(CO)CO)ccc21 394421534 DGFFASPAMSKISR-LBPRGKRZSA-N 265.313 -0.311 10 10 CBCE NCc1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c(Cl)c1 693398839 KZXKLILLSFCINB-IUCAKERBSA-N 296.758 -0.178 10 10 CBCE O=C(C[C@H]1CC(=O)NC1=O)NCc1ccc(O)cc1O 1638351668 AWNNICUXSZHGKI-QMMMGPOBSA-N 278.264 -0.233 10 10 CBCE Nc1ccc(-n2nnc(C(=O)NCCCO)n2)cc1 1857879090 UNHVFOACMHCPOI-UHFFFAOYSA-N 262.273 -0.643 10 10 CBCE O=[N+]([O-])c1ccc([C@@H]2CS(=O)(=O)NCCN2)c(O)c1 1952449703 TYRVQDPPPSCTKS-VIFPVBQESA-N 287.297 -0.136 10 10 CBCE NC(=O)CO[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 1971441293 MUOGJUIPGJBSKA-QMMMGPOBSA-N 280.280 -0.186 10 10 CBCE NC[C@@H]1C[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2067385639 OXJJVSSIVZXBCJ-YUMQZZPRSA-N 253.258 -0.973 10 10 CBCE NC[C@H]1C[C@@H](CNC(=O)c2cc(O)nc(O)c2)CO1 2102873789 VEDXJBXZVBQGBD-IONNQARKSA-N 267.285 -0.414 10 10 CBCE CC1(C)[C@H](O)[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2124805533 XHLAYUFRHUXBMY-OIBJUYFYSA-N 268.269 -0.551 10 10 CBCE COC1(CNC(=O)c2cc(O)c(O)c(O)c2)CNC1 2132399047 BQUVVYSCIUEIIS-UHFFFAOYSA-N 268.269 -0.478 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CCO)[C@@H](CO)C1 2149911190 FLFSTPRPSDZRAW-PSASIEDQSA-N 282.296 -0.444 10 10 CBCE C[C@@H](NCC1(O)CS(=O)(=O)C1)c1cc(O)ccc1O 2267902657 VGMGRPUCGHODKZ-MRVPVSSYSA-N 287.337 -0.092 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1 2289397064 FFWDZHMUMGIJNF-HHSCNIOUSA-N 284.331 -0.004 10 10 CBCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1 2312329949 QDPQUCFLELCNTD-RWMBFGLXSA-N 252.314 -0.298 10 10 CBCE Nc1nonc1C(=O)NCc1ccc(O)c(O)c1O 83483231 XICPLIKETQGQLH-UHFFFAOYSA-N 266.213 -0.301 10 10 CBCE CNC(=O)[C@@H]1CNCCN1C(=O)c1ccc(O)c(O)c1 234364827 VZAFOHCSLYBJSX-VIFPVBQESA-N 279.296 -0.742 10 10 CBCE C[C@H](O)CN(CCO)CC(=O)Nc1ccc(N)cc1 388318836 IKIXOIWODADJIN-JTQLQIEISA-N 267.329 -0.118 10 10 CBCE CS(=O)(=O)NC1CN(C(=O)COc2ccc(N)cc2)C1 702948079 GNIWTJDHJCETOE-UHFFFAOYSA-N 299.352 -0.592 10 10 CBCE CS(=O)(=O)CS(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912173185 ZQQGZZZKGJBQPD-ZCFIWIBFSA-N 268.320 -0.297 10 10 CBCE [N-]=[N+]=NC1CN(S(=O)(=O)N2CCC[C@H](O)C2)C1 1912201808 ZKEFWWCREZFCHR-QMMMGPOBSA-N 261.307 -0.318 10 10 CBCE COC1(CCN)CN(C(=O)c2cc(O)nc(O)c2)C1 1916771747 DMUJUGREKWQKLL-UHFFFAOYSA-N 267.285 -0.317 10 10 CBCE O=C(N[C@H]1CNCCOC1)c1cccc(O)c1O 2034726677 UEKFJJQBBPVZTC-QMMMGPOBSA-N 252.270 -0.184 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)cc1 2177947855 IHCDOHRQDIQMSW-HNXYORABSA-N 281.312 -0.507 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C2(CC2)C(=O)N1 2188554115 PQSUQDHKURGLJK-SSDOTTSWSA-N 277.280 -0.014 10 10 CBCE OC[C@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)C[C@H]1O 2234093077 QNPOKINMUZBVGX-RRFJBIMHSA-N 279.336 -0.039 10 10 CBCE CCCCN1C(=O)NC(=O)C(=CNCCN(C)C)C1=O 2296400385 YYNQRXYXFYUNIP-UHFFFAOYSA-N 282.344 -0.100 10 10 CBCE O=C(O)CN(CC(=O)O)C(=O)c1cc(O)nc(O)c1 104337761 UYKXLBFNVCVJAN-UHFFFAOYSA-N 270.197 -0.896 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@@H]2CO)cc1 698116409 QRAWMBAANBTKJO-FRRDWIJNSA-N 282.340 -0.564 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)C[C@H]2CO)cc1 698116420 QRAWMBAANBTKJO-YNEHKIRRSA-N 282.340 -0.564 10 10 CBCE CO[C@@](C)(CO)CNC(=O)c1cc(O)nc(O)c1 702538604 XFHWGESLBLOKHU-LLVKDONJSA-N 256.258 -0.380 10 10 CBCE O=C(c1cc(O)cs1)N1CC2(C[C@H](O)CNC2=O)C1 1124026347 AQXZNMRGMLYALF-QMMMGPOBSA-N 282.321 -0.223 10 10 CBCE O=C(C[C@@H]1CC(=O)NC1=O)NCc1cccc(O)c1O 1471642770 ZWZPGGUOAVSTDG-MRVPVSSYSA-N 278.264 -0.233 10 10 CBCE COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC 1566837381 LIGVNBASSSEZGM-VIFPVBQESA-N 283.280 -0.056 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N3CC(CO)C3)c2n1 2063753941 FWJVGZUPCRBTKN-UHFFFAOYSA-N 262.269 -0.192 10 10 CBCE Nc1ccc(CN2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)cc1 2080601372 NFMJRIIIMXQCOS-AXFHLTTASA-N 252.270 -0.741 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)cc1 2108798721 DTVWPULZGDKRNE-JLLWLGSASA-N 266.297 -0.352 10 10 CBCE N[C@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CO)ccc21 2136339840 MXHQAZNGNXEFLP-CRWXNKLISA-N 264.325 -0.465 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)ccc1O 2177942534 AHLHRHFKFDBDBP-VCLBQRBZSA-N 283.324 -0.149 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CNC[C@H]1F 2320520493 IGUYUPFYIWLBIF-HTQZYQBOSA-N 255.249 -0.125 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CS(=O)(=O)[C@@H]2C1 2336481110 WQUSQPLSGCOCAX-GZMMTYOYSA-N 283.305 -0.033 10 10 CBCE COC[C@H](O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 42526067 RDDFWYZZZXRSBU-MNOVXSKESA-N 298.339 -0.567 10 10 CBCE Nc1nnc([C@H](N)Cc2ccc(O)c(O)c2)n1N 150189592 AFVCCHMJZKWBOC-ZCFIWIBFSA-N 250.262 -0.772 10 10 CBCE CNS(=O)(=O)CCNCc1ccc(O)c(O)c1 227542663 XRTVOKBGSPPMQJ-UHFFFAOYSA-N 260.315 -0.263 10 10 CBCE O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 236561710 NUVHHXMWPUXVGU-YUMQZZPRSA-N 267.237 -0.242 10 10 CBCE O=C(CN1CCOCC1=O)NCc1ccccc1O 280413692 HKXGWEQYOLXYNH-UHFFFAOYSA-N 264.281 -0.133 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)C[C@H]2CO)cc1 704737164 QGYDRXROHGCHGK-NWDGAFQWSA-N 286.353 -0.474 10 10 CBCE CNS(=O)(=O)c1cc(NS(C)(=O)=O)ccc1O 790406027 AUHTZMRECHVCAL-UHFFFAOYSA-N 280.327 -0.328 10 10 CBCE COC1(C(=O)O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1917685718 YGRULDGJYDEQDD-UHFFFAOYSA-N 281.264 -0.048 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@]12CN[C@@H](CO1)C2 1971674798 VLRCOWWPXCVLGQ-QMTHXVAHSA-N 278.308 -0.113 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CNC[C@@H]2COC3)C1 2049781673 XPFYJDCEGHOHIH-VWMGYNLJSA-N 252.314 -0.512 10 10 CBCE NC(=O)[C@H]1CCN1C[C@@H](O)COc1ccc(N)cc1 2089358630 IINXZVIHDFXOLD-ZYHUDNBSSA-N 265.313 -0.432 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOC[C@H](CO)C1 2098244147 YFBAHJUNVDQZJC-QMMMGPOBSA-N 268.269 -0.426 10 10 CBCE COc1cccc(O)c1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2108826322 UWFVTLSSDYFGJW-MWKLQFHZSA-N 269.297 -0.655 10 10 CBCE COc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1O 2108833362 WCDDJTXEWABNFI-DTVLGXAZSA-N 269.297 -0.655 10 10 CBCE Nc1ccc(O)c(CNC(=O)c2ncc[nH]c2=O)c1 2110853816 BUTHIPRUOJZFLE-UHFFFAOYSA-N 260.253 -0.012 10 10 CBCE COCC[C@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2132348770 RVWCWHMWVJZYSV-MRVPVSSYSA-N 271.269 -0.069 10 10 CBCE CSc1ncc(CNC(=O)[C@@H]2NC[C@H](O)[C@@H]2O)s1 2256938385 UDVBIHRNJDBUFN-RNJXMRFFSA-N 289.382 -0.825 10 10 CBCE NC(=O)CN1CCCN(C(=O)Cc2ccc(N)cc2)CC1 37823669 VMVVYSGZLGBKJW-UHFFFAOYSA-N 290.367 -0.169 10 10 CBCE Nc1ccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cc1 71249416 MAAIRVSADFSCAC-NSHDSACASA-N 291.307 -0.387 10 10 CBCE CNC(=O)[C@H]1COCCN1C(=O)COc1ccc(N)cc1 159183695 MCIUVOVMNACZOA-GFCCVEGCSA-N 293.323 -0.379 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)Cc2cc(O)nc(O)n2)C1 1912171428 KGVAMSCMZIKVET-UHFFFAOYSA-N 250.218 -0.049 10 10 CBCE [N-]=[N+]=NCC1(CNS(=O)(=O)N2CC(O)C2)CC1 2006018738 OGRSZDBNDMHDLU-UHFFFAOYSA-N 261.307 -0.412 10 10 CBCE NC(=O)CS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2029189026 UTDSRHIBYQYTNQ-UHFFFAOYSA-N 273.266 -0.819 10 10 CBCE NC(=O)C(F)(F)CNC(=O)c1ccc(O)c(O)c1 2029283119 KFXJFTZPQRHDFG-UHFFFAOYSA-N 260.196 -0.052 10 10 CBCE N[C@H]1COC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2091748989 UYYPESXZHZLQDG-ZJUUUORDSA-N 266.297 -0.270 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)cc1 2108824073 CQAKDAOECGKKMO-YTWAJWBKSA-N 267.285 -0.755 10 10 CBCE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)C(=O)O 2176874594 JOBATPZHMSZJSK-NSHDSACASA-N 283.280 -0.019 10 10 CBCE CN(C)CCCNC=C1C(=O)NC(=S)N(C)C1=O 2297510193 DWCHVJSHMMPOGK-UHFFFAOYSA-N 270.358 -0.715 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@@H]1NCCc2c1ccc(O)c2O 75794193 UGJFIUOEXNAXFG-IEBDPFPHSA-N 269.253 -0.909 10 10 CBCE Nc1ccc(NC(=O)CN2CCOC[C@H]2CO)cc1 167973329 NYMLASVFIXPVDF-GFCCVEGCSA-N 265.313 -0.100 10 10 CBCE CNS(=O)(=O)CCNC(=O)Cc1ccc(N)cc1 230977498 WBNAXRSBGGXEFR-UHFFFAOYSA-N 271.342 -0.523 10 10 CBCE [N-]=[N+]=NC1CN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1912202031 AROBHAWONXYTFP-SSDOTTSWSA-N 273.318 -0.716 10 10 CBCE [N-]=[N+]=NC1CN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 1912202032 AROBHAWONXYTFP-ZETCQYMHSA-N 273.318 -0.716 10 10 CBCE Cn1cc(C(=O)NCCCN=[N+]=[N-])c(=O)n(C)c1=O 1963699712 RMPPOSFWRGRVJC-UHFFFAOYSA-N 266.261 -0.486 10 10 CBCE C[C@@](CS(C)(=O)=O)(NCCCN=[N+]=[N-])C(N)=O 2003947012 RADRTJCOQYMIAO-QMMMGPOBSA-N 263.323 -0.435 10 10 CBCE CCS(=O)(=O)CCn1ccc2c(c1=O)CNCC2 2033379956 VWSJFULMLDMXSK-UHFFFAOYSA-N 270.354 -0.071 10 10 CBCE Nc1ccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)cc1 2057792050 MLRGETSUHKPHKO-FOUMNBMASA-N 252.314 -0.539 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@@H]1CO 2101297955 IRBGHYGYTRYBIB-UTLUCORTSA-N 266.297 -0.535 10 10 CBCE COC[C@@](O)(CO)CNCc1ccc(OC)cc1O 2102398996 JMRQLSMKVUFNGO-ZDUSSCGKSA-N 271.313 -0.140 10 10 CBCE O=C(O)CN1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2169328074 USYLVZOXTFYGEK-SECBINFHSA-N 280.280 -0.014 10 10 CBCE CNCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(F)c1 2183630845 FMHDOGLEQXDNJY-QWHCGFSZSA-N 282.315 -0.144 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(C)c1 2332923229 OIDMQJDOLFCBFS-MCIONIFRSA-N 266.341 -0.383 10 10 CBCE C[C@@H](CN)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 54343331 ZNCZAMWQCKWMSE-CBAPKCEASA-N 282.296 -0.196 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@H]1NCCc2ccc(O)c(O)c21 83724769 VFGZJNAUMKKKCK-GDPRMGEGSA-N 269.253 -0.909 10 10 CBCE O=C(N[C@H](CCO)C(=O)O)c1cccc(O)c1O 126007659 TZQCTQHCSPUSNB-SSDOTTSWSA-N 255.226 -0.337 10 10 CBCE NC(=O)CC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 236165920 AHXHATWQJGXPLM-ZETCQYMHSA-N 282.252 -0.454 10 10 CBCE Nc1ccc(NC(=O)CCN2C[C@@H](O)[C@H](CO)C2)cc1 316334838 DAIUVFYSRHECKJ-GXFFZTMASA-N 279.340 -0.118 10 10 CBCE N[C@@H]1CCOC[C@H]1NC(=O)c1cccc(O)c1O 710980478 DPPPMXWEAAWPNO-RKDXNWHRSA-N 252.270 -0.056 10 10 CBCE O=C(CN1CCC1(CO)CO)c1ccc(O)c(O)c1 1880239033 DHAINTWRCXPZPP-UHFFFAOYSA-N 267.281 -0.290 10 10 CBCE [N-]=[N+]=NC[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1912144454 TURCFXOILUJXTO-RQJHMYQMSA-N 266.261 -0.257 10 10 CBCE O=c1c2c(ccn1C[C@H]1C[C@@H](CO)CO1)CCNC2 2099393001 UMBULUOILQYYII-CMPLNLGQSA-N 264.325 -0.109 10 10 CBCE Cc1ccc(CN2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)c(O)c1 2139756696 YBHZOZOPBILKMQ-QJPTWQEYSA-N 267.281 -0.309 10 10 CBCE CN(C(=O)CN1C[C@H](O)C[C@@H](O)C1)c1ccc(N)cc1 2161398113 XUXVFODQXFZXGU-CHWSQXEVSA-N 279.340 -0.341 10 10 CBCE O=C(NCC[C@]1(O)CCNC1)c1cccc(O)c1O 2230135095 ALTMMAOOBSZXMW-CYBMUJFWSA-N 266.297 -0.058 10 10 CBCE NCc1cn(CCNC(=O)Cc2ccc(N)cc2)nn1 2287092856 YPKKQEOHJGZPFM-UHFFFAOYSA-N 274.328 -0.322 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@@H]1[C@H](O)[C@@H](O)C2 2357024388 FVQKKADVEZXAOT-NHRVJRKFSA-N 280.280 -0.409 10 10 CBCE COc1ccc(O)c(CNC(=O)[C@H](N)[C@H](C)O)c1 83398206 SDGRVHCRPFQGEV-WRWORJQWSA-N 254.286 -0.275 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCO[C@H](CO)C2)cc1 167742298 VIOGGGBJMBOECH-LBPRGKRZSA-N 286.353 -0.208 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCC[C@@](O)(CO)C3)ccc21 314061373 XDWWWPVGZRXIBH-OCCSQVGLSA-N 277.324 -0.038 10 10 CBCE Nc1ccc(NC(=O)CN(CCO)CCCO)cc1 385339024 FURZRSNIVIWYQZ-UHFFFAOYSA-N 267.329 -0.116 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@]2(CO)CCOC2)cc1 393893478 BFJFVKJLRPMDSK-GFCCVEGCSA-N 286.353 -0.160 10 10 CBCE [N-]=[N+]=NCCCNC(=O)Cn1ccc(O)nc1=O 701302954 JSLAIKGYDJBIEZ-UHFFFAOYSA-N 252.234 -0.235 10 10 CBCE NC(=O)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1544363964 ZDLWODKFOLCMNK-LLVKDONJSA-N 280.280 -0.647 10 10 CBCE NC(=O)C1=NO[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1633157520 FLERUAOQOYDDAV-QMMMGPOBSA-N 293.279 -0.613 10 10 CBCE COc1cccc(O)c1CN[C@@H]1CC(=O)NC1=O 2042581833 VYEITFXYYIRTIN-MRVPVSSYSA-N 250.254 -0.095 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CNC[C@H]2O)cc1 2071660857 UWGAJIIOVRGTMK-WDEREUQCSA-N 271.342 -0.979 10 10 CBCE O=C1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)N1 2096083111 ZATJAQIOMTXLJE-ZETCQYMHSA-N 264.237 -0.828 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc21 2183269329 DKKQSCAKCAMBGY-GIPNMCIBSA-N 277.324 -0.169 10 10 CBCE O=C1C[C@@H](C(=O)O)N(C(=O)c2cc(O)c(O)c(O)c2)N1 2188868458 RLNYCXBTRSGJNP-YFKPBYRVSA-N 282.208 -0.866 10 10 CBCE Oc1ccc(-c2noc([C@@H]3NC[C@H](O)[C@H]3O)n2)cc1O 2200872267 HKKVABAXIIMKQM-IVZWLZJFSA-N 279.252 -0.486 10 10 CBCE OC[C@@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)C[C@H]1O 2234093079 QNPOKINMUZBVGX-ZNMIVQPWSA-N 279.336 -0.039 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(C)c1 2289486901 BKOSHKAPNPLUKG-QEJZJMRPSA-N 280.368 -0.135 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2354478167 HUGHZEOLYAQBQH-AWRWRYAPSA-N 279.292 -0.407 10 10 CBCE Cn1ncnc1CN(CC(N)=O)Cc1ccc(N)cc1 88580305 SWTBIZTWEKFRCA-UHFFFAOYSA-N 274.328 -0.115 10 10 CBCE COCCNS(=O)(=O)NCCc1ccc(N)cc1 128356134 VIEFGJCYYNAKRO-UHFFFAOYSA-N 273.358 -0.118 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(O)nc2=O)[C@H](F)[C@@H]1O 261508446 SNWCOSVWPQSOEU-JVZYCSMKSA-N 287.207 -0.824 10 10 CBCE C[C@H](NC(C(N)=O)C(N)=O)c1cc(F)ccc1O 695356162 WRDVIJOKANJSJG-YFKPBYRVSA-N 255.249 -0.479 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H](O)C[C@H]3CO)cc21 698137851 MIBVSIUILVAFMY-OUJBWJOFSA-N 278.308 -0.372 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@@H]1COC[C@H]1O 708620818 VZXJOUKLHAXAQW-IJLUTSLNSA-N 264.281 -0.132 10 10 CBCE Cc1ccc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c(O)c1O 1171680873 QYPXKNSIQPDBCR-ZJUUUORDSA-N 267.281 -0.026 10 10 CBCE N[C@H]1COC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2032625415 TYJRGUOEUYJAEE-DTWKUNHWSA-N 252.270 -0.517 10 10 CBCE O=C(C[C@H]1CNC[C@@H]1O)NCc1ccccc1O 2054021973 JUHCWFGDWAVISV-JQWIXIFHSA-N 250.298 -0.021 10 10 CBCE O=C(C[C@@H]1CNC[C@@H]1O)NCc1ccccc1O 2054021974 JUHCWFGDWAVISV-PWSUYJOCSA-N 250.298 -0.021 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1COC[C@@H]1O 2087722149 HQTBWHQZDPCKDG-CABZTGNLSA-N 267.281 -0.142 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@H](CO)C1 2132349139 ZHNHCIVNRWAFAP-QMMMGPOBSA-N 269.253 -0.363 10 10 CBCE COc1cc(N2CC(OCC(N)=O)C2)ccc1CO 2139699665 YTBLGJGJSGELFH-UHFFFAOYSA-N 266.297 -0.122 10 10 CBCE CN1C[C@@H](C(=O)O)N(Cc2ccc(O)c(O)c2)CC1=O 2143808515 RTQGKUFTUSGPRM-VIFPVBQESA-N 280.280 -0.175 10 10 CBCE CN1C[C@H](O)[C@H](NC(=O)CCOc2ccc(N)cc2)C1 2146513571 KEJIRPPYTDMVKB-OLZOCXBDSA-N 279.340 -0.171 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]21 2176420200 ZGNCMNGNKPBHKI-RBJBARPLSA-N 278.308 -0.129 10 10 CBCE Cn1[nH]c(CN)nc1=NC(=O)c1cc(O)c(O)c(O)c1 2188913687 USKHPNQFANSAMB-UHFFFAOYSA-N 279.256 -0.935 10 10 CBCE N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188921052 ANWBBFULBNNJDO-HRDYMLBCSA-N 282.296 -0.369 10 10 CBCE N=c1nnc(OC[C@H]2CNC[C@H]2C(F)(F)F)n[nH]1 2219017563 NJWHIEVXFYRPBD-RFZPGFLSSA-N 264.211 -0.544 10 10 CBCE O=C(N[C@@H]1CCC[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 2232550919 ZWQFPESCKBKRJO-VHSKPIJISA-N 283.280 -0.193 10 10 CBCE NC(=O)CN1CCC(NC(=O)Cc2ccc(N)cc2)CC1 37042280 IWAXVGSHRQPRQS-UHFFFAOYSA-N 290.367 -0.123 10 10 CBCE Nc1ccc(OCCC(=O)N2CCNC(=O)C2)cc1 40292785 VOUQTHXMXMXIOO-UHFFFAOYSA-N 263.297 -0.004 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1C(=O)O)c1cccc(O)c1O 126053606 GVEWRUPFQKOTFZ-JGVFFNPUSA-N 267.237 -0.073 10 10 CBCE COCCNS(=O)(=O)NCc1ccccc1O 128817490 ONPFFTXQTZPKOW-UHFFFAOYSA-N 260.315 -0.037 10 10 CBCE COCC[C@H](CO)NC(=O)c1cc(O)nc(O)c1 302248791 BMTOVUQIXVYCBF-MRVPVSSYSA-N 256.258 -0.380 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CC(=O)N2CCC[C@H]21 305987622 NQQMAWASRCSMPK-XVKPBYJWSA-N 252.278 -0.495 10 10 CBCE OCC1(CNCc2ccc(O)c(O)c2O)COC1 717574081 JXGWFTNFSWRGIR-UHFFFAOYSA-N 255.270 -0.098 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNC[C@@H](O)C2)cc1 1876535067 LKXIYBAKOQKESB-GFCCVEGCSA-N 285.369 -0.635 10 10 CBCE O=C(N[C@H]1CCOC[C@H]1CO)c1cc(O)nc(O)c1 1878696209 OVUZSCUVGAHQAG-BDAKNGLRSA-N 268.269 -0.380 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN(CC(CO)(CO)CO)C1 2059269221 HTWHRIXPKJWGBR-JTQLQIEISA-N 258.322 -0.028 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2081010357 VJIOTECPNMTINN-WOPDTQHZSA-N 272.732 -0.299 10 10 CBCE CN(CC(CO)CO)c1ccc2c(c1)NC(=O)[C@H]2N 2094031097 QZOZVBUEVGBQFA-LBPRGKRZSA-N 265.313 -0.325 10 10 CBCE CN(C[C@@H]1COCCN1)C(=O)c1cc(O)nc(O)c1 2104236046 CAMPCOVMLJVIFN-SECBINFHSA-N 267.285 -0.447 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)C1COC1 2119980729 SRSCRFMNMJFOIP-UHFFFAOYSA-N 263.297 -0.271 10 10 CBCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(=O)O 2120348608 YWZAKAUBRRZVOU-KBUNVGBDSA-N 269.253 -0.410 10 10 CBCE O=C(N[C@H]1COCC[C@H]1O)c1cc(O)c(O)c(O)c1 2132351603 YQOSNAGGCKQHIG-JGVFFNPUSA-N 269.253 -0.317 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@H]3COC[C@H]32)cc1 2158407761 FNLMTCCWSXHFJM-XQQFMLRXSA-N 277.324 -0.101 10 10 CBCE Nc1ccc(NC(=O)NC[C@@H]2NC[C@@H](O)[C@H]2O)cc1 2225621860 GJZNABVPALUGMO-AXFHLTTASA-N 266.301 -0.916 10 10 CBCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@H](O)[C@H]1CO 2232028807 QSTXXHLHNVGECQ-GSVCSZOMSA-N 266.341 -0.083 10 10 CBCE Nc1ccc(OCCN2CC[C@](O)(CO)[C@@H](O)C2)cc1 2234100918 NQCUTIFEVZCGRP-KBPBESRZSA-N 282.340 -0.562 10 10 CBCE Nc1ccc(CCN2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2273711162 VNAQVPMGVJMTLC-KWCYVHTRSA-N 266.341 -0.543 10 10 CBCE COCCNC(=O)CN(C)CC(=O)Nc1ccc(N)cc1 42427234 YDJTXFRVUYVVNU-UHFFFAOYSA-N 294.355 -0.098 10 10 CBCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)c1cn(CCO)nn1 90637915 BGLYWFOCABNTJU-MRVPVSSYSA-N 269.265 -0.314 10 10 CBCE COc1ccc(N2CCOC[C@H]2C(N)=O)c(N)c1 129224700 VQJSYSBTBRSBLY-NSHDSACASA-N 251.286 -0.032 10 10 CBCE Cn1cnn(CC(=O)N2Cc3cccc(O)c3C2)c1=O 871203650 PEGKPCLFHDVMHG-UHFFFAOYSA-N 274.280 -0.170 10 10 CBCE CONC(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1 1598521371 PRXRWRFFQLVRLM-HWKANZROSA-N 266.253 -0.095 10 10 CBCE C[C@@H](Oc1ccc(N)cc1)C(=O)N[C@H](CO)C(=O)O 1860082962 ZKDLLUHBSSMBBV-GMSGAONNSA-N 268.269 -0.402 10 10 CBCE O=C1C[C@@H](c2cccc(O)c2O)[C@H](C(=O)O)C(=O)N1 1951726713 XMNLIVTXCFEUJJ-RCOVLWMOSA-N 265.221 -0.071 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCNC[C@H]1O 2087724438 HHWOEYKITKTTAX-JOYOIKCWSA-N 266.297 -0.521 10 10 CBCE COC1(CO)CN(CC(=O)c2ccc(O)c(O)c2)C1 2101062004 KBQWNZBLRYEXJZ-UHFFFAOYSA-N 267.281 -0.026 10 10 CBCE NCCC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2103266156 RWNAUOFUHIEDIQ-SSDOTTSWSA-N 269.257 -0.585 10 10 CBCE CNC1(C(N)=O)CN([C@H](C)c2cc(O)ccc2O)C1 2109490271 BJRFXBHYIBJIPO-MRVPVSSYSA-N 265.313 -0.082 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2NCC[C@@H](O)[C@H]2O)c1O 2204622006 OLCNMNNCXUPDCR-NQBHXWOUSA-N 280.324 -0.599 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)c(F)c1F 2234074135 LYJBXESVFKOIED-GBIKHYSHSA-N 288.294 -0.020 10 10 CBCE O=C1c2ccccc2C(=O)[C@H]2NCCS(=O)(=O)[C@H]12 105656874 AMLSULXNBKGZFV-SKDRFNHKSA-N 265.290 -0.179 10 10 CBCE Nc1ccc(CC(=O)NCCc2nc(=O)o[nH]2)cc1 392270291 BSNRJCHMJMDEFA-UHFFFAOYSA-N 262.269 -0.154 10 10 CBCE CN1CC[C@@](O)(CNC(=O)Cc2ccc(N)cc2)C1 702579528 NYGZNQVGGYUXKP-CQSZACIVSA-N 263.341 -0.006 10 10 CBCE O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc(O)c(O)c1 706743612 LGERCFXDBDZCIU-KCJUWKMLSA-N 253.254 -0.023 10 10 CBCE NCCC1(O)CCN(C(=O)c2cc(O)nc(O)c2)CC1 717984820 NITAVOUCQVJYFH-UHFFFAOYSA-N 281.312 -0.191 10 10 CBCE C[C@H](N)c1ccc(N(CC(N)=O)CC(N)=O)cc1 723162825 ADLAGIZRFYAVEO-QMMMGPOBSA-N 250.302 -0.517 10 10 CBCE COc1cccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)c1O 895687044 NKNWJXVSZXEOAS-NXEZZACHSA-N 287.337 -0.352 10 10 CBCE CN(CCN=[N+]=[N-])S(=O)(=O)CS(C)(=O)=O 1912176219 WIYVCZJGGDEIHA-UHFFFAOYSA-N 256.309 -0.440 10 10 CBCE CCOc1cccc(CNCC(O)(CO)CO)c1O 1913786107 HEBFYFHQYUQFER-UHFFFAOYSA-N 271.313 -0.404 10 10 CBCE O=[N+]([O-])c1cccc([C@@H]2CS(=O)(=O)NCCN2)c1O 1952451023 OEXKZFFLFKJCAY-QMMMGPOBSA-N 287.297 -0.136 10 10 CBCE Cc1cc(N2CC3(C2)OC[C@H](O)[C@H]3O)ccc1CN 2127250713 JRFIHECVWSKTAF-QWHCGFSZSA-N 264.325 -0.235 10 10 CBCE CNCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2127256819 DRQQVIPBLRBGQB-CHWSQXEVSA-N 264.325 -0.283 10 10 CBCE C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)S(N)(=O)=O 2132351181 VADRJUOVXBNBBF-YFKPBYRVSA-N 290.297 -0.790 10 10 CBCE NC[C@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]1CCO2 2175177194 RMJQMBNHRLBCOC-ZANVPECISA-N 279.296 -0.317 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(F)c1F 2184135421 IDXGULNEJPJQQS-JTQLQIEISA-N 284.266 -0.786 10 10 CBCE C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)c1nn[nH]n1 2188874342 GHKQHKQDBNOKSA-YFKPBYRVSA-N 279.256 -0.150 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2C[C@H]1[C@H](O)[C@H]2O 2199432869 AHUOOKKBSWYJTF-APYZPAHBSA-N 280.280 -0.551 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@@H](O)[C@H]1CF 2205598762 GVZOWXUIDQEEBY-WLTAIBSBSA-N 285.271 -0.458 10 10 CBCE Nc1ccc(OCC(=O)NC(=O)CN2CCCC2=O)cc1 38055673 FFDOPKDQCSYQEV-UHFFFAOYSA-N 291.307 -0.087 10 10 CBCE NS(=O)(=O)CCCNCc1cccc(O)c1O 45070424 PCYDVXGENFKDMO-UHFFFAOYSA-N 260.315 -0.134 10 10 CBCE O=CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 243244736 KORPGZYKMQJGLP-UHFFFAOYSA-N 264.281 -0.059 10 10 CBCE COCC[C@@H](CO)NC(=O)c1cc(O)nc(O)c1 302248796 BMTOVUQIXVYCBF-QMMMGPOBSA-N 256.258 -0.380 10 10 CBCE Nc1ccc(OCCN2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 386987480 ODJBXECIQDUSIG-TXEJJXNPSA-N 275.308 -0.148 10 10 CBCE O=C(N[C@]1(CO)CCOC1)c1cccc(O)c1O 393878725 IQGLIKLYAPCSNP-LBPRGKRZSA-N 253.254 -0.021 10 10 CBCE O=C(CN1CCC(=O)NC1=O)NCc1cc(O)ccc1O 1637126434 YOGQBYDNVNUCRS-UHFFFAOYSA-N 293.279 -0.344 10 10 CBCE CN1CCN[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1971622566 OPWGCVGXZXGUGR-LLVKDONJSA-N 279.340 -0.340 10 10 CBCE O=C(NC1(CO)CC(O)C1)c1cc(O)nc(O)c1 2073622826 UKNFXRVZHQYPGS-UHFFFAOYSA-N 254.242 -0.892 10 10 CBCE C[C@](O)(CCO)CNS(=O)(=O)Cc1ccc(N)cc1 2107438575 MZSCFBXUFRWBLK-LBPRGKRZSA-N 288.369 -0.178 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1Cl 2127702781 VBTXSGYBOJOQBE-SNVBAGLBSA-N 282.731 -0.411 10 10 CBCE O=C(NC1(CO)CCNCC1)c1ccc(O)c(O)c1 2133571437 QHAHHWKVLOELDR-UHFFFAOYSA-N 266.297 -0.058 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H]2CNC[C@H]21 2144030614 QEZXFRNPGIRUBE-MFKMUULPSA-N 278.308 -0.161 10 10 CBCE NC(=O)COC1CN(CC(=O)c2ccc(O)c(O)c2)C1 2145379015 GLPBWJFTPQLHAK-UHFFFAOYSA-N 280.280 -0.533 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(O)CCCNC1 2157519415 SSRYPWJJIOETIQ-CQSZACIVSA-N 280.324 -0.129 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@@H]4COC[C@@H]43)ccc2[C@H]1O 2158390922 AAPSRHAFXHFAHT-LPTSXCQYSA-N 276.292 -0.132 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](O)C[C@@H]2CO)cc1 2200833022 NYOBVKVIFWRPNW-NEPJUHHUSA-N 280.324 -0.008 10 10 CBCE CNCc1ccc(N2CC[C@](O)(C(N)=O)C2)cc1OC 2204557055 LEHOPBTUJDZJMP-CQSZACIVSA-N 279.340 -0.159 10 10 CBCE COc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)ccc1CN 2234097736 WCHLATVMPUKWFQ-KBPBESRZSA-N 282.340 -0.552 10 10 CBCE O=C(NC[C@@]12CNC[C@H]1CCO2)c1cc(O)nc(O)c1 2237809652 BTWLHXQVWJPFJZ-RNCFNFMXSA-N 279.296 -0.399 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(CN)c1 2289404211 LTUITHKAUXAGMH-DDTOSNHZSA-N 282.340 -0.696 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1 2289487287 FFWDZHMUMGIJNF-DURYJLSESA-N 284.331 -0.004 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(O)CCC1 127521722 VXGRCJXSLYLLFP-JTQLQIEISA-N 280.324 -0.001 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]1C(=O)O 384789546 RSZMJJFBPXIVIL-IUCAKERBSA-N 280.280 -0.347 10 10 CBCE Cn1nnnc1CCNC(=O)c1cccc(O)c1O 790912073 MVRRLTPHDUSTBL-UHFFFAOYSA-N 263.257 -0.406 10 10 CBCE O=C(NC[C@]1(OCCO)CCOC1)c1cccc(O)c1O 855409455 RYELOHMZNFPBNV-CQSZACIVSA-N 297.307 -0.004 10 10 CBCE CN(C)C(=O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 1148584288 RBWZLOWMPIFFER-UHFFFAOYSA-N 268.269 -0.036 10 10 CBCE NC(=O)[C@@H]1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)O1 1294932522 LYBHKFNLRYRRBD-CABZTGNLSA-N 294.307 -0.211 10 10 CBCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C1(O)CNC1 1876458796 HPLXCCFLYYJWEP-SECBINFHSA-N 285.369 -0.589 10 10 CBCE COc1cccc(O)c1[C@@H]1CS(=O)(=O)NCCN1 1952460598 XTPDYGCGGQOJBK-QMMMGPOBSA-N 272.326 -0.036 10 10 CBCE CCOC[C@H](O)Cn1ccc2c(c1=O)CNCC2 2038044101 JMHXNAZUNXQLIP-LLVKDONJSA-N 252.314 -0.109 10 10 CBCE N[C@H](CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2088536310 GYMBLFJLAGUEPP-MRVPVSSYSA-N 268.269 -0.442 10 10 CBCE CCOC1(CO)CN(C(=O)c2cc(O)nc(O)c2)C1 2116371324 YLSPORIWNBOQEI-UHFFFAOYSA-N 268.269 -0.284 10 10 CBCE Cn1nncc1S(=O)(=O)NCCc1ccc(O)c(O)c1 2147990070 AHQPZCYXCBWIRP-UHFFFAOYSA-N 298.324 -0.253 10 10 CBCE O=C(Cn1ccc2c(c1=O)CNCC2)N1CCOCC1 2150801133 RHAUOGHLCKLBKI-UHFFFAOYSA-N 277.324 -0.647 10 10 CBCE COCC1(C(=O)NCCc2ccc(O)c(O)c2)CNC1 2169247030 LYUYXAGZLNOLKJ-UHFFFAOYSA-N 280.324 -0.008 10 10 CBCE NC[C@@]1(O)CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188919457 NAXKTFITBNVUFB-ZDUSSCGKSA-N 282.296 -0.271 10 10 CBCE CN(C(=O)CN1CCC1(CO)CO)c1ccc(N)cc1 2194352145 IYYSXLBCKQTCTG-UHFFFAOYSA-N 279.340 -0.339 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)OCCCO2 2235131669 NBSBGYDFZMALER-JTNHKYCSSA-N 281.308 -0.249 10 10 CBCE O=C1NN(c2nn[nH]n2)C(=O)C1=Cc1ccccc1 2297576728 VDVCBIIEVBIPCL-UHFFFAOYSA-N 256.225 -0.339 10 10 CBCE CS(=O)(=O)C[C@@H](N)C(=O)NCc1ccccc1O 2313846358 WUBWEDFTBTYVIB-SECBINFHSA-N 272.326 -0.620 10 10 CBCE O=C(c1nn[nH]n1)N1CCc2cc(O)c(O)cc2C1 2341153690 CKJVDDHBOREFQS-UHFFFAOYSA-N 261.241 -0.191 10 10 CBCE COCC(=O)N(CC(N)=O)Cc1ccc(N)cc1 48631472 QCIPLTNUSITIAD-UHFFFAOYSA-N 251.286 -0.271 10 10 CBCE C[C@H]1C(=O)NCCN1C[C@@H](O)COc1ccc(N)cc1 216384768 PEFTZEQGGZJDEP-CMPLNLGQSA-N 279.340 -0.171 10 10 CBCE CS(=O)(=O)NCCCNCc1ccc(O)c(O)c1O 230977257 MAQAFUUJXDNGLF-UHFFFAOYSA-N 290.341 -0.168 10 10 CBCE C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C[C@H]1O 388136098 ZRMGSNGXCPGEBT-DFAYQTQMSA-N 280.324 -0.193 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H](CO)[C@H]1CO 709876220 UCUOHNLDNBAFKS-WCBMZHEXSA-N 282.296 -0.302 10 10 CBCE CN(CCS(N)(=O)=O)C(=O)c1cccc(O)c1O 719713492 IWUWPYJPFLWYJG-UHFFFAOYSA-N 274.298 -0.542 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(CN)cc1 720539077 DJPJICFCGJMATB-UHFFFAOYSA-N 264.329 -0.556 10 10 CBCE O=C(CO)NCCC(=O)N1Cc2cccc(O)c2C1 913726788 XHJWQZGTTBOCON-UHFFFAOYSA-N 264.281 -0.267 10 10 CBCE NC(=O)NC1(C(=O)NCc2cc(O)ccc2O)CC1 1593873211 LNGMOOMHIJVEIP-UHFFFAOYSA-N 265.269 -0.085 10 10 CBCE CCN(CCN=[N+]=[N-])S(=O)(=O)CS(C)(=O)=O 1900606740 GUYZWIAZAHBPPP-UHFFFAOYSA-N 270.336 -0.050 10 10 CBCE CN1C[C@H](NC(=O)COc2ccc(N)cc2)[C@H](O)C1 2090333176 GQNFQWGYQYYHFJ-NWDGAFQWSA-N 265.313 -0.561 10 10 CBCE NCCC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2103249173 RWNAUOFUHIEDIQ-ZETCQYMHSA-N 269.257 -0.585 10 10 CBCE O=C(NC[C@H]1COC[C@H]1O)c1cc(O)c(O)c(O)c1 2132348165 FSDQEOQIEFLADW-OIBJUYFYSA-N 269.253 -0.460 10 10 CBCE CN(C)[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1O 2146163129 WWTVYRNFMDIIMC-QWHCGFSZSA-N 279.340 -0.219 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O 2182528604 DKIHCIDWLUCJOD-ZTCHHREXSA-N 279.292 -0.089 10 10 CBCE Cc1cccc(CNC(=O)[C@]2(N)CCS(=O)(=O)C2)c1O 2204608506 FJUVGWTWTOYQIX-ZDUSSCGKSA-N 298.364 -0.167 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@H](N=[N+]=[N-])C1 2236145932 BKUJUDMBZOHSFL-IUCAKERBSA-N 282.304 -0.332 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(CO)c1 2333715299 NBTYHUVVAKQUID-XQQFMLRXSA-N 269.297 -0.910 10 10 CBCE NC(=O)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 40472616 OVJZFEJICIUQIH-SECBINFHSA-N 265.269 -0.744 10 10 CBCE COc1cc(O)c(CNC[C@@H](O)CO)c(OC)c1 83419820 JSJOJNFXIBKGJT-MRVPVSSYSA-N 257.286 -0.148 10 10 CBCE CN(C)C(=O)[C@H]1CNCCN1Cc1ccc(O)cc1O 89083608 WRWWEVOHRQLGFX-GFCCVEGCSA-N 279.340 -0.040 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NN1CCC1 686773420 STHOJZLLFIKOFE-VIFPVBQESA-N 251.286 -0.296 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)[C@H]1COC[C@H]1O 709383702 KOSAJIXDDFQXBV-NWDGAFQWSA-N 265.313 -0.101 10 10 CBCE CNC(=O)CN(CCc1ccc(N)cc1)CC(=O)NC 720552711 XYOSYWFXLKQDOU-UHFFFAOYSA-N 278.356 -0.395 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCOC[C@@H]2N)cc1 1876444062 XOOOTPGRQZPQKU-RYUDHWBXSA-N 265.313 -0.120 10 10 CBCE COc1ccc(O)c([C@H](C)NCC(O)(CO)CO)c1 1913786582 NXXRMLMNNWVTSK-VIFPVBQESA-N 271.313 -0.233 10 10 CBCE COC[C@H](NC(=O)Nc1ccc(N)cc1)C(N)=O 2034938862 FKZRXJJUAUODIF-VIFPVBQESA-N 252.274 -0.109 10 10 CBCE C[C@@H](CS(N)(=O)=O)NC(=O)[C@H]1CNc2ccccc2N1 2152961851 SBGKEJDDPYSUCQ-GZMMTYOYSA-N 298.368 -0.314 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@@]2(CCOC2)C1 2154532494 SGUOCNZSOHWSKZ-ZANVPECISA-N 279.296 -0.175 10 10 CBCE OC[C@@H]1C[C@H](NCc2cc(F)cc(F)c2O)[C@@H](O)[C@H]1O 2177949522 SANKKJBXINLKEE-CETXONJKSA-N 289.278 -0.137 10 10 CBCE O=C(O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 2180073737 MEWJEIAHSULPGJ-SFYZADRCSA-N 282.252 -0.600 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CCC[C@@H]2O 2184690974 IYRUHBLFODUYKG-LBPRGKRZSA-N 277.324 -0.167 10 10 CBCE N[C@H]1CCc2cc(N3CC4(C3)OC[C@@H](O)[C@H]4O)ccc21 2184736273 RFCAKMYYTBPQQM-BFHYXJOUSA-N 276.336 -0.057 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@H](N)[C@H](O)C2)cc1 2191635412 QPHSPXJQYCSGAK-KGYLQXTDSA-N 299.396 -0.214 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)CC23CNC3)cc1 2191660603 XUABSBYHDLCSLF-LLVKDONJSA-N 277.324 -0.417 10 10 CBCE OC[C@@]1(O)CCN(c2ccc3c(c2)CCO3)C[C@H]1O 2226749910 UGTBPEZIDODLFO-KGLIPLIRSA-N 265.309 -0.084 10 10 CBCE CN(C)CCCN(CCN)C(=O)c1cc(O)nc(O)c1 2280552575 FIOYKSCDTKPLLX-UHFFFAOYSA-N 282.344 -0.155 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@H](O)CC3)ccc21 2284540287 AHMBQPFIRSUOCJ-XQQFMLRXSA-N 277.324 -0.040 10 10 CBCE O=C1c2ccccc2C(=O)[C@H]2[C@@H]1NCCS2(=O)=O 82317302 AMLSULXNBKGZFV-BXKDBHETSA-N 265.290 -0.179 10 10 CBCE CN(CCc1ccncc1)C(=O)C[C@H]1C(=O)NN(C)C1=O 169995767 GRNYAPXZHDAOJH-NSHDSACASA-N 290.323 -0.408 10 10 CBCE NC(=O)c1noc([C@H](N)Cc2ccc(O)c(O)c2)n1 227229967 NKKBGSNQZHOTBA-ZCFIWIBFSA-N 264.241 -0.178 10 10 CBCE NC(=O)CN(CC(=O)O)C(=O)c1cccc(O)c1O 230826235 GVUUKRDMJDNOGO-UHFFFAOYSA-N 268.225 -0.890 10 10 CBCE CN1CCc2cc(CNC(CO)(CO)CO)ccc21 234392305 VWVWPWJEMDLVJS-UHFFFAOYSA-N 266.341 -0.516 10 10 CBCE C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(O)cc1O 1162278991 PWYZRAFJCNVFRL-SSDOTTSWSA-N 288.325 -0.348 10 10 CBCE Cc1ccc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c(O)c1 1665359651 OPELKARCVAEBHL-QWRGUYRKSA-N 277.324 -0.281 10 10 CBCE C[C@@H](NC(=O)CCN1C(=O)CSC1=S)C(=O)O 1865765028 MPCIEXJUTLHLQK-RXMQYKEDSA-N 276.339 -0.174 10 10 CBCE CN(C)c1ccc(C=CC(=O)NC[C@@H](O)C(N)=O)cc1 1912093935 CKUXEOVXRUXJKN-GFCCVEGCSA-N 277.324 -0.272 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C(N)[C@@H]3C2)cc1 2071737774 GOIKLEBDNUHFDP-GHMZBOCLSA-N 267.354 -0.013 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2136336361 LZCVVIWFPNHQEW-KOCKLMIUSA-N 270.304 -0.252 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC4(CNC(=O)C4)C3)ccc21 2176158097 NSZGVVQRUZMERJ-LBPRGKRZSA-N 272.308 -0.035 10 10 CBCE NCc1ccc(N2CC([C@H]3NC(=O)NC3=O)C2)cc1F 2184960809 UIFNGPQKCOWUNK-LLVKDONJSA-N 278.287 -0.071 10 10 CBCE O=C(N[C@@H]1CCO[C@@H](C(=O)O)C1)c1cc(O)nc(O)c1 2194366932 TUSYBIZIDMGWDL-HTQZYQBOSA-N 282.252 -0.145 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1cc(F)ccc1O 2201087463 AQAFPALIHJGJJJ-WOPDTQHZSA-N 285.271 -0.088 10 10 CBCE Nc1ccc(CN=c2[nH]ccnc2S(N)(=O)=O)cc1 2270932107 ZADWEPFZFLHHRA-UHFFFAOYSA-N 279.325 -0.260 10 10 CBCE NCCCC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2289781020 JTYWFFMTKRYSRA-QMMMGPOBSA-N 283.284 -0.195 10 10 CBCE Oc1ccc(F)cc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309041284 ASHBYYKTSOJDEB-GMNPVEAJSA-N 257.261 -0.524 10 10 CBCE Nc1ccc(NC(=O)CN2CCN(CCO)CC2)cc1 36798267 RKLZAMKESFBTMN-UHFFFAOYSA-N 278.356 -0.183 10 10 CBCE C[C@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2O 698203866 HAJYJLNMAYUQPU-GAJTVXKRSA-N 278.308 -0.006 10 10 CBCE CCN(CC(N)=O)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 723179527 SBFQDASBBLVQST-GFCCVEGCSA-N 262.313 -0.026 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCNC1=O 1167926085 WZSOSRGFDMOSJJ-QMMMGPOBSA-N 250.254 -0.355 10 10 CBCE CCOC(=O)[C-]1S[C@@H](C(=O)OCC)C(=O)C1=O 1615945061 JORRCDHJDYUJCJ-SSDOTTSWSA-N 259.259 -0.102 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCNC[C@H]1CO 1876461084 JRZDKJRUFNYDKH-KWQFWETISA-N 264.329 -0.250 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@H](O)C1 2027475960 XVOGBWJYGDYYRJ-PHIMTYICSA-N 253.254 -0.796 10 10 CBCE Cc1cccc(O)c1CN[C@H]1CS(=O)(=O)C[C@@H]1O 2057714202 PNAPWRXWMRNBAV-JQWIXIFHSA-N 271.338 -0.052 10 10 CBCE O=C(O)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068566008 GPARJWGWPRFMSN-UHFFFAOYSA-N 253.210 -0.040 10 10 CBCE CO[C@H]1CNCC[C@H]1NC(=O)c1cc(O)nc(O)c1 2090583011 JPXATWVBMYJQMK-BDAKNGLRSA-N 267.285 -0.401 10 10 CBCE COC[C@](O)(CO)CNCc1cc(OC)ccc1O 2102398497 CYIBGIPKOFFUBG-CYBMUJFWSA-N 271.313 -0.140 10 10 CBCE CC1(C)[C@@H](O)[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2124805534 XHLAYUFRHUXBMY-XCBNKYQSSA-N 268.269 -0.551 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O 2182527586 DKIHCIDWLUCJOD-ZTCHHREXSA-N 279.292 -0.089 10 10 CBCE O=C(NCC[C@]1(O)CCNC1)c1cc(O)nc(O)c1 2230119083 REGQQPMSQXEABJ-GFCCVEGCSA-N 267.285 -0.663 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@H]2[C@H](O)CO)cc1 2258329883 ZTTSMONZJRFYAR-VXGBXAGGSA-N 250.298 -0.235 10 10 CBCE CS(=O)(=O)NCCNCc1cccc(O)c1O 41116715 YSLSIRWWQVSVJP-UHFFFAOYSA-N 260.315 -0.263 10 10 CBCE NC(=O)[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H]1C(N)=O 1630581125 NXDFBQCFBCGACE-KNVOCYPGSA-N 283.309 -0.888 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@]2(CO)CCNC2)cc1 1876410435 CUORXJTULTTYMN-GFCCVEGCSA-N 285.369 -0.587 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COCC[C@H]1O 2087730310 XDUDGYBIHJLECA-VHSXEESVSA-N 267.281 -0.094 10 10 CBCE NC(=O)NC1CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2106928769 XWRIOKRPFOQQSV-UHFFFAOYSA-N 266.257 -0.056 10 10 CBCE COc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c1O 2121364268 NKNWJXVSZXEOAS-UWVGGRQHSA-N 287.337 -0.352 10 10 CBCE CCOC[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348111 FBIUCOAQPRBJEG-MRVPVSSYSA-N 271.269 -0.069 10 10 CBCE CO[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348144 FPFMKYUQIRACFM-MRVPVSSYSA-N 271.225 -0.367 10 10 CBCE O=C(NC[C@@H]1CNCCOC1)c1cc(O)c(O)c(O)c1 2188915768 KVYYYCVPJUEETD-QMMMGPOBSA-N 282.296 -0.231 10 10 CBCE Nc1ccc(OCC(=O)N(C2CNC2)C2COC2)cc1 2191706556 KRPSPCLUAFSFFN-UHFFFAOYSA-N 277.324 -0.153 10 10 CBCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H](O)[C@H](O)[C@H]1CF 2205616141 VJUXAZSKOKSJIX-GRYCIOLGSA-N 286.259 -0.033 10 10 CBCE O=S1(=O)CC(O)(CNCc2ccc(O)c(O)c2O)C1 2267900805 KCSCFLIPLRLBSI-UHFFFAOYSA-N 289.309 -0.948 10 10 CBCE NC(=O)[C@@H]1CNCCN1Cc1cc(F)ccc1O 236163936 RZPSUXZDYOWLEW-JTQLQIEISA-N 253.277 -0.210 10 10 CBCE CNC(=O)C1CN(CC(=O)Nc2ccc(N)cc2)C1 381916569 FPPNRAMKUNLWDX-UHFFFAOYSA-N 262.313 -0.115 10 10 CBCE C[C@@H](O)CN(CCO)CC(=O)c1ccc(O)c(O)c1 382475597 CSQZRISHQZOWDF-SECBINFHSA-N 269.297 -0.044 10 10 CBCE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(O)c(O)c1 697270138 NROJKNSJOPZMKU-CABZTGNLSA-N 287.337 -0.001 10 10 CBCE Cn1ncc(S(=O)(=O)NCc2ccccc2O)n1 2027814312 DWWDAOSCQNHQQK-UHFFFAOYSA-N 268.298 -0.001 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)CO2)cc1 2052299264 IPEOAHMEQYCPIP-WDEREUQCSA-N 254.286 -0.383 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NCc1cccc(O)c1O 2053780492 PKQUONKDOTYIKE-LDYMZIIASA-N 252.270 -0.170 10 10 CBCE COC(=O)[C@@H](N)CCNC(=O)c1ccc(O)c(O)c1 2088536147 FTVSIIZCTCUWHX-QMMMGPOBSA-N 268.269 -0.282 10 10 CBCE N[C@]1(C(=O)O)C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2094870024 OZBKGFGTDZFKGC-HCJPZQEFSA-N 266.253 -0.228 10 10 CBCE COC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2132406453 IHURQPTXBPNDGN-LURJTMIESA-N 270.241 -0.967 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)[C@H]1CNc2ccccc2N1 2165083586 RJBDATRPDHHPJU-KKBFJBPOSA-N 277.324 -0.107 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)[C@H]1CC(=O)NC1=O 2171207486 VKYGILOYZMSPIP-ONGXEEELSA-N 274.280 -0.510 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@H]1[C@@H](O)CO 2258345942 NJJZOAZZQMZCFV-SCZZXKLOSA-N 253.254 -0.335 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1 2289331787 QWISUTYYJHIGEH-LJUAHTATSA-N 288.294 -0.426 10 10 CBCE NC(=O)C[C@H](N)C(=O)NCc1cc(F)ccc1O 83408524 DLDKOTPYFXCMDL-QMMMGPOBSA-N 255.249 -0.650 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCN(CCO)CC3)ccc21 102487851 UVAOZJSXJKHKAK-CYBMUJFWSA-N 276.340 -0.247 10 10 CBCE CO[C@H]1CNC[C@@H]1NC(=O)c1cccc(O)c1O 126650343 AKLZPIIPMFOLOX-WPRPVWTQSA-N 252.270 -0.186 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN[C@H](CCO)C1 710598885 VYESRTQOGIKSIR-SNVBAGLBSA-N 266.297 -0.106 10 10 CBCE O=S(=O)(NCc1c(O)cccc1F)N1CCNCC1 923677097 QNKIARRRXDKBJY-UHFFFAOYSA-N 289.332 -0.229 10 10 CBCE O=C(C(=O)N1CC(CO)C1)N1Cc2cccc(O)c2C1 1332018211 DNJNVYAWQQXWSF-UHFFFAOYSA-N 276.292 -0.315 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2CNCCO2)cc1 1876418139 UWYBWZQJNXWCNT-GFCCVEGCSA-N 285.369 -0.323 10 10 CBCE N=c1ncn(CC(=O)NCCc2ccc(N)cc2)[nH]1 1876511404 PHDGYPWSIGEFIS-UHFFFAOYSA-N 260.301 -0.368 10 10 CBCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@H]1CCS(=O)(=O)C1 1912181894 ULJWRSVSNORKQE-CBAPKCEASA-N 275.334 -0.435 10 10 CBCE Nc1ccc(OCCNS(=O)(=O)N2CC(O)C2)cc1 1914183893 SDFMSMWRUGCMRZ-UHFFFAOYSA-N 287.341 -0.842 10 10 CBCE Cc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1O 2046512921 AEDKLLGLBOGKFZ-DNIRFERGSA-N 253.298 -0.355 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 2089921090 YSKBDJSXBOPJSB-DTWKUNHWSA-N 267.285 -0.760 10 10 CBCE Nc1ccc(CC(=O)NCCCNS(N)(=O)=O)cc1 2101322412 RMVCHCXBLCYCQS-UHFFFAOYSA-N 286.357 -0.889 10 10 CBCE Oc1c(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)ccc(F)c1F 2108831339 VYGMLASLACCNKV-FCMYFTRRSA-N 275.251 -0.385 10 10 CBCE Cn1ncc(CN)c1NC(=O)c1cc(O)nc(O)c1 2126439705 CBURMOPRZVLHEJ-UHFFFAOYSA-N 263.257 -0.063 10 10 CBCE O=C1NCC2(CN(c3ccc4c(c3)NC(=O)[C@H]4O)C2)N1 2177667645 BUEUGUOTMGOZSC-JTQLQIEISA-N 274.280 -0.456 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCN[C@H](CCO)C2)cc1 2191761147 LTOWMZVVOXQQNI-CYBMUJFWSA-N 299.396 -0.245 10 10 CBCE CN(C)c1ccc(CN2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)cc1 2200865403 SARWTSMUHPDDGA-YNEHKIRRSA-N 280.324 -0.257 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2COC)cc1 2225702984 UCPPYFPBHFIRPK-RDBSUJKOSA-N 266.341 -0.037 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(CN)c1 2227681244 AVXWAFWAOXVEHA-AGIUHOORSA-N 268.313 -0.943 10 10 CBCE NCC[C@@H]1C(=O)NN(c2cccc([N+](=O)[O-])c2)C1=O 106665703 ICOQAIGAIVSGDV-SECBINFHSA-N 264.241 -0.062 10 10 CBCE CS(=O)(=O)CS(=O)(=O)NCc1ccc(N)cc1 129947003 CWXDUFTXPQJRDZ-UHFFFAOYSA-N 278.355 -0.310 10 10 CBCE C[C@@H]1C(=O)NCCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 252476419 INZBVWSUIQGFBS-PELKAZGASA-N 274.324 -0.013 10 10 CBCE CO[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2087725235 ROXAHDZODNAZLJ-SNVBAGLBSA-N 269.253 -0.144 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 2123488063 HGKVACSXSKWTCC-BDAKNGLRSA-N 268.269 -0.285 10 10 CBCE C[C@@H]1[C@@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2126119602 MSQWDKZDHOIHPX-FDOIEUKUSA-N 266.297 -0.441 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@]1(N)CCS(=O)(=O)C1 2172177784 RRVWXFBBOYUJEJ-ZDUSSCGKSA-N 298.364 -0.133 10 10 CBCE CNS(=O)(=O)C1CN(c2cc3c(cc2N)OCCO3)C1 2187302161 QJUJFFMRIZHAGI-UHFFFAOYSA-N 299.352 -0.222 10 10 CBCE Nc1cc2c(cc1N1CC[C@@H](O)[C@H](O)C1)NC(=O)CO2 2188627131 DFCVKJNAYIUMMF-GHMZBOCLSA-N 279.296 -0.468 10 10 CBCE N[C@H]1CC(C(=O)N2CCCc3nnc(O)cc32)=C[C@H]1O 2206095360 HDJKQDNFJDPCIZ-GZMMTYOYSA-N 276.296 -0.520 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1CNCCNC1 2271986762 UEGPRTZJYPAZHP-UHFFFAOYSA-N 265.313 -0.682 10 10 CBCE CN(C)C(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459731 BHCYBAHGFDRHPW-JTQLQIEISA-N 295.339 -0.486 10 10 CBCE Cc1ccc([C@@H](N)C(=O)NC[C@H](O)CO)c(O)c1 83398401 CBCNYPMROKQAKV-GZMMTYOYSA-N 254.286 -0.830 10 10 CBCE CNC(=O)[C@H]1CNCCN1Cc1ccc(OC)cc1O 89082921 NQZRIGDSUZOSIK-GFCCVEGCSA-N 279.340 -0.079 10 10 CBCE NC(=O)[C@H]1C[C@@H](O)CN1C(=O)COc1ccc(N)cc1 103475798 GJASVFGDRISFJE-MWLCHTKSSA-N 279.296 -0.905 10 10 CBCE CN1NC(=O)[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C1=O 169996264 XOJUTQARQNBEPL-QMMMGPOBSA-N 291.263 -0.137 10 10 CBCE O=C(O)CN(CCO)C(=O)c1cccc(O)c1O 387467791 SVOBVOQNGRVPPZ-UHFFFAOYSA-N 255.226 -0.383 10 10 CBCE CN(Cc1nnnn1C)c1ccc2c(c1)NC(=O)[C@H]2O 707630781 OEMJQWXHNSGSQS-NSHDSACASA-N 274.284 -0.168 10 10 CBCE NC(=O)N1CCN(C(=O)c2ccc(O)c(O)c2)CC1 722172708 UJQRFCZKGBYVNG-UHFFFAOYSA-N 265.269 -0.066 10 10 CBCE COC[C@](O)(CO)CNCc1ccc(F)cc1O 2084173047 PVCQFRZCTWZCRA-GFCCVEGCSA-N 259.277 -0.009 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COC[C@@H]2CO)cc1 2090326141 UWMYRALLCLPNHA-JQWIXIFHSA-N 286.353 -0.305 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1(C(=O)O)CNC1 2095993710 CXBXMWQLXYPZHT-UHFFFAOYSA-N 266.253 -0.817 10 10 CBCE O=C(CNC(=O)c1cc(O)c(O)c(O)c1)NC1CC1 2132351088 TYXSUHUHVFTYED-UHFFFAOYSA-N 266.253 -0.188 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)ccc1CO 2139700547 LBZVALVTGQOLMT-MDZLAQPJSA-N 269.297 -0.910 10 10 CBCE COc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1CO 2139700548 LBZVALVTGQOLMT-NTZNESFSSA-N 269.297 -0.910 10 10 CBCE Oc1cc(-c2nc(N3CCNCC3)n[nH]2)cc(O)c1O 2188919443 MZLVIIPVYIJFJM-UHFFFAOYSA-N 277.284 -0.002 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1Cc1ccc(N)cc1 2218660833 AOMXZHRWXUMIFH-UPJWGTAASA-N 252.314 -0.179 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)CCCO2 2226669474 UEIZXGXRJAIVSL-BZPMIXESSA-N 265.309 -0.086 10 10 CBCE COc1cc(N2CC[C@@](O)(CO)[C@@H](O)C2)ccc1CO 2234092543 KSOSZBNTRIAKOG-UONOGXRCSA-N 283.324 -0.518 10 10 CBCE Cn1c(O)nc(Sc2ncc(C(=N)N)s2)nc1=O 2264135001 JONBBLHSIWYSCZ-UHFFFAOYSA-N 284.326 -0.227 10 10 CBCE C[C@@H](OC(=O)COc1ccc(N)cc1)C(=O)NC(N)=O 41093736 VMFVKXYQVLOENX-SSDOTTSWSA-N 281.268 -0.226 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](CO)C1 167719580 BMZIEKPEFKZUTB-MNOVXSKESA-N 280.324 -0.192 10 10 CBCE O=C(NCC[C@H](O)C(=O)O)c1cccc(O)c1O 236539507 FMWKTVCQFRWJSV-QMMMGPOBSA-N 255.226 -0.337 10 10 CBCE CO[C@]1(CO)CCN(C(=O)c2cc(O)nc(O)c2)C1 401873609 MAZVWVMCOWDCKF-GFCCVEGCSA-N 268.269 -0.284 10 10 CBCE O=C(O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 401976594 VNOFYUOGEUAFCX-JGVFFNPUSA-N 282.252 -0.600 10 10 CBCE N[C@H]1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3)CCN2C1 405291300 YBYOGRMVYODWEO-QWRGUYRKSA-N 277.324 -0.045 10 10 CBCE O=C(NC[C@@H]1C[C@@H]1C(=O)O)c1cc(O)nc(O)c1 715370110 RABRFJURNUXMFD-BQBZGAKWSA-N 252.226 -0.057 10 10 CBCE NC(=O)CN1CCN(Cc2cc(F)cc(F)c2O)CC1=O 894986961 XENUARGXNVEIOM-UHFFFAOYSA-N 299.277 -0.200 10 10 CBCE CN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(=O)N1 1546164839 WVBFNNHTCUZDCN-SECBINFHSA-N 290.283 -0.076 10 10 CBCE Nc1ccc(OCC(=O)NCC2(O)CC(N)C2)cc1 1876481809 FPECMNRWGHTCTA-UHFFFAOYSA-N 265.313 -0.384 10 10 CBCE O=C(NC1(C(=O)O)CC(O)C1)c1cc(O)nc(O)c1 1879048271 QDMWLBAOCATIOQ-UHFFFAOYSA-N 268.225 -0.799 10 10 CBCE NC(=O)[C@@H]1CNCCN1Cc1c(O)cccc1F 2042632227 CTWGLMMVRDMIOW-JTQLQIEISA-N 253.277 -0.210 10 10 CBCE COC[C@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2068575736 DUAJFYAOQQJBMW-ZETCQYMHSA-N 257.242 -0.460 10 10 CBCE COC(=O)CN(C)S(=O)(=O)NCc1ccccc1O 2105194285 BTLXJCFNAKYLKZ-UHFFFAOYSA-N 288.325 -0.169 10 10 CBCE O=C(N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cccc(O)c1O 2118055865 WJFMUFMTSSQWCP-MBTKJCJQSA-N 283.305 -0.129 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)C[C@H]3CO)ccc21 2200827437 DRVGBTOITOGIFA-KWBADKCTSA-N 277.324 -0.040 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@H](O)[C@H]2C(=O)O)cc1 2200908447 WRRIGJNBAQVXAB-AVGNSLFASA-N 280.324 -0.308 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2205607220 FAJHQNDTLFUFRD-GVXVVHGQSA-N 283.303 -0.417 10 10 CBCE Nc1ccc(NC(=O)NCCS(=O)(=O)CCO)cc1 2335856314 JDSDKQGIRSSXAG-UHFFFAOYSA-N 287.341 -0.203 10 10 CBCE CN(C)C(=O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40464157 LCJXEIJTGJBAQR-JTQLQIEISA-N 295.339 -0.438 10 10 CBCE CCN[C@@H]1C(=O)Nc2cc(N3CC(=O)NC(=O)C3)ccc21 97268854 DGSPOYNKXADKBA-ZDUSSCGKSA-N 288.307 -0.248 10 10 CBCE O=C(NCC[C@@H](O)C(=O)O)c1ccc(O)c(O)c1 236532574 MOUPZFLYQNTFSU-MRVPVSSYSA-N 255.226 -0.337 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1cc(O)nc(O)c1 250757067 GLKWPUKTPWDBFG-JADCEHMESA-N 265.269 -0.663 10 10 CBCE C[C@@H](CNCc1cc2c(cc1O)OCO2)S(N)(=O)=O 398226924 GBTXYBIYVNCPSD-ZETCQYMHSA-N 288.325 -0.113 10 10 CBCE CN(C)C[C@@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2N 708529288 VWWQLEYDARJSAQ-MFKMUULPSA-N 278.356 -0.003 10 10 CBCE CC(=O)C(=O)COC(=O)c1cc2n(n1)CCCO2 808541429 JZNBSOJURGNHOG-UHFFFAOYSA-N 252.226 -0.020 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc(N)cc1 1876490679 FJKBDOINJVOUJC-WDEREUQCSA-N 265.313 -0.432 10 10 CBCE O=C(O)C1[C@@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]12 2087315634 PFFIPMIHKPTQLQ-RNFRBKRXSA-N 264.237 -0.105 10 10 CBCE O=C(CN1CC(OCCO)C1)c1ccc(O)c(O)c1 2095969994 RNHBLMHFBHVLFH-UHFFFAOYSA-N 267.281 -0.026 10 10 CBCE Cn1nnnc1CCNCc1ccc(O)c(O)c1O 2119297025 CZENFLVMAAIXNF-UHFFFAOYSA-N 265.273 -0.341 10 10 CBCE N[C@H]1CCOC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132419866 XHELXPJKMQOWPM-JGVFFNPUSA-N 268.269 -0.351 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC(NC(N)=O)C3)cc21 2163220559 WOEWZQFGRICNEV-LLVKDONJSA-N 276.296 -0.447 10 10 CBCE C[C@H](O)[C@@H]1CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2182241390 QDJXVCMEKMQWBG-LSJOCFKGSA-N 280.324 -0.051 10 10 CBCE Cn1[nH]c(CCN)nc1=NC(=O)c1ccc(O)c(O)c1 2183127953 BJOUHDCPPOWRCP-UHFFFAOYSA-N 277.284 -0.598 10 10 CBCE C[C@H](NC(=O)[C@H](N)C1CS(=O)(=O)C1)c1ccccc1O 2197522185 DJPQQAMITROTEV-QPUJVOFHSA-N 298.364 -0.059 10 10 CBCE Oc1cccc(Cl)c1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309042508 IWMWNXOKOXIIGN-GMNPVEAJSA-N 273.716 -0.010 10 10 CBCE COc1ccc(N2CC([C@H](O)CO)C2)c(CN)c1 2315157949 AEZDCSYHTSERPN-CYBMUJFWSA-N 252.314 -0.057 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@H](n2cnc3c(N)nc(N)nc32)O[C@@H]1CO 29478718 BFTAFRDMRHNFKO-HSUXUTPPSA-N 291.275 -0.051 10 10 CBCE CC1(C)C(=O)NC(=O)CN1CC(=O)Nc1ccc(N)cc1 97300240 SAUSFBUDSGARNB-UHFFFAOYSA-N 290.323 -0.056 10 10 CBCE NCc1ccc(N(CC(N)=O)CC(N)=O)cc1F 135227043 UFMXLECGZOIYAO-UHFFFAOYSA-N 254.265 -0.939 10 10 CBCE NC(=O)[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 236230250 UFIULTQRSLYLLC-SECBINFHSA-N 263.297 -0.019 10 10 CBCE O=C(N[C@@H]1COC[C@H]1O)[C@@H]1CNc2ccccc2N1 323260352 BTHUMIISCSXHBR-QJPTWQEYSA-N 263.297 -0.232 10 10 CBCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(N)=O 798338416 PHODSIMXZUKOQO-SSDOTTSWSA-N 267.285 -0.187 10 10 CBCE NS(=O)(=O)C1(C(=O)NCc2ccc(O)cc2O)CC1 1643104253 RQAOGVBARIUXQD-UHFFFAOYSA-N 286.309 -0.465 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@]2(N)CCOC2)cc1 1876417238 IJQCDKVWOVBJIR-GFCCVEGCSA-N 285.369 -0.194 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC(CO)(CO)C3)ccc21 1914970895 KTFWBNWZYRNQBT-GFCCVEGCSA-N 277.324 -0.310 10 10 CBCE O=C1N[C@H]2CN(Cc3cccc(F)c3O)C[C@H]2NC1=O 1974194097 BPEFQMVABPTCGL-AOOOYVTPSA-N 279.271 -0.670 10 10 CBCE O=C1N[C@H]2CN(Cc3cccc(Cl)c3O)C[C@H]2NC1=O 1974194346 KOBJPZCGXNPJKU-AOOOYVTPSA-N 295.726 -0.156 10 10 CBCE Cc1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c1 2057716914 DQMKTVRGEBMSOE-JQWIXIFHSA-N 271.338 -0.052 10 10 CBCE O=C(N[C@]1(CO)C[C@H](O)C1)c1cccc(O)c1O 2076684464 XUOFBVPGHMGCLC-OGXFKERWSA-N 253.254 -0.287 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCC1(O)CNC1 2087726495 HYRPDAFEMHSTRO-UHFFFAOYSA-N 266.297 -0.519 10 10 CBCE Nc1cccc(C(=O)O)c1N[C@H]1CS(=O)(=O)C[C@H]1O 2121464584 FWKRMAQCJHZZHC-DTWKUNHWSA-N 286.309 -0.463 10 10 CBCE O=C(NC[C@@H]1C[C@@H]2OCC[C@H]2N1)c1cc(O)nc(O)c1 2146638451 MELSBQCZUPPDBA-AEJSXWLSSA-N 279.296 -0.258 10 10 CBCE O=C1N[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4O)C[C@H]2O1 2176926563 IDUOASIBHHUAJG-GMTAPVOTSA-N 275.264 -0.031 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC4(CNC(=O)N4)C3)ccc21 2177690842 CAPVWNRQKVDYFJ-SNVBAGLBSA-N 273.296 -0.490 10 10 CBCE Nc1ccc(CCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 2177852447 XFDIWJSWQHLKKG-VXGBXAGGSA-N 298.364 -0.525 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1Cc1c(O)cccc1F 2201083228 XTFNOHSRQSTCSA-GRYCIOLGSA-N 285.271 -0.088 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1F 2311715513 XUGDBNOXGRJLMJ-TUAOUCFPSA-N 256.277 -0.813 10 10 CBCE COc1cc(N2CC([C@H](O)CO)C2)ccc1CN 2315273495 XOAYAVVEAPGQFF-GFCCVEGCSA-N 252.314 -0.057 10 10 CBCE C[C@@H](NC(=O)[C@H]1NC[C@@H](O)[C@H]1O)c1ccccc1O 2332934669 OEJOHRVANKWBNC-KPQFEUGASA-N 266.297 -0.737 10 10 CBCE O=C(CC1CNC1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 81765444 XHKQOAGDOZSXKR-JTQLQIEISA-N 294.307 -0.181 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(N)cc1 1876147856 AWSPAUXMWSDIBW-ZJUUUORDSA-N 264.285 -0.279 10 10 CBCE CN(C[C@H](O)COc1ccc(N)cc1)[C@H]1CCNC1=O 1916853529 LBDZXIJEZOSWRL-AAEUAGOBSA-N 279.340 -0.171 10 10 CBCE C[C@@H](c1c(O)cccc1O)N1CC(N)(C(N)=O)C1 2047099497 VQUVUYZYVJTKJE-ZETCQYMHSA-N 251.286 -0.343 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CC[S@@](=O)C3)c2n1 2062045466 DAWCCJMTXOGLPN-ZPWHCFADSA-N 294.336 -0.006 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2080937040 BNCMSSBVQCCQQL-WRSRJMLGSA-N 253.298 -0.357 10 10 CBCE NC[C@@H]1C[C@@H](NC(=O)c2cc(O)nc(O)c2)CCO1 2097947297 WZJFMBDKAGVYJF-IUCAKERBSA-N 267.285 -0.271 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NCc1ccc(O)c(O)c1O 2117464335 XQOHJMALJRILKI-HQJQHLMTSA-N 268.269 -0.464 10 10 CBCE O=C(NCC1(C(=O)O)COC1)c1cc(O)nc(O)c1 2131341772 XNDFJWAVTKEGHP-UHFFFAOYSA-N 268.225 -0.676 10 10 CBCE Nc1ccc(CC(=O)N2CCOC[C@@H]2[C@H](O)CO)cc1 2146322811 FPAHFAPDGWCFJN-CHWSQXEVSA-N 280.324 -0.608 10 10 CBCE NC[C@]1(O)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 2157528592 KFULGPHOABQYSZ-CQSZACIVSA-N 280.324 -0.048 10 10 CBCE OCc1cc(F)c(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(F)c1 2183643196 RZRZTQXGHRAUDC-ZYHUDNBSSA-N 287.262 -0.232 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCN[C@@H](CCO)C2)cc1 2191761148 LTOWMZVVOXQQNI-ZDUSSCGKSA-N 299.396 -0.245 10 10 CBCE O=C(N[C@H]1CCOC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2193219451 RWRLPVVYVGMNCC-IUCAKERBSA-N 283.280 -0.069 10 10 CBCE COc1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)c1 2200861407 MADUSEZWLJSMJE-SDDRHHMPSA-N 283.280 -0.609 10 10 CBCE NCCS(=O)(=O)CCNC(=O)c1cccc(O)c1O 2335753473 YDUUAFCPJCPQHG-UHFFFAOYSA-N 288.325 -0.799 10 10 CBCE Nc1cc2c(cc1N1C[C@@H]3C[C@H]1[C@@H](O)[C@H]3O)OCCO2 2354474223 KUOFTNQTNHNSRF-ZMHRIIPESA-N 278.308 -0.030 10 10 CBCE NC(=O)CN(CC(N)=O)C(=O)Nc1ccc(N)cc1 61809196 OHVBYVCQAKRVKI-UHFFFAOYSA-N 265.273 -0.927 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCC(=O)NC1 111021097 JNMOILBAUNWLKR-UWVGGRQHSA-N 293.323 -0.638 10 10 CBCE CC(CO)(CO)NC(=O)c1ccn(-c2ccc(N)cc2)n1 125532812 VHDVOEMBLRPMGK-UHFFFAOYSA-N 290.323 -0.072 10 10 CBCE CC(CO)(CO)NCc1cc2c(cc1O)OCO2 125672660 KPPHFIKWCUGBAZ-UHFFFAOYSA-N 255.270 -0.046 10 10 CBCE COc1ccc(O)c(CNC(=O)Cn2cn[nH]c2=O)c1 180566100 YUUSTNHAMODCOB-UHFFFAOYSA-N 278.268 -0.398 10 10 CBCE CN1C(=O)C[C@@H](NCc2ccc(O)c(O)c2O)C1=O 234315196 FIBRSVXQOPNICT-SSDOTTSWSA-N 266.253 -0.350 10 10 CBCE O=C(O)CCOCCNC(=O)c1cc(O)nc(O)c1 306081469 DBTSITNCIZTTIR-UHFFFAOYSA-N 270.241 -0.286 10 10 CBCE CCO[C@H]1COCC[C@]1(NCCN=[N+]=[N-])C(N)=O 686591826 XVKPXTLTONQOPE-WCBMZHEXSA-N 257.294 -0.064 10 10 CBCE Nc1ccc(CNC(=O)CN2C(=O)CNC2=O)cc1 701379174 QRHVERIFQRCQII-UHFFFAOYSA-N 262.269 -0.563 10 10 CBCE N[C@H]1CCOC[C@H]1NC(=O)c1ccc(O)c(O)c1 710981146 HPKVNXJMGHGHKW-DTWKUNHWSA-N 252.270 -0.056 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNCCOC2)cc1 1876463994 XTBXAHMZURSTMX-GFCCVEGCSA-N 285.369 -0.323 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2CCS2(=O)=O)cc1 2094344917 QOVKQCXYVWJTRH-LLVKDONJSA-N 284.337 -0.049 10 10 CBCE NC[C@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2132400405 MLGYTRBWJKBLMT-QMMMGPOBSA-N 268.269 -0.397 10 10 CBCE CS(=O)(=O)CNC(=O)NCCc1ccc(O)c(O)c1 2138290168 SOKACDMMOGXRRA-UHFFFAOYSA-N 288.325 -0.058 10 10 CBCE O=C(O)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188868571 SXVSVUCECIJMRC-SECBINFHSA-N 283.236 -0.271 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H](O)CCO 2351745040 FHLXHGTWFOGLKI-JTQLQIEISA-N 269.297 -0.110 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCO[C@H](CO)C3)cc21 131412567 NRNQUKYERYVKHD-GXFFZTMASA-N 277.324 -0.140 10 10 CBCE COC(=O)CS(=O)(=O)Nc1ccc(O)cc1N 234536358 AVNTXYQRMFDKCH-UHFFFAOYSA-N 260.271 -0.111 10 10 CBCE COCCN1CC[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1 328469974 KXCIIMFJBVTYBW-NSHDSACASA-N 270.337 -0.147 10 10 CBCE NC(=O)C(NCc1ccc(N2CCCC2)cc1)C(N)=O 695315606 GYRWQDOXQAGQBQ-UHFFFAOYSA-N 276.340 -0.284 10 10 CBCE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1566968085 DTKCHYZWYAVCGV-ZJUUUORDSA-N 295.291 -0.225 10 10 CBCE C[C@H](O)CNCCNS(=O)(=O)Cc1ccc(N)cc1 1876414158 QTFZKHQMBKSHAM-JTQLQIEISA-N 287.385 -0.341 10 10 CBCE NC[C@H]1C[C@@H](O)CN1c1cc2c(cc1N)OCCO2 1876553537 MZYSAEGDUQPQOI-RKDXNWHRSA-N 265.313 -0.062 10 10 CBCE NC(=O)NCCCNC(=O)c1cccc(O)c1O 2048860074 PLEVVWJZRABKQA-UHFFFAOYSA-N 253.258 -0.114 10 10 CBCE Cn1cc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c(CN)n1 2059370213 GEXIEFBJPRWTFL-ZKCHVHJHSA-N 250.302 -0.242 10 10 CBCE O=C(NN1CCOCC1)c1cc(O)c(O)c(O)c1 2068566855 MFLQEZAUEZIKGT-UHFFFAOYSA-N 254.242 -0.220 10 10 CBCE N[C@]12C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2068618910 UVQAACONDVWZNC-KRTXAFLBSA-N 250.254 -0.023 10 10 CBCE NC[C@@H](O)CNC(=O)CCOc1ccc(N)cc1 2071851287 OEBWKZXQZLPGDA-SNVBAGLBSA-N 253.302 -0.527 10 10 CBCE Cc1nnc(Cn2ccc3c(c2=O)CNCC3)n1C 2094405275 SCVGAZAVJIXWGV-UHFFFAOYSA-N 259.313 -0.021 10 10 CBCE O=C(N[C@@H](C(=O)O)[C@H]1CCOC1)c1cc(O)nc(O)c1 2149323931 AEIVZFFOHKLFTO-QUBYGPBYSA-N 282.252 -0.288 10 10 CBCE O=S1(=O)CCN(Cc2ccc(O)c(O)c2)C2(CNC2)C1 2183501309 YWDTYYATXWYRKA-UHFFFAOYSA-N 298.364 -0.330 10 10 CBCE N[C@H]1CC(C(=O)NCCc2ccc(O)c(O)c2)=C[C@@H]1O 2188028148 XJVJFQTULVGWLH-JQWIXIFHSA-N 278.308 -0.225 10 10 CBCE CO[C@@H]1CN(C)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913599 UAODBLSPPHXNBL-LDYMZIIASA-N 282.296 -0.138 10 10 CBCE C[C@]1(O)CN(c2ccc3c(c2)NC(=O)[C@H]3N)CC[C@H]1O 2201497608 DFJFWDDBCCYQGK-DYEKYZERSA-N 277.324 -0.040 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@](O)(CO)[C@H](O)C1 2234108584 VMKDUUKDFQQPDB-ZWNOBZJWSA-N 283.280 -0.972 10 10 CBCE Nc1ccc(OCCN2CC([C@H](O)CO)C2)cc1 2315143022 BDWXOYFIVBROEG-CYBMUJFWSA-N 252.314 -0.067 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NCCO)cc1 70490560 NYKITPAUVAWCMR-UHFFFAOYSA-N 260.315 -0.441 10 10 CBCE O=C(CN1CCNCC1)c1ccc(O)c(O)c1O 71452015 SUUMILCVSSRTOM-UHFFFAOYSA-N 252.270 -0.109 10 10 CBCE Nc1ccc(CCC(=O)N2CC(=O)NC(=O)C2)cc1 97267299 ADFBTQUJQQLWRU-UHFFFAOYSA-N 261.281 -0.314 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H](CO)O1 229992228 BOGPKSTZJFVVRC-IONNQARKSA-N 268.269 -0.285 10 10 CBCE NC[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 236242980 ZNCYBYVJSFOEFV-SECBINFHSA-N 252.270 -0.103 10 10 CBCE N[C@@]1(C(=O)O)CCN(C(=O)c2ccc(O)c(O)c2)C1 236308318 JXYBMLFIGRQZLH-LBPRGKRZSA-N 266.253 -0.274 10 10 CBCE CS(=O)(=O)NCC(=O)NCc1ccccc1O 379747676 APOUVBAPPFPKMZ-UHFFFAOYSA-N 258.299 -0.442 10 10 CBCE NCC(CN)NCc1ccc(N2CCOCC2)cc1 923357202 UITJTUQPNHKFBN-UHFFFAOYSA-N 264.373 -0.101 10 10 CBCE O=C1C[C@H](c2cccc(O)c2O)[C@H](C(=O)O)C(=O)N1 1951726712 XMNLIVTXCFEUJJ-MUWHJKNJSA-N 265.221 -0.071 10 10 CBCE CO[C@](C)(CO)CNC(=O)c1cc(O)c(O)c(O)c1 2132349459 DCAFNSYFAVIPKI-LBPRGKRZSA-N 271.269 -0.069 10 10 CBCE Cc1cc(CN)ccc1N1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1 2166790743 KCBOFRXIKXJYNW-PHIMTYICSA-N 274.324 -0.743 10 10 CBCE C[C@@H](C(=O)O)N1CC(NC(=O)c2cccc(O)c2O)C1 2188307243 DCNXYODAHFHIGM-ZETCQYMHSA-N 280.280 -0.015 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NCc2nnn[nH]2)cc1 70490806 RLVWGVXGRUVSTK-UHFFFAOYSA-N 298.328 -0.720 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCC(=O)NC2=O)cc1 89752396 DSKQPQNYFAUWNS-JTQLQIEISA-N 297.336 -0.507 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCS(=O)(=O)C1 90257953 LONAXUCFIZCLOO-QMMMGPOBSA-N 261.307 -0.681 10 10 CBCE NS(=O)(=O)CCCNC(=O)[C@@H]1CNc2ccccc2N1 229880039 STIYJNXDEUXOBT-NSHDSACASA-N 298.368 -0.313 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)Cc2ccc(N)cc2)C1 381781237 YGMLHYIKRWJTGB-CYBMUJFWSA-N 263.297 -0.740 10 10 CBCE CO[C@@H]1CNC[C@@H]1NC(=O)COc1ccc(N)cc1 1876491867 RYTCXQPCPJRZML-NWDGAFQWSA-N 265.313 -0.249 10 10 CBCE CS(=O)(=O)CS(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912190834 KESNNJSKRRTZFB-ZETCQYMHSA-N 282.347 -0.050 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CO[C@]2(CCOC2)C1 2058580066 NWYTVJPCTZKCSN-NXEZZACHSA-N 255.278 -0.310 10 10 CBCE CN(Cc1ccccc1O)[C@@H]1CS(=O)(=O)C[C@@H]1N 2072462480 RIWIBPDLCWUFKM-WDEREUQCSA-N 270.354 -0.052 10 10 CBCE CCn1nnc([C@@H](NCCN=[N+]=[N-])C(=O)OC)n1 2077193515 AZJQPNILUCABJD-ZCFIWIBFSA-N 254.254 -0.193 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CNC[C@H]1O 2087727175 OQXXWAPJFKRDPZ-BXKDBHETSA-N 266.297 -0.663 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@@H]2COC[C@@H]21 2188937119 BDHIIIFOROLMHP-BDAKNGLRSA-N 280.280 -0.384 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2[C@H](N)[C@@H]3CCO[C@H]32)cc1 2191748334 UENRVKOVUWEUBM-IGHBBLSQSA-N 277.324 -0.122 10 10 CBCE Nc1cc2c(cc1N1CC(CS(N)(=O)=O)C1)OCCO2 2194428872 SYQRIMXWOYGUEB-UHFFFAOYSA-N 299.352 -0.235 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@]23CNC[C@H]2C3)cc1 2238858945 STGBAJFDOXZFNH-ZWNOBZJWSA-N 297.380 -0.071 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)[C@@H](O)CC1 2284565445 LAUISNSPXUQCDR-IUCAKERBSA-N 283.280 -0.239 10 10 CBCE Cc1cc(N2CCNC(=O)[C@@H]2C(N)=O)ccc1[C@@H](C)O 2285176825 YTTOUTFNGQCNFY-SKDRFNHKSA-N 277.324 -0.162 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1OC 2289357752 KTXNVTXGQHAIDK-CHIMOYNISA-N 283.324 -0.146 10 10 CBCE C[C@@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(O)cc1O 2330864049 RRUUWJKICJLRIB-NYRNMGCKSA-N 287.337 -0.094 10 10 CBCE CN(C)CCNC(=O)[C@H](N)c1cc(O)ccc1O 83395684 AMLYVMDPZBXUDI-LLVKDONJSA-N 253.302 -0.225 10 10 CBCE NC(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 690785517 PDXAYVVUCBZOHW-NSHDSACASA-N 298.368 -0.159 10 10 CBCE CC1(C(N)=O)CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 1914221594 SENCHEUQLMDGIH-JTQLQIEISA-N 261.281 -0.016 10 10 CBCE N[C@H]1C[C@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 2049116333 HMPJVEFUXAMBPM-YUMQZZPRSA-N 253.258 -0.973 10 10 CBCE CN(Cc1ccccc1O)[C@H]1CS(=O)(=O)C[C@@H]1O 2072451285 VHIKCKYLHJLPAN-JQWIXIFHSA-N 271.338 -0.018 10 10 CBCE O=C(Nc1nc(O)n[nH]1)c1cc(O)c(O)c(O)c1 2078790737 QYGWXYSJXAUJST-UHFFFAOYSA-N 252.186 -0.121 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Cl)c1 2080928052 WXHBZIPHJWNNMX-GRYCIOLGSA-N 273.716 -0.265 10 10 CBCE O=C(NC[C@H]1C[C@H](O)CCO1)c1cc(O)nc(O)c1 2097945770 MTRSCBLAIUTFSG-RKDXNWHRSA-N 268.269 -0.238 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](O)[C@H](O)C2)cc1 2132128781 DUPUSTKNISEOEW-VXGBXAGGSA-N 286.353 -0.474 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1[C@H](O)CO 2179735347 FFLFEOBVZFWHPE-GXFFZTMASA-N 281.308 -0.016 10 10 CBCE COc1cccc(CN2C[C@H](O)[C@H](O)[C@H]2C(=O)O)c1O 2200865689 SIAKUGUQUYWDGN-PEXQALLHSA-N 283.280 -0.609 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2311714656 DYTSCFGDCUQNMI-TUAOUCFPSA-N 272.732 -0.299 10 10 CBCE O=[N+]([O-])c1cc(CO)ccc1N1CC([C@H](O)CO)C1 2336883932 DTFRDUQLVBRKSA-GFCCVEGCSA-N 268.269 -0.124 10 10 CBCE CC(C)NCc1ccc(N(CC(N)=O)CC(N)=O)cc1 61808301 OOLAQSJGOKONJN-UHFFFAOYSA-N 278.356 -0.038 10 10 CBCE Cn1nnnc1N(CC(N)=O)Cc1ccc(N)cc1 62939452 DQDJEOXQGNRBJY-UHFFFAOYSA-N 261.289 -0.716 10 10 CBCE Oc1ccc(CNCCn2ncnn2)c(O)c1O 380061832 OPGCBWCPHIEXOR-UHFFFAOYSA-N 251.246 -0.420 10 10 CBCE O=C(CN1CCOC[C@H](O)C1)c1ccc(O)c(O)c1 399874471 CZGCCIHSUDQOFP-SNVBAGLBSA-N 267.281 -0.026 10 10 CBCE Cc1ccc(O)c(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 693452430 DYSOQNOVVCWXLU-GHMZBOCLSA-N 277.324 -0.281 10 10 CBCE [N-]=[N+]=NCCCN1CCN[C@H]2CS(=O)(=O)C[C@@H]21 2006173065 XJHPYWLUZGUYOG-IUCAKERBSA-N 259.335 -0.242 10 10 CBCE C[C@H](CN)NS(=O)(=O)CCOc1ccc(N)cc1 2071663402 FFNCLHJXIKKZFV-SECBINFHSA-N 273.358 -0.086 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@@H]1COC[C@@H]1O 2099402432 IWFCCLOQIMJOHS-NEPJUHHUSA-N 265.313 -0.684 10 10 CBCE Cc1cc(N2CC3(C2)OC[C@H](O)[C@@H]3O)ccc1CN 2127250715 JRFIHECVWSKTAF-STQMWFEESA-N 264.325 -0.235 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H](O)C[C@@H](O)C3)cc21 2161355085 RDJBNPQUEUPMEA-CWSCBRNRSA-N 277.324 -0.405 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1 2174706337 SGFBVUYDZSIYIY-PTEHBNRSSA-N 296.348 -0.193 10 10 CBCE C[C@@H](O)CN(CCN)C(=O)Cc1ccc(O)c(O)c1 2269793373 KBWYQOLMVBOGOY-SECBINFHSA-N 268.313 -0.192 10 10 CBCE CN1CCN(CC(=O)N(C)c2ccc(N)cc2)C(=O)C1=O 61797509 ZLCSJLIZJMAYRJ-UHFFFAOYSA-N 290.323 -0.468 10 10 CBCE CCS(=O)(=O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 233808716 WHWPFDRQVWKWLD-QMMMGPOBSA-N 288.325 -0.567 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CNC[C@@H]1O 234310337 AALKDLQKGPHANN-KWQFWETISA-N 252.270 -0.498 10 10 CBCE CN(C)c1ccc(CNC(=O)CN2CC(=O)NC2=O)cc1 264696343 AYFQVIRUXRKKOX-UHFFFAOYSA-N 290.323 -0.079 10 10 CBCE O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1CO 317432291 LPSCBYQLZDJANZ-BXKDBHETSA-N 268.269 -0.124 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1CCCNC1=O 691527328 UGKNKNHJBTUACX-LBPRGKRZSA-N 276.340 -0.165 10 10 CBCE Cc1ccc(O)c(CNC(=O)CCNC(=O)CO)c1 913000644 PURYZFIPHKCMAN-UHFFFAOYSA-N 266.297 -0.185 10 10 CBCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnn(C)n1 1447559180 AVMVGDRNAINFMB-ZETCQYMHSA-N 277.284 -0.018 10 10 CBCE COC[C@H](NC(=O)c1cccc(O)c1O)c1nn[nH]n1 1558339648 ITIAHMXBOGIQIJ-ZETCQYMHSA-N 279.256 -0.272 10 10 CBCE COC[C@H](NC(=O)c1ccc(O)c(O)c1)C(N)=O 2034946649 GYQDKLBVHVKDFF-ZETCQYMHSA-N 254.242 -0.672 10 10 CBCE C[C@@H](N)[C@H](O)C(=O)NCCc1ccc(O)c(O)c1 2056844428 MKCFTPFBIKUEQU-HQJQHLMTSA-N 254.286 -0.535 10 10 CBCE OCC(CO)(CO)CNCc1cccc(F)c1O 2059276210 ZRPQTIIMJHEZQR-UHFFFAOYSA-N 259.277 -0.416 10 10 CBCE N[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1CO 2122380020 YPKQAHFBEGLTPN-NXEZZACHSA-N 266.297 -0.121 10 10 CBCE O=C1Nc2cc(N3CCC[C@@H]3[C@@H](O)CO)ccc2[C@@H]1O 2179743320 ONRHAWNOJGROBB-AGIUHOORSA-N 278.308 -0.006 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H](O)C[C@H](O)C3)cc21 2183269908 QGTFWSUXVOWQAT-KWBADKCTSA-N 278.308 -0.372 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@]23CNC[C@H]2C3)cc1 2238875394 STGBAJFDOXZFNH-MFKMUULPSA-N 297.380 -0.071 10 10 CBCE CN(C[C@@]1(O)CCNC1)C(=O)c1cccc(O)c1O 97909500 PGAFFXYZXCKCPI-CYBMUJFWSA-N 266.297 -0.106 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCc2cccnc2)C1=O 169995717 GMHLFAAFDBDRQA-VIFPVBQESA-N 262.269 -0.793 10 10 CBCE COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 234570633 AXXGRLLMDKUTEB-DTWKUNHWSA-N 281.264 -0.154 10 10 CBCE NC(=O)N[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723173627 MFMUKWYINFTXLD-CPCISQLKSA-N 275.312 -0.115 10 10 CBCE O=C(C(=O)N1C[C@@H]2C[C@H]1CN2)N1Cc2cccc(O)c2C1 1329505781 ZKNSKEQSVRSVTH-QWRGUYRKSA-N 287.319 -0.193 10 10 CBCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)CCCN1 1594240227 JMBDSTGAHHVILN-UHFFFAOYSA-N 264.281 -0.011 10 10 CBCE NC[C@H]1COC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2036604012 YDQHZHNJLDMJHP-YUMQZZPRSA-N 253.258 -0.804 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CNC[C@@H]1O 2087727176 OQXXWAPJFKRDPZ-CABZTGNLSA-N 266.297 -0.663 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1COCCN1 2087729092 JURZFGUDPITZAX-SNVBAGLBSA-N 266.297 -0.255 10 10 CBCE COC[C@H](NCc1cc2c(cc1O)OCO2)C(N)=O 2096065769 ORCGOTDHDYNILR-QMMMGPOBSA-N 268.269 -0.289 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2136288298 UXYGLOCUHWZVEZ-GIMBAOAISA-N 271.288 -0.218 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COC[C@@H]1C(=O)O 2144030573 PUHWKDCYIYWHNG-DTWKUNHWSA-N 281.264 -0.144 10 10 CBCE CN[C@@H]1COC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2148003916 LNYYOEPVMOYLNF-GHMZBOCLSA-N 280.324 -0.009 10 10 CBCE O=C(O)C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188867964 JXJZBAFAAKYBGV-RXMQYKEDSA-N 285.208 -0.539 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2C[C@H](N)[C@H](O)C2)cc1 2191650391 QOZIRVXKAMUNHM-JIMOISOXSA-N 279.340 -0.138 10 10 CBCE C[C@]1(C(=O)O)COCCN1C(=O)c1cc(O)nc(O)c1 2201204789 QBQQMHYTINMVSD-GFCCVEGCSA-N 282.252 -0.192 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CO 2232104427 KOYXPXRIKMZZDH-IGJVIKARSA-N 267.325 -0.049 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2CC(O)(CO)C2)cc1 2269144318 LTNYDMPUQHCAFN-UHFFFAOYSA-N 286.353 -0.426 10 10 CBCE Cn1c(O)cc(=O)n(C(=O)Cc2ccc(N)cc2)c1=O 2280524471 AVJRZJAWXOVMEC-UHFFFAOYSA-N 275.264 -0.282 10 10 CBCE N[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2COC[C@@H]21 2356975301 QRUHFQRUWOHUNL-HRDYMLBCSA-N 280.280 -0.399 10 10 CBCE N[C@@H](c1nnc([C@H](O)CO)o1)c1cccc(O)c1O 83494127 ADDKORRWDYMEHD-HTQZYQBOSA-N 267.241 -0.445 10 10 CBCE COC(=O)[C@H](CO)NC(=O)COc1ccc(N)cc1 1876433509 CJSVVMHXHAUUJE-JTQLQIEISA-N 268.269 -0.702 10 10 CBCE N[C@@H]1CC[S@@](=O)(=NC(=O)c2cc(O)nc(O)c2)C1 2036856178 PZHNLSCVYLTLBJ-MDTSDYNXSA-N 271.298 -0.168 10 10 CBCE CON(C(=O)c1cc(O)nc(O)c1)[C@@H]1CCNC1 2055879471 YYYIIHPUXNZLKD-MRVPVSSYSA-N 253.258 -0.142 10 10 CBCE Nc1ccc(OCc2cn(C[C@H](O)CO)nn2)cc1 2122750531 BBTZBUYKGIETOB-NSHDSACASA-N 264.285 -0.208 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(F)cc2O)[C@H](O)[C@@H]1O 2139879029 PYMAPQMERFRNSE-ZDAZMGEQSA-N 271.288 -0.277 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(F)c1F 2146327947 BLYUVUZNGNTCNP-GHMZBOCLSA-N 288.294 -0.018 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)OCC12CC2 2183961808 CASZUBQHSZYRMP-VIFPVBQESA-N 280.280 -0.141 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](O)C3)c(F)cc2[C@H]1O 2188679665 KCWKKNVRQUFZEP-SDDRHHMPSA-N 282.271 -0.257 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2COC[C@@H]12 2188919923 QRUHFQRUWOHUNL-DJLDLDEBSA-N 280.280 -0.399 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)C[C@@H]3CO)ccc21 2200827435 DRVGBTOITOGIFA-BREBYQMCSA-N 277.324 -0.040 10 10 CBCE Nc1ccc(CCN2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2311714519 AQUVAYXANPTDHQ-UPJWGTAASA-N 252.314 -0.790 10 10 CBCE O=C(NCCOC1CNC1)c1ccc(O)c(O)c1 2315505802 INWJHTZFWAWTQH-UHFFFAOYSA-N 252.270 -0.184 10 10 CBCE CCOC(=O)[C@H](N)C(=O)NCc1ccccc1O 228421460 HZOQJUCGYFRKRX-SNVBAGLBSA-N 252.270 -0.101 10 10 CBCE O=C([C@H]1CNc2ccccc2N1)N1CC[C@](O)(CO)C1 314453708 UALLUINKRBMZMP-TZMCWYRMSA-N 277.324 -0.152 10 10 CBCE CN(CCO)CCN(C)C(=O)c1cc(O)nc(O)c1 701030323 OKUHUZHWCBHKIN-UHFFFAOYSA-N 269.301 -0.511 10 10 CBCE NC(=O)C[S@@](=O)C[C@H](O)COc1ccc(N)cc1 722445648 VLRXYJXIDMPNOX-LZVRBXCZSA-N 272.326 -0.758 10 10 CBCE O=C1N[C@H](C(=O)NCc2ccc(O)c(O)c2)CO1 860243213 GWMANVXGUDUCAY-ZETCQYMHSA-N 252.226 -0.178 10 10 CBCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(O)cc1O 1630301648 FMENZKDTKCRVRS-QMMMGPOBSA-N 279.252 -0.688 10 10 CBCE COC[C@H](NCc1ccc(OC)cc1O)C(N)=O 2034942091 WKIWQLIWXFXSLR-JTQLQIEISA-N 254.286 -0.009 10 10 CBCE N[C@@H]1C[C@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 2049116332 HMPJVEFUXAMBPM-SFYZADRCSA-N 253.258 -0.973 10 10 CBCE OCC(CO)(CO)CNCc1cccc(O)c1O 2059274229 ICFPGYBVOGYREZ-UHFFFAOYSA-N 257.286 -0.849 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1CN2 2068624272 NTBUFFMKMPCQDZ-SFYZADRCSA-N 250.254 -0.010 10 10 CBCE CN(C)C[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2132349481 DIZNKUDCNQLKKO-QMMMGPOBSA-N 270.285 -0.544 10 10 CBCE CN1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O 2132350143 LASVWQWKHKHZLV-ZETCQYMHSA-N 266.253 -0.236 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1c(O)cccc1F 2136101284 KFCAYPHKTAVOPL-VWYCJHECSA-N 271.244 -0.478 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@@H]2CNC[C@H]21 2188921699 CUEGAYWWBJACBH-LDYMZIIASA-N 280.280 -0.384 10 10 CBCE [N-]=[N+]=NCCNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(=O)O 2218735704 QUFBCOQMWQWTNO-NTSWFWBYSA-N 276.274 -0.842 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)C[C@H](CO)C1 2236629189 OFAWNFGSLDSYMS-IUCAKERBSA-N 282.296 -0.444 10 10 CBCE C[C@@H](O)CN(CCO)C(=O)COc1ccc(N)cc1 311846207 HSSXKWMAJDNAOS-SNVBAGLBSA-N 268.313 -0.151 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN1 384847593 YXZJLAYEIWNFEW-BDAKNGLRSA-N 280.280 -0.428 10 10 CBCE Cc1ccc(C(=O)N2CC(S(N)(=O)=O)C2)c(O)c1O 1629720595 AOQOFFQTCFKURA-UHFFFAOYSA-N 286.309 -0.481 10 10 CBCE Cc1ccc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c(O)c1 1665359649 OPELKARCVAEBHL-GHMZBOCLSA-N 277.324 -0.281 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCNC[C@@H]2O)cc1 1876432542 UTUQVFHGSBZGCI-NEPJUHHUSA-N 265.313 -0.513 10 10 CBCE Nc1ccc(CN2CCOC[C@H]2[C@@H](O)CO)cc1 2029654095 JIELAXLDGGTCLH-STQMWFEESA-N 252.314 -0.177 10 10 CBCE Cc1ccc(O)c(CNCCCNS(N)(=O)=O)c1 2039814861 ZDWWSLSXCMGGIK-UHFFFAOYSA-N 273.358 -0.027 10 10 CBCE COC1(CNC(=O)c2cc(O)nc(O)c2)CNC1 2040149234 JYXWVQJHAVNFPY-UHFFFAOYSA-N 253.258 -0.789 10 10 CBCE NC(=O)NCCCNC(=O)c1ccc(O)c(O)c1 2048859383 GHXGXVZOGGWIQE-UHFFFAOYSA-N 253.258 -0.114 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 2118020564 YCKADPWDTBYHGV-DIYOJNKTSA-N 281.337 -0.177 10 10 CBCE Nc1ccc(CC(=O)N2CC3(CNC(=O)N3)C2)cc1 2121211826 TXGNDOFTTREYPU-UHFFFAOYSA-N 260.297 -0.295 10 10 CBCE CO[C@@H]1C[C@@H](NC(=O)c2cc(O)nc(O)c2)C[C@H]1O 2130695572 QHGQXUCPNHJGCU-DJLDLDEBSA-N 268.269 -0.239 10 10 CBCE O=C(NC[C@H]1CNCCO1)c1cc(O)c(O)c(O)c1 2132402564 ZHVPZGVSKSANMO-MRVPVSSYSA-N 268.269 -0.478 10 10 CBCE NC[C@H]1COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132410696 PCJKBFDHWAQUPN-JGVFFNPUSA-N 268.269 -0.493 10 10 CBCE NCc1ccc2c(c1)CCN2[C@@H]1CS(=O)(=O)C[C@@H]1O 2133389324 DURBXKMHJVPARI-OLZOCXBDSA-N 282.365 -0.334 10 10 CBCE Cc1ccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)c(O)c1 2139756196 PXWMSRCOSJWSSK-RFHZTLPTSA-N 267.325 -0.107 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H](O)C[C@H](O)C3)cc21 2183269210 RDJBNPQUEUPMEA-KWBADKCTSA-N 277.324 -0.405 10 10 CBCE CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913598 UAODBLSPPHXNBL-KWQFWETISA-N 282.296 -0.138 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CCN1Cc1ccc(F)cc1O 2204623973 GIARTEUOVCRKHB-ZMLRMANQSA-N 285.271 -0.088 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]2[C@@H](O)CO)cc1 2270710198 KWWRRODGIJMGLU-NEPJUHHUSA-N 286.353 -0.474 10 10 CBCE COc1cccc(CNC(=O)Cn2cn[nH]c2=O)c1O 188778584 WSDKRQXPZKNHBN-UHFFFAOYSA-N 278.268 -0.398 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)C(CO)CO 381302836 BBCKUIGGWZFIJZ-NSHDSACASA-N 251.286 -0.572 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1COC[C@@H]1O 708734517 JGAMCAJLIXEUGQ-KCJUWKMLSA-N 253.254 -0.071 10 10 CBCE CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1447552477 COPBGDNIJNQUSZ-LBPRGKRZSA-N 294.307 -0.386 10 10 CBCE O=C(O)C1([C@H](O)c2ccc(O)c(O)c2O)CNC1 1951519865 JMFKFMJSNOBFKY-SECBINFHSA-N 255.226 -0.489 10 10 CBCE COC1CN(S(=O)(=O)NCCc2ccc(N)cc2)C1 2105626982 QOXWQAIMEWBBBX-UHFFFAOYSA-N 285.369 -0.024 10 10 CBCE NCC1(C(=O)NCCc2ccc(O)c(O)c2)COC1 2131421617 GROIDWZCJQRFGO-UHFFFAOYSA-N 266.297 -0.268 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(F)c1F 2146327948 BLYUVUZNGNTCNP-MNOVXSKESA-N 288.294 -0.018 10 10 CBCE NCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)c(F)c1 2166790150 COVMSXIAQKNPPG-UWVGGRQHSA-N 278.287 -0.912 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@@]2(O)CCNC2)cc1 2191754980 ATQOTRPQSNUPOQ-CQSZACIVSA-N 279.340 -0.122 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)ccc1[C@@H](C)O 2269692425 VWXBXZGEZXECBI-HYNSBDGHSA-N 267.325 -0.049 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)[C@H]2COC[C@H]21 2354373621 CCJCBYRGDJJBRQ-OPQQBVKSSA-N 279.292 -0.142 10 10 CBCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1F 395318438 KCZBAUMZDXPXLW-AOOOYVTPSA-N 263.272 -0.007 10 10 CBCE CNC(=O)CN1CCN(Cc2cc(N)ccc2O)CC1 700818385 LFEMDTDCYJZEFQ-UHFFFAOYSA-N 278.356 -0.162 10 10 CBCE CN(CCNC(=O)c1cccc(O)c1O)S(C)(=O)=O 709564353 ZDZJKYAAFVDVSW-UHFFFAOYSA-N 288.325 -0.281 10 10 CBCE NC(=O)c1nccnc1C(=O)NCc1ccc(O)cc1O 1469161337 YJMZMVVNYQRQGC-UHFFFAOYSA-N 288.263 -0.083 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CCN2)cc1 1876415970 PQIDMRDEIAEITI-LLVKDONJSA-N 285.369 -0.071 10 10 CBCE O=C(NCc1ccccc1O)[C@@]1(O)CCNC[C@@H]1O 1890422163 PRJFZFLPWQUIEF-WCQYABFASA-N 266.297 -0.906 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2081009663 PTRUHHNAZRIZEB-GRYCIOLGSA-N 256.277 -0.813 10 10 CBCE Cn1c(=O)n(C)n(CCOc2ccc(N)cc2)c1=O 2099675237 BKLSVIISXTWTGC-UHFFFAOYSA-N 264.285 -0.453 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)C[C@@H]1CO 2200829745 KXSBBPHRFVJQNE-BDAKNGLRSA-N 283.280 -0.239 10 10 CBCE C[C@@H](N)c1nnc(COc2nnc(=N)[nH]n2)s1 2213785198 JVEJHNCULSREPW-GSVOUGTGSA-N 254.279 -0.871 10 10 CBCE COc1ccc(N2CC(O)(C(N)=O)C2)cc1OC 2219648101 WDMHMEUAJIKMLG-UHFFFAOYSA-N 252.270 -0.260 10 10 CBCE C[C@@H](O)CN(CCN)C(=O)c1cc(O)nc(O)c1 2257703763 CHPISJDXWABCTH-SSDOTTSWSA-N 255.274 -0.726 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]2[C@@H]1CO 2311378288 USTCEAJVASHEKD-HLTSFMKQSA-N 250.254 -0.054 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2[C@H]1O 2328976650 HZQAZMUONQFSLR-GMTAPVOTSA-N 268.244 -0.647 10 10 CBCE COc1cccc(CNC(=O)CCNC(=O)CO)c1O 1137473160 APEPYNKHTAWFBA-UHFFFAOYSA-N 282.296 -0.484 10 10 CBCE Cc1ccc(O)c(CNC(=O)Cn2nnc(N)n2)c1 1557553300 UMFSIZKBBWXVDP-UHFFFAOYSA-N 262.273 -0.414 10 10 CBCE Cn1cnnc1[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1641931615 XWDKUUBPTYDNBY-SECBINFHSA-N 292.295 -0.381 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 1860080548 JEIVHTIGHWJJMC-VIFPVBQESA-N 282.252 -0.308 10 10 CBCE CO[C@H]1CNCC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049787034 SKMJXGUERGYJOI-GMOBBJLQSA-N 254.330 -0.124 10 10 CBCE O=C(N[C@@H]1CCONC1)c1cc(O)c(O)c(O)c1 2068624593 QSLXMOLFVONJKH-SSDOTTSWSA-N 254.242 -0.173 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCO[C@@H]1C(N)=O 2117474858 ZGINKZGMUGGLJO-SCZZXKLOSA-N 264.285 -0.578 10 10 CBCE O=C(NCC1(C(=O)O)COC1)c1ccc(O)c(O)c1 2131341054 OIWYRFWSQYCJOD-UHFFFAOYSA-N 267.237 -0.071 10 10 CBCE NCCCOCCNC(=O)c1cc(O)c(O)c(O)c1 2132408224 VGAXMVPBHGWMFO-UHFFFAOYSA-N 270.285 -0.101 10 10 CBCE O=C(N[C@@H]1CCn2nnnc2C1)c1ccc(O)c(O)c1 2175911270 BNZNLECCPZZBIG-MRVPVSSYSA-N 275.268 -0.171 10 10 CBCE O=C(N=c1[nH][nH]cc1C(=O)O)c1cc(O)c(O)c(O)c1 2188874207 FCCYCTXKGRZAEM-UHFFFAOYSA-N 279.208 -0.101 10 10 CBCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2201000812 AFCLXLVJPRULII-GOGQMOAUSA-N 289.278 -0.079 10 10 CBCE NC(=O)[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2268353494 TZQOYDNBASTPPP-RKDXNWHRSA-N 264.281 -0.122 10 10 CBCE Nc1ccc(OCC(=O)N2CCOC3(CNC3)C2)cc1 2288564212 JOICSAAQTBZLHV-UHFFFAOYSA-N 277.324 -0.152 10 10 CBCE CS(=O)(=O)C1(C(=O)O)CN(Cc2ccc(N)cc2)C1 2351729731 VKUNRFSDPIXLHQ-UHFFFAOYSA-N 284.337 -0.048 10 10 CBCE NC(=O)OCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 135226624 IUKMSDYSLQYSPC-QMMMGPOBSA-N 283.284 -0.821 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN2C(=O)NC[C@H]2C1 226998720 ZUDRUDFYJCCIFU-VIFPVBQESA-N 277.280 -0.053 10 10 CBCE NC(=O)[C@@]1(O)CCCN(CCOc2ccc(N)cc2)C1 380472341 JDEUIXJERMHNBD-CQSZACIVSA-N 279.340 -0.040 10 10 CBCE CC(=O)C(=O)COC(=O)Cn1ccc(C)cc1=O 808543194 PXZNWLGXFZKLEQ-UHFFFAOYSA-N 251.238 -0.142 10 10 CBCE C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1611578809 VRTYPLYDPXCGOF-QMMMGPOBSA-N 264.281 -0.013 10 10 CBCE Nc1ccc(OCC(=O)N[C@H](CC(=O)O)C(=O)O)cc1 1860080547 JEIVHTIGHWJJMC-SECBINFHSA-N 282.252 -0.308 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N(CCO)C3COC3)cc21 1915545515 MELFNLGRSLUMMQ-CYBMUJFWSA-N 277.324 -0.140 10 10 CBCE O=C(N[C@@H](CO)CCCO)c1ccc(O)c(O)c1 2029927412 IYBGIBDQCNREFS-SECBINFHSA-N 255.270 -0.039 10 10 CBCE NC[C@H]1COCCN1C(=O)c1cc(O)nc(O)c1 2035626741 XWZBAXAMYRVPEB-QMMMGPOBSA-N 253.258 -0.708 10 10 CBCE C[C@H](NCCNS(N)(=O)=O)c1cc(O)ccc1O 2039813768 NWOHKDUPRFBWKQ-ZETCQYMHSA-N 275.330 -0.459 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCOC[C@H]1O 2046421378 HNMAUSNTGUVAJZ-VHSXEESVSA-N 251.286 -0.071 10 10 CBCE Cc1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)c1 2136097627 XUPBCTLPPUHKRB-TUAOUCFPSA-N 267.281 -0.309 10 10 CBCE CN1CCc2cc([C@H](O)[C@@H](N)c3nnnn3C)ccc21 2148168074 HFKGBHFABQILMF-NEPJUHHUSA-N 274.328 -0.064 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@]1(O)CCOC1 2169654208 LJTIXSGKBQEDQR-AWEZNQCLSA-N 279.340 -0.293 10 10 CBCE O=C(NCCN1CCNC1=O)c1cc(O)c(O)c(O)c1 2188925422 WHQAVHCULLALRA-UHFFFAOYSA-N 281.268 -0.442 10 10 CBCE C[C@H](N)c1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1O 388899720 KUOJCTZICGFFNQ-SDBXPKJASA-N 265.313 -0.162 10 10 CBCE NC(=O)CONS(=O)(=O)Cc1ccc(N)cc1 2017000085 SURBOJILDOZOHA-UHFFFAOYSA-N 259.287 -0.895 10 10 CBCE O=C(N[C@@H]1CNCCOC1)c1ccc(O)c(O)c1 2034727263 YRBXRQHZVSCGMV-SECBINFHSA-N 252.270 -0.184 10 10 CBCE CCn1nnc([C@H](NCCN=[N+]=[N-])C(=O)OC)n1 2077193514 AZJQPNILUCABJD-LURJTMIESA-N 254.254 -0.193 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 2105109942 DOFVIEICTSAKBV-PHIMTYICSA-N 266.297 -0.398 10 10 CBCE CO[C@@H]1COC[C@H]1N(CC(N)=O)Cc1ccc(N)cc1 2146756628 OKCYUELTNANTEG-CHWSQXEVSA-N 279.340 -0.030 10 10 CBCE NC(=S)[C@@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188915542 JBBMLJGOUGLVSL-ZETCQYMHSA-N 298.320 -0.070 10 10 CBCE Cc1cc([C@@H](C)N)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CO 2232102843 QSTXXHLHNVGECQ-QQUHWDOBSA-N 266.341 -0.083 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1COCCO1 40469047 BLGRXJMESHYLFC-MNOVXSKESA-N 296.323 -0.501 10 10 CBCE O=C(Cn1cn[nH]c1=O)NCCc1ccc(O)c(O)c1 180589262 JAKSJCOWZCTCDQ-UHFFFAOYSA-N 278.268 -0.659 10 10 CBCE CO[C@@H]1CNC[C@@H]1S(=O)(=O)NCc1ccccc1O 722218983 ISFHGWARGRLZDW-NEPJUHHUSA-N 286.353 -0.202 10 10 CBCE Nc1ccc(CCNS(=O)(=O)c2nc[nH]n2)cc1 2058725337 LBDJLNAGYFVXLS-UHFFFAOYSA-N 267.314 -0.092 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H]1CN2 2068624273 NTBUFFMKMPCQDZ-YUMQZZPRSA-N 250.254 -0.010 10 10 CBCE O=C(NC[C@H]1CNCCOC1)c1cc(O)nc(O)c1 2102332329 GVPNKQJRUIRUHC-MRVPVSSYSA-N 267.285 -0.541 10 10 CBCE O=C(N[C@H](C(=O)O)C1COC1)c1ccc(O)c(O)c1 2104892973 SSEGKXBEIMVOJK-JTQLQIEISA-N 267.237 -0.073 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O)c1c(O)cccc1O 2108833794 ZKCFLIMAFMQIHQ-BJGNRHFWSA-N 269.297 -0.397 10 10 CBCE NCc1ncc(NC(=O)c2cc(O)nc(O)c2)cn1 2134932229 FYTWHOJMUGGANC-UHFFFAOYSA-N 261.241 -0.006 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@H](O)[C@@H]1CF 2140657466 GHSKHBXEYFQASH-BKDNQFJXSA-N 271.244 -0.387 10 10 CBCE COC[C@@](O)(CO)CNC(=O)Cc1ccc(O)c(O)c1 2158615487 HUMVROMIWTVYPP-ZDUSSCGKSA-N 285.296 -0.874 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1C(=O)Nc1ccc(N)cc1 2184136956 LOTKMYXFUGQFBQ-VIFPVBQESA-N 277.284 -0.914 10 10 CBCE OCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(F)c1 2225726476 KSZVDKBODJBLST-QWHCGFSZSA-N 271.288 -0.388 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)C2CN(C3CCNCC3)C2)C1 2286846636 MXALUINXBVFLON-UMSPYCQHSA-N 279.384 -0.064 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(C)c1 2312393989 WBZBEZAABTWGMS-XQQFMLRXSA-N 253.298 -0.094 10 10 CBCE COCC1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 384163949 RZNJTLXNUWGOAU-LLVKDONJSA-N 263.297 -0.164 10 10 CBCE C[C@@H](NC(C(N)=O)C(N)=O)c1ccc(F)cc1O 695356771 YSAGFXGMUWCETM-RXMQYKEDSA-N 255.249 -0.479 10 10 CBCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1nnn(C)n1 697215748 PBZUOQYAYCXPHD-ZCFIWIBFSA-N 254.254 -0.286 10 10 CBCE CS(=O)(=O)N1CC(NC(=O)c2cccc(O)c2O)C1 1148219864 COQFJOFRILAACT-UHFFFAOYSA-N 286.309 -0.529 10 10 CBCE CN[C@@H](C)c1ccc(N2CC(O)(C(N)=O)C2)cc1O 1915248107 ALBURLFUKJETSD-QMMMGPOBSA-N 265.313 -0.291 10 10 CBCE COC(=O)[C@H](N)[C@H](OC)c1cc(O)c(O)c(O)c1 1952305609 AYPJCILVXGPXJE-PSASIEDQSA-N 257.242 -0.009 10 10 CBCE O=C(N[C@]1(CF)CCNC1)c1cc(O)nc(O)c1 2040512381 ZKUTZXRFCYOESG-NSHDSACASA-N 255.249 -0.076 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1COC[C@H]1CO 2046435659 JGKIGZOKYPBKSQ-XCBNKYQSSA-N 251.286 -0.213 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2080928055 WXHBZIPHJWNNMX-WOPDTQHZSA-N 273.716 -0.265 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(F)c1 2090135761 JTDLZGUOJCEOCS-OLZOCXBDSA-N 270.304 -0.157 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2105076648 YASYBRRJNVDNSS-VDDIYKPWSA-N 263.297 -0.430 10 10 CBCE CS(=O)(=O)c1ccc(Nc2nnc(=N)[nH]n2)cc1 2219016813 GRCKSVATFNBUIB-UHFFFAOYSA-N 266.286 -0.174 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2311709557 LQZPPWKAFFHXFR-UPJWGTAASA-N 252.314 -0.691 10 10 CBCE CSc1cc(N(CC(N)=O)CC(N)=O)ccc1CN 2353859834 KEJUGEFVYVBRPE-UHFFFAOYSA-N 282.369 -0.356 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCC(=O)N1 79947246 DMJJPXQHWIIHTN-UWVGGRQHSA-N 293.323 -0.638 10 10 CBCE C[C@H](O)CNC(=O)[C@H](N)c1cc([N+](=O)[O-])ccc1O 83512706 LPSAJYSWYAKMGG-QUBYGPBYSA-N 269.257 -0.203 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1CCOc1ccc(N)cc1 97290153 GGZUFPTUGAWTNB-VIFPVBQESA-N 263.297 -0.006 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCC[C@H]1O 323236128 VFBVEMSAFSHIEM-GARJFASQSA-N 280.324 -0.003 10 10 CBCE CN([C@@H]1COC[C@H]1O)S(=O)(=O)Cc1ccc(N)cc1 709316082 GPXPBLFIMVCVAB-VXGBXAGGSA-N 286.353 -0.210 10 10 CBCE C[C@H](C(N)=O)N(C)c1cc2c(cc1N)OCC(=O)N2 711139982 RBTDPALYLKDKLE-ZCFIWIBFSA-N 264.285 -0.090 10 10 CBCE O=C(CCn1cnnn1)NCc1cc(O)ccc1O 1637130196 XNWIGNILGIHEFC-UHFFFAOYSA-N 263.257 -0.209 10 10 CBCE CO[C@@H]1CNC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2049782509 JSUHVLMBVVHXKX-DBIOUOCHSA-N 254.330 -0.124 10 10 CBCE N[C@@H]1C[C@H](O)[C@@H](CNC(=O)c2cc(O)nc(O)c2)C1 2096495218 LGCJAPQPYGBPCJ-VGMNWLOBSA-N 267.285 -0.679 10 10 CBCE C[C@H]1CNC(=O)CN1S(=O)(=O)Cc1ccc(N)cc1 2124747217 KUAPEGQMYBGAOQ-VIFPVBQESA-N 283.353 -0.081 10 10 CBCE Cc1cc(CO)ccc1N1CCN(C[C@H](O)CO)CC1 2178034526 GTDXVBLGEULSKQ-AWEZNQCLSA-N 280.368 -0.037 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1 2188671433 DMFLNSZKGGIJJV-OLZOCXBDSA-N 280.324 -0.008 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2273805153 IIRJWAWXVSIMQN-HJIKLVIJSA-N 271.288 -0.015 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@](O)(C(=O)O)C1 386711288 XBWLBPUSTTWUTJ-NSHDSACASA-N 268.225 -0.846 10 10 CBCE Nc1ccc(CCC(=O)N2CCNC[C@H]2CO)cc1 1876477516 KQMJZGADVKYSDJ-ZDUSSCGKSA-N 263.341 -0.006 10 10 CBCE O=[N+]([O-])c1ccc(O)c([C@@H]2CS(=O)(=O)NCCN2)c1 1952452454 LKLSDAAFPCZECX-VIFPVBQESA-N 287.297 -0.136 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2[C@H](O)C[C@H]2C1 2033976314 CLHPNKKNWJQJPU-DJLDLDEBSA-N 250.254 -0.054 10 10 CBCE Cn1cc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)nc1CN 2059041805 IMXBXGDJUOXYDM-ZKCHVHJHSA-N 250.302 -0.242 10 10 CBCE COC(=O)[C@H](CO)NC(=O)Nc1ccc(N)cc1 2071558967 UAFOBWPEHWSEJI-VIFPVBQESA-N 253.258 -0.076 10 10 CBCE COCC1(N)CC(NC(=O)c2cc(O)nc(O)c2)C1 2096563110 VNZQZOCRGSLHDP-UHFFFAOYSA-N 267.285 -0.271 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4N)C[C@H]21 2201283999 JKQIUDGSUMYMOJ-LLHIFLOGSA-N 272.308 -0.194 10 10 CBCE COc1ccc(N2CCN(CC(N)=O)CC2)c(CO)c1 2235999263 HNOLTPLSJMWIIT-UHFFFAOYSA-N 279.340 -0.205 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)ccc21 102454546 HEIBCMDNBVARCR-LLVKDONJSA-N 281.337 -0.127 10 10 CBCE C[C@@H](O)[C@@H](NC(=O)Cc1ccc(N)cc1)C(N)=O 108261212 FMTUIYMJHZNQGU-RDDDGLTNSA-N 251.286 -0.838 10 10 CBCE C[C@@](CO)(NC(=O)c1ccc(O)c(O)c1)C(=O)O 313518313 JRZZVJCGHLJEPB-NSHDSACASA-N 255.226 -0.337 10 10 CBCE C[C@@](O)(CO)CNC(=O)/C=C/c1ccc(O)c(O)c1 801974029 MBUJFXUUGYAWPN-LQPUYASZSA-N 267.281 -0.030 10 10 CBCE NC(=O)N=Nc1ccc(C(=O)NC(CO)CO)cc1 1630873800 JVBRDLOJKDQVII-UHFFFAOYSA-N 266.257 -0.068 10 10 CBCE CN(C)CCNC=C1SC(=S)N(CC(=O)O)C1=O 1951311449 NQTAPTNESUUJDH-UHFFFAOYSA-N 289.382 -0.076 10 10 CBCE O=C(CNCCO)NCCc1ccc(O)c(O)c1 2049623071 VWJIQSPGSCUQEL-UHFFFAOYSA-N 254.286 -0.662 10 10 CBCE O=C(NCc1ccccc1O)[C@H](F)C1(O)CNC1 2052202655 XGSJCSFXNMDKRU-JTQLQIEISA-N 254.261 -0.319 10 10 CBCE [N-]=[N+]=NCC1CCN(CC(CO)(CO)CO)CC1 2059269243 IAYJCGXGKFEZSG-UHFFFAOYSA-N 258.322 -0.028 10 10 CBCE Nc1ccc(CC(=O)N2NC(=O)C[C@H]2C(=O)O)cc1 2088093398 RYEOVFHAZCZKRJ-VIFPVBQESA-N 263.253 -0.472 10 10 CBCE O=C(NC[C@H]1COCCO1)c1cc(O)c(O)c(O)c1 2132348191 GEYOXXWNYJWWPQ-QMMMGPOBSA-N 269.253 -0.051 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N(C)C3CS(=O)(=O)C3)cc21 2152233964 NUDUIEDGHILHTN-LBPRGKRZSA-N 296.348 -0.070 10 10 CBCE CO[C@H](C(=O)O)C1CN(C(=O)c2cc(O)nc(O)c2)C1 2172351867 HIZNXOUFKTWYDP-JTQLQIEISA-N 282.252 -0.336 10 10 CBCE CC(C)(C)OC(=O)NCCCONc1nnc(=N)[nH]n1 2209173248 QBKCLWNFEJQECU-UHFFFAOYSA-N 285.308 -0.063 10 10 CBCE CCOc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2219580260 RCARXFMRIMPYLH-AGIUHOORSA-N 253.298 -0.012 10 10 CBCE C[C@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCNC1=O 2273257351 SLGRZILHYBOVSZ-LBPRGKRZSA-N 266.253 -0.188 10 10 CBCE O=C1CN(c2ccc3c(c2)OCO3)C[C@@H](C(=O)O)N1 217042509 UUPDUAUAYXPQKE-QMMMGPOBSA-N 264.237 -0.195 10 10 CBCE O=C(NC[C@]1(O)CCNC1)c1ccc(O)c(O)c1 236564595 VFIGSKYGMQASIS-LBPRGKRZSA-N 252.270 -0.448 10 10 CBCE C[C@@H]1CC(=O)NCCN1C(=O)c1cc(O)nc(O)c1 707345373 WOYLFPGRZUKZQS-SSDOTTSWSA-N 265.269 -0.157 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@@H]1COC[C@@H]1O 709330343 KJUVASOQEZDBGG-GRYCIOLGSA-N 263.297 -0.166 10 10 CBCE COC(=O)C1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 714490838 LGZZINOBCWDMCM-SNVBAGLBSA-N 278.264 -0.604 10 10 CBCE COC(=O)[C@@](C)(CO)NC(=O)Cc1ccc(O)c(O)c1 1570233210 OQCVYOWHELXKQY-CYBMUJFWSA-N 283.280 -0.320 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(CCS(=O)(=O)CCC(N)=O)C1 1912156684 PMVWAAQLZWKZHN-MRVPVSSYSA-N 275.334 -0.339 10 10 CBCE C[S@@](=O)(CCN)=NC(=O)c1cc(O)nc(O)c1 1924682620 LMPXSCWAWUWHGW-QGZVFWFLSA-N 259.287 -0.311 10 10 CBCE C[C@H](CS(N)(=O)=O)NC(=O)c1cccc(O)c1O 2035438415 UIDXINXKWUWBFU-ZCFIWIBFSA-N 274.298 -0.495 10 10 CBCE NCCCNS(=O)(=O)CCOc1ccc(N)cc1 2071735632 PFUDVTFFKRRILX-UHFFFAOYSA-N 273.358 -0.084 10 10 CBCE CNC1(C(N)=O)CN(Cc2cc(F)cc(F)c2O)C1 2109489058 JBPUFDZXTOVUKY-UHFFFAOYSA-N 271.267 -0.071 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(Cl)c1 2184134165 BAMZOXVRPXJNMN-LLVKDONJSA-N 296.758 -0.151 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CCCO2 2226669483 UEIZXGXRJAIVSL-YRGRVCCFSA-N 265.309 -0.086 10 10 CBCE COC(=O)[C@]1(NCCN=[N+]=[N-])COC2(COC2)C1 2258402434 ABAPXNPDFMGOIY-SNVBAGLBSA-N 256.262 -0.013 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)[C@H](O)CC1 2284565446 LAUISNSPXUQCDR-RKDXNWHRSA-N 283.280 -0.239 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]3[C@@H](O)CO)ccc21 2286225670 JWAWKQCRUIAOLY-AVGNSLFASA-N 277.324 -0.169 10 10 CBCE COC[C@@H]1C[C@H](CN)N(C(=O)c2cc(O)nc(O)c2)C1 2289496582 OXYFXMQRLCJZQQ-PSASIEDQSA-N 281.312 -0.071 10 10 CBCE COCCNC(=O)CS(=O)(=O)Cc1ccc(N)cc1 58236785 HBXPKOUVWSZUBY-UHFFFAOYSA-N 286.353 -0.054 10 10 CBCE COc1cc(N)c(N2C[C@@H](O)[C@H](O)C2)cc1OC 234913573 ITMDJAOCTVAFNQ-NXEZZACHSA-N 254.286 -0.172 10 10 CBCE CNC(=O)CN1C(=O)Cc2cc(N(C)CC(=O)O)ccc21 259332964 DFGPSQDDCBLVGI-UHFFFAOYSA-N 291.307 -0.158 10 10 CBCE C[C@@H]1[C@](NCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 379882499 BVPYICNHKKQSFW-SVRRBLITSA-N 261.307 -0.683 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)C[C@@H](O)C1 1465710155 AKPOZZFRLOJFKL-OCAPTIKFSA-N 253.254 -0.335 10 10 CBCE C[C@](N)(CO)CNC(=O)CCOc1ccc(N)cc1 1876495410 ONDLUDMTMFAMMS-CYBMUJFWSA-N 267.329 -0.136 10 10 CBCE Oc1cc(Cl)ccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2046513976 KBCHFBSUTTUXGF-NUGNTBJXSA-N 273.716 -0.010 10 10 CBCE NC(=O)[C@@H]1CCN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2089369581 OZLKPQGXQOTRNC-WPRPVWTQSA-N 265.244 -0.125 10 10 CBCE CN(C(=O)Cc1ccc(N)cc1)[C@H]1CC(=O)NC1=O 2114739083 CXABCCCKSUUYGV-JTQLQIEISA-N 261.281 -0.315 10 10 CBCE NC(=O)[C@@H]1C[C@@H](N)CN(C(=O)Nc2ccc(N)cc2)C1 2191534481 AXCWQTJSKAQHNM-PSASIEDQSA-N 277.328 -0.065 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC2[C@H]3CNC[C@H]23)cc1 2191645848 QGDPISHLGHBSSQ-RYUDHWBXSA-N 297.380 -0.215 10 10 CBCE C[C@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C[C@]1(C)O 2194606044 CWOQXVKZBCPDAL-STQMWFEESA-N 282.296 -0.159 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2236145864 BKUJUDMBZOHSFL-BDAKNGLRSA-N 282.304 -0.332 10 10 CBCE O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/NCCO 6025718 VGWKACAKDAPBSE-CSKARUKUSA-N 291.332 -0.100 10 10 CBCE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 168956359 VRFWCZZBPNORGZ-SFYZADRCSA-N 282.252 -0.759 10 10 CBCE CN(C)S(=O)(=O)CCNC(=O)c1ccc(O)c(O)c1 231013751 QVLPLXSJOZPXAT-UHFFFAOYSA-N 288.325 -0.281 10 10 CBCE CN(C[C@H](O)COc1ccc(N)cc1)[C@H]1COC[C@H]1O 709265573 LFYHUBZCPSBTGH-FPMFFAJLSA-N 282.340 -0.300 10 10 CBCE O=C(CO)NCCC(=O)NCCc1ccc(O)c(O)c1 1465981349 KPZGIBIMXGFVKE-UHFFFAOYSA-N 282.296 -0.745 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@@H](N)C1)OCCO2 1876394772 FCVRQQCSBKGPHT-BDAKNGLRSA-N 265.313 -0.062 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NOCCF 2028801297 ZTZDVNNTKUTBCZ-QMMMGPOBSA-N 258.249 -0.015 10 10 CBCE NC(=O)[C@H]1CCN1CC(=O)c1ccc(O)c(O)c1 2028927544 PFOGSKWVDKCREN-MRVPVSSYSA-N 250.254 -0.160 10 10 CBCE Cc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1O 2046512924 AEDKLLGLBOGKFZ-URBCHYCLSA-N 253.298 -0.355 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COC[C@H]2N)cc1 2071690343 PVTFSUVJHQYHMH-MNOVXSKESA-N 271.342 -0.586 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H]2CNC[C@@H]21 2144030612 QEZXFRNPGIRUBE-GWCFXTLKSA-N 278.308 -0.161 10 10 CBCE N[C@H](CCCCNC(=O)c1cc(O)nc(O)c1)C(=O)O 2151566806 XMCDMKPRRMYYGK-MRVPVSSYSA-N 283.284 -0.195 10 10 CBCE Nc1ccc(OCC(=O)N2CC3(CNC(=O)C3)C2)cc1 2176159994 PINUHIIWMLDTFW-UHFFFAOYSA-N 275.308 -0.004 10 10 CBCE Nc1ccc(OCC(=O)N2CCO[C@@H]3CNC[C@@H]32)cc1 2191719888 MZUPFCLQRNXOQK-QWHCGFSZSA-N 277.324 -0.153 10 10 CBCE NCc1noc(C(=O)NCCc2ccc(O)c(O)c2)n1 2285655212 IAFPDXHKOCMXGN-UHFFFAOYSA-N 278.268 -0.088 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(CO)c1 2289482299 BQJLZGJILRSOQA-SWHYSGLUSA-N 283.324 -0.662 10 10 CBCE CN(Nc1nc([C@H](N)C(=O)O)cs1)S(C)(=O)=O 2301555500 RCRBAWYEGJHJJC-YFKPBYRVSA-N 280.331 -0.554 10 10 CBCE C[C@H](O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 51838375 NZVMXSVZYOGBKD-WPRPVWTQSA-N 268.313 -0.193 10 10 CBCE Cn1nnc(CNCc2ccc(O)c(O)c2O)n1 398066965 IAXYWKAIYLZZTO-UHFFFAOYSA-N 251.246 -0.383 10 10 CBCE CN(CCNC(=O)c1ccc(O)c(O)c1)S(C)(=O)=O 709564288 YTMFYOPTMARQII-UHFFFAOYSA-N 288.325 -0.281 10 10 CBCE CC(C)([C@@H](NCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2001811791 RVCITGIUJKXKOB-LURJTMIESA-N 263.323 -0.437 10 10 CBCE COC(=O)[C@@H](N)CCNC(=O)c1cccc(O)c1O 2088538437 ZJBNIHZCQNGWNJ-QMMMGPOBSA-N 268.269 -0.282 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@H](O)C3)ccc2[C@@H]1O 2132171793 HCDAHNWVCGMRBY-TUAOUCFPSA-N 264.281 -0.396 10 10 CBCE CN1[C@@H](Cn2ccc3c(c2=O)CNCC3)CCS1(=O)=O 2150795012 GCBUHTFUYMNAHC-LLVKDONJSA-N 297.380 -0.472 10 10 CBCE COc1cccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c1O 2177945633 UMYMRZNPRGNAPS-DMTCVQMQSA-N 283.324 -0.407 10 10 CBCE COc1cccc(O)c1CN[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O 2177947000 CDRLTYDSGRLVOY-PGOKHVGTSA-N 283.324 -0.407 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)Nc1ccc(N)cc1 2233874566 XTEOAXWLHIPXAT-GRYCIOLGSA-N 281.312 -0.147 10 10 CBCE O=C(O)[C@@H]1CC[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2279203864 RJPBJJRHQTWGRV-YUMQZZPRSA-N 282.252 -0.457 10 10 CBCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)c1nnc[nH]1 110986719 CRTPUTPSRHFUSQ-ZETCQYMHSA-N 292.251 -0.358 10 10 CBCE CO[C@@H]1C[C@H](CO)N(C(=O)c2cc(O)nc(O)c2)C1 311513485 HUGUERLAOQVHCK-RKDXNWHRSA-N 268.269 -0.285 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@H](O)C3)ccc21 399864661 NUJMLVJRCZZSGP-SKDRFNHKSA-N 263.297 -0.164 10 10 CBCE CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(O)cc1O 697271676 YGDDLMZKVUWPHE-PWSUYJOCSA-N 287.337 -0.001 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@@H](O)[C@H]1F 1614606380 PCPGVUKMIADCCP-VOQBNFLRSA-N 286.223 -0.705 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC(OCCO)C1 1965187526 IAPBPUNYOLAEBI-UHFFFAOYSA-N 267.281 -0.140 10 10 CBCE Nc1ccc(O)c(CNS(=O)(=O)c2nc[nH]n2)c1 2058728321 NBIXDVHYRVOWGK-UHFFFAOYSA-N 269.286 -0.429 10 10 CBCE COCC1(NC(=O)c2cc(O)nc(O)c2)CNC1 2070587972 YYYNLDYPQVCMRO-UHFFFAOYSA-N 253.258 -0.789 10 10 CBCE COC[C@](O)(CO)CNCc1c(O)cccc1OC 2104443258 WZLFGUBWPBNUHD-CYBMUJFWSA-N 271.313 -0.140 10 10 CBCE C[C@H]1CNC(=O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132413821 QMRCXIGSAHPDFR-LURJTMIESA-N 266.253 -0.236 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2([C@@H](O)CO)CC2)cc1 2133593987 KJGGHIGMFSHKOP-NSHDSACASA-N 286.353 -0.426 10 10 CBCE NC[C@]1(CO)COCCN1C(=O)Cc1ccc(N)cc1 2191722577 XULQOIBYQMYJLC-AWEZNQCLSA-N 279.340 -0.640 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2260838491 IOSOUSLOZAOVEM-DRZSPHRISA-N 252.314 -0.704 10 10 CBCE [N-]=[N+]=NCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O 231732112 WLCGSOXHFOKFQQ-UHFFFAOYSA-N 252.234 -0.117 10 10 CBCE CN1C(=O)CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1=O 234343515 HWHXDEFTRPAJHY-QMMMGPOBSA-N 278.264 -0.025 10 10 CBCE C[C@H](O)CN(CCO)C(=O)c1cc(O)nc(O)c1 310938903 KNOHADGSXWMYNZ-ZETCQYMHSA-N 256.258 -0.692 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@](O)(C(=O)O)C1 395324062 OBQMLNKLXGELLR-GFCCVEGCSA-N 282.252 -0.456 10 10 CBCE C[C@H](CNCc1cc2c(cc1O)OCO2)S(N)(=O)=O 398226923 GBTXYBIYVNCPSD-SSDOTTSWSA-N 288.325 -0.113 10 10 CBCE CN(Cc1nnnn1C)c1ccc2c(c1)NC(=O)[C@H]2N 707673877 XZPNGWRSCPIOGN-NSHDSACASA-N 273.300 -0.202 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@]1(O)CCOC1 1566369670 PUFXPLZPJMEKBA-ZDUSSCGKSA-N 267.281 -0.092 10 10 CBCE O=C1CC[C@@H](C(=O)NCc2cc(O)ccc2O)N1 1633594919 BMPDHSXSPFXTPN-VIFPVBQESA-N 250.254 -0.007 10 10 CBCE C[C@H](NC(=O)[C@@H]1CNC(=O)CN1)c1ccccc1O 1877577656 DGWMRCMGPOIYDX-WPRPVWTQSA-N 263.297 -0.343 10 10 CBCE NCC12CC(NC(=O)c3cc(O)nc(O)c3)(CO1)C2 1922202695 AEYJNYJTHTZYTG-UHFFFAOYSA-N 265.269 -0.517 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2104420969 GHGXOTZFOOKJPU-GJOTXNKNSA-N 266.253 -0.941 10 10 CBCE CO[C@H]1CNCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926714 AWEPMQIXPRNPEI-KCJUWKMLSA-N 282.296 -0.090 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@@H](N)[C@H](O)C2)cc1 2191635413 QPHSPXJQYCSGAK-RAIGVLPGSA-N 299.396 -0.214 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CNCC[C@H]2CO)cc1 2191651419 YPJGFLUVIKIVNJ-GWCFXTLKSA-N 279.340 -0.266 10 10 CBCE CN1CCN[C@@H](CNC(=O)COc2ccc(N)cc2)C1 2191674015 KQRJGNCTSURSPZ-LBPRGKRZSA-N 278.356 -0.333 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](CO)[C@@H](N)C2)cc1 2191721243 VMDAFZMFDXDSIR-GWCFXTLKSA-N 279.340 -0.184 10 10 CBCE C[C@H](O)c1cc(F)c(N(CC(N)=O)CC(N)=O)c(F)c1 2194515850 HGSYNDDWZNEWAE-LURJTMIESA-N 287.266 -0.205 10 10 CBCE CN(CCO)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40603374 UVTPORYHIMRKKB-SECBINFHSA-N 298.295 -0.273 10 10 CBCE O=C(O)C[C@@H](O)[C@@H]1NCCc2c1cc(O)c(O)c2O 75819355 GJJDTKJNIYKFPP-GMSGAONNSA-N 269.253 -0.174 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC(=O)NC(=O)C3)c(Cl)cc21 118706754 UXCRKYNWIQTHDA-LLVKDONJSA-N 294.698 -0.245 10 10 CBCE NCc1cc(F)c(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 311643452 RYMAESHAQVKPME-LBPRGKRZSA-N 271.267 -0.150 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1CC(CO)(CO)C1 1301719109 LSZKXVPRDODLGX-UHFFFAOYSA-N 281.308 -0.110 10 10 CBCE COCC(=O)N(C)CC(=O)NCc1c(O)cccc1O 1558533301 BTBYGRZGGULBMN-UHFFFAOYSA-N 282.296 -0.181 10 10 CBCE CNS(=O)(=O)NCC(=O)NCc1c(O)cccc1F 1596912019 KMRUDDBASVPQOZ-UHFFFAOYSA-N 291.304 -0.799 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(C(=O)Cn2nc(O)ccc2=O)C1 1912143380 FKTMWKXGPTZBRS-ZETCQYMHSA-N 264.245 -0.140 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1ccccc1O 2080551892 HCEDROGFGNFUHL-VWYCJHECSA-N 253.254 -0.617 10 10 CBCE Nc1ccc(CCN2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2081015155 AQUVAYXANPTDHQ-FRRDWIJNSA-N 252.314 -0.790 10 10 CBCE CO[C@@H]1CNCC[C@H]1NC(=O)c1cc(O)nc(O)c1 2090583014 JPXATWVBMYJQMK-RKDXNWHRSA-N 267.285 -0.401 10 10 CBCE NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132414578 YJLXOMVOKKYLPT-HTQZYQBOSA-N 268.269 -0.663 10 10 CBCE NC(=O)[C@@H]1C[C@H](N)CN(C(=O)c2cccc(O)c2O)C1 2151040514 FKDVYSALDVFDRD-SFYZADRCSA-N 279.296 -0.628 10 10 CBCE Nc1ccc(O)c(CN2CC([C@@H]3NC(=O)NC3=O)C2)c1 2184961557 XPOHHDJWOUSENL-NSHDSACASA-N 276.296 -0.386 10 10 CBCE C[C@H](O)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2201000815 AFCLXLVJPRULII-HFHOALDZSA-N 289.278 -0.079 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1F 2225519041 PDKFHORGVIYIBG-FRRDWIJNSA-N 271.288 -0.125 10 10 CBCE Cc1cc(N2CCNC(=O)[C@@H]2C(N)=O)ccc1[C@H](C)N 2285143087 DHHCNPRZZDCCCQ-CABZTGNLSA-N 276.340 -0.195 10 10 CBCE O=C(O)C[C@@H]1COCCN1C(=O)c1cc(O)nc(O)c1 129347538 XYSFHHZOLUOZTL-MRVPVSSYSA-N 282.252 -0.192 10 10 CBCE CN1C[C@H](NC(=O)COc2ccc(N)cc2)CC1=O 311681591 JGGLNJDRNOHVAX-SNVBAGLBSA-N 263.297 -0.006 10 10 CBCE NS(=O)(=O)CCCCNC(=O)c1cc(O)nc(O)c1 311896765 PEXNMTNJKIWTRV-UHFFFAOYSA-N 289.313 -0.709 10 10 CBCE CC(C)(O)[C@H](O)C(=O)NCc1cccc(O)c1O 1303194458 CCIASFQJNIQGKT-SNVBAGLBSA-N 255.270 -0.154 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COCC[C@H]1O 1471325176 XDUDGYBIHJLECA-NXEZZACHSA-N 267.281 -0.094 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)C1CS(=O)(=O)C1 2095902616 RATLNGXKQPKQAH-UHFFFAOYSA-N 284.337 -0.097 10 10 CBCE OC[C@@H]1C[C@H](NCc2cccc(O)c2O)[C@H](O)[C@@H]1O 2121475259 PNXXFXYXBNGRFA-NGERZBJRSA-N 269.297 -0.710 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1ccc(CO)cc1Cl 2127700002 HOFSWESFPDQTAW-JTQLQIEISA-N 283.715 -0.378 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@H]1NCc1cccc(O)c1O 2142491320 UQFHUQQNQHTCEI-MWLCHTKSSA-N 287.337 -0.001 10 10 CBCE CN(C)C[C@@](C)(O)CNC(=O)c1cc(O)c(O)c(O)c1 2188867772 GLPFVPNBTMHVMX-ZDUSSCGKSA-N 284.312 -0.154 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N 2188924173 PHGSLWWZKQFJRR-RKDXNWHRSA-N 281.312 -0.483 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2273671660 HQURSSJGXRLFSS-HYKPAMGXSA-N 267.325 -0.110 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(CO)c1 2289482298 BQJLZGJILRSOQA-LEWSCRJBSA-N 283.324 -0.662 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1 38084961 CCYMNCNFOBDUMQ-GFCCVEGCSA-N 297.380 -0.257 10 10 CBCE C[C@H](C(=O)O)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 54071080 ABBJSUIUSZJYEV-APPZFPTMSA-N 282.296 -0.101 10 10 CBCE O=C(O)[C@H](c1ccc(O)c(O)c1O)N1C(=O)C=CC1=O 83587745 SFXQMHWCCIJSOM-VIFPVBQESA-N 279.204 -0.146 10 10 CBCE O=C(O)[C@H](CO)NCc1ccc(N2CCNCC2)cc1 84846394 FIFKQSIRADDUQR-ZDUSSCGKSA-N 279.340 -0.369 10 10 CBCE CNS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 126053420 XBOASFBSSHFQID-UHFFFAOYSA-N 270.358 -0.145 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COC[C@@H]2O)cc1 323847690 OVZGLLUWIUAUJG-QWRGUYRKSA-N 252.270 -0.477 10 10 CBCE Cc1ccc(C(=O)N2C[C@@H](CO)[C@@H](O)C2)c(O)c1O 1299167767 BIJJDDZZLKELAN-WPRPVWTQSA-N 267.281 -0.169 10 10 CBCE CNS(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1643882124 NXSOXWNSDPGHGN-UHFFFAOYSA-N 274.298 -0.737 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC=CCO 1912032217 YXWHRKDPRFSVAM-JTQLQIEISA-N 266.297 -0.368 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(CO)(CO)C3)cc21 1914971222 PWQKHFULXGUEDB-GFCCVEGCSA-N 277.324 -0.546 10 10 CBCE NC(=O)C1(O)CN(c2ccc(CO)c(Cl)c2)C1 1915229505 FKDRNGZEHMYEBW-UHFFFAOYSA-N 256.689 -0.131 10 10 CBCE C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@H](O)C(=O)O 2056769337 ORQUUVUKFZPTSK-CDUCUWFYSA-N 255.226 -0.338 10 10 CBCE O=C(O)[C@H]1CC[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2279203852 RJPBJJRHQTWGRV-HTQZYQBOSA-N 282.252 -0.457 10 10 CBCE CNC(=O)CN(C)C(=O)COc1ccc(N)cc1 40303174 DOVGGDGIXLOJAM-UHFFFAOYSA-N 251.286 -0.148 10 10 CBCE Nc1ccc(CC(=O)N[C@H](CC(=O)O)C(=O)O)cc1 82698693 ITVRCULBWCOSNB-SECBINFHSA-N 266.253 -0.145 10 10 CBCE C[C@H](CNCc1cccc(O)c1O)S(N)(=O)=O 398297909 SJNUUSAIGLRXEB-SSDOTTSWSA-N 260.315 -0.136 10 10 CBCE O=C(N[C@@]1(CO)CCCNC1)c1cccc(O)c1O 711742030 KTJPQODOXLIKCV-ZDUSSCGKSA-N 266.297 -0.058 10 10 CBCE CCS(=O)(=O)NCC(=O)NCc1cc(O)ccc1O 1643882415 VYQYQGUGYKSLQW-UHFFFAOYSA-N 288.325 -0.347 10 10 CBCE CNC1(C(N)=O)CN(C(=O)Cc2ccc(N)cc2)C1 1876424141 ZFYHMPIPOPEIAI-UHFFFAOYSA-N 262.313 -0.903 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CNCC[C@@H]2O)cc1 1876668811 CZKSXKOKMYRBIY-RYUDHWBXSA-N 265.313 -0.513 10 10 CBCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)N2CC(O)C2)C1 1912144658 WSDAROZEECJEPE-SSDOTTSWSA-N 261.307 -0.318 10 10 CBCE COc1ccc([C@@H]2CS(=O)(=O)NCCN2)c(O)c1 1952450572 HOZSNTNUXCZCSB-JTQLQIEISA-N 272.326 -0.036 10 10 CBCE O=C1N[C@H]2CN(Cc3ccc(F)cc3O)C[C@H]2NC1=O 1974194487 OVYBAJWXEUWHBX-AOOOYVTPSA-N 279.271 -0.670 10 10 CBCE C[C@@H](NCCNS(N)(=O)=O)c1ccccc1O 1995950131 QXTRSVWWYCUHSK-MRVPVSSYSA-N 259.331 -0.164 10 10 CBCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)CO 2068575609 DDKRYYVPGLMMLL-SSDLBLMSSA-N 257.242 -0.725 10 10 CBCE N[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2087729224 LETPHZZFVQKFEI-VHSXEESVSA-N 266.297 -0.127 10 10 CBCE CC1(NC(=O)c2cc(O)c(O)c(O)c2)CS(=O)(=O)C1 2132419778 WCQGWKFWPMYMBP-UHFFFAOYSA-N 287.293 -0.280 10 10 CBCE O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2N1)c1cc(O)nc(O)c1 2153855587 QRVOMHPQADMNEH-UTLUCORTSA-N 279.296 -0.401 10 10 CBCE CN(C)C[C@H](N)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2188924179 PJNLDCSTDGMEIZ-VIFPVBQESA-N 283.328 -0.236 10 10 CBCE O=C(NC1CNCCNC1)c1cccc(O)c1O 2259376809 FQVIHYKZIAUIQS-UHFFFAOYSA-N 251.286 -0.611 10 10 CBCE COC(=O)[C@H](N)CS(=O)(=O)NCc1ccccc1O 2270550139 VNDLOKZCNWNEDF-SECBINFHSA-N 288.325 -0.688 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@H]1COCCO1 55297423 WTVVWKSQGNOFQA-GFCCVEGCSA-N 293.323 -0.502 10 10 CBCE C[C@@](O)(CO)CNCc1cc2c(cc1O)OCO2 90287134 RYOAHEQJCCMXPW-LBPRGKRZSA-N 255.270 -0.046 10 10 CBCE CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1cn[nH]c1 746444693 BHGJKMUDJIGXAL-PLNGDYQASA-N 289.295 -0.517 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC(CO)(CO)C1 1595388538 YXVGKTDMTRQDCZ-UHFFFAOYSA-N 267.281 -0.547 10 10 CBCE CO[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1N 1876416288 UUSRJBOORKIMKF-RYUDHWBXSA-N 285.369 -0.244 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1[C@@H]2OCCN[C@@H]21 1968738841 GEGVAHCGDFPFOO-UPJWGTAASA-N 278.308 -0.257 10 10 CBCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3COCCO3)c2n1 2064921975 NILAMLCIGODEIU-SECBINFHSA-N 292.295 -0.111 10 10 CBCE COC1(CO)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2101062789 YFUACZRDVYAJBL-LLVKDONJSA-N 263.297 -0.164 10 10 CBCE COCC[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1 2157555977 VAIMINXOHJTNDV-ZDUSSCGKSA-N 281.312 -0.009 10 10 CBCE C[C@]1(CO)COCCN(C(=O)c2cc(O)nc(O)c2)C1 2199824751 HTHZKIYXRURDDH-ZDUSSCGKSA-N 282.296 -0.036 10 10 CBCE C[C@H](c1ccc(O)cc1O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)O 2200862905 OMRMFXYVLZROPN-DUKRFPAISA-N 283.280 -0.351 10 10 CBCE CC(=O)N[C@H](CSc1ncc(C(N)=O)s1)C(=O)O 2218532805 WJQYNPNWUQWFPS-RXMQYKEDSA-N 289.338 -0.077 10 10 CBCE O=C(CN1C[C@@H](O)[C@H](CO)C1)c1ccc(O)c(O)c1 317152466 COYLXTFAXPJZAU-TVQRCGJNSA-N 267.281 -0.435 10 10 CBCE NC(=O)N1CC[C@H](NC(=O)COc2ccc(N)cc2)C1 393209982 KZYXEYDDGPXPHP-JTQLQIEISA-N 278.312 -0.083 10 10 CBCE CN(C(=O)CN(CCO)C1COC1)c1ccc(N)cc1 1915544729 DUDHUOIINQPZAP-UHFFFAOYSA-N 279.340 -0.075 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1Cc1ccccc1O 2080551886 HCEDROGFGNFUHL-GARJFASQSA-N 253.254 -0.617 10 10 CBCE COc1ccc(N2CC(N)(C(N)=O)C2)c(F)c1F 2081865611 UJRHLXSDITYRBW-UHFFFAOYSA-N 257.240 -0.024 10 10 CBCE O=C(NC[C@@]12CN[C@@H](CO1)C2)c1cc(O)nc(O)c1 2089422570 NCKUXDMTSFTGAX-PRHODGIISA-N 265.269 -0.647 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(F)c1 2090135760 JTDLZGUOJCEOCS-CHWSQXEVSA-N 270.304 -0.157 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)C1CS(=O)(=O)C1 2095904572 PPLLXRNQKQKNEI-LLVKDONJSA-N 281.337 -0.128 10 10 CBCE Nc1ccc(OCCC(=O)NCC[C@H](O)CO)cc1 2125838099 ZSXZHQSBZUTALE-NSHDSACASA-N 268.313 -0.103 10 10 CBCE Cc1cc(N2CC3(C2)OC[C@H](O)[C@@H]3O)ccc1CO 2127264055 LITJCFIHWMBEJF-STQMWFEESA-N 265.309 -0.202 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCC[C@@](N)(CO)C2)cc1 2191792153 ONDTWVSDBFVZKY-ZDUSSCGKSA-N 299.396 -0.116 10 10 CBCE CC(C)(C)OC(=O)NCCCOc1nnc(=N)[nH]n1 2209011448 OQZQNOJODOPOMM-UHFFFAOYSA-N 270.293 -0.027 10 10 CBCE O=C(CN1CCOC[C@@H](O)C1)c1ccc(O)c(O)c1 399874468 CZGCCIHSUDQOFP-JTQLQIEISA-N 267.281 -0.026 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@H]1CO 687619520 HPPDUZZXRGZVTJ-GXFFZTMASA-N 276.340 -0.249 10 10 CBCE O=C(NC[C@@H]1CNC[C@H]1O)c1ccc(O)c(O)c1 702849362 BKHRLBRZYNUKQC-GZMMTYOYSA-N 252.270 -0.592 10 10 CBCE CNCc1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 703584591 SXJWZNLBZCPANF-VXGBXAGGSA-N 276.340 -0.571 10 10 CBCE C[C@@H](NCCNS(N)(=O)=O)c1c(O)cccc1O 2039814229 SBNMNXHCONJDBX-SSDOTTSWSA-N 275.330 -0.459 10 10 CBCE N[C@H]1C[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H](O)C1 2096495219 LGCJAPQPYGBPCJ-XHNCKOQMSA-N 267.285 -0.679 10 10 CBCE O=C(N=c1[nH][nH]cc1C(=O)O)c1cc(O)nc(O)c1 2117409006 HIEMYIOLMKZEJJ-UHFFFAOYSA-N 264.197 -0.412 10 10 CBCE Cc1cccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)c1O 2121473962 KIMJZRNIQLRWFM-RFHZTLPTSA-N 267.325 -0.107 10 10 CBCE O=C(N[C@@]1(CO)CCOC1)c1cc(O)c(O)c(O)c1 2132348934 VRIGMADDGJHNKA-GFCCVEGCSA-N 269.253 -0.315 10 10 CBCE C[C@@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CC(=O)N1 2141275918 NODIZRNYPGVNCV-LBPRGKRZSA-N 283.353 -0.033 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)[C@@H]1CC(=O)NC1=O 2171207481 VKYGILOYZMSPIP-KOLCDFICSA-N 274.280 -0.510 10 10 CBCE NC[C@@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CO1 2188917594 YDMXXKNNBJUTSF-APPZFPTMSA-N 282.296 -0.103 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H](CN)O1 2188923400 MDNINNJLTASMNT-CBAPKCEASA-N 282.296 -0.008 10 10 CBCE COC(=O)C1(NC(=O)c2cc(O)c(O)c(O)c2)CNC1 2188923432 LARWDXVLLKUPHU-UHFFFAOYSA-N 282.252 -0.952 10 10 CBCE C[C@]1(O)CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1O 2201529710 UURFIRWLJJWMIP-MFKMUULPSA-N 283.280 -0.239 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)[C@H](CCO)C1 2202813031 OJUACKHXVRCSJU-SNVBAGLBSA-N 281.312 -0.369 10 10 CBCE COc1cc(N2CC3(C2)OC[C@H](O)[C@@H]3O)ccc1CN 2204546252 ZMNHAUGTBFESGC-AAEUAGOBSA-N 280.324 -0.535 10 10 CBCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CF 2205616142 VJUXAZSKOKSJIX-SDDRHHMPSA-N 286.259 -0.033 10 10 CBCE COc1ccc(N2CCOC[C@@H]2C(N)=O)c(CO)c1 2227708853 NBWNSRBFRJSNAB-GFCCVEGCSA-N 266.297 -0.122 10 10 CBCE Oc1cccc2c1[C@H](N[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O)CC2 2329650703 KUNWZWAMTFUIEK-MFUDDKMCSA-N 265.309 -0.176 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2354483890 FYEJNLNZKAFQLV-LGHWBWGJSA-N 275.308 -0.431 10 10 CBCE CN(C)C(=O)CNC(=O)COc1ccc(N)cc1 40302960 ZLUCPAWPLIZXPY-UHFFFAOYSA-N 251.286 -0.148 10 10 CBCE NCC[C@H](O)C(=O)NCc1ccc(O)c(O)c1O 83414072 CPMGOSHWMGLNLU-QMMMGPOBSA-N 256.258 -0.871 10 10 CBCE CN(C(=O)CN1CC(=O)NC(=O)C1)c1ccc(N)cc1 97267559 FRIUAAJYTOFOKR-UHFFFAOYSA-N 276.296 -0.810 10 10 CBCE CC1(C)OC(=O)C(=CN[C@H](CC(=O)O)C(=O)O)C(=O)O1 100804535 LGZXAFSLCQIYQH-ZCFIWIBFSA-N 287.224 -0.776 10 10 CBCE C[C@H](O)CNCCNC(=O)c1cc(O)nc(O)c1 132129972 VYVWXPBCOXXWGB-ZETCQYMHSA-N 255.274 -0.807 10 10 CBCE COc1ccc(O)c([C@@H](C)NC[C@@H](O)C(N)=O)c1 228628623 SORUAOZQSMXLMH-RDDDGLTNSA-N 254.286 -0.102 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COC[C@@H]2O)cc1 323847685 OVZGLLUWIUAUJG-MNOVXSKESA-N 252.270 -0.477 10 10 CBCE CN1CCO[C@H](C(=O)NCc2cc(O)ccc2O)C1=O 1153885140 LNJCTGSNAWQPJX-LLVKDONJSA-N 280.280 -0.429 10 10 CBCE COC[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1467675287 ZCOKHOKKMYNMRB-VIFPVBQESA-N 255.270 -0.236 10 10 CBCE COC1(CO)CN(C(=O)c2cccc(O)c2O)C1 1963861841 APCXPFBBFCVAEF-UHFFFAOYSA-N 253.254 -0.069 10 10 CBCE Cc1ccc(CNCCCNS(N)(=O)=O)c(O)c1 2084070675 SPKKOHDRWYMYMC-UHFFFAOYSA-N 273.358 -0.027 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)cc1 2108795034 UPYJWBWWVYITGA-UTUOFQBUSA-N 286.353 -0.428 10 10 CBCE CN(C(=O)CN1CC(OCCO)C1)c1ccc(N)cc1 2152288990 RSVBMIHRISGYOA-UHFFFAOYSA-N 279.340 -0.075 10 10 CBCE CNCc1cc(OC)ccc1N1CC(O)(CO)C1 2220407556 AOUVIINHDJCFBS-UHFFFAOYSA-N 252.314 -0.042 10 10 CBCE O=C(NC1CC(O)(CO)C1)c1cccc(O)c1O 2256987716 NEJFDKXBWNVYCD-UHFFFAOYSA-N 253.254 -0.287 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1[C@@H](C)N 2334467853 DSYTVCNMNLXCNF-PCDDKUFXSA-N 266.341 -0.083 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1COC[C@@H]1O 708734518 JGAMCAJLIXEUGQ-KWQFWETISA-N 253.254 -0.071 10 10 CBCE CN(CCS(N)(=O)=O)c1cc2c(cc1N)NC(=O)CC2 719719119 HWYTVDRWKVRWSW-UHFFFAOYSA-N 298.368 -0.122 10 10 CBCE O=C1CC[C@@H](C(=O)NCc2c(O)cccc2O)N1 1304053264 FXSKODRARCGBFW-QMMMGPOBSA-N 250.254 -0.007 10 10 CBCE CN(C[C@H](O)CN)c1cc2c(cc1N)OCC(=O)N2 1876302862 PMDJGCUUEDUUSG-SSDOTTSWSA-N 266.301 -0.645 10 10 CBCE O=C(O)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)O1 2035829784 DFIVNKYAHVRCFH-ZCFIWIBFSA-N 254.198 -0.277 10 10 CBCE O=C(NC[C@@H]1COCCO1)c1cc(O)c(O)c(O)c1 2132348190 GEYOXXWNYJWWPQ-MRVPVSSYSA-N 269.253 -0.051 10 10 CBCE Nc1ccc(CC(=O)N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2183645809 ZVPZGUZWXCDYAV-DGCLKSJQSA-N 278.308 -0.856 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H](CCO)C1 2202813028 OJUACKHXVRCSJU-JTQLQIEISA-N 281.312 -0.369 10 10 CBCE O=C(CN(CCO)CCO)c1ccc(O)c(O)c1 33639784 HYWZXNRLIFKVDK-UHFFFAOYSA-N 255.270 -0.433 10 10 CBCE O=C1CN(C(=O)c2cccc(O)c2O)[C@H](C(=O)O)CN1 230809083 KNARDFLYCIEMTM-ZETCQYMHSA-N 280.236 -0.877 10 10 CBCE CN(C)c1ccc(/C=C\C(=O)NC[C@H](O)C(N)=O)cc1 312257894 CKUXEOVXRUXJKN-JECSTDCCSA-N 277.324 -0.272 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@@H](C(N)=O)C3)cc21 723177442 TUJHNTYYUQEEOD-PELKAZGASA-N 274.324 -0.026 10 10 CBCE COC(=O)[C@@H]1O[C@@H](C(=O)OCC(=O)C(C)=O)C[C@H]1C 869824805 ZRZAAKGVYLHKCE-BDODKLCJSA-N 272.253 -0.346 10 10 CBCE O=C1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C(=O)N1 1654435903 PVAFAEAFBKZCDB-ZCFIWIBFSA-N 282.227 -0.228 10 10 CBCE C[C@@H](O)c1ccc(N2CC(O)(C(N)=O)C2)cc1O 1915237102 ZXWVMLUWZMMISF-SSDOTTSWSA-N 252.270 -0.518 10 10 CBCE Nc1ccc(CN2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 1974194470 OGYDBVGYLJRDOL-PHIMTYICSA-N 260.297 -0.932 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1COCC[C@@H]1O 2046416908 LUPWBSPQXWMUOF-UWVGGRQHSA-N 251.286 -0.071 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CO[C@H]3CNC[C@H]23)C1 2049780763 MVMYMHCYBWJAON-CDPPZIPSSA-N 252.314 -0.514 10 10 CBCE N[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CO 2122381563 NRMRKDVPADTHGQ-IUCAKERBSA-N 267.285 -0.726 10 10 CBCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1CO 2122389420 DTZHLLMJIVHUQN-PSASIEDQSA-N 266.297 -0.121 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1F 2127252485 ODUMXDONACLUDE-NWDGAFQWSA-N 268.288 -0.405 10 10 CBCE Cc1cc(N2CCN(C[C@H](O)CO)CC2)ccc1CN 2178039596 GVGHBZLPGOCZNX-HNNXBMFYSA-N 279.384 -0.071 10 10 CBCE CO[C@@H]1CCNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2235503731 UKKZMFOVWXWLIL-GZMMTYOYSA-N 282.296 -0.090 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)[C@H](O)CC1 2284565444 LAUISNSPXUQCDR-DTORHVGOSA-N 283.280 -0.239 10 10 CBCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 2355943046 BBURSGPJNLTQLW-TUAOUCFPSA-N 277.324 -0.041 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1cc(C)ccc1O 83391585 OXJPLRUPOKTAKQ-NSHDSACASA-N 252.270 -0.010 10 10 CBCE O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(O)nc(O)c1 170223367 FLYWCBSLHKMBOR-SSDOTTSWSA-N 272.282 -0.590 10 10 CBCE NC(=O)[C@@H](O)CNCc1ccc(N2CCOCC2)cc1 228618776 LJWWNUDJIPBTEC-ZDUSSCGKSA-N 279.340 -0.541 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H](O)C[C@H]3CO)cc21 698112729 FAAICDGBSAHRKS-OPQQBVKSSA-N 277.324 -0.405 10 10 CBCE NC(=O)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 1148584019 KXHOJXUMQZEGHQ-ZCFIWIBFSA-N 266.253 -0.249 10 10 CBCE CN(Cc1ccccc1O)C[C@@]1(O)CNC[C@@H]1O 2072467631 UXALDGWZBQMYHP-STQMWFEESA-N 252.314 -0.481 10 10 CBCE CN1C[C@@H](O)[C@H](NC(=O)CCc2ccc(N)cc2)C1 2090335664 BMVPNPHEPNXMQT-CHWSQXEVSA-N 263.341 -0.008 10 10 CBCE O=C(NC1(CCO)CNC1)c1cc(O)c(O)c(O)c1 2132400067 KHWYQMRPGNBLPF-UHFFFAOYSA-N 268.269 -0.742 10 10 CBCE CN(C(=O)C1=C[C@@H](O)[C@H](N)C1)c1ccc(C(=O)O)cn1 2188030757 MEDXJYXOWGOXQS-NXEZZACHSA-N 277.280 -0.239 10 10 CBCE Cc1cc(N2CCNC(=O)[C@@H]2C(N)=O)ccc1[C@H](C)O 2285177171 YTTOUTFNGQCNFY-CABZTGNLSA-N 277.324 -0.162 10 10 CBCE COc1ccc(CNC(=O)[C@H](N)CC(=O)O)c(O)c1 83496842 FZALTQJKBAGCBK-SECBINFHSA-N 268.269 -0.181 10 10 CBCE COC(=O)C[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 393612951 GXNYXQLOXMPEJA-ZCFIWIBFSA-N 284.224 -0.761 10 10 CBCE CN1C[C@H](NC(=O)CCOc2ccc(N)cc2)C(=O)N1 393903113 RABKNZCCZDVRPN-NSHDSACASA-N 278.312 -0.501 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403637178 AANNMEZSOIZKAK-MRVPVSSYSA-N 290.349 -0.316 10 10 CBCE COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccc(N)cc1 707234617 HJOKCIXJNJBHBB-RYUDHWBXSA-N 278.308 -0.054 10 10 CBCE CN1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CCC1=O 850852751 XHYZAYPRKOBLMZ-UHFFFAOYSA-N 290.323 -0.102 10 10 CBCE C[C@@H](NC(=O)[C@H](CO)NC(N)=O)c1ccccc1O 1171722719 BQTUQQZOLJGENA-APPZFPTMSA-N 267.285 -0.401 10 10 CBCE O=C1CC[C@H](C(=O)NCc2c(O)cccc2O)N1 1304053259 FXSKODRARCGBFW-MRVPVSSYSA-N 250.254 -0.007 10 10 CBCE COc1ccc(CNC(=O)c2nnn(C)n2)c(O)c1 1633927571 YDJLOZZOTJJQBB-UHFFFAOYSA-N 263.257 -0.146 10 10 CBCE C[C@H](NCCNS(N)(=O)=O)c1ccc(F)cc1O 2039801225 KKBBJAPWCCDLSA-ZETCQYMHSA-N 277.321 -0.025 10 10 CBCE COC[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2068575734 DUAJFYAOQQJBMW-SSDOTTSWSA-N 257.242 -0.460 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CO 2080939359 SPGBJKUNKSZCEW-RWMBFGLXSA-N 253.298 -0.610 10 10 CBCE C[C@@H]1CNC(=O)CN1c1cc2c(cc1N)OCC(=O)N2 2181166914 DXJKJSHRGDYKOM-SSDOTTSWSA-N 276.296 -0.076 10 10 CBCE Nc1ccc(OCC(=O)N2CCN[C@@H](CCO)C2)cc1 2191731141 PRKWJLJXLLSIPL-LBPRGKRZSA-N 279.340 -0.170 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1F 2226923336 WATBXKNEXSEPPT-YVZVNANGSA-N 275.251 -0.124 10 10 CBCE COCCNCc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1 234699630 VKNUVMSREAYZLM-KBPBESRZSA-N 266.341 -0.036 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC[C@](O)(CO)C3)ccc21 313725325 KWMSVSINVLJKAR-TZMCWYRMSA-N 277.324 -0.167 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)[C@H](CO)C1 315995445 AQEBSPGYCFRRBV-OIBJUYFYSA-N 253.254 -0.477 10 10 CBCE CN(C(=O)CN(C)C(CO)CO)c1ccc(N)cc1 388584733 KJLOTYXUOUWKSU-UHFFFAOYSA-N 267.329 -0.483 10 10 CBCE CN(c1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 700507615 JEZLABSEEVDRPV-GHMZBOCLSA-N 256.327 -0.137 10 10 CBCE N[C@@H]1CCOC[C@@H]1NC(=O)c1ccc(O)c(O)c1 710981143 HPKVNXJMGHGHKW-BDAKNGLRSA-N 252.270 -0.056 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](CO)[C@@H](O)C1 1154148330 YVMTXGNKNXRMGC-GWCFXTLKSA-N 281.308 -0.158 10 10 CBCE CN(CCCN=[N+]=[N-])S(=O)(=O)N1CC[C@@H](O)C1 1912146368 RHBFAOFKWBWIHX-MRVPVSSYSA-N 263.323 -0.070 10 10 CBCE O=C1NC(=O)N2CCN(c3ccc(CO)cc3)C[C@@H]12 2114809786 PSXAPIDJDSSPSZ-NSHDSACASA-N 261.281 -0.081 10 10 CBCE CN(CCNC(=O)Cc1ccc(O)c(O)c1)CC(=O)O 2152969147 UBPKVQKBLZEKAW-UHFFFAOYSA-N 282.296 -0.227 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 2188671436 DMFLNSZKGGIJJV-STQMWFEESA-N 280.324 -0.008 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2273651386 NXPDWOHKHYYHMJ-XBFCOCLRSA-N 266.341 -0.396 10 10 CBCE Nc1ccc(CCN2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311711890 AQUVAYXANPTDHQ-XQQFMLRXSA-N 252.314 -0.790 10 10 CBCE N[C@H](CC(=O)NCc1cccc(O)c1O)C(=O)O 83397860 LDCYXBZVAIPHFO-SSDOTTSWSA-N 254.242 -0.484 10 10 CBCE COc1ccc(N2CCNC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 88674115 BVMYQCABVZVRCZ-LLVKDONJSA-N 280.284 -0.133 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCc2ccccn2)C1=O 169995712 LUICPARGJGVDHJ-VIFPVBQESA-N 262.269 -0.793 10 10 CBCE CNC(=O)[C@H](C)NC(=O)c1cc(O)c(O)c(O)c1 1148589781 LCKJYQQZADVWJC-YFKPBYRVSA-N 254.242 -0.332 10 10 CBCE NC(=O)C1(O)CN(C(=O)CCOc2ccc(N)cc2)C1 1915239050 FZWKCPLFRFZDOZ-UHFFFAOYSA-N 279.296 -0.904 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@H]1CCNC1=O 1916797842 CXCONXHEXYLWAC-WDEREUQCSA-N 261.281 -0.003 10 10 CBCE Nc1ccc(CN2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)cc1 1924764519 QJZFWKMCJHNMCK-PHIMTYICSA-N 294.332 -0.202 10 10 CBCE NS(=O)(=O)NCCNCc1ccc2c(c1)CCCO2 1964065244 CCMDAJZKSWIFAV-UHFFFAOYSA-N 285.369 -0.106 10 10 CBCE C[C@@](O)(CCO)CNC(=O)c1cc(O)nc(O)c1 2045283228 QCDSNZAJTJTACC-LLVKDONJSA-N 256.258 -0.644 10 10 CBCE N[C@@]12C[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2068618909 UVQAACONDVWZNC-JVXZTZIISA-N 250.254 -0.023 10 10 CBCE NCC1(O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2071565470 NVKYCTIBJNZGEP-UHFFFAOYSA-N 271.342 -0.896 10 10 CBCE Oc1cccc2c1[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O)CC2 2108831031 KUNWZWAMTFUIEK-NHQYTFJHSA-N 265.309 -0.176 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 2112572003 YONXRRUCMTWAGB-OPRDCNLKSA-N 288.369 -0.971 10 10 CBCE O=C1NC(=O)[C@@]2(CCN(c3ccc(CO)cc3)C2)N1 2114205030 YJFBNGZRCPZRMY-ZDUSSCGKSA-N 261.281 -0.033 10 10 CBCE O=C1N[C@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]2O1 2120408264 XEQIVTQRLHGFMW-BQBZGAKWSA-N 265.225 -0.574 10 10 CBCE OC[C@@H]1C[C@H](NCc2cccc(O)c2O)[C@@H](O)[C@@H]1O 2121475260 PNXXFXYXBNGRFA-RBJBARPLSA-N 269.297 -0.710 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CO)ccc21 2136339842 MXHQAZNGNXEFLP-RFGFWPKPSA-N 264.325 -0.465 10 10 CBCE O=C(N[C@]1(C(=O)O)CCOC1)c1cc(O)c(O)c(O)c1 2188867649 DWTKZFDIWSXRMR-GFCCVEGCSA-N 283.236 -0.223 10 10 CBCE O=C(O)[C@@H]1CCOCCN1C(=O)c1cc(O)nc(O)c1 2285323039 HHBYKRBYEGKHAH-QMMMGPOBSA-N 282.252 -0.192 10 10 CBCE CCOCCCNC=C1C(=O)N(C)C(=O)N(C)C1=O 48403247 DPODBYDMRGVBFA-UHFFFAOYSA-N 269.301 -0.063 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCOC[C@@H]2CO)cc1 167923857 BGQATBQLWNCRDD-LBPRGKRZSA-N 286.353 -0.208 10 10 CBCE N[C@@]1(C(=O)O)CCN(C(=O)c2cc(O)nc(O)c2)C1 229247564 BRHZEQSLVWPGKN-NSHDSACASA-N 267.241 -0.879 10 10 CBCE C[C@@H](CNC(=O)COc1ccc(N)cc1)S(N)(=O)=O 398232704 JMXVDDOTSDRKBB-QMMMGPOBSA-N 287.341 -0.559 10 10 CBCE COc1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c(N)c1 693373213 WPDTUWMYXDRSSS-DTORHVGOSA-N 278.312 -0.700 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCCS(=O)(=O)CC1 709888057 KDEZQYBBXFBRQW-SECBINFHSA-N 275.334 -0.291 10 10 CBCE C[C@H](NC(C(N)=O)C(N)=O)c1ccc(N(C)C)cc1 710083382 HVGKPIVLVQXRHK-QMMMGPOBSA-N 264.329 -0.258 10 10 CBCE Nc1nnn(CC(=O)NCc2cc(Cl)ccc2O)n1 1469876803 JSCWBQQGHIMFHA-UHFFFAOYSA-N 282.691 -0.069 10 10 CBCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCS(=O)(=O)C1 1912177959 IWCDVZSQSQKIAH-PSASIEDQSA-N 289.361 -0.045 10 10 CBCE O=[N+]([O-])c1cc2c(cc1N1C[C@H](O)[C@H](O)C1)OCCO2 1917260526 JISPHYDAXKIKCP-AOOOYVTPSA-N 282.252 -0.092 10 10 CBCE O=S1(=O)CC(S(=O)(=O)NCc2ccccc2O)C1 1917944225 DFZBGLWTUALBFO-UHFFFAOYSA-N 291.350 -0.391 10 10 CBCE O=C1CNCC(=O)N1CCc1ccc(O)c(O)c1 2031070343 MAFLWTGCLGLPFT-UHFFFAOYSA-N 250.254 -0.401 10 10 CBCE Oc1c(F)cccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046514511 NZSDZOJQJWTNMP-RBLKWDMZSA-N 257.261 -0.524 10 10 CBCE O=C(N[C@@]12CNC[C@@H]1C2)c1cc(O)c(O)c(O)c1 2068624419 PESZXMQUBFTCGW-MADCSZMMSA-N 250.254 -0.105 10 10 CBCE CN(C[C@H](O)CN)c1cc2c(cc1N)OCCO2 2071626042 AMBHCQNWKVUFHV-MRVPVSSYSA-N 253.302 -0.204 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2080937041 BNCMSSBVQCCQQL-WTFGDDLMSA-N 253.298 -0.357 10 10 CBCE COc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(N)c1 2090138790 MICWLWUQDFWPES-OLZOCXBDSA-N 268.313 -0.164 10 10 CBCE NC(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2106928771 XXBVKDPVAJSALI-SNVBAGLBSA-N 262.269 -0.471 10 10 CBCE C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1O)c1cc(O)ccc1O 2121364777 QLHYKRGNESEUMH-VIRWGQHYSA-N 287.337 -0.094 10 10 CBCE OCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(F)c1 2127263034 FPCKCKCFXUMELT-NEPJUHHUSA-N 269.272 -0.371 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@]1(C(=O)O)CCNC1 2144022454 CKQMLVDHAGZQBM-ZDUSSCGKSA-N 280.280 -0.427 10 10 CBCE O=C(N[C@H]1C(=O)NC[C@H]1C(=O)O)c1ccc(O)c(O)c1 2144414567 HKSNSBSAIVCUII-HZGVNTEJSA-N 280.236 -0.973 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCN[C@H]3COC[C@H]32)cc1 2191633639 HLRFMUVYTSZILP-QWHCGFSZSA-N 297.380 -0.229 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](N)[C@H]3COC[C@H]32)cc1 2191672470 YFAYOBPKRIAALN-FRRDWIJNSA-N 277.324 -0.168 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2201032928 JZSIILVGGXPDIW-MELADBBJSA-N 284.331 -0.162 10 10 CBCE O=C(N[C@H]1COC2(CCC2)[C@@H]1O)c1cc(O)nc(O)c1 2206471578 OEPNIRCKPXYJKM-GZMMTYOYSA-N 280.280 -0.095 10 10 CBCE COc1cc(N2CC([C@@H](O)CO)C2)ccc1CO 2315275858 GRFYBMVNVVCOLL-LBPRGKRZSA-N 253.298 -0.023 10 10 CBCE NC(=S)N/C=C1\SC(=S)N(CC(=O)O)C1=O 12139091 AWQLZZFFZGLLDQ-IWQZZHSRSA-N 277.352 -0.394 10 10 CBCE COCCNC(=O)[C@@H](N)c1ccc(O)c(O)c1O 83414134 JFOHARZFDRQJGY-QMMMGPOBSA-N 256.258 -0.434 10 10 CBCE CS(=O)(=O)Nc1ccc(O)c(S(N)(=O)=O)c1 95725148 VULVCKYQWQSSAP-UHFFFAOYSA-N 266.300 -0.589 10 10 CBCE NC(=O)[C@H](O)CNCc1ccc(N2CCOCC2)cc1 228618787 LJWWNUDJIPBTEC-CYBMUJFWSA-N 279.340 -0.541 10 10 CBCE CN(C)CCN(CC(=O)O)C(=O)c1cc(O)nc(O)c1 230739666 HMLWPFSISKNXHA-UHFFFAOYSA-N 283.284 -0.419 10 10 CBCE C[C@H](O)[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 235595545 PIVURBHJDMIRFT-SSDLBLMSSA-N 255.226 -0.338 10 10 CBCE CN(C)C[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 702174530 MIFLNIDMRLBPJS-ZETCQYMHSA-N 269.257 -0.763 10 10 CBCE C[C@H](O)[C@@H](O)CNCc1cc2c(cc1O)OCO2 717287490 IRTLZRGGEOAQMS-XVKPBYJWSA-N 255.270 -0.048 10 10 CBCE CNC(=O)CC(=O)NCCc1ccc(O)c(O)c1 773398668 SHYUNFZVGGJDSH-UHFFFAOYSA-N 252.270 -0.107 10 10 CBCE CN(CCN=[N+]=[N-])Cc1cc(=O)n(C)c(=O)n1C 1912196615 WPJLXTZZMWMCEE-UHFFFAOYSA-N 252.278 -0.174 10 10 CBCE [N-]=[N+]=NC1CN(S(=O)(=O)N2CCC(O)CC2)C1 1912204880 YVOWURDSZXWFGZ-UHFFFAOYSA-N 261.307 -0.318 10 10 CBCE NC(=O)C1(O)CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 1915249226 UIFWMKYXQNEMMK-VIFPVBQESA-N 296.714 -0.672 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O)c1ccccc1O 2046515679 YSXXTPXFXSFRRP-MWIFLCTQSA-N 253.298 -0.102 10 10 CBCE O=S1(=O)C[C@H]2NCCN(Cc3ccccc3O)[C@H]2C1 2087411677 QMAUZSPJVOCIAV-NEPJUHHUSA-N 282.365 -0.037 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)C[C@H]1CO 2089901568 MVNGLYNECKBTFU-CBAPKCEASA-N 268.269 -0.692 10 10 CBCE CO[C@H]1C[C@@H](CN)N(C(=O)c2cc(O)nc(O)c2)C1 2090743523 NTKFDYAKGGEWAK-IUCAKERBSA-N 267.285 -0.319 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H](O)CN1 2091749697 ZUQQGRNIWVIOKX-ZJUUUORDSA-N 266.297 -0.521 10 10 CBCE NCc1ccc(N2CC[C@]3(C2)NC(=O)NC3=O)cc1 2114209642 VSSQAQWIBHUAAR-CYBMUJFWSA-N 260.297 -0.066 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(O)cc2O)[C@@H](O)[C@H]1O 2121476519 VUJOWTKZLWOASP-SKZLGDCLSA-N 269.297 -0.710 10 10 CBCE NC(=O)[C@@H]1C[C@@H](N)CN(C(=O)c2ccc(O)c(O)c2)C1 2151041086 JHHGAQSPXLNQBT-RKDXNWHRSA-N 279.296 -0.628 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@@H](O)C[C@@H](O)C3)cc21 2161357584 RDJBNPQUEUPMEA-CWSCBRNRSA-N 277.324 -0.405 10 10 CBCE CNC1(C(N)=O)CN(C(=O)CCc2ccc(N)cc2)C1 2191652835 UCLKXRXTVPDNST-UHFFFAOYSA-N 276.340 -0.513 10 10 CBCE O=C1Nc2cc(N3CC[C@@H]3[C@@H](O)CO)c(F)cc2[C@H]1O 2286213743 XCKDHDMNJDCYQH-ADEWGFFLSA-N 282.271 -0.257 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2329332221 JPEUEGCYIHEGCP-LDDIKCJXSA-N 265.265 -0.336 10 10 CBCE C[C@@H](NC(=O)[C@@H]1NC[C@@H](O)[C@H]1O)c1ccccc1O 2332939156 OEJOHRVANKWBNC-FAQVLOEFSA-N 266.297 -0.737 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)[C@@H](CN)C1 234327294 KSPWTPIZRGSVJL-JTQLQIEISA-N 265.313 -0.187 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCOC[C@@H](O)C3)cc21 399846667 FLYZDYJKVKDSDP-GXFFZTMASA-N 277.324 -0.140 10 10 CBCE C[C@@H](O)[C@@H](O)CNC(=O)CCOc1ccc(N)cc1 717379124 WXCVQKWOCLUSBV-SKDRFNHKSA-N 268.313 -0.104 10 10 CBCE COC[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1467503772 XJRSXIBJTHEOQL-SECBINFHSA-N 255.270 -0.236 10 10 CBCE O=C1C[C@H](c2cccc(O)c2O)[C@@H](C(=O)O)C(=O)N1 1951726710 XMNLIVTXCFEUJJ-HZGVNTEJSA-N 265.221 -0.071 10 10 CBCE CN(CCN)S(=O)(=O)NCc1ccccc1O 1998226527 YTALGBSMFXMCLM-UHFFFAOYSA-N 259.331 -0.383 10 10 CBCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2127700951 LWLUYWCPBPXDCL-LDYMZIIASA-N 263.297 -0.470 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2136297096 WJPRJFRZJAYSAT-ZOBORPQBSA-N 265.309 -0.431 10 10 CBCE NCCC(CCN)NC(=O)Cc1ccc(O)c(O)c1 2140757588 BZPVAHBAGBMOHL-UHFFFAOYSA-N 267.329 -0.177 10 10 CBCE CN(C)CCN(CCO)C(=O)c1cc(O)c(O)c(O)c1 2188868072 LNRFQHLPKSFDNX-UHFFFAOYSA-N 284.312 -0.201 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H](CN)O1 2188923402 MDNINNJLTASMNT-IONNQARKSA-N 282.296 -0.008 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@H](O)[C@H]1CF)OCCO2 2205598559 FSTWVDHGEZJZIJ-GBIKHYSHSA-N 284.287 -0.080 10 10 CBCE Cc1cc(CO)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2311703687 SPGBJKUNKSZCEW-XQQFMLRXSA-N 253.298 -0.610 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H](O)[C@@H](O)[C@@H]2CF)c1 2312001570 ASSBYMAIVBFAQA-WCQGTBRESA-N 256.277 -0.150 10 10 CBCE N[C@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@H]3CO)ccc21 2332924481 MXHQAZNGNXEFLP-DGAVXFQQSA-N 264.325 -0.465 10 10 CBCE COC(=O)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 133507294 GEAVMLLJNFDRRV-MRVPVSSYSA-N 282.252 -0.493 10 10 CBCE COC[C@@H](CCO)NC(=O)c1cc(O)nc(O)c1 228168205 YXRKHGPHHIOAEE-MRVPVSSYSA-N 256.258 -0.380 10 10 CBCE NC(=O)CNCc1nc(-c2ccc(O)c(O)c2)no1 236188227 SERGPHLDBKOALI-UHFFFAOYSA-N 264.241 -0.277 10 10 CBCE NC(=O)CN(CC(N)=O)[C@@H]1CCc2cccc(O)c21 312099159 SWSNGAPGFTVKBN-SECBINFHSA-N 263.297 -0.348 10 10 CBCE C[C@@H]1CN(C(=O)COc2ccc(N)cc2)CC(=O)N1 395711064 PZDLZHICXKXMBY-SECBINFHSA-N 263.297 -0.006 10 10 CBCE O=C(O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 401976593 VNOFYUOGEUAFCX-HTQZYQBOSA-N 282.252 -0.600 10 10 CBCE O=C(N[C@H]1CCO[C@@H]1C(=O)O)c1cc(O)nc(O)c1 702982772 TVWPFCMMTZZUQH-RCOVLWMOSA-N 268.225 -0.535 10 10 CBCE NC(=S)N/C=C1/SC(=S)N(CC(=O)O)C1=O 714531354 AWQLZZFFZGLLDQ-HNQUOIGGSA-N 277.352 -0.394 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@]1(CO)CCOC1 1296189532 GVOGXXZNTKTTND-ZDUSSCGKSA-N 267.281 -0.092 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2CCNC2=O)cc1 1887193401 ZPMWWAUQQXQTBJ-SECBINFHSA-N 263.297 -0.100 10 10 CBCE O=C1Nc2cc(N3CC(OCCO)C3)ccc2[C@H]1O 2095968887 OVLWKAYOIGSVRI-GFCCVEGCSA-N 264.281 -0.130 10 10 CBCE O=C(NC[C@@H]1CNC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132400689 OMADBQYNRWXKQZ-XVKPBYJWSA-N 268.269 -0.887 10 10 CBCE N[C@@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CCOC1 2132401352 TVESEZKYMKRUCY-GFCCVEGCSA-N 268.269 -0.349 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1ncno1 2152384517 KMIPPTKGOHKRFG-QMMMGPOBSA-N 278.268 -0.333 10 10 CBCE Nc1ccc(O)c(CNC(=O)[C@@H]2CN3CCN2CC3)c1 2155754426 MXIWTZREGZQAJR-LBPRGKRZSA-N 276.340 -0.410 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(NC(N)=O)C3)cc21 2163215261 DLFRCVHIRRQHQN-NSHDSACASA-N 275.312 -0.480 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NO[C@@H]1CCOC1 2193227886 PFTWNRQDKVSTJB-ZJUUUORDSA-N 282.296 -0.196 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CO)cc1F 2225519042 PDKFHORGVIYIBG-JHJVBQTASA-N 271.288 -0.125 10 10 CBCE COc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(CN)c1 2235967023 AQKWMQAGDNZXGK-QWRGUYRKSA-N 275.308 -0.137 10 10 CBCE O=C(NCC(F)(F)C1(O)CNC1)c1cccc(O)c1O 2288521106 VVQSJXQWMNAYMD-UHFFFAOYSA-N 288.250 -0.203 10 10 CBCE C[C@H]1[C@H](O)CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1914424792 XTCIPQCQBPGKPN-INTQDDNPSA-N 280.324 -0.051 10 10 CBCE COc1ccc(CN[C@@H]2CC(=O)NC2=O)c(O)c1 2034956782 HJWAIABPSUFDHR-SECBINFHSA-N 250.254 -0.095 10 10 CBCE NC(=O)NC1CN(CC(=O)Nc2ccc(N)cc2)C1 2106922332 WLHCYHJYMSUTMF-UHFFFAOYSA-N 263.301 -0.440 10 10 CBCE O=C(NC1CC(O)(C(=O)O)C1)c1cc(O)nc(O)c1 2127791469 PYXMOFIEYBIWHM-UHFFFAOYSA-N 268.225 -0.799 10 10 CBCE NCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1Cl 2166790766 KJTPQOKBOWZXIU-PHIMTYICSA-N 294.742 -0.398 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCNC[C@H]1CO 2172905721 VRXYEDURWGSHTD-WDEREUQCSA-N 280.324 -0.273 10 10 CBCE O=C1N[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4O)C[C@@H]2O1 2176926565 IDUOASIBHHUAJG-OUAUKWLOSA-N 275.264 -0.031 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H](O)CCN1 2177464836 IKODGSGQBCENCT-GHMZBOCLSA-N 280.324 -0.131 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H]2NC[C@H](O)[C@H]2O)cc1 2201140364 HDUGLRHYIRCVBZ-YNEHKIRRSA-N 279.340 -0.938 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(C[C@H](O)CO2)C1 2201758277 LUDXYKHKMIJSBH-TVQRCGJNSA-N 280.280 -0.141 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CF)ccc21 2205601122 RLIWQLCZTXYWBA-RHYQMDGZSA-N 281.287 -0.482 10 10 CBCE O=C(O)CNC[C@@H]1NCCc2c1cc(O)c(O)c2O 75819304 IHWDELCJSQGOCH-QMMMGPOBSA-N 268.269 -0.336 10 10 CBCE NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(N)cc1 129199206 WHAOFRAEGFMWBV-NSHDSACASA-N 263.297 -0.476 10 10 CBCE CNS(=O)(=O)CCNC(=O)[C@H]1CNc2ccccc2N1 231013065 DALWRVOZXFHOLA-LLVKDONJSA-N 298.368 -0.442 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)C3)c(Cl)cc21 236321256 FHMDJQSURHSFJQ-OUAUKWLOSA-N 283.715 -0.166 10 10 CBCE NC(=O)[C@@]1(O)CCCN(C(=O)Cc2ccc(N)cc2)C1 380003476 PXJKHBHHNQJEAX-CQSZACIVSA-N 277.324 -0.350 10 10 CBCE CS(=O)(=O)NC1CN(Cc2cc(N)ccc2O)C1 703016752 VLJUDNCTIWDHAP-UHFFFAOYSA-N 271.342 -0.292 10 10 CBCE NC(=O)NCCNC(=O)/C=C\c1ccc(O)c(O)c1 779518778 MRGDKRNQBMZYNE-RQOWECAXSA-N 265.269 -0.105 10 10 CBCE CN(C[C@@H](O)COc1ccc(N)cc1)[C@@H]1CCNC1=O 1916853530 LBDZXIJEZOSWRL-DGCLKSJQSA-N 279.340 -0.171 10 10 CBCE C[C@H](O)[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 2053799310 FAEDETOFMHWXQE-IONNQARKSA-N 255.270 -0.502 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2cc(F)ccc2O)C1 2057722234 ZAOKQBGFNUUXSV-GXSJLCMTSA-N 275.301 -0.221 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@H](O)C2)ccc1CO 2068304822 YIXMCFVUCLVJHD-PHIMTYICSA-N 254.242 -0.371 10 10 CBCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=N)NO 2068616445 AOHCGAQOJVQKDR-SCSAIBSYSA-N 255.230 -0.122 10 10 CBCE CN1C[C@H](O)[C@@H](NC(=O)COc2ccc(N)cc2)C1 2090333177 GQNFQWGYQYYHFJ-RYUDHWBXSA-N 265.313 -0.561 10 10 CBCE OC[C@@H]1C[C@H](NCc2cc(F)ccc2O)[C@@H](O)[C@H]1O 2121476949 YJJMYYZMGCKWGM-SKZLGDCLSA-N 271.288 -0.277 10 10 CBCE COCC1(C(=O)O)CN(C(=O)c2cc(O)nc(O)c2)C1 2169140940 STXFTOFTKUPELU-UHFFFAOYSA-N 282.252 -0.334 10 10 CBCE O=C1N[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]2O1 2176927908 PKYBYQLEJOHHTH-LDYMZIIASA-N 278.264 -0.041 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC(O)(CO)CC1 2188867528 CCRIYKZQLLZFRO-UHFFFAOYSA-N 283.280 -0.237 10 10 CBCE O=C(NC[C@@H]1C[C@H](CO)CO1)c1cc(O)c(O)c(O)c1 2188874407 HCPHPOVSSHJEGH-APPZFPTMSA-N 283.280 -0.069 10 10 CBCE C[C@@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C[C@@]1(C)O 2194606041 CWOQXVKZBCPDAL-CHWSQXEVSA-N 282.296 -0.159 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)Cc1ccc(N)cc1 2233873919 QPKRLIIQOOZBKO-YRGRVCCFSA-N 280.324 -0.610 10 10 CBCE CO[C@@H]1CC(=O)CN(C(=O)c2cc(O)nc(O)c2)C1 2344695088 IQPSZFOLTGYTPK-SECBINFHSA-N 266.253 -0.077 10 10 CBCE C[C@H](N)CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486859 AWXUSWPGICMKDU-CBAPKCEASA-N 282.296 -0.053 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1C(=O)c1cccc(O)c1O 126465353 UAFHOOANNQYFCZ-LURJTMIESA-N 264.237 -0.415 10 10 CBCE C[C@H](c1ccccc1O)N(CC(N)=O)CC(N)=O 134020219 UKRTZFVIZDGNAC-MRVPVSSYSA-N 251.286 -0.274 10 10 CBCE CCC(CO)(CO)NC(=O)c1cccc(O)c1O 233013889 JGFFIRFFVSGUSP-UHFFFAOYSA-N 255.270 -0.039 10 10 CBCE CNC(=O)NCCNCc1ccc(O)c(O)c1O 397402020 GVWAODVPXRDJLC-UHFFFAOYSA-N 255.274 -0.178 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1CN 687611355 AYGRLRXKMGYAEB-SNVBAGLBSA-N 265.313 -0.187 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@H]1CO)NC(=O)CO2 704708453 OEXFRYNYVAIVIG-YUMQZZPRSA-N 279.296 -0.468 10 10 CBCE COc1cccc(CNC(=O)Cn2ncnn2)c1O 1631542106 HATRMUANABBSBB-UHFFFAOYSA-N 263.257 -0.296 10 10 CBCE CN(Cc1ccccc1O)[C@H]1CS(=O)(=O)C[C@H]1N 2072462478 RIWIBPDLCWUFKM-MNOVXSKESA-N 270.354 -0.052 10 10 CBCE CCS(=O)(=O)CCNC(=O)c1cc(O)c(O)c(O)c1 2132348878 UZGQHNITAOGFCV-UHFFFAOYSA-N 289.309 -0.032 10 10 CBCE CSc1ncc(CNC(=O)[C@@H]2NC[C@@H](O)[C@@H]2O)s1 2256938384 UDVBIHRNJDBUFN-PRJMDXOYSA-N 289.382 -0.825 10 10 CBCE CN(C)CCN(CCN)C(=O)Cc1ccc(O)c(O)c1 2280553119 LZGRTIGTFMXGKC-UHFFFAOYSA-N 281.356 -0.011 10 10 CBCE O=C(O)CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCOC1 2288041967 HJURIZZAHDULNM-QMMMGPOBSA-N 282.252 -0.192 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1F 2289486497 WYECXQDKASDBLX-FWDPORAESA-N 288.294 -0.426 10 10 CBCE O=C(CN1C[C@@H](O)[C@H]2COC[C@H]21)c1ccc(O)c(O)c1 2354368671 IPVGOWMMZYBNOL-IMSIIYSGSA-N 279.292 -0.028 10 10 CBCE COC(=O)[C@H]1COCCN1C(=O)c1cc(O)nc(O)c1 163511883 ZQZXXVZFHYLLEG-MRVPVSSYSA-N 282.252 -0.493 10 10 CBCE O=C(CN1CC[C@@H](O)[C@H](CO)C1)c1ccc(O)c(O)c1 396848371 JBJISEATXIFOEF-WDEREUQCSA-N 281.308 -0.044 10 10 CBCE Cn1nnc(CNC(=O)CCOc2ccc(N)cc2)n1 398193857 SLDZMNPYNDQZST-UHFFFAOYSA-N 276.300 -0.122 10 10 CBCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccccc1O 1324843192 OCQCGUHSQGDKOD-QMMMGPOBSA-N 263.253 -0.394 10 10 CBCE CONC(=O)CNC(=O)Cc1ccc(O)c(O)c1 1456605065 XWNTXABGGFYNBI-UHFFFAOYSA-N 254.242 -0.566 10 10 CBCE CN(C)c1ccc(CNC(=O)Cn2nnc(N)n2)cc1 1540494113 BULZNBCTALXYIW-UHFFFAOYSA-N 275.316 -0.362 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](N)C[C@H](O)C1)OCCO2 1876394774 FCVRQQCSBKGPHT-IUCAKERBSA-N 265.313 -0.062 10 10 CBCE CN(C[C@H](O)CN)C(=O)CCOc1ccc(N)cc1 1876451405 NUORHIHHZAZVAP-LLVKDONJSA-N 267.329 -0.184 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)N2CC[C@H](O)C2)C1 1912155360 KTJLBFWPOGREER-IUCAKERBSA-N 275.334 -0.070 10 10 CBCE COC(=O)[C@H](N)CC(=O)NCc1ccccc1O 1913560933 KOBJOFRZYQXKEX-SECBINFHSA-N 252.270 -0.101 10 10 CBCE NCc1cc(F)c(N2CC(O)(C(N)=O)C2)cc1Cl 2057252921 PPMDNGLLPWKCAH-UHFFFAOYSA-N 273.695 -0.026 10 10 CBCE CC[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2136336494 MJSNEZJRAXDPSY-XDQVBPFNSA-N 266.341 -0.001 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)C[C@@H](O)C1)NC(=O)CO2 2161355789 ZEQYCDFTJRNPFM-HTQZYQBOSA-N 279.296 -0.468 10 10 CBCE CC1(C)CO[C@@H](CNC(=O)c2cc(O)nc(O)c2)CN1 2165614966 CAFHQMNERGAKEJ-VIFPVBQESA-N 281.312 -0.010 10 10 CBCE C[C@]1(CO)CNCCN1C(=O)COc1ccc(N)cc1 2191716530 LSFAWINSTLJVJU-CQSZACIVSA-N 279.340 -0.170 10 10 CBCE C[C@H](O)CN(CCN)c1cc2c(cc1N)OCC(=O)N2 2285344160 KSQSCAXXGKNRPJ-QMMMGPOBSA-N 280.328 -0.254 10 10 CBCE CN1C(=O)C(=CNN2CCCCC2)C(=O)NC1=S 2296933533 SLTNIRIWOKWLMK-UHFFFAOYSA-N 268.342 -0.266 10 10 CBCE C[C@@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1cc(O)ccc1O 2329650751 LOQOQSMXDWOFFD-ULEGWKDBSA-N 269.297 -0.397 10 10 CBCE O=[N+]([O-])c1cc(N2CC([C@@H](O)CO)C2)ccc1CO 2336880380 UVLUXWCOQOEJBF-LBPRGKRZSA-N 268.269 -0.124 10 10 CBCE NC(=O)CCS(=O)(=O)CCOc1ccc(N)cc1 38055615 PREJDNLCJQRUCG-UHFFFAOYSA-N 272.326 -0.062 10 10 CBCE O=C(O)C[C@H]1COCCN1C(=O)c1cc(O)nc(O)c1 129347334 XYSFHHZOLUOZTL-QMMMGPOBSA-N 282.252 -0.192 10 10 CBCE NC(=O)[C@@H](O)CNC(=O)CCc1ccc(N)cc1 228477637 SUNOAAQDTNPGEP-JTQLQIEISA-N 251.286 -0.836 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@@H](CO)C3)ccc21 316227651 BOKXWLCPCGXDBK-HFKOZYHYSA-N 263.297 -0.572 10 10 CBCE C[C@@H]1C[C@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 385003519 QIFIDHHBZOTFKG-MIMYLULJSA-N 280.324 -0.051 10 10 CBCE CNCc1ccc(OC)c(CS(=O)(=O)CC(N)=O)c1 388778339 JVDPURPKFQLKKO-UHFFFAOYSA-N 286.353 -0.185 10 10 CBCE N[C@@H](CS(=O)(=O)NCc1ccccc1O)C(=O)O 691733521 AEDWRAWLIPPDNZ-QMMMGPOBSA-N 274.298 -0.777 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 693463137 QBEUXAHSAUFXJZ-XXILOJSOSA-N 277.324 -0.237 10 10 CBCE CN(C)c1ccc(CNC(C(N)=O)C(N)=O)cc1 695345110 WXGFMDQYZTYQLL-UHFFFAOYSA-N 250.302 -0.819 10 10 CBCE C[C@H](NC(=O)[C@@H]1CN(C)C(=O)CN1)c1ccccc1O 1122115285 VLAQZMFUTLJXKJ-ONGXEEELSA-N 277.324 0.000 10 10 CBCE COC1([C@H](NCCN=[N+]=[N-])C(N)=O)CCOCC1 1912145477 HRMZPOCZBQHLOD-MRVPVSSYSA-N 257.294 -0.064 10 10 CBCE COC[C@@H](NC(=O)Cc1ccc(N)cc1)C(N)=O 2034937259 FGCJOBCCSVMZHR-SNVBAGLBSA-N 251.286 -0.572 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC(O)(CO)C2)cc1 2051900747 VYYKWLUCLOZHGP-UHFFFAOYSA-N 272.326 -0.862 10 10 CBCE C[C@H](O)[C@@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2068620584 IQJGPTLSCADWHQ-FSPLSTOPSA-N 256.258 -0.759 10 10 CBCE O=C(N[C@@H]1COCCC1=O)c1cc(O)c(O)c(O)c1 2132410985 RJBPRSNWHBMPRO-SSDOTTSWSA-N 267.237 -0.109 10 10 CBCE O=C(C[C@]1(O)CCNC1)NCCc1ccc(O)c(O)c1 2160907050 NNCVSOXLXOZSHX-CQSZACIVSA-N 280.324 -0.129 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC=C[C@@H](O)C1 2165068275 IUXJDCWNRBRQNP-MNOVXSKESA-N 278.308 -0.273 10 10 CBCE NC[C@@H]1C(=O)NCCN1c1ccc2c(c1)OCCO2 216975180 KPZMEFLOQROXIW-SNVBAGLBSA-N 263.297 -0.279 10 10 CBCE O=C1NCCN(c2ccc3c(c2)OCCO3)[C@H]1CO 217058976 HOKMUJXPNREZKI-JTQLQIEISA-N 264.281 -0.245 10 10 CBCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H](O)CO 698962500 SVSVNFKJDZCRQI-KCJUWKMLSA-N 274.342 -0.570 10 10 CBCE CN(C)C[C@@H](O)CNC(=O)c1cc(O)nc(O)c1 717415709 NUTGWIPHWWAIOB-QMMMGPOBSA-N 255.274 -0.855 10 10 CBCE Nc1cc2c(cc1N1CC(CO)(CO)C1)OCCO2 1914997051 PCEFNCZYVFHSBX-UHFFFAOYSA-N 266.297 -0.169 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1COCC[C@@H]1O 2046416910 LUPWBSPQXWMUOF-ZJUUUORDSA-N 251.286 -0.071 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]1[C@@H]2CO 2082847764 UZRGNBOEHPHBPE-HLTSFMKQSA-N 250.254 -0.054 10 10 CBCE NCc1ccc2c(c1)CCN2[C@H]1CS(=O)(=O)C[C@H]1O 2133389325 DURBXKMHJVPARI-QWHCGFSZSA-N 282.365 -0.334 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2136337987 CRBIFGCOVHKWGU-WOPDTQHZSA-N 290.722 -0.160 10 10 CBCE O=C(O)[C@H]1CNCCN1C(=O)Cc1ccc(O)c(O)c1 2144018721 JPGBHTQLAZZNAB-SECBINFHSA-N 280.280 -0.475 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(CCO2)C1 2171909918 SVDDKQODIALWQK-JTQLQIEISA-N 278.308 -0.031 10 10 CBCE CC1(C)[C@@H](O)[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2181217526 XTIKWNBTIYFOAC-YPMHNXCESA-N 281.308 -0.017 10 10 CBCE Nc1ccc(OCC(=O)N2CC(O)(CCO)C2)cc1 2270657325 OKZKLFSFSCCHTG-UHFFFAOYSA-N 266.297 -0.397 10 10 CBCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNn1cnnc1 2297559169 XVQUAXFSIPUOPS-UHFFFAOYSA-N 298.262 -0.012 10 10 CBCE C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 38437297 XZZCFGQMQZJPLF-XRGYYRRGSA-N 255.226 -0.338 10 10 CBCE COc1ccc([C@H](N)C(=O)NC[C@@H](C)O)c(O)c1 83398370 NENBPXZEEZTRGX-HQJQHLMTSA-N 254.286 -0.102 10 10 CBCE Nc1ccc(NC(=O)CN2CCN3C(=O)NC[C@@H]3C2)cc1 91752180 OWQVOIPLVDIGBH-GFCCVEGCSA-N 289.339 -0.083 10 10 CBCE Nc1ccc(NC(=O)CCN2CCNS2(=O)=O)cc1 308371672 ANXLAKBLMKAEMN-UHFFFAOYSA-N 284.341 -0.253 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCNC[C@@H](O)C1 310704366 XVPJIJYNFYGDAL-SECBINFHSA-N 252.270 -0.496 10 10 CBCE CNC(=O)CS(=O)(=O)CCc1ccc(N)cc1 383129603 RMIZHFATUACZCN-UHFFFAOYSA-N 256.327 -0.028 10 10 CBCE C[C@H](NC(=O)[C@@H]1CNCCS1(=O)=O)c1ccccc1O 1122191131 KHDVFRGZTOJPNO-CABZTGNLSA-N 298.364 -0.044 10 10 CBCE OCC(O)(CO)CNCc1ccc(F)c(F)c1O 1913795024 UZEPYIVBUOPZBI-UHFFFAOYSA-N 263.240 -0.524 10 10 CBCE Nc1ccc(CC(=O)OCC(CO)(CO)CO)cc1 2123223022 NGJKOPARKULDLZ-UHFFFAOYSA-N 269.297 -0.682 10 10 CBCE NC[C@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCOC1 2132413493 NPIWHSUUSXZKFT-GFCCVEGCSA-N 268.269 -0.349 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2136345774 WWJRKRQZXZFUBZ-AGIUHOORSA-N 286.759 -0.038 10 10 CBCE COC[C@@](O)(CO)CNC(=O)CCc1ccc(N)cc1 2158608917 ZYYPSCIJWGVXAF-AWEZNQCLSA-N 282.340 -0.313 10 10 CBCE Cc1cccc(O)c1CN1C[C@@H]2NC(=O)C(=O)N[C@H]2C1 2166790797 KWBKEJXBIFBFJT-QWRGUYRKSA-N 275.308 -0.501 10 10 CBCE CNCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166792415 DGNZNPYWFDFOFE-TXEJJXNPSA-N 274.324 -0.791 10 10 CBCE Nc1ccc(N2C(=O)N[C@@]3(CCS(=O)(=O)C3)C2=O)cc1 2172137888 OIGOGUYVKXERFF-GFCCVEGCSA-N 295.320 -0.118 10 10 CBCE OC[C@@H]1C[C@H](NCc2cc(F)cc(F)c2O)[C@H](O)[C@@H]1O 2177949524 SANKKJBXINLKEE-SWMFJSFKSA-N 289.278 -0.137 10 10 CBCE O=C(O)C1=C[C@@H](O)[C@H](NC(=O)c2cccc(O)c2O)C1 2188066552 QMQPFPRKYLJDQU-PSASIEDQSA-N 279.248 -0.028 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](N)C[C@@H](O)C1)NC(=O)CO2 2191619828 ATXIILQVZZVGCA-JGVFFNPUSA-N 278.312 -0.502 10 10 CBCE C[C@H](NC(=O)[C@@]1(O)CCNC[C@H]1O)c1ccccc1O 2197488092 JSDOZSMWFNRXEN-MRCXROJRSA-N 280.324 -0.345 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1O 2201032875 JPXIEBOWHAGHNF-DQBQHTNRSA-N 282.340 -0.425 10 10 CBCE CO[C@H]1[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 2271156570 SIJUBQHAUUXCKA-KDDOJWQBSA-N 267.281 -0.095 10 10 CBCE NCc1cn(CCNC(=O)c2cccc(O)c2O)nn1 2287067115 BEOKQJUEGHJRPG-UHFFFAOYSA-N 277.284 -0.422 10 10 CBCE Cc1cc(CO)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2311702168 SPGBJKUNKSZCEW-XQQFMLRXSA-N 253.298 -0.610 10 10 CBCE Nc1cc2c(cc1N1CCN(CCO)CC1)NC(=O)CO2 35609562 IHWYECZHCYKFBQ-UHFFFAOYSA-N 292.339 -0.286 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@H]1NCCc2c(O)ccc(O)c21 75799556 RSTUVTLYVKCFPW-AXFHLTTASA-N 269.253 -0.909 10 10 CBCE COC(=O)[C@@H](O)COC(=O)Cc1ccc(N)cc1 311155076 WYRHIWLJOYKMMV-JTQLQIEISA-N 253.254 -0.112 10 10 CBCE Nc1ccc(OCC(=O)NC2CS(=O)(=O)C2)cc1 379928044 SZOVWQRCFNPLBT-UHFFFAOYSA-N 270.310 -0.439 10 10 CBCE O=C(Cn1nc(O)ccc1=O)NCc1ccccc1O 701130078 ZBUFURURHIZDSE-UHFFFAOYSA-N 275.264 -0.029 10 10 CBCE COC(=O)[C@@H](N)CC(=O)NCc1ccccc1O 1219923383 KOBJOFRZYQXKEX-VIFPVBQESA-N 252.270 -0.101 10 10 CBCE NC(=O)[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1C(N)=O 1630581126 NXDFBQCFBCGACE-RNFRBKRXSA-N 283.309 -0.888 10 10 CBCE Cc1ccc(C(=O)N[C@@H](CO)c2nncn2C)c(O)c1O 1633498629 KFZCBLRDTDGKRI-VIFPVBQESA-N 292.295 -0.002 10 10 CBCE O=C1CN(NC(=O)c2c(F)ccc(O)c2O)C(=O)N1 1638137908 ROOFFCJYFNHVND-UHFFFAOYSA-N 269.188 -0.567 10 10 CBCE Cc1cccc(O)c1CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1963064552 WQIHDJJDOKWMKI-GHMZBOCLSA-N 277.324 -0.281 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2OCCN[C@@H]2C1 2097691850 CZOCUYKOHAKLAV-KOLCDFICSA-N 264.281 -0.089 10 10 CBCE NC(=O)C1(N)CCN(Cc2ccc(O)cc2O)CC1 2098047164 DBJSRTSVNJIYAE-UHFFFAOYSA-N 265.313 -0.124 10 10 CBCE CNC1(C(N)=O)CN(Cc2cccc(OC)c2O)C1 2109490670 HXPRKTHCYXKNMA-UHFFFAOYSA-N 265.313 -0.340 10 10 CBCE O=C1Nc2cc(N3CC(O)(CO)C3)c(Cl)cc2[C@H]1O 2115307784 DPNLTBAHYKLJBN-SNVBAGLBSA-N 284.699 -0.131 10 10 CBCE O=C(N[C@H]1CNCC[C@@H]1CO)c1cccc(O)c1O 2116268263 IZWGXVSDJRDEPP-SCZZXKLOSA-N 266.297 -0.202 10 10 CBCE O=C(N[C@H]1CCNC[C@H]1O)c1cc(O)c(O)c(O)c1 2132349125 ZBGPEKFWOCCMIM-OIBJUYFYSA-N 268.269 -0.744 10 10 CBCE Cc1cccc(CNS(=O)(=O)N2CCNCC2)c1O 2139762776 CKRVGSWHZIUTKW-UHFFFAOYSA-N 285.369 -0.060 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC([C@H](O)CO)CC1 2152471081 XMEKCTZNOMJSLD-SNVBAGLBSA-N 282.296 -0.302 10 10 CBCE NC[C@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@H]1CCO2 2175177192 RMJQMBNHRLBCOC-RNCFNFMXSA-N 279.296 -0.317 10 10 CBCE NCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1F 2225728727 MEVJIISAQOAKIE-OLZOCXBDSA-N 270.304 -0.421 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3[C@@H](O)CO)ccc21 2270707748 YHOSXMVXTJEMGN-WOPDTQHZSA-N 263.297 -0.430 10 10 CBCE COCCNC(=O)COC(=O)COc1ccc(N)cc1 49279306 MJRDQVYQPZLRIS-UHFFFAOYSA-N 282.296 -0.047 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@H]1NCCc2cc(O)c(O)cc21 83724774 PSQTTWGMCUUXOL-AXFHLTTASA-N 269.253 -0.909 10 10 CBCE CNC(=O)[C@@H]1CNCCN1Cc1cc(OC)ccc1O 89083042 DXJBVIACZXKIQZ-LBPRGKRZSA-N 279.340 -0.079 10 10 CBCE NC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 690736435 ZPDDUQPPVJLKGK-LLVKDONJSA-N 277.328 -0.050 10 10 CBCE COCC(=O)N(C)CC(=O)NCc1cccc(O)c1O 1521851878 QKWASGXHRWOHOM-UHFFFAOYSA-N 282.296 -0.181 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H](O)CO 1963565790 OPNAHMHUCQJQGB-VIFPVBQESA-N 255.270 -0.500 10 10 CBCE O=C(O)[C@H]1C=CCN1C(=O)c1cc(O)nc(O)c1 2056860724 QTRPTKOSXQZJQV-SSDOTTSWSA-N 250.210 -0.042 10 10 CBCE CN1CCc2cc([C@@H](Cn3cnnn3)NN)ccc21 2106862234 RKOVNSSHDGDGAX-LLVKDONJSA-N 259.317 -0.130 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCNC[C@@H]1CO 2132419949 YCPWNGSOQAKMDD-MRVPVSSYSA-N 268.269 -0.790 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O)c1cccc(O)c1O 2166416108 MEAHLTUNPJZFSW-JSHHOZFISA-N 279.292 -0.042 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@H](O)C3)ccc21 2188639213 RDLIAABHEBBKIG-XQQFMLRXSA-N 277.324 -0.169 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CCC3(CO)CO)cc21 2194351123 CJYOPSYCSWUNIB-LBPRGKRZSA-N 278.308 -0.370 10 10 CBCE CO[C@@H]1[C@@H](N)C[C@H]1NC(=O)c1cccc(O)c1O 2258689293 WPMZHUHZKHNANG-VAOFZXAKSA-N 252.270 -0.058 10 10 CBCE COc1ccc(N2CC3(CNC(=O)CO3)C2)c(CO)c1 2289660625 QKDOCZBOKIMQDD-UHFFFAOYSA-N 278.308 -0.107 10 10 CBCE CC(C)(O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 87018128 PZUMVIYQUXOQEE-VIFPVBQESA-N 268.313 -0.145 10 10 CBCE O=C1CN(C(=O)c2cccc(O)c2O)CC(=O)N1 159990393 SVDMJZMORMSYDX-UHFFFAOYSA-N 250.210 -0.804 10 10 CBCE CN(C[C@H](O)CN)c1ccc2c(c1)NC(=O)CO2 258900697 HORNPLIELSQMKJ-SECBINFHSA-N 251.286 -0.227 10 10 CBCE O=C(NC[C@H]1CN2CCN1CC2)c1ccc(O)c(O)c1 394825001 ZBUYVDMTACRJRS-NSHDSACASA-N 277.324 -0.173 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCN1CCNC1=O 1558398127 XLNSDQCLFVGDCD-UHFFFAOYSA-N 279.296 -0.218 10 10 CBCE NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccc(N)cc1 1876147854 AWSPAUXMWSDIBW-UWVGGRQHSA-N 264.285 -0.279 10 10 CBCE COC1CC(CO)(NC(=O)c2cc(O)nc(O)c2)C1 1898132681 MXWCDBOFVIYIEV-UHFFFAOYSA-N 268.269 -0.238 10 10 CBCE O=S(=O)(NCCc1ccc(O)c(O)c1)N1CC(O)C1 1914131217 BGWDDAFDZFKWPI-UHFFFAOYSA-N 288.325 -0.849 10 10 CBCE Cn1nncc1S(=O)(=O)NCc1ccc(N)cc1 2027852994 SIYDYVMNHLWDSH-UHFFFAOYSA-N 267.314 -0.124 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC(O)(CO)C3)c(Cl)cc21 2115313044 CMDQGMUNNLCEBV-SNVBAGLBSA-N 283.715 -0.165 10 10 CBCE CN(C)c1ccc(CNC(=O)N[C@@H](CO)C(=O)O)cc1 2160470410 RQXGUOKXTIDKOV-NSHDSACASA-N 281.312 -0.003 10 10 CBCE CC1(C)[C@@H](O)[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188875337 PVFAKGXKIYOKII-KOLCDFICSA-N 283.280 -0.240 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2219635818 RNIVUJYVOXUJDY-QWHCGFSZSA-N 253.298 -0.010 10 10 CBCE NC(=O)c1nc(CNCc2ccc(O)c(O)c2)no1 2270350259 DFMQHSNZJMKHEA-UHFFFAOYSA-N 264.241 -0.131 10 10 CBCE Nc1ccc(NC(=O)N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2289487973 FEPNNOVUAFNMJC-KPXOXKRLSA-N 281.312 -0.553 10 10 CBCE C[C@](O)(CO)CNC(=O)CCOc1ccc(N)cc1 90283860 GKZITZZFXNKTBA-CYBMUJFWSA-N 268.313 -0.103 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)[C@H](O)C1)OCCO2 236368769 AIBJMVWVQQGSDH-NXEZZACHSA-N 252.270 -0.418 10 10 CBCE CC(CO)(CO)CNS(=O)(=O)Cc1ccc(N)cc1 393897536 TXUUDTGDAOPLAF-UHFFFAOYSA-N 288.369 -0.321 10 10 CBCE COc1ccc([C@H](C)NC(C(N)=O)C(N)=O)c(O)c1 695276974 OHOBLXLTTQGWOJ-LURJTMIESA-N 267.285 -0.609 10 10 CBCE CN(C(=O)CN(C)[C@@H]1COC[C@H]1O)c1ccc(N)cc1 709258385 NMPMPHGIDPQUMJ-CHWSQXEVSA-N 279.340 -0.077 10 10 CBCE NC(=O)CC[S@](=O)C[C@@H](O)COc1ccc(N)cc1 722444225 KLKUBYDFMWHFNN-OVWNDWIMSA-N 286.353 -0.367 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@H]1CCNC1=O 1916802618 OTRWSPGQSWZEMK-WDEREUQCSA-N 260.297 -0.037 10 10 CBCE Nc1ccc(CO[C@H]2CS(=O)(=O)C[C@H]2O)cc1 1924871811 HAPPHKWARQDSGS-MNOVXSKESA-N 257.311 -0.057 10 10 CBCE O=[N+]([O-])c1cccc(O)c1[C@H]1CS(=O)(=O)NCCN1 1952941453 COBIECWUQHTYOO-SSDOTTSWSA-N 287.297 -0.136 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)ccc1CO 2080937765 HXBTWWPGYIHELZ-AGIUHOORSA-N 253.298 -0.610 10 10 CBCE C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(O)cc1O 2121364983 RRUUWJKICJLRIB-KOLSJAJHSA-N 287.337 -0.094 10 10 CBCE COCCN(CCO)C(=O)c1cc(O)c(O)c(O)c1 2132348527 NRAHYRAHCGEARX-UHFFFAOYSA-N 271.269 -0.116 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCNC[C@H](O)C1 2132413650 OVLHOFBGLAPLCU-QMMMGPOBSA-N 268.269 -0.790 10 10 CBCE NCCc1nnc(NC(=O)c2cc(O)nc(O)c2)o1 2138793683 NXWMRPLSYBHOQC-UHFFFAOYSA-N 265.229 -0.371 10 10 CBCE CN1CCc2cc([C@@H](N)[C@@H](O)c3nnn(C)n3)ccc21 2163139496 AZXXPHAGQIIBDN-VXGBXAGGSA-N 274.328 -0.064 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@H](O)C1 2177948149 KBMKHYCWNVBBSU-VWYCJHECSA-N 280.324 -0.003 10 10 CBCE C[C@]1(O)CCN(C(=O)COc2ccc(N)cc2)C[C@H]1O 2197969331 YMHDQYJLXIXVNE-OCCSQVGLSA-N 280.324 -0.008 10 10 CBCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1COc1nnc(=N)[nH]n1 2209172632 HQWAGCJNKYORSP-RQJHMYQMSA-N 282.304 -0.029 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2289409966 YRUJSOFWHHGOPT-AEGPPILISA-N 280.368 -0.054 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332923803 YRGMXTOCOMOFQB-XQQFMLRXSA-N 270.304 -0.552 10 10 CBCE C[C@@H](O)[C@@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341154051 HFALUYNRUCSXMI-JMCQJSRRSA-N 266.297 -0.309 10 10 CBCE COC(=O)[C@@H](O)CNCc1ccc(O)c(O)c1O 83419040 WCRMDTPZFSMGTN-QMMMGPOBSA-N 257.242 -0.573 10 10 CBCE [N-]=[N+]=N[C@H]1[C@@H](n2ccc(N)nc2=O)C[C@H](CO)[C@H]1O 256011843 XSOIFZFGJWIAOQ-CRYJXSNHSA-N 266.261 -0.581 10 10 CBCE O=C(NC(C(=O)O)C(=O)O)c1cccc(O)c1O 385157023 AQXLUYQJLWOWAW-UHFFFAOYSA-N 255.182 -0.635 10 10 CBCE NC(=O)[C@@H]1CN(c2ccc(CO)c(Cl)c2)C[C@H]1C(N)=O 693380813 ZDATYOVKNZAFIZ-NXEZZACHSA-N 297.742 -0.145 10 10 CBCE Cc1cc(CO)ccc1N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 693462403 MALJHCYOXKXDJO-GHMZBOCLSA-N 277.324 -0.490 10 10 CBCE C[C@]1(CO)CNCCN1C(=O)c1cc(O)nc(O)c1 719181068 NJWOLJLXBNUGID-GFCCVEGCSA-N 267.285 -0.711 10 10 CBCE NC[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 2016965115 URQYLYVUWUADRY-SNVBAGLBSA-N 259.331 -0.992 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1ccc(F)cc1O 2084096630 HFIWDSKYFATGRV-UHFFFAOYSA-N 255.249 -0.696 10 10 CBCE NC(=O)NC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2106928607 WFBKJFKAFJPALU-UHFFFAOYSA-N 284.341 -0.549 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@]2(CO)C[C@]2(CO)C1 2146314222 QLIHLKJJMMRGQP-ZIAGYGMSSA-N 279.292 -0.085 10 10 CBCE Oc1cc2c(cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O)OCO2 2165123583 PAMWFWJIUZZKAV-OSXSSCDZSA-N 283.280 -0.935 10 10 CBCE COc1ccc(N2CC(O)(C(N)=O)C2)c(C=O)c1 2220432603 YRYVPEGHPYNRIU-UHFFFAOYSA-N 250.254 -0.456 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)OCCCO2 2235131670 NBSBGYDFZMALER-SUNKGSAMSA-N 281.308 -0.249 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@]23CNC[C@H]2C3)cc1 2238858944 STGBAJFDOXZFNH-MFKMUULPSA-N 297.380 -0.071 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2312394076 ALENDPUIZPAFNA-TUAOUCFPSA-N 257.261 -0.263 10 10 CBCE COC(=O)CCNC(=O)[C@H](N)c1ccc(O)cc1O 83496871 ZUZAGBXOHWCWAG-LLVKDONJSA-N 268.269 -0.223 10 10 CBCE C[C@@H](CC(N)=O)NS(=O)(=O)Cc1ccc(N)cc1 136074812 UYZBEVXFTLTYKI-QMMMGPOBSA-N 271.342 -0.048 10 10 CBCE O=C1CN(c2ccc([N+](=O)[O-])c(CO)c2)CC(=O)N1 236508578 KTQICOCKVWPJGN-UHFFFAOYSA-N 265.225 -0.450 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCOC[C@H]3CO)cc21 253077198 RXBZENNTJVVARG-MFKMUULPSA-N 277.324 -0.140 10 10 CBCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@@H](CO)C1 699451191 RJUWNJCDOMXJFP-CYBMUJFWSA-N 299.396 -0.293 10 10 CBCE COC(=O)C1(O)CN(Cc2cc(N)ccc2O)C1 714504955 WRAUCZBEYNBPBT-UHFFFAOYSA-N 252.270 -0.306 10 10 CBCE [N-]=[N+]=NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1912147014 GLJGEDDMJWRIKG-SSDOTTSWSA-N 266.261 -0.303 10 10 CBCE Nc1ccc(CNS(=O)(=O)N2CC(O)C2)cc1 1914181788 JNGCSDXRIVHZPQ-UHFFFAOYSA-N 257.315 -0.720 10 10 CBCE COc1cc([C@@H]2CS(=O)(=O)NCCN2)cc(O)c1O 1952677555 IZTDIJSXGQTTFY-QMMMGPOBSA-N 288.325 -0.330 10 10 CBCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCCNC(=O)C1 2042110714 ATBZWRJNNVKHCJ-JTQLQIEISA-N 254.294 -0.199 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)C[C@H](O)C2)cc1 2043185519 WTSFPOFKOHCINO-RYUDHWBXSA-N 250.298 -0.235 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@@H](F)C1 2068566251 IRHDCCGZLLNBHP-RCOVLWMOSA-N 257.217 -0.042 10 10 CBCE NCc1ccc(N2CC([C@@H]3NC(=O)NC3=O)C2)cc1 2128526323 MNZSRKBQXRMBST-NSHDSACASA-N 260.297 -0.211 10 10 CBCE C[C@](O)(CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348517 NLDYSPMKJZGQBG-NSHDSACASA-N 271.225 -0.631 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1CC(O)(C(=O)O)C1 2184243265 MAHPFFQEAAEURL-UHFFFAOYSA-N 281.264 -0.265 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1O 2188868493 SABLYJBRGDNILO-LDYMZIIASA-N 282.296 -0.450 10 10 CBCE Nc1ccc(CCN2CC[C@](O)(CO)[C@@H](O)C2)cc1 2225730928 BCPAAPVSUWNZAK-KBPBESRZSA-N 266.341 -0.399 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](C(=O)O)C1CC1 54523936 IIBBGTGZJUBNMQ-JOYOIKCWSA-N 294.307 -0.053 10 10 CBCE Nc1ccc(NC(=O)CCN2CC(=O)NC(=O)C2)cc1 97267621 GSWQNOLLYDNMOH-UHFFFAOYSA-N 276.296 -0.444 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN[C@@H](CCO)C1 710596645 QGDNQMMCEIMPHS-VIFPVBQESA-N 267.285 -0.711 10 10 CBCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(O)c(O)c1 1319904246 HWYWVJVQIFUNGC-ZETCQYMHSA-N 279.252 -0.688 10 10 CBCE CS(=O)(=O)NCCC(=O)NCc1c(O)cccc1O 1652622630 BRKQQCLUOQBYEZ-UHFFFAOYSA-N 288.325 -0.347 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2CCNC2=O)cc1 1887193402 ZPMWWAUQQXQTBJ-VIFPVBQESA-N 263.297 -0.100 10 10 CBCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1CS(=O)(=O)C1 1912145869 MFQCCPRWPVXTTM-VIFPVBQESA-N 275.334 -0.435 10 10 CBCE COC(=O)C1(NC(=O)c2cccc(O)c2O)CNC1 1913921926 QMQZBNAYXHUDQY-UHFFFAOYSA-N 266.253 -0.657 10 10 CBCE NCC1(O)CN(c2cc3c(cc2N)OCCO3)C1 2071648742 SFSCUBBGXBQJRG-UHFFFAOYSA-N 251.286 -0.450 10 10 CBCE CN1C[C@@H](Cn2ccc3c(c2=O)CNCC3)CC1=O 2094404280 IHMIRHWQDWDOIO-JTQLQIEISA-N 261.325 -0.028 10 10 CBCE O=C1NCC2(CN(C(=O)c3cccc(O)c3O)C2)N1 2121188620 OJNJGKFVLZKPRC-UHFFFAOYSA-N 263.253 -0.395 10 10 CBCE CC[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2184133919 YNOITDPOBZFIDN-NEPJUHHUSA-N 277.324 -0.080 10 10 CBCE N=c1nnc(OC[C@@]23CCCC[C@@H]2CNC3)n[nH]1 2222986828 RPYCSCLJTUVJNP-KCJUWKMLSA-N 250.306 -0.162 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2356974888 GBHBDVKXJINBII-JDYBYMESSA-N 281.264 -0.631 10 10 CBCE COC(=O)CN(CC(N)=O)Cc1ccc(N)cc1 35081201 VOHWCAUCAWCLDJ-UHFFFAOYSA-N 251.286 -0.271 10 10 CBCE CN(C)CCNC(=O)[C@H](N)c1ccc(O)c(O)c1 83395665 OPKOKVZLIRSBHG-LLVKDONJSA-N 253.302 -0.225 10 10 CBCE C[C@@](O)(CO)CNC(=O)CCOc1ccc(N)cc1 90283861 GKZITZZFXNKTBA-ZDUSSCGKSA-N 268.313 -0.103 10 10 CBCE CN(C[C@H](O)CN)c1ccc2c(c1)N(C)C(=O)CO2 258793765 BWJYHJDUGSNQIG-SNVBAGLBSA-N 265.313 -0.202 10 10 CBCE CNC(=O)NCCNC(=O)[C@H]1CNc2ccccc2N1 397397816 CCTKYKAYYCTTJK-LLVKDONJSA-N 277.328 -0.062 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=N)nc2O)[C@@H](O)[C@@H]1F 606567269 PCPGVUKMIADCCP-XZMZPDFPSA-N 286.223 -0.705 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@H]3CO)c(F)cc2[C@@H]1O 698135040 ACRGZXHONKEULU-KJNMHVQDSA-N 282.271 -0.257 10 10 CBCE CS(=O)(=O)C1CC(NCCCN=[N+]=[N-])(C(N)=O)C1 716072662 MEKBYUCAJJVYPR-UHFFFAOYSA-N 275.334 -0.293 10 10 CBCE CCONC(=O)CNC(=O)Cc1ccc(O)c(O)c1 1640758096 CZPUSVNJUYDWMS-UHFFFAOYSA-N 268.269 -0.176 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N(CCO)CCO 1866302812 FHKXOFXRMOGFAN-UHFFFAOYSA-N 257.242 -0.770 10 10 CBCE CON(CCC(=O)O)C(=O)c1cc(O)nc(O)c1 2040583336 MUJPVYMBLHIFKH-UHFFFAOYSA-N 256.214 -0.029 10 10 CBCE C[C@@H](c1cc(O)ccc1O)N1CC(N)(C(N)=O)C1 2047099750 YVJHTWSZTJKOOQ-ZETCQYMHSA-N 251.286 -0.343 10 10 CBCE COc1cc(C(=O)N[C@H](CN)CO)cc(OC)n1 2062352824 OPQRUFJRNCCFIN-MRVPVSSYSA-N 255.274 -0.852 10 10 CBCE N[C@@H]1COCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2092391408 SWNRZFNQAWITJA-ZJUUUORDSA-N 266.297 -0.127 10 10 CBCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2136336500 MJSNEZJRAXDPSY-ZOBORPQBSA-N 266.341 -0.001 10 10 CBCE CNC1CN(S(=O)(=O)NCc2cccc(C)c2O)C1 2139763643 IDDLFRQBVOAWFW-UHFFFAOYSA-N 285.369 -0.061 10 10 CBCE O=C(O)CN1CC[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2169326776 FUSYKVCYJJYARB-QMMMGPOBSA-N 281.268 -0.619 10 10 CBCE Nc1ccc(OCCN2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2183626758 LAIIIZRDCIFAND-OLZOCXBDSA-N 280.324 -0.546 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CCC[C@H]2N 2184687394 RCTCKJRYVABVEY-GFCCVEGCSA-N 276.340 -0.200 10 10 CBCE Nc1ccc(CCN2CC([C@@H]3NC(=O)NC3=O)C2)cc1 2184961638 YARXTESDYNEBCO-LBPRGKRZSA-N 274.324 -0.049 10 10 CBCE CO[C@@H]1C[C@@H](N)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188908254 BCVNIFYXUKZEPU-RKDXNWHRSA-N 282.296 -0.008 10 10 CBCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2200989685 AFDPLEYLMASPPW-DYEKYZERSA-N 280.324 -0.874 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)CCC[C@H]2O 2201007137 RHEFVQWVIVDVGH-TUVASFSCSA-N 279.336 -0.041 10 10 CBCE O=C(CN1C[C@H](O)[C@H](O)[C@H]1CF)c1ccc(O)c(O)c1 2205617708 ITIFSSBULINCOK-OXHMUOHRSA-N 285.271 -0.344 10 10 CBCE N=c1nnc(OC[C@]2(CN)C[C@@H]2C(F)(F)F)n[nH]1 2219017648 OKAIFKRRHPNDLM-MHTLYPKNSA-N 264.211 -0.415 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(CO)c1 2220426575 FRZYZXFZFFUGSV-ZWNOBZJWSA-N 253.298 -0.023 10 10 CBCE Cc1ccc(O)c(CN2C[C@@H](O)[C@@H](O)[C@H]2C(=O)O)c1 2332874419 XUPBCTLPPUHKRB-GRYCIOLGSA-N 267.281 -0.309 10 10 CBCE Nc1ccc(CC(=O)N[C@@H](CCO)C(=O)O)cc1 40699454 STJXRRZKBNAFOK-JTQLQIEISA-N 252.270 -0.237 10 10 CBCE CC(=O)NC1CN(C[C@@H](O)COc2ccc(N)cc2)C1 387760404 FMLNSGJHFWTCRX-CYBMUJFWSA-N 279.340 -0.171 10 10 CBCE C[C@@H](NC(C(N)=O)C(N)=O)c1cc(F)ccc1O 695356159 WRDVIJOKANJSJG-RXMQYKEDSA-N 255.249 -0.479 10 10 CBCE CN1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)NC1=O 830531854 NXYGGYIPDKHJHP-SECBINFHSA-N 279.296 -0.220 10 10 CBCE Nc1ccc(CN2CC[C@](O)(C(=O)O)[C@H](O)C2)cc1 1891270280 RANHYLFMTJVMCZ-DGCLKSJQSA-N 266.297 -0.349 10 10 CBCE [N-]=[N+]=NCCCCNS(=O)(=O)N1CC[C@@H](O)C1 1912178354 MGIWSGFEOOTHFK-MRVPVSSYSA-N 263.323 -0.022 10 10 CBCE Cn1c(O)nnc1NC(=O)c1cc(O)nc(O)c1 2079017867 JVSFPNURHAAVEA-UHFFFAOYSA-N 251.202 -0.421 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCNC[C@@H]1O 2087724437 HHWOEYKITKTTAX-CABZTGNLSA-N 266.297 -0.521 10 10 CBCE O=C1CN(Cc2c(O)cccc2F)[C@H](C(=O)O)CN1 2136350007 JWXUYXFSUVRYTO-VIFPVBQESA-N 268.244 -0.084 10 10 CBCE CNC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 125685753 MMNPADDXYQPTQR-VIFPVBQESA-N 267.285 -0.447 10 10 CBCE NC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1O 126518546 HWVGJYCJOGOYCG-QMMMGPOBSA-N 266.253 -0.576 10 10 CBCE CN1CC[C@](O)(CNC(=O)c2cc(O)nc(O)c2)C1 702576278 GGPGORMCPQBJLT-LBPRGKRZSA-N 267.285 -0.711 10 10 CBCE N[C@H]1COCC[C@H]1NC(=O)c1cccc(O)c1O 707049707 RRHDFXATPZGKTD-DTWKUNHWSA-N 252.270 -0.056 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@H](O)C1 720947810 RIYAWPVKOXAMPJ-DCAQKATOSA-N 280.324 -0.145 10 10 CBCE O=C(N[C@H]1CCNC1=O)c1c(F)ccc(O)c1O 857303035 KHGIJSXSZYVSAS-LURJTMIESA-N 254.217 -0.145 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CNOC2)cc1 2016968905 DMKJYTOIJNMXEH-JTQLQIEISA-N 257.315 -0.408 10 10 CBCE Cn1cccc([C@@H](NCCN=[N+]=[N-])C(N)=O)c1=O 2057620433 LOPWUWSFXAIVMR-MRVPVSSYSA-N 250.262 -0.188 10 10 CBCE CO[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N 2058633533 AYMZMYMYQKRAGX-WCBMZHEXSA-N 252.270 -0.104 10 10 CBCE N[C@H]1COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068627347 GJVYULFQQHXXNC-NKWVEPMBSA-N 254.242 -0.741 10 10 CBCE O=C(c1cccc(O)c1O)N(C1CNC1)C1COC1 2087482763 FNYIPCGOKOCBAW-UHFFFAOYSA-N 264.281 -0.089 10 10 CBCE [N-]=[N+]=NCC1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 2117733549 XXDBFAVXVPMEKP-LURJTMIESA-N 266.261 -0.209 10 10 CBCE CC(C)(O)[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2131487338 FTVFYIHSMLQMDE-MRVPVSSYSA-N 270.241 -0.553 10 10 CBCE O=C(NC[C@@H]1COC[C@H]1O)c1cc(O)c(O)c(O)c1 2132348164 FSDQEOQIEFLADW-GMSGAONNSA-N 269.253 -0.460 10 10 CBCE CN(C)[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1O 2146137860 LSIWAUZGAINFNY-OLZOCXBDSA-N 299.396 -0.295 10 10 CBCE Nc1ccc(CCC(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)cc1 2165122856 OLFZHPYVXGVZTG-ZMJPVWNMSA-N 280.324 -0.827 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNCC[C@@H]1CO 2172893275 PAWQHMKBSYLKLB-GHMZBOCLSA-N 280.324 -0.273 10 10 CBCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H](CO)C1 2188868902 YTXZTVRCWFJDJC-SECBINFHSA-N 282.296 -0.448 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2273786813 KAZUZCMYPZJKNG-UBHSHLNASA-N 266.341 -0.444 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1CO 2311703028 HXBTWWPGYIHELZ-XQQFMLRXSA-N 253.298 -0.610 10 10 CBCE CNC(=O)[C@H](C)N(CC(N)=O)Cc1ccc(N)cc1 35366655 IZASOWHKNXZIRJ-VIFPVBQESA-N 264.329 -0.309 10 10 CBCE COc1ccc(O)c([C@@H](C)NC(C(N)=O)C(N)=O)c1 695274707 AUPXQUDVASXUID-ZCFIWIBFSA-N 267.285 -0.609 10 10 CBCE CN(C)C[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1140127796 KZOMXKOOBLXSAO-SNVBAGLBSA-N 268.313 -0.321 10 10 CBCE COc1cc(N)c(N2CC(N)(C(N)=O)C2)cc1OC 1876390400 OJQLAXGHWHSZOJ-UHFFFAOYSA-N 266.301 -0.711 10 10 CBCE NC(=O)CO[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 1971441292 MUOGJUIPGJBSKA-MRVPVSSYSA-N 280.280 -0.186 10 10 CBCE [N-]=[N+]=NC1CN(S(=O)(=O)N2CCC[C@@H]2CO)C1 1998667141 PWRLROXWHIDYNJ-MRVPVSSYSA-N 261.307 -0.318 10 10 CBCE Oc1c(F)cccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046514508 NZSDZOJQJWTNMP-DMWPJOQESA-N 257.261 -0.524 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1F 2081010683 XUGDBNOXGRJLMJ-SDDRHHMPSA-N 256.277 -0.813 10 10 CBCE CC(=O)O[C@@H]1[C@@H](CO)O[C@H](O)[C@H](N=[N+]=[N-])[C@H]1OC(C)=O 2081162008 QCBWHSDRYPSJPB-IGORNWKESA-N 289.244 -0.762 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1O 2188908558 DDKHTJKFDKMIPH-ZQARSLAVSA-N 282.296 -0.369 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2289487290 FFWDZHMUMGIJNF-WNIABHAQSA-N 284.331 -0.004 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(OC)c1 2289510131 DKMRMJBILGFEFY-WFBYXXMGSA-N 283.324 -0.146 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2332922759 GWCHZUUHSMXPDN-XQQFMLRXSA-N 286.759 -0.038 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H]3CO)ccc21 698113637 GNTSXTXEVMEBTJ-PTRXPTGYSA-N 263.297 -0.430 10 10 CBCE NC(=O)CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 700772130 BIXBUGHPMIYAMW-UHFFFAOYSA-N 276.340 -0.559 10 10 CBCE CN1CC(=O)N(CC(=O)NCCCN=[N+]=[N-])C1=O 701319540 RHPURPRVVZKIJS-UHFFFAOYSA-N 254.250 -0.303 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@H]2CO)cc1 2101298164 JKLIPEOMMXJFJZ-CABZTGNLSA-N 286.353 -0.052 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2104425628 QTAQWLFZDVWXKQ-QEGRKFQGSA-N 262.309 -0.236 10 10 CBCE O=C(N[C@H]1CCNC[C@@H]1CO)c1cc(O)nc(O)c1 2116265071 IXEQAYMTGIPCOJ-BDAKNGLRSA-N 267.285 -0.807 10 10 CBCE O=C(N=c1ccc(O)n[nH]1)c1cc(O)c(O)c(O)c1 2132348961 VZJJYYVVRRCOBX-UHFFFAOYSA-N 263.209 -0.027 10 10 CBCE COc1cc(N2CCOC[C@@H]2C(N)=O)ccc1CO 2139682105 BXTGWDUIRPTBMS-LLVKDONJSA-N 266.297 -0.122 10 10 CBCE CN(C)[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1O 2146156993 NOWIQVPTTKDLNZ-YGRLFVJLSA-N 280.324 -0.113 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)C[C@H]3CO)ccc21 2200827436 DRVGBTOITOGIFA-CWSCBRNRSA-N 277.324 -0.040 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H]2[C@@H](O)CO)cc1 2270702644 CLZDJGUVMUGVID-NEPJUHHUSA-N 266.297 -0.398 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1C 2289408849 VWXJJZRCAWBORY-AEGPPILISA-N 280.368 -0.135 10 10 CBCE O=C(N[C@H]1[C@H]2CN[C@@H]1C2)c1cc(O)c(O)c(O)c1 2311831855 GHRAUPATLFKNTK-XSSZXYGBSA-N 250.254 -0.107 10 10 CBCE NC(=O)C[C@H]1CNCCN1Cc1ccc(O)cc1O 2343349027 MMOQIZPBWZQRGA-JTQLQIEISA-N 265.313 -0.253 10 10 CBCE CSc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1CN 2353849715 QTLUNGSRYDTYPN-WZRBSPASSA-N 284.381 -0.230 10 10 CBCE C[C@@H](CNCc1cccc(O)c1O)S(N)(=O)=O 398297910 SJNUUSAIGLRXEB-ZETCQYMHSA-N 260.315 -0.136 10 10 CBCE NC(=O)N1CCN(CC(=O)c2ccc(O)c(O)c2)CC1 722195145 UNTPHZDHLNWSHU-UHFFFAOYSA-N 279.296 -0.023 10 10 CBCE CC(=O)NC1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 723182636 NGGDZGPCCUDCQG-ZDUSSCGKSA-N 274.324 -0.013 10 10 CBCE CN(CCO)CCNC(=O)Cc1ccc(O)c(O)c1 1638257399 UYEYNDAOAYNJTE-UHFFFAOYSA-N 268.313 -0.319 10 10 CBCE O=C(NCc1ccccc1O)[C@@]1(O)CCNC[C@H]1O 1890422162 PRJFZFLPWQUIEF-DGCLKSJQSA-N 266.297 -0.906 10 10 CBCE C[C@@H](O)[C@@H](N)CNC(=O)Cc1ccc(O)c(O)c1 2027479346 IHPMIGUIZSZBJM-APPZFPTMSA-N 254.286 -0.535 10 10 CBCE [N-]=[N+]=NCCCCN1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1 2047956669 QTAYKIWGNFIYBR-OCAPTIKFSA-N 252.278 -0.624 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@H]2C[C@H]21 2068616085 WRTJECMCWCMFHF-JGVFFNPUSA-N 250.254 -0.010 10 10 CBCE CO[C@@H]1C[C@H](CN)N(C(=O)c2cc(O)nc(O)c2)C1 2090743524 NTKFDYAKGGEWAK-RKDXNWHRSA-N 267.285 -0.319 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2O)C[C@@H]1O 2116186950 DVIFUOQORPQMSG-NMLBEHRDSA-N 266.297 -0.074 10 10 CBCE CC(C)(O)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2131445463 AMYOYDOMKBVPSE-LLVKDONJSA-N 268.313 -0.145 10 10 CBCE CN1C[C@H](C(=O)O)N(Cc2ccc(O)c(O)c2)CC1=O 2143808514 RTQGKUFTUSGPRM-SECBINFHSA-N 280.280 -0.175 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)CC12CNC2 2188921923 DNUFAMDCYGZSIP-MRVPVSSYSA-N 280.280 -0.648 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1C 2219693890 FQNGFAWVIACQAT-GVXVVHGQSA-N 253.298 -0.094 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2COC)cc1 2225702983 UCPPYFPBHFIRPK-MELADBBJSA-N 266.341 -0.037 10 10 CBCE O=C1CCC2(CN(C(=O)c3cc(O)c(O)c(O)c3)C2)N1 2238025516 OJYOOKOUCNKVSX-UHFFFAOYSA-N 278.264 -0.092 10 10 CBCE Cc1cc(N2CCNC(=O)[C@H]2C(N)=O)ccc1[C@H](C)O 2285163623 YTTOUTFNGQCNFY-JOYOIKCWSA-N 277.324 -0.162 10 10 CBCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332921186 YOEUVVBIOLFSTA-UMNHJUIQSA-N 274.267 -0.674 10 10 CBCE Cc1cccc([C@@H](N)C(=O)NC[C@@H](O)CO)c1O 83398391 NSECWHWBOJZHSY-PSASIEDQSA-N 254.286 -0.830 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@@H](CO)C1 699435434 QZKUIJOMJXDFPZ-ZWNOBZJWSA-N 277.324 -0.215 10 10 CBCE O=C(N[C@H]1CCNC[C@H]1O)c1ccc(O)c(O)c1 710368174 JJLQHDONTBUEMC-GZMMTYOYSA-N 252.270 -0.450 10 10 CBCE O=C(NC[C@@]1(C(=O)O)CCCO1)c1cc(O)nc(O)c1 1923254074 IOYAIHNCVORVGA-GFCCVEGCSA-N 282.252 -0.144 10 10 CBCE CN(CCN=[N+]=[N-])S(=O)(=O)N1CCC[C@H]1CO 1998666540 FZHWAKCVXBYHMP-QMMMGPOBSA-N 263.323 -0.070 10 10 CBCE N[C@H]1COC[C@H]1CNC(=O)c1ccc(O)c(O)c1 2036569408 UVFMGWFECJBOBX-BDAKNGLRSA-N 252.270 -0.199 10 10 CBCE O=C(O)C1(CO)CN(Cc2ccc(O)c(O)c2)C1 2081048352 AWTRTLBYUPVMTI-UHFFFAOYSA-N 253.254 -0.023 10 10 CBCE O=C(O)CN1CC(NC(=O)c2ccc(O)c(O)c2)C1 2113033743 SPVOZFWRYYNUDL-UHFFFAOYSA-N 266.253 -0.404 10 10 CBCE O=C(N[C@@H]1CCO[C@H](C(=O)O)C1)c1cc(O)nc(O)c1 2194366934 TUSYBIZIDMGWDL-SFYZADRCSA-N 282.252 -0.145 10 10 CBCE O=C(NC1CC(O)(CO)C1)c1cc(O)c(O)c(O)c1 2269144597 JCIFKNBORUCTHA-UHFFFAOYSA-N 269.253 -0.581 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1F 2289486496 WYECXQDKASDBLX-DVYJOKAKSA-N 288.294 -0.426 10 10 CBCE Oc1c(Cl)cccc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309043029 UHENMCKMQFWMPJ-SPFNVWMYSA-N 273.716 -0.010 10 10 CBCE N[C@H](CC(=O)NCc1cccc(F)c1O)C(=O)O 83413902 UVSDGZRXAGNULW-MRVPVSSYSA-N 256.233 -0.051 10 10 CBCE CN1CCN(NC(=O)c2cc(O)nc(O)c2)CC1 170223567 XDZRFINMQLVQJF-UHFFFAOYSA-N 252.274 -0.615 10 10 CBCE NC(=O)CN(CC(N)=O)[C@H]1CCc2cccc(O)c21 312099160 SWSNGAPGFTVKBN-VIFPVBQESA-N 263.297 -0.348 10 10 CBCE C[C@H](N)c1ccc(N2CC[C@](O)(C(N)=O)C2)cc1O 388899718 KUOJCTZICGFFNQ-ISVAXAHUSA-N 265.313 -0.162 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)[C@@H](CO)C1 396809759 QDRBYBBMIXNSDK-RKDXNWHRSA-N 268.269 -0.692 10 10 CBCE O=C(N[C@H]1C=CS(=O)(=O)C1)c1cc(O)c(O)c(O)c1 1148589607 DNURVTRNZAXIHZ-ZETCQYMHSA-N 285.277 -0.156 10 10 CBCE NCCS(=O)(=O)NCCc1ccc(O)c(O)c1 1238457436 VITUGPYVRZXCAE-UHFFFAOYSA-N 260.315 -0.482 10 10 CBCE N[C@@H]1COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068627350 GJVYULFQQHXXNC-RNFRBKRXSA-N 254.242 -0.741 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2140663927 PRNOCXIDIYHPLW-GVXVVHGQSA-N 268.288 -0.287 10 10 CBCE NC(=O)C1(O)CN(c2ccc3c(c2)OCCO3)C1 2219588998 HVXDGPYJQTUPCN-UHFFFAOYSA-N 250.254 -0.506 10 10 CBCE CN(C(=O)CN1C[C@@H](CO)[C@@H](O)C1)c1ccc(N)cc1 316045504 FXGBERRGUDBOAV-GWCFXTLKSA-N 279.340 -0.483 10 10 CBCE Nc1ccc(OCC(=O)N2CCC(CO)(CO)C2)cc1 694649830 YHUYDCKUFKMKHK-UHFFFAOYSA-N 280.324 -0.149 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCOC[C@@H]2O)cc1 706777687 LCTKXAKSADFNKP-NEPJUHHUSA-N 286.353 -0.162 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(CN)c(F)c1 720544396 RBIDGZDLGXQDHP-UHFFFAOYSA-N 282.319 -0.417 10 10 CBCE CC(=O)C(=O)COC(=O)[C@H]1CCC[C@H](C(N)=O)C1 808539773 JINOGXFOJAVLGC-IUCAKERBSA-N 255.270 -0.021 10 10 CBCE O=C(NCc1nc(=O)o[nH]1)c1c(F)ccc(O)c1O 1306821056 KSIITQMPSWSOCZ-UHFFFAOYSA-N 269.188 -0.157 10 10 CBCE O=C1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C(=O)N1 1654435902 PVAFAEAFBKZCDB-LURJTMIESA-N 282.227 -0.228 10 10 CBCE O=S1(=O)CCNC[C@H]1c1ccc(O)c(O)c1O 1952524920 AZPIKNDHQFLFHX-QMMMGPOBSA-N 259.283 -0.138 10 10 CBCE NC(=O)COC1CN(Cc2cc(N)ccc2O)C1 2028713008 JMPKFVWSQLETIG-UHFFFAOYSA-N 251.286 -0.340 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1F 2081010682 XUGDBNOXGRJLMJ-GRYCIOLGSA-N 256.277 -0.813 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCOC[C@@H]2CNC3)C1 2112574670 WZVBLTZRZDPETC-AYGWYOGXSA-N 266.341 -0.122 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1O 2136289515 XNYUOBIBPNXKCZ-QNWTXNENSA-N 269.297 -0.652 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@@H]3COC[C@@H]32)cc1 2158407758 FNLMTCCWSXHFJM-AGIUHOORSA-N 277.324 -0.101 10 10 CBCE COc1cc(N2CCOC[C@@H]2[C@@H](O)CO)ccc1CO 2204557159 MNUYXQZKJGNWSS-OLZOCXBDSA-N 283.324 -0.254 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2205613035 OQGVGKCJZONNPD-GMXVVIOVSA-N 284.287 -0.450 10 10 CBCE C[C@@H](CN(CC(N)=O)Cc1ccc(N)cc1)C(N)=O 35366651 QSRCDLJJDPVNRP-VIFPVBQESA-N 264.329 -0.323 10 10 CBCE CS(=O)(=O)CS(=O)(=O)NCCCCN=[N+]=[N-] 231733635 YVAHBSCAHOWUQX-UHFFFAOYSA-N 270.336 -0.002 10 10 CBCE C[C@H]1CC(=O)NCCN1C(=O)c1cc(O)nc(O)c1 707345375 WOYLFPGRZUKZQS-ZETCQYMHSA-N 265.269 -0.157 10 10 CBCE CN(CCc1nn[nH]n1)C(=O)c1ccc(O)c(O)c1 707522225 FRGXRXJEIAUDIS-UHFFFAOYSA-N 263.257 -0.074 10 10 CBCE NC(=O)CN1CCN(C(=O)c2cc(O)cs2)CC1=O 854910959 IWKHFWUMUGHFNT-UHFFFAOYSA-N 283.309 -0.777 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)N1CCOCC1 1637498733 LWWYKGAIWXQKKV-UHFFFAOYSA-N 294.307 -0.385 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN(CCS(=O)(=O)CCC(N)=O)C1 1912157730 SQVCGCLKSQBWSK-VIFPVBQESA-N 289.361 -0.091 10 10 CBCE O=S1(=O)CC[C@H](CNCc2cccc(O)c2O)N1 2029509168 KVRXMHRRKCJAML-SECBINFHSA-N 272.326 -0.121 10 10 CBCE Oc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1O 2046514117 KWONPLFKSOADST-OAIFWDMCSA-N 255.270 -0.958 10 10 CBCE COc1cc(C(=O)N[C@H]2CNOC2)cc(OC)n1 2048065267 AFJNMSXPJAAZLR-QMMMGPOBSA-N 253.258 -0.268 10 10 CBCE C[C@H](C(N)=O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2068575168 BBHWKIWTTFSLGT-RXMQYKEDSA-N 254.242 -0.251 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CO)ccc21 2136339846 MXHQAZNGNXEFLP-YIYPIFLZSA-N 264.325 -0.465 10 10 CBCE COC[C@@H](ONC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144028305 PRWRPDSQXHJEPW-SNVBAGLBSA-N 285.252 -0.212 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](C(CO)CO)C1 2170673091 GUXKZKHHRJDDIK-QMMMGPOBSA-N 282.296 -0.444 10 10 CBCE C[C@H](c1c(O)cccc1O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)O 2200865264 ROMMCYBACBZUSO-ISZTYCHPSA-N 283.280 -0.351 10 10 CBCE O=C(O)C[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 166430337 NPMWXQGXISKBFR-YFKPBYRVSA-N 270.197 -0.850 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@@H](O)[C@@H](CO)C2)cc1 396814545 UMCIKSGRZVBLMH-ZWNOBZJWSA-N 279.340 -0.118 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CO[C@H]2CNC[C@H]12 1876501109 XGFZWIDQVMEILB-IEBDPFPHSA-N 262.313 -0.234 10 10 CBCE C[S@](=O)(=NC(=O)c1cc(O)nc(O)c1)C1CNC1 1924619368 GCOASIUQPFYBIR-GOSISDBHSA-N 271.298 -0.297 10 10 CBCE NC[C@H]1C[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2060807524 OXJJVSSIVZXBCJ-HTQZYQBOSA-N 253.258 -0.973 10 10 CBCE CN(CC(CO)CO)S(=O)(=O)Cc1ccc(N)cc1 2094031593 ZKYVQKXFISKMFI-UHFFFAOYSA-N 288.369 -0.369 10 10 CBCE Nc1ccc(OCC(=O)NCc2nc(=O)o[nH]2)cc1 2116168437 POJGQFGRRHSHLA-UHFFFAOYSA-N 264.241 -0.360 10 10 CBCE O=C(NC1(CO)CCNCC1)c1cc(O)nc(O)c1 2133751500 MWBGQJLKKGVNRS-UHFFFAOYSA-N 267.285 -0.663 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1F 2136344101 RQBSXUFDILGYOO-VDDIYKPWSA-N 274.267 -0.674 10 10 CBCE N[C@@H](CCCCNC(=O)c1cc(O)nc(O)c1)C(=O)O 2151562735 XMCDMKPRRMYYGK-QMMMGPOBSA-N 283.284 -0.195 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@H]3COC[C@H]32)cc1 2158393176 PWCMEHJFIFRKOD-XQQFMLRXSA-N 298.364 -0.210 10 10 CBCE NCCN1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2188918366 DIVLJHOOHUNOFI-UHFFFAOYSA-N 281.312 -0.480 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2(CO)CCNCC2)cc1 2191633816 IJUCNQVCTCBRRY-UHFFFAOYSA-N 299.396 -0.197 10 10 CBCE O=C1CCC2(CN1)CN(C(=O)c1cc(O)nc(O)c1)C2 2280257144 APODVTACCPSABO-UHFFFAOYSA-N 277.280 -0.155 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1OC 2289357753 KTXNVTXGQHAIDK-NURSFMCSSA-N 283.324 -0.146 10 10 CBCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 312702975 RULUVDXFNZTHFT-GWCFXTLKSA-N 276.296 -0.935 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN(CCO)CC1 586735278 FHPTXSSVNREOHG-UHFFFAOYSA-N 282.296 -0.447 10 10 CBCE O=C1C[C@H](c2cc(O)c(O)c(O)c2)[C@H](C(=O)O)C(=O)N1 1951736667 SASVCIRMTOPBNA-ANLVUFKYSA-N 281.220 -0.366 10 10 CBCE COC(=O)[C@@](C)(CS(C)(=O)=O)NCCN=[N+]=[N-] 2003944475 ARYVQNVAKVFLST-MRVPVSSYSA-N 264.307 -0.137 10 10 CBCE O=C(N[C@@H]1CCNC[C@@H]1F)c1cc(O)nc(O)c1 2029909669 RNHKIZYDOXAFSK-JGVFFNPUSA-N 255.249 -0.077 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CNCC[C@@H]1O 2071717928 OMUZSWBSHNJUCO-ZJUUUORDSA-N 250.302 -0.498 10 10 CBCE C[C@H](NC(=O)[C@@H](N)CC(N)=O)c1ccccc1O 2072481455 HNXYIVGZHWRZMM-CBAPKCEASA-N 251.286 -0.228 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2161353987 DKKQSCAKCAMBGY-GBIKHYSHSA-N 277.324 -0.169 10 10 CBCE CNCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)cc1 2166790209 DGNZNPYWFDFOFE-RYUDHWBXSA-N 274.324 -0.791 10 10 CBCE OCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2289357579 IWRDSGPLRCYRLX-QWRKXWFKSA-N 289.278 -0.393 10 10 CBCE C[C@H](NC(=O)[C@@H](N)CS(C)(=O)=O)c1ccccc1O 2335433199 OQEBLUKCADYZBV-WPRPVWTQSA-N 286.353 -0.059 10 10 CBCE NCc1ccc(N(CC(N)=O)CC(N)=O)cc1Cl 61846462 VLZMVGPZCDFYCB-UHFFFAOYSA-N 270.720 -0.424 10 10 CBCE COC[C@H](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 71272803 DNIVCZZYSXKSOS-ZJUUUORDSA-N 284.312 -0.909 10 10 CBCE COc1ccc(N2CCOC[C@@H]2C(N)=O)c(N)c1 129224466 VQJSYSBTBRSBLY-LLVKDONJSA-N 251.286 -0.032 10 10 CBCE CS(=O)(=O)CS(=O)(=O)NCc1cc(N)ccc1O 129941630 YAPPISOKLJJYGO-UHFFFAOYSA-N 294.354 -0.604 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 316614648 ZYFFIUQYFVPIGW-MFKMUULPSA-N 280.324 -0.151 10 10 CBCE O=C(NC[C@@H]1CCO[C@H]1C(=O)O)c1cc(O)nc(O)c1 715130414 WOUHTATUZAODME-QUBYGPBYSA-N 282.252 -0.288 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCc1nc(=O)o[nH]1 1626427855 UGHMNDVBZQTFEQ-UHFFFAOYSA-N 279.252 -0.325 10 10 CBCE O=C(NC1(C(=O)O)CC(O)C1)c1cccc(O)c1O 1879046459 UBLFNBKTKDWKIR-UHFFFAOYSA-N 267.237 -0.194 10 10 CBCE O=C1CN(Cc2ccc(F)cc2O)[C@H](C(=O)O)CN1 1964719136 IHOYWUPMKTZVFR-VIFPVBQESA-N 268.244 -0.084 10 10 CBCE Nc1ccc(OCC(=O)N2CC(O)(CO)C2)cc1 2051894636 MEQVJFYOWHOEJF-UHFFFAOYSA-N 252.270 -0.787 10 10 CBCE NCc1nc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 2063176453 DTYKJWJKJYXJPE-UHFFFAOYSA-N 250.218 -0.678 10 10 CBCE CN(CC(CO)CO)c1cc2c(cc1F)[C@H](O)C(=O)N2 2150413710 AGTDPFYWAJSNGG-LBPRGKRZSA-N 284.287 -0.152 10 10 CBCE N[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2157501591 DXZUNYPBXXBGIP-YIZRAAEISA-N 280.280 -0.443 10 10 CBCE Nc1ccc(OCCC(=O)N2CCNC[C@H]2CO)cc1 2191712302 ODBHGOJPGSGSJJ-LBPRGKRZSA-N 279.340 -0.170 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1NCCNC1=O 2192570185 OHHKZGWSPHWJPI-BXKDBHETSA-N 277.324 0.000 10 10 CBCE COc1cc(N2CCOC[C@H]2[C@@H](O)CO)ccc1CO 2204557161 MNUYXQZKJGNWSS-STQMWFEESA-N 283.324 -0.254 10 10 CBCE COc1ccc(N2CC(NS(C)(=O)=O)C2)c(CN)c1 2227681672 KCABTWFXDQFDGW-UHFFFAOYSA-N 285.369 -0.108 10 10 CBCE CN(CCN)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2227907050 QUPUIYAQZHGKII-UHFFFAOYSA-N 290.301 -0.152 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)C[C@@H](O)[C@@H]1O 2289358943 YBFXAEXHTRJWRB-BSLXNSKLSA-N 279.336 -0.184 10 10 CBCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1F 2333608740 IOZMGUNJIGSEAL-RWMBFGLXSA-N 270.304 -0.159 10 10 CBCE CC(CO)(CO)NC(=O)COc1ccc(N)cc1 125522442 BYGFIDKNRDVOSH-UHFFFAOYSA-N 254.286 -0.493 10 10 CBCE O=C(O)C[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 166356086 NPMWXQGXISKBFR-RXMQYKEDSA-N 270.197 -0.850 10 10 CBCE C[C@H](c1c(O)cccc1O)N1CCNC[C@@H]1C(N)=O 235168095 OOULKGQJYMAHRT-RKDXNWHRSA-N 265.313 -0.082 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 808529517 JQJNADSAMCNTPX-SECBINFHSA-N 293.341 -0.348 10 10 CBCE CS(=O)(=O)C[C@H](O)CNC(=O)c1cccc(O)c1O 1636478426 ZZQMEEJQVSDVPN-SSDOTTSWSA-N 289.309 -0.767 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2006134820 NZNLMIASGLNOLW-JIGDXULJSA-N 256.287 -0.202 10 10 CBCE OCC(CO)(CO)CNCc1c(O)cccc1F 2059279952 KVNCSTONEZMQEF-UHFFFAOYSA-N 259.277 -0.416 10 10 CBCE O=C(Nc1[nH]nnc1C(=O)O)c1cc(O)nc(O)c1 2117402002 ASOCVYMXHVFHJY-UHFFFAOYSA-N 265.185 -0.439 10 10 CBCE CN(C)c1ccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1 2177944830 OLTHETWLMSQHRT-NGFQHRJXSA-N 280.368 -0.055 10 10 CBCE O=C1Nc2cc(N3CCC[C@@H]3[C@@H](O)CO)ccc2[C@H]1O 2179743321 ONRHAWNOJGROBB-FRRDWIJNSA-N 278.308 -0.006 10 10 CBCE Nc1ccc(OCCCN2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2201037932 PTNLHECFUWACIB-HZSPNIEDSA-N 282.340 -0.564 10 10 CBCE C[C@@H](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459799 FKWKTIQFLAXRHJ-APPZFPTMSA-N 254.286 -0.535 10 10 CBCE C[C@H](CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 54335254 VPPOWZNPLOBSII-APPZFPTMSA-N 282.296 -0.196 10 10 CBCE NC(=O)[C@@H]1CN(c2ccc(CO)cc2Cl)C[C@H]1C(N)=O 693376865 ARJNMTZOPXMBGH-RKDXNWHRSA-N 297.742 -0.145 10 10 CBCE COC(=O)COCC(=O)NCc1ccc(O)cc1O 1451774026 ZZDVJWZKMNMZIE-UHFFFAOYSA-N 269.253 -0.096 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN1[C@@H]1CS(=O)(=O)C[C@H]1O 1908071007 TVCFFOGZKQBGBL-IWSPIJDZSA-N 260.319 -0.081 10 10 CBCE C[C@H](O)c1ccc(N2CC(O)(C(N)=O)C2)c(F)c1 1915236283 JZXPMLZOVUGLNJ-ZETCQYMHSA-N 254.261 -0.085 10 10 CBCE CN1C[C@@H](N)[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2029893331 KYVPTMXJWIPETM-RKDXNWHRSA-N 251.286 -0.531 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)C[C@H]2O)c(O)c1O 2046484035 PRHLSAXKXCPWRC-QXFUBDJGSA-N 255.270 -0.223 10 10 CBCE CO[C@@H]1CNC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2049782511 JSUHVLMBVVHXKX-NAKRPEOUSA-N 254.330 -0.124 10 10 CBCE Nc1ccc(NC(=O)NC[C@H]2CNC[C@@H]2O)cc1 2071564590 AKRUCPNVKOJWMJ-KCJUWKMLSA-N 250.302 -0.029 10 10 CBCE COc1ccc(N(C)C[C@@H]2NC[C@@H](O)[C@@H]2O)cc1 2081018319 NPVXAZYSCPRVCK-YNEHKIRRSA-N 252.314 -0.175 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2081037580 ZMMDXDJTTIVVDR-OQCKYNKVSA-N 252.314 -0.391 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nn1cnnc1 2089408007 LIUJZIVJNSAVDT-QMMMGPOBSA-N 263.257 -0.671 10 10 CBCE CCOC[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348112 FBIUCOAQPRBJEG-QMMMGPOBSA-N 271.269 -0.069 10 10 CBCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2136336488 MJSNEZJRAXDPSY-MQYQWHSLSA-N 266.341 -0.001 10 10 CBCE NC(=O)[C@H]1C[C@H](N)CN(C(=O)c2cccc(O)c2O)C1 2151040515 FKDVYSALDVFDRD-YUMQZZPRSA-N 279.296 -0.628 10 10 CBCE COC[C@](O)(CO)CNC(=O)Cc1ccc(O)c(O)c1 2158615486 HUMVROMIWTVYPP-CYBMUJFWSA-N 285.296 -0.874 10 10 CBCE C[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCC(=O)NC1=O 2172827165 GGWAUPUKAMCNQS-GFCCVEGCSA-N 279.252 -0.582 10 10 CBCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1nc(=O)o[nH]1 2188918074 BLFNPAQLYQKBHF-SCSAIBSYSA-N 281.224 -0.029 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](CO)[C@@H](N)C2)cc1 2191721245 VMDAFZMFDXDSIR-MFKMUULPSA-N 279.340 -0.184 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2260865030 LNVVQPMLRQEQOM-TVYUQYBPSA-N 253.298 -0.155 10 10 CBCE CCc1cccc(CNC(C(N)=O)C(N)=O)c1O 695316181 IHAFRQREJUPFBT-UHFFFAOYSA-N 251.286 -0.617 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1CS(=O)(=O)C[C@H]1O 895681463 PNAPWRXWMRNBAV-ZYHUDNBSSA-N 271.338 -0.052 10 10 CBCE O=C(Cn1c(O)nnc1O)NCc1c(O)cccc1F 1178412844 HYPNGKHBKYMKPW-UHFFFAOYSA-N 282.231 -0.150 10 10 CBCE COc1ccc(O)c(CNCC(O)(CO)CO)c1 1913798571 CXIOTUBKONJQSR-UHFFFAOYSA-N 257.286 -0.794 10 10 CBCE CN(C)Cc1cc([C@H](O)[C@H](N)C(=O)O)ccc1O 1952357651 WGAKLYHHGSNYSU-QWRGUYRKSA-N 254.286 -0.101 10 10 CBCE COCC1(NC(=O)c2cc(O)nc(O)c2)CCNCC1 2149835384 KYQNUUKWVNFAHT-UHFFFAOYSA-N 281.312 -0.009 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCC[C@H]2O 2201007130 RHEFVQWVIVDVGH-APIJFGDWSA-N 279.336 -0.041 10 10 CBCE CN(C)c1ccc(CNC(CO)(CO)CO)cc1 5823349 DBAPMWPQSYFCNF-UHFFFAOYSA-N 254.330 -0.442 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N(C)C(CO)CO)cc21 311856462 JMBBAWJJBVAURL-GFCCVEGCSA-N 265.313 -0.548 10 10 CBCE C[C@H](CNCc1ccc(O)c(O)c1)S(N)(=O)=O 398289352 OSSWTMASMIVQOY-SSDOTTSWSA-N 260.315 -0.136 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=N)nc2O)[C@@H](O)[C@H]1F 616586485 PCPGVUKMIADCCP-YYWONIAYSA-N 286.223 -0.705 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COCC[C@H]2O)cc1 710860348 XNQNTBPCGGJOJI-NWDGAFQWSA-N 266.297 -0.086 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1cccc(C)c1O 720536359 URMNRHVDNCEBCM-UHFFFAOYSA-N 279.340 -0.005 10 10 CBCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1(O)CNC1 1918731176 SYUUPHAGLNUGOQ-MRVPVSSYSA-N 266.297 -0.521 10 10 CBCE O=S1(=O)C[C@@H](c2c(O)cccc2O)NCCN1 1952451099 PCDDSCQQFZPJAT-ZETCQYMHSA-N 258.299 -0.339 10 10 CBCE N[C@@H]1C[C@H](O)CN(C(=O)c2cccc(O)c2O)C1 2049114933 WJGRHJZVEMXHPO-SFYZADRCSA-N 252.270 -0.368 10 10 CBCE COc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1O 2108833365 WCDDJTXEWABNFI-PSJXJDHFSA-N 269.297 -0.655 10 10 CBCE CN1CCNC[C@@H]1CNC(=O)COc1ccc(N)cc1 2191746437 WSKHLJKXZUQCGY-GFCCVEGCSA-N 278.356 -0.333 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1 2218664307 QDPQUCFLELCNTD-FRRDWIJNSA-N 252.314 -0.298 10 10 CBCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1O 2234099520 DSWOBARASCTWID-HERUPUMHSA-N 282.340 -0.294 10 10 CBCE C[C@H](O)CN(CCN)C(=O)c1ccc(O)c(O)c1 2257629221 VQIJKDIIAFTIMM-QMMMGPOBSA-N 254.286 -0.121 10 10 CBCE Oc1cc(F)ccc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2311962431 LDAGIQMYUBIIEX-GMNPVEAJSA-N 257.261 -0.524 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@@H](O)[C@H](O)[C@H]1C2 2355337398 CLMQLGHZQSYKNT-YLJFRXORSA-N 280.280 -0.551 10 10 CBCE CC(C)(NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(N)=O 40675476 XVHUAPUARFYPPS-QMMMGPOBSA-N 281.312 -0.652 10 10 CBCE NC(=O)[C@H]1CNCCN1Cc1ccc(O)cc1O 88659297 FOTDZMQMLOXBAV-SNVBAGLBSA-N 251.286 -0.643 10 10 CBCE [N-]=[N+]=NCCCNC1(C(N)=O)CCS(=O)(=O)CC1 90260643 LDEKMCIZWVJWCN-UHFFFAOYSA-N 275.334 -0.291 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1cccc(F)c1O 160233086 PRURSCSXILNKIE-UHFFFAOYSA-N 255.249 -0.696 10 10 CBCE CNCCOCCN(C)C(=O)c1cc(O)nc(O)c1 706696303 BZOQEZGPWXGPKK-UHFFFAOYSA-N 269.301 -0.199 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCOC[C@@H]2O)cc1 706754914 AKPBCFNYGUOXRV-NEPJUHHUSA-N 266.297 -0.086 10 10 CBCE Cc1ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)c(O)c1O 782038918 DTLCRVUVOIYVPJ-SSDOTTSWSA-N 288.325 -0.187 10 10 CBCE NC(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2106928427 TYAPREOZHTWOLM-SNVBAGLBSA-N 261.285 -0.505 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(O)c(O)c2)[C@@H](O)[C@H]1O 2121473581 IVOCSDQTCNHUEO-WTTBSCSTSA-N 269.297 -0.710 10 10 CBCE O=C(N[C@@H]1CO[C@H]2CNC[C@@H]12)c1cccc(O)c1O 2121654777 WCYGZRXJXJICSX-NGZCFLSTSA-N 264.281 -0.186 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)ccc1CO 2139700546 LBZVALVTGQOLMT-GVXVVHGQSA-N 269.297 -0.910 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(S(C)(=O)=O)C3)cc21 2152285112 OABKKSFANDQHNR-LBPRGKRZSA-N 295.364 -0.104 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@H]3COC[C@@H]32)cc1 2158393174 PWCMEHJFIFRKOD-AVGNSLFASA-N 298.364 -0.210 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(O)cc1O 2177946358 YGYMDXJBSWRBNE-VCLBQRBZSA-N 283.324 -0.149 10 10 CBCE N[C@@H]1CCc2cc(N3CC4(C3)OC[C@H](O)[C@H]4O)ccc21 2184730089 RFCAKMYYTBPQQM-HZSPNIEDSA-N 276.336 -0.057 10 10 CBCE CN(C)c1ncc2nc(C3=C[C@@H](O)[C@@H](N)C3)n(C)c2n1 2188019380 HCYIXUXJPKEBRU-WCBMZHEXSA-N 274.328 -0.095 10 10 CBCE N[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2188785976 CCGXGUOTOFJPSG-YUMQZZPRSA-N 281.268 -0.491 10 10 CBCE CN(C)C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868816 XJBHFSVXIOLNFT-ZETCQYMHSA-N 284.268 -0.452 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CNCCOC2)cc1 2191630305 YWRUECDYXJBVCD-LBPRGKRZSA-N 299.396 -0.076 10 10 CBCE C[C@H](N)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1O 2234099521 DSWOBARASCTWID-QCZZGDTMSA-N 282.340 -0.294 10 10 CBCE NCCCN(CCO)C(=O)Cc1ccc(N)cc1 2255076201 OTCNRSQCSTUKGG-UHFFFAOYSA-N 251.330 -0.019 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H]2CS(=O)(=O)[C@@H]2C1 2336461231 QKIYQFZFBYJPGP-OIBJUYFYSA-N 283.305 -0.033 10 10 CBCE NC[C@@H](CO)C(=O)N1CCc2cc(O)c(O)cc2C1 2341199496 UNYKZIVQLOIUGQ-JTQLQIEISA-N 266.297 -0.450 10 10 CBCE O=S(=O)(O)c1ccc(O)c(O)c1S(=O)(=O)O 5756699 CJAZCKUGLFWINJ-UHFFFAOYSA-N 270.240 -0.409 10 10 CBCE CC(=O)c1ccc(O)c(CN(CC(N)=O)CC(N)=O)c1 61808171 ADVFVORTTVKXLN-UHFFFAOYSA-N 279.296 -0.633 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1C(=O)c1cccc(O)c1O 126465130 UAFHOOANNQYFCZ-ZCFIWIBFSA-N 264.237 -0.415 10 10 CBCE COc1ccc(O)c([C@@H](C)NC[C@H](O)C(N)=O)c1 228628635 SORUAOZQSMXLMH-HQJQHLMTSA-N 254.286 -0.102 10 10 CBCE O=C1CN(C(=O)[C@@H]2CNc3ccccc3N2)CC(=O)N1 229882782 OOCQLVWANLXBTL-JTQLQIEISA-N 274.280 -0.622 10 10 CBCE CN1CC[C@](O)(CNC(=O)COc2ccc(N)cc2)C1 702588448 SPZMHFSBXGOWJF-AWEZNQCLSA-N 279.340 -0.170 10 10 CBCE CNCCOCCNC(=O)c1cc(O)nc(O)c1 705914183 TYXMDXQUKDKUIC-UHFFFAOYSA-N 255.274 -0.541 10 10 CBCE O=C1C[C@H](c2ccc(O)c(O)c2O)[C@H](C(=O)O)N1 1951958295 YCMDPQNKYADGBB-SVGQVSJJSA-N 253.210 -0.140 10 10 CBCE Oc1cc(Cl)ccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046513975 KBCHFBSUTTUXGF-KLHWPWHYSA-N 273.716 -0.010 10 10 CBCE COc1ccc(N2CC(N)(C(N)=O)C2)c([N+](=O)[O-])c1 2109487024 PMCGIAHKJJBXAP-UHFFFAOYSA-N 266.257 -0.394 10 10 CBCE O=C1Nc2cc(N3CC(O)(CO)C3)c(F)cc2[C@H]1O 2115307573 DNNWXMXPRFDLHU-SNVBAGLBSA-N 268.244 -0.645 10 10 CBCE N[C@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CO)ccc21 2136339844 MXHQAZNGNXEFLP-XDQVBPFNSA-N 264.325 -0.465 10 10 CBCE CN(C)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@@H]1O 2146150466 HCKZFLSLWOLUGF-FRRDWIJNSA-N 276.340 -0.250 10 10 CBCE C[C@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1O 2184133747 WSGKAWPWOBHGBE-CPCISQLKSA-N 279.296 -0.764 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@@H]2O 2184732171 QWCSENORUSHCRR-RYUDHWBXSA-N 275.308 -0.544 10 10 CBCE Cc1cc(N2CC[C@@](O)(CO)[C@@H](O)C2)ccc1CN 2225731374 ZNFWEJNCLVXNNG-UONOGXRCSA-N 266.341 -0.252 10 10 CBCE COc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(CN)c1 2235961115 AQKWMQAGDNZXGK-PHIMTYICSA-N 275.308 -0.137 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1c(O)cccc1F 2332870501 KFCAYPHKTAVOPL-GMTAPVOTSA-N 271.244 -0.478 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCNC(=O)CC3)ccc21 62101098 FFSYVSURLKTOHF-GFCCVEGCSA-N 260.297 -0.035 10 10 CBCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CC(=O)N2CCC[C@H]21 302341677 OKRUBFKKDLYGAF-KWQFWETISA-N 266.305 -0.105 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](O)[C@@H](CO)C1 316229551 UMGYQWSZHDOJLZ-BREBYQMCSA-N 279.340 -0.119 10 10 CBCE N[C@@H]1COCCN(C(=O)c2cccc(O)c2O)C1 399905444 CEXXBLVWJDSLDN-QMMMGPOBSA-N 252.270 -0.103 10 10 CBCE C[C@@H](C(=O)NCc1ccccc1O)N1CCNCC1=O 705708957 AMUJIQOAXCMXTH-JTQLQIEISA-N 277.324 -0.171 10 10 CBCE C[C@]1(CO)C[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1453749988 VAZFWWYPGKLTDM-QMTHXVAHSA-N 281.308 -0.016 10 10 CBCE CNC(=O)NCC(=O)NCc1c(O)cccc1O 1645363303 PYZIDABGTMEHIY-UHFFFAOYSA-N 253.258 -0.357 10 10 CBCE CN1C[C@@H](C(=O)O)N(Cc2ccc(N)cc2)CC1=O 1891832191 VMNAOPUDYDJQRA-NSHDSACASA-N 263.297 -0.004 10 10 CBCE CS(=O)(=O)N1CC(NCc2ccc(O)c(O)c2)C1 2028754356 FZJGPXVOBOLZNE-UHFFFAOYSA-N 272.326 -0.169 10 10 CBCE Nc1cc2c(cc1N1CC(O)(CO)C1)OCCO2 2051895957 ZBTWXZDLOZBZDF-UHFFFAOYSA-N 252.270 -0.417 10 10 CBCE COC[C@@H](CN)NC(=O)c1cc(OC)nc(OC)c1 2110623882 XFLAICRXJFNUDJ-SECBINFHSA-N 269.301 -0.198 10 10 CBCE NCCc1nc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 2126769656 LAQGNFHPHMFTBW-UHFFFAOYSA-N 264.245 -0.636 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2NCCO[C@@H]2C1 2153998810 WRJIMOGORDCWDB-GXFFZTMASA-N 278.308 -0.161 10 10 CBCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1O 2183627586 RTUQMYODJJJGDK-ZEGGKSINSA-N 280.324 -0.277 10 10 CBCE NCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(F)c1F 2234107408 QTGFKMUILRNPLW-MFKMUULPSA-N 288.294 -0.282 10 10 CBCE CO[C@@H]1[C@H](O)C[C@H]1NC(=O)c1cc(O)nc(O)c1 2258677071 RBOGFAKSRJWJIN-XSSZXYGBSA-N 254.242 -0.629 10 10 CBCE CS(=O)(=O)CS(=O)(=O)NCCCN=[N+]=[N-] 167613140 WXFPKOUFOPTSSB-UHFFFAOYSA-N 256.309 -0.392 10 10 CBCE NC(=O)CN(CC(=O)O)C(=O)c1ccc(O)c(O)c1 236232538 VWXKRSNCHILEAJ-UHFFFAOYSA-N 268.225 -0.890 10 10 CBCE O=C1NCC[C@@H]1NC(=O)[C@H]1CNc2ccccc2N1 693906187 FRSJZTSLJFXDOL-WDEREUQCSA-N 260.297 -0.103 10 10 CBCE N[C@H]1COCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 707038559 AMJSHMURVIGSQR-IUCAKERBSA-N 252.270 -0.056 10 10 CBCE CN(C)C[C@H](O)CNC(=O)c1ccc(O)c(O)c1 717413164 PUOMZAKDQQDRDT-SECBINFHSA-N 254.286 -0.250 10 10 CBCE COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nn[nH]n1 1644688704 DMRZLWSRULONNY-QMMMGPOBSA-N 293.283 -0.343 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCNC2)cc1 1876406772 SMFWKPHCPHJIGS-NSHDSACASA-N 285.369 -0.071 10 10 CBCE O=C(NC[C@@H]1CCNC1=O)c1cc(O)c(O)c(O)c1 1887190510 RBSNQQVCRFNZGB-LURJTMIESA-N 266.253 -0.331 10 10 CBCE N[C@@H](C(=O)NCc1ccccc1O)C1CS(=O)(=O)C1 1890696489 SUHFZGWZNDMUMM-LLVKDONJSA-N 284.337 -0.620 10 10 CBCE N[C@H]1COCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2031531732 DUMHQFZHBJYBIR-YUMQZZPRSA-N 253.258 -0.661 10 10 CBCE CN(C)[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1O 2089923932 RTESJPCCIVOWQQ-QWHCGFSZSA-N 263.341 -0.055 10 10 CBCE Nc1ccc(CC(=O)NC[C@H]2CCS(=O)(=O)N2)cc1 2089998554 LEMSPRFLXMHRRM-LLVKDONJSA-N 283.353 -0.381 10 10 CBCE O=C(NC[C@H]1C[C@@H](O)CCO1)c1cc(O)nc(O)c1 2097945768 MTRSCBLAIUTFSG-DTWKUNHWSA-N 268.269 -0.238 10 10 CBCE COc1cccc(O)c1CN[C@H]1CS(=O)(=O)C[C@@H]1O 2121385662 QSNZETJNWQWBFU-ONGXEEELSA-N 287.337 -0.352 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)C[C@H]1CO 2200829747 KXSBBPHRFVJQNE-IUCAKERBSA-N 283.280 -0.239 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@H](O)[C@H]1O 2289358949 YBFXAEXHTRJWRB-PUPMMZHASA-N 279.336 -0.184 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC([C@H](O)CO)C3)ccc21 2336781439 VKEWGWMAVXTQSR-NEPJUHHUSA-N 263.297 -0.572 10 10 CBCE COC(=O)C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 133525171 MXQRZXZOBIEONT-SECBINFHSA-N 296.279 -0.103 10 10 CBCE CO[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H]1O 396005719 PGPSRGXGAQADJM-VXGBXAGGSA-N 265.313 -0.101 10 10 CBCE C[C@@H](C(N)=O)N(C)C[C@H](O)COc1ccc(N)cc1 711091229 XFTFPTQXYJFXPL-ONGXEEELSA-N 267.329 -0.186 10 10 CBCE O=C(CN1CCOCC1=O)NCc1cc(O)ccc1O 1455352697 IWNWWKJNUYFFPI-UHFFFAOYSA-N 280.280 -0.427 10 10 CBCE COc1cc(C(=O)N[C@@H](CO)CNC(C)=O)cc(OC)n1 1738863544 SNPSSTLLRUXFCG-SNVBAGLBSA-N 297.311 -0.674 10 10 CBCE NCc1nc(=NC(=O)c2cc(O)nc(O)c2)s[nH]1 2067323131 UQTKXOVGQPANQW-UHFFFAOYSA-N 267.270 -0.523 10 10 CBCE CNS(=O)(=O)CCN(C)C(=O)c1ccc(O)c(O)c1 2094675120 DFYFGLPMCDZLOK-UHFFFAOYSA-N 288.325 -0.281 10 10 CBCE C[C@H](CS(N)(=O)=O)NC(=O)COc1ccc(N)cc1 2096643237 NRINKQXVYWJMPY-MRVPVSSYSA-N 287.341 -0.559 10 10 CBCE C[C@@H](O)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2125476066 JWBCEVVKCOHCFJ-HTRCEHHLSA-N 269.253 -0.410 10 10 CBCE COCC[C@@H]1CNCCN1C(=O)c1cc(O)nc(O)c1 2144576222 OVDXNGFPWUAPJL-SNVBAGLBSA-N 281.312 -0.057 10 10 CBCE CN(C)[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 2146163125 WWTVYRNFMDIIMC-OLZOCXBDSA-N 279.340 -0.219 10 10 CBCE COC1(C(N)=O)CN(c2cc3c(cc2N)OCCO3)C1 2161184540 AIYBZGRUMQORDU-UHFFFAOYSA-N 279.296 -0.270 10 10 CBCE CO[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1CNC1 2172372317 PLAZTNRYZIXFLC-ZDUSSCGKSA-N 280.324 -0.009 10 10 CBCE COC(=O)[C@@H](NC=O)[C@H](O)c1ccc2c(c1)CCN2C 2178350679 BVGXQWSYBVUICK-QWHCGFSZSA-N 278.308 0.000 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 2191793477 GHQJKRGGFANIBB-JGVFFNPUSA-N 278.312 -0.502 10 10 CBCE COC(=O)C1(O)CN(c2ccc(OC)cc2CO)C1 2227710118 BNQHKUADTMKPTC-UHFFFAOYSA-N 267.281 -0.088 10 10 CBCE O=C(c1cccc(O)c1O)N1CC(O)(CCO)C1 2258274833 FWYFSAOJPOXOHB-UHFFFAOYSA-N 253.254 -0.333 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]1[C@@H](O)CO 2270715286 ZNEITWBDYSHXQD-XCBNKYQSSA-N 269.253 -0.629 10 10 CBCE CN(C)CC1(O)CN(C(=O)Cc2ccc(N)cc2)C1 2343632934 PQWUGEGWTRIYQJ-UHFFFAOYSA-N 263.341 -0.054 10 10 CBCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC(N)=O 37801182 LPAHOBXGURJJNO-LBPRGKRZSA-N 278.356 -0.086 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC(=O)NC1CC1 40459890 UMCUVLLGBDCEMW-JTQLQIEISA-N 293.323 -0.638 10 10 CBCE C[C@H](C(=O)NC(N)=O)N1CCN(c2ccc(N)cc2)CC1 57470041 WVPJWSAUWYLSIA-SNVBAGLBSA-N 291.355 -0.026 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](O)[C@@H](CO)C2)cc1 317734219 WHRPTZZQSCPSSI-BXKDBHETSA-N 265.313 -0.508 10 10 CBCE CN(Cc1nc(=O)o[nH]1)C(=O)Cc1ccc(O)c(O)c1 1452381052 CZYAWGRJQRHQCO-UHFFFAOYSA-N 279.252 -0.025 10 10 CBCE NC(=O)[C@@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 1639986985 OCLFLAYAUNJOHT-YWNRKNDBSA-N 266.253 -0.927 10 10 CBCE CC1(C)CNC[C@@H](CNC(=O)c2cc(O)nc(O)c2)O1 1926467922 LORBSYSLHXCGDG-VIFPVBQESA-N 281.312 -0.010 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)cc1 2108824071 CQAKDAOECGKKMO-RCWTZXSCSA-N 267.285 -0.755 10 10 CBCE O=C1NC[C@H]2CC[C@H]1N2C(=O)c1cc(O)nc(O)c1 2115748846 OJYKRJKUVVYMOZ-HTQZYQBOSA-N 263.253 -0.404 10 10 CBCE Nc1ccc(OCc2cn(C[C@@H](O)CO)nn2)cc1 2122750528 BBTZBUYKGIETOB-LLVKDONJSA-N 264.285 -0.208 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1c(C)cccc1O 2160774834 TYGSKSUKEABICO-UHFFFAOYSA-N 279.340 -0.005 10 10 CBCE N[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1CO 2178907555 QYSKQCVMCXUWNL-QWRGUYRKSA-N 280.324 -0.192 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2NCCO[C@@H]2C1 2188923927 NNYXRRUMZCRNFM-GZMMTYOYSA-N 280.280 -0.384 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1cc(F)cc(F)c1O 2200843335 HUCQMMYHBORPQY-QXEWZRGKSA-N 289.234 -0.339 10 10 CBCE COc1cc(N2CCOC[C@@H]2[C@H](O)CO)ccc1CO 2204557158 MNUYXQZKJGNWSS-CHWSQXEVSA-N 283.324 -0.254 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2273692363 FQUQSHTZCADGKW-OJDJGZDQSA-N 266.341 -0.143 10 10 CBCE O=C(CNCCO)N1CCc2cc(O)c(O)cc2C1 2341201870 GLXIZIZMDRUELW-UHFFFAOYSA-N 266.297 -0.436 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2354482785 MNSNSXGWJODFCQ-XYJRDEOASA-N 298.364 -0.476 10 10 CBCE COc1ccc(O)c(CNCCS(N)(=O)=O)c1 36744855 UXURRQFAGUIUIQ-UHFFFAOYSA-N 260.315 -0.221 10 10 CBCE CN(C(=O)CN1CCN(CCO)CC1)c1ccc(N)cc1 36798213 FANYZTMABSCSDH-UHFFFAOYSA-N 292.383 -0.159 10 10 CBCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)c1cn[nH]n1 71215109 HJBJGHPWOSNSNJ-ZETCQYMHSA-N 292.251 -0.358 10 10 CBCE CN1C(=O)C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1=O 116072083 BKPRZKOIMYZYHW-JTQLQIEISA-N 297.336 -0.555 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@](O)(C(=O)O)C2)cc1 386886841 YWINUYNMSQGXKI-CYBMUJFWSA-N 264.281 -0.141 10 10 CBCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@@H]1COC[C@H]1O 709342802 FJPUDOJPZSGAEQ-GHMZBOCLSA-N 279.296 -0.204 10 10 CBCE O=C1C[C@@H](C(=O)NCc2c(O)cccc2F)NC(=O)N1 1178413648 VKKCGROQXJNAOW-QMMMGPOBSA-N 281.243 -0.254 10 10 CBCE CS(=O)(=O)C[C@@H](O)CNC(=O)c1cccc(O)c1O 1636478427 ZZQMEEJQVSDVPN-ZETCQYMHSA-N 289.309 -0.767 10 10 CBCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)S(N)(=O)=O 1636525883 NABGDCDRGMIGOD-ZETCQYMHSA-N 288.325 -0.567 10 10 CBCE CN(C[C@H](O)COc1ccc(N)cc1)[C@@H]1CCNC1=O 1916853531 LBDZXIJEZOSWRL-WCQYABFASA-N 279.340 -0.171 10 10 CBCE O=C1[C@H]2CS(=O)(=O)C[C@H]2C(=O)N1Cc1ccccc1O 1924753785 WZJHXNXZBJSAJM-AOOOYVTPSA-N 295.316 -0.078 10 10 CBCE COC[C@@](O)(CO)CNCc1cccc(O)c1O 2040783474 WBTQUXDXGSVYGK-LBPRGKRZSA-N 257.286 -0.443 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2124717724 QIDFOYKKJYWQCW-VHSXEESVSA-N 266.297 -0.439 10 10 CBCE C[C@@H]1CNC(=O)CN1S(=O)(=O)Cc1ccc(N)cc1 2124747216 KUAPEGQMYBGAOQ-SECBINFHSA-N 283.353 -0.081 10 10 CBCE O=C(N[C@H]1COCCC1=O)c1cc(O)c(O)c(O)c1 2132410986 RJBPRSNWHBMPRO-ZETCQYMHSA-N 267.237 -0.109 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1F 2136344095 RQBSXUFDILGYOO-AUTRQRHGSA-N 274.267 -0.674 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1 2144396355 XNUCOQUOVXGNFG-NSHDSACASA-N 297.380 -0.052 10 10 CBCE Cn1[nH]c(CN)nc1=NC(=O)Cc1ccc(O)c(O)c1 2183093265 ALASJSVZMBXITJ-UHFFFAOYSA-N 277.284 -0.712 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@]1(O)CCNC[C@H]1O 2197490822 SEJLBTQZDLHRRQ-OCCSQVGLSA-N 280.324 -0.564 10 10 CBCE CN1CCc2cc(N3CC[C@@](O)(CO)[C@@H](O)C3)ccc21 2235116375 VTAOIUMRUVIMOF-LSDHHAIUSA-N 278.352 -0.027 10 10 CBCE Oc1c(CN[C@H]2C[C@@H](O)[C@H](O)[C@@H]2O)ccc(F)c1F 2329643556 VYGMLASLACCNKV-MDSNHJATSA-N 275.251 -0.385 10 10 CBCE COc1cccc(O)c1CNCCS(=O)(=O)CCO 2335762905 ZJDXMMUSYOECHI-UHFFFAOYSA-N 289.353 -0.103 10 10 CBCE CNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1 35081198 XAIVMPKGZGMTIE-UHFFFAOYSA-N 250.302 -0.698 10 10 CBCE N[C@H](CO)C(=O)NCc1cc([N+](=O)[O-])ccc1O 83408362 BHPCADNGQPENBT-MRVPVSSYSA-N 255.230 -0.764 10 10 CBCE NC(=O)C[C@H](N)C(=O)NCc1cccc(F)c1O 83408537 WCZNZHKTMLTHMP-QMMMGPOBSA-N 255.249 -0.650 10 10 CBCE CN(C)C1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 382365221 XNWBKDVHBUSPBG-NSHDSACASA-N 279.340 -0.260 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)C[C@@H]2CO)cc1 704706302 NNLRTUHWESONCI-VXGBXAGGSA-N 250.298 -0.235 10 10 CBCE COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccc(N)cc1 707234616 HJOKCIXJNJBHBB-NWDGAFQWSA-N 278.308 -0.054 10 10 CBCE C[C@]1(CO)CNCCN1C(=O)c1ccc(O)c(O)c1 719181084 NVVHZFYUZDYYIZ-CYBMUJFWSA-N 266.297 -0.106 10 10 CBCE O=C(NCc1c(O)cccc1F)[C@@H]1CCS(=O)(=O)N1 928706882 YFZSYLUHYWQZCV-VIFPVBQESA-N 288.300 -0.161 10 10 CBCE Nc1ccc(CCC(=O)NC[C@@H]2CNC[C@H]2O)cc1 1876519845 QMIQKRBTQRIPIK-WCQYABFASA-N 263.341 -0.102 10 10 CBCE CCc1cccc(CNCC(O)(CO)CO)c1O 1913788864 CPGGSBDPEGXPSB-UHFFFAOYSA-N 255.314 -0.240 10 10 CBCE CC(=O)C(=O)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 1919245475 WDRLVWXMWBYTME-QPUJVOFHSA-N 273.285 -0.201 10 10 CBCE C[C@@H](CS(N)(=O)=O)NCc1ccc(O)cc1O 1947446450 PPEYOKMHFKAOOH-ZETCQYMHSA-N 260.315 -0.136 10 10 CBCE C[C@H]([C@@](C)(NCCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2051100017 UNQCEQMQNXPWDQ-VXNVDRBHSA-N 277.350 -0.047 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2ccc(O)cc2O)C1 2057716447 CQFGNAQLHIGUAH-ONGXEEELSA-N 273.310 -0.655 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNCC[C@@H]1O 2126890065 UAAGDERQWGWPHX-ZJUUUORDSA-N 266.297 -0.521 10 10 CBCE O=C(CN1CC[C@H](O)[C@H](O)C1)c1ccc(O)c(O)c1 2132117714 YGBHXPBPBRHGKI-GXFFZTMASA-N 267.281 -0.292 10 10 CBCE CN(C)C[C@@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2132418603 LSCDPNOFXUITFP-MRVPVSSYSA-N 269.301 -0.578 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@]1(CO)CCNC1 2133734901 XOVSPUUVZMOGBJ-ZDUSSCGKSA-N 266.297 -0.519 10 10 CBCE COC1(C(N)=O)CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2161184366 XSKKQAJXAOLXMA-UHFFFAOYSA-N 281.268 -0.222 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@H]1NC(=O)c1ccc(O)c(O)c1 2258690477 ZZHWLFNKQXLBPX-GGVZMXCHSA-N 253.254 -0.024 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1O 2289357695 KBIOXLUZDZUSDJ-WAYYCVMKSA-N 283.324 -0.404 10 10 CBCE N[C@H](c1ccc(O)c(O)c1)c1nnc([C@H](O)CO)o1 83494123 YHVHAXPOSZQMRA-RKDXNWHRSA-N 267.241 -0.445 10 10 CBCE Nc1ccc(NC(=O)CN2CCO[C@@H](CO)C2)cc1 167810062 XFGIRHSEUPMTCJ-GFCCVEGCSA-N 265.313 -0.100 10 10 CBCE NCC1(C(=O)N2C(=O)Cc3cc(N)ccc32)COC1 258841402 SXVMCCUEEONTRU-UHFFFAOYSA-N 261.281 -0.340 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)[C@@H](CO)C1 699485889 HGQIFUWMIPDAAU-MFKMUULPSA-N 276.340 -0.249 10 10 CBCE CS(=O)(=O)NCCC(=O)NCc1cc(O)ccc1O 1643879655 ZARMEOMTZZJETR-UHFFFAOYSA-N 288.325 -0.347 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCC3(CO)CO)ccc21 1879985903 CFFLYQAYLWLEQK-NSHDSACASA-N 263.297 -0.428 10 10 CBCE CO[C@@H]1CNCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 1912190168 ZWXYQUWCUUQVKZ-SCZZXKLOSA-N 256.310 -0.491 10 10 CBCE O=C(c1cc(O)nc(O)c1)N(CCCO)CCCO 1922164461 YXXBTXOOXYSDOJ-UHFFFAOYSA-N 270.285 -0.300 10 10 CBCE N[C@H]1C[C@@H](O)CN(C(=O)c2cccc(O)c2O)C1 2049114932 WJGRHJZVEMXHPO-JGVFFNPUSA-N 252.270 -0.368 10 10 CBCE NCCOCCNS(=O)(=O)Cc1ccc(N)cc1 2071663834 KLSIJPOHYDDABI-UHFFFAOYSA-N 273.358 -0.337 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2081008072 DYTSCFGDCUQNMI-SDDRHHMPSA-N 272.732 -0.299 10 10 CBCE CN1CCc2cc([C@H](N)[C@@H](O)c3nnn(C)n3)ccc21 2163139491 AZXXPHAGQIIBDN-NWDGAFQWSA-N 274.328 -0.064 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c([N+](=O)[O-])c1 2200878897 ZGYJLEWRJUJTBZ-SRVKXCTJSA-N 284.268 -0.494 10 10 CBCE NS(=O)(=O)CCN1CCc2cc(O)c(O)cc2C1 2318660389 PJJWYMORZQAVBH-UHFFFAOYSA-N 272.326 -0.256 10 10 CBCE O=C(N[C@H]1CCOC[C@H]1O)c1cccc(O)c1O 706743271 ACADLUMUPGZHFO-WCBMZHEXSA-N 253.254 -0.023 10 10 CBCE O=C(N[C@@H]1CCNC[C@H]1O)c1cccc(O)c1O 710369454 NEJAWHRRFNSJSS-PSASIEDQSA-N 252.270 -0.450 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(CN)cc1F 720544026 OTYUCPBJAHTTMG-UHFFFAOYSA-N 282.319 -0.417 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 803162203 BHRXAILGAPTHLI-CTGSTSKSSA-N 292.291 -0.440 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccccc2O)[C@@H](O)[C@@H]1O 2057791112 JPSWLGZFJBLODH-YRRQLQLVSA-N 253.298 -0.416 10 10 CBCE O=C(N[C@@H]1[C@@H]2CNC[C@@H]21)c1cc(O)c(O)c(O)c1 2068613863 AUDVTWUXVKAANF-LYIWLLOFSA-N 250.254 -0.249 10 10 CBCE N[C@@H]1CCO[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2091751196 JGEIDQCVPMKUPF-SKDRFNHKSA-N 266.297 -0.127 10 10 CBCE C[C@@H](NCCCNS(N)(=O)=O)c1c(O)cccc1O 2101324244 MLVSQXRDCFFCAM-MRVPVSSYSA-N 289.357 -0.068 10 10 CBCE O=C(N[C@@H]1CNCC[C@H]1CO)c1ccc(O)c(O)c1 2116269394 MXOPIFTWDFTBRZ-VHSXEESVSA-N 266.297 -0.202 10 10 CBCE COc1cccc(O)c1CN[C@H]1CS(=O)(=O)C[C@H]1O 2121385660 QSNZETJNWQWBFU-GXSJLCMTSA-N 287.337 -0.352 10 10 CBCE CC[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2136336493 MJSNEZJRAXDPSY-RFQIPJPRSA-N 266.341 -0.001 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@@H]3COC[C@H]32)cc1 2158407760 FNLMTCCWSXHFJM-UPJWGTAASA-N 277.324 -0.101 10 10 CBCE O[C@H]1[C@@H](NCc2ccc3c(c2)CCCO3)C[C@@H](O)[C@@H]1O 2165122603 MHYDCDZSXJOTTF-NEBZKDRISA-N 279.336 -0.044 10 10 CBCE COc1cc(C(=O)N[C@H](CO)CCCO)cc(OC)n1 2166946415 JCWPXZCUZHEWPP-JTQLQIEISA-N 284.312 -0.038 10 10 CBCE O=C(O)CN1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 2169328535 YJSFKKODXVZOGF-MRVPVSSYSA-N 280.280 -0.014 10 10 CBCE CC(C)(O)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868083 LRJUWHPZOQWCHY-SECBINFHSA-N 285.252 -0.243 10 10 CBCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2200989687 AFDPLEYLMASPPW-OBJOEFQTSA-N 280.324 -0.874 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332920058 LZCVVIWFPNHQEW-VGYUKGMSSA-N 270.304 -0.252 10 10 CBCE CN(c1ccc2c(c1)NC(=O)CO2)C(CO)CO 258651966 GQIYBNDEYKRDHT-UHFFFAOYSA-N 252.270 -0.193 10 10 CBCE CNC(=O)C[S@@](=O)C[C@@H](O)COc1ccc(N)cc1 722446120 XDMIXTGNMDSDRJ-OVWNDWIMSA-N 286.353 -0.497 10 10 CBCE O=C(NCc1cc(O)ccc1O)C1=NN2CCCN=C2N1 1176755623 REJBCTBXNSKWPJ-UHFFFAOYSA-N 289.295 -0.308 10 10 CBCE O=C(NCc1ccc(O)c(O)c1)[C@@]1(O)CCOC1 1294868549 BJIKMTUIQUYWED-GFCCVEGCSA-N 253.254 -0.135 10 10 CBCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCNC[C@@H]1OC 1912204068 IKKCTWOSRFQYGJ-WCBMZHEXSA-N 257.294 -0.194 10 10 CBCE O=C(C[C@@H]1CNC[C@H]1O)NCc1ccccc1O 2054021975 JUHCWFGDWAVISV-ZYHUDNBSSA-N 250.298 -0.021 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2COC[C@H]2O)cc1 2097835060 PQEGQBYVALJVPM-JOYOIKCWSA-N 266.297 -0.229 10 10 CBCE CC(C)(N)[C@H](O)C(=O)NCCc1ccc(O)c(O)c1 2120444108 XOMGWFLFLPFKJN-LLVKDONJSA-N 268.313 -0.145 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2136346273 YOEUVVBIOLFSTA-JFGNBEQYSA-N 274.267 -0.674 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](CO)C[C@@H]3CO)ccc21 2146081199 NUMUFFIDYRHSLZ-JQEORGNBSA-N 277.324 -0.182 10 10 CBCE O=C(N[C@H]1CCOC[C@H]1C(=O)O)c1cc(O)nc(O)c1 2176119522 CAOWSGAOBUCLAV-SFYZADRCSA-N 282.252 -0.288 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC=C[C@H]1CO 2176340681 CFZBZMOSKDXITA-QWRGUYRKSA-N 278.308 -0.273 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1CCCc1ccc(N)cc1 2184136522 NKZYHFGDLOIBDE-LBPRGKRZSA-N 276.340 -0.513 10 10 CBCE COC[C@@H](ONC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868324 PJEIEVPOSHSLJV-MRVPVSSYSA-N 287.224 -0.436 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)CC23CNC3)cc1 2191631788 QVDPSNISPVZLKR-GFCCVEGCSA-N 297.380 -0.493 10 10 CBCE O=C(N[C@H]1COC2(CCC2)[C@H]1O)c1cc(O)nc(O)c1 2206471580 OEPNIRCKPXYJKM-KWQFWETISA-N 280.280 -0.095 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]1[C@H](O)CO 2258325466 ICHUGJJJVUKGDW-HTQZYQBOSA-N 254.242 -0.940 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1O 2332921060 YFHIYZBRTYTAAR-SWMFJSFKSA-N 268.313 -0.685 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CO[C@@H]2CNC[C@@H]21 2355693942 SSFJUUXUGYLKFD-GBIKHYSHSA-N 278.308 -0.257 10 10 CBCE Nc1ccc(OCC(=O)N2CCS(=O)(=O)CC2)cc1 40304931 FVMVANAEOIYKQT-UHFFFAOYSA-N 284.337 -0.095 10 10 CBCE NCC[C@H](O)C(=O)NCCc1ccc(O)c(O)c1 83398216 GHQVWSDKWAZYAT-JTQLQIEISA-N 254.286 -0.534 10 10 CBCE NC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccc(N)cc2)C1 236273922 FIUWQWVSRIZIEK-ZYHUDNBSSA-N 279.340 -0.184 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)[C@H](CO)C1)OCCO2 316213352 SSDNYWURFVYVPF-GZMMTYOYSA-N 266.297 -0.171 10 10 CBCE CN(C)C[C@H](CO)NCc1ccc(O)c(O)c1O 716722378 SSHUHNAHZKZQAW-SECBINFHSA-N 256.302 -0.185 10 10 CBCE CCO[C@@H]1CNCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 1912199457 SLTLFACUJACGSA-KOLCDFICSA-N 270.337 -0.101 10 10 CBCE C[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1914424794 XTCIPQCQBPGKPN-MIMYLULJSA-N 280.324 -0.051 10 10 CBCE NC(=O)C1(NC(=O)c2ccc(O)c(O)c2)CCNCC1 1922630496 ONGBJFGSSDCFKY-UHFFFAOYSA-N 279.296 -0.565 10 10 CBCE NS(=O)(=O)NCCNCc1ccc(F)cc1O 2024904132 RVWNGJQEHNUBEO-UHFFFAOYSA-N 263.294 -0.586 10 10 CBCE CN1C[C@H](NC(=O)c2cccc(O)c2O)[C@H](N)C1 2029893829 OQEMYJXLEIQXCQ-BDAKNGLRSA-N 251.286 -0.531 10 10 CBCE NC(=S)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2031079398 QNCHPAURDRXKBI-UHFFFAOYSA-N 290.366 -0.154 10 10 CBCE CO[C@H]1C[C@H](CN)N(C(=O)c2cc(O)nc(O)c2)C1 2090743521 NTKFDYAKGGEWAK-BDAKNGLRSA-N 267.285 -0.319 10 10 CBCE COc1cc(C(=O)N[C@@H](CO)CN(C)C)cc(OC)n1 2166945745 HJBUWCHKHFAZHW-SNVBAGLBSA-N 283.328 -0.249 10 10 CBCE COC(=O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H](C)O 2188875712 SZOIUBUFBHCLLO-CDUCUWFYSA-N 285.252 -0.544 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H](CN)O1 2188923404 MDNINNJLTASMNT-VXNVDRBHSA-N 282.296 -0.008 10 10 CBCE C[C@@H](CNC(=O)c1cc(O)nc(O)c1)N1CCNCC1 2192454150 WRKWCHQVORFVKZ-VIFPVBQESA-N 280.328 -0.484 10 10 CBCE C[C@H](N)c1nnc(COc2nnc(=N)[nH]n2)s1 2213785199 JVEJHNCULSREPW-VKHMYHEASA-N 254.279 -0.871 10 10 CBCE O=[N+]([O-])c1cc(CO)ccc1N1CC([C@@H](O)CO)C1 2336883933 DTFRDUQLVBRKSA-LBPRGKRZSA-N 268.269 -0.124 10 10 CBCE Nc1ccc(OC[C@H](O)CN(CCO)CCO)cc1 40694727 NCYSPJVIYPOEQR-GFCCVEGCSA-N 270.329 -0.705 10 10 CBCE N[C@@H](C(=O)NCCCO)c1ccc(O)c(O)c1O 83414162 CFECFCZEGMKZJZ-MRVPVSSYSA-N 256.258 -0.698 10 10 CBCE CCN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](O)C3)ccc21 300189446 JBTZITKLKTVLAZ-UPJWGTAASA-N 277.324 -0.169 10 10 CBCE CN1CCN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1CO 687599017 CKYQIOQJUVMBIR-CYBMUJFWSA-N 278.356 -0.184 10 10 CBCE CN1CCN[C@@H](CNC(=O)c2cccc(O)c2O)C1 694870864 FZDJHXYTWYXTKL-VIFPVBQESA-N 265.313 -0.269 10 10 CBCE C[C@]1(CO)C[C@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2O 698203870 HAJYJLNMAYUQPU-MRCXROJRSA-N 278.308 -0.006 10 10 CBCE CS(=O)(=O)CC(=O)NCc1c(O)cccc1O 1156881337 ZCHNURUQIMCUPH-UHFFFAOYSA-N 259.283 -0.241 10 10 CBCE Cn1nnnc1CNC(=O)Cc1ccc(O)c(O)c1 1634610440 FWRDZBFQRROGNH-UHFFFAOYSA-N 263.257 -0.520 10 10 CBCE NC[C@@H]1COC[C@H]1NC(=O)COc1ccc(N)cc1 1876450453 BNGLEWNJWRCOJE-BXKDBHETSA-N 265.313 -0.263 10 10 CBCE [N-]=[N+]=NC[C@H]1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)C1 1912152708 XJFKLHGVEKKYDS-IWSPIJDZSA-N 260.319 -0.224 10 10 CBCE CC(=O)N1CCN(C(=O)CN(C)CCN=[N+]=[N-])CC1 1912185670 UAMMWSXCRMLWDR-UHFFFAOYSA-N 268.321 -0.081 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2COC[C@H]2CO)cc1 2029844312 MBZJLBORBCDXMJ-PWSUYJOCSA-N 250.298 -0.065 10 10 CBCE Nc1ccc(O)c(CN2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c1 2042550116 CKJUBMVWXYLHPY-RFUOJGKKSA-N 250.298 -0.100 10 10 CBCE OCC(CO)(CO)CNCc1ccc(O)cc1O 2059273669 CAWYVVNJJRGLAR-UHFFFAOYSA-N 257.286 -0.849 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COC[C@H]2CO)cc1 2090318533 PODRFORQCNKUIM-SKDRFNHKSA-N 266.297 -0.229 10 10 CBCE NC(=O)[C@H]1C[C@H](N)CN(Cc2ccc(O)cc2O)C1 2094663371 RVGGPHLPONTJQA-UWVGGRQHSA-N 265.313 -0.268 10 10 CBCE COC1(C(N)=O)CN(C(=O)c2ccc(O)c(O)c2)C1 2104902734 PGZMZNXBAYNNTI-UHFFFAOYSA-N 266.253 -0.576 10 10 CBCE Nc1cc2c(cc1N1CC(O)(CO)C1)CCC(=O)N2 2115305760 KUVUVIIHXJKCDW-UHFFFAOYSA-N 263.297 -0.303 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(C)c1 2136342680 OIDMQJDOLFCBFS-MELADBBJSA-N 266.341 -0.383 10 10 CBCE CCN[C@@H]1COCCN(C(=O)c2cc(O)nc(O)c2)C1 2152188915 JYVREIKQBFINAC-JTQLQIEISA-N 281.312 -0.057 10 10 CBCE O=C1C[C@@H](NC(=O)[C@@H]2CNc3ccccc3N2)C(=O)N1 2152387984 JMSNEBIPFMARFX-ZJUUUORDSA-N 274.280 -0.576 10 10 CBCE O=C(O)[C@H](F)C1(O)CN(C(=O)c2cccc(O)c2O)C1 2172299722 DDFVGASMVAYRRU-VIFPVBQESA-N 285.227 -0.293 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1Cc1ccc(N)cc1 2218660832 AOMXZHRWXUMIFH-JHJVBQTASA-N 252.314 -0.179 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2354478170 HUGHZEOLYAQBQH-WBRVRECLSA-N 279.292 -0.407 10 10 CBCE NC(=O)[C@H](c1ccc(O)c(O)c1)N1CCCNCC1 37943759 FORPPNBXMWNNSK-LBPRGKRZSA-N 265.313 -0.081 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)C[C@H]2CO)cc1 704706300 NNLRTUHWESONCI-NWDGAFQWSA-N 250.298 -0.235 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)C[C@@H]2CO)cc1 704737169 QGYDRXROHGCHGK-VXGBXAGGSA-N 286.353 -0.474 10 10 CBCE CN1C[C@@H](C(=O)N(C)Cc2ccccc2O)NCC1=O 1357194475 RKBBXLLPOHVVKR-NSHDSACASA-N 277.324 -0.219 10 10 CBCE CC[C@@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857879034 SBXSKLFVTVJEQC-SECBINFHSA-N 290.283 -0.163 10 10 CBCE COC(CNC(=O)CCN1C(=O)CSC1=S)OC 1865764952 JBFZUGOXKLSXCB-UHFFFAOYSA-N 292.382 -0.028 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOC[C@@H]1O 1963565836 PRUCZLDNEJOVGK-SKDRFNHKSA-N 267.281 -0.094 10 10 CBCE Oc1ccc(F)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2046512992 ASHBYYKTSOJDEB-NUGNTBJXSA-N 257.261 -0.524 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Cl)c1 2081010355 VJIOTECPNMTINN-SDDRHHMPSA-N 272.732 -0.299 10 10 CBCE Nc1ccc(CCC(=O)N[C@@H]2CC(=O)NC2=O)cc1 2096081114 YFAINFLFCCSZGW-SNVBAGLBSA-N 261.281 -0.267 10 10 CBCE C[C@@H]1CNC(=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 2124755227 BGSLFWSZQVVHQW-JMCQJSRRSA-N 260.297 -0.037 10 10 CBCE NCCc1nc(NC(=O)c2cccc(O)c2O)n[nH]1 2126768789 YSEGFQWQJMHOFA-UHFFFAOYSA-N 263.257 -0.031 10 10 CBCE NC(=O)[C@@H]1CCN1S(=O)(=O)CCOc1ccc(N)cc1 2145612310 FFERAFVBAKJRHK-NSHDSACASA-N 299.352 -0.463 10 10 CBCE COC[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCCNC1 2157562519 KTKOGEFTWXRLPJ-CYBMUJFWSA-N 281.312 -0.009 10 10 CBCE COCC(O)(CNCc1ccc(O)c(O)c1O)COC 2175894788 MNAOFQRWGONBSG-UHFFFAOYSA-N 287.312 -0.083 10 10 CBCE NC(=O)C1[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4O)C[C@@H]12 2201278113 LCHUXARBMAYIGK-KBVBSXBZSA-N 273.292 -0.160 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(=O)O 2225793073 SIWZMPAIMIUAQS-BQBZGAKWSA-N 290.301 -0.500 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Cl 2273789619 FNDVHNJTELNRQD-XDTLVQLUSA-N 287.743 -0.017 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](O)C3)c(Cl)cc21 2328968065 FHMDJQSURHSFJQ-GMTAPVOTSA-N 283.715 -0.166 10 10 CBCE COc1ccc([C@@H](N)C(=O)NC[C@H](C)O)c(O)c1 83398365 NENBPXZEEZTRGX-WRWORJQWSA-N 254.286 -0.102 10 10 CBCE COc1ccc(O)c(CNC(=O)[C@@H](N)CC(N)=O)c1 83494617 PFYGRMPMSYSZME-VIFPVBQESA-N 267.285 -0.780 10 10 CBCE C[C@@H](O)CNC(=O)[C@H](N)c1cc([N+](=O)[O-])ccc1O 83512708 LPSAJYSWYAKMGG-LHLIQPBNSA-N 269.257 -0.203 10 10 CBCE O=C1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CN1 270543467 LGUDBIBLYVFGHQ-VIFPVBQESA-N 264.281 -0.107 10 10 CBCE NC(=O)[C@]1(O)CCN(CC(=O)Nc2ccc(N)cc2)C1 383766589 INAUXTDCVONXJR-ZDUSSCGKSA-N 278.312 -0.871 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCn2c(O)nnc2C1 1639177296 AEVCQWGSIIPBSG-UHFFFAOYSA-N 290.279 -0.020 10 10 CBCE CO[C@@H]1CNC[C@H]1NC(=O)COc1ccc(N)cc1 1876491869 RYTCXQPCPJRZML-VXGBXAGGSA-N 265.313 -0.249 10 10 CBCE [N-]=[N+]=NCCCCN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1912165032 FFYKXNFQHRLJDG-OCAPTIKFSA-N 254.294 -0.405 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1912170847 CMONEAUVWQPCLJ-RITPCOANSA-N 252.234 -0.504 10 10 CBCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=N)NO 2068616444 AOHCGAQOJVQKDR-BYPYZUCNSA-N 255.230 -0.122 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2CC(N)C2)cc1 2071568227 JIQJZEDUOSOZOC-UHFFFAOYSA-N 271.342 -0.380 10 10 CBCE O=C(NCCn1ncnn1)c1cc(O)c(O)c(O)c1 2132348341 JNZXDNHVDZTWNA-UHFFFAOYSA-N 265.229 -0.780 10 10 CBCE CO[C@H](CCO)CNC(=O)c1cc(O)c(O)c(O)c1 2132348507 NAERCPFBNIOYLD-MRVPVSSYSA-N 271.269 -0.069 10 10 CBCE O=C(O)[C@@H]1C[C@H](O)CCN1C(=O)c1cc(O)nc(O)c1 2177448185 RLHWQQNVNWTXHH-SFYZADRCSA-N 282.252 -0.457 10 10 CBCE Cn1cnnc1CCNC(=O)c1cc(O)c(O)c(O)c1 2188876147 XZBVUGLTYHVREU-UHFFFAOYSA-N 278.268 -0.096 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCOC[C@H]2CO)cc1 167923974 BGQATBQLWNCRDD-GFCCVEGCSA-N 286.353 -0.208 10 10 CBCE CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)C(C)=O 808515068 IYUTVVUAHMGIJF-QMMMGPOBSA-N 273.310 -0.001 10 10 CBCE CON(C)C(=O)CNC(=O)c1ccc(O)c(O)c1 2054398705 CEOACZXWXVQRIN-UHFFFAOYSA-N 254.242 -0.153 10 10 CBCE NC(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2106928426 TYAPREOZHTWOLM-JTQLQIEISA-N 261.285 -0.505 10 10 CBCE N[C@@H]1CC(C(=O)N2CCOc3ncccc32)=C[C@H]1O 2131477554 VZPAIFUMMLXDAJ-MWLCHTKSSA-N 261.281 -0.175 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(NC(N)=O)C1 2163217726 VLCMPMUUPGLONM-QMMMGPOBSA-N 277.328 -0.052 10 10 CBCE CN1CCc2cc(CN[C@H]3CS(=O)(=O)C[C@@H]3O)ccc21 2177840393 VYWBAIHDABLYJM-JSGCOSHPSA-N 296.392 -0.074 10 10 CBCE O=C(NC1CC(O)(C(=O)O)C1)c1cc(O)c(O)c(O)c1 2188868915 YXMYKTXYCTXORE-UHFFFAOYSA-N 283.236 -0.489 10 10 CBCE O=C(NC[C@]1(O)CCCNC1)c1cc(O)c(O)c(O)c1 2188924673 QENXVSQTYOFFKP-ZDUSSCGKSA-N 282.296 -0.352 10 10 CBCE CN1CCN[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188926121 XKADWRCZXUBAOE-SECBINFHSA-N 281.312 -0.563 10 10 CBCE COc1cc(N)c(N2CCNC[C@H]2C(N)=O)cc1OC 2191560369 RRLOSKRUSDVVTJ-JTQLQIEISA-N 280.328 -0.451 10 10 CBCE COc1cc(OC)c(N2CC(O)(C(N)=O)C2)cc1OC 2289339759 HPNCSIUQNDZXBS-UHFFFAOYSA-N 282.296 -0.251 10 10 CBCE CCN(CCN=[N+]=[N-])CC(=O)N[C@H]1CCS(=O)(=O)C1 2337775855 GUXPEWXYCGINBT-VIFPVBQESA-N 289.361 -0.078 10 10 CBCE C[C@@H](O)[C@H](NC(=O)Cc1ccc(N)cc1)C(N)=O 108261207 FMTUIYMJHZNQGU-HQJQHLMTSA-N 251.286 -0.838 10 10 CBCE NC/C=C\C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 312980869 QSXXNUNMCLXHKG-JKERVTFKSA-N 280.280 -0.275 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](CO)[C@@H](O)C1)CCC(=O)N2 316125028 LWLQFIYKEOEPHB-ZANVPECISA-N 277.324 -0.057 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COC[C@H]2O)cc1 323847695 OVZGLLUWIUAUJG-WDEREUQCSA-N 252.270 -0.477 10 10 CBCE Nc1ccc(O)c(CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1 386941955 HNAOEHQBDMRTKU-AOOOYVTPSA-N 261.281 -0.321 10 10 CBCE NC(=O)[C@@H]1CN(c2ccc(CO)cc2Cl)C[C@@H]1C(N)=O 693376856 ARJNMTZOPXMBGH-DTORHVGOSA-N 297.742 -0.145 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(F)c(F)c2O)C1 895676232 MJQKMYJZWZCTTQ-RKDXNWHRSA-N 293.291 -0.082 10 10 CBCE C[C@@H]1C(=O)N(NC(=O)Cc2ccc(O)c(O)c2)C(=O)N1C 1641850048 YIAJUCXUVDWHIT-SSDOTTSWSA-N 293.279 -0.046 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2ccccc2O)C[C@@H]1O 1890596844 LONVNKPDMXVAAZ-WCQYABFASA-N 267.281 -0.226 10 10 CBCE OCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2063745776 HBCAVMQVDZIPLH-NEPJUHHUSA-N 251.282 -0.510 10 10 CBCE CN(Cc1ccccc1O)[C@H]1CS(=O)(=O)C[C@@H]1N 2072462479 RIWIBPDLCWUFKM-QWRGUYRKSA-N 270.354 -0.052 10 10 CBCE COC1(OC)CN(C(=O)c2cc(O)nc(O)c2)C1 2074602452 BVSXEXTXYJMCCR-UHFFFAOYSA-N 254.242 -0.062 10 10 CBCE C[C@@H](COCC(=O)O)NC(=O)c1cc(O)nc(O)c1 2117493133 WZBCLYGOJBAGIL-LURJTMIESA-N 270.241 -0.288 10 10 CBCE O=C(N[C@@H](CCO)C(=O)O)c1cc(O)c(O)c(O)c1 2132348892 VCLLRNNYKMRGSG-LURJTMIESA-N 271.225 -0.631 10 10 CBCE N[C@H]1COCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132417086 BEXWCFDARSFABR-YUMQZZPRSA-N 268.269 -0.351 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@@H](O)[C@@H](O)C3)cc21 2188674887 AISIGCUNWQVWLZ-FRRDWIJNSA-N 278.308 -0.372 10 10 CBCE Nc1ccc(OCC(=O)NCCN2CCNCC2)cc1 2191667993 OTLGUBZMNQAUES-UHFFFAOYSA-N 278.356 -0.331 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CCC3(CO)CO)ccc21 2194350805 AKNWVGJBDALKFD-GFCCVEGCSA-N 277.324 -0.167 10 10 CBCE C[C@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1=O 2260431944 VLDZGQBFUOXABX-NSHDSACASA-N 251.242 -0.499 10 10 CBCE Cc1ccc(O)c(CNC(=O)[C@@H](N)CC(N)=O)c1 83384669 WWNJVDCIJFHPHK-VIFPVBQESA-N 251.286 -0.480 10 10 CBCE Cc1cccc([C@@H](N)C(=O)NC[C@H](O)CO)c1O 83398387 NSECWHWBOJZHSY-WCBMZHEXSA-N 254.286 -0.830 10 10 CBCE C[C@H]1C(=O)NCCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131391090 INZBVWSUIQGFBS-QPUJVOFHSA-N 274.324 -0.013 10 10 CBCE [N-]=[N+]=NC[C@H]1CCN(CCS(=O)(=O)CCC(N)=O)C1 1912157727 SQVCGCLKSQBWSK-SECBINFHSA-N 289.361 -0.091 10 10 CBCE COc1ccc(N2CC(N)(C(N)=O)C2)cc1OC 2047094311 VRCRCDBTFSLEJV-UHFFFAOYSA-N 251.286 -0.293 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCOCCN1 2068622565 YJDFIGAWSNWTIH-UHFFFAOYSA-N 254.242 -0.220 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(N)c1 2081010245 UNXRSNAMZIXFQQ-SRVKXCTJSA-N 254.286 -0.820 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)cc1 2108795033 UPYJWBWWVYITGA-TUAOUCFPSA-N 286.353 -0.428 10 10 CBCE COc1ccc(N2CCN(CCO)C(=O)C2)c(N)c1 2114633455 JILJLGKFEQHINE-UHFFFAOYSA-N 265.313 -0.082 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(N)c1 2127271171 ZZMJQKKSLVDWKE-VXGBXAGGSA-N 266.297 -0.412 10 10 CBCE CN1C[C@](NCCN=[N+]=[N-])(C(N)=O)CC12CCOCC2 2156883036 OSQPJJLPZHBFIY-LBPRGKRZSA-N 282.348 -0.005 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@@H]2O 2182528602 DKIHCIDWLUCJOD-IWXIMVSXSA-N 279.292 -0.089 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1nnn(C)n1 2197858446 SAFPITLICHFOJD-UHFFFAOYSA-N 277.284 -0.064 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1 2205613036 OQGVGKCJZONNPD-GVXVVHGQSA-N 284.287 -0.450 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(CO)c1 2236002653 NSANBIIURPIYCN-CHWSQXEVSA-N 281.308 -0.502 10 10 CBCE NC(=O)[C@@H](N)CN1CCc2cc(O)c(O)cc2C1 2318664053 TUQVAIRNPAVOHD-VIFPVBQESA-N 251.286 -0.732 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H](O)C[C@@H]3CO)cc21 698112728 FAAICDGBSAHRKS-GIPNMCIBSA-N 277.324 -0.405 10 10 CBCE C[C@H](N)c1ccc(N(CC(N)=O)CC(N)=O)cc1O 723167396 PHQORFVJHDMUAS-ZETCQYMHSA-N 266.301 -0.811 10 10 CBCE COC(=O)[C@](C)(CO)NC(=O)c1cccc(O)c1O 1637733877 DLYGPMBROSEOJM-LBPRGKRZSA-N 269.253 -0.248 10 10 CBCE Cc1ccc(O)c(CNCC(=O)Nc2nn[nH]n2)c1 1857858214 YLFAAWGKTHUGNE-UHFFFAOYSA-N 262.273 -0.058 10 10 CBCE CN(C[C@@H](O)CN)c1cc2c(cc1N)OCC(=O)N2 1876302863 PMDJGCUUEDUUSG-ZETCQYMHSA-N 266.301 -0.645 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)C1 1912158431 XJFKLHGVEKKYDS-YIZRAAEISA-N 260.319 -0.224 10 10 CBCE Nc1cc2c(cc1N(CCO)C1COC1)NC(=O)CO2 1915528489 ZKYIKWKMYPRTLN-UHFFFAOYSA-N 279.296 -0.203 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@@H]2COC[C@H]12 2102138773 XIZANYVZEWCEFJ-IWSPIJDZSA-N 265.269 -0.709 10 10 CBCE C[C@H](O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2125476069 JWBCEVVKCOHCFJ-XPUUQOCRSA-N 269.253 -0.410 10 10 CBCE Cn1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)c(=O)n(C)c1=O 2160958512 SRBBLPFBHQZMOC-SSDOTTSWSA-N 278.272 -0.391 10 10 CBCE Cc1nn(C)c(=O)n(CCOc2ccc(N)cc2)c1=O 2175189717 NRICIBAMIQTSGC-UHFFFAOYSA-N 276.296 -0.088 10 10 CBCE CN(Cc1nnnn1C)C(=O)c1cc(O)c(O)c(O)c1 2188875772 ULTXVHJTGZXFPY-UHFFFAOYSA-N 279.256 -0.401 10 10 CBCE N=c1ncn(CC(=O)NCCOc2ccc(N)cc2)[nH]1 2191760112 GRWNZTASUGLUHI-UHFFFAOYSA-N 276.300 -0.532 10 10 CBCE C[C@@H](N)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2201035415 JJDJHRMPZOQAMB-AEIQMDAISA-N 288.294 -0.113 10 10 CBCE N[C@@H]1CCCc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CO)ccc21 2201037663 PKRNUKHREHBIMY-QPSCCSFWSA-N 278.352 -0.075 10 10 CBCE C[C@]1(O)CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1O 2201529705 UURFIRWLJJWMIP-GWCFXTLKSA-N 283.280 -0.239 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1OC 2235126140 DFWXGKKZSFMJRQ-UONOGXRCSA-N 283.324 -0.002 10 10 CBCE O=C(NC[C@]12CNC[C@H]1CCO2)c1cc(O)nc(O)c1 2237809651 BTWLHXQVWJPFJZ-NOZJJQNGSA-N 279.296 -0.399 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1[C@@H](C)N 2334468637 DSYTVCNMNLXCNF-PCDDKUFXSA-N 266.341 -0.083 10 10 CBCE Cc1cccc(CNC(=O)[C@H](N)CC(N)=O)c1O 83384666 XEWIOFIATOXKII-SECBINFHSA-N 251.286 -0.480 10 10 CBCE N[C@H](c1nnc([C@H](O)CO)o1)c1cc(F)ccc1O 83512407 IQWVQFWKOKRRQQ-BDAKNGLRSA-N 269.232 -0.012 10 10 CBCE N[C@@H](C(=O)NCCCO)c1cc([N+](=O)[O-])ccc1O 83512715 NLXCJZPSFXDBFW-SNVBAGLBSA-N 269.257 -0.201 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)Cc1ccc(N)cc1 227201840 VJXIYPSLUVDHHD-JTQLQIEISA-N 252.270 -0.539 10 10 CBCE CCOC[C@@H](O)CNC(=O)c1cc(O)nc(O)c1 311013034 KFIDIKBYNMFXJL-QMMMGPOBSA-N 256.258 -0.380 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@H]3COC[C@@H]3O)cc21 709222978 MSKYOAHXDGQYBX-RWMBFGLXSA-N 277.324 -0.141 10 10 CBCE CC(=O)C(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C 808519081 WULJWKHCWLUJSV-UHFFFAOYSA-N 270.241 -0.982 10 10 CBCE Nc1cccc(F)c1N[C@@H]1CS(=O)(=O)C[C@H]1O 1907816634 LNQJKOUESIRIPB-RKDXNWHRSA-N 260.290 -0.022 10 10 CBCE CC(=O)N1CCN(C(=O)CN2CC(N=[N+]=[N-])C2)CC1 1912182924 IOZRJWXDFLJJFL-UHFFFAOYSA-N 266.305 -0.328 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)cc1 2046487489 CVHFNANCZRYDNO-TUAOUCFPSA-N 250.298 -0.188 10 10 CBCE [N-]=[N+]=NCCCCN1C[C@@H]2NC(=O)C(=O)N[C@H]2C1 2047956670 QTAYKIWGNFIYBR-YUMQZZPRSA-N 252.278 -0.624 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CC(CO)(CO)C[C@H]2O)C1 2085480853 RNLCSOLYCURTHN-OPRDCNLKSA-N 256.306 -0.135 10 10 CBCE N[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1CO 2122380023 YPKQAHFBEGLTPN-ZJUUUORDSA-N 266.297 -0.121 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(C)c1 2136342677 OIDMQJDOLFCBFS-IHRRRGAJSA-N 266.341 -0.383 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(CO)c1 2236002654 NSANBIIURPIYCN-OLZOCXBDSA-N 281.308 -0.502 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2OC[C@@H](CO)[C@H]2C1 2355692024 UWJAXMRCHSIZKD-OPRDCNLKSA-N 280.280 -0.428 10 10 CBCE C[C@@H](O)CN(CCO)S(=O)(=O)Cc1ccc(N)cc1 311922642 USURKFAMFZYQBV-SNVBAGLBSA-N 288.369 -0.226 10 10 CBCE C[C@H](NC(=O)Cn1nnc(N)n1)c1ccccc1O 1557969152 QKTTWXFRVDCKTF-ZETCQYMHSA-N 262.273 -0.162 10 10 CBCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1c(O)cccc1O 1647268719 BGVPJIPJNMYWAH-ZETCQYMHSA-N 279.252 -0.688 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(CO)(CO)C1 1914991239 IWOAPYROSXZHNV-JTQLQIEISA-N 279.340 -0.118 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1CO 1963565088 AADOUTRRMUWPDC-JTQLQIEISA-N 267.281 -0.140 10 10 CBCE Oc1ccc(F)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046512994 ASHBYYKTSOJDEB-SASUGWTJSA-N 257.261 -0.524 10 10 CBCE C[C@H](c1cc(O)ccc1O)N1CC(N)(C(N)=O)C1 2047099749 YVJHTWSZTJKOOQ-SSDOTTSWSA-N 251.286 -0.343 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(O)c(O)c2)C1 2057721755 WCRNLCQGUXLLSF-LDYMZIIASA-N 273.310 -0.655 10 10 CBCE N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@H]2COC[C@H]12 2102180154 HIXNTGFCDKXFLJ-BBBLOLIVSA-N 264.281 -0.104 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCNC1=O 2136057383 GJXATDCBONOQOT-VIFPVBQESA-N 264.281 -0.107 10 10 CBCE O=C(NC[C@@H]1C[C@@H]2OCC[C@@H]2N1)c1cc(O)nc(O)c1 2146638452 MELSBQCZUPPDBA-GUBZILKMSA-N 279.296 -0.258 10 10 CBCE O[C@H]1CCc2cc(N3CC4(C3)OC[C@H](O)[C@H]4O)ccc21 2184732059 PSEGFHVYDUSQHU-MELADBBJSA-N 277.320 -0.023 10 10 CBCE O=C(N[C@@H]1CNCC[C@H]1CO)c1cc(O)c(O)c(O)c1 2188920851 YWLUHAQAOFSSBA-IONNQARKSA-N 282.296 -0.496 10 10 CBCE COCC[C@@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2225570055 WVMJXKLTCDJHTL-MRVPVSSYSA-N 270.285 -0.103 10 10 CBCE N=c1nnc(OC[C@]23C[C@](C(F)F)(CO2)C3)n[nH]1 2254978659 SQPFIHDUVBVVOZ-KYZUINATSA-N 259.216 -0.128 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2289411022 LIIJTHUEAFGHFF-SNPRPXQTSA-N 280.368 -0.153 10 10 CBCE O=C1Nc2cc(N3CC([C@@H](O)CO)C3)ccc2[C@H]1O 2336878165 YUMHBTCSHMESQD-NWDGAFQWSA-N 264.281 -0.539 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2CC(CO)C2)cc1 227220693 ICMMUXZBBMFGHP-UHFFFAOYSA-N 286.353 -0.099 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1cccc(O)c1O 253098413 SZARJJFFQQZXNC-ZPRHFPMVSA-N 264.281 -0.058 10 10 CBCE COC(=O)[C@H](O)COC(=O)COc1ccc(N)cc1 311482781 RRVRXWWLVYRXAM-SNVBAGLBSA-N 269.253 -0.275 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 316314167 BJNJRMPYIAVSNQ-ZYHUDNBSSA-N 286.353 -0.616 10 10 CBCE C[C@H]1C(=O)NCCN1C(=O)c1cc(O)c(O)c(O)c1 1148584326 SCWJZUHVBROKND-LURJTMIESA-N 266.253 -0.236 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCOC[C@@H](N)C2)cc1 1876533332 OCCVTKAYADLUJT-LBPRGKRZSA-N 285.369 -0.242 10 10 CBCE COC[C@@](O)(CO)CNCc1cccc(F)c1O 1966067927 QVPMOHUQZPXCDG-LBPRGKRZSA-N 259.277 -0.009 10 10 CBCE O=C(NC1(C(=O)O)COC1)c1cc(O)nc(O)c1 2035955913 NKCNQQGJTLBZFP-UHFFFAOYSA-N 254.198 -0.924 10 10 CBCE C[C@@H]1CNC(=O)C[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 2042117672 IAPRJOQCBATERV-OIBJUYFYSA-N 254.294 -0.344 10 10 CBCE O=C1Nc2cc(N3CC(O)(CO)C3)ccc2[C@@H]1O 2051896119 ARLALKIJMOMLGK-JTQLQIEISA-N 250.254 -0.785 10 10 CBCE O=C(N[C@H]1CCOC1=O)c1cc(O)c(O)c(O)c1 2068621963 SYVYWLNPRGNXSD-LURJTMIESA-N 253.210 -0.151 10 10 CBCE N[C@@H](CCO)C(=O)NCCc1ccc(O)c(O)c1 2073236087 ZYZVOWDWGVAUIE-VIFPVBQESA-N 254.286 -0.534 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)ccc1CO 2080937766 HXBTWWPGYIHELZ-AVGNSLFASA-N 253.298 -0.610 10 10 CBCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(=O)O 2120348609 YWZAKAUBRRZVOU-KGFZYKRKSA-N 269.253 -0.410 10 10 CBCE O=C(NCC[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 2132348761 RQFAIGPJKFYZDI-LURJTMIESA-N 271.225 -0.631 10 10 CBCE NCc1nnc(NC(=O)c2cc(O)c(O)c(O)c2)o1 2138815858 CKCSBIOGGWAWAQ-UHFFFAOYSA-N 266.213 -0.103 10 10 CBCE CC1(C)CO[C@H](CNC(=O)c2cc(O)nc(O)c2)CN1 2165614965 CAFHQMNERGAKEJ-SECBINFHSA-N 281.312 -0.010 10 10 CBCE Nc1ccc(OCC(=O)N2CCC[C@H]2[C@@H](O)CO)cc1 2179804423 RRVIQHJCYFHIQG-STQMWFEESA-N 280.324 -0.008 10 10 CBCE COc1ccc(N2CC(CO)(CO)C2)c(CN)c1 2220416726 DJNLONYOAARWBI-UHFFFAOYSA-N 252.314 -0.055 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(C=O)c1 2227694189 GJEXGOJLVYYZAM-FRRDWIJNSA-N 267.281 -0.590 10 10 CBCE CSc1ncc(CNC(=O)[C@H]2NC[C@@H](O)[C@H]2O)s1 2312984417 UDVBIHRNJDBUFN-GJMOJQLCSA-N 289.382 -0.825 10 10 CBCE CNC(=O)CN(C)C[C@@H](O)COc1ccc(N)cc1 37269584 FFGOPJJRCJSAFO-LLVKDONJSA-N 267.329 -0.314 10 10 CBCE O=C(O)[C@@H]1CNCCN1Cc1ccc(O)cc1O 88658622 QFEUITXOIQDOPH-JTQLQIEISA-N 252.270 -0.044 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCCS(=O)(=O)C1 90257952 LONAXUCFIZCLOO-MRVPVSSYSA-N 261.307 -0.681 10 10 CBCE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](CO)C[C@H]1n1ccc(N)nc1=O 256011844 XSOIFZFGJWIAOQ-JWIUVKOKSA-N 266.261 -0.581 10 10 CBCE NC(=O)CC1CN(C(=O)COc2ccc(N)cc2)C1 382105396 QALVUKIKIQQRNG-UHFFFAOYSA-N 263.297 -0.019 10 10 CBCE O=C1NC[C@H](CNC(=O)c2cccc(O)c2O)O1 1148225276 JKYDSLAFCXLUHK-LURJTMIESA-N 252.226 -0.064 10 10 CBCE CC(=O)NCCNC(=O)CN1CC[C@@H](N=[N+]=[N-])C1 1912177276 DFWHZCKFKRBFPQ-SECBINFHSA-N 254.294 -0.377 10 10 CBCE Nc1ccc(OCC(=O)N(CCO)C2COC2)cc1 1915543957 DLGYRCYVEPKHTK-UHFFFAOYSA-N 266.297 -0.133 10 10 CBCE CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C1COC1 1915696019 DBEREVZNWNQONN-JTQLQIEISA-N 266.297 -0.175 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)[C@@H]1CCNC1=O 1916797838 CXCONXHEXYLWAC-MNOVXSKESA-N 261.281 -0.003 10 10 CBCE C[C@H](NC(=O)c1ccc(O)c(O)c1)C1(O)CNC1 1918697685 SBLGHPDBOUVZRU-ZETCQYMHSA-N 252.270 -0.450 10 10 CBCE CN1CCNC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 1968738669 CQRQLJHHAMWEHW-NSHDSACASA-N 279.340 -0.340 10 10 CBCE NS(=O)(=O)NCCNCc1cccc(Cl)c1O 1995949124 GUPPZEALJZPFGA-UHFFFAOYSA-N 279.749 -0.072 10 10 CBCE Oc1c(Cl)cccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2046515161 UHENMCKMQFWMPJ-LLHIFLOGSA-N 273.716 -0.010 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H]3CCNC3=O)c2n1 2064338276 CMTDJDVXUSKNKS-VIFPVBQESA-N 289.295 -0.296 10 10 CBCE COC[C@@](C)(O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348637 PPGUXPCHFCSHKK-LBPRGKRZSA-N 271.269 -0.069 10 10 CBCE CN1CC(N(C)C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2145488035 HZMYAEMRWPKDBV-NSHDSACASA-N 279.340 -0.260 10 10 CBCE NC(=O)C1(N)CCN(C(=O)c2ccc(O)c(O)c2)CC1 2154305724 FFXMTEZBNZVFEK-UHFFFAOYSA-N 279.296 -0.483 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@H]21 2201278118 LCHUXARBMAYIGK-SPFNVWMYSA-N 273.292 -0.160 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(N)c1 2225721598 LLSGATXGGFOCJK-STQMWFEESA-N 268.313 -0.428 10 10 CBCE Cc1cc([C@@H](C)N)ccc1N1CCNC(=O)[C@H]1C(N)=O 2240746300 WAPXACIHUJDIDJ-BXKDBHETSA-N 276.340 -0.195 10 10 CBCE CSc1ncc(CNC[C@@H]2NC[C@H](O)[C@H]2O)s1 2248730302 WULQWSJWPXWIEB-CIUDSAMLSA-N 275.399 -0.352 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)c2ncn3c2CNCC3)C1 2271035654 ANDNBZXWGCMZDY-KYZUINATSA-N 262.313 -0.135 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1CO[C@H]2CNC[C@@H]2O1 2279929103 OTKMPTDQSXSSTM-AVGNSLFASA-N 278.308 -0.236 10 10 CBCE CN(Nc1ncc(C(N)=O)s1)S(=O)(=O)C1CC1 2301516437 ITTCOANVEMHVTI-UHFFFAOYSA-N 276.343 -0.007 10 10 CBCE Oc1cc2c(c(O)c1O)CCN[C@H]2Cn1cnnn1 75818953 DXMBUADNBWSXIY-QMMMGPOBSA-N 263.257 -0.323 10 10 CBCE Cc1ccc(O)c([C@H](N)C(=O)NC[C@@H](O)CO)c1 83398395 JXMLLQPROMTPRM-KCJUWKMLSA-N 254.286 -0.830 10 10 CBCE C[C@H]1OCC[C@]1(O)CNC(=O)c1cc(O)nc(O)c1 227189389 LSFGJTYSQQTHCF-KRTXAFLBSA-N 268.269 -0.238 10 10 CBCE C[C@H]1[C@@](NCCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 380957830 RYMSCNKGKKLNBU-IONNQARKSA-N 275.334 -0.293 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN2C[C@H](O)C[C@H]2C1 405317663 PXAYTNIYOOBZTN-VHSXEESVSA-N 279.296 -0.616 10 10 CBCE O=C(N[C@@H]1COCC[C@H]1O)c1cc(O)nc(O)c1 710867745 TXZVYSFIJLADBT-HTQZYQBOSA-N 254.242 -0.628 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCOC[C@@H]2N)cc1 1876444061 XOOOTPGRQZPQKU-NWDGAFQWSA-N 265.313 -0.120 10 10 CBCE CNCCNS(=O)(=O)CCOc1ccc(N)cc1 2071669885 RDOJGGCUIAUIMD-UHFFFAOYSA-N 273.358 -0.214 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCNC[C@@H]1O 2071716446 PPPNJYMSDHJWNI-UWVGGRQHSA-N 250.302 -0.498 10 10 CBCE N[C@@H]1CC=C(C(=O)N2CCn3ncc(C(=O)O)c32)C1 2088834883 LNLPVIFJTGNJPM-MRVPVSSYSA-N 262.269 -0.025 10 10 CBCE O=C1CN(C(=O)c2cc(O)nc(O)c2)[C@@H]2CC[C@@H]2N1 2112063420 WUSVRCKVDRVAKZ-JGVFFNPUSA-N 263.253 -0.404 10 10 CBCE Cc1cc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)ccc1CO 2127264053 LITJCFIHWMBEJF-OLZOCXBDSA-N 265.309 -0.202 10 10 CBCE Cc1cccc(CNC(=O)[C@H](F)C2(O)CNC2)c1O 2139744507 YDGNTBZTDNTSAC-NSHDSACASA-N 268.288 -0.011 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CO 2232102386 KOYXPXRIKMZZDH-HBEIAFGSSA-N 267.325 -0.049 10 10 CBCE CN(C)C=C1C(=N)N=C(N2CCOCC2)NC1=O 2293241928 KLXUCSVBLVTXPV-UHFFFAOYSA-N 251.290 -0.773 10 10 CBCE Cc1cccc(CNC(=O)[C@H]2NC[C@@H](O)[C@H]2O)c1O 2333190691 ZFMXPKHPIVNDKN-JFGNBEQYSA-N 266.297 -0.990 10 10 CBCE NC[C@]1(CO)COCCN1C(=O)c1cccc(O)c1O 694633705 BHODWNDEBBHZTO-ZDUSSCGKSA-N 282.296 -0.740 10 10 CBCE Nc1ccc(OCC(=O)NCC(CO)CO)cc1 2059276265 AIRMNKGUCWAISX-UHFFFAOYSA-N 254.286 -0.635 10 10 CBCE CCNCc1ccc(N2CC(O)(C(N)=O)C2)cc1OC 2204545714 SHYXYZGIHOVZPA-UHFFFAOYSA-N 279.340 -0.159 10 10 CBCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 2225797224 DRQXCBNIDZECAN-QYNIQEEDSA-N 266.261 -0.068 10 10 CBCE CN1C(=O)C[C@H](NCc2ccc(O)cc2O)C1=O 115261145 FCCWEQPJDYDQKJ-VIFPVBQESA-N 250.254 -0.055 10 10 CBCE NC(=O)CN(CCCc1ccc(N)cc1)CC(N)=O 122661890 FJEURYYNPWUKDL-UHFFFAOYSA-N 264.329 -0.526 10 10 CBCE C[C@@H](c1c(O)cccc1O)N(CC(N)=O)CC(N)=O 235464019 QKGHNSQUGBEEFT-ZETCQYMHSA-N 267.285 -0.569 10 10 CBCE Nc1ccc(OCCN2CCNS2(=O)=O)cc1 308372287 GECADCSBAJKGND-UHFFFAOYSA-N 257.315 -0.202 10 10 CBCE NC(=O)[C@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1 383647420 NDRPHOWEYHFVEQ-ZDUSSCGKSA-N 280.280 -0.450 10 10 CBCE C[C@H](CNCc1ccc(O)c(O)c1O)S(N)(=O)=O 398268612 YUZNSFJKVLVKDP-ZCFIWIBFSA-N 276.314 -0.430 10 10 CBCE CCOC(=O)C(=O)[C@H](N)c1ccc(O)c(O)c1O 725274707 BZQZONPNSYTZGA-SSDOTTSWSA-N 255.226 -0.065 10 10 CBCE COCC1(NC(=O)COc2ccc(N)cc2)CNC1 1876671693 ADIZRPGSDYJZCH-UHFFFAOYSA-N 265.313 -0.248 10 10 CBCE N[C@H]1C(=O)Nc2cc(N(CCO)C3COC3)ccc21 1915538388 CMVHUWMPBABWQS-GFCCVEGCSA-N 263.297 -0.164 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1COCC[C@H]1O 2046416907 LUPWBSPQXWMUOF-NXEZZACHSA-N 251.286 -0.071 10 10 CBCE N[C@@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068627351 GJVYULFQQHXXNC-RQJHMYQMSA-N 254.242 -0.741 10 10 CBCE O=C(O)C1(CO)CN(Cc2ccc(O)cc2O)C1 2081049935 QURIYPYZGWLZAV-UHFFFAOYSA-N 253.254 -0.023 10 10 CBCE NC(=O)[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C1CC1 2096497054 SOCCKFARGUXHQD-LLVKDONJSA-N 283.353 -0.048 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1COC[C@@H]1O 2099402434 IWFCCLOQIMJOHS-RYUDHWBXSA-N 265.313 -0.684 10 10 CBCE N[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1CO 2122380299 ZBYNKJLMWRCJOX-PSASIEDQSA-N 266.297 -0.121 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN[C@H]2COC[C@H]21 2132579023 JJTBUZPFHKCWLA-DTWKUNHWSA-N 265.269 -0.694 10 10 CBCE CCOC[C@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 2155589989 CVWDTFRUXUBOPO-CYBMUJFWSA-N 281.356 -0.047 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O)c1ccc(O)c(O)c1 2166419097 QWQVOBFLBJKWJM-AAPHMBFNSA-N 279.292 -0.042 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 2182533733 OSAQWUCASXZTHA-IVQVNHIISA-N 280.280 -0.694 10 10 CBCE CN(CCO)CCN(C)C(=O)c1cc(O)c(O)c(O)c1 2188868751 WFEFCRGZDZXAJA-UHFFFAOYSA-N 284.312 -0.201 10 10 CBCE CNC(=O)OC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188923257 LMAZIZUDBHQFOM-UHFFFAOYSA-N 282.252 -0.016 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@]23CN[C@@H](CO2)C3)cc1 2191705509 CDGBLNOCPHPOIX-CHWSQXEVSA-N 297.380 -0.181 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)[C@H](CO)C1)NC(=O)CO2 316208573 SIOOIOMEBXBNNJ-WRWORJQWSA-N 279.296 -0.611 10 10 CBCE O=S1(=O)C[C@H](c2cc(O)c(O)c(O)c2)NCCN1 1952450613 ICWYTWWYKDIKAI-SSDOTTSWSA-N 274.298 -0.633 10 10 CBCE COCCNCC(=O)NCCc1ccc(O)c(O)c1 1968738652 CJOYGVWBHZACCU-UHFFFAOYSA-N 268.313 -0.008 10 10 CBCE NC(=O)CONC(=O)CCOc1ccc(N)cc1 2071677770 ZOMVVZXRHSONAX-UHFFFAOYSA-N 253.258 -0.429 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCN2CCNC2=O)cc1 2146765518 MOCUDJUEYQFAGJ-UHFFFAOYSA-N 298.368 -0.287 10 10 CBCE O=C(NC1[C@H]2CS(=O)(=O)C[C@H]12)c1cc(O)c(O)c(O)c1 2188911916 GOFLQTYRHLPVOZ-BQBZGAKWSA-N 299.304 -0.424 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CNCC[C@H]2CO)cc1 2191790010 CRYLQGQSRKTEGC-AAEUAGOBSA-N 299.396 -0.341 10 10 CBCE NCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1F 2225728729 MEVJIISAQOAKIE-STQMWFEESA-N 270.304 -0.421 10 10 CBCE [N-]=[N+]=NCCN[C@H](C(=O)O)c1cn(CCCO)nn1 90639296 SIEDNPUHCWVAKX-QMMMGPOBSA-N 269.265 -0.314 10 10 CBCE O=C(NC(=O)C1CCNCC1)c1cc(O)nc(O)c1 170223514 HSARDLIVMNPXAX-UHFFFAOYSA-N 265.269 -0.251 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1F 616585207 ISWXDJFQYOARQG-XZMZPDFPSA-N 287.207 -0.824 10 10 CBCE COC(=O)C1(O)CN(c2cc3c(cc2N)OCCO3)C1 714463988 LBGLCLNSEZFKCB-UHFFFAOYSA-N 280.280 -0.236 10 10 CBCE CCOC(=O)[C@H](N)C(=O)NCc1ccc(OC)cc1O 852889880 GLPSKAKARPDQKT-LLVKDONJSA-N 282.296 -0.093 10 10 CBCE CN(C(=O)c1cccc(O)c1O)C1CS(=O)(=O)C1 913139238 HULOIVACWKPOGZ-UHFFFAOYSA-N 271.294 -0.033 10 10 CBCE Nc1ccc(N2C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C2=O)c(F)c1 1924758759 VWUKIBMHDSXUSL-HTQZYQBOSA-N 298.295 -0.058 10 10 CBCE COC(=O)[C@H](N)[C@@H](OC)c1cc(O)c(O)c(O)c1 1952305610 AYPJCILVXGPXJE-SCZZXKLOSA-N 257.242 -0.009 10 10 CBCE CN(C)C(=O)CNC(=O)c1cc(O)c(O)c(O)c1 2068568760 ZITKNWMZQWTQAA-UHFFFAOYSA-N 254.242 -0.379 10 10 CBCE N[C@@H]1C[C@H](O)[C@@H](CNC(=O)c2cccc(O)c2O)C1 2096481360 SGTAIHUHNKGMFF-FYBVGQRMSA-N 266.297 -0.074 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2NCCO[C@@H]2C1 2097692116 FVDXGPBZUVBGBO-BXKDBHETSA-N 264.281 -0.089 10 10 CBCE CNC1(C(N)=O)CN([C@H](C)c2c(O)cccc2O)C1 2109491894 YQOJMHSHOKHCEY-MRVPVSSYSA-N 265.313 -0.082 10 10 CBCE CS(=O)(=O)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132405696 BFPQCRXMSPNQEE-UHFFFAOYSA-N 287.293 -0.328 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)N1CCC1 2149327875 BHDYYUSCGVDVDY-UHFFFAOYSA-N 298.368 -0.493 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CNC[C@@H](O)C1 2155380653 VMCVMVDTNUGBRS-MNOVXSKESA-N 280.324 -0.273 10 10 CBCE C[C@H]1COC[C@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 2168279868 ZPAFPUSWXZPBQB-POYBYMJQSA-N 282.252 -0.193 10 10 CBCE O=C1N[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]2O1 2176927906 PKYBYQLEJOHHTH-KCJUWKMLSA-N 278.264 -0.041 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1COC[C@H]1F 2191531785 NOOSCODYXZUNQO-KXUCPTDWSA-N 284.287 -0.179 10 10 CBCE Cc1ccc(CN2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)c(O)c1 2204662707 MFCWZBMOYSUXRQ-QWRGUYRKSA-N 275.308 -0.501 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2273671412 FGXUQWCANCUNLL-KWCYVHTRSA-N 267.325 -0.362 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H](O)CC3)ccc21 2284548445 AHMBQPFIRSUOCJ-AVGNSLFASA-N 277.324 -0.040 10 10 CBCE Cc1cc(O)nc(NC=C2C(=O)NC(=O)NC2=O)n1 16990412 MXJKBPILQHAPKH-UHFFFAOYSA-N 263.213 -0.848 10 10 CBCE CNC(=O)[C@@H]1CNCCN1Cc1ccc(OC)cc1O 89082919 NQZRIGDSUZOSIK-LBPRGKRZSA-N 279.340 -0.079 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCS(=O)(=O)CC3)cc21 131349064 MREQCNSDNOMPFZ-GFCCVEGCSA-N 295.364 -0.102 10 10 CBCE NC(=O)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 381887948 MOGHZCOUMVMYHQ-UHFFFAOYSA-N 269.326 -0.484 10 10 CBCE CO[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 396069655 UXSYGPGITGYRMJ-VXGBXAGGSA-N 286.353 -0.210 10 10 CBCE NC(=O)C1(O)CN(c2ccc(CO)cc2Cl)C1 1915229521 FSFORNIXLXXDRG-UHFFFAOYSA-N 256.689 -0.131 10 10 CBCE Nc1ccc(CC(=O)NC2(CO)CC(O)C2)cc1 2073612778 XWXKJVWEJQZDSK-UHFFFAOYSA-N 250.298 -0.187 10 10 CBCE O=C(O)CN(CCO)C(=O)Cc1ccc(O)c(O)c1 2087730062 UQQLTQGTTMBEGT-UHFFFAOYSA-N 269.253 -0.454 10 10 CBCE CN1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O 2132350142 LASVWQWKHKHZLV-SSDOTTSWSA-N 266.253 -0.236 10 10 CBCE O=C1C[C@@H](NC(=O)[C@H]2CNc3ccccc3N2)C(=O)N1 2152387981 JMSNEBIPFMARFX-NXEZZACHSA-N 274.280 -0.576 10 10 CBCE Nc1ccc(OCC(=O)NC2CN(C3COC3)C2)cc1 2171179382 XLEHODHEFGXNQI-UHFFFAOYSA-N 277.324 -0.153 10 10 CBCE N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1(O)CCC1 2188071909 KJPPNBIOLRVQOE-LBPRGKRZSA-N 280.324 -0.001 10 10 CBCE NC(=O)C1(CNC(=O)CCc2ccc(N)cc2)CNC1 2191747148 GKTDEFLQWPHQEN-UHFFFAOYSA-N 276.340 -0.608 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2225800324 QKEJHAXQMQRBSK-HTQZYQBOSA-N 290.349 -0.270 10 10 CBCE CNCCCNC(=O)[C@@H](N)c1ccc(O)c(O)c1 83395671 AIHCIHRAKVPVTP-NSHDSACASA-N 253.302 -0.177 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCCNC(=O)C3)ccc21 87884513 BWAOCSOLEFBBLU-LBPRGKRZSA-N 260.297 -0.035 10 10 CBCE CCOc1cccc(CNC[C@H](O)C(N)=O)c1O 228613160 JNEMZWGPKFOPQN-VIFPVBQESA-N 254.286 -0.273 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC(F)(F)CO 228756911 SSIMBFNFNMDYKW-QMMMGPOBSA-N 290.266 -0.289 10 10 CBCE NC[C@H]1COCCN1C(=O)c1ccc(O)c(O)c1 236207346 DRBCJRONSWPRPZ-VIFPVBQESA-N 252.270 -0.103 10 10 CBCE C[C@@H]1O[C@H](Oc2ccc(N)cc2)[C@H](O)[C@H](O)[C@@H]1O 255966890 CITVZWPAGDTXQI-FBRIDRNKSA-N 255.270 -0.525 10 10 CBCE NC(=O)[C@@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1 383647418 NDRPHOWEYHFVEQ-CYBMUJFWSA-N 280.280 -0.450 10 10 CBCE C[S@](=O)(CCN)=NC(=O)c1cc(O)nc(O)c1 1924682619 LMPXSCWAWUWHGW-KRWDZBQOSA-N 259.287 -0.311 10 10 CBCE COC(=O)[C@@H](N)[C@@H](OC)c1ccc(O)c(O)c1O 1952364062 AVVJVBHMZLOWOX-XVKPBYJWSA-N 257.242 -0.009 10 10 CBCE COC(=O)[C@@H](N)CNCCc1ccc(O)c(O)c1 2031079560 ROWMSPXPTPPWTJ-VIFPVBQESA-N 254.286 -0.270 10 10 CBCE O=C(NC[C@H]1CCNC1=O)c1cc(O)nc(O)c1 2080488093 QZJGWWHPQXCVHA-ZCFIWIBFSA-N 251.242 -0.641 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2CCS2(=O)=O)cc1 2094344918 QOVKQCXYVWJTRH-NSHDSACASA-N 284.337 -0.049 10 10 CBCE Nc1ccc(CCC(=O)N2NC(=O)C[C@H]2C(=O)O)cc1 2144373154 LZDREZFXCQGANX-JTQLQIEISA-N 277.280 -0.082 10 10 CBCE COC(=O)[C@]1(N)C[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2151215937 HMEQKQRBAWMGOO-XCSCGOTBSA-N 280.280 -0.140 10 10 CBCE COC(=O)[C@@H](CC(=O)O)NC(=O)c1ccc(O)c(O)c1 2158997711 FZLPHABTGRRTNQ-SSDOTTSWSA-N 283.236 -0.156 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2160716182 LFTFKCFBIAYEER-VAYSNVFOSA-N 278.308 -0.400 10 10 CBCE O=C1N[C@H]2CN(c3ccc(CO)cc3Cl)C[C@H]2NC1=O 2166791225 QIMHJHHAQJIRMW-AOOOYVTPSA-N 295.726 -0.365 10 10 CBCE COc1cccc(O)c1CN[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O 2177947001 CDRLTYDSGRLVOY-UMGHXEBTSA-N 283.324 -0.407 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CCC[C@H]2N 2184693447 RCTCKJRYVABVEY-GFCCVEGCSA-N 276.340 -0.200 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2ccc(F)cc2O)C[C@@H]1O 2204630773 ZLRUDMHOGJBCDH-AAEUAGOBSA-N 285.271 -0.086 10 10 CBCE Cc1cc(N2CC[C@](O)(CO)[C@H](O)C2)ccc1CN 2225731373 ZNFWEJNCLVXNNG-KGLIPLIRSA-N 266.341 -0.252 10 10 CBCE O=C(NC(CF)(CF)C(=O)O)c1cc(O)nc(O)c1 2277934861 LASOAWDQDNKWMW-UHFFFAOYSA-N 276.195 -0.015 10 10 CBCE COC[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C=CCN1 2314783682 KWPXLSDOMOXVQA-GIPNMCIBSA-N 252.314 -0.203 10 10 CBCE COc1cccc(CNCCS(N)(=O)=O)c1O 36745346 SMAMRECALDBFJF-UHFFFAOYSA-N 260.315 -0.221 10 10 CBCE O=C1NCCN(c2ccc3c(c2)OCO3)[C@H]1CO 214523624 FZVNKTXASVMMCJ-VIFPVBQESA-N 250.254 -0.288 10 10 CBCE NCCCC[C@@H](NC[C@H]1SC(=S)NC1=O)C(=O)O 247706559 FLDSVSUIAHKEOU-RNFRBKRXSA-N 291.398 -0.325 10 10 CBCE Oc1ccc(CNC[C@H]2CN3CCN2CC3)c(O)c1O 394789034 IJCGSUWNKVWUHI-NSHDSACASA-N 279.340 -0.107 10 10 CBCE NC(=O)CN1CCN(CCc2ccc(N)cc2)CC1 700797476 NYMHKNCDUMCVKM-UHFFFAOYSA-N 262.357 -0.086 10 10 CBCE Cn1nnnc1CCNC(=O)c1cc(O)cs1 772927580 ASEFMDYTNUPGHV-UHFFFAOYSA-N 253.287 -0.050 10 10 CBCE O=C1NC(=O)C2(CN(C(=O)c3c(F)ccc(O)c3O)C2)N1 1472632222 IQTYUGVECXVTRN-UHFFFAOYSA-N 295.226 -0.729 10 10 CBCE Cn1c(CN2CC(N=[N+]=[N-])C2)cc(=O)n(C)c1=O 1912203058 BCHZHEOSPZRDJV-UHFFFAOYSA-N 250.262 -0.422 10 10 CBCE Nc1ccc(CO[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 1924894152 HAPPHKWARQDSGS-GHMZBOCLSA-N 257.311 -0.057 10 10 CBCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)CO 2068575606 DDKRYYVPGLMMLL-ANLVUFKYSA-N 257.242 -0.725 10 10 CBCE COc1cc(N2C[C@@H](O)[C@@H](CO)C2)ccc1CN 2084016466 JNTZHJLEYIRBEL-ZYHUDNBSSA-N 252.314 -0.057 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@@H](CO)C2)ccc1CO 2132058022 LFPGFQSNPREKOM-SKDRFNHKSA-N 268.269 -0.124 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1O 2136289517 XNYUOBIBPNXKCZ-VFHFYPCJSA-N 269.297 -0.652 10 10 CBCE CO[C@@H]1C[C@H](N)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188908252 BCVNIFYXUKZEPU-DTWKUNHWSA-N 282.296 -0.008 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CN[C@@H](CO)[C@@H]2C1 2235557379 ODYJTNBHWOBNEN-AEJSXWLSSA-N 279.296 -0.855 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2273692362 FQUQSHTZCADGKW-HYKPAMGXSA-N 266.341 -0.143 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(C)c1 2289486902 BKOSHKAPNPLUKG-SNPRPXQTSA-N 280.368 -0.135 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c1 2308770631 CKJUBMVWXYLHPY-SKZLGDCLSA-N 250.298 -0.100 10 10 CBCE O=C1C[C@H](NCCO)C(=O)c2c(O)ccc(O)c21 34130120 IKKMIQJUXDTWQX-LURJTMIESA-N 251.238 -0.183 10 10 CBCE CNC(=O)CCN(CC(N)=O)Cc1ccc(N)cc1 51760184 ZPLFLHOPFOCRNH-UHFFFAOYSA-N 264.329 -0.308 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2ccccc2O)C1 228414560 FXNVCSXPBFIGCZ-ONGXEEELSA-N 257.311 -0.360 10 10 CBCE CN1C[C@@H](NC(=O)CCc2ccc(N)cc2)C(=O)N1 393903639 IQDNORNQJGCFAJ-LLVKDONJSA-N 262.313 -0.337 10 10 CBCE NC[C@]1(NC(=O)c2ccc(O)c(O)c2)CCOC1 393962779 BCNIDEFQJIMCIE-GFCCVEGCSA-N 252.270 -0.055 10 10 CBCE NC(=O)[C@H]1CN(c2ccc(CO)c(Cl)c2)C[C@@H]1C(N)=O 693380815 ZDATYOVKNZAFIZ-UWVGGRQHSA-N 297.742 -0.145 10 10 CBCE CN1CCc2cc(CNC(C(N)=O)C(N)=O)ccc21 695269358 YRVOIUVFFRWAEX-UHFFFAOYSA-N 262.313 -0.892 10 10 CBCE Nc1ccc(CC(=O)OCCN2C(=O)CNC2=O)cc1 695330029 ZQQJDIAEYPEENI-UHFFFAOYSA-N 277.280 -0.094 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COCC[C@H]2O)cc1 710884201 JXMPQLIENBMYOB-NWDGAFQWSA-N 286.353 -0.162 10 10 CBCE CC(=O)C(=O)COC(=O)c1cccc(OCC(N)=O)c1 808500287 IHURSAJSTMLHBN-UHFFFAOYSA-N 279.248 -0.134 10 10 CBCE COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(N)=O 1623266666 NRPPAUDHRCYVKF-MRVPVSSYSA-N 268.269 -0.743 10 10 CBCE Nc1cc(O)ccc1NS(=O)(=O)C1CS(=O)(=O)C1 1917941548 FPFQSKHNNWCAIM-UHFFFAOYSA-N 292.338 -0.487 10 10 CBCE O=S1(=O)C[C@@H](c2cc(O)ccc2O)NCCN1 1952449579 SNXDSYRVMRDPBS-VIFPVBQESA-N 258.299 -0.339 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](O)C[C@H](O)C2)cc1 2105114453 VWHAZCBYVFRAJU-RYUDHWBXSA-N 265.313 -0.365 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2([C@H](O)CO)CC2)cc1 2133593986 KJGGHIGMFSHKOP-LLVKDONJSA-N 286.353 -0.426 10 10 CBCE C[C@](O)(CNC(=O)Cc1ccc(O)c(O)c1)CC(=O)O 2144019827 PZRMKTDBTDREQL-CYBMUJFWSA-N 283.280 -0.018 10 10 CBCE NC(=O)[C@@H]1CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2145616891 LSUFVMRNHFHTEX-IUCAKERBSA-N 279.296 -0.946 10 10 CBCE NC(=O)[C@@H]1CNC[C@@H](NC(=O)c2cccc(O)c2O)C1 2151065223 UPTWTQUQAMXOKA-YUMQZZPRSA-N 279.296 -0.709 10 10 CBCE Oc1ccc(CN[C@@H]2CCn3nnnc3C2)c(O)c1O 2175912398 QGGRPTJNTUNLPP-MRVPVSSYSA-N 277.284 -0.106 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1(C(=O)O)CC(O)C1 2193455997 LFEUPSFROUOQHC-UHFFFAOYSA-N 281.264 -0.265 10 10 CBCE O=C1Nc2cc(N3CC[C@@H]3[C@H](O)CO)ccc2[C@H]1O 2270697095 HVXJOVGBLUWJKV-IJLUTSLNSA-N 264.281 -0.396 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1cc(F)ccc1O 2332875347 LPABPERYEDBISA-GMTAPVOTSA-N 271.244 -0.478 10 10 CBCE COC[C@@H](C(N)=O)N(C)C(=O)c1ccc(C)c(O)c1O 817941179 VSHNWIHIZFUYNP-VIFPVBQESA-N 282.296 -0.021 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1F 1614606277 ISWXDJFQYOARQG-UTSKPXGSSA-N 287.207 -0.824 10 10 CBCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])C1CS(=O)(=O)C1 1912164767 CPXOQQNWIZVWNP-VIFPVBQESA-N 276.318 -0.137 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912203826 SLYQVTFZQBWKPE-ZETCQYMHSA-N 282.347 -0.255 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H](O)CO 1963565789 OPNAHMHUCQJQGB-SECBINFHSA-N 255.270 -0.500 10 10 CBCE Cn1c(C(=O)C(=O)C[C@H]2C[C@H](N)C2)cnc1CN 2059042108 MFUIIMHOBINORQ-ZKCHVHJHSA-N 250.302 -0.242 10 10 CBCE CNC(=O)CS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2089660328 JRAKROCHFZYNQL-UHFFFAOYSA-N 287.293 -0.559 10 10 CBCE CN(C)c1ccc(CNCC(CO)(CO)CO)cc1 2123234397 OMHLNNALOXZJKP-UHFFFAOYSA-N 268.357 -0.195 10 10 CBCE COc1cc(N2CC(OC)(C(N)=O)C2)ccc1CO 2139701011 QZXDBPJUXGCQHJ-UHFFFAOYSA-N 266.297 -0.122 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)C[C@@H]1CO 2200827865 BIFCECHQMOQPIS-MNOVXSKESA-N 281.308 -0.016 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CF)ccc21 2205601116 RLIWQLCZTXYWBA-FIQHERPVSA-N 281.287 -0.482 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1CO 26173884 YIEFKLOVIROQIL-ATRFCDNQSA-N 252.234 -0.216 10 10 CBCE O=C(N[C@@H](CCO)C(=O)O)c1ccc(O)c(O)c1 236503366 BMDHTCJPMZMNGJ-ZETCQYMHSA-N 255.226 -0.337 10 10 CBCE C[C@@H](C(N)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 723179814 SLEIURPBAPVRHW-WRWORJQWSA-N 262.313 -0.027 10 10 CBCE CO[C@H]1CNC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876405724 HIJRRMFRHLHQHD-RYUDHWBXSA-N 285.369 -0.325 10 10 CBCE COc1cccc(O)c1CN1CC(N)(C(N)=O)C1 2047095814 SDLYBISSUBPUBL-UHFFFAOYSA-N 251.286 -0.601 10 10 CBCE NS(=O)(=O)NCCCNC(=O)c1ccc(O)c(O)c1 2101317623 QUJVLTODMLRFKS-UHFFFAOYSA-N 289.313 -0.989 10 10 CBCE O=C(N[C@H]1CN[C@@]2(CCOC2)C1)c1cc(O)nc(O)c1 2155204271 XQJWUWQCTKWEAJ-RNCFNFMXSA-N 279.296 -0.256 10 10 CBCE Nc1ccc(CCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)cc1 2177852445 XFDIWJSWQHLKKG-NWDGAFQWSA-N 298.364 -0.525 10 10 CBCE Nc1ccc(OCCC(=O)N2CCNC[C@@H](O)C2)cc1 2191718577 BFSGXNAUXRUOJO-GFCCVEGCSA-N 279.340 -0.170 10 10 CBCE C[C@@H](Sc1ncc(C(N)=O)s1)C(=O)NCC(=O)O 2223315678 JKWTZRCMDLQCOH-SCSAIBSYSA-N 289.338 -0.077 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@@H](CO)C3)ccc21 2289403895 KOUWZAGQLZSJMX-RABLLNBGSA-N 278.352 -0.217 10 10 CBCE C[C@H](N)[C@@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2341198465 NTBNRZKTPLHAJZ-JVXZTZIISA-N 266.297 -0.309 10 10 CBCE O=C(NCCCc1nnc[nH]1)c1cc(O)nc(O)c1 113019043 OCXPFJXFXBQVOO-UHFFFAOYSA-N 263.257 -0.027 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)c1ncc[nH]c1=O 162986083 JXVVPLZMGIYZGG-UHFFFAOYSA-N 273.296 -0.156 10 10 CBCE CN1CCN(NC(=O)c2ccc(O)c(O)c2)CC1 234325053 UKORCBZHLVHOHK-UHFFFAOYSA-N 251.286 -0.010 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)[C@H](CO)C1 316229554 UMGYQWSZHDOJLZ-GBIKHYSHSA-N 279.340 -0.119 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCNC2)C1 717434267 DRDAKCFYDXBCAE-ZDUSSCGKSA-N 279.296 -0.303 10 10 CBCE CC1(C(N)=O)CN(C[C@H](O)COc2ccc(N)cc2)C1 1914215719 NPDPKKBFVAPSMN-NSHDSACASA-N 279.340 -0.184 10 10 CBCE Nc1ccc(CC(=O)N2CCN[C@@H](CCO)C2)cc1 1967033103 SQULAKDHBBBIMK-ZDUSSCGKSA-N 263.341 -0.006 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNC[C@H]1O 2027481429 MXNWUCXOWRFGCQ-LDYMZIIASA-N 252.270 -0.911 10 10 CBCE C[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(=O)O 2056769548 VJZGEXWLMCNHIH-XNCJUZBTSA-N 255.226 -0.338 10 10 CBCE CO[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)c(O)c1 2058676211 LXXGOYLHJISPHR-LDYMZIIASA-N 252.270 -0.186 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@@H](O)CO)cc1 2061854344 HPWHAMPAXFNLNI-SNVBAGLBSA-N 254.286 -0.493 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)c2cnn3c2CNCC3)C1 2112563859 YTINFWMMWRYNMA-KYZUINATSA-N 262.313 -0.135 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1O 2136289514 XNYUOBIBPNXKCZ-CETXONJKSA-N 269.297 -0.652 10 10 CBCE O=C(NC[C@]1(O)CCCNC1)c1cc(O)nc(O)c1 2136617890 PZCQFTAHBYTSMN-LBPRGKRZSA-N 267.285 -0.663 10 10 CBCE O=C(N[C@@]12CC[C@@H](C1)[C@@H](O)[C@@H]2O)c1cc(O)nc(O)c1 2176910473 GUQCSNUOPPMJMT-SHGJWOQOSA-N 280.280 -0.503 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@@H]2O 2184738220 QWCSENORUSHCRR-RYUDHWBXSA-N 275.308 -0.544 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@@H]2COC[C@H]21 2189100923 KIAMTUKSOZHCAP-GHMZBOCLSA-N 278.308 -0.161 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@@H]2CNC[C@H]2O)cc1 2191758991 YZAQCSKEUOWHRQ-GXFFZTMASA-N 279.340 -0.266 10 10 CBCE C[C@@H](O)c1cc(F)c(N(CC(N)=O)CC(N)=O)c(F)c1 2194515851 HGSYNDDWZNEWAE-ZCFIWIBFSA-N 287.266 -0.205 10 10 CBCE Nc1cc2c(cc1N(CCO)CCO)CCC(=O)N2 40694590 WGRWWCPWAWVVDL-UHFFFAOYSA-N 265.313 -0.056 10 10 CBCE NC(=O)CS(=O)(=O)CCOc1ccc(N)cc1 58262830 LKFHILZUWUGJQU-UHFFFAOYSA-N 258.299 -0.452 10 10 CBCE CO[C@H](CNC(=O)c1cccc(O)c1O)C(=O)O 227263142 RPIJOCOCPINQSY-MRVPVSSYSA-N 255.226 -0.073 10 10 CBCE O=C1CN(C(=O)c2ccc(O)c(O)c2)CC(=O)N1 236555243 MEMXNOKGCCADLD-UHFFFAOYSA-N 250.210 -0.804 10 10 CBCE Oc1ccc(CNCCc2nn[nH]n2)c(O)c1O 394098865 YZXORFGYVYGXBB-UHFFFAOYSA-N 251.246 -0.351 10 10 CBCE COc1ccc(N2CCN(C(=O)[C@H](N)CO)CC2)cc1 1340138381 GMPYAXDZBWCKJG-CYBMUJFWSA-N 279.340 -0.337 10 10 CBCE COc1cc(C(=O)N[C@H](CO)CNC(C)=O)cc(OC)n1 1738863543 SNPSSTLLRUXFCG-JTQLQIEISA-N 297.311 -0.674 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2CNC[C@H]2O)cc1 1876665503 ODANYVCGDDQIDA-NWDGAFQWSA-N 265.313 -0.513 10 10 CBCE Nc1ccc(CC(=O)NC[C@H]2COC[C@H]2O)cc1 2036563508 DGGGEFKWJBAZLL-CMPLNLGQSA-N 250.298 -0.065 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(N)c1 2081010243 UNXRSNAMZIXFQQ-GRYCIOLGSA-N 254.286 -0.820 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COC[C@@H]2CO)cc1 2090318531 PODRFORQCNKUIM-CABZTGNLSA-N 266.297 -0.229 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@]2(CO)C[C@]2(CO)C1 2146313306 IYQIFTDHGQWLHT-ZIAGYGMSSA-N 279.292 -0.085 10 10 CBCE CN(CC(CO)CO)c1ccc2c(c1)N(C)C(=O)[C@H]2O 2150417269 ZDDOGIZKHICBBU-ZDUSSCGKSA-N 280.324 -0.267 10 10 CBCE O=C1CN(C(=O)c2cccc(O)c2O)CCN1CCO 2171081015 JXGRIXBISFNTMB-UHFFFAOYSA-N 280.280 -0.626 10 10 CBCE CN(C)C[C@H](O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2188874012 CGXHZANKRVVTDW-VIFPVBQESA-N 284.312 -0.202 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1 2219635816 RNIVUJYVOXUJDY-OLZOCXBDSA-N 253.298 -0.010 10 10 CBCE O=C1NOC[C@H]1NCc1cc2c(cc1O)OCO2 393769066 INFVICOLFYHFQC-SSDOTTSWSA-N 252.226 -0.360 10 10 CBCE CC(=O)C(=O)COC(=O)[C@H]1CSCN1C(C)=O 808515669 WDWOBJYQNCULET-MRVPVSSYSA-N 259.283 -0.391 10 10 CBCE NC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1633002738 XYKVOMYHEZPZQT-SECBINFHSA-N 264.281 -0.026 10 10 CBCE CN(C)CCNC(=O)CCN1C(=O)CSC1=S 1865764832 CQVAIZVKAHRHAA-UHFFFAOYSA-N 275.399 -0.085 10 10 CBCE N[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2027475288 QYXCJGRWUROLPJ-ZETCQYMHSA-N 254.242 -0.832 10 10 CBCE Cn1ncc(S(=O)(=O)NCc2ccc(N)cc2)n1 2027824673 DOGDWIPAPMRKHR-UHFFFAOYSA-N 267.314 -0.124 10 10 CBCE C[C@@H](O)[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2068576519 JJCUZWUWHGSGLI-IYSWYEEDSA-N 257.242 -0.725 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CO 2081037370 XVAORMANIRKAFL-AGIUHOORSA-N 252.314 -0.644 10 10 CBCE NC(=O)C1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2132347988 BCYBVQDIJFNFQF-UHFFFAOYSA-N 266.253 -0.203 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N(C)CC(CO)CO)ccc21 2150418148 HJBXBGCJPXIURD-ZDUSSCGKSA-N 279.340 -0.064 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCC2(CO)CO)cc1 2194350767 AAAURKQJUJGFQY-LBPRGKRZSA-N 282.340 -0.562 10 10 CBCE CN(C)c1ccc(OC[C@@]2(O)CNC[C@@H]2O)cc1 2221878793 LXXHUCVSBGHQRV-STQMWFEESA-N 252.314 -0.173 10 10 CBCE O=C(NCc1n[nH]cc1C(=O)O)c1cc(O)nc(O)c1 2235331594 SLJWHTMLKVAVNF-UHFFFAOYSA-N 278.224 -0.156 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OC)cc1CO 2235970997 WOTNLAXELLXUAH-MGPQQGTHSA-N 283.324 -0.256 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)C[C@@H](CO)C1 2236629188 OFAWNFGSLDSYMS-DTORHVGOSA-N 282.296 -0.444 10 10 CBCE NC(=O)NC(=O)CN1CCN(c2ccc(N)cc2)CC1 57469977 MSPGBLTZJQKCEE-UHFFFAOYSA-N 277.328 -0.414 10 10 CBCE CN(C)c1ccc([C@H](N)C(=O)NC[C@H](O)CO)cc1 83495155 FKPGVVQZTVGZNS-RYUDHWBXSA-N 267.329 -0.778 10 10 CBCE O=C(Cn1ccc(O)nc1=O)NCc1cccc(O)c1O 1176565824 PARMBSMWRDLRQG-UHFFFAOYSA-N 291.263 -0.324 10 10 CBCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](CN)C1 1971551435 MEEANRULRCTROM-NSHDSACASA-N 279.340 -0.258 10 10 CBCE N[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2COC[C@@H]12 1973673007 OHVLFRNVDJBMLU-AXFHLTTASA-N 278.308 -0.175 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2080924726 DMPVYWPIRUHFFR-WOPDTQHZSA-N 257.261 -0.779 10 10 CBCE N[C@@]1(CO)CCCN(C(=O)c2cc(O)nc(O)c2)C1 2087258264 UFPUVMSUBUQJTK-LBPRGKRZSA-N 267.285 -0.581 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1Cc1ccccc1O 2136388583 QFUCRHXUPFBETH-GRYCIOLGSA-N 267.281 -0.227 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](N2CC(O)C2)C1 2158749870 YRTKXBUEMBSETD-JTQLQIEISA-N 278.308 -0.011 10 10 CBCE COC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(O)c(O)c1 2159006008 FZLPHABTGRRTNQ-ZETCQYMHSA-N 283.236 -0.156 10 10 CBCE Nc1ccc(OCCN2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2183626757 LAIIIZRDCIFAND-CHWSQXEVSA-N 280.324 -0.546 10 10 CBCE CC[C@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2184140183 YNOITDPOBZFIDN-NWDGAFQWSA-N 277.324 -0.080 10 10 CBCE CN[C@H]1CCOC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188912720 MEVNXEGDISAKRA-DTWKUNHWSA-N 282.296 -0.090 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H]2NC[C@H](O)[C@@H]2O)cc1 2201140363 HDUGLRHYIRCVBZ-XQQFMLRXSA-N 279.340 -0.938 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@H](O)[C@H]3CF)ccc2[C@H]1O 2205611974 MVFVNZJTUVDKLI-WRWGMCAJSA-N 282.271 -0.448 10 10 CBCE C[C@@H](NCC1(O)CS(=O)(=O)C1)c1c(O)cccc1O 2267899927 GDIRRPJTRPJTKI-MRVPVSSYSA-N 287.337 -0.092 10 10 CBCE CC(C)(CN)OCCNC(=O)c1cc(O)nc(O)c1 2278317211 NCBADDIRPBIRPO-UHFFFAOYSA-N 269.301 -0.024 10 10 CBCE O=C1Nc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc2[C@H]1O 2354474673 QCGDYPAUJMUPSJ-HQXRFNHTSA-N 276.292 -0.398 10 10 CBCE C[C@H](O)CNC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1 83497287 GTASJRVTFKIDAN-SDBXPKJASA-N 268.313 -0.145 10 10 CBCE CCOC(=O)[C@@H](N)C(=O)NCc1ccccc1O 228421448 HZOQJUCGYFRKRX-JTQLQIEISA-N 252.270 -0.101 10 10 CBCE O=C(NCC[C@@]1(O)CCOC1)c1cc(O)nc(O)c1 403294250 LJKLZRWMKSCFIF-GFCCVEGCSA-N 268.269 -0.236 10 10 CBCE O=C(NC[C@H]1C[C@@H]1C(=O)O)c1cc(O)nc(O)c1 715370116 RABRFJURNUXMFD-RQJHMYQMSA-N 252.226 -0.057 10 10 CBCE CN(C)C[C@@H](N)CNC(=O)c1ccc(O)c(O)c1 717339350 PRQKSMIPLWRJKU-VIFPVBQESA-N 253.302 -0.284 10 10 CBCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnn(C)n1 1447559179 AVMVGDRNAINFMB-SSDOTTSWSA-N 277.284 -0.018 10 10 CBCE O=C(NCc1c(O)cccc1O)[C@]1(O)CCOC1 1639292765 PVHJBCRZJBEKAL-LBPRGKRZSA-N 253.254 -0.135 10 10 CBCE NC(=O)C[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1642972761 FKMQCUJHEWLNDB-SNVBAGLBSA-N 294.307 -0.257 10 10 CBCE N[C@@H](C(=O)O)[C@H](O)c1ccc(N2CCOCC2)cc1 1951908302 VNLYWUVZWYEUIH-VXGBXAGGSA-N 266.297 -0.032 10 10 CBCE O=C(N[C@@]12CNC[C@H]1C2)c1cc(O)c(O)c(O)c1 2068624418 PESZXMQUBFTCGW-KRTXAFLBSA-N 250.254 -0.105 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCOC[C@@H]1N 2071694011 GMNVTXAWJNJOHQ-UWVGGRQHSA-N 250.302 -0.104 10 10 CBCE O=C(N[C@]1(CO)C[C@H](O)C1)c1ccc(O)c(O)c1 2076683309 NYOUTERCTIGBHH-LYWQIFSTSA-N 253.254 -0.287 10 10 CBCE C[C@]1(CF)[C@H]2CC[C@@]1(C(=O)N1CCNCC1)C(=O)C2=O 2078859092 HRGLCSDUXNPOFS-HERUPUMHSA-N 282.315 -0.058 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(O)CC1 2130477715 KIVNKQFPNCRKEG-VIFPVBQESA-N 266.297 -0.391 10 10 CBCE N[C@@H](CCCCNC(=O)c1cc(O)nc(O)c1)C(=O)O 2151572660 XMCDMKPRRMYYGK-QMMMGPOBSA-N 283.284 -0.195 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1[C@@H](O)CO 2179735346 FFLFEOBVZFWHPE-GWCFXTLKSA-N 281.308 -0.016 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)C[C@H](O)C2)cc1 2183269171 QUBXOWSCABVZME-AVGNSLFASA-N 282.340 -0.564 10 10 CBCE C[C@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1O 2184140296 JPSZBWBMKJZCRZ-CPCISQLKSA-N 278.312 -0.798 10 10 CBCE N[C@H](CS(=O)(=O)Nc1ccc(O)cc1)C(=O)O 2249429134 SSOOGLADQVKVDP-MRVPVSSYSA-N 260.271 -0.454 10 10 CBCE O=C(c1cccc(O)c1O)N1CC([C@@H](O)CO)C1 2315159147 NLGIXYDJDZVDJC-JTQLQIEISA-N 253.254 -0.477 10 10 CBCE N[C@H](c1nnc([C@@H](O)CO)o1)c1cccc(F)c1O 83512424 NTNRGUNKCLCATQ-YUMQZZPRSA-N 269.232 -0.012 10 10 CBCE CNC(=O)[C@@H]1COCCN1c1cc2c(cc1N)OCCO2 159248367 AMQVHAADCHWBET-NSHDSACASA-N 293.323 -0.009 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](O)[C@H](CO)C1 317498054 SOIPWVGTWGZXHT-TVYUQYBPSA-N 277.324 -0.296 10 10 CBCE O=C(NCCn1ncnn1)[C@@H]1CNc2ccccc2N1 379434989 GUJYLEWMVAJJDS-NSHDSACASA-N 273.300 -0.305 10 10 CBCE CN(CCc1nn[nH]n1)C(=O)c1cccc(O)c1O 707522387 HEABNJIDRUAPPD-UHFFFAOYSA-N 263.257 -0.074 10 10 CBCE CN(CCO)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329768190 SKSRDIVSKQGFPM-UHFFFAOYSA-N 264.281 -0.315 10 10 CBCE N=C(N)NCCC[C@@H](N)C(=O)Nc1ccc(N)cc1 1866119238 IIFURVIGCSBWHH-SNVBAGLBSA-N 264.333 -0.202 10 10 CBCE O=S(=O)(Nc1ccc(O)c(F)c1)N1CC(O)C1 1914117095 KMMZEOIWYXMJMD-UHFFFAOYSA-N 262.262 -0.136 10 10 CBCE O=C(O)[C@H]1C(=O)NCC[C@@H]1c1cc(O)nc(O)c1 1952608993 UCONFPLLMPDLIE-HZGVNTEJSA-N 252.226 -0.203 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 2043188861 WTSFPOFKOHCINO-TXEJJXNPSA-N 250.298 -0.235 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2ccc3c(c2)CCO3)C1 2104270647 AEXGNPZPHAUMGD-RYUDHWBXSA-N 283.349 -0.131 10 10 CBCE Cc1cccc(CNC(=O)[C@H](N)CCC(N)=O)c1O 2141249725 XRVBMXPECUQNIS-SNVBAGLBSA-N 265.313 -0.090 10 10 CBCE COCC1(CNC(=O)Cc2ccc(O)c(O)c2)CNC1 2178023251 FCSOMXPWYOQKSD-UHFFFAOYSA-N 280.324 -0.008 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1CS2(=O)=O 2188867700 FLICLPILCFDRCZ-JGVFFNPUSA-N 299.304 -0.185 10 10 CBCE CO[C@@H]1CNCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926713 AWEPMQIXPRNPEI-GZMMTYOYSA-N 282.296 -0.090 10 10 CBCE O=C(NC[C@@]12CNC[C@@H]1CCO2)c1cc(O)nc(O)c1 2237809654 BTWLHXQVWJPFJZ-ZANVPECISA-N 279.296 -0.399 10 10 CBCE C[C@@H](O)CN(CCN)C(=O)Cc1ccc(N)cc1 2257640521 MFCJHHNRFYYXBW-SNVBAGLBSA-N 251.330 -0.021 10 10 CBCE Nc1ccc(CC(=O)NCc2cn(CC(=O)O)nn2)cc1 167291382 IUIINKQQEPZRCW-UHFFFAOYSA-N 289.295 -0.196 10 10 CBCE NC(=O)Cn1ccc(NC(=O)Cc2ccc(O)c(O)c2)n1 1542229015 DPYIDQFCIOUNNB-UHFFFAOYSA-N 290.279 -0.039 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COCC[C@@H]2N)cc1 1876469058 XNOSTLJOZLXGQT-NWDGAFQWSA-N 285.369 -0.196 10 10 CBCE O=C(N[C@H]1COC[C@H]1CO)c1cccc(O)c1O 2029857486 LVBWBXFUBJLKPV-APPZFPTMSA-N 253.254 -0.165 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)C[C@@H](O)C1 2043182039 NBWHTHITPWQXQP-RKDXNWHRSA-N 253.254 -0.335 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2OC[C@@H](CO)[C@@H]2C1 2178148528 UWJAXMRCHSIZKD-UTLUCORTSA-N 280.280 -0.428 10 10 CBCE Cc1cccc(CNC(=O)[C@H](N)C2CS(=O)(=O)C2)c1O 2204621883 HASINRPQWIOXFA-LLVKDONJSA-N 298.364 -0.311 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)OCCO3)C[C@@H](O)[C@H]1O 2289510359 GNVAXLXBXFFZJL-PXWWUCIGSA-N 281.308 -0.392 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2329325509 GHGXOTZFOOKJPU-AGNRWKBWSA-N 266.253 -0.941 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC([C@@H](O)CO)C1 2336774340 QPKBQTYTYJHEEZ-LBPRGKRZSA-N 267.281 -0.548 10 10 CBCE [N-]=[N+]=NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 17379415 SKWSYTVBPHWKHX-UHTZMRCNSA-N 292.259 -0.662 10 10 CBCE CC[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 97319355 JFPJOKGVDKYGJS-CMPLNLGQSA-N 288.307 -0.120 10 10 CBCE NC(=O)CN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 171633076 VRSJRCLEICWHMX-UHFFFAOYSA-N 294.311 -0.097 10 10 CBCE O=C(c1cccc(O)c1O)N1CCO[C@@H]2CNC[C@@H]21 686540525 CDMQSBFFRRDOJZ-GXSJLCMTSA-N 264.281 -0.089 10 10 CBCE CN1CCN(C(=O)c2cccc(O)c2O)C[C@H]1CO 687591943 RRBWZQIZQCTZLJ-VIFPVBQESA-N 266.297 -0.154 10 10 CBCE CN(C)C[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 702230614 ZNDRJSRNYQNUEV-QMMMGPOBSA-N 268.269 -0.158 10 10 CBCE CN(C)C[C@H](O)Cn1ccc2c(c1=O)CNCC2 2033379523 RCTFAOMRZIEHPM-NSHDSACASA-N 251.330 -0.584 10 10 CBCE C[C@@H](NCCNS(N)(=O)=O)c1ccc(F)cc1O 2039801224 KKBBJAPWCCDLSA-SSDOTTSWSA-N 277.321 -0.025 10 10 CBCE Nc1ccc(O)c(CN2CCOC[C@H]2[C@H](O)CO)c1 2090134792 AGDXDJHMTOVCEB-WCQYABFASA-N 268.313 -0.472 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1Cc1ccc(O)c(O)c1 2136096030 NNDGWBUJPQJVBX-GARJFASQSA-N 269.253 -0.912 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)[C@@H]1CNc2ccccc2N1 2165083589 RJBDATRPDHHPJU-MHNYQROPSA-N 277.324 -0.107 10 10 CBCE CO[C@@H]1CN[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188918509 FRGNACJBGLWAHC-BDAKNGLRSA-N 282.296 -0.090 10 10 CBCE CS(=O)(=O)[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(N)cc1 2192660761 VYROXRYJLVRRHS-QWRGUYRKSA-N 298.368 -0.225 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@H]2[C@@H](O)CO)cc1 2258329874 ZTTSMONZJRFYAR-NEPJUHHUSA-N 250.298 -0.235 10 10 CBCE Nc1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c1 2273791135 ISTGNVZPZGUWAP-ICCXJUOJSA-N 268.313 -0.880 10 10 CBCE N=c1nnc(OC[C@H]2C[C@@H]3CCCC[C@@H]3N2)n[nH]1 2312627617 BJELJOSXTBXOJY-YIZRAAEISA-N 250.306 -0.021 10 10 CBCE Cc1cccc(O)c1CN1C[C@@H](O)[C@@H](O)[C@H]1C(=O)O 2332872478 UPCOINPILUQOOD-GRYCIOLGSA-N 267.281 -0.309 10 10 CBCE C[C@H](O)[C@@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341151799 HFALUYNRUCSXMI-JVXZTZIISA-N 266.297 -0.309 10 10 CBCE CCCNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459920 YWXPNVIBURHWAY-JTQLQIEISA-N 295.339 -0.390 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCC(=O)NC2)cc1 111015145 WHVJIVJRYOTNND-LLVKDONJSA-N 283.353 -0.033 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@](O)(CO)C3)cc21 313672381 AXJHJCFXNPPNSF-OCCSQVGLSA-N 277.324 -0.404 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)c1nnnn1C 382433830 MXTFWAJGWMIJOJ-UHFFFAOYSA-N 262.273 -0.166 10 10 CBCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1CO 687607945 LWYGROVLVGVMDF-ZDUSSCGKSA-N 299.396 -0.293 10 10 CBCE CC1(C)OC[C@@H](NC(=O)c2cc(O)nc(O)c2)[C@@H]1O 1910829610 SPCAHGCSZHAIMX-XCBNKYQSSA-N 268.269 -0.239 10 10 CBCE COCc1ncc([C@H](NCCN=[N+]=[N-])C(N)=O)[nH]1 2078634520 WBWHVJKDGHRYRU-QMMMGPOBSA-N 253.266 -0.018 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@@H]2COC[C@@H]21 2102177817 OKUWDSQQSSPAGW-VGMNWLOBSA-N 266.253 -0.676 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2104427783 YEYQEGQDTZTNBW-YXLHZUIPSA-N 265.265 -0.336 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2160714612 FYEJNLNZKAFQLV-GDICPINPSA-N 275.308 -0.431 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@@H](CO)C1 2188867883 ISKVYSRKYZWHJF-MRVPVSSYSA-N 283.280 -0.116 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2CNC[C@@H]12)c1cc(O)c(O)c(O)c1 2188922732 HUMLASNDBYVKKQ-VAOFZXAKSA-N 280.280 -0.480 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(=O)O 2225793076 SIWZMPAIMIUAQS-RQJHMYQMSA-N 290.301 -0.500 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)OCCO2 2226782406 YIKSVVKDUBGEPX-NRUUGDAUSA-N 267.281 -0.640 10 10 CBCE NCc1ccc(N2CC3(CNC(=O)CO3)C2)cc1F 2274087965 HVWZRTGLSJCAOO-UHFFFAOYSA-N 265.288 -0.010 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)[C@H]4COC[C@H]43)ccc2[C@@H]1O 2354366092 AAPSRHAFXHFAHT-SQNXGDPESA-N 276.292 -0.132 10 10 CBCE CNC(=O)[C@H]1COCCN1c1cc2c(cc1N)OCCO2 159248517 AMQVHAADCHWBET-LLVKDONJSA-N 293.323 -0.009 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](CO)C1 167719470 BMZIEKPEFKZUTB-QWRGUYRKSA-N 280.324 -0.192 10 10 CBCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)n1c(=O)[nH][nH]c1=O 230387171 YYUAJMNGLUUIOP-ZCFIWIBFSA-N 281.224 -0.856 10 10 CBCE CC(=O)C(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1 808494544 OXINVKKEUJMIPC-UHFFFAOYSA-N 285.277 -0.351 10 10 CBCE CN1CCO[C@@H](C(=O)NCc2cc(O)ccc2O)C1=O 1153885141 LNJCTGSNAWQPJX-NSHDSACASA-N 280.280 -0.429 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)[C@H](CO)C1 1451598259 DWOSOALVAFQLLT-WDEREUQCSA-N 281.308 -0.158 10 10 CBCE Nc1ccc(OCC(=O)N[C@]2(CO)C[C@H](O)C2)cc1 1889309927 PHEBGLIIAVUCNU-GSJFWJNXSA-N 266.297 -0.350 10 10 CBCE NC[C@H](CO)C(=O)NCCc1ccc(O)c(O)c1 2067758777 WLQNAGKBQKIYAZ-SECBINFHSA-N 254.286 -0.676 10 10 CBCE CO[C@H]1CNC[C@@H]1Nc1c(N)cccc1C(N)=O 2071715680 DKJOTWHMTDRBOZ-UWVGGRQHSA-N 250.302 -0.234 10 10 CBCE CN(C)C[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2091764358 QGCGZCDPEGBKNR-SNVBAGLBSA-N 267.329 -0.355 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@H](O)C3)ccc21 2132134371 GNCFNOAHDFZUOU-TUAOUCFPSA-N 263.297 -0.430 10 10 CBCE O=S1(=O)C[C@H]2NCCN(Cc3ccc(O)cc3O)[C@@H]2C1 2143719809 MYCJOZKRTIGQPO-VXGBXAGGSA-N 298.364 -0.331 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](N)C[C@@H](O)C2)cc1 2191654460 RDBIQDSPDJTOTH-NWDGAFQWSA-N 279.340 -0.042 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4N)C[C@H]21 2201284001 JKQIUDGSUMYMOJ-RBLKWDMZSA-N 272.308 -0.194 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2COC)cc1 2225702982 UCPPYFPBHFIRPK-IHRRRGAJSA-N 266.341 -0.037 10 10 CBCE CN1CC(=O)N(CC(=O)NCc2cc(O)ccc2O)C1=O 1176747820 BTAVVTOIBWQHPN-UHFFFAOYSA-N 293.279 -0.392 10 10 CBCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3COCCO3)c2n1 2064921976 NILAMLCIGODEIU-VIFPVBQESA-N 292.295 -0.111 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2081009665 PTRUHHNAZRIZEB-SRVKXCTJSA-N 256.277 -0.813 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](CO)C[C@@H]1CO 2089869608 FFMQTZBBHPOUSW-PSASIEDQSA-N 267.281 -0.087 10 10 CBCE O=C(N[C@@H]1CO[C@H]2CNC[C@@H]12)c1ccc(O)c(O)c1 2121654023 OWJPGKVIDSUKQM-SBMIAAHKSA-N 264.281 -0.186 10 10 CBCE N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@H]1CO 2122394464 WYCHTNIFFCWYJH-UWVGGRQHSA-N 266.297 -0.121 10 10 CBCE C[C@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2127699362 JGVAEEKUCDNKDL-KWQFWETISA-N 262.313 -0.504 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2127710097 PJHMVMAUKUWSAO-LLVKDONJSA-N 262.313 -0.804 10 10 CBCE Cc1cccc(CN2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)c1O 2166791368 RVXMHFSKLZPUGB-QWRGUYRKSA-N 275.308 -0.501 10 10 CBCE CN(C)c1ncc2nc(C3=C[C@@H](O)[C@H](N)C3)n(C)c2n1 2188019378 HCYIXUXJPKEBRU-PSASIEDQSA-N 274.328 -0.095 10 10 CBCE NC[C@@H](O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 2191895072 CDMZYNBMEWBELL-LLVKDONJSA-N 275.312 -0.496 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](O)C1 61712299 BQFSXHJXVODNHW-ZJUUUORDSA-N 266.297 -0.439 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCNC(=O)CC1 62100192 PAWWLCBOLSDPMF-JTQLQIEISA-N 293.323 -0.684 10 10 CBCE CS(=O)(=O)CC(=O)N1CCN(c2ccc(N)cc2)CC1 70127350 NNMLYLNGTJGTLN-UHFFFAOYSA-N 297.380 -0.038 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)[C@@H](CO)C1 315995446 AQEBSPGYCFRRBV-XCBNKYQSSA-N 253.254 -0.477 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COC[C@H]1CO 2090318073 MPGGVMLOXDBSTD-ZJUUUORDSA-N 267.281 -0.236 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2COC[C@H]2O)cc1 2097825469 WIUCRCNKSGPOMH-ZYHUDNBSSA-N 286.353 -0.305 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@H](O)C2)cc1 2105109851 CYADLCICJAIQJL-RYUDHWBXSA-N 286.353 -0.474 10 10 CBCE CN1CCNC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188924679 QGWKGLDVUPFUPT-VIFPVBQESA-N 281.312 -0.563 10 10 CBCE COc1ccc(N2CC[C@](O)(C(N)=O)C2)c(CN)c1 2227671540 AFZZRRBOLNDHPE-CYBMUJFWSA-N 265.313 -0.420 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC(O)(CCO)C2)cc1 2286172752 PBVZFCDIDIMOPI-GFCCVEGCSA-N 282.340 -0.562 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC([C@@H](O)CO)C3)ccc21 2336781440 VKEWGWMAVXTQSR-NWDGAFQWSA-N 263.297 -0.572 10 10 CBCE NC(=O)CN(CCN1CCOCC1)Cc1ccc(N)cc1 35366624 KNYBQIGFJNYZJS-UHFFFAOYSA-N 292.383 -0.112 10 10 CBCE Cc1ccc(CNC(=O)[C@@H](N)CC(N)=O)c(O)c1 83384671 VUZKYVAMKBFUNI-VIFPVBQESA-N 251.286 -0.480 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCOc1ccc(N)cc1 103475905 OKKKTHQCXNRGDH-PWSUYJOCSA-N 293.323 -0.515 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCS(=O)(=O)C1 130019221 PKIWIDTWJJNEML-SSDOTTSWSA-N 269.326 -0.033 10 10 CBCE NCC1(C(=O)N[C@H](Cc2ccc(O)c(O)c2)C(=O)O)CC1 167136082 HLCJIUZGLOHIIU-SECBINFHSA-N 294.307 -0.051 10 10 CBCE CO[C@@H](CNC(=O)c1ccc(O)c(O)c1)C(=O)O 227274310 IIAMXIIQHUVIGJ-VIFPVBQESA-N 255.226 -0.073 10 10 CBCE NC(=O)[C@H](O)CNC(=O)CCOc1ccc(N)cc1 228478117 SLRLXDRIKFRBBW-SNVBAGLBSA-N 267.285 -1.000 10 10 CBCE C[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C[C@@H]1O 388136110 ZRMGSNGXCPGEBT-FWDPORAESA-N 280.324 -0.193 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CNC(=O)C2)cc1 398314315 FMRXFXJQGADRHW-JTQLQIEISA-N 283.353 -0.176 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN2C[C@H](O)C[C@H]2C1 405302309 JDFFDQQZGBCEQB-VHSXEESVSA-N 278.308 -0.011 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1COC[C@@H]1N 708132550 YWKRFVCHZDONHU-DTWKUNHWSA-N 252.270 -0.104 10 10 CBCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)N2CC[C@H](O)C2)C1 1912155352 KTJLBFWPOGREER-BDAKNGLRSA-N 275.334 -0.070 10 10 CBCE [N-]=[N+]=NCCCN1CCS(=O)(=O)CC12CNC2 2012024575 MDHSZUGEOQFHLY-UHFFFAOYSA-N 259.335 -0.241 10 10 CBCE COc1ccc(N2CCNC[C@@H]2C(N)=O)c(OC)c1 2106324783 BRMYRCDGEIFRIZ-LLVKDONJSA-N 265.313 -0.033 10 10 CBCE CCOc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1O 2165120912 ILPSUVLTQJDPHE-RDBQEKCUSA-N 283.324 -0.265 10 10 CBCE O[C@H]1CCc2cc(N3CC4(C3)OC[C@H](O)[C@@H]4O)ccc21 2184732058 PSEGFHVYDUSQHU-IHRRRGAJSA-N 277.320 -0.023 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@](N)(C(=O)O)C2)cc1 2191729128 AXKMWNFAOZVKEY-ZDUSSCGKSA-N 279.296 -0.338 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1cc(F)cc(F)c1O 2200843337 HUCQMMYHBORPQY-YWVKMMECSA-N 289.234 -0.339 10 10 CBCE Nc1ccc(CCCN2CC[C@](O)(CO)[C@@H](O)C2)cc1 2234101266 QJIBHJNXZWWSEO-GJZGRUSLSA-N 280.368 -0.009 10 10 CBCE COc1cccc(O)c1CNCC1(O)CS(=O)(=O)C1 2267898439 AJTLJPVKJJGJAV-UHFFFAOYSA-N 287.337 -0.350 10 10 CBCE Cc1cc(N2CCNC(=O)[C@@H]2C(N)=O)ccc1[C@H](C)O 2285163620 YTTOUTFNGQCNFY-CABZTGNLSA-N 277.324 -0.162 10 10 CBCE N[C@@H](CCC(=O)NCc1cc(O)ccc1O)C(=O)O 83496866 UEHMTFDFVIEGDH-VIFPVBQESA-N 268.269 -0.094 10 10 CBCE COc1ccc(O)c(CNCCOCC(N)=O)c1 230043927 FOMNQWVVJLBMLF-UHFFFAOYSA-N 254.286 -0.008 10 10 CBCE NC(=O)[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1C(N)=O 693452514 FVSVWLHASHHGPW-UWVGGRQHSA-N 281.287 -0.450 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(C(N)=O)C3)cc21 723167247 JKLVLZUJJNCKHT-LLVKDONJSA-N 260.297 -0.416 10 10 CBCE Nc1nnc(CCNC(=O)Cc2ccc(O)c(O)c2)o1 1447796142 WQELJPTZBOEAIH-UHFFFAOYSA-N 278.268 -0.036 10 10 CBCE COCCNC(=O)c1nnn(-c2ccc(N)cc2)n1 1857879045 SHAZXZXMUKZMGS-UHFFFAOYSA-N 262.273 -0.379 10 10 CBCE O=S1(=O)C[C@H](c2c(O)cc(O)cc2O)NCCN1 1952456899 OGMFJLZMOFOMEA-SSDOTTSWSA-N 274.298 -0.633 10 10 CBCE OCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2063745778 HBCAVMQVDZIPLH-NWDGAFQWSA-N 251.282 -0.510 10 10 CBCE C[C@H](CC(N)=O)N(CC(N)=O)Cc1ccc(N)cc1 2094843929 VVIFTSDVVOULCX-SECBINFHSA-N 264.329 -0.180 10 10 CBCE Cn1cc([C@H](N)C(=O)NCc2ccccc2O)nn1 2110400152 QEDREBFXLBXQSR-NSHDSACASA-N 261.285 -0.163 10 10 CBCE COc1cccc(O)c1CNCC(CO)(CO)CO 2123239269 OIYSTPVUFUQXFG-UHFFFAOYSA-N 271.313 -0.546 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](CO)C[C@H]2CO)cc1 2146079522 JEJLMMMUOWMGIX-GWCFXTLKSA-N 279.340 -0.118 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@@H](O)[C@H](O)[C@H]1C2 2173342548 CLMQLGHZQSYKNT-WOUKDFQISA-N 280.280 -0.551 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@H](O)C3)c(F)cc2[C@H]1O 2188679664 KCWKKNVRQUFZEP-QJPTWQEYSA-N 282.271 -0.257 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CCN1Cc1ccc(O)c(O)c1 2201091320 NMCDDVPABUMRFN-ZMLRMANQSA-N 283.280 -0.522 10 10 CBCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 2225797226 DRQXCBNIDZECAN-VQVTYTSYSA-N 266.261 -0.068 10 10 CBCE OCC1(O)CC(NCc2ccc(O)c(O)c2O)C1 2256976328 CCOHEFMEKSMANG-UHFFFAOYSA-N 255.270 -0.221 10 10 CBCE CNC(=O)CN(C)CC(=O)Nc1ccc(N)cc1 37269760 SMBYXSUBWGZAMX-UHFFFAOYSA-N 250.302 -0.115 10 10 CBCE NC[C@@H](O)CN1CCN(c2ccc3c(c2)OCO3)CC1 71630303 KJKLKLJPPDWOAY-GFCCVEGCSA-N 279.340 -0.143 10 10 CBCE N[C@H](c1nnc([C@@H](O)CO)o1)c1ccccc1O 83384314 VTKSDFGGQIONAL-IUCAKERBSA-N 251.242 -0.151 10 10 CBCE CNC(=O)[C@H]1CNCCN1Cc1cccc(OC)c1O 89082899 JIMUJWSDYHFLKO-LLVKDONJSA-N 279.340 -0.079 10 10 CBCE C[C@]1(CO)C[C@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 704639105 FGDUDWMUETUZQA-MRCXROJRSA-N 277.324 -0.040 10 10 CBCE CN(Cc1nn[nH]n1)C(=O)c1cc(O)nc(O)c1 706347587 SQLCCPLLSFEKNC-UHFFFAOYSA-N 250.218 -0.722 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2CNCC[C@@H]2CO)cc1 1971918223 DXZKKFBCPTVYQZ-YPMHNXCESA-N 263.341 -0.102 10 10 CBCE OCc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1 2029661412 BBIKIULHISFTAB-QWHCGFSZSA-N 253.298 -0.263 10 10 CBCE O=S1(=O)C[C@@H](NCc2cc(F)ccc2O)[C@@H](O)C1 2057722235 ZAOKQBGFNUUXSV-KOLCDFICSA-N 275.301 -0.221 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1COC1 2097859558 YUAHNBPFJCHCDG-JTQLQIEISA-N 266.297 -0.270 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2104840793 MEFZQYDDZKVLHN-MBTKJCJQSA-N 287.345 -0.435 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC(O)(CO)C2)cc1 2115307867 FISSMNAFJGXLRC-LLVKDONJSA-N 268.313 -0.953 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2cc(F)cc(F)c2O)C1 2121363555 IQFMXCYMBVGBIL-UWVGGRQHSA-N 293.291 -0.082 10 10 CBCE Nc1ccc(CN2CCN(C[C@H](O)CO)CC2)cc1 2121551753 UOOUEESAFMGQPM-AWEZNQCLSA-N 265.357 -0.260 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1cc(F)ccc1O 2136095687 LPABPERYEDBISA-DCAQKATOSA-N 271.244 -0.478 10 10 CBCE C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N1CC(N)C1 2188303785 GAAWMSFAHJYLDC-VIFPVBQESA-N 279.340 -0.212 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCNCC1 40460100 SUPRUVSDVOBIKL-NSHDSACASA-N 279.340 -0.211 10 10 CBCE CN1CCN(C(=O)c2cccc(O)c2O)[C@H](CN)C1 126711197 UBCCJVDXXVVRFI-SECBINFHSA-N 265.313 -0.187 10 10 CBCE COC(=O)CC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 168748005 MOCKBBXXLPDVRO-SSDOTTSWSA-N 298.251 -0.371 10 10 CBCE Nc1ccc(CC(=O)NC[C@@H](O)CC(=O)O)cc1 398437872 YGMRKVRPOCYNCU-JTQLQIEISA-N 252.270 -0.237 10 10 CBCE CC(=O)C(=O)COc1ccc(S(N)(=O)=O)cc1 808023621 QRFGXTJGLVGTON-UHFFFAOYSA-N 257.267 -0.129 10 10 CBCE CO[C@@]1([C@@H](NCCCN=[N+]=[N-])C(N)=O)CCOC1 1912170378 WHMUOSQLQKJBST-WPRPVWTQSA-N 257.294 -0.064 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCn2cnnn2)cc1 2090423322 OYSNJTBKGNQYON-UHFFFAOYSA-N 282.329 -0.625 10 10 CBCE C[C@H](O)CNCCNC(=O)c1cc(O)c(O)c(O)c1 2132400563 NKHCLGUEPBJKLB-ZETCQYMHSA-N 270.285 -0.496 10 10 CBCE CN1C[C@@H](C(=O)O)N(Cc2ccc(O)cc2O)CC1=O 2143807955 MPYAJMONWJMYGF-JTQLQIEISA-N 280.280 -0.175 10 10 CBCE C[C@@H]1CN[C@H](C(=O)NCCc2ccc(O)c(O)c2)CN1 2148011030 XBYQJXRHLBLWPT-KOLCDFICSA-N 279.340 -0.294 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CO[C@H]2CNC[C@H]12 2178140664 SSFJUUXUGYLKFD-BREBYQMCSA-N 278.308 -0.257 10 10 CBCE N[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CO 2188924911 RPEHTJRDNQESLQ-DTWKUNHWSA-N 282.296 -0.415 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@@H](N)[C@H](O)C2)cc1 2357174182 QPHSPXJQYCSGAK-CYZMBNFOSA-N 299.396 -0.214 10 10 CBCE CN(CC(N)=O)C(=O)CCOc1ccc(N)cc1 40303168 IHCNKQOAAAHWGP-UHFFFAOYSA-N 251.286 -0.019 10 10 CBCE CN1CCO[C@H](CN(CC(N)=O)Cc2ccc(N)cc2)C1 92058428 YTUHOLMSXSSRCL-AWEZNQCLSA-N 292.383 -0.113 10 10 CBCE C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 110666523 AEQCALUHSAOHIX-WPRPVWTQSA-N 293.323 -0.686 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 316010214 ABOLSWKFPXLRAA-CMPLNLGQSA-N 250.298 -0.377 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 707269035 ASBDGDFQYZVGAO-LLVKDONJSA-N 299.352 -0.463 10 10 CBCE CNS(=O)(=O)c1ccc(C(=O)OCC(=O)C(C)=O)o1 808502898 AELRQNUJJFMRMD-UHFFFAOYSA-N 289.265 -0.497 10 10 CBCE CN(C)c1ccc(CN2CCN(CC(N)=O)C(=O)C2)cc1 839168580 DGLHCPHQAFGDOU-UHFFFAOYSA-N 290.367 -0.118 10 10 CBCE COC(=O)c1cnn(CC(=O)OCC(=O)C(C)=O)c1 859974064 DPVLLUPCEFBGIB-UHFFFAOYSA-N 268.225 -0.629 10 10 CBCE NC(=O)C1=NO[C@H](CNC(=O)NCc2ccccc2O)C1 1564741357 URIDKHPRHPYZCO-VIFPVBQESA-N 292.295 -0.178 10 10 CBCE COc1ccc(N(C)C[C@]2(O)CNC[C@H]2O)cc1 2039437055 NBOZPHDOXZKKEV-CHWSQXEVSA-N 252.314 -0.173 10 10 CBCE Nc1ccc(O)c(CN2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c1 2042550115 CKJUBMVWXYLHPY-MWKLQFHZSA-N 250.298 -0.100 10 10 CBCE Nc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1 2071647715 FTDMHHRWZJOBKE-NWDGAFQWSA-N 267.354 -0.156 10 10 CBCE NC[C@]1(O)CCCN(C(=O)c2cc(O)nc(O)c2)C1 2101309708 FCURCPARUOQQSP-GFCCVEGCSA-N 267.285 -0.581 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2104422839 JPEUEGCYIHEGCP-IWXIMVSXSA-N 265.265 -0.336 10 10 CBCE COc1ccc(O)c(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1 2108832128 OHXIBHPSHMAUQZ-LPTSXCQYSA-N 269.297 -0.655 10 10 CBCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)N1CC(O)C1 2118186097 HWZNDLRKEAMUEQ-UHFFFAOYSA-N 289.269 -0.366 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 2144027313 WHVMITRDHXSWSH-CYBMUJFWSA-N 280.280 -0.911 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(OCCO)C3)cc21 2152289197 XVVXNVVETFKJHJ-ZDUSSCGKSA-N 277.324 -0.140 10 10 CBCE Nc1ccc(CCC(=O)NCC(CO)(CO)CO)cc1 2179806713 QKSZJMMLWYFXBE-UHFFFAOYSA-N 282.340 -0.719 10 10 CBCE CC1(C)[C@@H](O)[C@H](O)CN1C(=O)COc1ccc(N)cc1 2181206057 HBGDXTHAGQKGHU-YPMHNXCESA-N 280.324 -0.010 10 10 CBCE C[C@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(F)c1 2184137133 BBKGRCWKDHZARU-WRWORJQWSA-N 280.303 -0.365 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CO[C@@H]3CNC[C@@H]23)cc1 2191644993 MNSIZDHDLVCULT-YNEHKIRRSA-N 297.380 -0.325 10 10 CBCE C[C@H](c1c(O)cccc1O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)O 2200865266 ROMMCYBACBZUSO-JLKXSGKNSA-N 283.280 -0.351 10 10 CBCE C[C@H](O)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2201000805 AFCLXLVJPRULII-BGTRIHLQSA-N 289.278 -0.079 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1CCOc1ccc(N)cc1 2234076785 WYSOEKDDIQLPIR-HZSPNIEDSA-N 282.340 -0.300 10 10 CBCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332919657 GASPSFPGRZZQPI-VKKKGTNTSA-N 266.341 -0.130 10 10 CBCE Nc1ccc(CCC(=O)NCCCS(N)(=O)=O)cc1 45063768 PWRRFQRZUIJWNO-UHFFFAOYSA-N 285.369 -0.004 10 10 CBCE NC[C@@H]1CN(c2ccc3c(c2)OCCO3)CC(=O)N1 216976323 LAYVWXCRUVCQDZ-SECBINFHSA-N 263.297 -0.279 10 10 CBCE C[C@H](C(=O)NCc1ccccc1O)N1CCNCC1=O 705708960 AMUJIQOAXCMXTH-SNVBAGLBSA-N 277.324 -0.171 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC(CO)(CO)C2)cc1 721428015 AAPFVHIJUOSRNB-UHFFFAOYSA-N 286.353 -0.615 10 10 CBCE NS(=O)(=O)c1n[nH]cc1C(=O)NCc1ccccc1O 1630363618 WFEFLSAYQLMCLG-UHFFFAOYSA-N 296.308 -0.307 10 10 CBCE O=C1N[C@@H](C(=O)NCc2ccc(O)c(O)c2)CO1 1635959250 GWMANVXGUDUCAY-SSDOTTSWSA-N 252.226 -0.178 10 10 CBCE [N-]=[N+]=NCCCCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1912165031 FFYKXNFQHRLJDG-HTQZYQBOSA-N 254.294 -0.405 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2081037581 ZMMDXDJTTIVVDR-WRSRJMLGSA-N 252.314 -0.391 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)[C@H]2COC[C@H]21 2102191949 PBTUZHAZMTZLPZ-NGZCFLSTSA-N 265.265 -0.071 10 10 CBCE C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1O)c1cc(O)ccc1O 2121364776 QLHYKRGNESEUMH-KOLSJAJHSA-N 287.337 -0.094 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)c1 2121476167 TZGPLBPTHAJDAS-RFHZTLPTSA-N 267.325 -0.107 10 10 CBCE OC[C@@H]1C[C@H](NCc2cc(F)ccc2O)[C@H](O)[C@H]1O 2121476947 YJJMYYZMGCKWGM-JBSCMGISSA-N 271.288 -0.277 10 10 CBCE N[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1CO 2122389425 DTZHLLMJIVHUQN-WPRPVWTQSA-N 266.297 -0.121 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2NCCO[C@@H]2C1 2153998812 WRJIMOGORDCWDB-ZWNOBZJWSA-N 278.308 -0.161 10 10 CBCE COC1(CO)CN(c2cc3c(cc2N)OCC(=O)N3)C1 2157304334 QOTOUXGPUDRSSN-UHFFFAOYSA-N 279.296 -0.203 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)c(F)cc2[C@H]1O 2161395226 ZANJKAMFQWJERJ-KEHGIVTQSA-N 282.271 -0.257 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O)c1cc(O)nc(O)c1 2166413333 HJMIFTMLQIBIOZ-CGIWTFGSSA-N 280.280 -0.647 10 10 CBCE Cc1[nH][nH]c(=NC(=O)c2cc(O)nc(O)c2)c1C(=O)O 2174052188 VMTJGOVHJFIJCT-UHFFFAOYSA-N 278.224 -0.103 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@@H]1C(=O)O)OCCO2 2191556690 VFKAJDGDXQCLCL-SNVBAGLBSA-N 279.296 -0.097 10 10 CBCE OC[C@]1(O)CCN(c2ccc3c(c2)CCO3)C[C@H]1O 2226749912 UGTBPEZIDODLFO-ZIAGYGMSSA-N 265.309 -0.084 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CO[C@H]3CNC[C@H]3O2)C1 2265041343 JHALNWYHYGLDAZ-TZAKJNRTSA-N 268.313 -0.992 10 10 CBCE C[C@H](O)CN(CCN)C(=O)c1cc(O)c(O)c(O)c1 2269883679 MTYXNSJMIVVSLN-ZETCQYMHSA-N 270.285 -0.415 10 10 CBCE N[C@@H]1C[C@@]2(NC(=O)c3cc(O)nc(O)c3)CO[C@@H]1C2 2334239581 RIGNITONFLRCEL-RWYTXXIDSA-N 265.269 -0.519 10 10 CBCE CNCc1nnc([C@@H](N)c2ccc(O)c(O)c2O)o1 83483411 PGYVUKWFFPRTLP-QMMMGPOBSA-N 266.257 -0.046 10 10 CBCE COc1ccc(CNC(=O)[C@@H](N)CC(N)=O)c(O)c1 83494609 GFYWPDSILJSUNA-VIFPVBQESA-N 267.285 -0.780 10 10 CBCE NC(=O)[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 383561274 KBFOYQYBQKDBBF-GFCCVEGCSA-N 281.268 -0.486 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2CCn3nnnc3C2)cc1 1875666366 JLMMIBSWQRCRQS-NSHDSACASA-N 272.312 -0.071 10 10 CBCE CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1912183629 RRKIXGDLSNTALG-QMMMGPOBSA-N 273.318 -0.069 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)C1CS(=O)(=O)C1 1912196107 SLJUQNXKQLHOMX-ZETCQYMHSA-N 294.358 -0.112 10 10 CBCE CN(CCNC(=O)c1cc(O)nc(O)c1)CC(=O)O 2096648913 AIRVZVMSIBFGEL-UHFFFAOYSA-N 269.257 -0.761 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2105077066 YASYBRRJNVDNSS-SBMIAAHKSA-N 263.297 -0.430 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCCCC1(CO)CO 2146119675 AQZOBNKHQJSMJS-UHFFFAOYSA-N 282.296 -0.158 10 10 CBCE O=C(N[C@@H](C(=O)O)[C@@H]1CCCO1)c1cc(O)nc(O)c1 2172514668 KFOCPHBQLCPAKC-OIBJUYFYSA-N 282.252 -0.145 10 10 CBCE O=C1NCC2(CN(C(=O)c3cc(O)c(O)c(O)c3)C2)N1 2188919948 QYTNJZQYKLOBMU-UHFFFAOYSA-N 279.252 -0.689 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1cccc(O)c1O 2233864008 XBOBNOPUZBYIIZ-UISBYWKRSA-N 283.280 -0.710 10 10 CBCE CN(C)N=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C 254344876 AZZFNPKVCVRPGF-UHFFFAOYSA-N 265.277 -0.469 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@@H](CO)C1 316112840 LCKBWPCAWOYEFW-KCJUWKMLSA-N 253.254 -0.477 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2CNC(=O)C2)cc1 398314317 FMRXFXJQGADRHW-SNVBAGLBSA-N 283.353 -0.176 10 10 CBCE O=C(CCc1nn[nH]n1)NCc1ccc(O)c(O)c1 1622643343 MIVVOCPQGJZMCT-UHFFFAOYSA-N 263.257 -0.140 10 10 CBCE O=C(CN1C(=O)CCC1=O)NCc1ccc(O)cc1O 1638352715 VGKWGDVRMIRREK-UHFFFAOYSA-N 278.264 -0.137 10 10 CBCE CCCNC(=O)CN(C)C(=O)CN1CC(N=[N+]=[N-])C1 1912171354 JMCZLTSHVKNZMX-UHFFFAOYSA-N 268.321 -0.035 10 10 CBCE Oc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1O 2046514118 KWONPLFKSOADST-PVPBFOTQSA-N 255.270 -0.958 10 10 CBCE NC(=O)COC1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2145385243 IKAFGUGYSNOZQC-LBPRGKRZSA-N 277.280 -0.637 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H](O)[C@@H](O)C3)cc21 2188641907 YTJOTFBJNSBAPX-RWMBFGLXSA-N 277.324 -0.405 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@H](O)[C@H](O)C1 2188680807 MWFVDCKDFJCTFP-RWMBFGLXSA-N 277.324 -0.153 10 10 CBCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@@H]2CO)c1 2201050842 AZTROZUMWGGDFB-FPMFFAJLSA-N 281.308 -0.507 10 10 CBCE CCCCOCCOCCOc1nnc(=N)[nH]n1 2219018398 SZERVKWNWUMTIS-UHFFFAOYSA-N 257.294 -0.109 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3CN[C@@H](CO)[C@@H]3C2)cc1 2235573326 KTXNSOQSPSRCQY-YUTCNCBUSA-N 275.352 -0.150 10 10 CBCE C[C@H](O)CN(CCN)C(=O)Cc1ccc(O)c(O)c1 2269793374 KBWYQOLMVBOGOY-VIFPVBQESA-N 268.313 -0.192 10 10 CBCE CN(C)CCN(CCN)C(=O)COc1ccc(N)cc1 2280548006 FMVIKZRZJNHBQH-UHFFFAOYSA-N 280.372 -0.004 10 10 CBCE C[C@H](CNC(=O)c1cccc(O)c1O)S(N)(=O)=O 398359174 LJYZXKWHOINFGR-ZCFIWIBFSA-N 274.298 -0.495 10 10 CBCE NC(=O)[C@H]1CN(Cc2ccccc2O)C[C@@H]1C(N)=O 693455504 TZHWLAPMHUHVES-UWVGGRQHSA-N 263.297 -0.589 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H](C(N)=O)C3)cc21 723177444 TUJHNTYYUQEEOD-QPUJVOFHSA-N 274.324 -0.026 10 10 CBCE CNS(=O)(=O)c1cc(C(=O)OCC(=O)C(C)=O)co1 808531878 ZKEWPPHEMOISGD-UHFFFAOYSA-N 289.265 -0.497 10 10 CBCE O=C(CN1CCC(=O)NC1=O)NCc1ccc(O)cc1O 1451770002 NWXPQLYDYIOPBJ-UHFFFAOYSA-N 293.279 -0.344 10 10 CBCE O=C(C[C@H]1CC(=O)NC1=O)NCc1cc(O)ccc1O 1633599162 QNSSRLARJGZYQE-ZETCQYMHSA-N 278.264 -0.233 10 10 CBCE O=C1N[C@@H](C(=O)NCc2cc(O)ccc2O)CO1 1644753740 HQZVAQGPHRRCHV-MRVPVSSYSA-N 252.226 -0.178 10 10 CBCE COC(=O)[C@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 1865876172 VMWQLEHGWUHDDH-LURJTMIESA-N 271.225 -0.933 10 10 CBCE NC[C@H]1COCCN1C(=O)COc1ccc(N)cc1 1876438951 CVHISMPQWXTZAG-NSHDSACASA-N 265.313 -0.166 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC(CO)(CO)C3)ccc21 1914968377 MQPCMYIADMEEEW-LLVKDONJSA-N 263.297 -0.571 10 10 CBCE N[C@@H]1C[C@H]2CN(Cc3ccc(O)cc3O)CCN2C1=O 2173417528 BRQVZPLAPQDFQO-CMPLNLGQSA-N 277.324 -0.158 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H](CN)O1 2188923397 MDNINNJLTASMNT-APPZFPTMSA-N 282.296 -0.008 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CC(=O)NC1=O 2188924591 RCTSLFBHCXYMHE-ZCFIWIBFSA-N 280.236 -0.710 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2CNCC[C@@H]2O)cc1 2191899230 UQCOCPTWTZXTNT-OLZOCXBDSA-N 279.340 -0.123 10 10 CBCE NC(=O)C1[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]12 2201308688 NCEAKSQHBVYKJT-QWRGUYRKSA-N 274.324 -0.130 10 10 CBCE COc1cc(N2CC3(CNS(=O)(=O)C3)C2)ccc1CN 2204537113 CTLSJEOZZCPBFU-UHFFFAOYSA-N 297.380 -0.107 10 10 CBCE C[C@@H](CO)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2279170191 AJRAQQMHGOWHIS-IONNQARKSA-N 283.280 -0.162 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1ccc(O)cc1O 2332872754 XBYWNGSHIUKGML-GMTAPVOTSA-N 269.253 -0.912 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CO 2333979211 KOYXPXRIKMZZDH-JXJLXUTGSA-N 267.325 -0.049 10 10 CBCE N[C@@H](c1nnc([C@@H](O)CO)o1)c1cc(O)ccc1O 83494133 MQSCHIRTSLBRQX-DTWKUNHWSA-N 267.241 -0.445 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@](O)(CO)C1 313659789 TXSDKADVPQOBEC-LLVKDONJSA-N 254.242 -0.938 10 10 CBCE O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1CO 317432295 LPSCBYQLZDJANZ-JOYOIKCWSA-N 268.269 -0.124 10 10 CBCE CNC(=O)C1CN(C[C@@H](O)COc2ccc(N)cc2)C1 381991744 KLMUNWMKIUMZCK-GFCCVEGCSA-N 279.340 -0.314 10 10 CBCE C[C@H]1CN(C[C@@H](O)COc2ccc(N)cc2)CC(=O)N1 395682807 ASWRRLSDGRFVGF-CMPLNLGQSA-N 279.340 -0.171 10 10 CBCE CON(C)C(=O)CNCc1ccc(O)c(O)c1O 397548180 PQQLOXDYLRZXRZ-UHFFFAOYSA-N 256.258 -0.087 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCOC[C@@H](O)C2)cc1 399872988 QOBMFLRMHDMKLC-QWHCGFSZSA-N 282.340 -0.298 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 808539772 JINOGXFOJAVLGC-DTWKUNHWSA-N 255.270 -0.021 10 10 CBCE CC(C)CNC(=O)C(=O)[C@H]1SC(=S)NC1=O 1088682597 RIVNHRDDZGNSFU-ZCFIWIBFSA-N 260.340 -0.156 10 10 CBCE NC(=O)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1149901180 WIPYJHHUBGWYNW-UHFFFAOYSA-N 293.323 -0.730 10 10 CBCE COC(=O)[C@](C)(CS(C)(=O)=O)NCCN=[N+]=[N-] 2003944476 ARYVQNVAKVFLST-QMMMGPOBSA-N 264.307 -0.137 10 10 CBCE C[C@@](O)(CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348516 NLDYSPMKJZGQBG-LLVKDONJSA-N 271.225 -0.631 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(OCCO)C3)cc21 2152289196 XVVXNVVETFKJHJ-CYBMUJFWSA-N 277.324 -0.140 10 10 CBCE COC(=O)[C@H](C)S(=O)(=O)NCc1cc(N)ccc1O 49063446 URAMQFNGCKTGMI-ZETCQYMHSA-N 288.325 -0.045 10 10 CBCE CN(C(=O)CN1CCOC[C@H]1CO)c1ccc(N)cc1 168016578 UAFVFZFMXLXQKN-CYBMUJFWSA-N 279.340 -0.075 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@@H](CO)C2)cc1 317734224 WHRPTZZQSCPSSI-SKDRFNHKSA-N 265.313 -0.508 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@]1(C(=O)O)CCOC1 380832664 KMZYWUUBSOMXQB-GFCCVEGCSA-N 282.252 -0.192 10 10 CBCE NC(=O)NCCNC(=O)/C=C/c1ccc(O)c(O)c1 779518777 MRGDKRNQBMZYNE-DUXPYHPUSA-N 265.269 -0.105 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1 1220117380 JWBNQIWYNZVKEQ-IMJCEVDSSA-N 280.324 -0.970 10 10 CBCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H](CO)NC(N)=O 1585786556 DZYPXXAWCUMTRQ-LBPRGKRZSA-N 294.355 -0.294 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCO[C@@]12CCOC2 1912207178 VXQUTTGBZVBEDN-ZJUUUORDSA-N 255.278 -0.310 10 10 CBCE O=S1(=O)CC[C@@H](CNCc2cccc(O)c2O)N1 2029509169 KVRXMHRRKCJAML-VIFPVBQESA-N 272.326 -0.121 10 10 CBCE O=S(=O)(NCCc1ccc(O)c(O)c1)C1CNC1 2031069889 JCURPQZTZVIJDU-UHFFFAOYSA-N 272.326 -0.469 10 10 CBCE O=C(NC1[C@@H]2CNC[C@@H]12)c1cc(O)c(O)c(O)c1 2068613865 AUDVTWUXVKAANF-RNFRBKRXSA-N 250.254 -0.249 10 10 CBCE Cc1cc(CN)ccc1N1CC2(C1)OC[C@@H](O)[C@H]2O 2127255732 ZCMAQEHZVFKQRT-CHWSQXEVSA-N 264.325 -0.235 10 10 CBCE COc1ccc([C@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2165122680 NAPFMYVZDGQECQ-XDVZYSIHSA-N 283.324 -0.094 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CCN1Cc1cc(F)ccc1O 2201087462 AQAFPALIHJGJJJ-SRVKXCTJSA-N 285.271 -0.088 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)OCCO2 2226782404 YIKSVVKDUBGEPX-GBIKHYSHSA-N 267.281 -0.640 10 10 CBCE NC(=O)c1nc(CNC(=O)c2ccc(O)c(O)c2)no1 2285848665 PRVSZTUWGJSZMG-UHFFFAOYSA-N 278.224 -0.490 10 10 CBCE Cc1ccc(CNC(=O)[C@H](N)CC(N)=O)c(O)c1 83384670 VUZKYVAMKBFUNI-SECBINFHSA-N 251.286 -0.480 10 10 CBCE C[C@H]1C(=O)NCCN1C(=O)c1cc(O)nc(O)c1 110667134 DDLBKFRYUCKGTP-LURJTMIESA-N 251.242 -0.547 10 10 CBCE CO[C@@H](CNC(=O)c1cc(O)nc(O)c1)C(=O)O 227263713 FDRNNZVFIBHKBX-LURJTMIESA-N 256.214 -0.678 10 10 CBCE O=C(NC[C@@H]1COCCN1)c1ccc(O)c(O)c1 236562988 OKPVRNALXQYAKU-SECBINFHSA-N 252.270 -0.184 10 10 CBCE CN(C(=O)CN1C[C@@H](O)C[C@H]1CO)c1ccc(N)cc1 698112711 DMMUAFMNDRCPHY-STQMWFEESA-N 279.340 -0.341 10 10 CBCE CC(C)(CNS(N)(=O)=O)NC(=O)c1cc(O)cs1 1176780645 WNKSHVUHWIAKED-UHFFFAOYSA-N 293.370 -0.245 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN2C[C@H](O)C[C@H]2C1 1557296406 LCTYTEDXYHHERZ-NWDGAFQWSA-N 292.335 -0.082 10 10 CBCE COC(=O)[C@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1558104640 NCQMAMBRVHWPQD-AWEZNQCLSA-N 295.291 -0.223 10 10 CBCE Nc1ccc(-n2nnc(C(=O)N3CCNCC3)n2)cc1 1857879212 ZACJAPMKQBSVIZ-UHFFFAOYSA-N 273.300 -0.710 10 10 CBCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCCNC(=O)C1 2042110715 ATBZWRJNNVKHCJ-SNVBAGLBSA-N 254.294 -0.199 10 10 CBCE C[C@@H](O)[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2052970535 CEJRTYMBARSGLU-RDDDGLTNSA-N 254.286 -0.535 10 10 CBCE O=C(NCCN1CCNC1=O)c1ccc(O)c(O)c1 2090619667 SCRXOJUQEAVZHM-UHFFFAOYSA-N 265.269 -0.147 10 10 CBCE CN(CC(CO)CO)C(=O)COc1ccc(N)cc1 2094029180 OSJZGZMKIHHENO-UHFFFAOYSA-N 268.313 -0.293 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 2112572002 YONXRRUCMTWAGB-GUBZILKMSA-N 288.369 -0.971 10 10 CBCE CO[C@@H]1CN(C)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913596 UAODBLSPPHXNBL-GZMMTYOYSA-N 282.296 -0.138 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)C[C@@H]3CO)ccc2[C@@H]1O 2200831669 AVALAIRBWSWEPE-NRUUGDAUSA-N 278.308 -0.006 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2260865029 LNVVQPMLRQEQOM-JIMOISOXSA-N 253.298 -0.155 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1OC 2333691584 GVVCCOHUPJNCAL-BREBYQMCSA-N 269.297 -0.394 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1COC1 94710415 QLDTUKBKWZUJPY-VIFPVBQESA-N 252.270 -0.517 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CONC2=O)cc1 393763638 OVPBZRWXBSWGHC-VIFPVBQESA-N 271.298 -0.882 10 10 CBCE CN(C)C[C@@H](O)CNC(=O)Cc1ccc(N)cc1 717388598 RDCRDRPIZZUHOX-LBPRGKRZSA-N 251.330 -0.150 10 10 CBCE C[C@@H](NCC(O)(CO)CO)c1c(O)cccc1O 1913798913 IJNCIDINSNQRTK-MRVPVSSYSA-N 257.286 -0.536 10 10 CBCE N[C@@H]1COC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2032625422 TYJRGUOEUYJAEE-RKDXNWHRSA-N 252.270 -0.517 10 10 CBCE N[C@H]1[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2068623524 HOXMFQLIMRMNSC-MTBHXBHISA-N 250.254 -0.168 10 10 CBCE Nc1ccc(O)c(CNC(=O)CCn2cnnn2)c1 2090277271 FBPPWWOQIPCJOK-UHFFFAOYSA-N 262.273 -0.333 10 10 CBCE CN(CC(CO)CO)C(=O)[C@@H]1CNc2ccccc2N1 2150416837 XCPSVRUZHFAHSJ-ZDUSSCGKSA-N 279.340 -0.048 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)c(OC)c1 2234073994 SBCSXOWHTAMTGG-MBNYWOFBSA-N 282.340 -0.289 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1CO[C@@H]2CNC[C@@H]2O1 2279929102 OTKMPTDQSXSSTM-AGIUHOORSA-N 278.308 -0.236 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)c1 2308772473 CKJUBMVWXYLHPY-SKZLGDCLSA-N 250.298 -0.100 10 10 CBCE Nc1ccc(OCC(=O)N2CCNC(=O)CC2)cc1 62100048 DXJLTNWGQQXLDY-UHFFFAOYSA-N 263.297 -0.004 10 10 CBCE CNC[C@@H]1C(=O)NCCN1c1ccc2c(c1)OCO2 216975247 BATZZYYAAWIZKY-SNVBAGLBSA-N 263.297 -0.061 10 10 CBCE CN(C[C@H](N)CO)c1ccc2c(c1)N(C)C(=O)CO2 259203349 WZCILCJIRKGBTI-VIFPVBQESA-N 265.313 -0.202 10 10 CBCE NS(=O)(=O)CC1CN(C(=O)c2ccc(O)c(O)c2)C1 1880188618 POJHADYIDPQSQT-UHFFFAOYSA-N 286.309 -0.542 10 10 CBCE OCC(CO)(CO)CNCc1cc(F)ccc1O 2059275612 UUIBDCSVYVGNTF-UHFFFAOYSA-N 259.277 -0.416 10 10 CBCE COC(=O)[C@H](O)CNC(=O)Nc1ccc(N)cc1 2071567891 DFXRXEQNRSFYNJ-SECBINFHSA-N 253.258 -0.076 10 10 CBCE COC[C@@](O)(CO)CNCc1c(O)cccc1OC 2104443259 WZLFGUBWPBNUHD-ZDUSSCGKSA-N 271.313 -0.140 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O)c1cc(O)ccc1O 2108831330 LOQOQSMXDWOFFD-XYQXETQSSA-N 269.297 -0.397 10 10 CBCE N[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CO 2122381561 NRMRKDVPADTHGQ-BDAKNGLRSA-N 267.285 -0.726 10 10 CBCE COC1(CO)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132350072 KDEJIMRUDRXOLD-UHFFFAOYSA-N 269.253 -0.363 10 10 CBCE CCO[C@H]1CNCC[C@H]1NC(=O)c1cc(O)nc(O)c1 2146728835 FOMKYNOMTUIAOC-ZJUUUORDSA-N 281.312 -0.010 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@H]4O)ccc21 2160714615 FYEJNLNZKAFQLV-ZLUKUHHFSA-N 275.308 -0.431 10 10 CBCE CO[C@]1(CN)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188924579 QZXRYUVRDPLGPW-ZDUSSCGKSA-N 282.296 -0.007 10 10 CBCE COC(=O)[C@@H](N)CCNC(=O)COc1ccc(N)cc1 2191760808 KCKPUGFVWUZNAL-NSHDSACASA-N 281.312 -0.346 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2ccc(O)c(O)c2)C[C@H]1O 2197473202 LJJPHWLAMGNPHQ-DGCLKSJQSA-N 283.280 -0.520 10 10 CBCE CN(C)c1ccc(OC[C@@]2(O)CNC[C@H]2O)cc1 2221878789 LXXHUCVSBGHQRV-OLZOCXBDSA-N 252.314 -0.173 10 10 CBCE CC(C)(C)N1C(=O)NC(=O)C(=CNCCO)C1=O 2296321165 JZJSVSKQACJACJ-UHFFFAOYSA-N 255.274 -0.671 10 10 CBCE Oc1cc(Cl)ccc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309042541 KBCHFBSUTTUXGF-GMNPVEAJSA-N 273.716 -0.010 10 10 CBCE COC[C@H]1[C@@H](O)[C@@H](O)CN1CCc1ccc(N)cc1 2333608027 LPRVTMMXYUDHRZ-MELADBBJSA-N 266.341 -0.136 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2357591819 AHUOOKKBSWYJTF-WHNOBIIHSA-N 280.280 -0.551 10 10 CBCE CN(C)CCN/C=C1/SC(=S)N(CC(=O)O)C1=O 28615000 NQTAPTNESUUJDH-FNORWQNLSA-N 289.382 -0.076 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc2c(c1)CCO2 31466154 GNARWRCDSDKDDW-UHFFFAOYSA-N 277.324 -0.080 10 10 CBCE COCCNS(=O)(=O)NCc1ccc(N)cc1 128352771 ZDAJSBBYGAZOPA-UHFFFAOYSA-N 259.331 -0.161 10 10 CBCE Nc1cc2c(cc1N1CC[C@H](S(N)(=O)=O)C1)OCCO2 707500305 OBFPICFKEJJVNT-QMMMGPOBSA-N 299.352 -0.093 10 10 CBCE NC(=O)CC[S@@](=O)C[C@H](O)COc1ccc(N)cc1 722444223 KLKUBYDFMWHFNN-GIGQVBGESA-N 286.353 -0.367 10 10 CBCE Nc1ccc(OCCC(=O)NCC2(N)COC2)cc1 1876438932 CQAGPWZCBKCFKN-UHFFFAOYSA-N 265.313 -0.118 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(CO)(CO)C1 1914991240 IWOAPYROSXZHNV-SNVBAGLBSA-N 279.340 -0.118 10 10 CBCE NCC1(NC(=O)Cc2ccc(O)c(O)c2)COC1 2027484505 STUKDYYRJBIWCJ-UHFFFAOYSA-N 252.270 -0.516 10 10 CBCE Cn1cc(S(=O)(=O)Nc2ccc(O)cc2N)nn1 2027819312 QLSFCPOFXUPXQC-UHFFFAOYSA-N 269.286 -0.096 10 10 CBCE COC(=O)Cc1cc(O)n2ncc(C(=O)O)c2n1 2080934829 XWGPQNIPBQXJHO-UHFFFAOYSA-N 251.198 -0.151 10 10 CBCE COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c(O)c1 2121364861 QVDQUAGLWVEMMX-JQWIXIFHSA-N 287.337 -0.352 10 10 CBCE NC(=O)COC1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2145385241 IKAFGUGYSNOZQC-GFCCVEGCSA-N 277.280 -0.637 10 10 CBCE CCOc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1O 2165120908 ILPSUVLTQJDPHE-OAACRXHESA-N 283.324 -0.265 10 10 CBCE Cc1cc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)ccc1CN 2166790331 FGMYKJOTCSUNSD-TXEJJXNPSA-N 274.324 -0.743 10 10 CBCE COCC(O)(CNC(=O)c1cc(O)nc(O)c1)COC 2175894482 IGFHKRZVLYVMAZ-UHFFFAOYSA-N 286.284 -0.754 10 10 CBCE Nc1ccc(OCCC(=O)N(CCO)CCO)cc1 40332333 WVVSSQDMFVAEKR-UHFFFAOYSA-N 268.313 -0.149 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCNC(=O)CC3)ccc21 108781957 FFSYVSURLKTOHF-LBPRGKRZSA-N 260.297 -0.035 10 10 CBCE COC(=O)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 214203911 SAMAHTHIRAMLNK-SNVBAGLBSA-N 280.280 -0.056 10 10 CBCE NC(=O)[C@@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 300526830 CKKGMDSZAYWFPY-SSDOTTSWSA-N 276.296 -0.089 10 10 CBCE CN(c1cc2c(cc1N)OCC(=O)N2)C(CO)CO 311449380 RTHVGSKNZJRAOD-UHFFFAOYSA-N 267.285 -0.611 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCNC2=O)cc1 693960806 UNKZFCGIZFASRI-SNVBAGLBSA-N 269.326 -0.423 10 10 CBCE C[C@@H](C(N)=O)N(C)C[C@@H](O)COc1ccc(N)cc1 711091228 XFTFPTQXYJFXPL-GXSJLCMTSA-N 267.329 -0.186 10 10 CBCE Nc1ccc(CO[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 1924871812 HAPPHKWARQDSGS-QWRGUYRKSA-N 257.311 -0.057 10 10 CBCE [N-]=[N+]=NCCCN1CCN[C@H]2CS(=O)(=O)C[C@H]21 2006173064 XJHPYWLUZGUYOG-DTWKUNHWSA-N 259.335 -0.242 10 10 CBCE COc1ccc(N(C)C[C@@]2(O)CNC[C@@H]2O)cc1 2039437058 NBOZPHDOXZKKEV-STQMWFEESA-N 252.314 -0.173 10 10 CBCE CN(Cc1ccc(N)cc1)CC(CO)(CO)CO 2059214299 ICSSGCYUOAXBJX-UHFFFAOYSA-N 254.330 -0.336 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 2068406603 MTCIMNJKVFZDLU-RYUDHWBXSA-N 250.298 -0.235 10 10 CBCE O=C(N[C@H]1CNCC[C@H]1O)c1cc(O)c(O)c(O)c1 2132347946 ALWDXVZXBXQARN-JGVFFNPUSA-N 268.269 -0.744 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC(=O)N1 2132348120 FFUOLKBUCKGRNI-LURJTMIESA-N 266.253 -0.236 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 2172839065 QISIPIVHUOGNFC-FOGDFJRCSA-N 280.324 -0.145 10 10 CBCE CN1CCc2cc([C@@H](N)[C@@H](O)c3nnnn3C)ccc21 2196244969 AZJNRADDKSFYII-VXGBXAGGSA-N 274.328 -0.064 10 10 CBCE N=c1nnc(OC[C@]2(C(F)(F)F)CCNC2)n[nH]1 2219022020 QMZFZIUUFLASGC-ZETCQYMHSA-N 264.211 -0.400 10 10 CBCE COCC[C@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2225570056 WVMJXKLTCDJHTL-QMMMGPOBSA-N 270.285 -0.103 10 10 CBCE OCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(F)c1 2225726477 KSZVDKBODJBLST-STQMWFEESA-N 271.288 -0.388 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)COCC2 2226710330 HAFGJZJXQSUEKM-HZSPNIEDSA-N 265.309 -0.338 10 10 CBCE OC[C@@]1(O)CCN(c2ccc3c(c2)OCCO3)C[C@H]1O 2235094427 OSIIDRWPKARUSA-KGLIPLIRSA-N 281.308 -0.248 10 10 CBCE C[C@@H](c1ccccc1O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)O 2332874539 ZUIWACDMDQOKPA-FZVWWSIASA-N 267.281 -0.056 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 234438591 XTXJRRMSIXUESF-TUAOUCFPSA-N 263.297 -0.559 10 10 CBCE CCS(=O)(=O)NCCNCc1ccc(O)c(O)c1O 390188893 SATVURFWODNSHC-UHFFFAOYSA-N 290.341 -0.168 10 10 CBCE Cn1nnc(CNC(=O)COc2ccc(N)cc2)n1 398133068 WREIBXUNPRZNDE-UHFFFAOYSA-N 262.273 -0.513 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@@H]1CO 687619522 HPPDUZZXRGZVTJ-ZWNOBZJWSA-N 276.340 -0.249 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNC2=O)cc1 693960801 UNKZFCGIZFASRI-JTQLQIEISA-N 269.326 -0.423 10 10 CBCE NS(=O)(=O)C1(CNC(=O)c2cccc(O)c2O)CC1 713999119 DBYLUBZAUPHJST-UHFFFAOYSA-N 286.309 -0.351 10 10 CBCE CN(Cc1ccc(N)cc1)C(=O)Cn1cnc(=N)[nH]1 1876476918 CFRGDCRWFOGROG-UHFFFAOYSA-N 260.301 -0.069 10 10 CBCE O=C(N[C@H](CO)CCCO)c1ccc(O)c(O)c1 2029927413 IYBGIBDQCNREFS-VIFPVBQESA-N 255.270 -0.039 10 10 CBCE Nc1ccc(CS(=O)(=O)NN2CCNCC2)cc1 2071689886 JBXOLAKDGZMBQR-UHFFFAOYSA-N 270.358 -0.492 10 10 CBCE N[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)[C@H](O)C1 2096481359 SGTAIHUHNKGMFF-DKCNOQQISA-N 266.297 -0.074 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCO[C@H]1C(N)=O 2117474857 ZGINKZGMUGGLJO-PSASIEDQSA-N 264.285 -0.578 10 10 CBCE C[C@H]1OC2(CN)CC1(NC(=O)c1cc(O)nc(O)c1)C2 2156837524 QRFMRKRLRYTCED-IASTZPEPSA-N 279.296 -0.129 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@H](O)C1)NC(=O)CO2 2161355791 ZEQYCDFTJRNPFM-YUMQZZPRSA-N 279.296 -0.468 10 10 CBCE Nc1ccc(O)c(CN2CCN(C[C@@H](O)CO)CC2)c1 2178037788 OIULFMUMMXYLCB-CYBMUJFWSA-N 281.356 -0.555 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(CO)c([N+](=O)[O-])c1 2188572251 OWISHRSUNOIVFY-SSDOTTSWSA-N 279.252 -0.062 10 10 CBCE O=C(NCC[C@@]1(O)CCNC1)c1ccc(O)c(O)c1 2230135631 GVHSHHJSAIIAHT-ZDUSSCGKSA-N 266.297 -0.058 10 10 CBCE O[C@H]1[C@H](O)COC12CN(c1ccc3c(c1)OCCO3)C2 2235105465 YNMQCUSEKXTAJM-MFKMUULPSA-N 279.292 -0.231 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2329326645 QTAQWLFZDVWXKQ-BNQQVVLKSA-N 262.309 -0.236 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2354368305 FNLMTCCWSXHFJM-FRRDWIJNSA-N 277.324 -0.101 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1CC(=O)c1ccc(O)c(O)c1 97294668 QZSLOCWTRBVTGI-SSDOTTSWSA-N 278.264 -0.373 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COCC[C@@H]2O)cc1 710884202 JXMPQLIENBMYOB-RYUDHWBXSA-N 286.353 -0.162 10 10 CBCE CNS(=O)(=O)CC(=O)NCc1c(O)cccc1F 928705973 PVPZDUXOMLILIL-UHFFFAOYSA-N 276.289 -0.303 10 10 CBCE [N-]=[N+]=NCCCNS(=O)(=O)N1CCC[C@H](O)C1 1912170423 WWBMAJPSAFDPPD-QMMMGPOBSA-N 263.323 -0.022 10 10 CBCE O=C(N[C@@H]1CNCCOC1)c1cc(O)nc(O)c1 2034725969 NYTLUSBCSVVDJX-MRVPVSSYSA-N 253.258 -0.789 10 10 CBCE CN(CCNC(=O)c1ccc(O)c(O)c1)CC(=O)O 2096653308 XJRSAQLTROYSRC-UHFFFAOYSA-N 268.269 -0.156 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)C1(C(=O)O)COC1 2116494953 PPHHEBCLYSPZKN-UHFFFAOYSA-N 268.225 -0.582 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2136334928 GASPSFPGRZZQPI-WBMYTEFPSA-N 266.341 -0.130 10 10 CBCE CN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1OC 2146742984 WZHHDZPNZBFPRW-UWVGGRQHSA-N 281.312 -0.058 10 10 CBCE Cn1nnnc1CCNC(=O)COc1ccc(N)cc1 2175912434 QTCQSNQATRPHQK-UHFFFAOYSA-N 276.300 -0.470 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@@H](N)C1)NC(=O)CO2 2191619829 ATXIILQVZZVGCA-SFYZADRCSA-N 278.312 -0.502 10 10 CBCE Nc1cc2c(cc1N1CC[C@H]1[C@H](O)CO)OCCO2 2270705280 ODNDWIRNDCWWHX-GXSJLCMTSA-N 266.297 -0.028 10 10 CBCE CCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1 35366607 QEGIYDDMIPFIKU-UHFFFAOYSA-N 264.329 -0.308 10 10 CBCE N[C@H](CO)c1nnc(-c2ccc(O)c(O)c2O)o1 83394526 OJZGMLPCKNOTMQ-RXMQYKEDSA-N 253.214 -0.155 10 10 CBCE NC(=O)N[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 690735310 LSHGYHRYXUDADC-HQJQHLMTSA-N 276.296 -0.081 10 10 CBCE CCN[C@@H]1CCOC[C@@H]1NC(=O)c1cc(O)nc(O)c1 721632844 NQELEHGAWAGHMB-ZJUUUORDSA-N 281.312 -0.010 10 10 CBCE CN(C)C[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1140127795 KZOMXKOOBLXSAO-JTQLQIEISA-N 268.313 -0.321 10 10 CBCE CNS(=O)(=O)CC(=O)NCc1ccc(O)cc1O 1639444239 CQWTZGZWVDNOEN-UHFFFAOYSA-N 274.298 -0.737 10 10 CBCE NCC1(O)CN(c2cc3c(cc2N)OCC(=O)N3)C1 1876367468 WDBPDKBRBTWJJY-UHFFFAOYSA-N 264.285 -0.891 10 10 CBCE O=[N+]([O-])c1ccc(N2CC(CO)(CO)C2)cc1CO 1914979609 DJZRBRGXZNDWMB-UHFFFAOYSA-N 268.269 -0.122 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 2030267730 DIHYEVNMNFYVRC-BRPSZJMVSA-N 250.254 -0.197 10 10 CBCE O=C(O)CN1CC(NCc2ccc(O)c(O)c2)C1 2050210934 GKAZRPHQPJZALM-UHFFFAOYSA-N 252.270 -0.044 10 10 CBCE NOCCNS(=O)(=O)CCOc1ccc(N)cc1 2071701255 HGBOBZWXPZHNGQ-UHFFFAOYSA-N 275.330 -0.543 10 10 CBCE COc1cccc(O)c1[C@H](C(N)=O)N1CCNCC1 2104436686 DNIQRXGEQOFNTM-GFCCVEGCSA-N 265.313 -0.168 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCNC(=O)C2)cc1 2129769099 FJXZAOPQZBOPHL-LLVKDONJSA-N 283.353 -0.033 10 10 CBCE CCOC1(C(=O)O)CN(C(=O)c2cc(O)nc(O)c2)C1 2170808276 NSKSGSLEASPLOM-UHFFFAOYSA-N 282.252 -0.192 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@H]2CCO[C@H]21 2176420199 ZGNCMNGNKPBHKI-OTMMVIPVSA-N 278.308 -0.129 10 10 CBCE O=C(NCC[C@H](O)CCO)c1cccc(O)c1O 2326772537 LAVUVLFRJTVAPY-QMMMGPOBSA-N 255.270 -0.039 10 10 CBCE C[C@@H](c1ccccc1O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)O 2332873157 ZUIWACDMDQOKPA-FZVWWSIASA-N 267.281 -0.056 10 10 CBCE CNCCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 43605749 CHOYBSKVCGHCHT-SECBINFHSA-N 282.296 -0.181 10 10 CBCE O=C(O)/C=C/C(=O)NCCN1C(=O)CSC1=S 49756870 BCKYSCOFTDEONY-OWOJBTEDSA-N 274.323 -0.396 10 10 CBCE NC(=O)NCCNC(=O)CCc1ccc(N)cc1 131964124 YRGYBYYANARBOY-UHFFFAOYSA-N 250.302 -0.014 10 10 CBCE Oc1cc2c(cc1CNCCn1ncnn1)OCO2 379799215 MBBHTSJOCFAUIA-UHFFFAOYSA-N 263.257 -0.103 10 10 CBCE C[C@H]1CN(C[C@H](O)COc2ccc(N)cc2)CC(=O)N1 395682808 ASWRRLSDGRFVGF-JQWIXIFHSA-N 279.340 -0.171 10 10 CBCE Nc1ccc(NC(=O)CN2CCOC[C@@H](O)C2)cc1 399878931 XNPFASNQAYUFLG-LBPRGKRZSA-N 265.313 -0.100 10 10 CBCE CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(O)c(O)c1 697270143 NROJKNSJOPZMKU-SKDRFNHKSA-N 287.337 -0.001 10 10 CBCE COc1ccc(O)c(CN2CCN(CC(N)=O)C(=O)C2)c1 839169841 JVOJZWGVJXMXCK-UHFFFAOYSA-N 293.323 -0.470 10 10 CBCE NC(=O)NCCC(=O)NCc1ccc(O)cc1O 1557084965 WAGBMGUGMOOLSD-UHFFFAOYSA-N 253.258 -0.228 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COCC[C@H]2N)cc1 1876448626 GWCIRPXUAPWPSS-NEPJUHHUSA-N 265.313 -0.120 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N(CCO)CCCO 2087728968 IVLKYEGECMVIRC-UHFFFAOYSA-N 269.297 -0.156 10 10 CBCE CN[C@@H]1CCc2cc(N3CC(O)(C(N)=O)C3)ccc21 2128311679 XZLDAQBMZBZBNY-GFCCVEGCSA-N 261.325 -0.070 10 10 CBCE CNC(=O)[C@H]1CNCCN1Cc1c(O)cccc1OC 2160723442 KFTVQIYANRSLPS-LLVKDONJSA-N 279.340 -0.079 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H]3NC(=O)O[C@@H]3C2)cc1 2176919673 GCANFYAFAANHDL-WDEREUQCSA-N 277.280 -0.033 10 10 CBCE Cc1cc(N2CCN(C[C@@H](O)CO)CC2)ccc1CN 2178039597 GVGHBZLPGOCZNX-OAHLLOKOSA-N 279.384 -0.071 10 10 CBCE NC(=O)[C@@H]1C[C@H](N)CN(C(=O)Nc2ccc(N)cc2)C1 2191534482 AXCWQTJSKAQHNM-SCZZXKLOSA-N 277.328 -0.065 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(Cl)c1 2273651509 PHSQKWUJGBPVHF-TVYUQYBPSA-N 286.759 -0.051 10 10 CBCE CS(=O)(=O)N1CCC(NCCN=[N+]=[N-])(C(N)=O)CC1 302288729 HHNOSDCGHZXVDI-UHFFFAOYSA-N 290.349 -0.834 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)[C@H](CO)C1 1148582246 HBMHGAKHIVCKLR-DTWKUNHWSA-N 283.280 -0.381 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CNCCO2)cc1 1876418140 UWYBWZQJNXWCNT-LBPRGKRZSA-N 285.369 -0.323 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1N 2089912447 VLAYFOIMLINFIQ-VHSXEESVSA-N 265.313 -0.189 10 10 CBCE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(O)c(O)c1O 2118012214 GEJAQBYBOAXLCP-MBTKJCJQSA-N 285.321 -0.064 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@@H](O)C1 2132348028 CFXAXVXJCDNTKZ-QMMMGPOBSA-N 269.253 -0.363 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2136337985 CRBIFGCOVHKWGU-SDDRHHMPSA-N 290.722 -0.160 10 10 CBCE O=C(O)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 2180073736 MEWJEIAHSULPGJ-JGVFFNPUSA-N 282.252 -0.600 10 10 CBCE O=C(O)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 2180073738 MEWJEIAHSULPGJ-YUMQZZPRSA-N 282.252 -0.600 10 10 CBCE NC(=O)[C@@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188868786 WWSJSNQUYNTLBJ-ZETCQYMHSA-N 282.252 -0.870 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188922201 FMPQXQWKQKQUFR-VVHZZMTCSA-N 280.280 -0.352 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)c(F)c1F 2234074134 LYJBXESVFKOIED-BREBYQMCSA-N 288.294 -0.020 10 10 CBCE CN(CC1(O)CNC1)C(=O)COc1ccc(N)cc1 2271700592 DBGXBTDJSQQTTH-UHFFFAOYSA-N 265.313 -0.560 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(N)c1 2311710270 UNXRSNAMZIXFQQ-TUAOUCFPSA-N 254.286 -0.820 10 10 CBCE CN(CC(N)=O)S(=O)(=O)Cc1ccc(N)cc1 37270340 XWKCBSXMKWMLFC-UHFFFAOYSA-N 257.315 -0.484 10 10 CBCE COCCN(CC(=O)O)C(=O)c1cc(O)nc(O)c1 49606234 NMMPNPYDMFPKIG-UHFFFAOYSA-N 270.241 -0.334 10 10 CBCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN1 384847596 YXZJLAYEIWNFEW-RKDXNWHRSA-N 280.280 -0.428 10 10 CBCE CN1C[C@H](NC(=O)c2cccc(O)c2O)C(=O)N1 393952241 ZNAUYIYJKSUZPV-ZETCQYMHSA-N 251.242 -0.827 10 10 CBCE CS(=O)(=O)NC1CN(CCOc2ccc(N)cc2)C1 703019445 HHBXGXUHJILNSL-UHFFFAOYSA-N 285.369 -0.119 10 10 CBCE CNC(=O)C[S@](=O)C[C@@H](O)COc1ccc(N)cc1 722446117 XDMIXTGNMDSDRJ-APBUJDDRSA-N 286.353 -0.497 10 10 CBCE CO[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1N 1876495723 SJNYWDIVHKAPSG-RYUDHWBXSA-N 265.313 -0.168 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(CO)(CO)C3)cc21 1914971223 PWQKHFULXGUEDB-LBPRGKRZSA-N 277.324 -0.546 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2[C@@H](O)C[C@H]2C1 2033976316 CLHPNKKNWJQJPU-YIZRAAEISA-N 250.254 -0.054 10 10 CBCE NC[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@@H]1CCOC1 2049784438 LSTVWGPXLQMSIJ-DBIOUOCHSA-N 254.330 -0.137 10 10 CBCE O=S1(=O)CC[C@H](CNCc2ccc(O)c(O)c2O)N1 2090001064 JQWIZEPOHYZCTN-MRVPVSSYSA-N 288.325 -0.415 10 10 CBCE NCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(F)c1 2090135763 JTDLZGUOJCEOCS-STQMWFEESA-N 270.304 -0.157 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2136346298 YRGMXTOCOMOFQB-RWMBFGLXSA-N 270.304 -0.552 10 10 CBCE O=C1CN(Cc2ccc(O)c(O)c2)[C@H](C(=O)O)CN1 2136365571 ZOILOOCTDCRPRJ-QMMMGPOBSA-N 266.253 -0.517 10 10 CBCE CN(C)[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 2146137859 LSIWAUZGAINFNY-CHWSQXEVSA-N 299.396 -0.295 10 10 CBCE CN(C)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@@H]1O 2146159437 UTPTXDNJFSEXKW-FRRDWIJNSA-N 277.324 -0.217 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](CO)C1CC1 2150538467 PNDKCQNMKXTOTC-QWRGUYRKSA-N 280.324 -0.145 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H](O)CCN1 2177464837 IKODGSGQBCENCT-MNOVXSKESA-N 280.324 -0.131 10 10 CBCE O=C(NCC[C@H]1COC[C@@H]1O)c1cc(O)c(O)c(O)c1 2188867599 DDBIIDOQSKMSHQ-CPCISQLKSA-N 283.280 -0.069 10 10 CBCE N=c1nnc(OCC2(CN)CC3(CCC3)C2)n[nH]1 2219014864 KRWJSIJBFXCUDT-UHFFFAOYSA-N 250.306 -0.033 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1 2289489380 UJYKUTCDXUGWNC-SWHYSGLUSA-N 284.331 -0.305 10 10 CBCE N[C@@H](c1nnc([C@@H](O)CO)o1)c1ccccc1O 83384315 VTKSDFGGQIONAL-DTWKUNHWSA-N 251.242 -0.151 10 10 CBCE CNCCCNC(=O)[C@@H](N)c1ccc(O)cc1O 83395664 PUCIOOKBSXVDMW-NSHDSACASA-N 253.302 -0.177 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H](CO)C3)ccc21 396795424 DRPNEHDSFCKRHV-JCOFBHIZSA-N 277.324 -0.182 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C(=O)O 687292331 IXJLWBYCJFUOLD-QMMMGPOBSA-N 281.268 -0.666 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 693462405 MALJHCYOXKXDJO-QWRGUYRKSA-N 277.324 -0.490 10 10 CBCE CN(C)C[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 702221352 BYSGKMDUEDBMHL-QMMMGPOBSA-N 268.269 -0.158 10 10 CBCE Cc1ccc(O)c([C@@H](C)NC(C(N)=O)C(N)=O)c1 710058531 VXLGJDIFRURGFL-SSDOTTSWSA-N 251.286 -0.310 10 10 CBCE CN1CCO[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 1148586505 QGQKUBBLZPPRRT-SECBINFHSA-N 282.296 -0.136 10 10 CBCE CN(CCC(=O)O)C(=O)c1nnn(-c2ccc(N)cc2)n1 1857878441 BWYFWNNMMGKJIS-UHFFFAOYSA-N 290.283 -0.209 10 10 CBCE CN1CCN[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1971622567 OPWGCVGXZXGUGR-NSHDSACASA-N 279.340 -0.340 10 10 CBCE N[C@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2068627345 GJVYULFQQHXXNC-BQBZGAKWSA-N 254.242 -0.741 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1O 2089919720 OQSWLKLHRNQHBH-GXSJLCMTSA-N 266.297 -0.155 10 10 CBCE C[C@@H]1[C@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2126119604 MSQWDKZDHOIHPX-VFWDIBGWSA-N 266.297 -0.441 10 10 CBCE Nc1ccc(CCN2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2127256842 DSWKTOMXQYAFRI-STQMWFEESA-N 264.325 -0.382 10 10 CBCE CON(C)C(=O)CNC(=O)c1cc(O)c(O)c(O)c1 2132407990 TXXNHMZPCFNYEI-UHFFFAOYSA-N 270.241 -0.447 10 10 CBCE CCOc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2219580261 RCARXFMRIMPYLH-AVGNSLFASA-N 253.298 -0.012 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(OC)c1 2289510130 DKMRMJBILGFEFY-LQJRIPTKSA-N 283.324 -0.146 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2OCC[C@@]2(CO)C1 2296352083 COXAVPPJEULVNB-RNCFNFMXSA-N 280.280 -0.284 10 10 CBCE CC[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332920088 MJSNEZJRAXDPSY-FQUUOJAGSA-N 266.341 -0.001 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2COC)cc1 2333609084 UCPPYFPBHFIRPK-MJBXVCDLSA-N 266.341 -0.037 10 10 CBCE CN1CCN(CC(=O)Nc2ccc(N)cc2)C(=O)C1=O 61797519 UWCBSNQJAKKVRX-UHFFFAOYSA-N 276.296 -0.492 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(=O)NC(=O)C3)cc21 131405587 IBJZFKDDZJSVJT-LBPRGKRZSA-N 274.280 -0.874 10 10 CBCE Cc1ccc(O)c(CN(CC(N)=O)CC(N)=O)c1 134012904 GAJIYBUUZSAOEV-UHFFFAOYSA-N 251.286 -0.527 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1cccc(Cl)c1O 160232951 NQFSDIKSHJAFDB-UHFFFAOYSA-N 271.704 -0.182 10 10 CBCE Nc1ccc(NC(=O)CN2CCNS2(=O)=O)cc1 308375459 YETCKNYXHGNDHD-UHFFFAOYSA-N 270.314 -0.643 10 10 CBCE NC(=O)[C@H]1COCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 723202079 RHFIRLVKALHGSY-GHMZBOCLSA-N 276.296 -0.671 10 10 CBCE CCO[C@@H]1CNCC[C@]1(NCCN=[N+]=[N-])C(N)=O 1912194291 TUZWLCCHIZFHGR-PSASIEDQSA-N 256.310 -0.491 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CNC[C@@H]2CCO3)C1 2049786065 IQZCUVIECWQSOO-AVWBDOJWSA-N 252.314 -0.370 10 10 CBCE Nc1ccc(CCO[C@H]2CS(=O)(=O)C[C@H]2O)cc1 2056190373 YDNFTHDJMDOFOR-NEPJUHHUSA-N 271.338 -0.014 10 10 CBCE COC1(C(N)=O)CN(C(=O)Nc2ccc(N)cc2)C1 2104898078 HLMGEICJJPIZGA-UHFFFAOYSA-N 264.285 -0.013 10 10 CBCE O=C(NC[C@@]1(O)CCOC1)c1cc(O)c(O)c(O)c1 2132348698 QVADVMBXQFQZON-LBPRGKRZSA-N 269.253 -0.315 10 10 CBCE C[C@H]1CN[C@H](C(=O)NCCc2ccc(O)c(O)c2)CN1 2148011032 XBYQJXRHLBLWPT-ONGXEEELSA-N 279.340 -0.294 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CNC[C@H](O)C1 2155380655 VMCVMVDTNUGBRS-WDEREUQCSA-N 280.324 -0.273 10 10 CBCE NC(=O)[C@@H]1CN(Cc2ccc(F)cc2O)C[C@@H]1C(N)=O 2204657116 SFGLBZHOEJBZCS-AOOOYVTPSA-N 281.287 -0.450 10 10 CBCE NCc1cc(F)c(N2CC[C@@](O)(CO)[C@H](O)C2)c(F)c1 2234104364 GPTNNULYDSYUIP-DGCLKSJQSA-N 288.294 -0.282 10 10 CBCE O=S(=O)(C1CNC1)N1CCc2cc(O)c(O)cc2C1 2341198287 OSMCRCIPLONDML-UHFFFAOYSA-N 284.337 -0.243 10 10 CBCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCS(=O)(=O)C1 90260298 JJFFRMNIEVCOJI-QMMMGPOBSA-N 261.307 -0.681 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCNC(=O)CC3)cc21 131387059 WKDUZTZMCVAUFW-CYBMUJFWSA-N 274.324 -0.011 10 10 CBCE NC(=O)[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 383561276 KBFOYQYBQKDBBF-LBPRGKRZSA-N 281.268 -0.486 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)c2ccc(O)c(O)c2)C1 389032704 KGFIPGNHWZTQQN-LBPRGKRZSA-N 266.253 -0.840 10 10 CBCE Cn1c(O)nnc1CNC(=O)COc1ccc(N)cc1 692190262 JVHSJSQRLMEGMO-UHFFFAOYSA-N 277.284 -0.202 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H](CO)NC(=O)OC(C)(C)C 860080538 HCVIPMBRHOQNGR-MRVPVSSYSA-N 289.284 -0.427 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2CNC[C@@H]2O)cc1 1876401376 NWFCDVWNTDPVOC-PWSUYJOCSA-N 285.369 -0.732 10 10 CBCE CN(Cc1ccccc1O)C(=O)N[C@@H](CO)C(=O)O 1877539231 SWACCTUPYYXTOE-VIFPVBQESA-N 268.269 -0.021 10 10 CBCE NCC=CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 1912082695 QSXXNUNMCLXHKG-SECBINFHSA-N 280.280 -0.275 10 10 CBCE Cn1cc(-c2noc(-c3nnsc3N)n2)c(O)nc1=O 1923220219 IIKBIFATAFFEGK-UHFFFAOYSA-N 293.268 -0.363 10 10 CBCE Cn1c(O)nc(Sc2ncc(CN)s2)nc1=O 1996424138 CGHOVMUBVUVSRC-UHFFFAOYSA-N 271.327 -0.053 10 10 CBCE OCC1(NCc2ccc(O)c(O)c2O)CC(O)C1 2073602346 SDYMZAWMWHBNSO-UHFFFAOYSA-N 255.270 -0.221 10 10 CBCE Nc1ccc(O)c(CN2CCOC[C@@H]2[C@@H](O)CO)c1 2090134793 AGDXDJHMTOVCEB-YPMHNXCESA-N 268.313 -0.472 10 10 CBCE C[C@@]1(CO)COCCN1C(=O)c1cc(O)nc(O)c1 2112714250 VTUUXBJJULPUSM-GFCCVEGCSA-N 268.269 -0.284 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](O)[C@H](O)C2)cc1 2132169281 WZSLZXDVKLAUEZ-NWDGAFQWSA-N 266.297 -0.398 10 10 CBCE O=C(N[C@H]1COCC[C@H]1C(=O)O)c1cc(O)nc(O)c1 2159038527 XFHWMUUWLMUTBN-SFYZADRCSA-N 282.252 -0.288 10 10 CBCE O=C1Nc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc2[C@@H]1O 2160704413 QCGDYPAUJMUPSJ-PLBRUEJASA-N 276.292 -0.398 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@H]1CC(=O)NC1=O 2171207478 VKYGILOYZMSPIP-GXSJLCMTSA-N 274.280 -0.510 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1O 2201032876 JPXIEBOWHAGHNF-DWVUBDKYSA-N 282.340 -0.425 10 10 CBCE CN(CC1(O)CNC1)c1cc2c(cc1N)OCCO2 2271689058 LCZXAXSJMGPACE-UHFFFAOYSA-N 265.313 -0.190 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1 2289397067 FFWDZHMUMGIJNF-UVJIQFMESA-N 284.331 -0.004 10 10 CBCE CC1(O)CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 227290566 AYACBCDHBOWNKB-VIFPVBQESA-N 266.297 -0.439 10 10 CBCE O=C1CN(c2ccc3c(c2)OCCO3)C[C@@H](CO)N1 259395965 XFWPNGSVBGVJDV-VIFPVBQESA-N 264.281 -0.245 10 10 CBCE CN(C)c1ccc(/C=C\C(=O)NC[C@@H](O)C(N)=O)cc1 312257896 CKUXEOVXRUXJKN-VVEJJEBESA-N 277.324 -0.272 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2OCCN[C@H]2C1 404087099 RSVRFUFWXIQSRN-UWVGGRQHSA-N 279.296 -0.304 10 10 CBCE COC(=O)[C@H](NC(=O)c1cc(O)nc(O)c1)[C@H](C)O 707718687 HEXGNRSNYPJLMS-SSDLBLMSSA-N 270.241 -0.855 10 10 CBCE CO[C@H]1CNC[C@@H]1S(=O)(=O)NCc1ccccc1O 722218986 ISFHGWARGRLZDW-RYUDHWBXSA-N 286.353 -0.202 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1F 1614606274 ISWXDJFQYOARQG-BMLSCUAFSA-N 287.207 -0.824 10 10 CBCE CN(C)CCCNC(=O)c1nnn(-c2ccc(N)cc2)n1 1857879228 ZKZWNPRQZRUWAC-UHFFFAOYSA-N 289.343 -0.074 10 10 CBCE O=C(N[C@]1(CO)C[C@H](O)C1)c1cc(O)c(O)c(O)c1 1889335752 XSQROZSGHOCYEY-OGXFKERWSA-N 269.253 -0.581 10 10 CBCE Nc1ccc(OCCNS(=O)(=O)CCO)cc1 2006291871 REPKPJRLXMTWDI-UHFFFAOYSA-N 260.315 -0.441 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCc1nn[nH]n1 2087724565 IURHUZOBCCSJAJ-UHFFFAOYSA-N 263.257 -0.488 10 10 CBCE N[C@@H]1CCOC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2087729225 LETPHZZFVQKFEI-ZJUUUORDSA-N 266.297 -0.127 10 10 CBCE NC[C@H]1C[C@@H](NC(=O)c2cc(O)nc(O)c2)CCO1 2097947296 WZJFMBDKAGVYJF-DTWKUNHWSA-N 267.285 -0.271 10 10 CBCE O=C(NCC1(CCO)CNC1)c1cc(O)nc(O)c1 2119213885 MVZNWZDLXRVZIV-UHFFFAOYSA-N 267.285 -0.805 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Cl 2136337984 CRBIFGCOVHKWGU-GRYCIOLGSA-N 290.722 -0.160 10 10 CBCE CN1C[C@H](O)[C@@H](N(CC(N)=O)Cc2ccc(N)cc2)C1 2156968502 DGXBCSKYWRYXIN-STQMWFEESA-N 278.356 -0.769 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)c(F)cc2[C@@H]1O 2161395227 ZANJKAMFQWJERJ-KJNMHVQDSA-N 282.271 -0.257 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NCc1cc2c(cc1O)OCO2 2174104606 VDXZVQWDABXRKO-PELKAZGASA-N 280.280 -0.147 10 10 CBCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1O 2183643796 UMXOMXHIACHXHU-ZEGGKSINSA-N 281.308 -0.244 10 10 CBCE NCCO[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188922152 GJQHXTXRNMMVGD-VIFPVBQESA-N 282.296 -0.007 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2C[C@@](N)(C(=O)O)C2)cc1 2191680467 VCPUGHXMIQBKAY-GMZHKTEUSA-N 279.296 -0.292 10 10 CBCE C[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2193547188 HZQOKKOZKULBRU-APPZFPTMSA-N 283.280 -0.019 10 10 CBCE COc1cccc(O)c1CN1C[C@H](O)[C@@H](O)[C@H]1C(=O)O 2200856937 DMNKAXZMSDGHEF-ZMLRMANQSA-N 283.280 -0.609 10 10 CBCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)C1CS(=O)(=O)C1 2218746371 PZEVXKDHYKHONN-YUMQZZPRSA-N 294.358 -0.066 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2219611361 ALENDPUIZPAFNA-GRYCIOLGSA-N 257.261 -0.263 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@H]3[C@@H](O)CO)cc21 2286225897 KSBAXSHDNUKXJV-WCFLWFBJSA-N 278.308 -0.372 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC([C@H](O)CO)C3)ccc21 2336781442 VKEWGWMAVXTQSR-VXGBXAGGSA-N 263.297 -0.572 10 10 CBCE N[C@@H](C(=O)NCCO)c1cc([N+](=O)[O-])ccc1O 83408398 USOAIRGBYSKGII-SECBINFHSA-N 255.230 -0.591 10 10 CBCE CCN(CC(N)=O)C[C@H](O)COc1ccc(N)cc1 231815218 IXGVWBJSRJTSBB-NSHDSACASA-N 267.329 -0.184 10 10 CBCE O=C(N[C@@]1(C(=O)O)CCNC1)c1ccc(O)c(O)c1 692866129 WSAYFZZHMYFPRZ-LBPRGKRZSA-N 266.253 -0.356 10 10 CBCE O=C(O)[C@@H]1COCCN(C(=O)c2cc(O)nc(O)c2)C1 700441221 YVMCAGDRJSZNMX-QMMMGPOBSA-N 282.252 -0.334 10 10 CBCE N[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1348714835 QWVZLWALCZCNBP-JTQLQIEISA-N 275.308 -0.206 10 10 CBCE COc1ccc(N2C[C@@H](N)C[C@H](C(N)=O)C2)c(N)c1 1876299789 UKZKFAUZLZSYAI-IUCAKERBSA-N 264.329 -0.084 10 10 CBCE Cn1ncnc1[C@](C)(NCCCN=[N+]=[N-])C(N)=O 1912156298 LYHXRPXNFCJCGC-SECBINFHSA-N 252.282 -0.194 10 10 CBCE CO[C@]1([C@H](NCCCN=[N+]=[N-])C(N)=O)CCOC1 1912170375 WHMUOSQLQKJBST-PSASIEDQSA-N 257.294 -0.064 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOC[C@@H]1O 1963565834 PRUCZLDNEJOVGK-CABZTGNLSA-N 267.281 -0.094 10 10 CBCE C[C@@H]([C@@](C)(NCCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2051100016 UNQCEQMQNXPWDQ-IONNQARKSA-N 277.350 -0.047 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)C1CS(=O)(=O)C1 2095901256 AQWGTGJCPPPAJR-LLVKDONJSA-N 282.321 -0.095 10 10 CBCE CNC1(C(N)=O)CN([C@@H](C)c2cc(O)ccc2O)C1 2109490272 BJRFXBHYIBJIPO-QMMMGPOBSA-N 265.313 -0.082 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC(CO)(C(=O)O)C1 2114364790 AWEIMGPGPAZXJU-UHFFFAOYSA-N 268.225 -0.988 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNC(=O)C2)cc1 2129769100 FJXZAOPQZBOPHL-NSHDSACASA-N 283.353 -0.033 10 10 CBCE O=C(N[C@@H]1CNCC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132347947 ALWDXVZXBXQARN-SFYZADRCSA-N 268.269 -0.744 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)C[C@H](O)C1 2132351624 YVLGZVGVEVDCGE-YUMQZZPRSA-N 269.253 -0.629 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN[C@H]2COC[C@@H]21 2132438698 XYKUTHVXFSKYJS-UWVGGRQHSA-N 264.281 -0.089 10 10 CBCE O=C(O)C1=C[C@H](O)[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2188067832 VGDXYYBAZZWTLS-SFYZADRCSA-N 280.236 -0.633 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C[C@H]1O 2188908556 DDKHTJKFDKMIPH-NBEYISGCSA-N 282.296 -0.369 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCNCCNCC1 2236202116 UXMBWBZBOPDMCC-UHFFFAOYSA-N 281.312 -0.562 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)NCc1ccc(N)cc1 63142085 MVNQQTUSWVCIJN-UHFFFAOYSA-N 292.382 -0.267 10 10 CBCE CCOC(=O)CNC(=O)[C@H](N)c1cccc(O)c1O 83496895 LDCXCPFGIRUHLQ-SNVBAGLBSA-N 268.269 -0.223 10 10 CBCE O=C1CC[C@@H](NC(=O)c2cccc(O)c2O)C(=O)N1 158739262 HMWGCUFSEBYUNJ-SSDOTTSWSA-N 264.237 -0.367 10 10 CBCE CCN(CC(N)=O)c1cc2c(cc1N)OCC(=O)N2 231813938 KFGDMWMDKIKHCY-UHFFFAOYSA-N 264.285 -0.089 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CONC2=O)cc1 393745684 NOUORGVEAHKGRU-VIFPVBQESA-N 251.242 -0.806 10 10 CBCE CC(=O)C(=O)COC(=O)CNC(=O)Cc1ccc(O)cc1 808512601 NBYPDFMHLCGKJZ-UHFFFAOYSA-N 293.275 -0.248 10 10 CBCE COc1cccc(CNC(=O)Cn2c(O)nnc2O)c1O 1630366602 RPVOWEWPOZEKSY-UHFFFAOYSA-N 294.267 -0.280 10 10 CBCE CN(CCN=[N+]=[N-])S(=O)(=O)C1CS(=O)(=O)C1 1912144122 OPNATTZMKQDKQX-UHFFFAOYSA-N 268.320 -0.645 10 10 CBCE Nc1ccc(CC(=O)N2CCS(=O)(=O)CCO2)cc1 2090271095 SFSTZXVNIXKEAL-UHFFFAOYSA-N 284.337 0.000 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CNCC[C@H]1O 2126890064 UAAGDERQWGWPHX-VHSXEESVSA-N 266.297 -0.521 10 10 CBCE NC1CN([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)C1 2158745428 BUVFYJSGLFFUJE-JTQLQIEISA-N 277.324 -0.045 10 10 CBCE COc1cccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)c1O 2177945634 UMYMRZNPRGNAPS-JYILRKAJSA-N 283.324 -0.407 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@H](N)[C@H]3CCO[C@H]32)cc1 2191634447 LONVTIZUKBMDOO-FDYHWXHSSA-N 297.380 -0.197 10 10 CBCE Cc1cccc(CNC(=O)[C@@H](N)C2CS(=O)(=O)C2)c1O 2204621884 HASINRPQWIOXFA-NSHDSACASA-N 298.364 -0.311 10 10 CBCE Nc1cc2c(cc1N1CC(O)(CCO)C1)NC(=O)CO2 2286174702 VBRSCRCCGBPEJP-UHFFFAOYSA-N 279.296 -0.467 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1 2333237661 PRNOCXIDIYHPLW-WZRBSPASSA-N 268.288 -0.287 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@H]3CO)ccc2[C@H]1O 2335175071 SHDIPTHPKZJOBN-HOTUBEGUSA-N 264.281 -0.396 10 10 CBCE [N-]=[N+]=NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 4822357 SKWSYTVBPHWKHX-HUEBKHCJSA-N 292.259 -0.662 10 10 CBCE CC[C@H](N)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486853 SZSULUONVPYCSI-DTWKUNHWSA-N 282.296 -0.053 10 10 CBCE NC(=O)CN(CC(N)=O)C(=O)CCc1ccc(N)cc1 61805726 YEUHBWXUCWTZPM-UHFFFAOYSA-N 278.312 -0.999 10 10 CBCE CNS(=O)(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 126354585 VLFWWFSWIJZVKC-SSDOTTSWSA-N 290.297 -0.853 10 10 CBCE NC(=O)C[C@H](N)C(=O)NCCc1ccc(N)cc1 169817189 VIWKINHZRDHOBG-JTQLQIEISA-N 250.302 -0.870 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H]2CNC(=O)CN2)cc1 230886144 CERBQBRUKPLMBI-LBPRGKRZSA-N 276.340 -0.543 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@H](O)C1)CCC(=O)N2 236364355 VBBCLSGUXZFZSF-TXEJJXNPSA-N 263.297 -0.305 10 10 CBCE NCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(F)c1 387010661 QVGXJRNWQPCFST-IUCAKERBSA-N 263.272 -0.007 10 10 CBCE O=C(NCCc1nc(=O)o[nH]1)c1ccc(O)c(O)c1 392268255 ZBRFCNVECZAOLF-UHFFFAOYSA-N 265.225 -0.253 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 723198960 NGHYYAQCHQKTGY-GGZOMVNGSA-N 276.340 -0.271 10 10 CBCE NC(=O)C1(C(=O)NCc2c(O)cccc2O)CC1 1304053486 MESDPCMPUWZMHS-UHFFFAOYSA-N 250.254 -0.021 10 10 CBCE NS(=O)(=O)CCCC(=O)NCc1cc(O)ccc1O 1593882073 QCFLFEXOWCKTSE-UHFFFAOYSA-N 288.325 -0.217 10 10 CBCE COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(N)=O 1623266667 NRPPAUDHRCYVKF-QMMMGPOBSA-N 268.269 -0.743 10 10 CBCE NC(=O)C1(O)CN(C(=O)Nc2ccc(N)cc2)C1 1915245882 ZYCBWYFDZBSSOL-UHFFFAOYSA-N 250.258 -0.667 10 10 CBCE COc1cccc(CN2CC(=O)NC[C@H]2C(=O)O)c1O 1963442563 YJJHJAMJFQXNSH-VIFPVBQESA-N 280.280 -0.214 10 10 CBCE N[C@@H]1COC[C@@H]1CNC(=O)c1cccc(O)c1O 2036569444 VBFAYLCBOKEIDC-IONNQARKSA-N 252.270 -0.199 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC(O)(CO)C3)ccc21 2115314954 WLIXDWNUUYJILC-NSHDSACASA-N 263.297 -0.557 10 10 CBCE COC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132349088 YEQMMLUNRXIESP-ZCFIWIBFSA-N 271.225 -0.367 10 10 CBCE O=C(N[C@@H](C(=O)O)C1(O)CCC1)c1cc(O)nc(O)c1 2188012132 DYEFVNXIOLBMFH-VIFPVBQESA-N 282.252 -0.409 10 10 CBCE COc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@H]32)c(N)c1 2191616608 UXVAGVUDIGUJCB-DGCLKSJQSA-N 297.380 -0.147 10 10 CBCE CN(Cc1ccccc1O)c1nn(C)c(=O)n(C)c1=O 2192601589 ZETPGOOKVYOXMD-UHFFFAOYSA-N 276.296 -0.179 10 10 CBCE N=c1nnc(OC[C@@]2(C(F)(F)F)CCNC2)n[nH]1 2219022019 QMZFZIUUFLASGC-SSDOTTSWSA-N 264.211 -0.400 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC([C@H](O)CO)C1 2315160480 BIZPBBYFHNKJBF-LLVKDONJSA-N 253.254 -0.477 10 10 CBCE O=C(O)[C@@H](O)CN1CCc2cc(O)c(O)cc2C1 2318661030 YSIQOXOAMMCPAN-NSHDSACASA-N 253.254 -0.099 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(C)c1 2332923230 OIDMQJDOLFCBFS-MJBXVCDLSA-N 266.341 -0.383 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNC(=O)C2)cc1 20565666 QMMDZVBCKBYKJH-UHFFFAOYSA-N 269.326 -0.470 10 10 CBCE COc1ccc(N2CCN(C(=O)CNN)CC2)cc1 84638999 BERHNHGBKPZAPW-UHFFFAOYSA-N 264.329 -0.193 10 10 CBCE NC[C@H]1C(=O)NCCN1c1ccc2c(c1)OCCO2 216975162 KPZMEFLOQROXIW-JTQLQIEISA-N 263.297 -0.279 10 10 CBCE O=C([C@H]1CNc2ccccc2N1)N1C[C@H](O)[C@H](O)C1 229886160 UPMDZERGDLADTL-UTUOFQBUSA-N 263.297 -0.543 10 10 CBCE O=C(CN1C[C@@H](O)[C@H](O)C1)c1ccc(O)c(O)c1 236526405 NBINEICSFMXOIM-VXGBXAGGSA-N 253.254 -0.682 10 10 CBCE NC(=O)[C@@]1(O)CCN(CCOc2ccc(N)cc2)C1 389194126 PKYDDZBXFBEKCT-CYBMUJFWSA-N 265.313 -0.430 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COCC[C@@H]2O)cc1 710860350 XNQNTBPCGGJOJI-RYUDHWBXSA-N 266.297 -0.086 10 10 CBCE CN[C@H]1CCOC[C@H]1NC(=O)c1cc(O)nc(O)c1 721624760 RYGGDYRCIWDIKM-DTWKUNHWSA-N 267.285 -0.401 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@H]2C[C@@H]21 2068616087 WRTJECMCWCMFHF-YUMQZZPRSA-N 250.254 -0.010 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CNC[C@H]2O)cc1 2071847371 DXYTWAYVAFZDCN-GHMZBOCLSA-N 251.286 -0.904 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N 2089911147 MUFZRLGRRQHKHS-UWVGGRQHSA-N 265.313 -0.189 10 10 CBCE CN(C)c1ccc(CNC(=O)C2(CO)CNC2)cc1 2114530380 JRLJDLQSSCAUPY-UHFFFAOYSA-N 263.341 -0.049 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)[C@@H](O)[C@H]1CF 2140657998 KFAATIUUPQSYJQ-HDBBIHSSSA-N 271.244 -0.387 10 10 CBCE COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](C)O 2144030154 ZBWXPEWSDPXCBG-MADCSZMMSA-N 283.280 -0.321 10 10 CBCE CN[C@@H]1CCc2cc(N(CC(N)=O)CC(N)=O)ccc21 2184724568 BOVBYJRTBMVYAW-GFCCVEGCSA-N 276.340 -0.330 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@H]21 2201310974 KPORANXNCINUKT-ZSBIGDGJSA-N 295.364 -0.238 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(CO)c1 2227675866 NBTYHUVVAKQUID-FRRDWIJNSA-N 269.297 -0.910 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2234107316 QMXBAZQGZZMKEQ-JSGCOSHPSA-N 280.324 -0.872 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2CN[C@H](CO)[C@H]2C1 2235550551 SVOOLTUBARRGLL-INTQDDNPSA-N 278.308 -0.250 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1CCNC(=O)[C@H]1C(N)=O 2240835347 BUWFUJUIXOWLMK-JOYOIKCWSA-N 277.324 -0.162 10 10 CBCE Nc1ccc(NC(=O)CN2CC([C@H](O)CO)C2)cc1 2336770938 GQJXFUNZURHURN-GFCCVEGCSA-N 265.313 -0.508 10 10 CBCE Nc1cc2c(cc1N1CCNC(=O)C1)NC(=O)CO2 35452659 MFHVGBFWPVZBGD-UHFFFAOYSA-N 262.269 -0.464 10 10 CBCE NCC[C@@H](O)C(=O)NCc1cc([N+](=O)[O-])ccc1O 83512650 IAVKTRHBJADLSE-SNVBAGLBSA-N 269.257 -0.374 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCC(O)(CO)CC3)ccc21 313927391 WNPZWIRVUQTNLJ-GFCCVEGCSA-N 277.324 -0.038 10 10 CBCE NCc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(F)c1 386045896 AXKHOOHWBQYVGJ-LBPRGKRZSA-N 253.277 -0.289 10 10 CBCE CN1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C(=O)O 687291163 BUNJWKXZFOFTSH-VIFPVBQESA-N 280.280 -0.061 10 10 CBCE COC(=O)C1(O)CN(C(=O)c2ccc(C)c(O)c2O)C1 1643299574 IFYPHEXUKLEFJE-UHFFFAOYSA-N 281.264 -0.234 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1[C@@H]1CS(=O)(=O)C[C@H]1O 1908071006 TVCFFOGZKQBGBL-DJLDLDEBSA-N 260.319 -0.081 10 10 CBCE CN(C(=O)CN1CC(N=[N+]=[N-])C1)[C@@H]1CCS(=O)(=O)C1 1912152573 VTXPFAIPWHWVJD-SECBINFHSA-N 287.345 -0.374 10 10 CBCE N[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2032625413 TYJRGUOEUYJAEE-BDAKNGLRSA-N 252.270 -0.517 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2COC[C@H]2O)cc1 2097825466 WIUCRCNKSGPOMH-CMPLNLGQSA-N 286.353 -0.305 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@H]2COC[C@@H]21 2102187939 COZUJEZAULFALE-AUTRQRHGSA-N 265.265 -0.071 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCNC(=O)C12CC2 2132031783 HZCWSDNWOMBBNI-UHFFFAOYSA-N 263.253 -0.403 10 10 CBCE O=C1NCC2(CN(c3ccc(CO)cc3[N+](=O)[O-])C2)N1 2177667945 FRVPRWGHCQCPRY-UHFFFAOYSA-N 278.268 -0.041 10 10 CBCE C[C@H]1CNC(=O)CN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2181160417 CFCWCKZZUZLRMD-ISVAXAHUSA-N 274.324 -0.013 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1Cc1ccc(O)c(O)c1 2201091317 NMCDDVPABUMRFN-ADEWGFFLSA-N 283.280 -0.522 10 10 CBCE CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 49101050 CKJHKWVCQPGUER-CBAPKCEASA-N 281.312 -0.782 10 10 CBCE NC(=O)[C@@H]1COCCN1Cc1cc(N)ccc1O 129325417 HPASSBRGTAHTLB-JTQLQIEISA-N 251.286 -0.340 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1[C@H](C)C(=O)Nc1ccc(N)cc1 252675115 WXOJNKSSSPGANR-RKDXNWHRSA-N 290.323 -0.057 10 10 CBCE C[C@@H](N)c1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1O 388899719 KUOJCTZICGFFNQ-OQPBUACISA-N 265.313 -0.162 10 10 CBCE CN(C(=O)CN1C[C@@H](O)C[C@@H]1CO)c1ccc(N)cc1 698112708 DMMUAFMNDRCPHY-OLZOCXBDSA-N 279.340 -0.341 10 10 CBCE COCCNCCNS(=O)(=O)Cc1ccc(N)cc1 1876418176 VGRMCYGHOJEBEY-UHFFFAOYSA-N 287.385 -0.076 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COC[C@H]2N)cc1 2071694353 IHGAPFORMXSYCY-MNOVXSKESA-N 251.286 -0.510 10 10 CBCE Nc1ccc(OCCNC(=O)[C@H]2CCS2(=O)=O)cc1 2094323547 DSQCERVIJJCUFK-LLVKDONJSA-N 284.337 -0.049 10 10 CBCE CN(C)c1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)cc1 2108829944 GXJFRSNDDWKEFZ-RQJABVFESA-N 266.341 -0.303 10 10 CBCE N=c1nnc(OC[C@@H]2CCC3(CCC3)CN2)n[nH]1 2219012881 MCEDKSLXOBHPEB-QMMMGPOBSA-N 250.306 -0.020 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@@H]2[C@H](O)CO)cc1 2270714951 NBMTYHMYQWIBFQ-VXGBXAGGSA-N 265.313 -0.365 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2CS(=O)(=O)[C@H]2C1 2336481112 WQUSQPLSGCOCAX-KWQFWETISA-N 283.305 -0.033 10 10 CBCE CCNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40461629 OYFOUUUXBXHSGV-WPRPVWTQSA-N 295.339 -0.392 10 10 CBCE CN(CC(=O)N1CCNCC1)C(=O)c1cccc(O)c1O 126094945 CJAPRHGNEKJIAP-UHFFFAOYSA-N 293.323 -0.398 10 10 CBCE C[C@@H](O)CN(CCO)C[C@H](O)COc1ccc(N)cc1 313590587 ZIBUKLJVTXDYBV-YPMHNXCESA-N 284.356 -0.316 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 387160308 LLZYIHXZMWPGGW-GHMZBOCLSA-N 273.292 -0.458 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOC[C@H]1CCO 694906815 PNVLESMDBSBZGX-SECBINFHSA-N 268.269 -0.284 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 808539774 JINOGXFOJAVLGC-RKDXNWHRSA-N 255.270 -0.021 10 10 CBCE C[C@@H](O)[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 2027478076 FAEDETOFMHWXQE-VXNVDRBHSA-N 255.270 -0.502 10 10 CBCE O=C(N[C@@H]1CNCCSC1)c1cc(O)nc(O)c1 2036049124 MBRYAZHIFFOABN-MRVPVSSYSA-N 269.326 -0.072 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)C[C@@H](O)C1 2132349115 YVLGZVGVEVDCGE-HTQZYQBOSA-N 269.253 -0.629 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2136288305 UXYGLOCUHWZVEZ-KOCKLMIUSA-N 271.288 -0.218 10 10 CBCE C[C@@]1(CO)CNCCN1C(=O)Cc1ccc(O)c(O)c1 2144030223 MJPGYJQGWFHJCC-AWEZNQCLSA-N 280.324 -0.177 10 10 CBCE CN1C[C@H](O)[C@@H](NC(=O)[C@H]2CNc3ccccc3N2)C1 2146526645 WLSHRMCDOZUDPG-AGIUHOORSA-N 276.340 -0.316 10 10 CBCE Nc1ccc(O)c(CN2CC[C@@]3(C2)NC(=O)NC3=O)c1 2170607745 RHHNOFQMQGNOMR-ZDUSSCGKSA-N 276.296 -0.242 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O)c1c(O)cccc1O 2177943295 FRMKCYHMSNLRCA-XVIPMVIXSA-N 283.324 -0.149 10 10 CBCE NC[C@@H]1COCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2193252634 IQKRIOIEHSKVSM-RKDXNWHRSA-N 282.296 -0.103 10 10 CBCE CN(C)c1ccc(OC[C@]2(O)CNC[C@H]2O)cc1 2221878786 LXXHUCVSBGHQRV-CHWSQXEVSA-N 252.314 -0.173 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(C=O)c1 2235988494 UTSYKRXHYWEVCW-KBPBESRZSA-N 281.308 -0.198 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@@H]2[C@H](O)CO)cc1 2286214065 OQJMHHBJHHONQB-CHWSQXEVSA-N 280.324 -0.008 10 10 CBCE CNCCN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 70304848 FRFYOXCBZPXION-JTQLQIEISA-N 267.329 -0.355 10 10 CBCE Nc1ccc(OCCN2C[C@@H](O)[C@@H](CO)C2)cc1 316085981 JFCBGBOQDTZCJI-ZWNOBZJWSA-N 252.314 -0.067 10 10 CBCE C[C@H]1OCCN(C(=O)c2cc(O)nc(O)c2)[C@H]1C(=O)O 328108438 IPTWMLSMQZVBCE-LHLIQPBNSA-N 282.252 -0.193 10 10 CBCE CNC(=O)CS(=O)(=O)CC(=O)Nc1ccc(N)cc1 388635479 IZNOEAJTTHEZAH-UHFFFAOYSA-N 285.325 -0.632 10 10 CBCE C[S@](=O)CCN(CC(N)=O)Cc1ccc(N)cc1 400606640 KHIQUPQFVVJSDY-SFHVURJKSA-N 269.370 -0.065 10 10 CBCE O=C(NC[C@H]1CNC[C@@H]1O)c1ccc(O)c(O)c1 702849364 BKHRLBRZYNUKQC-KCJUWKMLSA-N 252.270 -0.592 10 10 CBCE CN(CCCN=[N+]=[N-])CCS(=O)(=O)CCC(N)=O 1912210362 IOAVGWZZMPHSNG-UHFFFAOYSA-N 277.350 -0.091 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)cc1 2166791128 OWQYLRRVOHURNW-UWJYBYFXSA-N 275.308 -0.457 10 10 CBCE Nc1ccc(NC(=O)N2CCN(CCO)C(=O)C2)cc1 2171078271 VZTSNNIYDXCDNX-UHFFFAOYSA-N 278.312 -0.063 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2CN[C@H](CO)[C@@H]2C1 2235550552 SVOOLTUBARRGLL-JMJZKYOTSA-N 278.308 -0.250 10 10 CBCE O=C(N[C@@H](CCO)C(=O)O)c1cc(O)nc(O)c1 40697021 VABPXEOMEJGRBM-LURJTMIESA-N 256.214 -0.942 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CC(O)C1 91426445 YEWJZSDHPUXZAG-RTBKNWGFSA-N 266.297 -0.393 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@H](N)[C@H](CO)C2)cc1 1876483402 PGDUTPBRJMXTSR-AAEUAGOBSA-N 263.341 -0.021 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@@H](CCO)C1 1971149267 AGGLQZBRSUWDGB-NSHDSACASA-N 280.324 -0.177 10 10 CBCE Cc1cc(N2CC3(C2)OC[C@H](O)[C@H]3O)ccc1CO 2127264054 LITJCFIHWMBEJF-QWHCGFSZSA-N 265.309 -0.202 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2160717218 RAVPMGRMPWEUKH-MGNUUCGSSA-N 277.324 -0.367 10 10 CBCE C[C@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(F)c1 2184131110 JGHMHCWCHMDSKP-CPCISQLKSA-N 281.287 -0.331 10 10 CBCE O=C(NCC1(C(=O)O)CC(O)C1)c1cc(O)nc(O)c1 2188011819 CZLKOGSQRQKXPF-UHFFFAOYSA-N 282.252 -0.552 10 10 CBCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CN 2188910615 WBSFFWUXGMOCLR-VIFPVBQESA-N 281.312 -0.482 10 10 CBCE NC[C@H]1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CO1 2188917597 YDMXXKNNBJUTSF-VXNVDRBHSA-N 282.296 -0.103 10 10 CBCE Cn1cc(S(=O)(=O)NCCc2ccc(N)cc2)c(=N)[nH]1 2191641940 FIWAAEVZKCQCKP-UHFFFAOYSA-N 295.368 -0.064 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@H]1CNC[C@@H]1O 234310547 UURZMDBUEIZSAY-WPRPVWTQSA-N 252.270 -0.498 10 10 CBCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1O 395339625 YTVJQLXONZGEPJ-GHMZBOCLSA-N 253.254 -0.071 10 10 CBCE Cc1ccc(C(=O)N2CC3(C2)NC(=O)NC3=O)c(O)c1O 1457163293 UPAVTZPWYAZCIW-UHFFFAOYSA-N 291.263 -0.560 10 10 CBCE CNS(=O)(=O)NCC(=O)N[C@@H](C)c1ccccc1O 1643745370 MOIOPGZKYOAYLJ-QMMMGPOBSA-N 287.341 -0.377 10 10 CBCE NC(=O)C1(O)CN(c2ccc(CNC3CC3)cc2)C1 1915250760 UQEWIBOXFSWMIK-UHFFFAOYSA-N 261.325 -0.025 10 10 CBCE Oc1cccc(Cl)c1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2046513830 IWMWNXOKOXIIGN-NUGNTBJXSA-N 273.716 -0.010 10 10 CBCE O=[N+]([O-])c1cc(N2CC(O)(CO)C2)ccc1CO 2068303663 KBEUJSKNCVFXDY-UHFFFAOYSA-N 254.242 -0.370 10 10 CBCE CN(C)C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868815 XJBHFSVXIOLNFT-SSDOTTSWSA-N 284.268 -0.452 10 10 CBCE N=c1nnc(OC[C@]2(CN)C[C@H]2C(F)(F)F)n[nH]1 2219017645 OKAIFKRRHPNDLM-CLZZGJSISA-N 264.211 -0.415 10 10 CBCE CSc1ncc(CNC[C@@H]2NC[C@H](O)[C@@H]2O)s1 2248730304 WULQWSJWPXWIEB-XHNCKOQMSA-N 275.399 -0.352 10 10 CBCE Nc1cc2c(cc1N1C[C@@H]3C[C@H]1[C@H](O)[C@@H]3O)OCCO2 2354474224 KUOFTNQTNHNSRF-ZXVPCKTCSA-N 278.308 -0.030 10 10 CBCE COCCCN/C=C1/C(=O)N=C(S)N(C)C1=O 103117996 QTVVZEQVVMZKJG-SREVYHEPSA-N 257.315 -0.219 10 10 CBCE C[C@@H](CO)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 122381267 SAWZNJWRUJHOAB-WPRPVWTQSA-N 268.313 -0.193 10 10 CBCE CN1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1CO 687608743 ZVVCPMIGIIPTMA-CYBMUJFWSA-N 263.341 -0.054 10 10 CBCE Nc1ccc(-n2nnc(C(=O)N3CCCNCC3)n2)cc1 1857878464 CQBNNFQYNBXRCC-UHFFFAOYSA-N 287.327 -0.320 10 10 CBCE COC[C@@](O)(CO)CNC(=O)Nc1ccc(N)cc1 1876152356 DWHCWTORHSRNPK-LBPRGKRZSA-N 269.301 -0.240 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](N)C[C@@H](O)C2)cc1 1876437445 IFJFUJKRFKPGAU-WDEREUQCSA-N 265.313 -0.432 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCNC[C@H]1CO 1876461082 JRZDKJRUFNYDKH-GZMMTYOYSA-N 264.329 -0.250 10 10 CBCE O=C1C[C@@H](c2cc(O)c(O)c(O)c2)[C@@H](C(=O)O)C(=O)N1 1951736670 SASVCIRMTOPBNA-SSDLBLMSSA-N 281.220 -0.366 10 10 CBCE [N-]=[N+]=NCCCNS(=O)(=O)N1CCC[C@@H]1CO 1998667349 VBKMMVUTYFSBJV-MRVPVSSYSA-N 263.323 -0.022 10 10 CBCE O=C1NCC2(CN(C(=O)c3cc(O)nc(O)c3)C2)N1 2121209511 RIZDDTAPNDUBCI-UHFFFAOYSA-N 264.241 -1.000 10 10 CBCE O=C(O)[C@@H]1[C@H]2OCCN(C(=O)c3cc(O)nc(O)c3)[C@H]12 2149279092 DOQSETWCTLGCQL-IVZWLZJFSA-N 280.236 -0.583 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H](F)C1(O)CNC1 2172260782 RTHMVQUCHGTIPW-LLVKDONJSA-N 284.287 -0.571 10 10 CBCE CN[C@H](C)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2184142280 XXWXFNBMEMUPJJ-SKDRFNHKSA-N 276.340 -0.243 10 10 CBCE CO[C@@H]1[C@@H](N)C[C@@H]1NC(=O)c1ccc(O)c(O)c1 2258687642 QDHVODHZQUNGLA-DKCNOQQISA-N 252.270 -0.058 10 10 CBCE Cn1[nH]c(=O)c(=O)nc1Sc1ncc(C(=N)N)s1 2264132855 MLQSUZLUSFABBG-UHFFFAOYSA-N 284.326 -0.640 10 10 CBCE CN[C@@H]1CCOC[C@@H]1NC(=O)c1cc(O)nc(O)c1 721624759 RYGGDYRCIWDIKM-BDAKNGLRSA-N 267.285 -0.401 10 10 CBCE CC(=O)C(=O)COC(=O)[C@](C)(O)Cn1c(C)cccc1=O 808546408 LSOMXASJKUCMPC-CQSZACIVSA-N 295.291 -0.391 10 10 CBCE O=C(NCc1ccccc1O)[C@@H](F)C1(O)CNC1 2052202656 XGSJCSFXNMDKRU-SNVBAGLBSA-N 254.261 -0.319 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2080937043 BNCMSSBVQCCQQL-ZBPZKIAKSA-N 253.298 -0.357 10 10 CBCE O=C(NC1([C@H](O)CO)CC1)c1cc(O)c(O)c(O)c1 2133598870 GEDREQLYSJYCHI-SECBINFHSA-N 269.253 -0.581 10 10 CBCE NC(=O)[C@@]1(O)CCN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188574160 PDPWJYTYRAZLMI-GFCCVEGCSA-N 281.268 -0.486 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](CO)[C@@H](CO)C1 2188867910 IZOIRTKKXFBFHM-DTORHVGOSA-N 283.280 -0.524 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2273651385 NXPDWOHKHYYHMJ-UBHSHLNASA-N 266.341 -0.396 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2329330223 GHGXOTZFOOKJPU-JDYBYMESSA-N 266.253 -0.941 10 10 CBCE CNC(=O)[C@@H](C)N(CC(N)=O)Cc1ccc(N)cc1 35366656 IZASOWHKNXZIRJ-SECBINFHSA-N 264.329 -0.309 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@H]1CO 170190569 HIQGMSWWUFVCNR-MRVPVSSYSA-N 269.253 -0.363 10 10 CBCE O=CN1CCN(C(=O)c2cc(O)nc(O)c2)CC1 170223466 YHBRLOCEWSDUMX-UHFFFAOYSA-N 251.242 -0.593 10 10 CBCE CN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1CN 687611771 HLLMPRHEWIILBL-VIFPVBQESA-N 265.313 -0.187 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1Cl 693402008 WQIKJBCOFPLKMG-NXEZZACHSA-N 296.758 -0.178 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 707269036 ASBDGDFQYZVGAO-NSHDSACASA-N 299.352 -0.463 10 10 CBCE CN(C)C[C@H](O)CNC(=O)c1cccc(O)c1O 717411290 DUIXXKPIUKRPDW-MRVPVSSYSA-N 254.286 -0.250 10 10 CBCE O=C1CC[C@H](NC(=O)c2cc(O)cs2)C(=O)N1 764874292 BZVROUBMPGWCDV-LURJTMIESA-N 254.267 -0.011 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CC(CO)C2)cc1 2031689600 TWYGXJIRLZNLHM-LBPRGKRZSA-N 252.314 -0.067 10 10 CBCE NC[C@H]1COC[C@@H]1Nc1c(N)cccc1C(N)=O 2071688701 OFAPMAZKWBQVNU-XVKPBYJWSA-N 250.302 -0.247 10 10 CBCE CN(C)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 2146133889 YJSRUCNKRDXZOF-GWCFXTLKSA-N 280.324 -0.226 10 10 CBCE Nc1ccc(NC(=O)CN2CCS(=O)(=O)CCO2)cc1 2146461809 YIEBZKOOXPIWNG-UHFFFAOYSA-N 299.352 -0.131 10 10 CBCE CCn1nnc(CNC(=O)COc2ccc(N)cc2)n1 2197863622 SQKBTBBABUCQFV-UHFFFAOYSA-N 276.300 -0.030 10 10 CBCE C[C@H](O)CN(CCN)C(=O)c1cc(O)nc(O)c1 2257703764 CHPISJDXWABCTH-ZETCQYMHSA-N 255.274 -0.726 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2357591817 AHUOOKKBSWYJTF-IVYYIHNJSA-N 280.280 -0.551 10 10 CBCE CO[C@H]1COCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 386905973 ZLHZVERRBMYCSG-WCBMZHEXSA-N 257.294 -0.064 10 10 CBCE CO[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)C[C@H]1O 396004378 GDMAKMMTFXFKIA-IACUBPJLSA-N 282.340 -0.300 10 10 CBCE O=C(NCCc1nc(=O)o[nH]1)c1c(F)ccc(O)c1O 1654530612 BYLOKVKNMLJOGT-UHFFFAOYSA-N 283.215 -0.114 10 10 CBCE O=C1Nc2cc(N3CCC3(CO)CO)ccc2[C@H]1O 1879987027 OXFVVPKYJXLWAF-LLVKDONJSA-N 264.281 -0.394 10 10 CBCE NCc1ccc(N2CC(OCC(N)=O)C2)c(F)c1 2028709735 GEYIBAMAAXSNIM-UHFFFAOYSA-N 253.277 -0.025 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NN1CCNCC1 2028924940 UXSSPHRRGQRRBA-UHFFFAOYSA-N 251.286 -0.423 10 10 CBCE O=C(c1cccc(O)c1O)N1CCNC[C@H]1CO 2034687673 YMNUKEFIYORMMX-QMMMGPOBSA-N 252.270 -0.496 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC(O)(C(F)F)C1 2052063396 NEMRCVPBYMRBFE-UHFFFAOYSA-N 260.196 -0.055 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1COC[C@@H]1O 2087722151 HQTBWHQZDPCKDG-SKDRFNHKSA-N 267.281 -0.142 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1CO 2122372865 BADNAYVITPRQHJ-VXNVDRBHSA-N 267.285 -0.726 10 10 CBCE O=C(NCc1nc(O)n[nH]1)c1cc(O)c(O)c(O)c1 2132349945 IUKVDNWNYNFNQK-UHFFFAOYSA-N 266.213 -0.443 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@H](O)[C@H](N)C2)cc1 2191635414 QPHSPXJQYCSGAK-RTXFEEFZSA-N 299.396 -0.214 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CO[C@H]3CNC[C@@H]23)cc1 2191731153 PXANNZWUPCNPJJ-XQQFMLRXSA-N 277.324 -0.249 10 10 CBCE COc1cc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1CO 2204547057 HJYPSFOMYLYYEX-GHMZBOCLSA-N 276.292 -0.104 10 10 CBCE NC(=O)[C@H]1CNCCN1Cc1ccc(O)c(O)c1 88659105 KCWAOWQUCWTGAI-SECBINFHSA-N 251.286 -0.643 10 10 CBCE COCCN(CCO)C[C@@H](O)COc1ccc(N)cc1 164206751 PJJVIPAMCVMCHJ-CYBMUJFWSA-N 284.356 -0.051 10 10 CBCE C[C@@](O)(CNC(=O)c1ccc(O)c(O)c1)C(=O)O 235393365 APSUNSNMVRYIKT-LLVKDONJSA-N 255.226 -0.337 10 10 CBCE COc1ccc(CNC(=O)Cn2nnc(N)n2)c(O)c1 1139032263 KDDFXJJIQGZYST-UHFFFAOYSA-N 278.272 -0.714 10 10 CBCE O=C(NCc1cccc(O)c1O)C1CS(=O)(=O)C1 1153798293 ONLRTWHRLFSHSV-UHFFFAOYSA-N 271.294 -0.241 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)N1CC(O)C1 1912147333 XHAQBXFPTDXILG-SSDOTTSWSA-N 261.307 -0.318 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1COCCN1 1968739528 RUCAIZBFGIHWFM-SNVBAGLBSA-N 266.297 -0.255 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@@H](O)[C@H](CO)C2)ccc1CO 2132058021 LFPGFQSNPREKOM-JOYOIKCWSA-N 268.269 -0.124 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)cc1 2177947856 IHCDOHRQDIQMSW-KPQFEUGASA-N 281.312 -0.507 10 10 CBCE Cc1cccc(CNC(=O)[C@]2(O)CCNC[C@H]2O)c1O 2204622824 JFCCUHFBLMCDAJ-RISCZKNCSA-N 280.324 -0.598 10 10 CBCE N=c1nnc(OC[C@@H]2CNC[C@@H]2C(F)(F)F)n[nH]1 2219017565 NJWHIEVXFYRPBD-WHFBIAKZSA-N 264.211 -0.544 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(CN)c1 2227681245 AVXWAFWAOXVEHA-AVGNSLFASA-N 268.313 -0.943 10 10 CBCE Cc1cc([C@@H](C)N)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CO 2232102841 QSTXXHLHNVGECQ-HYNSBDGHSA-N 266.341 -0.083 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CO)c(OC)c1 2233880898 ZOBDXETXIZCSAK-YRGRVCCFSA-N 283.324 -0.256 10 10 CBCE Cn1nc(NCCOc2ccc(N)cc2)c(=O)n(C)c1=O 38079702 JFEHXBREGCDXJI-UHFFFAOYSA-N 291.311 -0.448 10 10 CBCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1/C=C/C(=O)O 61808371 POHJJZJSGVMBOU-HWKANZROSA-N 291.307 -0.130 10 10 CBCE O=C(O)CNC[C@@H]1NCCc2c1ccc(O)c2O 75794089 HJXKWRWJZDNFTQ-VIFPVBQESA-N 252.270 -0.041 10 10 CBCE COC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 159396881 LQXIXLKTWMPYQV-BDAKNGLRSA-N 298.295 -0.817 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1 396864550 SWPWCDDJIRSBNT-MFKMUULPSA-N 280.324 -0.151 10 10 CBCE NC(=O)[C@@H]1CN(CCc2ccc(N)cc2)C[C@@H]1C(N)=O 693429620 SNQFSBGUGMRNRP-TXEJJXNPSA-N 276.340 -0.670 10 10 CBCE CN1CCN(CC(=O)c2ccc(O)c(O)c2)[C@@H](CO)C1 699525474 XYIVFHMQQGAHNT-LLVKDONJSA-N 280.324 -0.111 10 10 CBCE CC[C@H](CO)NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878973 QOFQAKUOBCPJOY-SECBINFHSA-N 276.300 -0.255 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 1876404171 SGJOUKHGOVLQPM-NWDGAFQWSA-N 285.369 -0.508 10 10 CBCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)N2CC[C@@H](O)C2)C1 1912155363 KTJLBFWPOGREER-RKDXNWHRSA-N 275.334 -0.070 10 10 CBCE CN1CCO[C@H](C(=O)Nc2ccc(O)c(O)c2)C1=O 2062249255 FYWCIVVCQHXOEX-SNVBAGLBSA-N 266.253 -0.107 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CNC[C@H]2O)cc1 2071847374 DXYTWAYVAFZDCN-WDEREUQCSA-N 251.286 -0.904 10 10 CBCE Nc1ccc(O)c(CN2CC3(CNS(=O)(=O)C3)C2)c1 2119569576 BVJLQADDBBJCKY-UHFFFAOYSA-N 283.353 -0.291 10 10 CBCE Cn1cnc(CCNC(=O)c2cc(O)c(O)c(O)c2)n1 2188876240 ZAZCKEZGBGMPMB-UHFFFAOYSA-N 278.268 -0.096 10 10 CBCE CNC[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188920103 SIJFXAOUIURTJO-VIFPVBQESA-N 282.296 -0.136 10 10 CBCE COc1cc(C(=O)NC(CCN)CCN)cc(OC)n1 2205706269 CHMXZYVVTYGBMR-UHFFFAOYSA-N 282.344 -0.105 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOC2(CNC2)C1 2272932283 XVBIJOAZRMRNHA-UHFFFAOYSA-N 265.269 -0.693 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 3800740 KPKVPJGVOIXZJY-SNVBAGLBSA-N 261.281 -0.267 10 10 CBCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 40471859 MBIIUMDOQSMHKJ-XPUUQOCRSA-N 268.269 -0.443 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1CC(=O)Nc1ccc(N)cc1 97290110 MLHABAIGXIBFRS-MRVPVSSYSA-N 276.296 -0.446 10 10 CBCE O=C(CN1CCC(=O)NC1=O)NCc1cccc(O)c1O 1303193318 KBJCBGRLBSBUGR-UHFFFAOYSA-N 293.279 -0.344 10 10 CBCE COC(=O)[C@H](N)CCNC(=O)c1ccc(O)c(O)c1 2088536146 FTVSIIZCTCUWHX-MRVPVSSYSA-N 268.269 -0.282 10 10 CBCE OC[C@@H]1C[C@H](NCc2cccc(F)c2O)[C@H](O)[C@H]1O 2121476791 XNZABCQYWAVXOE-JBSCMGISSA-N 271.288 -0.277 10 10 CBCE CN(C)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@@H]1O 2146150460 HCKZFLSLWOLUGF-AGIUHOORSA-N 276.340 -0.250 10 10 CBCE CN(CCCN)CCCNC(=O)c1cc(O)nc(O)c1 2153292689 RMRKAHWWMYCYPQ-UHFFFAOYSA-N 282.344 -0.107 10 10 CBCE Nc1cc2c(cc1N1C[C@H]3C[C@H]1[C@H](O)[C@@H]3O)OCCO2 2160703555 KUOFTNQTNHNSRF-JWKJARAVSA-N 278.308 -0.030 10 10 CBCE C[C@]1(O)CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1O 2201526633 CSCKQHSMWMSIAV-OCCSQVGLSA-N 281.308 -0.016 10 10 CBCE COc1cc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)ccc1CO 2204547059 HJYPSFOMYLYYEX-QWRGUYRKSA-N 276.292 -0.104 10 10 CBCE Nc1ccc(OCC(=O)NC2CNCCNC2)cc1 2271987255 DZLULFDURJUGIQ-UHFFFAOYSA-N 264.329 -0.675 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCOC3(CNC3)C2)cc1 2288586553 ROHXXUZQKFIPRO-UHFFFAOYSA-N 297.380 -0.227 10 10 CBCE C[C@@H](NC(=O)[C@@]1(O)CCNC[C@@H]1O)c1ccccc1O 2357502710 JSDOZSMWFNRXEN-LJWDBELGSA-N 280.324 -0.345 10 10 CBCE Cn1cc([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@@H]2F)c(=O)[nH]c1=O 6072378 WCXOIXQZTJXMQW-CWKFCGSDSA-N 285.235 -0.477 10 10 CBCE O=C(NCc1ccccc1O)c1c[nH]c(=O)[nH]c1=O 228424946 MJAPQWXSRGGQFO-UHFFFAOYSA-N 261.237 -0.301 10 10 CBCE NC(=O)[C@]1(O)CCN(CCCOc2ccc(N)cc2)C1 380493588 MYWSOMZBQGZRHD-AWEZNQCLSA-N 279.340 -0.040 10 10 CBCE O=C(CC[C@H]1NC(=O)NC1=O)NCc1cc(O)ccc1O 1644752303 AHIRRIQLGIITFG-SECBINFHSA-N 293.279 -0.298 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@H]1CO)OCCO2 1876219110 FAHAEYBDVBLAHE-VIFPVBQESA-N 265.313 -0.190 10 10 CBCE Nc1ccc(OCC(=O)NC2(C(=O)O)CNC2)cc1 1876444508 QLJYHWCRPAOKSB-UHFFFAOYSA-N 265.269 -0.810 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCOC[C@H]2N)cc1 1876470662 DZFQUUYMEJRWFC-NEPJUHHUSA-N 285.369 -0.196 10 10 CBCE Nc1ccc(CCC(=O)N2CCNC[C@H](O)C2)cc1 1876482371 DXNDZPCGFJKTHF-ZDUSSCGKSA-N 263.341 -0.006 10 10 CBCE CC1(C)OC[C@H](NC(=O)c2cc(O)nc(O)c2)[C@@H]1O 1910829611 SPCAHGCSZHAIMX-XVKPBYJWSA-N 268.269 -0.239 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(O)(C(N)=O)C1 1915224854 UXLIGYQHQXMPRC-QMMMGPOBSA-N 278.312 -0.872 10 10 CBCE CN1C[C@H](O)[C@H](NC(=O)c2cccc(O)c2O)C1 2029861456 BNMHWSZQQARONI-SCZZXKLOSA-N 252.270 -0.498 10 10 CBCE N[C@@H]1C[C@H](O)CN(C(=O)c2ccc(O)c(O)c2)C1 2049113601 LFOYOTBOPHCFSQ-BDAKNGLRSA-N 252.270 -0.368 10 10 CBCE COC[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2068578524 SNPXXVXAALDFQK-SSDOTTSWSA-N 257.242 -0.460 10 10 CBCE CN1C[C@H](O)[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132348491 MOAOPSSWYJIMRG-XVKPBYJWSA-N 268.269 -0.792 10 10 CBCE N[C@H](CCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132414064 SXDJRCHJAANJGF-ZCFIWIBFSA-N 270.241 -0.665 10 10 CBCE CN([C@H]1CC(=O)NC1=O)S(=O)(=O)Cc1ccc(N)cc1 2171201199 IVBIQBCZBVSTEM-JTQLQIEISA-N 297.336 -0.555 10 10 CBCE CNC[C@H](O)CN(C)c1cc2c(cc1N)OCC(=O)N2 2191894478 SLNNPNXTPMGNHB-QMMMGPOBSA-N 280.328 -0.384 10 10 CBCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O 2225796301 VYMYAWSSFKPCBV-BQBZGAKWSA-N 266.261 -0.114 10 10 CBCE OCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1 2289357580 IWRDSGPLRCYRLX-WLTAIBSBSA-N 289.278 -0.393 10 10 CBCE NC(=O)[C@H]1COCCN1CCC(=O)Nc1ccc(N)cc1 158819539 QZZSJQYJYXNHBX-GFCCVEGCSA-N 292.339 -0.217 10 10 CBCE C[C@H]1[C@](NCCN=[N+]=[N-])(C(=O)O)CCS1(=O)=O 393863949 MEDREOCYGCCXAL-XPUUQOCRSA-N 262.291 -0.083 10 10 CBCE Cc1cc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1CO 693460672 GINOSJNKXMVFNH-TXEJJXNPSA-N 277.324 -0.490 10 10 CBCE CN(C)C[C@H](CO)NC(=O)c1cc(O)nc(O)c1 716753266 OCWUFLCBWAYEEL-MRVPVSSYSA-N 255.274 -0.855 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H](O)CF 2032666033 BPOOXRFTNUWIBY-LLVKDONJSA-N 255.293 -0.114 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)[C@@H]2COC[C@H]21 2102191947 PBTUZHAZMTZLPZ-KKZNHRDASA-N 265.265 -0.071 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NC(=O)Cc1ccc(N)cc1 2117458489 RUZRUUXSFXSALW-PWSUYJOCSA-N 263.297 -0.430 10 10 CBCE C[C@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2127700948 LWLUYWCPBPXDCL-GZMMTYOYSA-N 263.297 -0.470 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CC(NC(N)=O)C3)cc21 2163220560 WOEWZQFGRICNEV-NSHDSACASA-N 276.296 -0.447 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC([N+](=O)[O-])C1 2191527463 YIBWVXUUNFHUPB-VIFPVBQESA-N 281.268 -0.545 10 10 CBCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 2225797228 DRQXCBNIDZECAN-XVMARJQXSA-N 266.261 -0.068 10 10 CBCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1[C@H](C)O 2269675447 DIIPMOKHSPNKIT-VIFPVBQESA-N 265.313 -0.175 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](O)C3)ccc21 2328969588 XTXJRRMSIXUESF-IJLUTSLNSA-N 263.297 -0.559 10 10 CBCE COCCOCCCNC=C1C(=O)N(C)C(=O)N(C)C1=O 52529275 GORGPPKLAJRLLY-UHFFFAOYSA-N 299.327 -0.437 10 10 CBCE CN(C[C@H]1CNCCO1)C(=O)c1cc(O)nc(O)c1 125942661 OEQXUZCFDDOODQ-SECBINFHSA-N 267.285 -0.447 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2CC(O)C2)cc1 227209645 VBSLXNOZBJFHGX-UHFFFAOYSA-N 272.326 -0.346 10 10 CBCE Cn1nnnc1CCNC(=O)/C=C/c1ccc(O)c(O)c1 779548639 WNHPULJUTNMIDV-HWKANZROSA-N 289.295 -0.007 10 10 CBCE Nc1ccc(CCC(=O)NC[C@H]2CNC[C@H]2O)cc1 1876519844 QMIQKRBTQRIPIK-DGCLKSJQSA-N 263.341 -0.102 10 10 CBCE O=S1(=O)C[C@H](Cc2ccc(O)c(O)c2)NCCN1 1952465055 HBWWPFQDVJSQCU-VIFPVBQESA-N 272.326 -0.469 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1COC[C@@H]1CO 2046435658 JGKIGZOKYPBKSQ-OIBJUYFYSA-N 251.286 -0.213 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@H]2CNCCOC2)C1 2080223810 VIRAGKNPZWYZFV-DCAQKATOSA-N 254.330 -0.122 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H](CO)CCCO)cc1 2090387683 LZDQRHMUBUHJRC-GFCCVEGCSA-N 288.369 -0.178 10 10 CBCE COc1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(N)c1 2127687179 FVCBKABINKNULB-SNVBAGLBSA-N 264.285 -0.933 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@](O)(CO)C1 2132349140 ZIDXSQVISXBSFN-GFCCVEGCSA-N 269.253 -0.627 10 10 CBCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1O 2183643793 UMXOMXHIACHXHU-AQUOVQTQSA-N 281.308 -0.244 10 10 CBCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1O 2183643794 UMXOMXHIACHXHU-CKLFPEKLSA-N 281.308 -0.244 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC(O)(CCO)C3)cc21 2286174359 QMATXBQPOZXNCS-GFCCVEGCSA-N 278.308 -0.370 10 10 CBCE CN1CCc2cc(N3C[C@H](O)[C@@H](O)[C@H](CO)C3)ccc21 2289357293 FSIBWCQDRLHMCO-CQDKDKBSSA-N 278.352 -0.171 10 10 CBCE NC(=O)[C@H]1COCCN1c1cc2c(cc1N)OCCO2 158788064 ISCNGJXOLMCNJA-SNVBAGLBSA-N 279.296 -0.270 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCO[C@H](CO)C3)ccc21 168121991 IRVMCNKGGIXHKD-JOYOIKCWSA-N 263.297 -0.164 10 10 CBCE C[C@H]1[C@](NCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 379882502 BVPYICNHKKQSFW-XPUUQOCRSA-N 261.307 -0.683 10 10 CBCE Cn1cc([C@](C)(NCCCN=[N+]=[N-])C(N)=O)nn1 715070092 WIYFENIAHKYSHM-VIFPVBQESA-N 252.282 -0.194 10 10 CBCE CN(CCCN=[N+]=[N-])C(=O)Cn1ccc(=O)n(C)c1=O 1912174107 VCJBTUXHRCHJHC-UHFFFAOYSA-N 280.288 -0.294 10 10 CBCE N[C@H]1COC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2032625418 TYJRGUOEUYJAEE-IUCAKERBSA-N 252.270 -0.517 10 10 CBCE CN(OCC(=O)O)C(=O)c1cc(O)c(O)c(O)c1 2068577284 MQXQIGWUFAXCBU-UHFFFAOYSA-N 257.198 -0.108 10 10 CBCE COC[C@@](O)(CO)CNCc1ccc(O)c(O)c1O 2102399210 LIOUMQKBEMEWMM-LBPRGKRZSA-N 273.285 -0.737 10 10 CBCE NCCC(CCN)NC(=O)c1cc(O)c(O)c(O)c1 2140779000 RRDKPHWJALEYRV-UHFFFAOYSA-N 269.301 -0.401 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](N)[C@H]3COC[C@@H]32)cc1 2191672468 YFAYOBPKRIAALN-AGIUHOORSA-N 277.324 -0.168 10 10 CBCE N[C@@H]1CCCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CO)ccc21 2201037659 PKRNUKHREHBIMY-APIJFGDWSA-N 278.352 -0.075 10 10 CBCE C[C@H](NCC1(O)CS(=O)(=O)C1)c1cc(O)ccc1O 2267902658 VGMGRPUCGHODKZ-QMMMGPOBSA-N 287.337 -0.092 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)ccc1CO 2273671540 GLVOXOJSLKXKDX-KWCYVHTRSA-N 267.325 -0.362 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CO)ccc21 2332921614 MXHQAZNGNXEFLP-RQJABVFESA-N 264.325 -0.465 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc(/C=C/C(=O)O)cc1F 61808366 MNVZLBULCWFIRX-DUXPYHPUSA-N 295.270 -0.300 10 10 CBCE NCCCC[C@H](NC[C@H]1SC(=S)NC1=O)C(=O)O 247706557 FLDSVSUIAHKEOU-NKWVEPMBSA-N 291.398 -0.325 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1 316314165 BJNJRMPYIAVSNQ-JQWIXIFHSA-N 286.353 -0.616 10 10 CBCE N[C@H]1COCCN(C(=O)c2ccc(O)c(O)c2)C1 399906205 CPCAZMMZLKWYHN-SECBINFHSA-N 252.270 -0.103 10 10 CBCE NC(=O)[C@H](O)CNC(=O)/C=C\c1ccc(O)c(O)c1 1639986983 OCLFLAYAUNJOHT-WUWIAWFRSA-N 266.253 -0.927 10 10 CBCE NCCN(CCO)c1cc2c(cc1N)NC(=O)CC2 1876218134 SCVBDEWXVZEXIZ-UHFFFAOYSA-N 264.329 -0.089 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2COCCN2)cc1 1876525123 HWZXKTMXYXVBJZ-LLVKDONJSA-N 265.313 -0.248 10 10 CBCE CN(Cc1ccccc1O)S(=O)(=O)N1CC(O)C1 1914122638 IDRYCVPVPDOUCL-UHFFFAOYSA-N 272.326 -0.255 10 10 CBCE Oc1cccc(Cl)c1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046513832 IWMWNXOKOXIIGN-SASUGWTJSA-N 273.716 -0.010 10 10 CBCE CON(C(=O)c1cc(O)nc(O)c1)[C@H]1CCNC1 2055879472 YYYIIHPUXNZLKD-QMMMGPOBSA-N 253.258 -0.142 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCCC1(CO)CO 2089901575 MWJOXJZENGZHFL-UHFFFAOYSA-N 268.269 -0.548 10 10 CBCE CCn1nnnc1Cn1ccc2c(c1=O)CNCC2 2094404780 MXJCZCQTKLJVBL-UHFFFAOYSA-N 260.301 -0.451 10 10 CBCE O=C1N[C@@H]2CN(Cc3ccccc3O)C[C@H]2NC1=O 2110484588 SQERQWMNVWKCDW-NXEZZACHSA-N 261.281 -0.809 10 10 CBCE Cn1nnnc1CNC(=O)c1cc(O)c(O)c(O)c1 2132349162 ZNPFOUVQVJEAHB-UHFFFAOYSA-N 265.229 -0.743 10 10 CBCE O=C(N[C@]1(C(=O)O)CCNC1)c1cc(O)c(O)c(O)c1 2188924930 RRLQYSYSWAFYKQ-GFCCVEGCSA-N 282.252 -0.650 10 10 CBCE NC(=O)[C@@H]1CN(Cc2ccc(F)cc2O)C[C@H]1C(N)=O 2204657117 SFGLBZHOEJBZCS-NXEZZACHSA-N 281.287 -0.450 10 10 CBCE CCS(=O)(=O)N(C)Nc1nc([C@@H](N)C(=O)O)cs1 2317458475 STLLFBNNUOMSBT-ZCFIWIBFSA-N 294.358 -0.164 10 10 CBCE N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@@H]2COC[C@@H]21 2329204671 HIXNTGFCDKXFLJ-KXUCPTDWSA-N 264.281 -0.104 10 10 CBCE Cn1c(O)nnc1CNC(=O)c1cc(O)nc(O)c1 2351542371 MJLLMRQLAAMKMG-UHFFFAOYSA-N 265.229 -0.743 10 10 CBCE NS(=O)(=O)CCCNCc1cc2c(cc1O)OCO2 45070779 LXLWJRFFORLLHN-UHFFFAOYSA-N 288.325 -0.111 10 10 CBCE C[C@H](N)C(=O)NCc1cc(O)c(O)c([N+](=O)[O-])c1 83408349 JQFFJGZVJIOVTH-YFKPBYRVSA-N 255.230 -0.031 10 10 CBCE NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(O)c(O)c2)C1 312427674 HVTIOPSRBNFNEJ-CYBMUJFWSA-N 280.280 -0.450 10 10 CBCE Cc1c(CNC(C(N)=O)C(N)=O)n(C)c2ccccc12 695293506 FKQZMHCGKABGCE-UHFFFAOYSA-N 274.324 -0.084 10 10 CBCE COC(=O)[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@@H](C)O 707718681 HEXGNRSNYPJLMS-ANLVUFKYSA-N 270.241 -0.855 10 10 CBCE CN(C1CNC1)S(=O)(=O)CCOc1ccc(N)cc1 1876171780 PWVMFBCFYUDLEC-UHFFFAOYSA-N 285.369 -0.119 10 10 CBCE Nc1ccc(NS(=O)(=O)N2CC[C@H](O)C2)cc1 1914154222 PMVOQDJMVRLZHM-JTQLQIEISA-N 257.315 -0.008 10 10 CBCE C[C@H](O)c1ccc(N2CC(O)(C(N)=O)C2)c([N+](=O)[O-])c1 1915237593 IRAGYDCQPVSUQV-ZETCQYMHSA-N 281.268 -0.316 10 10 CBCE NCCn1cc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)nn1 2049783998 DWGWHWBTVZNTIR-ZKCHVHJHSA-N 251.290 -0.884 10 10 CBCE COc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 2121363691 JLUXSMXOMNQWJK-PWSUYJOCSA-N 287.337 -0.352 10 10 CBCE Nc1ccc(OCC(=O)NCC2(CO)CNC2)cc1 2137086350 STZYIGDPPKXRII-UHFFFAOYSA-N 265.313 -0.654 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H](O)[C@H](F)C1 2149205303 YSGKLKYCUFJNTE-PTRXPTGYSA-N 284.287 -0.491 10 10 CBCE Nc1cc2c(cc1N1C[C@H]3C[C@H]1[C@H](O)[C@H]3O)OCCO2 2160703558 KUOFTNQTNHNSRF-XQJPUGBWSA-N 278.308 -0.030 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2160717217 RAVPMGRMPWEUKH-DWVUBDKYSA-N 277.324 -0.367 10 10 CBCE CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)COc1ccc(N)cc1 2181206054 HBGDXTHAGQKGHU-AAEUAGOBSA-N 280.324 -0.010 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1OC 2204557112 LWVIWMXZURKQQP-DYEKYZERSA-N 282.340 -0.683 10 10 CBCE O=C1CN(C(=O)c2cccc(O)c2O)[C@@H](C(=O)O)CN1 230809085 KNARDFLYCIEMTM-SSDOTTSWSA-N 280.236 -0.877 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC/C=C\C(=O)O 380262102 SSDXLUONICZNNM-IYABHPQVSA-N 280.280 -0.275 10 10 CBCE C[S@](=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 385499100 FAJOEOQJJSUQTE-GJEGPGMTSA-N 259.283 -0.023 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)c2ccc(O)c(O)c2)C1 389032702 KGFIPGNHWZTQQN-GFCCVEGCSA-N 266.253 -0.840 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H](O)[C@@H](CO)C1 396818419 XHRQHIXDVHZNLB-NXEZZACHSA-N 267.281 -0.087 10 10 CBCE CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 861517053 CSBSITZOQJTDBZ-LBPRGKRZSA-N 292.339 -0.346 10 10 CBCE CONC(=O)CNC(=O)NCc1cccc(OC)c1O 1255995743 XVPMZVQBBKMXID-UHFFFAOYSA-N 283.284 -0.122 10 10 CBCE NC(=O)N1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1443494391 XWBKMBXCTCTIKA-SECBINFHSA-N 279.296 -0.091 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC(CO)(CO)C3)ccc21 1914970896 KTFWBNWZYRNQBT-LBPRGKRZSA-N 277.324 -0.310 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1(c2nn[nH]n2)CC1 1963565184 BWIGBOJEEICFGT-UHFFFAOYSA-N 275.268 -0.041 10 10 CBCE CNC(=O)C1CN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2064640451 UDIPDUSKHPWKHU-UHFFFAOYSA-N 289.295 -0.439 10 10 CBCE NC1(CO)CCN(C(=O)c2cc(O)nc(O)c2)CC1 2087255020 VTTHVLDOAGHQBJ-UHFFFAOYSA-N 267.285 -0.581 10 10 CBCE CO[C@@H](CCO)CNC(=O)c1cc(O)c(O)c(O)c1 2132348508 NAERCPFBNIOYLD-QMMMGPOBSA-N 271.269 -0.069 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O)c1ccc(O)c(O)c1 2166419098 QWQVOBFLBJKWJM-KQKVGFIHSA-N 279.292 -0.042 10 10 CBCE COc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)c(N)c1 2166792660 HKLAIRSVNKOZEV-AOOOYVTPSA-N 276.296 -0.919 10 10 CBCE NCCN1CCN(C(=O)c2cccc(O)c2O)CC1=O 2171080084 XWIACNRKYIAXAU-UHFFFAOYSA-N 279.296 -0.659 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(F)c(F)c2O)[C@H](O)[C@H]1O 2177949386 RFZFWFVYKNEYOZ-MNNHZPJKSA-N 289.278 -0.137 10 10 CBCE NC[C@H]1COCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2193252633 IQKRIOIEHSKVSM-IUCAKERBSA-N 282.296 -0.103 10 10 CBCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)OCCO3)C1 2226763549 AJYGOSRFTYGVHH-CYBMUJFWSA-N 264.281 -0.116 10 10 CBCE C[C@@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1O 2356092582 RTUQMYODJJJGDK-BZHVJNSISA-N 280.324 -0.277 10 10 CBCE CNC(=O)[C@@H]1COCCN1Cc1cc(N)ccc1O 130151703 OZZUDZWHIXLEKX-NSHDSACASA-N 265.313 -0.079 10 10 CBCE O=C(NCCOCCO)Nc1cc(O)c(O)c(O)c1 217278810 JKHCKLJTEFOQST-UHFFFAOYSA-N 272.257 -0.066 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 252673144 GRZMMYHINYONGK-KGFZYKRKSA-N 274.280 -0.510 10 10 CBCE CN1CC(=O)N(CC(=O)Nc2ccc(N)cc2)C(=O)C1 708285938 CDBWRBMGZRHWNU-UHFFFAOYSA-N 276.296 -0.492 10 10 CBCE O=C(NCC1(CO)COC1)c1cccc(O)c1O 717576004 OVRXTDYKWQQQHS-UHFFFAOYSA-N 253.254 -0.164 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCNC1=O 1963784112 WZSOSRGFDMOSJJ-MRVPVSSYSA-N 250.254 -0.355 10 10 CBCE O=S(=O)(NCCc1ccc(O)c(O)c1)[C@@H]1CCNC1 2091746724 GOXMHPPEQPFYFU-SNVBAGLBSA-N 286.353 -0.078 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1COC[C@@H]1O 2132349040 XLQVCAWJGLODOU-XCBNKYQSSA-N 269.253 -0.365 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1ccc(O)cc1O 2142489829 GSKVEZRTWHFXTL-CMPLNLGQSA-N 287.337 -0.001 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H](C(=O)O)C1COC1 2161177856 OVVHEQZGFVGARH-LBPRGKRZSA-N 281.264 -0.144 10 10 CBCE COc1ccc(O)c(CN[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)c1 2177944794 OIAUJBXPBDQXPA-QIRAZROLSA-N 283.324 -0.407 10 10 CBCE C[C@@H]1CNC[C@@H](CCNC(=O)c2cc(O)nc(O)c2)O1 2181157923 GMUZUPDJRDUZLA-PSASIEDQSA-N 281.312 -0.010 10 10 CBCE CN(C)CC1(NC(=O)c2cc(O)c(O)c(O)c2)COC1 2188918493 FKQLJJLXWTZPRR-UHFFFAOYSA-N 282.296 -0.136 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(C=O)c1 2235988496 UTSYKRXHYWEVCW-UONOGXRCSA-N 281.308 -0.198 10 10 CBCE Nc1ccc(OCCN2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332922851 IFBNAPXMUWBHPX-XQQFMLRXSA-N 268.313 -0.954 10 10 CBCE Nc1cc2c(cc1N1CC([C@@H](O)CO)C1)OCCO2 2336774204 PKMAOZABBQMFGE-NSHDSACASA-N 266.297 -0.171 10 10 CBCE C[C@@H](O)CN(CCO)C[C@@H](O)COc1ccc(N)cc1 313590583 ZIBUKLJVTXDYBV-DGCLKSJQSA-N 284.356 -0.316 10 10 CBCE Nc1ccc(CCNC(=O)CN2CC(=O)NC2=O)cc1 832658846 DHPBLYZZBVURAK-UHFFFAOYSA-N 276.296 -0.521 10 10 CBCE CNS(=O)(=O)NCC(=O)NCc1cc(C)ccc1O 862756487 YYXRHUYWYQYQGJ-UHFFFAOYSA-N 287.341 -0.629 10 10 CBCE CN(Cc1ccccc1O)C(=O)CCNC(=O)CO 906990658 GVOUUOVXRSMBTK-UHFFFAOYSA-N 266.297 -0.151 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)[C@@H](O)C1 1643716587 LFIOJWPJXRDZLN-PWSUYJOCSA-N 267.281 -0.406 10 10 CBCE CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)O)[C@H]2O[C@H]1C(=O)C2=O 1848349883 BJBLGEJRQAEIBT-TYPSWONNSA-N 285.252 -0.500 10 10 CBCE Nc1ccc(CN2CC[C@H](O)[C@@H](O)[C@@H]2C(=O)O)cc1 1891411299 MQIQYRCUGRVXLR-QJPTWQEYSA-N 266.297 -0.351 10 10 CBCE O=C(NC[C@H]1COC[C@H]1O)c1cc(O)nc(O)c1 2036581020 XMDLOZQUOGKHDL-JGVFFNPUSA-N 254.242 -0.770 10 10 CBCE O=C1C[C@H](NC(=O)c2cc(O)nc(O)c2)CCN1 2066258730 VPNJKLITCNJZCJ-SSDOTTSWSA-N 251.242 -0.499 10 10 CBCE N[C@@H]1C[C@@H](O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 2111799445 BTFRMSUNZJDPHM-NXEZZACHSA-N 266.297 -0.439 10 10 CBCE CO[C@@H]1CN[C@@H](CNC(=O)c2cc(O)nc(O)c2)C1 2115850086 DKLFGGCKAYLNCM-BDAKNGLRSA-N 267.285 -0.401 10 10 CBCE O=C(N[C@@H]1COC[C@H]1CO)c1cc(O)c(O)c(O)c1 2132348540 NULNOQAHLOBNQK-HTQZYQBOSA-N 269.253 -0.460 10 10 CBCE COc1cc(N)c(N2CC(OCC(N)=O)C2)cc1OC 2145375159 LDNIOYGMJDVOQF-UHFFFAOYSA-N 281.312 -0.024 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2CC(=O)NC2=O)cc1 2152384029 CRBIYUCOHLPZQA-JTQLQIEISA-N 277.280 -0.431 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](CO)[C@@H](CO)C1 2188874621 IZOIRTKKXFBFHM-DTORHVGOSA-N 283.280 -0.524 10 10 CBCE C[C@H](O)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2201000817 AFCLXLVJPRULII-SHGJWOQOSA-N 289.278 -0.079 10 10 CBCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CO 2235966459 TVDRLNIMJMKNFZ-MELADBBJSA-N 282.340 -0.683 10 10 CBCE Nc1ccc(CNCC2(O)CS(=O)(=O)C2)cc1 2248076806 PQFZVVMPKVXNLL-UHFFFAOYSA-N 256.327 -0.482 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC(O)(C(F)(F)CO)C1 2288559056 UDRGMUAZFKOOHX-UHFFFAOYSA-N 290.222 -0.693 10 10 CBCE Nc1ccc(OCCC(=O)NCCS(N)(=O)=O)cc1 40304117 NWTCPWCYGNVLRK-UHFFFAOYSA-N 287.341 -0.558 10 10 CBCE NCCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486840 RTIQVAUDYGBKOH-VIFPVBQESA-N 282.296 -0.051 10 10 CBCE CN[C@H](C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 54076010 MMRNFHWSKVZITL-APPZFPTMSA-N 282.296 -0.182 10 10 CBCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(N)=O 70490627 ZLWVEBRWMGNWKU-QMMMGPOBSA-N 287.341 -0.559 10 10 CBCE O=C(NC[C@H]1COCCN1)c1cc(O)nc(O)c1 236590173 MFPSKGBSKMPYDP-QMMMGPOBSA-N 253.258 -0.789 10 10 CBCE CN(C)C[C@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 380512240 GTNBBIFBHVWVGR-ZDUSSCGKSA-N 280.372 -0.521 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@H](O)C3)ccc21 399864654 NUJMLVJRCZZSGP-BXKDBHETSA-N 263.297 -0.164 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](O)C[C@@H]2CO)cc1 698140852 UEABJBQQHOFQFY-NEPJUHHUSA-N 280.324 -0.008 10 10 CBCE Nc1ccc(CN2CC[C@](O)(C(=O)O)[C@@H](O)C2)cc1 1891270281 RANHYLFMTJVMCZ-WCQYABFASA-N 266.297 -0.349 10 10 CBCE NS(=O)(=O)NCCNCc1c(O)cccc1Cl 1995949676 MGACXDOJFUKURV-UHFFFAOYSA-N 279.749 -0.072 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC[C@H](O)CO)cc1 2061854143 FBVNXJZOAMDKJD-NSHDSACASA-N 274.342 -0.569 10 10 CBCE Nc1ccc(O)c(CN2CCOC[C@@H]2[C@H](O)CO)c1 2090134791 AGDXDJHMTOVCEB-DGCLKSJQSA-N 268.313 -0.472 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@@H]2COC[C@H]21 2102187942 COZUJEZAULFALE-LNLATYFQSA-N 265.265 -0.071 10 10 CBCE NC[C@H]1C[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2131037898 QIDFOYKKJYWQCW-ZJUUUORDSA-N 266.297 -0.439 10 10 CBCE CN(CCOCCO)C(=O)c1cc(O)c(O)c(O)c1 2132348609 OXISERMUALKUHP-UHFFFAOYSA-N 271.269 -0.116 10 10 CBCE CC[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2136336496 MJSNEZJRAXDPSY-XUXIUFHCSA-N 266.341 -0.001 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(F)cc2O)[C@@H](O)[C@@H]1O 2139879026 PYMAPQMERFRNSE-LOHPEHISSA-N 271.288 -0.277 10 10 CBCE COC[C@H](ONC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144028303 PRWRPDSQXHJEPW-JTQLQIEISA-N 285.252 -0.212 10 10 CBCE N[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1CO 2178907554 QYSKQCVMCXUWNL-MNOVXSKESA-N 280.324 -0.192 10 10 CBCE NC(=O)[C@H]1CNCCN1c1cc2c(cc1N)OCCO2 2191558362 GOLPCIHZGJWFAU-SNVBAGLBSA-N 278.312 -0.697 10 10 CBCE C[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1=O 2260431943 VLDZGQBFUOXABX-LLVKDONJSA-N 251.242 -0.499 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@H](O)CC3)ccc2[C@@H]1O 2284535711 BZJJIIABPJCXGA-XQQFMLRXSA-N 278.308 -0.006 10 10 CBCE Nc1ccc(OCC(=O)N2CCN(C=O)CC2)cc1 41355980 GGTSVCZHPNEUDZ-UHFFFAOYSA-N 263.297 -0.052 10 10 CBCE N[C@@H](CCC(=O)NCc1cccc(O)c1O)C(=O)O 83496864 DAUZIYNGGZOXLI-QMMMGPOBSA-N 268.269 -0.094 10 10 CBCE COCCNC(=O)CN(C)C(=O)c1cccc(O)c1O 126330939 YCDGTODIPMKFLR-UHFFFAOYSA-N 282.296 -0.068 10 10 CBCE CN(C)CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 167733205 MYARTSCHCSZRHP-SECBINFHSA-N 282.296 -0.229 10 10 CBCE COc1ccc(N(CC(N)=O)CC(N)=O)c(N)c1 213428545 GUTNWMDSENMXHD-UHFFFAOYSA-N 252.274 -0.946 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)Nc1ccc(O)cc1N 235041890 IGULPVJEFJVPFY-UHFFFAOYSA-N 294.354 -0.239 10 10 CBCE NC(=O)C[S@@](=O)CCC(=O)Nc1ccc(N)cc1 302284615 GQJWURFRNADRES-SFHVURJKSA-N 269.326 -0.169 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 692825066 RYDXRTZDCVLGMN-BQBZGAKWSA-N 266.261 -0.114 10 10 CBCE O=C1Nc2cc(N3C[C@@H](CO)[C@H](CO)C3)ccc2[C@H]1O 704451102 IBQHSBNHHZBLHS-MWODSPESSA-N 278.308 -0.291 10 10 CBCE COC(=O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H](C)O 1148586683 SZOIUBUFBHCLLO-ANLVUFKYSA-N 285.252 -0.544 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)cc1 1924763217 ZTLGCPNLSCKWPA-AOOOYVTPSA-N 280.305 -0.197 10 10 CBCE C[C@@H](N)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2035449184 RTGPOFYQFNWDMN-MRVPVSSYSA-N 274.342 -0.093 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CC[C@H]3C(N)=O)cc21 2089367791 BNQSVLVWOHELHR-ONGXEEELSA-N 261.281 -0.240 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CC(O)(CO)C3)cc21 2115310360 QOLQTUVXLJGSJM-NSHDSACASA-N 264.281 -0.760 10 10 CBCE CN(C)c1ccc(CNS(=O)(=O)N2CC(CN)C2)cc1 2161196130 MIGPCPJKYDWGDD-UHFFFAOYSA-N 298.412 -0.023 10 10 CBCE Nc1ccc(CCN2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166792885 IVGXGYLDJFFVIA-VXGBXAGGSA-N 274.324 -0.890 10 10 CBCE NC(=O)NCC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2187292887 JWPKTXPBHZIENC-NSHDSACASA-N 275.312 -0.257 10 10 CBCE CO[C@@H]1C[C@H](CN)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188925091 SEMMKBZDTXENDN-RKDXNWHRSA-N 282.296 -0.008 10 10 CBCE COc1cc(N)c(N2CCNC[C@@H]2C(N)=O)cc1OC 2191560370 RRLOSKRUSDVVTJ-SNVBAGLBSA-N 280.328 -0.451 10 10 CBCE CN(Cc1nnn(C)n1)C(=O)c1cc(O)c(O)c(O)c1 2197863121 UEIFGKZXIKKVIR-UHFFFAOYSA-N 279.256 -0.401 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@@H](O)CN1 2279260418 DPMLBLFOBGAPTL-GHMZBOCLSA-N 280.324 -0.131 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@@H]1[C@H]2CO 2311860052 UZRGNBOEHPHBPE-HRDYMLBCSA-N 250.254 -0.054 10 10 CBCE NC(=O)[C@@H]1COCCN1CC(=O)c1ccc(O)c(O)c1 158992274 IXFDZUZKFMYNCK-VIFPVBQESA-N 280.280 -0.533 10 10 CBCE COc1cc(Cl)cc(CNC[C@H](O)C(N)=O)c1O 228611588 LBJFZLPCWHMRCD-QMMMGPOBSA-N 274.704 -0.010 10 10 CBCE [N-]=[N+]=NCCNC(=O)Cn1nc2ccccn2c1=O 701304419 WFAMJVRNSMTTJA-UHFFFAOYSA-N 261.245 -0.078 10 10 CBCE C[C@H](NCC(O)(CO)CO)c1ccc(O)cc1O 1913799500 QIFNDBNRHFNFPH-QMMMGPOBSA-N 257.286 -0.536 10 10 CBCE Nc1ccc(NC(=O)NC[C@@H]2CNC[C@H]2O)cc1 2071564589 AKRUCPNVKOJWMJ-GZMMTYOYSA-N 250.302 -0.029 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2116192525 WJFWDNIHMGEQGP-ZQARSLAVSA-N 267.285 -0.679 10 10 CBCE O=S1(=O)C[C@@H]2C(NCc3ccc(O)c(O)c3O)[C@H]2C1 2118008769 GEJAQBYBOAXLCP-YUMQZZPRSA-N 285.321 -0.064 10 10 CBCE Cn1ncc(S(=O)(=O)NCCc2ccc(O)c(O)c2)n1 2147996804 SBCZJAQTYMFMOW-UHFFFAOYSA-N 298.324 -0.253 10 10 CBCE O=C1NC[C@]2(CCN(C(=O)c3ccc(O)c(O)c3)C2)N1 2177673356 NGLXZRGSYXPFTC-ZDUSSCGKSA-N 277.280 -0.005 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cc(O)ccc1O 2177942535 AHLHRHFKFDBDBP-WXMORRPASA-N 283.324 -0.149 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2NCCO[C@@H]2C1 2188923930 NNYXRRUMZCRNFM-LDYMZIIASA-N 280.280 -0.384 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CNCC[C@@H]2CO)cc1 2191790013 CRYLQGQSRKTEGC-YPMHNXCESA-N 299.396 -0.341 10 10 CBCE O=C1Nc2cc(N3CC[C@@H]3[C@@H](O)CO)ccc2[C@@H]1O 2270697097 HVXJOVGBLUWJKV-WOPDTQHZSA-N 264.281 -0.396 10 10 CBCE COC[C@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341146216 UTJXLEMQHXJKNI-JTQLQIEISA-N 266.297 -0.044 10 10 CBCE NC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 125987689 PDOYQTHDUNGMLC-ZCFIWIBFSA-N 268.225 -0.844 10 10 CBCE O=C(NC[C@]1(O)CCOC1)c1ccc(O)c(O)c1 227042251 SHKCOBCUZAIDMQ-GFCCVEGCSA-N 253.254 -0.021 10 10 CBCE C[C@H]1C[C@@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 385003515 QIFIDHHBZOTFKG-GDPRMGEGSA-N 280.324 -0.051 10 10 CBCE Nc1ccc(CCC(=O)N2CC(O)(C(=O)O)C2)cc1 706520738 RQNNLRIDWRUFBQ-UHFFFAOYSA-N 264.281 -0.141 10 10 CBCE NS(=O)(=O)C1(C(=O)NCc2cc(O)ccc2O)CC1 1637126273 QYYHDYOJBGNSMZ-UHFFFAOYSA-N 286.309 -0.465 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@](N)(C(=O)O)C2)cc1 1876491185 KUYQAZXKTVOBAW-CYBMUJFWSA-N 263.297 -0.174 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NOCCO 2070168165 YNXKOLRSTJKQGO-QMMMGPOBSA-N 256.258 -0.992 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Cl)c1 2080928053 WXHBZIPHJWNNMX-SDDRHHMPSA-N 273.716 -0.265 10 10 CBCE COC[C@@H]1CNCCN1C(=O)c1cc(O)nc(O)c1 2088492903 VQXVUEMEJKPCQK-VIFPVBQESA-N 267.285 -0.447 10 10 CBCE NC(=O)NC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132419542 ULCJCSCDCATGKA-UHFFFAOYSA-N 267.241 -0.704 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1C 2136342373 NMEKBUUNEXUPNJ-HZSPNIEDSA-N 266.341 -0.383 10 10 CBCE NC(=O)COC1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2145378059 UZQQPLCSIKLTQY-GFCCVEGCSA-N 276.296 -0.671 10 10 CBCE C[C@H](c1cc(O)ccc1O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)O 2200861823 MXNKNJVZRQQYAP-WGCWFIDGSA-N 283.280 -0.351 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC)cc1CN 2235963757 PBADJGXQLZIVAY-RDBSUJKOSA-N 282.340 -0.289 10 10 CBCE COc1ccc(O)c(CN(CC(N)=O)CC(N)=O)c1 134018247 CIEFTASISFPITF-UHFFFAOYSA-N 267.285 -0.827 10 10 CBCE NCCN1CCN(C(=O)Nc2cc(O)c(O)c(O)c2)CC1 217278752 OEQDSSTVMZEZQP-UHFFFAOYSA-N 296.327 -0.088 10 10 CBCE O=C1C[C@H](NC(=O)[C@H]2CNc3ccccc3N2)CN1 229150684 MWOFMUWBCSOMTF-GZMMTYOYSA-N 260.297 -0.103 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 252476411 HQCRLQXCMCVRHJ-MADCSZMMSA-N 288.307 -0.486 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2CCNCC2)cc1 1876171114 GRUSDQVOFOCYBM-UHFFFAOYSA-N 285.369 -0.117 10 10 CBCE CN1CCN[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 1967091002 ACDXKMTYESPRBV-ZDUSSCGKSA-N 262.357 -0.169 10 10 CBCE O=C1N[C@H]2CN(Cc3cc(Cl)ccc3O)C[C@H]2NC1=O 1974194549 QSRBYROYEYNAQW-AOOOYVTPSA-N 295.726 -0.156 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@H](O)C1 2068406575 MPOJDPWBBITZAZ-JGVFFNPUSA-N 254.242 -0.940 10 10 CBCE C[P@@]1(=O)C[C@@H](NC(=O)c2cc(O)nc(O)c2)[C@@H](O)C1 2121333211 KHZHPLGSGXCUNB-MMVHXTGXSA-N 286.224 -0.041 10 10 CBCE NCc1ccc(N2CC([C@H]3NC(=O)NC3=O)C2)c(F)c1 2184959905 NXGDKFXVHQIZSF-LLVKDONJSA-N 278.287 -0.071 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2cc(F)ccc2O)C[C@H]1O 2197473616 NIQGNNFNOLJHBO-DGCLKSJQSA-N 285.271 -0.086 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2CN[C@@H](CO)[C@@H]2C1 2235550550 SVOOLTUBARRGLL-GDPRMGEGSA-N 278.308 -0.250 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CN[C@@H](CO)[C@H]2C1 2235554002 FFGHBYFISVDUAA-DCAQKATOSA-N 278.308 -0.250 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(O)nc2=O)[C@@H](F)[C@H]1O 256829686 SNWCOSVWPQSOEU-VOQBNFLRSA-N 287.207 -0.824 10 10 CBCE C[C@@H](CNCc1ccc(O)c(O)c1O)S(N)(=O)=O 398268609 YUZNSFJKVLVKDP-LURJTMIESA-N 276.314 -0.430 10 10 CBCE NC(=O)C(NCc1cc(F)cc(F)c1O)C(N)=O 708503838 PQQNLUPWQRQEQC-UHFFFAOYSA-N 259.212 -0.901 10 10 CBCE NCCN(CCN)C(=O)CCOc1ccc(N)cc1 1876480490 RMKKDBRJGCJCNC-UHFFFAOYSA-N 266.345 -0.216 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCNC[C@@H]2O)cc1 1876539666 HMZFHBQQRXHGQY-NEPJUHHUSA-N 285.369 -0.589 10 10 CBCE COC[C@H](NCc1cc(OC)ccc1O)C(N)=O 2034941447 QOIBARYJJFHVLF-JTQLQIEISA-N 254.286 -0.009 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CNCCN1 2091749579 YZVRWTOIWKIPIY-JTQLQIEISA-N 265.313 -0.682 10 10 CBCE CN1CCN[C@@H](CNC(=O)c2cc(O)nc(O)c2)C1 2098258982 SSSMQSYZMJHGIN-VIFPVBQESA-N 266.301 -0.874 10 10 CBCE CN1CCOC[C@@H]1C(=O)NCc1cc(N)ccc1O 2099572977 RNQIVAWJBJNVGX-LLVKDONJSA-N 265.313 -0.079 10 10 CBCE COC[C@@H](CCO)NC(=O)c1cc(O)c(O)c(O)c1 2132347952 ANVSFNGNFYPKNX-MRVPVSSYSA-N 271.269 -0.069 10 10 CBCE O=C(NC[C@H]1CNC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132400688 OMADBQYNRWXKQZ-XCBNKYQSSA-N 268.269 -0.887 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC(OCCCO)C1 2141961414 QWXSQIMKIPLAJG-UHFFFAOYSA-N 268.269 -0.284 10 10 CBCE CNOCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2145968136 BRHRMMBQNCSEGR-MRVPVSSYSA-N 284.268 -0.639 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@H]1[C@H](O)CO 2146324024 RASVWNPQWOSRNN-JOYOIKCWSA-N 283.280 -0.708 10 10 CBCE CN1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CC12CCOCC2 2156883035 OSQPJJLPZHBFIY-GFCCVEGCSA-N 282.348 -0.005 10 10 CBCE COC[C@H]1CNCCN1C(=O)c1cc(O)c(O)c(O)c1 2188918027 BDNJHOMJCDLQGF-SECBINFHSA-N 282.296 -0.136 10 10 CBCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@H](CN)C1 2188918036 BHGQICCQBFDCRG-SECBINFHSA-N 281.312 -0.482 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@H]2COC[C@H]1C2 2198575032 ONDSCCJLXZORJJ-MXWKQRLJSA-N 278.308 -0.033 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(CN)c1 2220410090 VCGLPDXMDKAZAM-MFKMUULPSA-N 252.314 -0.057 10 10 CBCE CCN(CCC[C@H](C)N)CCOc1nnc(=N)[nH]n1 2226133836 MJPDLLWVRIRZMW-VIFPVBQESA-N 269.353 -0.493 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CCO[C@@H]2CNC3)C1 2264263213 LLGFACQDINTDDS-MRGUHSIWSA-N 252.314 -0.370 10 10 CBCE CNCc1nnc([C@H](N)c2ccc(O)c(O)c2O)o1 83483410 PGYVUKWFFPRTLP-MRVPVSSYSA-N 266.257 -0.046 10 10 CBCE C[C@@H](O)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 125981457 XZZCFGQMQZJPLF-SVGQVSJJSA-N 255.226 -0.338 10 10 CBCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@H](O)C2)cc1 227197368 OTVBOSLHQUOISL-TXEJJXNPSA-N 250.298 -0.235 10 10 CBCE CC(=O)N(C(=O)CNC(N)=S)c1ccc(N)cc1 243386594 MJSSTRIDPCIZLJ-UHFFFAOYSA-N 266.326 -0.019 10 10 CBCE CS(=O)(=O)NCC(=O)NCCOc1ccc(N)cc1 311887421 XKPSUIUDKXRFFK-UHFFFAOYSA-N 287.341 -0.687 10 10 CBCE NCCN1CCNC(=O)c2cc3c(cc21)OCCO3 527431574 OQKFGTHNJADJAV-UHFFFAOYSA-N 263.297 -0.034 10 10 CBCE NC(=O)N[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 700698565 VBNBDYIMPFHTJN-JTQLQIEISA-N 278.312 -0.083 10 10 CBCE CC(=O)C(=O)COC(=O)CS(=O)(=O)NC(C)(C)C 808516167 CLYPYTHSCDFEAN-UHFFFAOYSA-N 279.314 -0.594 10 10 CBCE NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cccc(O)c2O)O1 1622786962 GIIJXMOZBULYQF-XCBNKYQSSA-N 280.280 -0.140 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CNCCOC2)cc1 1876443553 LTTGAPYIMKMZFZ-NSHDSACASA-N 265.313 -0.248 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@H](CO)[C@@H](N)C2)cc1 1876495319 NRIWJFUHJHGJCR-AAEUAGOBSA-N 263.341 -0.021 10 10 CBCE Cn1c(=O)ccn(CC(=O)N2CC(N=[N+]=[N-])C2)c1=O 1912207987 OHGMNGMXVLGIOQ-UHFFFAOYSA-N 264.245 -0.932 10 10 CBCE N[C@@H](c1ccccc1O)[C@]1(O)CCS(=O)(=O)C1 1943688543 AAWJHDMVTKPSOP-QWRGUYRKSA-N 257.311 -0.058 10 10 CBCE O=C(O)[C@@H]1C(=O)NC[C@@H]1c1ccc(O)c(O)c1O 1951651495 QCKHEPVUQYQYJX-VDTYLAMSSA-N 253.210 -0.282 10 10 CBCE O=C(NC[C@H]1CCS(=O)(=O)N1)c1cccc(O)c1O 1965261080 BYWIGPSUHBDUKF-SSDOTTSWSA-N 286.309 -0.481 10 10 CBCE CNCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2127256822 DRQQVIPBLRBGQB-STQMWFEESA-N 264.325 -0.283 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(N)c1 2127271170 ZZMJQKKSLVDWKE-RYUDHWBXSA-N 266.297 -0.412 10 10 CBCE COC[C@@](O)(CO)CNC(=O)COc1ccc(N)cc1 2158608741 YVUUZBQOTDVTGH-ZDUSSCGKSA-N 284.312 -0.866 10 10 CBCE CNCc1cc(OC)ccc1N1C[C@@H](O)[C@H](O)C1 2220408225 GMXYQIWFURFRTJ-CHWSQXEVSA-N 252.314 -0.044 10 10 CBCE Cc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)ccc1CO 2225723587 BMLBYWKQEHKXOF-KBPBESRZSA-N 267.325 -0.218 10 10 CBCE NCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(F)c1F 2234107406 QTGFKMUILRNPLW-GWCFXTLKSA-N 288.294 -0.282 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@](O)(CO)[C@H](O)C1 2234108583 VMKDUUKDFQQPDB-MFKMUULPSA-N 283.280 -0.972 10 10 CBCE NCCNC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 48834762 SOQDPSSMGMDZNL-MRVPVSSYSA-N 283.284 -0.649 10 10 CBCE Nc1ccc(OCCC(=O)N2CC(=O)NC(=O)C2)cc1 97267290 GPHNOFYJOPRWLI-UHFFFAOYSA-N 277.280 -0.477 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 97292585 GRZMMYHINYONGK-KSBSHMNSSA-N 274.280 -0.510 10 10 CBCE NC(=O)[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCO1 170914244 BXLVWMFYCDVHBL-NSHDSACASA-N 281.268 -0.014 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@@H]1CO 236498427 SLZOIMCXCHUXFG-VIFPVBQESA-N 253.254 -0.069 10 10 CBCE C[C@H]1[C@@](NCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 379882494 BVPYICNHKKQSFW-POYBYMJQSA-N 261.307 -0.683 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC(CO)(CO)C1 694644456 IVTLLVWJTUPYFX-UHFFFAOYSA-N 268.269 -0.690 10 10 CBCE NC(=O)C1=NO[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1633157519 FLERUAOQOYDDAV-MRVPVSSYSA-N 293.279 -0.613 10 10 CBCE O=C(NCc1ccccc1O)[C@]1(O)CCNC[C@@H]1O 1890422160 PRJFZFLPWQUIEF-AAEUAGOBSA-N 266.297 -0.906 10 10 CBCE NC(=O)COC1CN(c2cc3c(cc2N)OCCO3)C1 2145374593 DVMZFRSJJSVDKS-UHFFFAOYSA-N 279.296 -0.270 10 10 CBCE O=C(N[C@@H]1CCO[C@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2188867697 FLCYUQZQACEAFK-LHLIQPBNSA-N 283.236 -0.225 10 10 CBCE C[C@@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1ccccc1O 2309043358 YSXXTPXFXSFRRP-UUSVDKIBSA-N 253.298 -0.102 10 10 CBCE N[C@@H](CO)C(=O)N1CCc2cc(O)c(O)cc2C1 2318627601 VQZXYTOLBWIKII-VIFPVBQESA-N 252.270 -0.698 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@H]3CO)ccc2[C@@H]1O 2335175070 SHDIPTHPKZJOBN-AUTRQRHGSA-N 264.281 -0.396 10 10 CBCE O=C(O)CCN(CCO)C(=O)c1cc(O)nc(O)c1 2342678074 YJGIXUIINDWYRG-UHFFFAOYSA-N 270.241 -0.598 10 10 CBCE CC(C)(CO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459777 DNEPGEDSXIACLV-VIFPVBQESA-N 268.313 -0.145 10 10 CBCE COCCNC(=O)CCNC(=O)c1cccc(O)c1O 126536275 ARHSJCOCINDRCG-UHFFFAOYSA-N 282.296 -0.020 10 10 CBCE COC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 159107030 LNHOOYPJECXYCN-ZCFIWIBFSA-N 256.214 -0.678 10 10 CBCE CNCc1ccc(N(CC(N)=O)CC(N)=O)c(Cl)c1 164019285 IRXGEKHMVJWHJC-UHFFFAOYSA-N 284.747 -0.164 10 10 CBCE O=C(NCCN1CCC(O)CC1)c1cc(O)nc(O)c1 321320210 SJBZNMCCEOYFOJ-UHFFFAOYSA-N 281.312 -0.321 10 10 CBCE O=S(=O)(CCN1CCNCC1)NCc1ccccc1O 722214953 PKAZYSQBOZLIOY-UHFFFAOYSA-N 299.396 -0.283 10 10 CBCE NC(=O)CN1CCN(Cc2cc(F)ccc2O)CC1=O 839170359 LLPWYSXYVYZPOO-UHFFFAOYSA-N 281.287 -0.339 10 10 CBCE O=C(NCc1nn[nH]n1)c1cc(O)c(O)c(O)c1 1148589713 IJLOBBWOIDDPBB-UHFFFAOYSA-N 251.202 -0.754 10 10 CBCE CN(Cc1nnn(C)n1)C(=O)c1cccc(O)c1O 1893008581 ZIVCEEDNFOVDTN-UHFFFAOYSA-N 263.257 -0.107 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 1912171866 PTKSRBOCEFMXCF-BDAKNGLRSA-N 287.345 -0.326 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC([C@@H](F)CO)C1 2048035513 HVERNDXIYSPBHG-QMMMGPOBSA-N 256.233 -0.105 10 10 CBCE CO[C@@H]1CNCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049787033 SKMJXGUERGYJOI-DNRKLUKYSA-N 254.330 -0.124 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 2105112573 CYADLCICJAIQJL-TXEJJXNPSA-N 286.353 -0.474 10 10 CBCE C[C@@H](O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 2117531664 QOLUETASJZMVMZ-APPZFPTMSA-N 268.269 -0.285 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2ccc(F)c(F)c2O)C1 2121364125 MJQKMYJZWZCTTQ-DTWKUNHWSA-N 293.291 -0.082 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCCC3(CO)CO)ccc21 2146075583 DRZRIDYXFPOUHZ-LBPRGKRZSA-N 277.324 -0.038 10 10 CBCE CN(C(=O)CN1CC(NC(N)=O)C1)c1ccc(N)cc1 2163214903 BHTPGDGISQATKH-UHFFFAOYSA-N 277.328 -0.416 10 10 CBCE COc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1 2165122097 LMMKWXYIFZGLCV-WNOKBXESSA-N 283.324 -0.094 10 10 CBCE Nc1ccc(CCC(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)cc1 2165122854 OLFZHPYVXGVZTG-WVWOOGAGSA-N 280.324 -0.827 10 10 CBCE CCN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CC(=O)NC1=O 2171193758 WWFKJBHJGBYILD-MRVPVSSYSA-N 278.264 -0.025 10 10 CBCE CN(C)[C@H]1COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926689 AOWUNHNEKJILCU-BDAKNGLRSA-N 282.296 -0.138 10 10 CBCE CNCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2201035464 QOONOVKDHAHJEO-NTZNESFSSA-N 288.294 -0.413 10 10 CBCE CC(=O)N[C@H](CCC(N)=O)C(=O)Nc1ccc(N)cc1 2236139780 CZDSTNCPUREOBW-LLVKDONJSA-N 278.312 -0.023 10 10 CBCE O=C(CN1CC(O)(CCO)C1)c1ccc(O)c(O)c1 2270659328 YGNUHCRKFZPAFV-UHFFFAOYSA-N 267.281 -0.290 10 10 CBCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CNC1 91411380 BXLVRDIKSMOMSE-VIFPVBQESA-N 280.280 -0.571 10 10 CBCE N[C@@H](CS(=O)(=O)Nc1ccc(O)cc1)C(=O)O 691764040 SSOOGLADQVKVDP-QMMMGPOBSA-N 260.271 -0.454 10 10 CBCE O=C1CC[C@H](C(=O)NCc2cc(O)ccc2O)N1 1471660847 BMPDHSXSPFXTPN-SECBINFHSA-N 250.254 -0.007 10 10 CBCE COC(=O)C1(O)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1558059730 IHPCXNHVSBDBPM-HYXAFXHYSA-N 293.275 -0.143 10 10 CBCE Nc1nnn(CC(=O)N2Cc3cccc(O)c3C2)n1 1643173636 ONZJJKHAXNRXAR-UHFFFAOYSA-N 260.257 -0.497 10 10 CBCE NC(=O)C1(CNC(=O)Nc2ccc(N)cc2)CNC1 1876165882 UELBFWJWECHGDX-UHFFFAOYSA-N 263.301 -0.535 10 10 CBCE [N-]=[N+]=NC1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1912182261 ZKZDDENEISJSKW-BDAKNGLRSA-N 260.319 -0.081 10 10 CBCE Nc1ccc(OC[C@@H](O)CN(CCO)C2COC2)cc1 1915544546 NIPSMIGHGLSQAK-ZDUSSCGKSA-N 282.340 -0.298 10 10 CBCE CN1C[C@H](NC(=O)c2cccc(O)c2O)[C@H](O)C1 2029861457 BNMHWSZQQARONI-WCBMZHEXSA-N 252.270 -0.498 10 10 CBCE O=C(NC[C@H](F)C1CNC1)c1cc(O)nc(O)c1 2050106520 XULUYLIPZXMXKB-QMMMGPOBSA-N 255.249 -0.220 10 10 CBCE COC1CN(S(=O)(=O)NCc2cc(N)ccc2O)C1 2105628931 VSGXFFAOWYIZQM-UHFFFAOYSA-N 287.341 -0.361 10 10 CBCE OC[C@@H]1C[C@H](NCc2cccc(O)c2O)[C@@H](O)[C@H]1O 2121475262 PNXXFXYXBNGRFA-WTTBSCSTSA-N 269.297 -0.710 10 10 CBCE Cn1cnc(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2132348006 BNLVNAKDEQJDGY-UHFFFAOYSA-N 264.241 -0.138 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@@H](O)[C@H]1CF 2140658945 QGRBRONZVJSZKU-FWWHASMVSA-N 272.232 -0.992 10 10 CBCE O=C1C[C@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)CN1 2163336910 YVCCLRPTOMJJET-CYBMUJFWSA-N 277.280 -0.155 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@H](C(=O)O)CO1 2165806106 WKNWUDIBYCVDGO-SVRRBLITSA-N 282.252 -0.193 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2ccc(O)c(O)c2)C[C@H]1O 2197473204 LJJPHWLAMGNPHQ-YPMHNXCESA-N 283.280 -0.520 10 10 CBCE NCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2218685269 OYWSHFMYRXSYBC-STQMWFEESA-N 252.314 -0.560 10 10 CBCE C[C@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCNC1=O 2273361150 OZXRGOBMXIYNGX-LBPRGKRZSA-N 283.353 -0.033 10 10 CBCE O=C(O)C[C@@H](O)[C@H]1NCCc2c1cc(O)c(O)c2O 75819354 GJJDTKJNIYKFPP-XCBNKYQSSA-N 269.253 -0.174 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@H](O)C1)NC(=O)CO2 236365904 BKEUSDQCOPLCDG-AOOOYVTPSA-N 265.269 -0.859 10 10 CBCE C[C@@H](CNC(=O)c1ccc(O)c(O)c1)S(N)(=O)=O 398372333 PUEKKXIGCMFPOL-LURJTMIESA-N 274.298 -0.495 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3CO)ccc21 698113607 GNTSXTXEVMEBTJ-AUTRQRHGSA-N 263.297 -0.430 10 10 CBCE O=C(NCC1CS(=O)(=O)C1)c1ccc(O)c(O)c1 702012487 PVTSASWKEPEIJO-UHFFFAOYSA-N 271.294 -0.128 10 10 CBCE CN1CC[C@](O)(CNC(=O)Cc2ccc(N)cc2)C1 702579527 NYGZNQVGGYUXKP-AWEZNQCLSA-N 263.341 -0.006 10 10 CBCE NC(=O)[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723171036 KRTUQDFIZUYNFC-CPCISQLKSA-N 260.297 -0.050 10 10 CBCE NC(=O)[C@H]1C[C@H](O)CN1C(=O)Nc1ccc(N)cc1 1876147855 AWSPAUXMWSDIBW-VHSXEESVSA-N 264.285 -0.279 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2(CO)CC(O)C2)cc1 1879546358 BNIXBGDMCKGGNY-UHFFFAOYSA-N 286.353 -0.426 10 10 CBCE Oc1ccc(F)cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046512991 ASHBYYKTSOJDEB-KLHWPWHYSA-N 257.261 -0.524 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CNC[C@@H]1O 2087728773 GUWCQUPWLUPEBG-CABZTGNLSA-N 266.297 -0.569 10 10 CBCE NC(=O)N1CC(CNC(=O)Cc2ccc(N)cc2)C1 2124809779 CCVHZNRKHURVQJ-UHFFFAOYSA-N 262.313 -0.062 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc21 2126910074 YASYBRRJNVDNSS-KBVBSXBZSA-N 263.297 -0.430 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1F 2127699706 GGRCDZHVFUCNSY-JTQLQIEISA-N 266.276 -0.926 10 10 CBCE NCc1ccc(N2CC([C@H]3NC(=O)NC3=O)C2)cc1 2128526322 MNZSRKBQXRMBST-LLVKDONJSA-N 260.297 -0.211 10 10 CBCE COC1(CN)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132404711 UFWYUUDBKJHOHW-UHFFFAOYSA-N 268.269 -0.397 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2136288302 UXYGLOCUHWZVEZ-GZFGJDTESA-N 271.288 -0.218 10 10 CBCE O=C1C[C@H](NC(=O)[C@H]2CNc3ccccc3N2)C(=O)N1 2152387983 JMSNEBIPFMARFX-VHSXEESVSA-N 274.280 -0.576 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O)c1ccc(O)c(O)c1 2166419099 QWQVOBFLBJKWJM-QIXLZMONSA-N 279.292 -0.042 10 10 CBCE NCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)cc1Cl 2166790767 KJTPQOKBOWZXIU-QWRGUYRKSA-N 294.742 -0.398 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2ccc(O)c(O)c2)C[C@@H]1O 2197473201 LJJPHWLAMGNPHQ-AAEUAGOBSA-N 283.280 -0.520 10 10 CBCE N=c1nnc(OC[C@@]23CCCN[C@H]2CCC3)n[nH]1 2219017036 IOKWUUNIEHRUGX-GZMMTYOYSA-N 250.306 -0.020 10 10 CBCE C[C@@H](CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 54335253 VPPOWZNPLOBSII-CBAPKCEASA-N 282.296 -0.196 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1cccc(O)c1O 83397876 TYGVBGWCCZAQRY-VIFPVBQESA-N 254.242 -0.613 10 10 CBCE O=C1CC[C@@H](NC(=O)c2cc(O)cs2)C(=O)N1 764874293 BZVROUBMPGWCDV-ZCFIWIBFSA-N 254.267 -0.011 10 10 CBCE CN(CCCN=[N+]=[N-])C(=O)CN1C(=O)CNC1=O 1912176787 DWAPUPFSANXTHG-UHFFFAOYSA-N 254.250 -0.303 10 10 CBCE COC1(C(=O)O)CN(C(=O)c2cc(O)nc(O)c2)C1 1917707550 XYZPYECWIORKMO-UHFFFAOYSA-N 268.225 -0.582 10 10 CBCE O=S1(=O)CCNC[C@@H]1c1ccc(O)c(O)c1O 1952524919 AZPIKNDHQFLFHX-MRVPVSSYSA-N 259.283 -0.138 10 10 CBCE N[C@@H]1C[C@H](O)[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1 2096480951 PRHJHINGGGRARU-YWVKMMECSA-N 266.297 -0.074 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)c2cc(O)nc(O)c2)C[C@H]1O 2116192521 WJFWDNIHMGEQGP-NBEYISGCSA-N 267.285 -0.679 10 10 CBCE O=C(NCC1CS(=O)(=O)C1)c1cc(O)c(O)c(O)c1 2132349756 HALUHHSURCVERT-UHFFFAOYSA-N 287.293 -0.422 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2136341838 LQGXDMUJSIPDGU-MELADBBJSA-N 266.341 -0.301 10 10 CBCE O=C(NC1(c2nn[nH]n2)CC1)c1cc(O)c(O)c(O)c1 2188913455 RZCGIJAWFSMHKK-UHFFFAOYSA-N 277.240 -0.264 10 10 CBCE Nc1ccc(OCC(=O)NCC2(O)CCNCC2)cc1 2191667484 IHVYUYMZXIWEDK-UHFFFAOYSA-N 279.340 -0.122 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@@H](O)[C@H]2C1 2312225308 CLHPNKKNWJQJPU-HRDYMLBCSA-N 250.254 -0.054 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2354485760 RAVPMGRMPWEUKH-LDZXTUBUSA-N 277.324 -0.367 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN(C2CNC2)CC1 126698385 DTCRVDLPXSHGEA-UHFFFAOYSA-N 277.324 -0.173 10 10 CBCE CN(C[C@@H](N)CO)c1ccc2c(c1)NC(=O)CO2 259145824 UWDSCGCUZVGKBD-MRVPVSSYSA-N 251.286 -0.227 10 10 CBCE O=C(O)c1cnn2c(O)cc(CN3CCOCC3)nc12 1326803224 COYJTZRMSDKMBF-UHFFFAOYSA-N 278.268 -0.035 10 10 CBCE O=C1CN(C(=O)c2cc(O)c(O)c(O)c2)CCN1 1866303092 KWIRDNCIHSDWPW-UHFFFAOYSA-N 252.226 -0.625 10 10 CBCE CN(C)c1ccc([C@H](N)C2(O)CS(=O)(=O)C2)cc1 2044748577 TYMJASXEFFRONC-NSHDSACASA-N 270.354 -0.088 10 10 CBCE CO[C@@H](C)[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2087687975 CIOZNCAOYAWXMY-SSDLBLMSSA-N 270.241 -0.289 10 10 CBCE C[C@@H](NCCCNS(N)(=O)=O)c1ccc(O)cc1O 2101324984 UOYXUCLRJZIITG-MRVPVSSYSA-N 289.357 -0.068 10 10 CBCE O=C1NC(=O)N2CCN(c3ccc(CO)cc3)C[C@H]12 2114809785 PSXAPIDJDSSPSZ-LLVKDONJSA-N 261.281 -0.081 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348209 GODVFRGZVRBCIH-QMMMGPOBSA-N 271.225 -0.933 10 10 CBCE N[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CO 2188924910 RPEHTJRDNQESLQ-BDAKNGLRSA-N 282.296 -0.415 10 10 CBCE Nc1ccc(NC(=O)N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2289487972 FEPNNOVUAFNMJC-JFUSQASVSA-N 281.312 -0.553 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@@H]4COC[C@@H]43)ccc21 2354368927 ONPWKJKXOGRBAE-GWNIPJSYSA-N 275.308 -0.166 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCNC(=O)CC2)cc1 62099629 VBMGRQTWIKQZEA-GFCCVEGCSA-N 279.340 -0.170 10 10 CBCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cn(CCCO)nn1 90639298 ODHHGQUMEIDCBV-SECBINFHSA-N 283.292 -0.226 10 10 CBCE C[C@@H](O)CN(CCO)c1cc2c(cc1N)OCC(=O)N2 380700762 GRMDYBMWYMVLQG-MRVPVSSYSA-N 281.312 -0.221 10 10 CBCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1nnc(N)n1 1632680996 KQLUIAJDWFPXKI-ZETCQYMHSA-N 292.299 -0.586 10 10 CBCE Nc1ccc(CC(=O)N2CCS(=O)(=O)CCN2)cc1 1876485540 ZQSWAEPFZHBDHQ-UHFFFAOYSA-N 283.353 -0.427 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNC[C@@H]2O)cc1 2071660855 UWGAJIIOVRGTMK-MNOVXSKESA-N 271.342 -0.979 10 10 CBCE NC[C@H](O)CNC(=O)CCOc1ccc(N)cc1 2071848315 OEBWKZXQZLPGDA-JTQLQIEISA-N 253.302 -0.527 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC[C@H](O)C(=O)O 2087724122 CNLRXAQJLXSMBL-VIFPVBQESA-N 269.253 -0.408 10 10 CBCE N=c1[nH]nc(C(=O)NCCc2ccc(O)c(O)c2)[nH]1 2091746211 CTHLQYKCNHJQAE-UHFFFAOYSA-N 263.257 -0.399 10 10 CBCE NC(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2106928770 XXBVKDPVAJSALI-JTQLQIEISA-N 262.269 -0.471 10 10 CBCE NCC12CC(CNC(=O)c3cc(O)nc(O)c3)(CO1)C2 2159558121 JHGMIHUWKMHVGE-UHFFFAOYSA-N 279.296 -0.270 10 10 CBCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(F)c1 2184131112 JGHMHCWCHMDSKP-RDDDGLTNSA-N 281.287 -0.331 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@@H]2N 2184735035 AUUVLTOLMQEUNU-RYUDHWBXSA-N 274.324 -0.577 10 10 CBCE Nc1ccc(NC(=O)NCC(=O)N2CCNCC2)cc1 2191516225 DEISJQKIYKTOQY-UHFFFAOYSA-N 277.328 -0.178 10 10 CBCE COC(=O)C1(NC(=O)CCc2ccc(N)cc2)CNC1 2191668510 VQFDAMWRYRXGOT-UHFFFAOYSA-N 277.324 -0.167 10 10 CBCE NC(=O)COCCN(CC(N)=O)Cc1ccc(N)cc1 2241079219 NBGAXBVTBVVSPY-UHFFFAOYSA-N 280.328 -0.942 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]1[C@H](O)CO 2258345633 LHHDLYYQFWIBIY-LDYMZIIASA-N 253.254 -0.335 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2260838493 IOSOUSLOZAOVEM-KGYLQXTDSA-N 252.314 -0.704 10 10 CBCE NC(=O)CN(CCOCCO)Cc1ccc(N)cc1 40229104 CLDBWFJSOWSVIO-UHFFFAOYSA-N 267.329 -0.435 10 10 CBCE COCCOCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 44727256 LAZSGUGWWXGJMZ-NSHDSACASA-N 298.339 -0.253 10 10 CBCE CNCCCNC(=O)[C@H](N)c1ccc(O)cc1O 83395662 PUCIOOKBSXVDMW-LLVKDONJSA-N 253.302 -0.177 10 10 CBCE C[C@H](O)CNC(=O)[C@@H](N)c1ccc(O)c(O)c1O 83414141 HHEXHZPJSJZMMG-XNCJUZBTSA-N 256.258 -0.700 10 10 CBCE N[C@H](c1nnc(Cn2cnnn2)o1)c1ccccc1O 83536998 HSKQGDSHZXNUAJ-JTQLQIEISA-N 273.256 -0.142 10 10 CBCE CO[C@H]1[C@@H](O)[C@H](CN=[N+]=[N-])O[C@@H]1n1ccc(=O)[nH]c1=O 164086513 QQTLIVFPXXFWEK-ZITKLIBNSA-N 283.244 -0.880 10 10 CBCE O=C(O)[C@H]1COCCN(C(=O)c2cc(O)nc(O)c2)C1 700441219 YVMCAGDRJSZNMX-MRVPVSSYSA-N 282.252 -0.334 10 10 CBCE Cc1ccc(C(=O)N[C@H](CO)c2nncn2C)c(O)c1O 1633498628 KFZCBLRDTDGKRI-SECBINFHSA-N 292.295 -0.002 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1OCCO1 2019440179 VJECCBXGYRZZQM-VIFPVBQESA-N 282.296 -0.543 10 10 CBCE CO[C@H]1CNCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049787032 SKMJXGUERGYJOI-BFLSOPEQSA-N 254.330 -0.124 10 10 CBCE Cc1cc(O)n2ncc(C(=O)NCC(=O)N(C)C)c2n1 2064570351 RPEXJTLCGWBUFX-UHFFFAOYSA-N 277.284 -0.439 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CC[C@H]2N 2128308855 KPAXHYZDIMQIBC-LLVKDONJSA-N 262.313 -0.590 10 10 CBCE O=C(NC[C@]1(O)CCNC1)c1cc(O)c(O)c(O)c1 2132408176 UYRBXDFXWNCPOG-LBPRGKRZSA-N 268.269 -0.742 10 10 CBCE Cc1cccc(O)c1CN1C[C@H](O)[C@H](O)[C@H]1C(=O)O 2136103953 UPCOINPILUQOOD-SRVKXCTJSA-N 267.281 -0.309 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@@H](O)C3)c(F)cc2[C@H]1O 2161395228 ZANJKAMFQWJERJ-NQYJQULFSA-N 282.271 -0.257 10 10 CBCE CN(C)c1ccc([C@H](O)[C@@]2(C(=O)O)C[C@H](O)CN2)cc1 2164762502 SNRVPJAHMDCEKN-SGMGOOAPSA-N 280.324 -0.036 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@H]2NCCNC2=O)cc1 2169194433 LLDLUCAKSVWMTC-LBPRGKRZSA-N 276.340 -0.543 10 10 CBCE Nc1ccc(N2C(=O)N[C@]3(CCS(=O)(=O)C3)C2=O)cc1 2172137889 OIGOGUYVKXERFF-LBPRGKRZSA-N 295.320 -0.118 10 10 CBCE NC[C@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CO1 2188917596 YDMXXKNNBJUTSF-IONNQARKSA-N 282.296 -0.103 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(CO)c1 2235969129 AAZSXIMTIOJIND-KBPBESRZSA-N 283.324 -0.518 10 10 CBCE CN(C)CCNC=C1C(=O)NC(=S)N(C2CC2)C1=O 2296082576 LZNJRENUKTXKSG-UHFFFAOYSA-N 282.369 -0.573 10 10 CBCE C[P@@]1(=O)C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2330855121 KHZHPLGSGXCUNB-UOSOUYSTSA-N 286.224 -0.041 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)[C@@H](CO)C1 315995443 AQEBSPGYCFRRBV-GMSGAONNSA-N 253.254 -0.477 10 10 CBCE C[C@@H]1[C@@](NCCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 380957831 RYMSCNKGKKLNBU-VXNVDRBHSA-N 275.334 -0.293 10 10 CBCE CNC(=O)CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N)cc1 394242085 SLTPTFWELOWDMC-MRVPVSSYSA-N 299.352 -0.243 10 10 CBCE NC[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@@H]1CCOC1 2049784439 LSTVWGPXLQMSIJ-GWOFURMSSA-N 254.330 -0.137 10 10 CBCE Cc1cc(O)n2ncc(C(=O)NCC[S@](C)=O)c2n1 2064927027 WTSYVZJEQYZUCT-IBGZPJMESA-N 282.325 -0.148 10 10 CBCE N[C@@H]1COC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2091748988 UYYPESXZHZLQDG-VHSXEESVSA-N 266.297 -0.270 10 10 CBCE N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1COC1 2104851946 VZEFHRVYYFCNPY-GFCCVEGCSA-N 266.297 -0.270 10 10 CBCE CC(=O)NC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132350646 PELRWMNIXKCIGY-UHFFFAOYSA-N 266.253 -0.236 10 10 CBCE N[C@H]1CCOC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132419868 XHELXPJKMQOWPM-YUMQZZPRSA-N 268.269 -0.351 10 10 CBCE CN1CCc2cc([C@H](O)[C@@H](N)c3nnn(C)n3)ccc21 2147914140 KJEALILSLXOYBX-NEPJUHHUSA-N 274.328 -0.064 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@H]3[C@H](O)CO)ccc21 2179795071 NLAWOZGAUGDCMR-XQQFMLRXSA-N 277.324 -0.040 10 10 CBCE O=C1NC[C@H]2CC[C@H]1N2C(=O)c1cc(O)c(O)c(O)c1 2188908207 ATEBMIQJLUXLBQ-HTQZYQBOSA-N 278.264 -0.094 10 10 CBCE CO[C@@H]1C[C@H](CN)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188913486 SEMMKBZDTXENDN-RKDXNWHRSA-N 282.296 -0.008 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CCC[C@@H]2O 2201007135 RHEFVQWVIVDVGH-LXTVHRRPSA-N 279.336 -0.041 10 10 CBCE Nc1ccc(CN2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2260792301 LVUCVLGHEJMJMX-DRZSPHRISA-N 252.314 -0.585 10 10 CBCE CCN(CCN=[N+]=[N-])C(=O)[C@@H]1CC(=O)NC(=O)N1 2315990566 ZYFFPMFQAIETDG-LURJTMIESA-N 254.250 -0.257 10 10 CBCE N[C@@H](C(=O)NC[C@@H](O)CO)c1cccc(F)c1O 83429648 ZKEUAWOFNHTNGJ-HZGVNTEJSA-N 258.249 -1.000 10 10 CBCE NC[C@@H]1COCCN1C(=O)c1cccc(O)c1O 126845012 NRSPTZSKWJUREQ-MRVPVSSYSA-N 252.270 -0.103 10 10 CBCE C[C@@H](c1ccccc1O)N(CC(N)=O)CC(N)=O 134020033 UKRTZFVIZDGNAC-QMMMGPOBSA-N 251.286 -0.274 10 10 CBCE COc1ccc([C@H](C)NC[C@H](O)C(N)=O)c(O)c1 228629455 LHKLAWPZSBSZLV-CPCISQLKSA-N 254.286 -0.102 10 10 CBCE CN(c1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 702048570 JEZLABSEEVDRPV-MNOVXSKESA-N 256.327 -0.137 10 10 CBCE O=C(N[C@H]1CCNC[C@@H]1O)c1cccc(O)c1O 710369461 NEJAWHRRFNSJSS-WPRPVWTQSA-N 252.270 -0.450 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@@H](F)[C@H]1O 1614606320 KTOLOIKYVCHRJW-VOQBNFLRSA-N 286.223 -0.705 10 10 CBCE NS(=O)(=O)NCCCNCc1cccc(O)c1O 2039802531 YJNGZEDCJLIBJW-UHFFFAOYSA-N 275.330 -0.629 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2081009124 LQZPPWKAFFHXFR-AVGNSLFASA-N 252.314 -0.691 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@](O)(CO)C1 2144018131 GIMCUFWLEWBRKZ-CQSZACIVSA-N 281.308 -0.014 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CCC3(CO)CO)cc21 2194351122 CJYOPSYCSWUNIB-GFCCVEGCSA-N 278.308 -0.370 10 10 CBCE N=c1nnc(OC[C@]23CCC[C@]2(F)CNC3)n[nH]1 2219012346 GHXKNUKFYTYTOU-ZJUUUORDSA-N 254.269 -0.460 10 10 CBCE CNCc1cc(OC)ccc1N1CC[C@@](O)(C(N)=O)C1 2235970105 LZNJJFVYLVLMFT-AWEZNQCLSA-N 279.340 -0.159 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@@H]1NCCc2cccc(O)c21 83660364 HWJIEUPMXNLOOP-MXWKQRLJSA-N 253.254 -0.615 10 10 CBCE OCCN(CCO)Cc1ccc(N2CCNCC2)cc1 84857371 CZFBQZIVXGTAOT-UHFFFAOYSA-N 279.384 -0.117 10 10 CBCE O=C1CC[C@H](NC(=O)c2cc(O)nc(O)c2)C(=O)N1 89752580 QIMGODRSUOYWMM-LURJTMIESA-N 265.225 -0.972 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@H](O)CO)cc1 90281803 SEPPPAIRCBTPPB-JTQLQIEISA-N 254.286 -0.493 10 10 CBCE CN[C@@H](C)c1ccc(N(CC(N)=O)CC(N)=O)cc1O 723171547 SJYJMQPOOVBNQL-QMMMGPOBSA-N 280.328 -0.550 10 10 CBCE C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccc(O)c1O 1303195550 VMUJKCMJOXTOFF-SSDOTTSWSA-N 288.325 -0.348 10 10 CBCE O=C(Cn1ccc(O)nc1=O)NCc1cc(O)ccc1O 1644752410 DWIPXNPKOKLHCG-UHFFFAOYSA-N 291.263 -0.324 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCNC[C@@H]1CO 1969442171 HHWIUHMCBBUUMT-SNVBAGLBSA-N 266.297 -0.567 10 10 CBCE O=C1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C(=O)N1 2034957473 LPEMRCPCCCDQRY-ZCFIWIBFSA-N 250.210 -0.757 10 10 CBCE NC(=O)CN(CC(=O)O)Cc1ccc(O)c(O)c1 2081020264 WDJTYKOXEQEAAU-UHFFFAOYSA-N 254.242 -0.530 10 10 CBCE Cc1nc(NN)[nH]c(=NCCc2ccc(O)c(O)c2)n1 2147995431 MEGSQJFQUKXVPD-UHFFFAOYSA-N 276.300 -0.047 10 10 CBCE COC1(C(N)=O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188921955 FGIYZWMTFSAPEQ-UHFFFAOYSA-N 282.252 -0.870 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CO[C@@H]3CNC[C@H]23)cc1 2191731151 PXANNZWUPCNPJJ-JHJVBQTASA-N 277.324 -0.249 10 10 CBCE O=C(N[C@@H]1CNC[C@@H](F)C1)c1cc(O)nc(O)c1 2219127006 OAACKXLZVBUDCT-YUMQZZPRSA-N 255.249 -0.077 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1 2273805155 IIRJWAWXVSIMQN-OXHMUOHRSA-N 271.288 -0.015 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(OC)c1C 2295378971 VJPPYBAAYBFUHB-GVXVVHGQSA-N 283.324 -0.085 10 10 CBCE O=C(NCc1ccccc1O)[C@H]1NCC[C@@H](O)[C@H]1O 2331508409 JEHBCPYRVOSKOQ-GRYCIOLGSA-N 266.297 -0.908 10 10 CBCE C[C@@H]1Cc2cc(N3C[C@@H](O)[C@@H](O)[C@H]3CO)ccc2O1 2333686946 HIXVBKOQBQJWJO-PBFTVQBMSA-N 265.309 -0.087 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)[C@H](O)C1 229886155 UPMDZERGDLADTL-SDDRHHMPSA-N 263.297 -0.543 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCC(CO)(CO)C3)ccc21 694723747 PXPMEVBRTRCGAX-GFCCVEGCSA-N 277.324 -0.180 10 10 CBCE CNC[C@@H](O)CN(C)C(=O)Cc1ccc(N)cc1 1354462147 MAGDZMNCEBWEQE-GFCCVEGCSA-N 251.330 -0.150 10 10 CBCE CCN(CC(N)=O)C(=O)Cc1ccc(O)c(O)c1 1449006915 FGBNLVYNWXHCGP-UHFFFAOYSA-N 252.270 -0.026 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC1(O)CNC1 2027483391 RBPGGCGVJYCOCP-UHFFFAOYSA-N 252.270 -0.909 10 10 CBCE C[C@H]1CNC(=O)CN1C(=O)Cc1ccc(O)c(O)c1 2124744680 FUEBOBFVUXEXPV-QMMMGPOBSA-N 264.281 -0.013 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@@H]4COC[C@H]43)ccc2[C@@H]1O 2158390923 AAPSRHAFXHFAHT-XEZLXBQYSA-N 276.292 -0.132 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@]23CN[C@@H](CO2)C3)cc1 2191759630 DMUZVLUJDZLZPV-BXUZGUMPSA-N 277.324 -0.105 10 10 CBCE C[C@H](NC(=O)[C@@H](N)C1CS(=O)(=O)C1)c1ccccc1O 2197522186 DJPQQAMITROTEV-UFBFGSQYSA-N 298.364 -0.059 10 10 CBCE CNC1(COc2nnc(=N)[nH]n2)CCSCC1 2213788648 ZHGPYJHRQYFYKW-UHFFFAOYSA-N 256.335 -0.457 10 10 CBCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)COC2(COC2)C1 2258428362 PQYWVGJJOMPUMV-SNVBAGLBSA-N 255.278 -0.310 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1COC(=O)C1 2296294266 RVHWMVCZKARHAR-BDAKNGLRSA-N 280.280 -0.601 10 10 CBCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1nnn[nH]1 44887078 WXEAEBYNWHCIRI-SSDOTTSWSA-N 282.329 -0.038 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CCS(=O)(=O)C1 170223375 JLMMSGAQEQMPRD-MRVPVSSYSA-N 286.309 -0.248 10 10 CBCE CNS(=O)(=O)CCNCc1cccc(O)c1O 230983339 MIRGCMUHBYMFGE-UHFFFAOYSA-N 260.315 -0.263 10 10 CBCE Nc1cc2c(cc1N1CC[C@@](O)(CO)C1)OCCO2 313651732 KUVXEONCTVXQPY-ZDUSSCGKSA-N 266.297 -0.027 10 10 CBCE Cn1ncnc1[C@@](C)(NCCCN=[N+]=[N-])C(N)=O 1912156301 LYHXRPXNFCJCGC-VIFPVBQESA-N 252.282 -0.194 10 10 CBCE CNC1(C(N)=O)CN(Cc2ccc(F)cc2O)C1 2084072964 CAGIVJCKVDHZLH-UHFFFAOYSA-N 253.277 -0.210 10 10 CBCE C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(O)cc1O 2121364981 RRUUWJKICJLRIB-HNBZJPLGSA-N 287.337 -0.094 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2161356223 DKKQSCAKCAMBGY-GBIKHYSHSA-N 277.324 -0.169 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCN=[N+]=[N-] 2220563683 KFNUXIWOXDTALK-ZETCQYMHSA-N 256.266 -0.817 10 10 CBCE NCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 34560037 QLKZYHAMOAGABF-QMMMGPOBSA-N 268.269 -0.442 10 10 CBCE N[C@H](CC(=O)O)C(=O)NCc1cccc(O)c1O 83397858 SVCBOLAEPFXUOS-SSDOTTSWSA-N 254.242 -0.484 10 10 CBCE COC(=O)C1(O)CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 714490836 LGZZINOBCWDMCM-JTQLQIEISA-N 278.264 -0.604 10 10 CBCE O=[N+]([O-])c1cc2c(cc1N1C[C@H](O)[C@@H](O)C1)OCCO2 1917256555 JISPHYDAXKIKCP-UWVGGRQHSA-N 282.252 -0.092 10 10 CBCE C[C@@H](NC(=O)c1cccc(O)c1O)C1(O)CNC1 1918697276 OXIKCKUTMNHZNH-SSDOTTSWSA-N 252.270 -0.450 10 10 CBCE COc1cccc(O)c1CN[C@H]1CN(C)NC1=O 2042579559 PHKYAKZUKVFWGU-VIFPVBQESA-N 251.286 -0.164 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCOC[C@H]1O 2046421376 HNMAUSNTGUVAJZ-NXEZZACHSA-N 251.286 -0.071 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CNC[C@@H]2COC3)C1 2049781672 XPFYJDCEGHOHIH-PRFIWBCESA-N 252.314 -0.512 10 10 CBCE NC(=O)CCCNC(=O)c1cc(O)c(O)c(O)c1 2068566055 HCTDDTOUVGARTA-UHFFFAOYSA-N 254.242 -0.201 10 10 CBCE COc1cccc(O)c1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2108826324 UWFVTLSSDYFGJW-UKWYHXRUSA-N 269.297 -0.655 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC(O)(CO)C3)cc21 2115310359 QOLQTUVXLJGSJM-LLVKDONJSA-N 264.281 -0.760 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(O)cc2O)[C@H](O)[C@@H]1O 2121476520 VUJOWTKZLWOASP-ZDAZMGEQSA-N 269.297 -0.710 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1NC[C@@H](O)[C@@H]1O 2136448591 YJMCLVHCBLQGCD-UTUOFQBUSA-N 266.297 -0.956 10 10 CBCE NC(=O)C1(NC(=O)c2cc(O)c(O)c(O)c2)CCC1 2231950047 YCPNBPDYOSLMES-UHFFFAOYSA-N 266.253 -0.059 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@H]1[C@H](O)CO 2258345943 NJJZOAZZQMZCFV-WCBMZHEXSA-N 253.254 -0.335 10 10 CBCE CO[C@H](CO)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2295306481 WWEHNTFIWIAFTK-UWVGGRQHSA-N 284.312 -0.909 10 10 CBCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1 40486834 ZLOQZKZKMHZNSD-NXEZZACHSA-N 294.307 -0.038 10 10 CBCE CS(=O)(=O)NCCN1C(=O)CSC1=S 59173209 NIOSMBMYWNXXDX-UHFFFAOYSA-N 254.358 -0.604 10 10 CBCE C[C@@H]1C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 110658757 BJKDOLKAMNTRPJ-RDDDGLTNSA-N 260.297 -0.037 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)[C@@H]1COC[C@H]1O 709221740 KJUVASOQEZDBGG-UTUOFQBUSA-N 263.297 -0.166 10 10 CBCE CN(C[C@@H](O)COc1ccc(N)cc1)[C@@H]1COC[C@H]1O 709400555 LFYHUBZCPSBTGH-MRVWCRGKSA-N 282.340 -0.300 10 10 CBCE O=C(CN1CC(=O)NC1=O)NCc1c(O)cccc1F 928712078 OLYPOQAPBPURRF-UHFFFAOYSA-N 281.243 -0.301 10 10 CBCE O=C1C[C@H](c2ccc(O)c(O)c2O)[C@H](C(=O)O)C(=O)N1 1951852139 BVSUBYHETHKSRL-XRGYYRRGSA-N 281.220 -0.366 10 10 CBCE O=C1N[C@H]2CN(Cc3ccccc3O)C[C@H]2NC1=O 1974194616 SQERQWMNVWKCDW-AOOOYVTPSA-N 261.281 -0.809 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@H]3OCC[C@@H]3N2)C1 2049783322 URAQGKQRRAOXLS-VGBILLHSSA-N 252.314 -0.229 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 2057716916 DQMKTVRGEBMSOE-PWSUYJOCSA-N 271.338 -0.052 10 10 CBCE C[C@@]12CC[C@@](C(=O)NCCN)(C(=O)C1=O)[C@]2(C)CF 2078859784 MSQWZCJJZWIRPI-UPJWGTAASA-N 270.304 -0.025 10 10 CBCE O=C(NC[C@@]12CN[C@@H](CO1)C2)c1cccc(O)c1O 2089423250 SJSYKVYTESTVBP-AMIZOPFISA-N 264.281 -0.042 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1CO 2122372862 BADNAYVITPRQHJ-IONNQARKSA-N 267.285 -0.726 10 10 CBCE Nc1ccc(CCN2CC([C@H]3NC(=O)NC3=O)C2)cc1 2184961637 YARXTESDYNEBCO-GFCCVEGCSA-N 274.324 -0.049 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CN)c(F)c1 2225701114 OKQOTHSLFKPTPL-JHJVBQTASA-N 270.304 -0.159 10 10 CBCE NCCCN1CCN(C(=O)c2cc(O)nc(O)c2)CC1 2234458944 JBZCZLSAHVNJHS-UHFFFAOYSA-N 280.328 -0.401 10 10 CBCE Nc1cc2c(cc1N1CC[C@H]1[C@@H](O)CO)OCCO2 2270705283 ODNDWIRNDCWWHX-ONGXEEELSA-N 266.297 -0.028 10 10 CBCE Nc1ccc(CCC(=O)NCC2(O)CS(=O)(=O)C2)cc1 2283038814 SWVKJKIDLNXBEW-UHFFFAOYSA-N 298.364 -0.523 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2289489377 UJYKUTCDXUGWNC-BPNCWPANSA-N 284.331 -0.305 10 10 CBCE CCOc1cccc(CNC(=O)[C@H](N)CO)c1O 83398175 HNDSDPHDXUHUNS-SECBINFHSA-N 254.286 -0.273 10 10 CBCE NC[C@@]1(NC(=O)c2ccc(O)c(O)c2)CCOC1 393962781 BCNIDEFQJIMCIE-LBPRGKRZSA-N 252.270 -0.055 10 10 CBCE NC(=O)N[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 690735321 LSHGYHRYXUDADC-WRWORJQWSA-N 276.296 -0.081 10 10 CBCE CS(=O)(=O)c1ncc([C@H](CO)N=[N+]=[N-])c(O)n1 1951552295 JZNQCDNIWBCJKR-YFKPBYRVSA-N 259.247 -0.071 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1CO)c1cc(O)nc(O)c1 2029857404 LCHZEGDPWQHSCK-JGVFFNPUSA-N 254.242 -0.770 10 10 CBCE NC[C@H]1C[C@@H](O)CN1C(=O)c1cccc(O)c1O 2060804265 OBSNUEOHPUGIAD-HTQZYQBOSA-N 252.270 -0.368 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CC(=O)NC2=O)cc1 2096079168 VSXFPOBURCKUCX-VIFPVBQESA-N 263.253 -0.821 10 10 CBCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 2181210264 BBURSGPJNLTQLW-SDDRHHMPSA-N 277.324 -0.041 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CO[C@@H]3CNC[C@H]23)cc1 2191644990 MNSIZDHDLVCULT-JHJVBQTASA-N 297.380 -0.325 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNCC[C@@H]2CO)cc1 2191790011 CRYLQGQSRKTEGC-DGCLKSJQSA-N 299.396 -0.341 10 10 CBCE CO[C@H]1[C@@H](NC(=O)COc2ccc(N)cc2)C[C@H]1O 2271172074 YMRGTQPLBUKBSI-LOWVWBTDSA-N 266.297 -0.088 10 10 CBCE CN(CC(N)=O)CC(=O)N(C)c1ccc(N)cc1 37273624 RWMHQUMJXZYGSL-UHFFFAOYSA-N 250.302 -0.351 10 10 CBCE CC[C@@H]1C(=O)NC(=O)CN1C(=O)c1ccc(O)c(O)c1 234075041 XAIJLPZWMFGZNV-MRVPVSSYSA-N 278.264 -0.025 10 10 CBCE O=C(O)CN1CCN(C(=O)c2ccc(O)c(O)c2)CC1 236417264 VNZMJGHESDPTDF-UHFFFAOYSA-N 280.280 -0.060 10 10 CBCE C[C@@H](c1c(O)cccc1O)N1CCNC[C@H]1C(N)=O 300442051 OOULKGQJYMAHRT-IUCAKERBSA-N 265.313 -0.082 10 10 CBCE NS(=O)(=O)CCNC(=O)Cc1ccc(O)c(O)c1 1291584919 JAQUXOSXHITSED-UHFFFAOYSA-N 274.298 -0.955 10 10 CBCE Cc1ccc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(O)c1O 1624591545 IXZMLGACBCSBKY-DTORHVGOSA-N 290.275 -0.249 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CNCCOC1 1971147513 VTTHIYJEJVUNCV-LLVKDONJSA-N 280.324 -0.008 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2cccc(F)c2O)C1 2057721589 UZAQIDNFXBFDKI-UWVGGRQHSA-N 275.301 -0.221 10 10 CBCE CN(C)c1ccc(CNS(=O)(=O)N(C)CCN)cc1 2104901887 DIPCLFRJDHZJQO-UHFFFAOYSA-N 286.401 -0.023 10 10 CBCE O=C(O)CO[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2153104000 FRDUSBVZFRZLAV-MRVPVSSYSA-N 282.252 -0.192 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@@H]2C[C@H]21 2171877680 OUVZFTVFHJASLM-OPQQBVKSSA-N 278.308 -0.033 10 10 CBCE COC[C@@H]1C[C@@H](CN)N(C(=O)c2cc(O)nc(O)c2)C1 2289496583 OXYFXMQRLCJZQQ-SCZZXKLOSA-N 281.312 -0.071 10 10 CBCE COC(=O)[C@H](O)CN1CCc2cc(O)c(O)cc2C1 2341197556 LAGCLUGFKBILPQ-GFCCVEGCSA-N 267.281 -0.010 10 10 CBCE O=C1C[C@H](N2CCc3cc(O)c(O)cc3C2)C(=O)N1 2341216568 MZGBSWMCEVKJFW-VIFPVBQESA-N 262.265 -0.129 10 10 CBCE Nc1cc(O)ccc1NS(=O)(=O)N1CCOCC1 236348878 SOAFNLKJLWYLIJ-UHFFFAOYSA-N 273.314 -0.037 10 10 CBCE O=C(CNCc1ccc(O)c(O)c1O)N1CCOCC1 312183219 UKLLUNUFPHKWIG-UHFFFAOYSA-N 282.296 -0.248 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)C[C@H]1CO 698125245 CTBJMKIZKKTXRT-DTWKUNHWSA-N 253.254 -0.335 10 10 CBCE CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCN=[N+]=[N-] 701323001 IGYHLGJMQRCNBC-SSDOTTSWSA-N 261.307 -0.163 10 10 CBCE CN(CCS(N)(=O)=O)C(=O)[C@@H]1CNc2ccccc2N1 719670825 VKUFXPUCALXZDF-NSHDSACASA-N 298.368 -0.361 10 10 CBCE COCC1(O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1628430762 USRPTUNVGMHHKA-UHFFFAOYSA-N 267.281 -0.140 10 10 CBCE CS(=O)(=O)CS(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912173184 ZQQGZZZKGJBQPD-LURJTMIESA-N 268.320 -0.297 10 10 CBCE CNCCS(=O)(=O)NCCc1ccc(O)c(O)c1 2031071543 UPAKFLHDRCJBIY-UHFFFAOYSA-N 274.342 -0.221 10 10 CBCE N[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(O)c(O)c2)C1 2049113604 LFOYOTBOPHCFSQ-RKDXNWHRSA-N 252.270 -0.368 10 10 CBCE CN(C)c1ccc(CNC(=O)CNCCO)cc1 2049616846 WRNBKOPGLPNDBI-UHFFFAOYSA-N 251.330 -0.049 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2ccc(O)c(O)c2)C1 2057721752 WCRNLCQGUXLLSF-GZMMTYOYSA-N 273.310 -0.655 10 10 CBCE Cc1cc(O)n2ncc(C(=O)NCC[S@@](C)=O)c2n1 2064927028 WTSYVZJEQYZUCT-LJQANCHMSA-N 282.325 -0.148 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](CO)C[C@@H]1CO 2089901570 MVNGLYNECKBTFU-VXNVDRBHSA-N 268.269 -0.692 10 10 CBCE O=C1Nc2cc(N3CC(O)(CO)C3)c(F)cc2[C@@H]1O 2115307572 DNNWXMXPRFDLHU-JTQLQIEISA-N 268.244 -0.645 10 10 CBCE CN(C)[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H]1O 2146138457 PSDVSUQCMQUQOL-CHWSQXEVSA-N 278.356 -0.186 10 10 CBCE CN[C@H]1COC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2148003917 LNYYOEPVMOYLNF-MNOVXSKESA-N 280.324 -0.009 10 10 CBCE CNC[C@@H](O)CN(C)c1cc2c(cc1N)OCC(=O)N2 2191894477 SLNNPNXTPMGNHB-MRVPVSSYSA-N 280.328 -0.384 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2205607222 FAJHQNDTLFUFRD-NTZNESFSSA-N 283.303 -0.417 10 10 CBCE COc1ccc(N2CC(OC)(C(N)=O)C2)c(CO)c1 2227711995 VEEODNOIKBFODU-UHFFFAOYSA-N 266.297 -0.122 10 10 CBCE CSc1ncc(CNC(=O)[C@@H]2NC[C@@H](O)[C@H]2O)s1 2256938383 UDVBIHRNJDBUFN-BWZBUEFSSA-N 289.382 -0.825 10 10 CBCE Nc1ccc(CCCN2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332922935 JQGUZPVEZNHNMI-MJBXVCDLSA-N 266.341 -0.400 10 10 CBCE O=C1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)C(=O)N1 227041562 HDZVYVOUGQOKLM-SSDOTTSWSA-N 264.237 -0.367 10 10 CBCE O=S1(=O)C[C@@H](c2cc(O)c(O)c(O)c2)NCCN1 1952450614 ICWYTWWYKDIKAI-ZETCQYMHSA-N 274.298 -0.633 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCN(C=O)CC2)cc1 2106723487 QEZFDNZBHHRIDN-UHFFFAOYSA-N 283.353 -0.127 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCOC[C@H]2CNC3)C1 2112574673 WZVBLTZRZDPETC-ZHSDAYTOSA-N 266.341 -0.122 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)c2ccc(O)c(O)c2)C[C@H]1O 2116188918 NFHPNEMNUPEWJI-JVUFJMBOSA-N 266.297 -0.074 10 10 CBCE O=C1N[C@H]2CN(c3ccc(CO)c(Cl)c3)C[C@@H]2NC1=O 2166791651 VGBBCYFBIJXURQ-QWRGUYRKSA-N 295.726 -0.365 10 10 CBCE Nc1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@H](CO)C2)c1 2273791138 ISTGNVZPZGUWAP-XDTLVQLUSA-N 268.313 -0.880 10 10 CBCE NCCS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2318662375 URPVJVHANHFPRY-UHFFFAOYSA-N 272.326 -0.256 10 10 CBCE Cc1cccc(O)c1CN1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)O 2332870830 UPCOINPILUQOOD-IJLUTSLNSA-N 267.281 -0.309 10 10 CBCE N[C@H](CC(=O)O)C(=O)NCc1cccc(F)c1O 83413900 VBWNNOAULHPHGT-MRVPVSSYSA-N 256.233 -0.051 10 10 CBCE COC(=O)CCNC(=O)[C@@H](N)c1ccc(O)c(O)c1 83496884 ZEUQOACHJXTCPJ-NSHDSACASA-N 268.269 -0.223 10 10 CBCE CON(C)C(=O)CNC(=O)Cc1ccc(N)cc1 397538983 STDJAIGJOZFCPB-UHFFFAOYSA-N 251.286 -0.053 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@@H]1CO)OCCO2 704727208 KOLAEYAFOYBSAC-BDAKNGLRSA-N 266.297 -0.028 10 10 CBCE C[C@@H](N)c1ccc(N(CC(N)=O)CC(N)=O)c(F)c1 723167767 WJYKVDAVZOOYCN-SSDOTTSWSA-N 268.292 -0.378 10 10 CBCE CN1C(=O)CN=C1NC(=O)Cc1ccc(O)c(O)c1 1168504017 DVLLWDGPYDTPKB-UHFFFAOYSA-N 263.253 -0.416 10 10 CBCE CC(C)(C)OC(=O)N[C@@H]1[C@H]2O[C@@H](C(=O)C2=O)[C@@H]1C(=O)O 1848349882 BJBLGEJRQAEIBT-NFNBNWGISA-N 285.252 -0.500 10 10 CBCE NC(=O)C1(O)CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 1915237207 BTHDBIXTSBRXTE-SECBINFHSA-N 297.698 -0.638 10 10 CBCE Cn1nccc1[C@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049786549 NDJIEGYJSJBOGF-LAEOZQHASA-N 250.302 -0.315 10 10 CBCE O=[N+]([O-])c1cc(CO)ccc1N1CC(O)(CO)C1 2051898122 WGXFVVSEKKHUEZ-UHFFFAOYSA-N 254.242 -0.370 10 10 CBCE N[C@@]1(CO)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 2144018317 HFYISRQHCFGPAK-AWEZNQCLSA-N 280.324 -0.048 10 10 CBCE O=C(O)C[C@H]1COC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2187923466 CXDGHKYJRZFIBI-YUMQZZPRSA-N 282.252 -0.288 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@](N)(C(=O)O)C2)cc1 2191702956 XNCHGNVRMCXGPH-UMSPYCQHSA-N 299.352 -0.367 10 10 CBCE N[C@H]1CCc2cc(N3CC[C@@](O)(CO)[C@@H](O)C3)ccc21 2234097600 VIDJJMXAAAAMPS-SOUVJXGZSA-N 278.352 -0.073 10 10 CBCE CO[C@@H]1[C@H](O)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2271171750 YJVLLLLOUVTFIN-UTUOFQBUSA-N 286.353 -0.164 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@]2(O)CCOC2)cc1 227100269 XAUZBCCUMBOLCD-GFCCVEGCSA-N 286.353 -0.160 10 10 CBCE COC1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 311329515 FSLAHBBGZZEBCJ-JTQLQIEISA-N 266.297 -0.175 10 10 CBCE C[C@@H](O)[C@@H](O)CNCc1cc2c(cc1O)OCO2 717287488 IRTLZRGGEOAQMS-XCBNKYQSSA-N 255.270 -0.048 10 10 CBCE CN(CCS(N)(=O)=O)C(=O)Cc1ccc(N)cc1 719715300 DTOPRBIFNURGFK-UHFFFAOYSA-N 271.342 -0.442 10 10 CBCE Nc1ncn(CC(=O)NCc2ccc(O)cc2O)n1 1626850440 VOFRROMEDGPQBK-UHFFFAOYSA-N 263.257 -0.412 10 10 CBCE Nc1ccc(CC(=O)NCCN2CC[C@@H](O)C2)cc1 1865957039 QSZLVMBTBIRBMF-CYBMUJFWSA-N 263.341 -0.006 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)CN1C(=O)CN(C)C1=O 1912154249 BGCMPVRPEDOUKD-UHFFFAOYSA-N 254.250 -0.351 10 10 CBCE Nc1ccc(CNS(=O)(=O)C2CS(=O)(=O)C2)cc1 1917979167 QDPHJQLSPFFAEM-UHFFFAOYSA-N 290.366 -0.515 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(O)c1O 2060802399 OBSNUEOHPUGIAD-JGVFFNPUSA-N 252.270 -0.368 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCNC[C@H]1O 2071716445 PPPNJYMSDHJWNI-NXEZZACHSA-N 250.302 -0.498 10 10 CBCE COc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(N)c1 2090138792 MICWLWUQDFWPES-STQMWFEESA-N 268.313 -0.164 10 10 CBCE C[C@H](NC(=O)[C@@H]1NC[C@@H](O)[C@H]1O)c1ccccc1O 2136444987 OEJOHRVANKWBNC-FZVWWSIASA-N 266.297 -0.737 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@@H]1CC(=O)NC1=O 2171207484 VKYGILOYZMSPIP-MWLCHTKSSA-N 274.280 -0.510 10 10 CBCE Nc1ccc(CC(=O)N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2183645811 ZVPZGUZWXCDYAV-YPMHNXCESA-N 278.308 -0.856 10 10 CBCE N=c1nnc(OCC2CCC(F)(CN)CC2)n[nH]1 2219013406 RTNWKLVRLKDLBP-UHFFFAOYSA-N 256.285 -0.085 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CO)c(OC)c1 2233880896 ZOBDXETXIZCSAK-DYEKYZERSA-N 283.324 -0.256 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@@H]1[C@H](O)[C@H](O)C2 2357024386 FVQKKADVEZXAOT-HAYRHPOISA-N 280.280 -0.409 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCCNC2=O)cc1 50397208 XSSYYSNWXUKIHV-NSHDSACASA-N 283.353 -0.033 10 10 CBCE C[C@H]1[C@H](O)[C@](CO)(N=[N+]=[N-])O[C@H]1n1ccc(N)nc1=O 88368125 DEUZIURSVQYVJZ-UUCPZDEKSA-N 282.260 -0.650 10 10 CBCE O=C1C[C@@H](NC(=O)[C@H]2CNc3ccccc3N2)CN1 229150694 MWOFMUWBCSOMTF-LDYMZIIASA-N 260.297 -0.103 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@H](O)C1 400006009 YTQBWQUNPIKDMY-MRVPVSSYSA-N 253.254 -0.069 10 10 CBCE O=CNCCCNC(=O)c1cc(O)c(O)c(O)c1 1865875809 IUCKVENUQIGMHZ-UHFFFAOYSA-N 254.242 -0.331 10 10 CBCE CN1C[C@@](NCCCN=[N+]=[N-])(C(N)=O)CCC1=O 2068225074 YKJVCNIFNHFUPY-SNVBAGLBSA-N 254.294 -0.247 10 10 CBCE Nc1ccc(NC(=O)NCC2(CO)CNC2)cc1 2081959964 STZYWXVSFLROFP-UHFFFAOYSA-N 250.302 -0.028 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@H](O)C2)cc1OC 2084013073 ZAKJXXVSSGOWOC-VXGBXAGGSA-N 252.314 -0.044 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@](O)(CO)C1 2087723268 UDFYSBPXRMXNTN-ZDUSSCGKSA-N 267.281 -0.404 10 10 CBCE NCCN(C(=O)c1cc(O)c(O)c(O)c1)C1COC1 2132405132 XDHKYHGBCLXQIQ-UHFFFAOYSA-N 268.269 -0.397 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166789080 OWQYLRRVOHURNW-FXAINCCUSA-N 275.308 -0.457 10 10 CBCE NC(=O)NCC1CN(CC(=O)c2ccc(O)c(O)c2)C1 2187285133 AUWDVAOHBULNDI-UHFFFAOYSA-N 279.296 -0.119 10 10 CBCE NC(=O)[C@@H]1C[C@H](N)CN(C(=O)Cc2ccc(N)cc2)C1 2191721643 XRRGQZPUEUIBTB-PWSUYJOCSA-N 276.340 -0.528 10 10 CBCE O=[N+]([O-])n1cnc(/N=N/c2ncn([N+](=O)[O-])n2)n1 38846626 CYBGDRMIRWXCTP-BQYQJAHWSA-N 254.126 -0.635 10 10 CBCE CC(C)(NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 40911522 XWYVTTYAPOHYLO-QMMMGPOBSA-N 282.296 -0.053 10 10 CBCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H]1CNC(=O)CN1 230880561 JBPFADZOERRPJZ-ONGXEEELSA-N 277.324 0.000 10 10 CBCE NCCCC[C@@H](NC[C@@H]1SC(=S)NC1=O)C(=O)O 247706561 FLDSVSUIAHKEOU-RQJHMYQMSA-N 291.398 -0.325 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](CO)[C@@H](O)C1)OCCO2 316213354 SSDNYWURFVYVPF-KWQFWETISA-N 266.297 -0.171 10 10 CBCE NC(=O)[C@@]1(O)CCN(Cc2cc(N)ccc2O)C1 394085652 VXPDMKAPDCUHHF-GFCCVEGCSA-N 251.286 -0.604 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2CNC(=O)C2)cc1 398343763 FMLMRJPETRSQFL-VIFPVBQESA-N 263.297 -0.100 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@@H]3CO)c(F)cc2[C@@H]1O 698135045 ACRGZXHONKEULU-QHMRUWFYSA-N 282.271 -0.257 10 10 CBCE CN1C[C@@H](C(=O)NCCc2ccc(N)cc2)NC1=O 852797017 ZIZHWKSMDKMECO-NSHDSACASA-N 262.313 -0.049 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2[C@@H]3CNC[C@@H]23)cc1 2071667044 FISDIPHQTPYBNQ-GHMZBOCLSA-N 267.354 -0.094 10 10 CBCE O=C(NC[C@@]1(O)CCCNC1)c1ccc(O)c(O)c1 2101321788 LMAMMAHLVBXYOZ-CYBMUJFWSA-N 266.297 -0.058 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2104427782 YEYQEGQDTZTNBW-SDOWVZNUSA-N 265.265 -0.336 10 10 CBCE Nc1ccc(CN2CC([C@@H]3NC(=O)NC3=O)C2)cc1 2128530356 NEWQOKIILSMCBB-NSHDSACASA-N 260.297 -0.091 10 10 CBCE COC[C@@H](CCN)NC(=O)c1cc(O)c(O)c(O)c1 2132411072 RXNOSSCYYFKEJC-MRVPVSSYSA-N 270.285 -0.103 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCN(C=O)CC2)cc1 2162932001 KDXPCNNMCZJXBQ-ZDUSSCGKSA-N 279.340 -0.218 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 2207462057 TYITWDASHFBJPK-NXEZZACHSA-N 299.352 -0.408 10 10 CBCE N=c1nnc(OCCC2C[C@@H]3CC[C@H](C2)N3)n[nH]1 2219021044 LPPGBRVIGMHBIY-CBLAIPOGSA-N 250.306 -0.021 10 10 CBCE CNCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2225721489 KHQBIKLRLAVJIU-ZIAGYGMSSA-N 266.341 -0.300 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1OC 2235126139 DFWXGKKZSFMJRQ-KGLIPLIRSA-N 283.324 -0.002 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1ccc(OC)cc1O 83496881 AUOVCDNPDURTIX-NSHDSACASA-N 268.269 -0.310 10 10 CBCE Nc1ccc(CC(=O)NC(C(=O)O)C(=O)O)cc1 311031180 SQQYGHPMMLMCMZ-UHFFFAOYSA-N 252.226 -0.535 10 10 CBCE COc1cccc(CN[C@@H]2CN(C)NC2=O)c1O 393895573 UQXCWXBUYNWQAI-SECBINFHSA-N 251.286 -0.164 10 10 CBCE O=C(NC[C@@H]1CCC2(CNC2)O1)c1cc(O)nc(O)c1 690570265 AFHYWWGGIAWGRN-VIFPVBQESA-N 279.296 -0.256 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N(C)[C@@H]3CCNC3=O)cc21 1916805108 YWXLKTCZKZJCSH-PWSUYJOCSA-N 274.324 -0.013 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2C[C@@H]2N)cc1 2071667636 NELJXAIZWCFJMD-WDEREUQCSA-N 271.342 -0.333 10 10 CBCE NCc1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 2114209643 VSSQAQWIBHUAAR-ZDUSSCGKSA-N 260.297 -0.066 10 10 CBCE CN(C)CC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2144804734 AVMJFQQMTSIZDU-MRVPVSSYSA-N 283.284 -0.373 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@@H]2N 2184735034 AUUVLTOLMQEUNU-NWDGAFQWSA-N 274.324 -0.577 10 10 CBCE O=C(N[C@@H]1COC2(CCC2)[C@@H]1O)c1cc(O)nc(O)c1 2206471581 OEPNIRCKPXYJKM-LDYMZIIASA-N 280.280 -0.095 10 10 CBCE CC(C)(C)OC(=O)N1CCN(Nc2nnc(=N)[nH]n2)CC1 2209555200 ABKMKKBMCNROHR-UHFFFAOYSA-N 296.335 -0.441 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC[C@@]2(O)CCNC2)cc1 2238461335 QSMXKVRQMIOSQE-ZDUSSCGKSA-N 299.396 -0.197 10 10 CBCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2332919526 CRBIFGCOVHKWGU-TUAOUCFPSA-N 290.722 -0.160 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC([C@H](O)CO)C2)cc1 2336776478 PJWHEOGQKGBDEO-GFCCVEGCSA-N 286.353 -0.616 10 10 CBCE COC(=O)CN(CC(=O)OC)C(=O)c1cc(O)nc(O)c1 61875764 PEHMEFUXNGMKDF-UHFFFAOYSA-N 298.251 -0.719 10 10 CBCE CN1C(=O)CN(c2ccc([C@@H](N)CO)cc2)CC1=O 258413587 LHUKDTWJGTXYAI-NSHDSACASA-N 263.297 -0.516 10 10 CBCE C[C@@H]1CN(C[C@H](O)COc2ccc(N)cc2)CC(=O)N1 395682809 ASWRRLSDGRFVGF-PWSUYJOCSA-N 279.340 -0.171 10 10 CBCE NCC1(NC(=O)c2cc(O)nc(O)c2)CCOCC1 705557371 ZOVMGCVTQWYYNT-UHFFFAOYSA-N 267.285 -0.270 10 10 CBCE O=C(NCc1c(O)cccc1O)C1(n2cnnn2)CC1 1178917342 NUYVESOKDJQLNG-UHFFFAOYSA-N 275.268 -0.110 10 10 CBCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1c(O)cccc1F 1596913420 XTFIQQACSLEXRM-QMMMGPOBSA-N 281.243 -0.254 10 10 CBCE O=C(NCc1cccc(O)c1O)C1(n2cnnn2)CC1 1637046748 WXFFEIYVPWZKBX-UHFFFAOYSA-N 275.268 -0.110 10 10 CBCE N=c1nnc(OCC[C@H](N)COCc2ccccc2)n[nH]1 1892276427 WIXGVAJZASQDLU-NSHDSACASA-N 290.327 -0.008 10 10 CBCE [N-]=[N+]=NCCCCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1912165033 FFYKXNFQHRLJDG-YUMQZZPRSA-N 254.294 -0.405 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 1912167159 HJMNGIVFXBXGLU-MRVPVSSYSA-N 275.334 -0.468 10 10 CBCE NC[C@@H]1COC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2029839877 CMNZIGWREUCCCL-BDAKNGLRSA-N 252.270 -0.199 10 10 CBCE C[C@@H](N)Cc1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2099143428 OJOYTMROBSUGRH-RXMQYKEDSA-N 299.381 -0.034 10 10 CBCE CO[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1N 2122510070 NDHBVSNKADJJJE-JOYOIKCWSA-N 266.297 -0.175 10 10 CBCE Cn1nncc1S(=O)(=O)NCCOc1ccc(N)cc1 2144448270 WETHCESDPNSCBN-UHFFFAOYSA-N 297.340 -0.245 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC2(C1)OCCC[C@@H]2O 2159649169 ZAIXVKKDRMRLDO-VIFPVBQESA-N 280.280 -0.141 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@]1(CO)CCNC1 2159949203 ZRBAQTMOVMOVPL-CQSZACIVSA-N 280.324 -0.272 10 10 CBCE NCc1ccc(N2CC([C@@H]3NC(=O)NC3=O)C2)c(F)c1 2184959906 NXGDKFXVHQIZSF-NSHDSACASA-N 278.287 -0.071 10 10 CBCE C[C@H](c1ccc(O)cc1O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)O 2200862907 OMRMFXYVLZROPN-VYLNZQIESA-N 283.280 -0.351 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCO[C@H]2CNC3)C1 2264263212 LLGFACQDINTDDS-LKAMGYQZSA-N 252.314 -0.370 10 10 CBCE C[C@@H](O)[C@@H](CO)NC(=O)CCOc1ccc(N)cc1 395552564 AGLQGXSZQVCCDG-BXKDBHETSA-N 268.313 -0.104 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 693463142 QBEUXAHSAUFXJZ-ZHAHWJHGSA-N 277.324 -0.237 10 10 CBCE COCC(=O)NCCC(=O)NCc1c(O)cccc1O 1456235830 OVWPYZXHARXRKH-UHFFFAOYSA-N 282.296 -0.133 10 10 CBCE CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C1CC(O)C1 1914579195 XGXPVJDHLJODFT-ILDUYXDCSA-N 280.324 -0.051 10 10 CBCE O=[N+]([O-])c1cccc(O)c1[C@@H]1CS(=O)(=O)NCCN1 1952941457 COBIECWUQHTYOO-ZETCQYMHSA-N 287.297 -0.136 10 10 CBCE C[C@H](CN)NS(=O)(=O)CCOc1ccc(N)cc1 2071665202 FFNCLHJXIKKZFV-SECBINFHSA-N 273.358 -0.086 10 10 CBCE O=c1c2c(ccn1C[C@H]1C[C@H](CO)CO1)CCNC2 2099393004 UMBULUOILQYYII-ZYHUDNBSSA-N 264.325 -0.109 10 10 CBCE C[C@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2127699360 JGVAEEKUCDNKDL-GZMMTYOYSA-N 262.313 -0.504 10 10 CBCE O=C(NC1CC(O)(C(=O)O)C1)c1ccc(O)c(O)c1 2127782657 VLOJJUWULGCHAC-UHFFFAOYSA-N 267.237 -0.194 10 10 CBCE C[C@@]1(O)CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 2136876415 FOCKVBFTSVCUCE-QPUJVOFHSA-N 268.269 -0.549 10 10 CBCE C[C@@]1(O)CCN(C(=O)COc2ccc(N)cc2)C[C@H]1O 2197969332 YMHDQYJLXIXVNE-TZMCWYRMSA-N 280.324 -0.008 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2199432870 AHUOOKKBSWYJTF-IVOXQJEKSA-N 280.280 -0.551 10 10 CBCE COc1ccc(CN2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)c(O)c1 2200855351 BAFMXQDOVJCYRV-TUAOUCFPSA-N 283.280 -0.609 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CO)cc1 2218513453 QHMXBJNOCHDSSN-AGIUHOORSA-N 253.298 -0.264 10 10 CBCE N[C@@H](CN1CCc2cc(O)c(O)cc2C1)C(=O)O 2318654007 IJGLPZRABPYSFO-VIFPVBQESA-N 252.270 -0.132 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1O 2331868383 BXHBVRYIBTVEJN-NXEZZACHSA-N 269.253 -0.365 10 10 CBCE O=C(NC[C@@H]1CNCCO1)c1cc(O)nc(O)c1 134255173 TVTCEMGVFGLPIH-QMMMGPOBSA-N 253.258 -0.789 10 10 CBCE O=C(CN1CCOC[C@@H]1CO)c1ccc(O)c(O)c1 168294196 UVZGQSHLJGPKSL-JTQLQIEISA-N 267.281 -0.026 10 10 CBCE CN(C(=O)CS(=O)(=O)CCC(N)=O)c1ccc(N)cc1 399252311 MYLGNAKSHPFJBG-UHFFFAOYSA-N 299.352 -0.478 10 10 CBCE CS(=O)(=O)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 1451467014 HCLFINNRMFVFEI-UHFFFAOYSA-N 285.321 -0.104 10 10 CBCE Cn1ncnc1C1(O)CN(C(=O)c2cccc(O)c2O)C1 1589652870 RTUUJZQEXXCZIN-UHFFFAOYSA-N 290.279 -0.430 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2CNC[C@@H]2O)cc1 1876519001 IPQNBNQIJJLTJL-SKDRFNHKSA-N 265.313 -0.656 10 10 CBCE O=c1c2c(ccn1C[C@@H]1COCCO1)CCNC2 2033371466 RNZSPLYEOYYTJG-LLVKDONJSA-N 250.298 -0.091 10 10 CBCE C[C@H](CS(N)(=O)=O)NC(=O)Cc1ccc(N)cc1 2035452781 IFUBNAHBYUZYMK-MRVPVSSYSA-N 271.342 -0.396 10 10 CBCE CN(C)c1ccc([C@@H](N)C2(O)CS(=O)(=O)C2)cc1 2044748576 TYMJASXEFFRONC-LLVKDONJSA-N 270.354 -0.088 10 10 CBCE C[C@H](NC(=O)c1ccc(O)c(O)c1)[C@@H](O)C(=O)O 2056769339 ORQUUVUKFZPTSK-SSDLBLMSSA-N 255.226 -0.338 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@H](CCO)C1 2116235208 ZPBVLHFZITUICZ-SECBINFHSA-N 268.269 -0.284 10 10 CBCE OCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2136282393 ASSOZIGYGBTLDT-JFGNBEQYSA-N 275.251 -0.640 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NC(=O)COc1ccc(N)cc1 2174099583 CSELPIADBHFAEH-PWSUYJOCSA-N 279.296 -0.593 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1NCCNC1=O 2192570188 OHHKZGWSPHWJPI-SKDRFNHKSA-N 277.324 0.000 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2260865028 LNVVQPMLRQEQOM-ICCXJUOJSA-N 253.298 -0.155 10 10 CBCE O=C(NC12COC(C(=O)O)(C1)C2)c1cc(O)nc(O)c1 2280678679 HTMZJDQHTOEUPQ-UHFFFAOYSA-N 280.236 -0.391 10 10 CBCE Nc1ccc(OCCC(=O)NC2CNCCNC2)cc1 2287640935 AGGPWQHHELFJPX-UHFFFAOYSA-N 278.356 -0.285 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2354482613 LFTFKCFBIAYEER-LDZXTUBUSA-N 278.308 -0.400 10 10 CBCE Nc1ccc(NC(=O)NCCS(N)(=O)=O)cc1 36746134 NXTWEXIFGOXZKP-UHFFFAOYSA-N 258.303 -0.321 10 10 CBCE COC(=O)[C@@H](CO)NCc1ccc(O)c(O)c1O 83419034 FMHXUPNFUBVSSL-SSDOTTSWSA-N 257.242 -0.573 10 10 CBCE CS(=O)(=O)NCCNC(=O)[C@H]1CNc2ccccc2N1 229877368 CXLQKQFKHLHJRZ-LLVKDONJSA-N 298.368 -0.442 10 10 CBCE CCN(CC(N)=O)S(=O)(=O)Cc1ccc(N)cc1 231813063 HTLQPEXCLCFONZ-UHFFFAOYSA-N 271.342 -0.094 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N(C)C(CO)CO)cc21 311856463 JMBBAWJJBVAURL-LBPRGKRZSA-N 265.313 -0.548 10 10 CBCE CN(Cc1nn[nH]n1)C(=O)COc1ccc(N)cc1 706740146 ZRGMAKGKGSVBRD-UHFFFAOYSA-N 262.273 -0.181 10 10 CBCE CC(=O)C(=O)COC(=O)c1cnn2c1OCCC2 795712126 ZWXKKWCVCQSTAC-UHFFFAOYSA-N 252.226 -0.020 10 10 CBCE O=C(CN1C(=O)CNC1=O)NCc1c(O)cccc1F 1351000471 SVHDVJUQPNWSGE-UHFFFAOYSA-N 281.243 -0.301 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@@H](CO)C1 1642402634 ZHSWDXCYSZJHHU-SKDRFNHKSA-N 267.281 -0.548 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CNCC[C@@H]2O)cc1 1876407364 XWGOJFLYPDPPGR-RYUDHWBXSA-N 285.369 -0.589 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@]2(O)CCNC2)cc1 1876466785 HEXVXEVLCRTIRR-LBPRGKRZSA-N 285.369 -0.587 10 10 CBCE COc1c([C@H](NCCN=[N+]=[N-])C(N)=O)cnn1C 1912194367 UFVYEMDHOHLXED-ZETCQYMHSA-N 253.266 -0.145 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CONC1=O 2031694282 LZALSTXSAHZXGP-SSDOTTSWSA-N 252.226 -0.814 10 10 CBCE CNC1(C(N)=O)CN(Cc2c(O)cccc2F)C1 2047098936 MSTIEWGJLHSJHX-UHFFFAOYSA-N 253.277 -0.210 10 10 CBCE C[C@@H](NS(=O)(=O)N1CC(N)C1)c1ccccc1O 2072489079 DUMAMLDRTRZBCX-MRVPVSSYSA-N 271.342 -0.070 10 10 CBCE OC[C@@H]1C[C@H](NCc2cc(F)ccc2O)[C@H](O)[C@@H]1O 2121476950 YJJMYYZMGCKWGM-ZDAZMGEQSA-N 271.288 -0.277 10 10 CBCE C[C@@H](O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2125478275 JWBCEVVKCOHCFJ-SVRRBLITSA-N 269.253 -0.410 10 10 CBCE CN(C)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@H]1O 2146150471 HCKZFLSLWOLUGF-JHJVBQTASA-N 276.340 -0.250 10 10 CBCE COC[C@@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCNC1 2188913475 SDHPNKLWRFIIKX-CYBMUJFWSA-N 282.296 -0.088 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CN)cc1F 2225700143 IOZMGUNJIGSEAL-AGIUHOORSA-N 270.304 -0.159 10 10 CBCE CS(=O)(=O)NCCNC(=O)Nc1ccc(N)cc1 36733358 IIBBBTJGCNTMAO-UHFFFAOYSA-N 272.330 -0.061 10 10 CBCE O=C(Nc1cc(O)c(O)c(O)c1)N(CCO)CCO 217278690 HZLQJMCLKBJYFP-UHFFFAOYSA-N 272.257 -0.378 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)C(CO)CO 311868470 LGQTUMUHBFVQJP-SECBINFHSA-N 267.329 -0.119 10 10 CBCE NC(=O)C1(O)CCN(C(=O)c2ccc(O)c(O)c2)CC1 380141433 VKLLRSGXJDODOW-UHFFFAOYSA-N 280.280 -0.450 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCCc2nn[nH]n2)cc1 392570629 BQKUZPSTTZAIJY-UHFFFAOYSA-N 296.356 -0.166 10 10 CBCE CN(CCc1nn[nH]n1)C(=O)c1cc(O)nc(O)c1 707525835 UAUPWJJMFIGFLZ-UHFFFAOYSA-N 264.245 -0.679 10 10 CBCE Nc1ccc(NC(=O)C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)cc1 861544583 NYGFONZGZQUFEG-LDYMZIIASA-N 289.291 -0.161 10 10 CBCE COCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(N)=O 1566837526 OLFOKELGUXHZCV-SECBINFHSA-N 282.296 -0.353 10 10 CBCE C[C@@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857878765 LLLRAXVQQLNELG-ZCFIWIBFSA-N 276.256 -0.553 10 10 CBCE Nc1ccc(NS(=O)(=O)C2CS(=O)(=O)C2)cc1 1917970074 ORWMUBXQIMHRTL-UHFFFAOYSA-N 276.339 -0.193 10 10 CBCE CO[C@@H]1CCNC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2063976328 YBMGEXWVXQSRRW-DNRKLUKYSA-N 254.330 -0.124 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2117486137 GETLMVKVTWOHLX-XVKPBYJWSA-N 266.253 -0.530 10 10 CBCE CN1CCc2cc(CN[C@@H]3C[C@H](O)[C@@H](O)[C@@H]3O)ccc21 2165103469 BJRBAAQPSNBFIK-FAAHXZRKSA-N 278.352 -0.377 10 10 CBCE Nc1ccc(CCN2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)cc1 2166792878 IVGXGYLDJFFVIA-RYUDHWBXSA-N 274.324 -0.890 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H]1CCNC1=O 2185177316 XRNQBVIFFWZJFP-LLVKDONJSA-N 276.340 -0.308 10 10 CBCE O=C(NCC1(C(=O)O)COC1)c1cc(O)c(O)c(O)c1 2188868873 YFWWAYDTKCGNGA-UHFFFAOYSA-N 283.236 -0.366 10 10 CBCE CS(=O)(=O)[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(N)cc1 2192660754 VYROXRYJLVRRHS-GHMZBOCLSA-N 298.368 -0.225 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2c(O)cccc2F)C[C@@H]1O 2197468006 ZHNHPYFRZNBGRH-AAEUAGOBSA-N 285.271 -0.086 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1NC[C@H](O)[C@@H]1O 2201150000 QPPACLSGPNKXFU-NZBQSGDWSA-N 280.324 -0.395 10 10 CBCE CN(CC1(O)CNC1)C(=O)Cc1ccc(O)c(O)c1 2271710285 HUGMXDOTXILUIJ-UHFFFAOYSA-N 266.297 -0.567 10 10 CBCE O=C1C[C@@H](N2CCc3cc(O)c(O)cc3C2)C(=O)N1 2341216567 MZGBSWMCEVKJFW-SECBINFHSA-N 262.265 -0.129 10 10 CBCE Nc1ccc(OCC(=O)N(CCO)CCO)cc1 40332321 CISIHKTXMMEITQ-UHFFFAOYSA-N 254.286 -0.539 10 10 CBCE COc1cccc([C@H](N)C(=O)NCCCO)c1O 83398277 BEXZRULEPWTCIR-JTQLQIEISA-N 254.286 -0.101 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@](O)(CO)C3)ccc21 314061370 XDWWWPVGZRXIBH-GXTWGEPZSA-N 277.324 -0.038 10 10 CBCE O=C(NCCN1C(=O)CCC1=O)c1ccc(O)c(O)c1 405998675 UXOGTAREFCVWHV-UHFFFAOYSA-N 278.264 -0.023 10 10 CBCE Nc1cc2c(cc1N1CCC1(CO)CO)OCCO2 1879987221 QWSMWYZRIOCJGU-UHFFFAOYSA-N 266.297 -0.027 10 10 CBCE N[C@H]1COC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132417366 CTDBQKGJCMGNJF-YUMQZZPRSA-N 268.269 -0.493 10 10 CBCE Cn1c(=O)n(C)n(CCCOc2ccc(N)cc2)c1=O 2155862961 BFYRBBGUHSQYBU-UHFFFAOYSA-N 278.312 -0.063 10 10 CBCE NC(=O)CONC(=O)c1ccn(-c2ccc(N)cc2)n1 2191664965 BITFAQLHKGKFNW-UHFFFAOYSA-N 275.268 -0.399 10 10 CBCE Cc1cc(N2CC[C@@](O)(CO)[C@H](O)C2)ccc1CO 2225723590 BMLBYWKQEHKXOF-ZIAGYGMSSA-N 267.325 -0.218 10 10 CBCE N[C@H](CS(=O)(=O)Nc1ccc(O)c(F)c1)C(=O)O 2258136201 WVKRUTPEUFERIE-SSDOTTSWSA-N 278.261 -0.315 10 10 CBCE NCCCN(CCO)c1cc2c(cc1N)OCC(=O)N2 2281147562 QUEHLHUSLGZLKA-UHFFFAOYSA-N 280.328 -0.253 10 10 CBCE C[C@H]1Cc2cc(N3C[C@@H](O)[C@@H](O)[C@H]3CO)ccc2O1 2333686945 HIXVBKOQBQJWJO-MBGOOHRESA-N 265.309 -0.087 10 10 CBCE CN(Cc1ccc(N)cc1)c1nn(C)c(=O)n(C)c1=O 37672715 QHJINFRDJQKMIX-UHFFFAOYSA-N 275.312 -0.302 10 10 CBCE NCCCNC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 51355255 YSWBUZDLXQRFNC-VIFPVBQESA-N 297.311 -0.259 10 10 CBCE O=C(NCC(=O)N1CCOCC1)c1ccc(O)c(O)c1 394366332 WJTSNQCAMSBDLR-UHFFFAOYSA-N 280.280 -0.314 10 10 CBCE O=C(N[C@]1(C(=O)O)CCNC1)c1cccc(O)c1O 692862213 GDSUSPUHSASVBX-GFCCVEGCSA-N 266.253 -0.356 10 10 CBCE NC(=O)CN(CCn1cnnn1)Cc1ccc(N)cc1 712551536 JWEYNVPGNHCMSJ-UHFFFAOYSA-N 275.316 -0.757 10 10 CBCE NC(=O)N1CCN(C(=O)c2cccc(O)c2O)CC1 722173322 XXFFARQOJCLXKR-UHFFFAOYSA-N 265.269 -0.066 10 10 CBCE NC(=O)CC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723173862 RDQPHSHQNOBOOI-LBPRGKRZSA-N 260.297 -0.050 10 10 CBCE CNC(=O)CC(=O)OCC(=O)c1ccc(O)c(O)c1 784797644 HUEQJPZFKNLVMT-UHFFFAOYSA-N 267.237 -0.040 10 10 CBCE O=C(N[C@@H]1COC[C@H]1O)c1c(F)ccc(O)c1O 1306844003 YWGSZPFBKAGPLX-HTRCEHHLSA-N 257.217 -0.274 10 10 CBCE CNC[C@H](O)CN(C)C(=O)COc1ccc(N)cc1 1876486539 JUSNJKAJBCTIAE-NSHDSACASA-N 267.329 -0.314 10 10 CBCE Oc1cccc(F)c1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2046510716 GXDZHTNUUDDTHW-NUGNTBJXSA-N 257.261 -0.524 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC(O)(CO)C1 2051901158 AAYRJVQEZXNEPU-UHFFFAOYSA-N 253.254 -0.794 10 10 CBCE Nc1ccc(CCN2CCOC[C@H]2[C@@H](O)CO)cc1 2090136477 PZPYLSZJFQWMIS-KBPBESRZSA-N 266.341 -0.135 10 10 CBCE O=c1c2c(ccn1C[C@H]1CCS(=O)(=O)C1)CCNC2 2094407724 TWTSNNGIWISDBE-SNVBAGLBSA-N 282.365 -0.071 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]1[C@@H](O)CO 2123157975 OLHBSHVNMZNHCM-IUCAKERBSA-N 268.269 -0.549 10 10 CBCE NC[C@@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132410697 PCJKBFDHWAQUPN-SFYZADRCSA-N 268.269 -0.493 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CNCCOC1 2148022205 TYAPMVLAKJREGX-LLVKDONJSA-N 280.324 -0.008 10 10 CBCE Nc1ccc(CCC(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)cc1 2165122853 OLFZHPYVXGVZTG-UVLXDEKHSA-N 280.324 -0.827 10 10 CBCE Oc1c(F)cccc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309041699 NZSDZOJQJWTNMP-SPFNVWMYSA-N 257.261 -0.524 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC[C@H](O)CCO)cc1 2351739031 DONBPTZZKXWNEE-LBPRGKRZSA-N 288.369 -0.178 10 10 CBCE O=C1N[C@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@H]2O1 2355586457 IDUOASIBHHUAJG-AXFHLTTASA-N 275.264 -0.031 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC(=O)NC(=O)C3)ccc21 116679985 GIQJIQOEQGUCBL-GFCCVEGCSA-N 274.280 -0.638 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)c1c[nH]nn1 157399360 OBPSHTRDNRGHEL-UHFFFAOYSA-N 274.284 -0.485 10 10 CBCE NC(=O)[C@H]1COCCN1S(=O)(=O)Cc1ccc(N)cc1 158767611 OYEMTPXOVZFPDO-LLVKDONJSA-N 299.352 -0.715 10 10 CBCE CNS(=O)(=O)CCNC(=O)CCc1ccc(N)cc1 230977824 CDCLYKBRVMDCCS-UHFFFAOYSA-N 285.369 -0.133 10 10 CBCE C[C@@H](O)[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O 1654633842 INTWRDVREZMOCC-IYSWYEEDSA-N 259.233 -0.292 10 10 CBCE CO[C@H]1CNC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876405722 HIJRRMFRHLHQHD-NEPJUHHUSA-N 285.369 -0.325 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 1912166820 CDCZAQCKOFWGQX-VIFPVBQESA-N 289.361 -0.126 10 10 CBCE OCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(F)c1 2127263043 FPCKCKCFXUMELT-VXGBXAGGSA-N 269.272 -0.371 10 10 CBCE COCC1(NC(=O)c2cc(O)c(O)c(O)c2)COC1 2132730172 FVKLMAXPEKUTMD-UHFFFAOYSA-N 269.253 -0.051 10 10 CBCE NC(=O)C1[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]12 2136572858 JJLGWFSNZIXUCD-YUMQZZPRSA-N 262.265 -0.099 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2188874317 GBHBDVKXJINBII-LRMGWDNHSA-N 281.264 -0.631 10 10 CBCE CC1(C)[C@@H](O)C[C@@]1(CO)NC(=O)c1cc(O)nc(O)c1 2193982566 DPXABGDXHXYOSX-SDBXPKJASA-N 282.296 -0.256 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(C=O)c1 2235988497 UTSYKRXHYWEVCW-ZIAGYGMSSA-N 281.308 -0.198 10 10 CBCE CCNCc1ccc(N(CC(N)=O)CC(N)=O)c(F)c1 61808314 AGSPBGXJFLUVFQ-UHFFFAOYSA-N 282.319 -0.288 10 10 CBCE C[C@@H](O)CNC(=O)[C@H](N)c1ccc(O)c(O)c1O 83414139 HHEXHZPJSJZMMG-SVGQVSJJSA-N 256.258 -0.700 10 10 CBCE COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccc(O)c1O 126734649 OFNSQKNBBPRORB-CBAPKCEASA-N 281.264 -0.154 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCc2ccc(F)cc2)C1=O 169995682 KJXLANQACGJBQB-JTQLQIEISA-N 279.271 -0.049 10 10 CBCE COc1cc(N)c(N2C[C@H](O)[C@H](O)C2)cc1OC 234913676 ITMDJAOCTVAFNQ-AOOOYVTPSA-N 254.286 -0.172 10 10 CBCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CC(=O)N1 395741410 YEUNNIWIPZHLPG-AMIZOPFISA-N 274.324 -0.013 10 10 CBCE CNCCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329566633 SLCJQTUGFWPLOQ-UHFFFAOYSA-N 277.324 -0.088 10 10 CBCE C[C@H](O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876110 RXHHQWUJPPJRFN-RNHFCUEFSA-N 271.225 -0.633 10 10 CBCE N=c1[nH][nH]cc1S(=O)(=O)NCc1ccc(N)cc1 2071667875 QFJUPPGSCVHLMF-UHFFFAOYSA-N 267.314 -0.117 10 10 CBCE O=C(CC1(O)CNC1)NCCc1ccc(O)c(O)c1 2110674347 XRECHSXEQKMGGD-UHFFFAOYSA-N 266.297 -0.519 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)C[C@H]1O 2116186948 DVIFUOQORPQMSG-BCMRRPTOSA-N 266.297 -0.074 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1Cc1ccc(O)cc1O 2136097498 XBYWNGSHIUKGML-OUAUKWLOSA-N 269.253 -0.912 10 10 CBCE COc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1 2165122095 LMMKWXYIFZGLCV-LTWGMKCWSA-N 283.324 -0.094 10 10 CBCE Nc1ccc(NC(=O)N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2234106602 QFEYRIXWKWTIBZ-AAEUAGOBSA-N 281.312 -0.409 10 10 CBCE CSc1ncc(CNS(=O)(=O)N2CC(O)C2)s1 2248613719 PECSXJYOXYXKOE-UHFFFAOYSA-N 295.411 -0.124 10 10 CBCE Cc1ccc(CN2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)c(O)c1 2333191122 YBHZOZOPBILKMQ-IJLUTSLNSA-N 267.281 -0.309 10 10 CBCE CN(CC(=O)N1CCNCC1)Cc1ccc(O)c(O)c1 38031040 WYEWHHWCGGLGDD-UHFFFAOYSA-N 279.340 -0.039 10 10 CBCE Nc1ccc(OCC(=O)N2CCOC[C@@H]2CO)cc1 167891986 PAOFBAYSZZIJCX-NSHDSACASA-N 266.297 -0.133 10 10 CBCE O=C(O)CN(CC(=O)O)C(=O)c1ccc(O)c(O)c1 236432854 KLOPHHADIGUWLQ-UHFFFAOYSA-N 269.209 -0.291 10 10 CBCE CC(CO)(CO)CNC(=O)COc1ccc(N)cc1 393896740 OOGRJXKBYNQTBW-UHFFFAOYSA-N 268.313 -0.245 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCNC2=O)cc1 693871764 YPNFOEPMWVKOMZ-NSHDSACASA-N 299.352 -0.545 10 10 CBCE CN(C)c1ccc(CNC(=O)CNC2(C(N)=O)CC2)cc1 1307645777 SEBJFVJTAIDION-UHFFFAOYSA-N 290.367 -0.024 10 10 CBCE NC(=O)N1CC(NC(=O)COc2ccc(N)cc2)C1 1917786291 FBSNYKUKPRXSDQ-UHFFFAOYSA-N 264.285 -0.473 10 10 CBCE NC[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1971226694 UIZHLCKPMWMXAW-JTQLQIEISA-N 266.297 -0.174 10 10 CBCE Nc1ccc(CNS(=O)(=O)c2nc[nH]n2)cc1 2009234090 GGVWSDCHZHMPFB-UHFFFAOYSA-N 253.287 -0.135 10 10 CBCE NOCCCNS(=O)(=O)Cc1ccc(N)cc1 2016965574 ADNCLFBUPDXMPY-UHFFFAOYSA-N 259.331 -0.031 10 10 CBCE CNC[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 2027482572 PIGQCUGUAUZWDB-VIFPVBQESA-N 254.286 -0.663 10 10 CBCE CNC(=O)C[S@](=O)CC(=O)c1ccc(O)c(O)c1 2029188408 MIBGIXRGLVJDKL-GOSISDBHSA-N 271.294 -0.225 10 10 CBCE O=C(NC[C@@H]1CCS(=O)(=O)N1)c1ccc(O)c(O)c1 2089998547 LEDRHOGIZNAKME-QMMMGPOBSA-N 286.309 -0.481 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H]1CO 2101297952 IRBGHYGYTRYBIB-GUBZILKMSA-N 266.297 -0.535 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2CNC[C@H]12)c1ccc(O)c(O)c1 2121654021 OWJPGKVIDSUKQM-KBVBSXBZSA-N 264.281 -0.186 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)c(O)c1 2177946414 YQOVXHRNGHKEGG-QIRAZROLSA-N 283.324 -0.407 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2COC[C@@H]21 2186369276 CYRKZARHGGFPSV-VWYCJHECSA-N 278.308 -0.175 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@@H]2COC[C@@H]21 2189100925 KIAMTUKSOZHCAP-MNOVXSKESA-N 278.308 -0.161 10 10 CBCE C[C@H]1O[C@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@]1(N)C2 2312781577 MMCIXJUGNLNJFQ-QIXLZMONSA-N 252.314 -0.099 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CC[C@@H](O)[C@@H](O)C3)cc21 2356917669 AISIGCUNWQVWLZ-AGIUHOORSA-N 278.308 -0.372 10 10 CBCE C[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486846 ITJWIBNTLYIIJY-SVRRBLITSA-N 268.269 -0.443 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCNC1 62115792 IETJHCRAMKWAQR-ZJUUUORDSA-N 294.307 -0.181 10 10 CBCE CN(C)CCNC(=O)[C@@H](N)c1cc(O)ccc1O 83395686 AMLYVMDPZBXUDI-NSHDSACASA-N 253.302 -0.225 10 10 CBCE O=C(NC[C@@]1(O)CCNC1)c1cccc(O)c1O 97910079 IYHDYZYWMOQFJX-GFCCVEGCSA-N 252.270 -0.448 10 10 CBCE COC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 159396757 LQXIXLKTWMPYQV-IUCAKERBSA-N 298.295 -0.817 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1CNC(=O)CN1 230880576 JBPFADZOERRPJZ-MWLCHTKSSA-N 277.324 0.000 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)Nc2ccc(N)cc2)C1 389082729 BIZHMMVLKIZKOI-GFCCVEGCSA-N 264.285 -0.277 10 10 CBCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCS(=O)(=O)N1 1153884730 GWLTUBYRECSLFK-VIFPVBQESA-N 286.309 -0.594 10 10 CBCE C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1611578808 VRTYPLYDPXCGOF-MRVPVSSYSA-N 264.281 -0.013 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)N2CC[C@@H](O)C2)C1 1912172001 QOBVTPDFHJKUNE-JGVFFNPUSA-N 261.307 -0.318 10 10 CBCE O=S1(=O)C[C@@H](c2ccc(O)c(O)c2)NCCN1 1952452074 FSLHXHQLWGZNIJ-QMMMGPOBSA-N 258.299 -0.339 10 10 CBCE N[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2COC[C@H]12 1973673010 OHVLFRNVDJBMLU-MXWKQRLJSA-N 278.308 -0.175 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C(CO)[C@H]2C1 2030267734 DIHYEVNMNFYVRC-YUMQZZPRSA-N 250.254 -0.197 10 10 CBCE Cn1nccc1[C@@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049786550 NDJIEGYJSJBOGF-SOCHQFKDSA-N 250.302 -0.315 10 10 CBCE O=[N+]([O-])c1ccc(N2CC(O)(CO)C2)cc1CO 2051897766 RUMIXWLJSZUMTE-UHFFFAOYSA-N 254.242 -0.370 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2[C@H](CO)[C@@H]2C1 2061534194 DIHYEVNMNFYVRC-AYMMMOKOSA-N 250.254 -0.197 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@H]3C(N)=O)cc21 2089365560 LPFMVEPEGPOKOT-ONGXEEELSA-N 260.297 -0.273 10 10 CBCE O=C(N[C@@H]1CO[C@H]2CNC[C@@H]12)c1cc(O)nc(O)c1 2121650257 PVHRICKHQDZGKV-YIZRAAEISA-N 265.269 -0.791 10 10 CBCE Cc1cc(CO)ccc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2127263838 JULOVALVTABTDX-STQMWFEESA-N 265.309 -0.202 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@]2(CO)C[C@@]2(CO)C1 2146313304 IYQIFTDHGQWLHT-KBPBESRZSA-N 279.292 -0.085 10 10 CBCE COc1cc(C(=O)NC2CC(O)(CO)C2)cc(OC)n1 2284565093 GSRNUKZWNFOUAM-UHFFFAOYSA-N 282.296 -0.286 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CC(=O)N2CCCC[C@@H]21 305988222 NSKHTCCFVOJMJX-LDYMZIIASA-N 266.305 -0.105 10 10 CBCE CN(C(=O)CN1CCNS1(=O)=O)c1ccc(N)cc1 308373703 NDZXWJWEBCJYEJ-UHFFFAOYSA-N 284.341 -0.618 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCn2ncnn2)cc1 380127484 CUZSYKWOHHLGAF-UHFFFAOYSA-N 282.329 -0.625 10 10 CBCE N[C@@]1(CNC(=O)c2ccc(O)c(O)c2)CCOC1 688481750 IWWZGAJCHJLJPS-GFCCVEGCSA-N 252.270 -0.055 10 10 CBCE NC(=O)[C@H]1CN(c2ccc(CO)cc2)C[C@@H]1C(N)=O 693460044 DPSCZEPNNCHMNU-QWRGUYRKSA-N 263.297 -0.798 10 10 CBCE CN(C)C[C@@H](CO)NC(=O)COc1ccc(N)cc1 716717990 ACUDGCVVEYWQKF-NSHDSACASA-N 267.329 -0.314 10 10 CBCE CC(=O)C(=O)COC(=O)CNC(=O)c1ccc(O)cc1 808513962 QXQZFZBMYCYHAB-UHFFFAOYSA-N 279.248 -0.177 10 10 CBCE CO[C@@H]1CNC[C@@H]1NC(=O)c1cc(O)nc(O)c1 1084386492 LDGYYGXNKRHYAQ-JGVFFNPUSA-N 253.258 -0.791 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](CO)C1 1644011831 LHDWBDBHXVIQDX-PHIMTYICSA-N 281.308 -0.301 10 10 CBCE CO[C@@H]1[C@H](O)[C@@H](CN=[N+]=[N-])O[C@H]1n1cc(C)c(O)nc1=O 2037814219 IILNRKXSQPBELC-FDDDBJFASA-N 297.271 -0.159 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2136288308 UXYGLOCUHWZVEZ-VFFVRTRHSA-N 271.288 -0.218 10 10 CBCE N[C@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2157501586 DXZUNYPBXXBGIP-CIUDSAMLSA-N 280.280 -0.443 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@@H]2O 2182528204 IUULBZZPCARUMO-OTMMVIPVSA-N 279.292 -0.089 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1(C(=O)O)COC1 2188873997 BYTKTAMYZYOJBR-UHFFFAOYSA-N 283.236 -0.271 10 10 CBCE O=C(NCC[C@H]1CNCCO1)c1cc(O)c(O)c(O)c1 2188925769 XQONMEXTWMIZEM-VIFPVBQESA-N 282.296 -0.088 10 10 CBCE Cn1[nH]c(CN)nc1=NC(=O)COc1ccc(N)cc1 2191895567 LFCPJOZXYFOFOV-UHFFFAOYSA-N 276.300 -0.705 10 10 CBCE CN[C@@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CO)ccc21 2201040622 ZTENOCUDDWKDPZ-CBBWQLFWSA-N 278.352 -0.204 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CO 2232104426 KOYXPXRIKMZZDH-HYNSBDGHSA-N 267.325 -0.049 10 10 CBCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)N1C(=O)COCC1=O 41071469 RFXYVNIORXOIST-MRVPVSSYSA-N 295.247 -0.521 10 10 CBCE CNC(=O)[C@@H]1CNCCN1Cc1ccc(O)cc1O 89082406 VONCNNFZIKNJIK-NSHDSACASA-N 265.313 -0.382 10 10 CBCE NCC[C@@H]1C(=O)NN(c2ccc([N+](=O)[O-])cc2)C1=O 106665706 HZXJXCWQKGGTJJ-SECBINFHSA-N 264.241 -0.062 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1CO 687590547 DQODWKZEQYFMMM-SNVBAGLBSA-N 266.297 -0.154 10 10 CBCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](CO)NC(N)=O)c1 1630365875 HAGWYNYDADIJDL-GMSGAONNSA-N 297.311 -0.393 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1S(=O)(=O)N1CC(O)C1 1912147335 XHAQBXFPTDXILG-ZETCQYMHSA-N 261.307 -0.318 10 10 CBCE [N-]=[N+]=NC1CN(CC(=O)NC(=O)CN2CCCC2=O)C1 1912152841 YBCFSSODRJOGCC-UHFFFAOYSA-N 280.288 -0.754 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912203824 SLYQVTFZQBWKPE-SSDOTTSWSA-N 282.347 -0.255 10 10 CBCE Nc1ccc(CCC(=O)NCC(O)(CO)CO)cc1 1913783812 JYPFVAXYFLAMHE-UHFFFAOYSA-N 268.313 -0.967 10 10 CBCE Cn1ncc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1CN 2049787442 YHRQGUGQNXIXMM-ZKCHVHJHSA-N 250.302 -0.242 10 10 CBCE N=c1[nH]c(=NCCc2ccc(O)c(O)c2)[nH]cc1N 2101468000 BOKHQGAFKNGSBZ-UHFFFAOYSA-N 261.285 -0.041 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNCC[C@H]1O 2126890062 UAAGDERQWGWPHX-NXEZZACHSA-N 266.297 -0.521 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1C(=O)Cc1ccc(O)c(O)c1 2144018144 GOTORCZAPMVJMZ-SSDOTTSWSA-N 278.264 -0.486 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)cc1 2177954691 JWBNQIWYNZVKEQ-QIRAZROLSA-N 280.324 -0.970 10 10 CBCE CC[C@@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2184133920 YNOITDPOBZFIDN-VXGBXAGGSA-N 277.324 -0.080 10 10 CBCE NC(=O)N1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188876095 XQSMOUWENRODAC-SSDOTTSWSA-N 281.268 -0.314 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](CO)[C@H](N)C2)cc1 2191721244 VMDAFZMFDXDSIR-GXFFZTMASA-N 279.340 -0.184 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2271142824 CPAIGMOEDIIXEG-PUMQYWBSSA-N 269.253 -0.319 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](O)[C@H](O)CC2)cc1 2284536669 KFDPEVHMMJVOQA-BETUJISGSA-N 280.324 -0.008 10 10 CBCE CCOC(=O)CNC(=O)[C@H](N)c1ccc(O)c(O)c1 83496885 VXASPTXHISFPMH-LLVKDONJSA-N 268.269 -0.223 10 10 CBCE CC(=O)N[C@H](CS(N)(=O)=O)c1ccccc1O 204816505 GDGGPARMIIEJAN-SECBINFHSA-N 258.299 -0.142 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCOC[C@H](O)C3)cc21 399846669 FLYZDYJKVKDSDP-MFKMUULPSA-N 277.324 -0.140 10 10 CBCE CN1CCN(Cc2cc(C(N)=O)c(O)cc2O)CC1 642880094 IZQFLLWFPHNBCN-UHFFFAOYSA-N 265.313 -0.056 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)[C@H](CO)C1 704472947 MRBGQABOELCCMR-IUCAKERBSA-N 268.269 -0.834 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CNC(=O)C1 1161855828 QOADVEYSWMCBPV-VIFPVBQESA-N 264.281 -0.107 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNC[C@@H]2CO)cc1 1876533048 KFKDQLIFFWFDCX-GFCCVEGCSA-N 285.369 -0.635 10 10 CBCE Oc1c(Cl)cccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046515162 UHENMCKMQFWMPJ-QCZKYFFMSA-N 273.716 -0.010 10 10 CBCE NC(=O)CN(CC(=O)O)Cc1cc(F)ccc1O 2081014288 DPVKKOJNSBXHJY-UHFFFAOYSA-N 256.233 -0.097 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC(O)(C(=O)O)C1 2132349153 ZKYJCUGXWORDHV-UHFFFAOYSA-N 269.209 -0.925 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1NC[C@H](O)[C@@H]1O 2136448558 YJMCLVHCBLQGCD-TUAOUCFPSA-N 266.297 -0.956 10 10 CBCE CN(C)c1ccc(CNC(=O)N[C@H](CO)C(=O)O)cc1 2160470409 RQXGUOKXTIDKOV-LLVKDONJSA-N 281.312 -0.003 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166791129 OWQYLRRVOHURNW-XXILOJSOSA-N 275.308 -0.457 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NC(=O)COc1ccc(N)cc1 2174099582 CSELPIADBHFAEH-JQWIXIFHSA-N 279.296 -0.593 10 10 CBCE COc1cc(N2CCC[C@@](O)(C(N)=O)C2)ccc1CN 2204548393 OKNRHRDOELDUKD-AWEZNQCLSA-N 279.340 -0.030 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1[C@@H](C)O 2269692799 VWXBXZGEZXECBI-WBMYTEFPSA-N 267.325 -0.049 10 10 CBCE Nc1cc2c(cc1N1CC(O)(CCO)C1)OCCO2 2270659930 QCKCOYOAFOSHFG-UHFFFAOYSA-N 266.297 -0.027 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@H](O)CC3)ccc21 2284540286 AHMBQPFIRSUOCJ-FRRDWIJNSA-N 277.324 -0.040 10 10 CBCE O=C(N[C@H](CCO)C(=O)O)c1cc(O)nc(O)c1 40697022 VABPXEOMEJGRBM-ZCFIWIBFSA-N 256.214 -0.942 10 10 CBCE O=C(O)[C@@H](CO)NCc1ccc(N2CCNCC2)cc1 84846395 FIFKQSIRADDUQR-CYBMUJFWSA-N 279.340 -0.369 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC(=O)NC(=O)C3)ccc21 97268946 ZUPDINXOCARHCT-NSHDSACASA-N 260.253 -0.899 10 10 CBCE CNC(=O)CS(=O)(=O)CC(=O)N(C)c1ccc(N)cc1 383583159 INNHFVKTNLCIEX-UHFFFAOYSA-N 299.352 -0.608 10 10 CBCE Cc1cc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1CO 693460668 GINOSJNKXMVFNH-RYUDHWBXSA-N 277.324 -0.490 10 10 CBCE C[C@H](NC(C(N)=O)C(N)=O)c1cc(O)ccc1O 695338670 BNGUPGGIOZHFNL-YFKPBYRVSA-N 253.258 -0.912 10 10 CBCE Cn1ncnc1C1(O)CN(C(=O)c2cc(O)cs2)C1 881952423 MHYSWNVMNRBFCL-UHFFFAOYSA-N 280.309 -0.074 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCC3(CO)CO)ccc21 1879985902 CFFLYQAYLWLEQK-LLVKDONJSA-N 263.297 -0.428 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1N 2090581382 XSSJXHHPXDTPSJ-DTWKUNHWSA-N 267.285 -0.319 10 10 CBCE CN(CC(=O)O)S(=O)(=O)NCCc1ccc(N)cc1 2106169956 GSAZSNKIZNUIKN-UHFFFAOYSA-N 287.341 -0.338 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(O)(CO)C1 2115308711 IKWBWQMIDPYOPQ-VIFPVBQESA-N 265.313 -0.365 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2NCCO[C@H]2C1 2153998809 WRJIMOGORDCWDB-GWCFXTLKSA-N 278.308 -0.161 10 10 CBCE OCc1cc(F)c(N2CC3(C2)OC[C@H](O)[C@H]3O)c(F)c1 2183643192 RZRZTQXGHRAUDC-CMPLNLGQSA-N 287.262 -0.232 10 10 CBCE Nc1ccc(O)c(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2197927690 APONYMGFOHRRPH-SNVBAGLBSA-N 299.352 -0.039 10 10 CBCE O=C1COC2(CN1)CN(C(=O)c1cccc(O)c1O)C2 2208838247 OTAAFDQKAWDPMP-UHFFFAOYSA-N 278.264 -0.561 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)OCCCO2 2235131668 NBSBGYDFZMALER-GYSYKLTISA-N 281.308 -0.249 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1C 2289408854 VWXJJZRCAWBORY-SNPRPXQTSA-N 280.368 -0.135 10 10 CBCE C[C@H](c1cc(F)ccc1O)N(CC(N)=O)CC(N)=O 134021096 JGNOBDLXXBZLFI-SSDOTTSWSA-N 269.276 -0.135 10 10 CBCE Nc1ccc(NC(=O)CCN2C[C@@H](O)[C@H](O)C2)cc1 236350608 AMTYKAQXDVWFJM-VXGBXAGGSA-N 265.313 -0.365 10 10 CBCE Nc1cc2c(cc1N1CC[C@](O)(CO)C1)NC(=O)CO2 313659938 GKTGBHWPFJMWBK-CYBMUJFWSA-N 279.296 -0.467 10 10 CBCE O=C1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)CCN1 396642443 HKNQUIBATGEKEU-MRVPVSSYSA-N 265.269 -0.109 10 10 CBCE N[C@H]1C[C@@H]2CN(C(=O)c3cccc(O)c3O)CCN2C1 405254791 KCPRRKLUXCTSQN-VHSXEESVSA-N 277.324 -0.045 10 10 CBCE C[C@@H](O)CNC(=O)CCN1C(=O)CSC1=S 1865765077 PAGNYSVRTXEELR-ZCFIWIBFSA-N 262.356 -0.266 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)N1CCC[C@H](C(N)=O)C1 1912152122 PBJYFARTIDKAGC-VIFPVBQESA-N 268.321 -0.048 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@@H](O)C[C@H]1O 2046527899 WWQOUXYRGXWFJE-BDODKLCJSA-N 251.286 -0.336 10 10 CBCE COc1cc(C(=O)N[C@@H]2CNOC2)cc(OC)n1 2048065266 AFJNMSXPJAAZLR-MRVPVSSYSA-N 253.258 -0.268 10 10 CBCE CO[C@H]1CNC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2122548748 GDAMBMAFNSJFOC-SKDRFNHKSA-N 266.297 -0.257 10 10 CBCE NOCCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2157157984 LGHFPWVXQSBNSK-MRVPVSSYSA-N 284.268 -0.510 10 10 CBCE O=C(N[C@@H]1CNC[C@H](F)C1)c1cc(O)nc(O)c1 2219127005 OAACKXLZVBUDCT-SFYZADRCSA-N 255.249 -0.077 10 10 CBCE CCN1C(=O)C(=CNCCN(C)C)C(=O)NC1=S 2296099156 SRZDAHISROCAJD-UHFFFAOYSA-N 270.358 -0.715 10 10 CBCE O=C1Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)c(F)cc2[C@H]1O 2356918348 KCWKKNVRQUFZEP-GRYCIOLGSA-N 282.271 -0.257 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCN(CCO)CC3)cc21 131351181 WELSXFFUIVXANU-CQSZACIVSA-N 290.367 -0.223 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](CO)C3)ccc21 316227654 BOKXWLCPCGXDBK-MKCWBWRRSA-N 263.297 -0.572 10 10 CBCE N[C@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)CCN2C1 405291302 YBYOGRMVYODWEO-WDEREUQCSA-N 277.324 -0.045 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN2C[C@H](O)C[C@@H]2C1 405302307 JDFFDQQZGBCEQB-NXEZZACHSA-N 278.308 -0.011 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1COC[C@@H]1O 708747621 MKCQXFYQAVHBDW-SFYZADRCSA-N 254.242 -0.676 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H](N)CO)cc1 2016970309 YCWCNYSRKJEYHV-SNVBAGLBSA-N 259.331 -0.992 10 10 CBCE CO[C@H]1CNC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2122548746 GDAMBMAFNSJFOC-CABZTGNLSA-N 266.297 -0.257 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)O 2136097984 ZUIWACDMDQOKPA-IGCXTIMSSA-N 267.281 -0.056 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@H](O)C3)c(F)cc2[C@@H]1O 2188679667 KCWKKNVRQUFZEP-TUAOUCFPSA-N 282.271 -0.257 10 10 CBCE NCC1(CO)CCN(C(=O)c2cc(O)nc(O)c2)CC1 2202901541 DFTQGJXMWMJTRE-UHFFFAOYSA-N 281.312 -0.334 10 10 CBCE NCc1cc(F)c(N2CC[C@](O)(C(N)=O)C2)c(F)c1 311643451 RYMAESHAQVKPME-GFCCVEGCSA-N 271.267 -0.150 10 10 CBCE O=C(N[C@@H]1CCCN(CCO)C1)c1cc(O)nc(O)c1 384494090 MURDZUQNGNIXIE-SNVBAGLBSA-N 281.312 -0.321 10 10 CBCE Cc1cc(CN)ccc1N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 693394088 VUKLUHKRMGSXQV-GHMZBOCLSA-N 276.340 -0.523 10 10 CBCE COc1ccc(O)c(CN2C[C@H](O)C[C@H]2C(N)=O)c1 895368972 YOAPUSXTLPRIRT-KOLCDFICSA-N 266.297 -0.179 10 10 CBCE O=C(NCc1c(O)cccc1F)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1635366543 AJHCVBNIQWCAKA-JHJVBQTASA-N 297.282 -0.440 10 10 CBCE Cn1ncc(S(=O)(=O)N2CC[C@@H](N=[N+]=[N-])C2)n1 1912206059 QZQBBGHKQSPAQT-ZCFIWIBFSA-N 257.279 -0.112 10 10 CBCE CN(CC(=O)O)S(=O)(=O)Nc1ccc(N)cc1 1999070938 CPLIWHCJINZIKR-UHFFFAOYSA-N 259.287 -0.058 10 10 CBCE O=C1NC[C@@H](CNC(=O)c2ccc(O)c(O)c2)O1 2066435338 SEKSETKQYBLSKV-SSDOTTSWSA-N 252.226 -0.064 10 10 CBCE NC[C@H](CO)NC(=O)CCOc1ccc(N)cc1 2071858462 MZRWMMGLLSQNHJ-SNVBAGLBSA-N 253.302 -0.527 10 10 CBCE NC(=O)C(F)(F)CNS(=O)(=O)Cc1ccc(N)cc1 2089760801 WRBBTXLEFZUKTJ-UHFFFAOYSA-N 293.295 -0.191 10 10 CBCE CO[C@H](CCN)CNC(=O)c1cc(O)c(O)c(O)c1 2132404054 OWTDBJISNCJIIK-MRVPVSSYSA-N 270.285 -0.103 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@]1(CO)CCCNC1 2144030039 LOVAGFDXEDMRBX-CQSZACIVSA-N 280.324 -0.129 10 10 CBCE N[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1CO 2178907556 QYSKQCVMCXUWNL-WDEREUQCSA-N 280.324 -0.192 10 10 CBCE NC(=O)c1nc(CNCc2ccc(O)cc2O)no1 2270257057 IBIAAZAXJXEKRV-UHFFFAOYSA-N 264.241 -0.131 10 10 CBCE O=C1NC[C@@H]2CCCN(C(=O)c3cc(O)nc(O)c3)[C@@H]12 2279214237 YRTPHSWAFCJHPP-WRWORJQWSA-N 277.280 -0.157 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1cc(C)ccc1O 83391587 OXJPLRUPOKTAKQ-LLVKDONJSA-N 252.270 -0.010 10 10 CBCE COC[C@H](N)C(=O)NCc1ccc(O)c(O)c1O 83414064 JHNYUKFQEOTFHM-ZETCQYMHSA-N 256.258 -0.607 10 10 CBCE O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(O)c(O)c1 86815873 GHWIUQRPRQJWBL-VIFPVBQESA-N 280.280 -0.127 10 10 CBCE NC(=O)[C@H](O)CNC(=O)CCc1ccc(N)cc1 228477645 SUNOAAQDTNPGEP-SNVBAGLBSA-N 251.286 -0.836 10 10 CBCE COc1ccc(O)c([C@H](C)NC[C@H](O)C(N)=O)c1 228628641 SORUAOZQSMXLMH-CPCISQLKSA-N 254.286 -0.102 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 317512188 UXRGMMHNTKNKOA-SKDRFNHKSA-N 266.297 -0.541 10 10 CBCE O=C(N[C@]1(CO)CCOC1)c1ccc(O)c(O)c1 393878594 HSTITDYZWCMLPL-LBPRGKRZSA-N 253.254 -0.021 10 10 CBCE Nc1ccc(OCC(=O)N2CCOC[C@@H](O)C2)cc1 399976686 LLUPNXHIZOTZRE-NSHDSACASA-N 266.297 -0.133 10 10 CBCE CN1CCN[C@H](CNC(=O)Cc2ccc(N)cc2)C1 1967091001 ACDXKMTYESPRBV-CYBMUJFWSA-N 262.357 -0.169 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)C(=O)N(C)C)c2n1 2063967641 IQGHRYHWNWIZPQ-MRVPVSSYSA-N 291.311 -0.050 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CCC3(CNC3)O2)C1 2084590662 LTPBVQZLDJEDAS-QXEWZRGKSA-N 252.314 -0.227 10 10 CBCE N[C@]1(CO)CCCN(C(=O)c2cc(O)nc(O)c2)C1 2087258263 UFPUVMSUBUQJTK-GFCCVEGCSA-N 267.285 -0.581 10 10 CBCE O=C(NC1CN(C2COC2)C1)c1ccc(O)c(O)c1 2114708897 WNAQINKROYTRIQ-UHFFFAOYSA-N 264.281 -0.089 10 10 CBCE O=C(NC[C@H]1CNC[C@H]1O)c1cc(O)c(O)c(O)c1 2132400686 OMADBQYNRWXKQZ-GMSGAONNSA-N 268.269 -0.887 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1Cc1cc(F)ccc1O 2136095688 LPABPERYEDBISA-GARJFASQSA-N 271.244 -0.478 10 10 CBCE COc1ccc([C@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c(O)c1 2165122677 NAPFMYVZDGQECQ-IXKSQABHSA-N 283.324 -0.094 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)C1(O)CCNCC1 2183278675 JHKFIEKTTZDABX-UHFFFAOYSA-N 280.324 -0.129 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](CO)[C@@H](CO)C1 2188867912 IZOIRTKKXFBFHM-RKDXNWHRSA-N 283.280 -0.524 10 10 CBCE C[C@]1(O)CN(c2ccc3c(c2)NC(=O)[C@H]3O)CC[C@H]1O 2201542522 HSNSMRYWAYDCIF-DYEKYZERSA-N 278.308 -0.006 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO 17193964 HETOJIJPBJGZFJ-HSUXUTPPSA-N 292.259 -0.340 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)CCOc1ccc(N)cc1 227202647 WMWYHDKCMWEKDA-NSHDSACASA-N 282.296 -0.312 10 10 CBCE CNS(=O)(=O)CCNC(=O)Nc1ccc(N)cc1 231015500 KAMHWFWXSLNLFY-UHFFFAOYSA-N 272.330 -0.061 10 10 CBCE O=C(O)COCCNC(=O)c1ccc(O)c(O)c1 236420221 XFXRIEDNAMAHTM-UHFFFAOYSA-N 255.226 -0.071 10 10 CBCE C[C@H](c1c(O)cccc1O)N1CCNC[C@H]1C(N)=O 300442050 OOULKGQJYMAHRT-BDAKNGLRSA-N 265.313 -0.082 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 387160309 LLZYIHXZMWPGGW-PHIMTYICSA-N 273.292 -0.458 10 10 CBCE C[C@@H](O)[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 717329603 KJIHOMQOOFPJNM-LDYMZIIASA-N 274.342 -0.570 10 10 CBCE COc1cccc(O)c1CN[C@H]1CC(=O)NC1=O 2042581834 VYEITFXYYIRTIN-QMMMGPOBSA-N 250.254 -0.095 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1N 2089912448 VLAYFOIMLINFIQ-ZJUUUORDSA-N 265.313 -0.189 10 10 CBCE OCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(F)c1 2090129369 SEOQIBRWBMMWGF-OLZOCXBDSA-N 271.288 -0.124 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2132348541 NULNOQAHLOBNQK-JGVFFNPUSA-N 269.253 -0.460 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1F 2136344097 RQBSXUFDILGYOO-HOTUBEGUSA-N 274.267 -0.674 10 10 CBCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@H](CO)C1 2188868903 YTXZTVRCWFJDJC-VIFPVBQESA-N 282.296 -0.448 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)OCCO3)C[C@@H](O)[C@@H]1O 2289510357 GNVAXLXBXFFZJL-DRCTWCGVSA-N 281.308 -0.392 10 10 CBCE N[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]2COC[C@@H]21 2329204343 BLKFFFPEPBQPSL-KXUCPTDWSA-N 264.281 -0.104 10 10 CBCE N[C@H](c1nnc([C@H](O)CO)o1)c1ccccc1O 83384312 VTKSDFGGQIONAL-BDAKNGLRSA-N 251.242 -0.151 10 10 CBCE C[C@@H](CCO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 133266133 GXIWDIHOSYXLIG-WPRPVWTQSA-N 268.313 -0.145 10 10 CBCE Cc1cccc(CN(CC(N)=O)CC(N)=O)c1O 160233217 RSJOWKJQFDIRLV-UHFFFAOYSA-N 251.286 -0.527 10 10 CBCE CN(c1cc2c(cc1N)OCCO2)C(CO)CO 310946838 MQUWOIAJJRVJRM-UHFFFAOYSA-N 254.286 -0.171 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)[C@@H](CO)C1 316229556 UMGYQWSZHDOJLZ-GIPNMCIBSA-N 279.340 -0.119 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](O)[C@@H](CO)C1 396818422 XHRQHIXDVHZNLB-ZJUUUORDSA-N 267.281 -0.087 10 10 CBCE NCC1(NC(=O)CCOc2ccc(N)cc2)COC1 1876524168 VSCOFJRIJHWQJD-UHFFFAOYSA-N 265.313 -0.118 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CNC2)C1 2068623771 JVKJVOYPYDRULB-UHFFFAOYSA-N 250.254 -0.151 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)[C@H]2COC[C@@H]21 2102191950 PBTUZHAZMTZLPZ-QXEWZRGKSA-N 265.265 -0.071 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2104422843 JPEUEGCYIHEGCP-ULCXWNMLSA-N 265.265 -0.336 10 10 CBCE NCC1CCN(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1 2112565791 VYHZYLVYVDYJSH-HAQNSBGRSA-N 267.373 -0.077 10 10 CBCE CC(=O)N[C@H](CCC(N)=O)C(=O)N(C)CCN=[N+]=[N-] 2227845524 WQUMCRGIWQRQDA-MRVPVSSYSA-N 270.293 -0.475 10 10 CBCE NCCc1nc(=NC(=O)c2cc(O)nc(O)c2)s[nH]1 2229903569 QMURPPHIWAAKOF-UHFFFAOYSA-N 281.297 -0.480 10 10 CBCE COc1ncc([C@@H](NCCN=[N+]=[N-])C(N)=O)cn1 2255405875 AGMYJDRUPQBPKF-SSDOTTSWSA-N 251.250 -0.089 10 10 CBCE CSc1ncc(CNC(=O)C(N)(CO)CO)s1 2303919330 HNHSWMUPMPACTQ-UHFFFAOYSA-N 277.371 -0.837 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO 17193960 HETOJIJPBJGZFJ-PBXRRBTRSA-N 292.259 -0.340 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@H]1CO 48865499 JUPDLWDYFLAFKQ-QWRGUYRKSA-N 280.324 -0.049 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(C(=O)O)C1 92696982 WGKGCMIDMYBIHL-VIFPVBQESA-N 280.280 -0.489 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1(CO)CC1 143066359 YQAZBWBMSWCAEJ-VIFPVBQESA-N 266.297 -0.391 10 10 CBCE NS(=O)(=O)CCNC(=O)[C@@H]1CNc2ccccc2N1 229877375 UEWPFVNSMZSNGF-JTQLQIEISA-N 284.341 -0.703 10 10 CBCE Nc1ccc(CS(=O)(=O)NCc2nc(O)n[nH]2)cc1 392337271 DZBQHAVFCJERSB-UHFFFAOYSA-N 283.313 -0.288 10 10 CBCE CN(c1nnnn1C)S(=O)(=O)Cc1ccc(N)cc1 394412312 IJKWGDQKGRRYSP-UHFFFAOYSA-N 282.329 -0.242 10 10 CBCE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(O)cc1O 697271675 YGDDLMZKVUWPHE-JQWIXIFHSA-N 287.337 -0.001 10 10 CBCE C[C@@H](O)[C@@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 717329597 KJIHOMQOOFPJNM-KCJUWKMLSA-N 274.342 -0.570 10 10 CBCE NC(=O)[C@@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 1137464868 TZQOYDNBASTPPP-BDAKNGLRSA-N 264.281 -0.122 10 10 CBCE NS(=O)(=O)CCCC(=O)NCc1ccc(O)cc1O 1469159496 KMQQGIBFNJEMBS-UHFFFAOYSA-N 288.325 -0.217 10 10 CBCE NC(=O)[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCOC1 1643863402 CMFOPZBUSRZAHA-ZDUSSCGKSA-N 280.280 -0.599 10 10 CBCE COC[C@@](O)(CO)CNC(=O)Cc1ccc(N)cc1 2102392570 PLEGZSPJJDSKPN-ZDUSSCGKSA-N 268.313 -0.703 10 10 CBCE O=C(N[C@H]1CCNC[C@@H]1CO)c1cccc(O)c1O 2116265649 MOIFFAAQMZXYOA-SCZZXKLOSA-N 266.297 -0.202 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NC(=O)c1ccc(O)c(O)c1 2117486134 GETLMVKVTWOHLX-GMSGAONNSA-N 266.253 -0.530 10 10 CBCE COc1cccc(CNCC(CO)(CO)CO)c1O 2123208353 DIKYKTPWOLYABS-UHFFFAOYSA-N 271.313 -0.546 10 10 CBCE COC(=O)[C@]1(N)C[C@H](NC(=O)Cc2ccc(N)cc2)C1 2191673415 CGGRECULLYFZCZ-YEORSEQZSA-N 277.324 -0.040 10 10 CBCE Nc1ccc(OCC(=O)N2CCO[C@H]3CNC[C@@H]32)cc1 2191719889 MZUPFCLQRNXOQK-STQMWFEESA-N 277.324 -0.153 10 10 CBCE Nc1ccc(OCC(=O)N[C@@]2(CO)CCCNC2)cc1 2191896739 FWBDKNZOGCDDRH-AWEZNQCLSA-N 279.340 -0.122 10 10 CBCE CCn1nnc(CNS(=O)(=O)Cc2ccc(N)cc2)n1 2197884334 PFKVUYVFLNRQSP-UHFFFAOYSA-N 296.356 -0.105 10 10 CBCE CSc1ncc(CNCC(CO)(CO)CO)s1 2248654596 XFCUUOPFJNKTPE-UHFFFAOYSA-N 278.399 -0.082 10 10 CBCE OCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1 2289357578 IWRDSGPLRCYRLX-LJUAHTATSA-N 289.278 -0.393 10 10 CBCE N=c1nnc(OC[C@]23CCC[C@H](CNC2)C3)n[nH]1 2312345691 AQKWDKSTZCVNHD-KWQFWETISA-N 250.306 -0.162 10 10 CBCE COc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1CO 2333187859 LBZVALVTGQOLMT-WZRBSPASSA-N 269.297 -0.910 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCCNC(=O)C3)ccc21 115014837 BWAOCSOLEFBBLU-GFCCVEGCSA-N 260.297 -0.035 10 10 CBCE C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cc(O)nc(O)c1 227189378 LSFGJTYSQQTHCF-JVXZTZIISA-N 268.269 -0.238 10 10 CBCE Cn1nnnc1CNC(=O)COc1ccc(N)cc1 389304677 LMJBOZDYKLDALR-UHFFFAOYSA-N 262.273 -0.513 10 10 CBCE CCn1ncn(NC(=O)c2cccc(O)c2O)c1=O 1468547762 QJRFCHXTGDFVEO-UHFFFAOYSA-N 264.241 -0.140 10 10 CBCE Cn1[nH]c(CN)nc1=NC(=O)Nc1ccc(N)cc1 1876150688 VZTFHUNMEHZQNF-UHFFFAOYSA-N 261.289 -0.078 10 10 CBCE CNC(=O)[C@H]1CNCCN1c1ccc(OC)cc1N 1876267766 SLQROECWZFAZPE-GFCCVEGCSA-N 264.329 -0.198 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1[C@@H]1CS(=O)(=O)C[C@@H]1O 2009443549 TVCFFOGZKQBGBL-YIZRAAEISA-N 260.319 -0.081 10 10 CBCE O=C(NC1(CO)CC(O)C1)c1ccc(O)c(O)c1 2073622231 NYOUTERCTIGBHH-UHFFFAOYSA-N 253.254 -0.287 10 10 CBCE CN1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H](O)C1 2090333171 GNBOIBVGFZDGEK-JOYOIKCWSA-N 266.297 -0.569 10 10 CBCE NC(=O)[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 2132349852 HXBYLBNMSAYHBD-ZETCQYMHSA-N 266.253 -0.107 10 10 CBCE CN(C[C@]1(O)CCNC1)C(=O)Cc1ccc(O)c(O)c1 2144024549 MQMOXPROVGOSQE-AWEZNQCLSA-N 280.324 -0.177 10 10 CBCE O=C(NC[C@H]1CNC2(CC2)CO1)c1cc(O)nc(O)c1 2185706627 VJTSYJCOOZVJGG-VIFPVBQESA-N 279.296 -0.256 10 10 CBCE [N-]=[N+]=NCCCNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(=O)O 2225792378 MRPZDCTYAOIMIG-BQBZGAKWSA-N 290.301 -0.452 10 10 CBCE Nc1cc2c(cc1N1CC[C@H]1[C@@H](O)CO)NC(=O)CO2 2286231780 YTUQVKJVUGHWMC-ONGXEEELSA-N 279.296 -0.468 10 10 CBCE N=c1nnc(OC[C@@H]2C[C@H]3CNC[C@H](C3)C2)n[nH]1 2320277935 UYVCLSMJQMLWNN-BRPSZJMVSA-N 250.306 -0.306 10 10 CBCE NC(=O)[C@H]1COCCN1C(=O)c1ccc(O)c(O)c1 227056348 DQCCGZLVLUHQET-MRVPVSSYSA-N 266.253 -0.576 10 10 CBCE C[C@@H](c1c(O)cccc1O)N1CCNC[C@@H]1C(N)=O 235539248 OOULKGQJYMAHRT-DTWKUNHWSA-N 265.313 -0.082 10 10 CBCE N[C@@H]1COCCN(C(=O)c2ccc(O)c(O)c2)C1 399906207 CPCAZMMZLKWYHN-VIFPVBQESA-N 252.270 -0.103 10 10 CBCE O=C1NCC2(CN(C(=O)Cc3ccc(O)c(O)c3)C2)O1 1639527130 APPHWQVQAMKMCZ-UHFFFAOYSA-N 278.264 -0.039 10 10 CBCE O=C(NC1(C(=O)O)CC(O)C1)c1ccc(O)c(O)c1 1879046407 SUZGVOBPSQSAHQ-UHFFFAOYSA-N 267.237 -0.194 10 10 CBCE C[C@@H](O)c1ccc(N2CC(O)(C(N)=O)C2)c(F)c1 1915236281 JZXPMLZOVUGLNJ-SSDOTTSWSA-N 254.261 -0.085 10 10 CBCE O=C1N[C@@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@H]2O1 2120408266 XEQIVTQRLHGFMW-RNFRBKRXSA-N 265.225 -0.574 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 2121365627 WMOUCBLUNJLZHV-ZJUUUORDSA-N 285.325 -0.452 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CNCC[C@H]1CO 2172893277 PAWQHMKBSYLKLB-QWRGUYRKSA-N 280.324 -0.273 10 10 CBCE O=C(NC[C@]1(F)CNCCOC1)c1cc(O)nc(O)c1 2182448011 KOXUVHVUQNSYBC-GFCCVEGCSA-N 285.275 -0.449 10 10 CBCE N[C@@H]1COC[C@H]1CCNC(=O)c1cc(O)c(O)c(O)c1 2188912383 JVDAYNMLQNIQOB-VXNVDRBHSA-N 282.296 -0.103 10 10 CBCE CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC(N=[N+]=[N-])C1 2227845173 VMKACNILJILFAN-MRVPVSSYSA-N 268.277 -0.722 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(N)cc1 2236157152 CZDSTNCPUREOBW-NSHDSACASA-N 278.312 -0.023 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3OC[C@H](CO)O[C@@H]3C2)c1 2279883112 RRDGFPWXBOGOKG-FPMFFAJLSA-N 280.324 -0.065 10 10 CBCE NCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 3604425 DYMYKKHZEWCMFZ-ZETCQYMHSA-N 254.242 -0.832 10 10 CBCE COc1ccc(CNC(=O)CCNC(=O)CO)c(O)c1 1639455679 FAFFTPHTTHBTKR-UHFFFAOYSA-N 282.296 -0.484 10 10 CBCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCNC[C@H]1OC 1912204063 IKKCTWOSRFQYGJ-PSASIEDQSA-N 257.294 -0.194 10 10 CBCE OCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1 2029661410 BBIKIULHISFTAB-CHWSQXEVSA-N 253.298 -0.263 10 10 CBCE NC[C@@H](CO)NC(=O)CCOc1ccc(N)cc1 2071855406 MZRWMMGLLSQNHJ-JTQLQIEISA-N 253.302 -0.527 10 10 CBCE NC(=O)NC1CN(c2cc3c(cc2F)[C@@H](O)C(=O)N3)C1 2163219719 LGTMNFRAHHTKIZ-SNVBAGLBSA-N 280.259 -0.332 10 10 CBCE Nc1ccc(O)c(CN2CCN3C(=O)NC(=O)[C@H]3C2)c1 2171302760 MDILGZPFXUKILG-SNVBAGLBSA-N 276.296 -0.290 10 10 CBCE Nc1ccc(CCC(=O)NC[C@@H]2NC[C@@H](O)[C@@H]2O)cc1 2233980527 YJPJOZXJSGVMSD-OUCADQQQSA-N 279.340 -0.989 10 10 CBCE Cn1c(=O)cc(O)n(CCOc2ccc(N)cc2)c1=O 2280570693 QPIKTJIIVZVBIV-UHFFFAOYSA-N 277.280 -0.086 10 10 CBCE N[C@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@@H](CO)C3)ccc21 2289403897 KOUWZAGQLZSJMX-SDJAHQOYSA-N 278.352 -0.217 10 10 CBCE N[C@H]1C[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CO[C@@H]1C2 2312794750 OWODXJXWHMBFRC-WJDYBODASA-N 252.314 -0.242 10 10 CBCE NCc1cn(CC(=O)NCc2ccccc2O)nn1 228423137 JEOOMLOFAMCDOH-UHFFFAOYSA-N 261.285 -0.241 10 10 CBCE CN(C(=O)CN1CC[C@](O)(CO)C1)c1ccc(N)cc1 313659466 FYGVIBXKKXRJNU-CQSZACIVSA-N 279.340 -0.339 10 10 CBCE CN1C[C@@H](NC(=O)c2cccc(O)c2O)C(=O)N1 393952238 ZNAUYIYJKSUZPV-SSDOTTSWSA-N 251.242 -0.827 10 10 CBCE CC1(C)[C@]2(O)[C@@H](C=S)O[C@@]3(O)C(C)(C)[C@@]3(O)[C@]12O 605700315 LKIIFWKJVUMXPR-JPXBYFMYSA-N 274.338 -0.654 10 10 CBCE Nc1ccc(NC(=O)CN2CCC(CO)(CO)C2)cc1 694722884 KDZLOLCWQNDITN-UHFFFAOYSA-N 279.340 -0.116 10 10 CBCE Nc1ccc(CC(=O)NCC2CS(=O)(=O)C2)cc1 701887347 SAVPOOLVSCKASF-UHFFFAOYSA-N 268.338 -0.028 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)C[C@@H]1CO)OCCO2 704727211 KOLAEYAFOYBSAC-RKDXNWHRSA-N 266.297 -0.028 10 10 CBCE NS(=O)(=O)NCCN[C@H]1CCc2cccc(O)c21 2039800457 BQPMRWVKBMTPPG-VIFPVBQESA-N 271.342 -0.238 10 10 CBCE Cc1cccc(CNS(=O)(=O)N2CC(O)C2)c1O 2084060093 CSJFAIURIGNYTL-UHFFFAOYSA-N 272.326 -0.288 10 10 CBCE CN(CC(CO)CO)c1ccc2c(c1)NC(=O)[C@@H]2N 2094031096 QZOZVBUEVGBQFA-GFCCVEGCSA-N 265.313 -0.325 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC(OCCO)C3)cc21 2152287623 IDVZBDSEMUENCT-CYBMUJFWSA-N 278.308 -0.106 10 10 CBCE Nc1ccc(OCCC(=O)N2CCNC[C@H](O)C2)cc1 2191718578 BFSGXNAUXRUOJO-LBPRGKRZSA-N 279.340 -0.170 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CCO[C@]2(CO)C1 2239892613 QNEQPSJQHPEKQW-RNCFNFMXSA-N 280.280 -0.284 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)C[C@H]2C(=O)O)cc1 40470512 RFDBYMDNDQLLQY-QWRGUYRKSA-N 264.281 -0.142 10 10 CBCE N[C@H](C(=O)NCCOCCO)c1ccccc1O 83398325 JQPAYHUZCYDSKX-NSHDSACASA-N 254.286 -0.483 10 10 CBCE O=C(NC[C@@H]1CNCCO1)c1cccc(O)c1O 126094229 ZZRDHDKPAUXNAM-QMMMGPOBSA-N 252.270 -0.184 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCO[C@@H](CO)C3)cc21 222101372 NRNQUKYERYVKHD-ZWNOBZJWSA-N 277.324 -0.140 10 10 CBCE COc1cc(N)c(N2C[C@H](O)[C@@H](O)C2)cc1OC 234913642 ITMDJAOCTVAFNQ-UWVGGRQHSA-N 254.286 -0.172 10 10 CBCE N#Cc1cc(CN)ccc1N1CCC(O)(C(N)=O)CC1 380024277 UVRNZICTDRASMS-UHFFFAOYSA-N 274.324 -0.166 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](CO)[C@@H](CO)C1 705319753 NTXFKGVMMNYRAX-NXEZZACHSA-N 267.281 -0.229 10 10 CBCE CCNC(=O)CNC(=O)Cc1ccc(O)c(O)c1 1165585522 ITGMVXLMPARNMG-UHFFFAOYSA-N 252.270 -0.107 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)Cn2ccc(O)nc2=O)C1 1912143386 FPVVZXBIARPIIH-UHFFFAOYSA-N 250.218 -0.530 10 10 CBCE CO[C@H]1C[C@H](CN)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188913483 SEMMKBZDTXENDN-BDAKNGLRSA-N 282.296 -0.008 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3CN[C@H](CO)[C@H]3C2)cc1 2235573323 KTXNSOQSPSRCQY-FPMFFAJLSA-N 275.352 -0.150 10 10 CBCE O=C(O)[C@@H](O)CN1CCc2cc(O)c(O)cc2C1 2318664415 YSIQOXOAMMCPAN-NSHDSACASA-N 253.254 -0.099 10 10 CBCE Nc1ccc(CCC(=O)NCCS(N)(=O)=O)cc1 37991151 BFMAXCQMNOJRCM-UHFFFAOYSA-N 271.342 -0.394 10 10 CBCE CN(CCO)S(=O)(=O)CCOc1ccc(N)cc1 70490561 FMAVZSLYWOPUMY-UHFFFAOYSA-N 274.342 -0.099 10 10 CBCE COC[C@@H](O)CCNC(=O)c1cc(O)nc(O)c1 230120961 RQMODNCZYSFJBW-QMMMGPOBSA-N 256.258 -0.380 10 10 CBCE CC(=O)C(=O)COC(=O)c1csc(S(N)(=O)=O)c1 808498798 WGEJQDBVKGSLPO-UHFFFAOYSA-N 291.306 -0.290 10 10 CBCE O=C(CC[C@H]1NC(=O)NC1=O)NCc1ccc(O)cc1O 1557084903 SHIVXJZMJFTZRR-SECBINFHSA-N 293.279 -0.298 10 10 CBCE C[C@H](NCCNS(N)(=O)=O)c1ccc(O)cc1O 2039813047 GVHSOPOAXOCIAW-ZETCQYMHSA-N 275.330 -0.459 10 10 CBCE C[C@](N)(CO)CNC(=O)Cc1ccc(O)c(O)c1 2060803787 IGOBXGAPYSSLFG-GFCCVEGCSA-N 254.286 -0.534 10 10 CBCE N[C@@H]1[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]21 2068620406 HOXMFQLIMRMNSC-LYIWLLOFSA-N 250.254 -0.168 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC2(O)CNC2)cc1 2071665559 JZBJACNUAQFVLU-UHFFFAOYSA-N 271.342 -0.978 10 10 CBCE Cc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c(O)c1 2084066370 ZSNXPFFRXIPQSR-MGAJPHDKSA-N 253.298 -0.355 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](O)C3)ccc2[C@@H]1O 2132171791 HCDAHNWVCGMRBY-SRVKXCTJSA-N 264.281 -0.396 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H](O)C[C@@H](O)C3)cc21 2161355087 RDJBNPQUEUPMEA-GIPNMCIBSA-N 277.324 -0.405 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NCc1cc2c(cc1O)OCO2 2174104607 VDXZVQWDABXRKO-PRHODGIISA-N 280.280 -0.147 10 10 CBCE CNC(=O)[C@@H]1CNCCN1C(=O)Cc1ccc(N)cc1 2191677082 AWDCOFDKDFQHBH-LBPRGKRZSA-N 276.340 -0.642 10 10 CBCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1[C@@H](C)O 2269685329 DIIPMOKHSPNKIT-SECBINFHSA-N 265.313 -0.175 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2311715420 VJIOTECPNMTINN-TUAOUCFPSA-N 272.732 -0.299 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2354374175 PWCMEHJFIFRKOD-FRRDWIJNSA-N 298.364 -0.210 10 10 CBCE COC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 234726406 PDPUENKNCYXOHE-ZETCQYMHSA-N 255.226 -0.073 10 10 CBCE O=C(NC[C@H]1CNC[C@H]1O)c1ccc(O)c(O)c1 702849367 BKHRLBRZYNUKQC-LDYMZIIASA-N 252.270 -0.592 10 10 CBCE Cc1ccc(C(=O)NC[C@H](C)S(N)(=O)=O)c(O)c1O 782038928 DTLCRVUVOIYVPJ-ZETCQYMHSA-N 288.325 -0.187 10 10 CBCE O=C1CC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)N1 1148589966 STIGDAJWRWXMTP-SSDOTTSWSA-N 266.253 -0.188 10 10 CBCE C[C@@](N)(CO)CNC(=O)CCOc1ccc(N)cc1 1876495411 ONDLUDMTMFAMMS-ZDUSSCGKSA-N 267.329 -0.136 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CNCC[C@H]2O)cc1 1876668812 CZKSXKOKMYRBIY-VXGBXAGGSA-N 265.313 -0.513 10 10 CBCE NC(=O)N1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 1917757687 YUYJKRGJXJXKPA-UHFFFAOYSA-N 284.341 -0.549 10 10 CBCE CC1(NC(=O)COc2ccc(N)cc2)CS(=O)(=O)C1 1918382352 NERRDFPZPVLILD-UHFFFAOYSA-N 284.337 -0.049 10 10 CBCE N[C@H](CCNC(=O)c1ccc(O)c(O)c1)C(=O)O 2028194693 DRZDIILMHIVCKW-SSDOTTSWSA-N 254.242 -0.370 10 10 CBCE C[C@](O)(CO)CNC(=O)c1cc(O)c(O)c(O)c1 2068576296 IJDHADBURVIRPG-LLVKDONJSA-N 257.242 -0.724 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC2CNC2)cc1 2071663386 FCOMDVQESBZEHC-UHFFFAOYSA-N 271.342 -0.461 10 10 CBCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@H](CN)C1 2191540757 PNHUITOJERRCEZ-CYBMUJFWSA-N 298.412 -0.327 10 10 CBCE C[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@@H]1O 2197968702 VBFUMAUOZGLLID-OBJOEFQTSA-N 277.324 -0.040 10 10 CBCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)N1CC(O)C1 2213598312 SMLFOFVZQIBFAK-YUMQZZPRSA-N 261.307 -0.271 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2219611362 ALENDPUIZPAFNA-SDDRHHMPSA-N 257.261 -0.263 10 10 CBCE CC1(OCC(=O)O)CN(C(=O)c2cc(O)nc(O)c2)C1 161370599 WJZQUPZTNOANID-UHFFFAOYSA-N 282.252 -0.192 10 10 CBCE CC[C@H]1C(=O)NC(=O)CN1C(=O)c1ccc(O)c(O)c1 233944883 XAIJLPZWMFGZNV-QMMMGPOBSA-N 278.264 -0.025 10 10 CBCE NC[C@@]1(CO)COCCN1Cc1ccccc1O 693923631 GFLUVCONPFXZGA-CYBMUJFWSA-N 252.314 -0.086 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@@H]3CO)ccc2[C@H]1O 698130839 SHDIPTHPKZJOBN-KBVBSXBZSA-N 264.281 -0.396 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](O)C[C@H]2CO)cc1 698226860 IEXCQDYEMSXIQN-RYUDHWBXSA-N 265.313 -0.365 10 10 CBCE C[C@H](ON)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 708672969 KRERULACPDYGMN-POYBYMJQSA-N 284.268 -0.512 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(OC)cc1N 720593982 ABJDKOUDUVZHQO-UHFFFAOYSA-N 280.328 -0.424 10 10 CBCE C[C@H](O)[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1642587760 GMEODABEYRYNBO-CPCISQLKSA-N 255.270 -0.502 10 10 CBCE C[C@@H](O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876111 RXHHQWUJPPJRFN-SPGJFGJESA-N 271.225 -0.633 10 10 CBCE Nc1ccc(CC(=O)N2CCN(CCO)C(=O)C2)cc1 1970750200 TXOHKIBSQNLYRZ-UHFFFAOYSA-N 277.324 -0.526 10 10 CBCE COC[C@](O)(CO)CNCc1ccc(O)cc1O 2040782458 RDUGBOCGXKCQLK-GFCCVEGCSA-N 257.286 -0.443 10 10 CBCE N[C@@H]1C[C@@H](O)CN(C(=O)c2cccc(O)c2O)C1 2049114931 WJGRHJZVEMXHPO-HTQZYQBOSA-N 252.270 -0.368 10 10 CBCE O=C(N[C@@H](CO)CCCO)c1cc(O)c(O)c(O)c1 2132348768 RVJOONVPFZLFHQ-MRVPVSSYSA-N 271.269 -0.333 10 10 CBCE COCCN(CCN)C(=O)c1cc(O)c(O)c(O)c1 2132405267 XXWMPQXPVOKGRY-UHFFFAOYSA-N 270.285 -0.149 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2136339493 GWCHZUUHSMXPDN-RWMBFGLXSA-N 286.759 -0.038 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](CO)[C@@H](CO)C1 2144019085 LHDWBDBHXVIQDX-GHMZBOCLSA-N 281.308 -0.301 10 10 CBCE C[C@@]1(O)CON(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2149820669 SLCFHNCSCBTEKC-ZANVPECISA-N 282.296 -0.508 10 10 CBCE COC[C@](O)(CO)CNC(=O)CCc1ccc(N)cc1 2158608918 ZYYPSCIJWGVXAF-CQSZACIVSA-N 282.340 -0.313 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@@H](O)C1)NC(=O)CO2 2161355790 ZEQYCDFTJRNPFM-OCAPTIKFSA-N 279.296 -0.468 10 10 CBCE CN[C@H]1CCc2cc(N(CC(N)=O)CC(N)=O)ccc21 2184724569 BOVBYJRTBMVYAW-LBPRGKRZSA-N 276.340 -0.330 10 10 CBCE C[C@@]1(CN)COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188913023 OINBAVCTEVMUJY-CYBMUJFWSA-N 282.296 -0.007 10 10 CBCE CO[C@@H](CN)CNC(=O)c1cc(O)c(O)c(O)c1 2263471904 ODSUOJRBBQMVQE-ZETCQYMHSA-N 256.258 -0.493 10 10 CBCE O=C(NCc1ccccc1O)C1CN(C2CNC2)C1 2268984244 NVVUNGYRRRXZGR-UHFFFAOYSA-N 261.325 -0.088 10 10 CBCE NS(=O)(=O)CCCNCc1ccc(O)cc1O 45066899 PUUPQVLUSNWDIX-UHFFFAOYSA-N 260.315 -0.134 10 10 CBCE Oc1cc2c(c(O)c1O)CCN[C@@H]2Cn1cnnn1 75818951 DXMBUADNBWSXIY-MRVPVSSYSA-N 263.257 -0.323 10 10 CBCE Cc1cccc([C@H](N)C(=O)NC[C@@H](O)CO)c1O 83398389 NSECWHWBOJZHSY-SCZZXKLOSA-N 254.286 -0.830 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCCNC(=O)C3)cc21 131402587 LZRMVKTZYKSODJ-ZDUSSCGKSA-N 274.324 -0.011 10 10 CBCE NC(=O)NCCNC(=O)CCOc1ccc(N)cc1 131957395 XNFVELUIQRVWJT-UHFFFAOYSA-N 266.301 -0.178 10 10 CBCE O=C([C@H]1CNc2ccccc2N1)N1CC[C@@](O)(CO)C1 314453700 UALLUINKRBMZMP-OCCSQVGLSA-N 277.324 -0.152 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)[C@@H](CO)C3)cc21 316968305 IDPXYWVFVFZLPK-BZHVJNSISA-N 277.324 -0.548 10 10 CBCE C[S@](=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 385499115 FAJOEOQJJSUQTE-SKLCBMLGSA-N 259.283 -0.023 10 10 CBCE C[C@H](NS(=O)(=O)C[C@H](N)C(=O)O)c1ccccc1O 1877573470 LBWGDMUAXBHMOV-CBAPKCEASA-N 288.325 -0.216 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@@H]2NCCO[C@@H]21 1968738839 GEGVAHCGDFPFOO-FRRDWIJNSA-N 278.308 -0.257 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CNC[C@H]1O 1972710763 GUWCQUPWLUPEBG-BXKDBHETSA-N 266.297 -0.569 10 10 CBCE O=C1Nc2cc(N3CC(O)(CO)C3)ccc2[C@H]1O 2051896120 ARLALKIJMOMLGK-SNVBAGLBSA-N 250.254 -0.785 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CCO)C(=O)O 2087725521 WHISOYIAWKRVPZ-QMMMGPOBSA-N 269.253 -0.408 10 10 CBCE N[C@@H](CCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132414063 SXDJRCHJAANJGF-LURJTMIESA-N 270.241 -0.665 10 10 CBCE O=S1(=O)C[C@@H]2NCCN(Cc3ccc(O)cc3O)[C@H]2C1 2143719808 MYCJOZKRTIGQPO-RYUDHWBXSA-N 298.364 -0.331 10 10 CBCE O=C1Nc2cc(N3C[C@H](CO)C[C@@H]3CO)ccc2[C@@H]1O 2146080006 KPQYSEXBZOFYDM-JQEORGNBSA-N 278.308 -0.148 10 10 CBCE NCc1cc(F)c(N2CCOC[C@@H]2[C@@H](O)CO)c(F)c1 2146328180 DJQDIQSJGFGLSJ-NEPJUHHUSA-N 288.294 -0.018 10 10 CBCE COc1cc(N2CC[C@@](O)(CO)[C@H](O)C2)ccc1CO 2234092544 KSOSZBNTRIAKOG-ZIAGYGMSSA-N 283.324 -0.518 10 10 CBCE NC[C@@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2318628412 BKIVMIDYPFILQS-LLVKDONJSA-N 252.270 -0.698 10 10 CBCE CS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 35366587 SIQOBUQIVBPYPF-UHFFFAOYSA-N 257.315 -0.484 10 10 CBCE Cn1cnnc1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40468954 KCRVMJUAQNIFFA-VIFPVBQESA-N 291.311 -0.588 10 10 CBCE N[C@@H](CCC(=O)NCc1ccc(O)c(O)c1)C(=O)O 83496862 FSECUFKQEFAWGG-QMMMGPOBSA-N 268.269 -0.094 10 10 CBCE COC[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 229117999 JYZLLVCOKVHWIB-ZJUUUORDSA-N 284.312 -0.909 10 10 CBCE NC(=O)COCCNCc1cc2c(cc1O)OCO2 230049359 OWLKNXBYKGZEAE-UHFFFAOYSA-N 268.269 -0.288 10 10 CBCE NC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCCO1 313353347 YPMHRRHKZKDFBZ-SECBINFHSA-N 267.285 -0.317 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN2C[C@@H](O)C[C@@H]2C1 405317665 PXAYTNIYOOBZTN-ZJUUUORDSA-N 279.296 -0.616 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@]2(CNCCO2)C1 719952910 JHCJTSWJTUDZRZ-ZDUSSCGKSA-N 279.296 -0.303 10 10 CBCE [N-]=[N+]=NC1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1912182262 ZKZDDENEISJSKW-DTWKUNHWSA-N 260.319 -0.081 10 10 CBCE CS(=O)(=O)c1ncc([C@@H](CO)N=[N+]=[N-])c(O)n1 1951552293 JZNQCDNIWBCJKR-RXMQYKEDSA-N 259.247 -0.071 10 10 CBCE C[C@@](O)(CCO)CNC(=O)c1cccc(O)c1O 2045282397 HPIYRGFZVOHRML-GFCCVEGCSA-N 255.270 -0.039 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COC[C@H]2N)cc1 2071694351 IHGAPFORMXSYCY-GHMZBOCLSA-N 251.286 -0.510 10 10 CBCE Nc1ccc(OCC(=O)NN2CCNCC2)cc1 2071726339 IIELEDWLQXJGRH-UHFFFAOYSA-N 250.302 -0.416 10 10 CBCE O=c1c2c(ccn1C[C@H]1CCS(=O)(=O)N1)CCNC2 2094407446 QBLMEGDYPQWEGA-SNVBAGLBSA-N 283.353 -0.814 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)c1nccnn1 2126169077 UATCZSHGEQAXMJ-UHFFFAOYSA-N 258.285 -0.054 10 10 CBCE C[C@]1(CO)CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2153561989 GJTNMITVNMOTMH-IINYFYTJSA-N 280.324 -0.049 10 10 CBCE O=C(NC[C@@H]1C[C@H]2COC[C@H]2N1)c1cc(O)nc(O)c1 2153855586 QRVOMHPQADMNEH-LPEHRKFASA-N 279.296 -0.401 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O)c1c(O)cccc1O 2177943292 FRMKCYHMSNLRCA-DGAYGXLSSA-N 283.324 -0.149 10 10 CBCE N[C@@H]1COC[C@@H]1CCNC(=O)c1cc(O)c(O)c(O)c1 2188912382 JVDAYNMLQNIQOB-IONNQARKSA-N 282.296 -0.103 10 10 CBCE NC[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCO1 2191592715 DAHXIUQSJUMYLU-MRVPVSSYSA-N 278.312 -0.236 10 10 CBCE Nc1ccc(OCC(=O)N2CCO[C@H]3CNC[C@H]32)cc1 2191719887 MZUPFCLQRNXOQK-OLZOCXBDSA-N 277.324 -0.153 10 10 CBCE CON(C)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2234119452 RSPJIQTUCMOGIA-JTQLQIEISA-N 283.328 -0.423 10 10 CBCE NC(=O)[C@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2268353492 TZQOYDNBASTPPP-DTWKUNHWSA-N 264.281 -0.122 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)ccc1CO 2273671539 GLVOXOJSLKXKDX-FPMFFAJLSA-N 267.325 -0.362 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332913798 UXYGLOCUHWZVEZ-VGYUKGMSSA-N 271.288 -0.218 10 10 CBCE C1=NC2=NC=N[C@@H]2C(N=NC2=NC=N[C@@H]3N=CN=C23)=N1 2333261559 ZEHCQPHQOLWEQT-XNCJUZBTSA-N 266.228 -0.063 10 10 CBCE CN(C)CCNC(=O)[C@@H](N)c1cccc(O)c1O 83395680 MQZFBIILWYLRKO-JTQLQIEISA-N 253.302 -0.225 10 10 CBCE O=C(NC1(CCO)CNC1)c1cccc(O)c1O 398106686 BQHLEYDCBRNNIZ-UHFFFAOYSA-N 252.270 -0.448 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN1[C@H]1CS(=O)(=O)C[C@@H]1O 2009446052 TVCFFOGZKQBGBL-VGMNWLOBSA-N 260.319 -0.081 10 10 CBCE Nc1ccc(CS(=O)(=O)NOC2CNC2)cc1 2016969108 HBPTUIFBFSMCMO-UHFFFAOYSA-N 257.315 -0.408 10 10 CBCE O=C(N[C@@H]1C[C@@H](O)C[C@H]1O)c1cc(O)nc(O)c1 2046405545 JXMYQKGJLMUGGZ-BWZBUEFSSA-N 254.242 -0.893 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O)c1ccc(O)cc1O 2108832691 QWEDGMFSZNGFHM-XYQXETQSSA-N 269.297 -0.397 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2161353986 DKKQSCAKCAMBGY-CWSCBRNRSA-N 277.324 -0.169 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2174106394 HOAYGNDQIVASIG-GHMZBOCLSA-N 299.352 -0.669 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2188868188 NHFRLJPZARZGOG-NKWVEPMBSA-N 283.236 -0.367 10 10 CBCE CN1CCN[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 2191695809 NSMANWVQMRVOGG-CYBMUJFWSA-N 298.412 -0.408 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H](N)CCC(N)=O)cc1 2206156707 XYEPBDIIJJTQPA-LBPRGKRZSA-N 278.356 -0.038 10 10 CBCE C[C@@H](O)[C@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341151800 HFALUYNRUCSXMI-KRTXAFLBSA-N 266.297 -0.309 10 10 CBCE CC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486852 SZSULUONVPYCSI-BDAKNGLRSA-N 282.296 -0.053 10 10 CBCE NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCc1ccc(N)cc1 103475760 AUTWUHCUGPLRRL-VXGBXAGGSA-N 277.324 -0.352 10 10 CBCE CN1CCN(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 147552170 OAXNSKCHPLIHTI-NSHDSACASA-N 294.355 -0.754 10 10 CBCE COc1ccc(O)c([C@H](C)NC[C@@H](O)C(N)=O)c1 228628628 SORUAOZQSMXLMH-WRWORJQWSA-N 254.286 -0.102 10 10 CBCE CO[C@H](CNC(=O)c1cc(O)nc(O)c1)CC(=O)O 232106916 GFEKFOMFXWUXMK-ZETCQYMHSA-N 270.241 -0.288 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](O)C3)ccc21 234438483 XTXJRRMSIXUESF-SRVKXCTJSA-N 263.297 -0.559 10 10 CBCE CS(=O)(=O)N1CCC(NCCN=[N+]=[N-])(C(=O)O)CC1 305922336 CHRJALMQYOVBKM-UHFFFAOYSA-N 291.333 -0.235 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 692825072 RYDXRTZDCVLGMN-RQJHMYQMSA-N 266.261 -0.114 10 10 CBCE COc1ccc(CNCC(O)(CO)CO)c(O)c1 1913799647 SCUHCSGTKPMREK-UHFFFAOYSA-N 257.286 -0.794 10 10 CBCE CN(C(=O)CN1CC(CO)(CO)C1)c1ccc(N)cc1 1914991542 NEOYBNOWDGJRHS-UHFFFAOYSA-N 279.340 -0.482 10 10 CBCE O=C(NC[C@]1(O)CCCOC1)c1cc(O)nc(O)c1 2111795739 OZHMINIAERYXMU-GFCCVEGCSA-N 268.269 -0.236 10 10 CBCE CN(C)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C[C@H]1O 2146159441 UTPTXDNJFSEXKW-UPJWGTAASA-N 277.324 -0.217 10 10 CBCE Cc1cc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)ccc1CN 2166790332 FGMYKJOTCSUNSD-VXGBXAGGSA-N 274.324 -0.743 10 10 CBCE CSc1ncc(CNC(=O)CNC(=O)CN)s1 2248610905 NBVQVPLAFBPONB-UHFFFAOYSA-N 274.371 -0.444 10 10 CBCE CN(C)c1ccc(CN2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)cc1 2296867131 SARWTSMUHPDDGA-JHJVBQTASA-N 280.324 -0.257 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CS(=O)(=O)[C@H]2C1 2336481111 WQUSQPLSGCOCAX-KCJUWKMLSA-N 283.305 -0.033 10 10 CBCE O=C1CC[C@H](NC(=O)c2cccc(O)c2O)C(=O)N1 158739400 HMWGCUFSEBYUNJ-ZETCQYMHSA-N 264.237 -0.367 10 10 CBCE C[C@H](O)[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 235551989 PIVURBHJDMIRFT-CDUCUWFYSA-N 255.226 -0.338 10 10 CBCE O=C(CN1CC[C@@H](O)[C@@H](CO)C1)c1ccc(O)c(O)c1 396848359 JBJISEATXIFOEF-GHMZBOCLSA-N 281.308 -0.044 10 10 CBCE CN([C@H]1COC[C@@H]1O)S(=O)(=O)Cc1ccc(N)cc1 709343558 GPXPBLFIMVCVAB-RYUDHWBXSA-N 286.353 -0.210 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 803162209 BHRXAILGAPTHLI-PMUGQKEBSA-N 292.291 -0.440 10 10 CBCE O=C(NC[C@]1(CO)COCCN1)c1cc(O)cs1 913181508 LCRCBUQRRVQYLZ-NSHDSACASA-N 272.326 -0.466 10 10 CBCE Nc1ccc(CC(=O)N2CCNCCNCC2)cc1 1341224259 ZPLATSGVDSHQSP-UHFFFAOYSA-N 262.357 -0.167 10 10 CBCE O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cc(O)ccc1O 1644752304 AHIRRIQLGIITFG-VIFPVBQESA-N 293.279 -0.298 10 10 CBCE COc1ccc(N2C[C@@H](C(N)=O)C[C@@H](N)C2)c(N)c1 1876299788 UKZKFAUZLZSYAI-DTWKUNHWSA-N 264.329 -0.084 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)C[C@H](O)C1 2043180862 AKPOZZFRLOJFKL-YUMQZZPRSA-N 253.254 -0.335 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@H]3OCC[C@H]3N2)C1 2049783319 URAQGKQRRAOXLS-APWOSFEXSA-N 252.314 -0.229 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2080937037 BNCMSSBVQCCQQL-KMLBCRHOSA-N 253.298 -0.357 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)C[C@@H]1O 2116188924 NFHPNEMNUPEWJI-ZOFUNIGCSA-N 266.297 -0.074 10 10 CBCE CCN(CCC[C@@H](C)N)CCOc1nnc(=N)[nH]n1 2226133835 MJPDLLWVRIRZMW-SECBINFHSA-N 269.353 -0.493 10 10 CBCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1nnn[nH]1 44887076 WXEAEBYNWHCIRI-ZETCQYMHSA-N 282.329 -0.038 10 10 CBCE CN(C)C(=O)N1CCC(NCCN=[N+]=[N-])(C(N)=O)CC1 132896614 GUSQNLIJZWYYBN-UHFFFAOYSA-N 283.336 -0.112 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@]2(O)CCOC2)cc1 227100263 XAUZBCCUMBOLCD-LBPRGKRZSA-N 286.353 -0.160 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@H]3CO)ccc21 698112807 FPUCTZZSEZUHSA-CWSCBRNRSA-N 277.324 -0.169 10 10 CBCE CN(Cc1nn[nH]n1)S(=O)(=O)Cc1ccc(N)cc1 706795516 BRZZSIJHQSBWQQ-UHFFFAOYSA-N 282.329 -0.256 10 10 CBCE O=C(N[C@@H]1CCNC[C@H]1O)c1ccc(O)c(O)c1 710368178 JJLQHDONTBUEMC-LDYMZIIASA-N 252.270 -0.450 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC1(CO)COC1 1466258993 JVOINIGCZPURFI-UHFFFAOYSA-N 267.281 -0.235 10 10 CBCE CN[C@@H](c1ccccc1O)C1(O)CS(=O)(=O)C1 1943689887 IMHITCXQBKIXME-JTQLQIEISA-N 257.311 -0.188 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(S(C)(=O)=O)C3)cc21 2152285111 OABKKSFANDQHNR-GFCCVEGCSA-N 295.364 -0.104 10 10 CBCE Nc1ccc(NC(=O)N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2183652476 WNAHWECQGUWHMD-QWRGUYRKSA-N 279.296 -0.393 10 10 CBCE O=C(CNC(=O)c1cc(O)c(O)c(O)c1)NCC(F)F 2188874613 IXTUEXCWDWTBTA-UHFFFAOYSA-N 290.222 -0.086 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CC(=O)NC1=O 2188924590 RCTSLFBHCXYMHE-LURJTMIESA-N 280.236 -0.710 10 10 CBCE C[C@@]1(O)CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1O 2201529709 UURFIRWLJJWMIP-GXFFZTMASA-N 283.280 -0.239 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCO2 2219585975 HBSRPHOEUIWEFU-NTZNESFSSA-N 251.282 -0.476 10 10 CBCE O=[N+]([O-])c1cc(NS(=O)(=O)N2CC(O)C2)ccc1O 2227908929 YVAGZJNNMIGSPB-UHFFFAOYSA-N 289.269 -0.366 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ncon1 2232293775 ZLLNVDAYVPXPJR-ZETCQYMHSA-N 264.241 -0.011 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2289411017 LIIJTHUEAFGHFF-AEGPPILISA-N 280.368 -0.153 10 10 CBCE N=c1nnc(OCC(F)(F)C(F)(F)CN)n[nH]1 2299894987 RDXOHOQIVQCOPL-UHFFFAOYSA-N 256.163 -0.713 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2332920057 LZCVVIWFPNHQEW-LDICSKNTSA-N 270.304 -0.252 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(=O)O)CCCS(=O)(=O)C1 90256348 CZNGUOUWWKJORW-QMMMGPOBSA-N 262.291 -0.082 10 10 CBCE C[C@@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 136131849 YNVDYJNTVMIGKG-CBAPKCEASA-N 281.312 -0.652 10 10 CBCE O=C(CCn1cnnn1)NCc1ccc(O)c(O)c1 1566359656 JESUGAMUFMDZCY-UHFFFAOYSA-N 263.257 -0.209 10 10 CBCE O=C(CCN1C(=O)CSC1=S)N1CC[C@H](O)C1 1865765889 OVQKLAIZCAPDPU-ZETCQYMHSA-N 274.367 -0.170 10 10 CBCE Nc1ccc(CNS(=O)(=O)N2CC[C@@H](O)C2)cc1 1914136688 CPQKAQYANKORHB-LLVKDONJSA-N 271.342 -0.330 10 10 CBCE Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c(O)c1 2084063886 LRIVQGWHQUSVNC-PWSUYJOCSA-N 271.338 -0.052 10 10 CBCE O=C(N[C@@H](C(=O)O)C1COC1)c1cccc(O)c1O 2104891637 BWXUARRODRYFQK-SECBINFHSA-N 267.237 -0.073 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1Cc1ccc(O)cc1O 2136097497 XBYWNGSHIUKGML-GARJFASQSA-N 269.253 -0.912 10 10 CBCE NCc1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)cc1F 2166791590 UTFVHEVVCVEXOB-GHMZBOCLSA-N 278.287 -0.912 10 10 CBCE NCc1ccc2c(c1)CCCN2CC(CO)(CO)CO 2179738944 SUQZFNVOBORAJM-UHFFFAOYSA-N 280.368 -0.139 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(F)c1F 2184135422 IDXGULNEJPJQQS-SNVBAGLBSA-N 284.266 -0.786 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CNCC[C@@H]2CO)cc1 2191651423 YPJGFLUVIKIVNJ-MFKMUULPSA-N 279.340 -0.266 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]3[C@H](O)CO)ccc21 2286225677 JWAWKQCRUIAOLY-XQQFMLRXSA-N 277.324 -0.169 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)COCC3)C[C@@H](O)[C@@H]1O 2289344323 YHNACWLGMPCAKW-NWANDNLSSA-N 279.336 -0.090 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)[C@@H]2COC[C@@H]21 2329203733 PBTUZHAZMTZLPZ-WCABBAIRSA-N 265.265 -0.071 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@H]3CO)ccc21 698113640 GNTSXTXEVMEBTJ-SBMIAAHKSA-N 263.297 -0.430 10 10 CBCE C[C@H](O)[C@@H](O)CNC(=O)COc1ccc(N)cc1 717362973 BWBJIOLCFCREGB-KWQFWETISA-N 254.286 -0.495 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@@H]1c1nn[nH]n1 1454555226 SWZWARXAOQDAPY-MRVPVSSYSA-N 291.267 -0.175 10 10 CBCE CCn1cc(S(=O)(=O)N2CC(N=[N+]=[N-])C2)nn1 1912202138 CEDDLBDVIVBGTP-UHFFFAOYSA-N 257.279 -0.019 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCO[C@]12CCOC2 1912207177 VXQUTTGBZVBEDN-VHSXEESVSA-N 255.278 -0.310 10 10 CBCE CC1(C(N)=O)CN(C(=O)COc2ccc(N)cc2)C1 1914216830 WFYPMEFBDZZEBU-UHFFFAOYSA-N 263.297 -0.019 10 10 CBCE C[C@](N)(CO)CNC(=O)COc1ccc(N)cc1 2071710064 WXHSEXOCIDYMJN-GFCCVEGCSA-N 253.302 -0.527 10 10 CBCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2ccc(O)cc2O)C1 2094663372 RVGGPHLPONTJQA-VHSXEESVSA-N 265.313 -0.268 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@]1(CN)CCOC1 2098946215 OVAHHYZXKWCBEM-LBPRGKRZSA-N 267.285 -0.317 10 10 CBCE Nc1ccc(CC(=O)NC2CN(CC(=O)O)C2)cc1 2112981251 QHTJPFUYPPCNGV-UHFFFAOYSA-N 263.297 -0.304 10 10 CBCE CNC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 2132350558 OMLMTSJPIKTDQR-UHFFFAOYSA-N 269.257 -0.538 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN[C@@H]2COC[C@@H]21 2132438700 XYKUTHVXFSKYJS-ZJUUUORDSA-N 264.281 -0.089 10 10 CBCE N[C@@H]1CCc2cc(N3CC4(C3)OC[C@@H](O)[C@@H]4O)ccc21 2184730090 RFCAKMYYTBPQQM-MCIONIFRSA-N 276.336 -0.057 10 10 CBCE CN[C@@H]1CCOC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188912719 MEVNXEGDISAKRA-BDAKNGLRSA-N 282.296 -0.090 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1Cc1cc(F)cc(F)c1O 2200843336 HUCQMMYHBORPQY-WCABBAIRSA-N 289.234 -0.339 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@H](O)[C@@H]1CF)OCCO2 2205598562 FSTWVDHGEZJZIJ-OUJBWJOFSA-N 284.287 -0.080 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)ccc1CO 2273671541 GLVOXOJSLKXKDX-UBHSHLNASA-N 267.325 -0.362 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)COCC3)C[C@H](O)[C@@H]1O 2289344321 YHNACWLGMPCAKW-AEGPPILISA-N 279.336 -0.090 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40464095 XYSHRTVTLSBBLU-QMMMGPOBSA-N 268.269 -0.743 10 10 CBCE Cc1noc(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)n1 40469007 YXXZDPXEHUPPNX-VIFPVBQESA-N 292.295 -0.025 10 10 CBCE OC[C@H](O)COc1ccc(N2CCNCC2)cc1 130561583 NHXUVACGVOMTNU-LBPRGKRZSA-N 252.314 -0.172 10 10 CBCE N=c1nc([C@H](N)Cc2ccc(O)c(O)c2)[nH]c(=N)[nH]1 382518251 SEHTUOARLMHSOK-ZCFIWIBFSA-N 262.273 -0.650 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCN1CC[C@@H](O)C1 1470960888 ICOACNIXLHYLLZ-LLVKDONJSA-N 280.324 -0.177 10 10 CBCE CN1CCc2cc([C@H](N)[C@H](O)c3nnn(C)n3)ccc21 2163139494 AZXXPHAGQIIBDN-RYUDHWBXSA-N 274.328 -0.064 10 10 CBCE O=C(O)[C@@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188868711 VRDHBGLVTQRISC-ZETCQYMHSA-N 283.236 -0.271 10 10 CBCE OC[C@@]1(O)CCN(c2ccc3c(c2)CC[C@H]3O)C[C@H]1O 2234093073 QNPOKINMUZBVGX-KFWWJZLASA-N 279.336 -0.039 10 10 CBCE O=C(c1cccc(O)c1O)N1CCO[C@@H](CO)C1 126495411 HNRHGAQFGLDEAO-MRVPVSSYSA-N 253.254 -0.069 10 10 CBCE OCC(CO)(CO)NCc1cccc(Cl)c1O 236497223 BMWANIVCHRMAJJ-UHFFFAOYSA-N 261.705 -0.149 10 10 CBCE O=C(O)Cc1nonc1N=[N+]([O-])c1nonc1CC(=O)O 242547680 KRVFREAIMKBNLL-UHFFFAOYSA-N 298.171 -0.368 10 10 CBCE NS(=O)(=O)CCCCNCc1ccc(O)c(O)c1O 389297745 PBIWDIDKVJCLRZ-UHFFFAOYSA-N 290.341 -0.038 10 10 CBCE NS(=O)(=O)C1(CNCc2ccc(O)c(O)c2O)CC1 713965203 SMKHMPZYDFVQCV-UHFFFAOYSA-N 288.325 -0.286 10 10 CBCE COc1ccc(O)c(CNC(=O)CNC(N)=O)c1 734017622 RDMXHAUFXWXQRK-UHFFFAOYSA-N 253.258 -0.315 10 10 CBCE Cc1ccc(C(=O)NC[C@H](O)Cn2ccnn2)c(O)c1O 1299099839 CZWMYBSVZJJCCQ-VIFPVBQESA-N 292.295 -0.211 10 10 CBCE NS(=O)(=O)C1CN(C(=O)c2cccc(O)c2O)C1 1642502985 IHNSVACEXOYBIN-UHFFFAOYSA-N 272.282 -0.789 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H](CO)C(=O)O)cc1 1860080679 MMIUNIAFRMRZGY-VIFPVBQESA-N 254.242 -0.791 10 10 CBCE N[C@@H](c1ccc(N2CCOCC2)cc1)[C@H](O)C(=O)O 1952101542 ACVZBSIUFRHXEV-RYUDHWBXSA-N 266.297 -0.032 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1[C@H]1CS(=O)(=O)C[C@H]1O 2009446053 TVCFFOGZKQBGBL-XHNCKOQMSA-N 260.319 -0.081 10 10 CBCE Nc1cc2c(cc1N1CCNNCC1)OCCO2 2071596326 ZCJWZNAHIBLATN-UHFFFAOYSA-N 250.302 -0.046 10 10 CBCE C[C@@H](O)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 2117531670 QOLUETASJZMVMZ-VXNVDRBHSA-N 268.269 -0.285 10 10 CBCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)C(=O)O 2132348162 FRWNPSPFBJJDLQ-SPGJFGJESA-N 271.225 -0.633 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1O 2136340842 YFHIYZBRTYTAAR-CETXONJKSA-N 268.313 -0.685 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@]2(CO)C[C@]2(CO)C1 2146314141 PQZIADGQRPSMKP-BETUJISGSA-N 280.280 -0.690 10 10 CBCE O=C(N[C@H](C(=O)O)[C@@H]1CCOC1)c1cc(O)nc(O)c1 2149323929 AEIVZFFOHKLFTO-LDWIPMOCSA-N 282.252 -0.288 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4OC(=O)N[C@@H]4C3)ccc21 2176915872 CIFVWDMLFAWHCL-VWYCJHECSA-N 274.280 -0.065 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@H](O)[C@H]1CO 2232102385 KOYXPXRIKMZZDH-GSVCSZOMSA-N 267.325 -0.049 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@H]2[C@@H](O)CO)cc1 2286209686 OMAFYWGAYVBGMA-XBFCOCLRSA-N 282.340 -0.564 10 10 CBCE Cc1cc([C@@H](C)N)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2333977456 QSTXXHLHNVGECQ-PCDDKUFXSA-N 266.341 -0.083 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2354478168 HUGHZEOLYAQBQH-LBLXLQPISA-N 279.292 -0.407 10 10 CBCE COC(=O)C[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 234515312 IIUVEULMXDDSNF-ZETCQYMHSA-N 283.236 -0.156 10 10 CBCE COc1cccc(CNC(=O)CN2CCOCC2=O)c1O 280396359 FZAUBYQDNJIYTN-UHFFFAOYSA-N 294.307 -0.124 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@H]3CO)ccc2[C@H]1O 698130846 SHDIPTHPKZJOBN-YGOYTEALSA-N 264.281 -0.396 10 10 CBCE O=C(NC[C@H](O)Cn1ccnn1)c1cccc(O)c1O 1556947194 KOGOVRPZJIYJDY-QMMMGPOBSA-N 278.268 -0.520 10 10 CBCE CN(C(=O)CN1CC(N=[N+]=[N-])C1)[C@H]1CCS(=O)(=O)C1 1912152574 VTXPFAIPWHWVJD-VIFPVBQESA-N 287.345 -0.374 10 10 CBCE Cn1cccc([C@H](NCCN=[N+]=[N-])C(N)=O)c1=O 2057620434 LOPWUWSFXAIVMR-QMMMGPOBSA-N 250.262 -0.188 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccccc2O)[C@H](O)[C@@H]1O 2057791109 JPSWLGZFJBLODH-DJIHRAIXSA-N 253.298 -0.416 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NC(=O)c1cccc(O)c1O 2117487649 ZENNEYRKMNVWRN-XCBNKYQSSA-N 266.253 -0.530 10 10 CBCE C[C@H]1CNC(=O)CN1c1ccc2c(c1)NC(=O)[C@H]2O 2124757796 AOLFCMQZZXKAIM-MADCSZMMSA-N 261.281 -0.003 10 10 CBCE C[C@H](c1ccc(O)cc1O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)O 2200862906 OMRMFXYVLZROPN-IJOYTFPISA-N 283.280 -0.351 10 10 CBCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CF 2205616144 VJUXAZSKOKSJIX-WOPDTQHZSA-N 286.259 -0.033 10 10 CBCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2332924020 CRBIFGCOVHKWGU-TUAOUCFPSA-N 290.722 -0.160 10 10 CBCE C[C@H](NC(=O)[C@H]1NCC[C@@H](O)[C@H]1O)c1ccccc1O 2357204522 NVXYQZLVFKURPO-OQCKYNKVSA-N 280.324 -0.347 10 10 CBCE NC(=O)COCCNC(=O)CCOc1ccc(N)cc1 230027197 YYPODDPGZZORKG-UHFFFAOYSA-N 281.312 -0.344 10 10 CBCE C[C@H](O)CNCCNC(=O)c1ccc(O)c(O)c1 235535336 LJVXXKMNWPKZCP-QMMMGPOBSA-N 254.286 -0.202 10 10 CBCE CN1CCN[C@H](CNC(=O)c2ccc(O)c(O)c2)C1 694873051 OHMAHRDUYUIEBT-SNVBAGLBSA-N 265.313 -0.269 10 10 CBCE CCO[C@H]1CNCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 1912199456 SLTLFACUJACGSA-GXSJLCMTSA-N 270.337 -0.101 10 10 CBCE Nc1cc2c(cc1N1CC(S(N)(=O)=O)C1)CCC(=O)N2 1914973249 ZUQSBCIASVIPKD-UHFFFAOYSA-N 296.352 -0.369 10 10 CBCE C[C@](CS(C)(=O)=O)(NCCCN=[N+]=[N-])C(N)=O 2003947011 RADRTJCOQYMIAO-MRVPVSSYSA-N 263.323 -0.435 10 10 CBCE CN(C[C@H](O)CN)C(=O)Cc1ccc(O)c(O)c1 2027478540 GKBZMQAEIXHVBG-SECBINFHSA-N 254.286 -0.582 10 10 CBCE N[C@H]1[C@H]2C[C@H]1N(C(=O)c1cc(O)c(O)c(O)c1)C2 2068621076 LUHOKFBBVBMHID-PJKMHFRUSA-N 250.254 -0.025 10 10 CBCE C[C@@H](NS(=O)(=O)N1CC(O)C1)c1ccccc1O 2072485791 IRJSNCVSTCWGEY-MRVPVSSYSA-N 272.326 -0.036 10 10 CBCE COC[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 2096068678 QPKYBICINVMKBJ-SNVBAGLBSA-N 287.341 -0.812 10 10 CBCE CN1CCc2cc(CNCCNS(N)(=O)=O)ccc21 2101337952 SKAKYHGGSGNVKF-UHFFFAOYSA-N 284.385 -0.438 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](CO)C[C@@H]1CO 2146128355 LWEQSXWZSFSQPG-WDEREUQCSA-N 281.308 -0.158 10 10 CBCE O=C(O)C[C@H]1COC[C@H]1NC(=O)c1cc(O)nc(O)c1 2187923464 CXDGHKYJRZFIBI-JGVFFNPUSA-N 282.252 -0.288 10 10 CBCE CC1(C)[C@@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2201312845 FSNDGMCZTUZGMT-CABZTGNLSA-N 280.324 -0.051 10 10 CBCE CCOc1cccc(CNC(CO)(CO)CO)c1O 233782135 FYYUSWYZBINAMP-UHFFFAOYSA-N 271.313 -0.404 10 10 CBCE O=C(NC[C@@H]1COCCN1)c1cccc(O)c1O 236611593 PLZDTTPJIHWLSU-MRVPVSSYSA-N 252.270 -0.184 10 10 CBCE O=C(N[C@@]1(CO)CCCNC1)c1cc(O)nc(O)c1 711742165 MEIPQPTVPJLMOD-LBPRGKRZSA-N 267.285 -0.663 10 10 CBCE Nc1ccc(CC(=O)N2CC(=O)NC[C@@H]2C(=O)O)cc1 2150684570 JQPATIDNTKKWDQ-SNVBAGLBSA-N 277.280 -0.777 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNCC[C@H]1CO 2172893278 PAWQHMKBSYLKLB-WDEREUQCSA-N 280.324 -0.273 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2COC[C@H]12 2188919925 QRUHFQRUWOHUNL-IWSPIJDZSA-N 280.280 -0.399 10 10 CBCE CN1CCNC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2188924678 QGWKGLDVUPFUPT-SECBINFHSA-N 281.312 -0.563 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OCF)cc1 2263851713 WAONGOLBQOFZBP-GRYCIOLGSA-N 257.261 -0.105 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC(O)(CCO)C1 2270663812 GLLPIVPPPLVSHH-UHFFFAOYSA-N 267.281 -0.404 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@H](O)C2 2355337395 CLMQLGHZQSYKNT-CCQAIOMUSA-N 280.280 -0.551 10 10 CBCE OC[C@@H](O)COc1ccc(N2CCNCC2)cc1 130561370 NHXUVACGVOMTNU-GFCCVEGCSA-N 252.314 -0.172 10 10 CBCE C[C@H](N)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 132701896 ISZWXTJFPMHDSB-IONNQARKSA-N 267.285 -0.319 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H](CO)C1 227041238 SOTRBWGZPIZTSQ-SECBINFHSA-N 253.254 -0.069 10 10 CBCE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 234557390 AXXGRLLMDKUTEB-BDAKNGLRSA-N 281.264 -0.154 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@H](O)[C@@H](O)C2)cc1 236369325 QUVPMSQDAPEYBZ-RYUDHWBXSA-N 266.297 -0.398 10 10 CBCE NC(=O)C1(O)CCN(Cc2cc(N)ccc2O)CC1 312002420 RRVMQMRMTSGQCF-UHFFFAOYSA-N 265.313 -0.213 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)C(CO)CO 381302835 BBCKUIGGWZFIJZ-LLVKDONJSA-N 251.286 -0.572 10 10 CBCE CN(CCOCCO)C[C@H](O)COc1ccc(N)cc1 383520214 HRDQNAZYLAONOS-ZDUSSCGKSA-N 284.356 -0.051 10 10 CBCE Cn1[nH]c(=O)c(=O)nc1Sc1ncc(C(=O)O)s1 386285833 FZNZOZVMBZQPKD-UHFFFAOYSA-N 286.294 -0.226 10 10 CBCE C[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC(=O)N1 395735991 VSOIZTPBEFZHNQ-SSDOTTSWSA-N 276.296 -0.076 10 10 CBCE Cc1cc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1CN 693393331 SNSXMXMSCRHEBO-RYUDHWBXSA-N 276.340 -0.523 10 10 CBCE NC(=O)N[C@@H]1CCN(C(=O)COc2ccc(N)cc2)C1 700698568 VBNBDYIMPFHTJN-SNVBAGLBSA-N 278.312 -0.083 10 10 CBCE C[C@H](NC(=O)[C@H]1CN(C)C(=O)CN1)c1ccccc1O 1122115184 VLAQZMFUTLJXKJ-GXSJLCMTSA-N 277.324 0.000 10 10 CBCE CN1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1 1349581039 KAOOMGULKMDXRC-UHFFFAOYSA-N 291.311 -0.120 10 10 CBCE Cn1nnc(C(=O)NCc2c(O)cccc2F)n1 1635366621 FIGWVPGDTYJKJM-UHFFFAOYSA-N 251.221 -0.015 10 10 CBCE NC(=O)CC[C@@H](NC(=O)COc1ccc(N)cc1)C(=O)O 1860080847 RTDLSIDNIJWROG-SNVBAGLBSA-N 295.295 -0.518 10 10 CBCE CNC[C@@H](O)CN(C)S(=O)(=O)Cc1ccc(N)cc1 1876531091 JQZFZCNIWDAOLQ-GFCCVEGCSA-N 287.385 -0.389 10 10 CBCE COc1ccc(O)c([C@@H]2CS(=O)(=O)NCCN2)c1 1952460322 YHAXKTXZHCMNIC-JTQLQIEISA-N 272.326 -0.036 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H](O)[C@H](O)[C@H]1CO 2080939358 SPGBJKUNKSZCEW-FRRDWIJNSA-N 253.298 -0.610 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2136336324 LZCVVIWFPNHQEW-GUQKDYTMSA-N 270.304 -0.252 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@]1(CO)CCCNC1 2144030038 LOVAGFDXEDMRBX-AWEZNQCLSA-N 280.324 -0.129 10 10 CBCE NCCN1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 2191536821 QDWXLEWFUHEVRD-UHFFFAOYSA-N 298.412 -0.325 10 10 CBCE C[C@]1(O)CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1O 2197969210 WPHOHJBNFBKWFF-GWCFXTLKSA-N 283.280 -0.239 10 10 CBCE O=C(CN1C[C@H](O)[C@@H](O)[C@H]1CF)c1ccc(O)c(O)c1 2205617706 ITIFSSBULINCOK-JCOFBHIZSA-N 285.271 -0.344 10 10 CBCE Nc1cc2c(cc1N1CCO[C@@H](CO)C1)NC(=O)CO2 166986749 QJNJLHYAXLRBHG-MRVPVSSYSA-N 279.296 -0.203 10 10 CBCE NC(=O)C1CN(CC(=O)c2ccc(O)c(O)c2)C1 381975237 BVLFBNLJFAIGKK-UHFFFAOYSA-N 250.254 -0.302 10 10 CBCE C[C@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 704639103 FGDUDWMUETUZQA-GAJTVXKRSA-N 277.324 -0.040 10 10 CBCE CN(C(=O)CN(C)[C@H]1COC[C@H]1O)c1ccc(N)cc1 709258397 NMPMPHGIDPQUMJ-QWHCGFSZSA-N 279.340 -0.077 10 10 CBCE CNCc1ccc(N2CC(O)(C(N)=O)C2)c(F)c1 1915249262 UYEWYYOZXGSVRS-UHFFFAOYSA-N 253.277 -0.419 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1O 2089918333 GYNMIHUVTZIIDL-JOYOIKCWSA-N 266.297 -0.155 10 10 CBCE O=C(N[C@H]1COC[C@H]1CO)c1cc(O)c(O)c(O)c1 2132348542 NULNOQAHLOBNQK-SFYZADRCSA-N 269.253 -0.460 10 10 CBCE CO[C@@H]1COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132408084 UHHZZIJWVGJTCF-GMSGAONNSA-N 269.253 -0.053 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1ccc(O)c(O)c1 2142489990 IKKWHSBRLYEFJZ-JOYOIKCWSA-N 287.337 -0.001 10 10 CBCE NC(=O)[C@@H]1C[C@H](N)CN(C(=O)c2ccc(O)c(O)c2)C1 2151041083 JHHGAQSPXLNQBT-BDAKNGLRSA-N 279.296 -0.628 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N(C)C3CS(=O)(=O)C3)cc21 2152233336 GFLYLTJNFOVTMI-LBPRGKRZSA-N 295.364 -0.104 10 10 CBCE CNCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(F)c1 2183630844 FMHDOGLEQXDNJY-OLZOCXBDSA-N 282.315 -0.144 10 10 CBCE C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1CC(N)C1 2188303784 GAAWMSFAHJYLDC-SECBINFHSA-N 279.340 -0.212 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2273692367 FQUQSHTZCADGKW-RETIQXCHSA-N 266.341 -0.143 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1ccc(OC)cc1O 83496882 AUOVCDNPDURTIX-LLVKDONJSA-N 268.269 -0.310 10 10 CBCE O=C(O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 401976595 VNOFYUOGEUAFCX-SFYZADRCSA-N 282.252 -0.600 10 10 CBCE CNC[C@H](O)CN(C)C(=O)c1ccc(O)c(O)c1 708829209 WGUXYDQBKOKBQU-VIFPVBQESA-N 254.286 -0.250 10 10 CBCE Cn1cc([C@@](C)(NCCCN=[N+]=[N-])C(N)=O)nn1 715070091 WIYFENIAHKYSHM-SECBINFHSA-N 252.282 -0.194 10 10 CBCE C[C@](O)(CO)CNC(=O)/C=C\c1ccc(O)c(O)c1 801974028 MBUJFXUUGYAWPN-HSBHDXMMSA-N 267.281 -0.030 10 10 CBCE CN(C)c1ccc([C@@H](N)CNS(=O)(=O)C2CNC2)cc1 923633887 ITBQYVBVVOLQKA-ZDUSSCGKSA-N 298.412 -0.356 10 10 CBCE Cn1nnnc1CNC(=O)/C=C/c1ccc(O)c(O)c1 1633486003 YCDNFWSGZPZDFK-HWKANZROSA-N 275.268 -0.049 10 10 CBCE CNS(=O)(=O)CCN(C)C(=O)Cc1ccc(N)cc1 1963385783 ZQHALBBEMFQQIR-UHFFFAOYSA-N 285.369 -0.181 10 10 CBCE CCS(=O)(=O)C[C@](C)(NCCCN=[N+]=[N-])C(N)=O 2051022225 KRBVVKGWKXOVDQ-VIFPVBQESA-N 277.350 -0.045 10 10 CBCE CCON(C(=O)c1cc(O)nc(O)c1)C1CNC1 2054544495 XBQQWJLYGCKHQW-UHFFFAOYSA-N 253.258 -0.142 10 10 CBCE Nc1ccc(NC(=O)NCC(O)(CO)CO)cc1 2071563622 LONFGZCKXHMJCV-UHFFFAOYSA-N 255.274 -0.894 10 10 CBCE CN(C[C@@H](O)CN)C(=O)CCc1ccc(N)cc1 2071687894 XCOXYXBECVQIGO-LBPRGKRZSA-N 251.330 -0.021 10 10 CBCE C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)c1c(O)cccc1O 2121364267 NKHQOBACINOGMR-VAOFZXAKSA-N 287.337 -0.094 10 10 CBCE COCCNCCNC(=O)c1cc(O)c(O)c(O)c1 2132400961 QPISKWKSELBHDE-UHFFFAOYSA-N 270.285 -0.231 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2161356222 DKKQSCAKCAMBGY-CWSCBRNRSA-N 277.324 -0.169 10 10 CBCE O=C(NCCN1CCOC1=O)c1cc(O)c(O)c(O)c1 2188921661 CKFYFIKQOGRPEQ-UHFFFAOYSA-N 282.252 -0.015 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@H]21 2201310971 KPORANXNCINUKT-GDNZZTSVSA-N 295.364 -0.238 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC)cc1N 2225692771 BJTMPNRMCAPJBZ-AGIUHOORSA-N 268.313 -0.166 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2225800325 QKEJHAXQMQRBSK-JGVFFNPUSA-N 290.349 -0.270 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H]3[C@@H](O)CO)cc21 2286214244 OXLRJVOAZCKMPR-WCFLWFBJSA-N 277.324 -0.405 10 10 CBCE O=C(CN1CCc2cc(O)c(O)cc2C1)NCCO 2341195269 FENQIBKIUMWYDD-UHFFFAOYSA-N 266.297 -0.436 10 10 CBCE NOCCS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341198767 RDULJWFTUCMQSV-UHFFFAOYSA-N 288.325 -0.324 10 10 CBCE NC(=O)[C@H]1CCN(C[C@@H](O)COc2ccc(N)cc2)C1 236279318 FIUWQWVSRIZIEK-CMPLNLGQSA-N 279.340 -0.184 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)C[C@@H]1CO 698139154 SKNPDBXUUALYOC-SFYZADRCSA-N 254.242 -0.940 10 10 CBCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@@H]1COC[C@@H]1O 709342803 FJPUDOJPZSGAEQ-MNOVXSKESA-N 279.296 -0.204 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CC[S@](=O)C3)c2n1 2062045465 DAWCCJMTXOGLPN-SQFXPLBJSA-N 294.336 -0.006 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1COCC[C@@H]1N 2071696589 ZVIVVGQLOJODOB-WCBMZHEXSA-N 250.302 -0.104 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1OC 2204557113 LWVIWMXZURKQQP-MBNYWOFBSA-N 282.340 -0.683 10 10 CBCE NC(=O)c1cnc(Sc2nnnn2CC(=O)O)s1 2218532836 WSVUXYIFBIMGMZ-UHFFFAOYSA-N 286.298 -0.536 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 2233862435 JJZCSBBOWAYMOQ-JFUSQASVSA-N 283.280 -0.710 10 10 CBCE CSc1ncc(CNC[C@@H]2NC[C@@H](O)[C@@H]2O)s1 2248730303 WULQWSJWPXWIEB-DJLDLDEBSA-N 275.399 -0.352 10 10 CBCE OC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2332916879 WJPRJFRZJAYSAT-XDQVBPFNSA-N 265.309 -0.431 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1F 2332924683 RQBSXUFDILGYOO-LNLATYFQSA-N 274.267 -0.674 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)[C@H]2COC[C@H]21 2356974697 AKCWHQCEISKZAN-VAOFZXAKSA-N 281.264 -0.365 10 10 CBCE NC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1 125942231 KLQKTPSOQOLCAQ-MRVPVSSYSA-N 252.270 -0.103 10 10 CBCE CNS(=O)(=O)CCNC(=O)c1ccc(O)c(O)c1 222182684 BSAZPCHPUJJZSG-UHFFFAOYSA-N 274.298 -0.623 10 10 CBCE COC[C@H](CO)NC(=O)COc1ccc(N)cc1 228841269 BRDLQVYUDPPSJN-JTQLQIEISA-N 254.286 -0.229 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)C[C@@H]1CO 698125259 CTBJMKIZKKTXRT-RKDXNWHRSA-N 253.254 -0.335 10 10 CBCE CC(=O)C(=O)COC(=O)CN(C)CC(=O)NC(C)C 808549831 SSDLSUGHKFFAQI-UHFFFAOYSA-N 272.301 -0.856 10 10 CBCE CN(C)c1ccc([C@@H](N)CNC(=O)CC(N)=O)cc1 843297070 FJNSIBYHMZOYFP-NSHDSACASA-N 264.329 -0.256 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COCC[C@H]2N)cc1 1876469056 XNOSTLJOZLXGQT-NEPJUHHUSA-N 285.369 -0.196 10 10 CBCE [N-]=[N+]=NC1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1912163817 OHEYIFUAGTYQHD-UHFFFAOYSA-N 266.261 -0.161 10 10 CBCE COC[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2031070363 MDMHJYPDEYUBKN-SECBINFHSA-N 254.286 -0.270 10 10 CBCE O=C(N[C@@]1(CF)CCNC1)c1cc(O)nc(O)c1 2040512380 ZKUTZXRFCYOESG-LLVKDONJSA-N 255.249 -0.076 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1COC[C@@H]1O 2097833669 FDTKCEKTGVVQKM-CABZTGNLSA-N 267.281 -0.236 10 10 CBCE Oc1c(F)cc(F)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2108826148 SNWRISYNRDUZDG-LLHIFLOGSA-N 275.251 -0.385 10 10 CBCE CC(C)(O)[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2131445467 AMYOYDOMKBVPSE-NSHDSACASA-N 268.313 -0.145 10 10 CBCE COC[C@@H](O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132348859 UMYYWSLNFHKKEI-QMMMGPOBSA-N 271.269 -0.117 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(F)c1F 2183628277 XKHFYSOFEXPWKV-JOYOIKCWSA-N 286.278 -0.266 10 10 CBCE CN(CCN)CCN(C)C(=O)c1cc(O)c(O)c(O)c1 2188925653 XNWRGHQFQFADEA-UHFFFAOYSA-N 283.328 -0.234 10 10 CBCE NC(=O)C1[C@H]2CN(CC(=O)c3ccc(O)c(O)c3)C[C@H]12 2201291872 CAHSDZBNJLFFJY-IUCAKERBSA-N 276.292 -0.056 10 10 CBCE Nc1ccc(CCN2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2273711161 VNAQVPMGVJMTLC-FPMFFAJLSA-N 266.341 -0.543 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NCc2nc[nH]n2)cc1 70490691 HPWFIULPXGGRBR-UHFFFAOYSA-N 297.340 -0.115 10 10 CBCE CNC(=O)[C@@H](CO)NC(=O)Cc1ccc(N)cc1 108262987 PHSOBFDSMJPHKA-SNVBAGLBSA-N 251.286 -0.966 10 10 CBCE NC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 125942439 KLQKTPSOQOLCAQ-QMMMGPOBSA-N 252.270 -0.103 10 10 CBCE NC(=O)[C@H]1COCCN1CC(=O)c1ccc(O)c(O)c1 158992143 IXFDZUZKFMYNCK-SECBINFHSA-N 280.280 -0.533 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CO[C@@H]3CNC[C@@H]23)cc1 1876489490 RCXOMHISQFEQJX-YNEHKIRRSA-N 261.325 -0.086 10 10 CBCE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1912183628 RRKIXGDLSNTALG-MRVPVSSYSA-N 273.318 -0.069 10 10 CBCE C[C@@H](NCC(O)(CO)CO)c1ccc(O)cc1O 1913799499 QIFNDBNRHFNFPH-MRVPVSSYSA-N 257.286 -0.536 10 10 CBCE COc1ccc(N2CC(S(N)(=O)=O)C2)c(N)c1 1915002037 UHIFNOGXAJHELK-UHFFFAOYSA-N 257.315 -0.246 10 10 CBCE C[C@H](O)[C@@H](CO)NCc1cc2c(cc1O)OCO2 2053800481 PMNMZXIHMCRQML-IONNQARKSA-N 255.270 -0.048 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC2(N)COC2)cc1 2071696520 YTIWIXPQFKLQCF-UHFFFAOYSA-N 271.342 -0.584 10 10 CBCE NC(=O)COC1CN(C(=O)c2cccc(O)c2O)C1 2089139865 QGXPSPIWOGPZIJ-UHFFFAOYSA-N 266.253 -0.576 10 10 CBCE NCc1cc(F)c(N(CC(N)=O)CC(N)=O)cc1Cl 2120881997 RSNOHLDOWNMVHN-UHFFFAOYSA-N 288.710 -0.285 10 10 CBCE O=C1NC[C@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)N1 2177692614 YYXYLQHKTQIKQM-LBPRGKRZSA-N 278.268 -0.610 10 10 CBCE Cn1cnc(CN(CC(N)=O)Cc2ccc(N)cc2)n1 2197715084 MMBWEMXFYFWTEC-UHFFFAOYSA-N 274.328 -0.115 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1C 2219693896 FQNGFAWVIACQAT-NTZNESFSSA-N 253.298 -0.094 10 10 CBCE COc1cc(N2CC([C@H](O)CO)C2)ccc1CO 2315275857 GRFYBMVNVVCOLL-GFCCVEGCSA-N 253.298 -0.023 10 10 CBCE C[C@H](O)[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1O 83512644 ZKHGWHAGIYETRZ-QUBYGPBYSA-N 269.257 -0.375 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCOC[C@H]3CO)ccc21 253076744 RNDBXPBRRIKRMF-SKDRFNHKSA-N 263.297 -0.164 10 10 CBCE CS(=O)(=O)NCC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 691683450 CFKYLNQDBJSJGY-SSDOTTSWSA-N 261.307 -0.163 10 10 CBCE O=C(NC[C@@H]1C[C@H](C(=O)O)CO1)c1cc(O)nc(O)c1 713953371 HOFKBCSUEYPOGJ-YUMQZZPRSA-N 282.252 -0.288 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(O)CCOC1 1636520663 BTZCIEHDASLECA-ZDUSSCGKSA-N 267.281 -0.092 10 10 CBCE C[C@H](Oc1ccc(N)cc1)C(=O)N[C@H](CO)C(=O)O 1860082963 ZKDLLUHBSSMBBV-OIBJUYFYSA-N 268.269 -0.402 10 10 CBCE NC[C@H]1C[C@@H](O)CN1c1cc2c(cc1N)OCCO2 1876549229 MZYSAEGDUQPQOI-RKDXNWHRSA-N 265.313 -0.062 10 10 CBCE C[C@@H](N)[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1 2056844429 MKCFTPFBIKUEQU-RDDDGLTNSA-N 254.286 -0.535 10 10 CBCE Nc1c[nH][nH]c1=NC(=O)c1cc(O)c(O)c(O)c1 2068624755 SGRKKRNZMPBVCQ-UHFFFAOYSA-N 250.214 -0.217 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Cl)c1 2081010354 VJIOTECPNMTINN-GRYCIOLGSA-N 272.732 -0.299 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]1[C@H](O)CO 2123157974 OLHBSHVNMZNHCM-DTWKUNHWSA-N 268.269 -0.549 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1C 2184131831 MRDJSJSCEFEKHR-GFCCVEGCSA-N 276.340 -0.495 10 10 CBCE CN(C)/C=C1\C(=N)N=C(N2CCN(C)CC2)NC1=O 100904842 AFFMCDJPLCVODO-CMDGGOBGSA-N 264.333 -0.858 10 10 CBCE COc1ccc([C@H](C)NC[C@@H](O)C(N)=O)c(O)c1 228629442 LHKLAWPZSBSZLV-WRWORJQWSA-N 254.286 -0.102 10 10 CBCE COCC1(O)CN(C(=O)c2cccc(O)c2O)C1 384087107 UUIRIELVSJVVDB-UHFFFAOYSA-N 253.254 -0.069 10 10 CBCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC(O)(CO)C1 854673691 KTEOFQUNHVWHBR-DUXPYHPUSA-N 265.265 -0.323 10 10 CBCE Cc1ccc(O)c(CNC(=O)C[C@@H]2NC(=O)NC2=O)c1 862757986 LCAGAYNYEPHYDB-VIFPVBQESA-N 277.280 -0.085 10 10 CBCE NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc(O)c2O)O1 1622786963 GIIJXMOZBULYQF-XVKPBYJWSA-N 280.280 -0.140 10 10 CBCE COC[C@](O)(CO)CNCc1ccc(O)c(O)c1 2040782681 SHTMKCRBPXLYGE-GFCCVEGCSA-N 257.286 -0.443 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Cl 2081008071 DYTSCFGDCUQNMI-GRYCIOLGSA-N 272.732 -0.299 10 10 CBCE Cc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2084066367 ZSNXPFFRXIPQSR-GWNIPJSYSA-N 253.298 -0.355 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@H]2COC[C@@H]21 2102177815 OKUWDSQQSSPAGW-CIUDSAMLSA-N 266.253 -0.676 10 10 CBCE O=C1NC(=O)[C@H](C2CN(c3ccc(CO)cc3)C2)N1 2128532255 XJUMMUATQNHYJW-NSHDSACASA-N 261.281 -0.177 10 10 CBCE Nc1cc2c(cc1N1CC[C@H](O)[C@H](O)C1)OCCO2 2132138342 SQPYTKRYDGBSON-WDEREUQCSA-N 266.297 -0.028 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2136346274 YOEUVVBIOLFSTA-NHCYSSNCSA-N 274.267 -0.674 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN(CCCO)CC1 2169928372 SINUGHSICDOESZ-UHFFFAOYSA-N 281.312 -0.367 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@H](CO)[C@@H](N)C2)cc1 2191630743 DVRCPGKHKGDYBZ-YPMHNXCESA-N 299.396 -0.260 10 10 CBCE N=c1nnc(OC[C@@H]2C[C@H]3CCCC[C@@H]3N2)n[nH]1 2223872802 BJELJOSXTBXOJY-VGMNWLOBSA-N 250.306 -0.021 10 10 CBCE N=c1nnc(OC[C@@H]2Cc3ccccc3CN2)n[nH]1 2279033468 ODCKBLSYQRZCTK-JTQLQIEISA-N 258.285 -0.228 10 10 CBCE N[C@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@H](CO)C3)ccc21 2289403882 KOUWZAGQLZSJMX-FBUXBERBSA-N 278.352 -0.217 10 10 CBCE COc1ccc(N2CC([C@@H](O)CO)C2)c(CN)c1 2315157950 AEZDCSYHTSERPN-ZDUSSCGKSA-N 252.314 -0.057 10 10 CBCE CC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1F)C(N)=O 1178413885 ZRYUXLVEBYMMAZ-JTQLQIEISA-N 297.286 -0.472 10 10 CBCE COC(=O)C1(O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1643300828 UQCDEJIFCZCSHC-UHFFFAOYSA-N 281.264 -0.613 10 10 CBCE Nc1ccc(CN2CCN(C(=O)C(=O)O)CC2)cc1 1891801546 FDSXFZMZLJTZKP-UHFFFAOYSA-N 263.297 -0.002 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCNC[C@H](O)C1 1971083492 IQHULIZUKBWLMF-JTQLQIEISA-N 266.297 -0.567 10 10 CBCE COC[C@@H](NCc1cc(OC)ccc1O)C(N)=O 2034941448 QOIBARYJJFHVLF-SNVBAGLBSA-N 254.286 -0.009 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H](O)[C@H](O)C1 2068405611 HDMLVFAKUSHRCO-MWLCHTKSSA-N 253.254 -0.335 10 10 CBCE O=c1c2c(ccn1CCN1CCOCC1)CCNC2 2094407056 MMPQQTWMBHWIRQ-UHFFFAOYSA-N 263.341 -0.174 10 10 CBCE C[C@H](O)CN(C[C@@H](C)O)C(=O)c1cc(O)nc(O)c1 2103484567 NBEISTNKSXAHNB-OCAPTIKFSA-N 270.285 -0.303 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188922203 FMPQXQWKQKQUFR-XRWULPTJSA-N 280.280 -0.352 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](CO)[C@H](N)C2)cc1 2191721246 VMDAFZMFDXDSIR-ZWNOBZJWSA-N 279.340 -0.184 10 10 CBCE NCCc1nnc(NC(=O)c2cc(O)c(O)c(O)c2)o1 2203640419 PVOHJNGZVKHRDC-UHFFFAOYSA-N 280.240 -0.060 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@H](N)CC(N)=O 37823791 AQASOZLPLDQHEH-SECBINFHSA-N 251.286 -0.447 10 10 CBCE C[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459818 XDKYEPSOBPTWNA-CBAPKCEASA-N 254.286 -0.535 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCC(=O)N2)cc1 79925970 VMJJYDOXPAYEGA-NSHDSACASA-N 283.353 -0.033 10 10 CBCE CC1(C)OC(=O)C(=CN[C@@H](CC(=O)O)C(=O)O)C(=O)O1 100804530 LGZXAFSLCQIYQH-LURJTMIESA-N 287.224 -0.776 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc(N)cc1 103475801 GJASVFGDRISFJE-KOLCDFICSA-N 279.296 -0.905 10 10 CBCE Nc1ccc(OCCNC(=O)[C@@H]2CNC(=O)C2)cc1 134902472 QKESTEZDURLTGM-VIFPVBQESA-N 263.297 -0.100 10 10 CBCE COC(=O)[C@H](O)CNC(=O)Cc1ccc(N)cc1 227201845 VJXIYPSLUVDHHD-SNVBAGLBSA-N 252.270 -0.539 10 10 CBCE COc1cc(Cl)cc(CNC(CO)(CO)CO)c1O 234799218 GNGGZYNEKZXFPT-UHFFFAOYSA-N 291.731 -0.141 10 10 CBCE COCC1(O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 383955541 DGCIDLNDJCQROC-UHFFFAOYSA-N 286.353 -0.208 10 10 CBCE COc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(N)c1 386674811 PBBKLVSNSUQNRL-IUCAKERBSA-N 261.281 -0.014 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@H]2CNC[C@@H]21 686546758 WMAOCYJBFDKEMX-IUCAKERBSA-N 265.269 -0.694 10 10 CBCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(O)c(O)c1 697270140 NROJKNSJOPZMKU-JOYOIKCWSA-N 287.337 -0.001 10 10 CBCE C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 698126213 DYQJIZVXFBHWPC-PELKAZGASA-N 268.269 -0.549 10 10 CBCE Nc1ccc(OC[C@H](O)CN(CCO)C2COC2)cc1 1915544545 NIPSMIGHGLSQAK-CYBMUJFWSA-N 282.340 -0.298 10 10 CBCE Nc1ccc(CC(=O)NC[C@@H]2COC[C@H]2O)cc1 2036563511 DGGGEFKWJBAZLL-ZYHUDNBSSA-N 250.298 -0.065 10 10 CBCE O=C(NCc1ccccc1O)[C@H]1CNC[C@H](O)C1 2037837505 SSQQKRXVSGGJFL-GHMZBOCLSA-N 250.298 -0.021 10 10 CBCE NC(=O)NCCCNCc1ccc(O)c(O)c1O 2048904794 BNZPGJCEBBPWOW-UHFFFAOYSA-N 255.274 -0.049 10 10 CBCE COC[C@H]1CNCCN1C(=O)c1cc(O)nc(O)c1 2088492902 VQXVUEMEJKPCQK-SECBINFHSA-N 267.285 -0.447 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1(C(=O)O)COC1 2097190082 DGFKXWJYGPCVRA-UHFFFAOYSA-N 267.237 -0.390 10 10 CBCE O=C1CN(C(=O)c2cc(O)nc(O)c2)[C@H]2CC[C@H]2N1 2112063421 WUSVRCKVDRVAKZ-SFYZADRCSA-N 263.253 -0.404 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2NC[C@H](O)[C@@H]2O)c1O 2139759747 ZFMXPKHPIVNDKN-UMNHJUIQSA-N 266.297 -0.990 10 10 CBCE NC(=O)COC1CN(C(=O)CCc2ccc(N)cc2)C1 2145371345 LXCLJWINCUTXLS-UHFFFAOYSA-N 277.324 -0.086 10 10 CBCE C[C@H]1COC[C@@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 2168279872 ZPAFPUSWXZPBQB-XPUUQOCRSA-N 282.252 -0.193 10 10 CBCE Nc1ccc(OCCN2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2183626760 LAIIIZRDCIFAND-STQMWFEESA-N 280.324 -0.546 10 10 CBCE O=C1NCC2(CN(c3ccc(CO)c([N+](=O)[O-])c3)C2)N1 2188578959 ZFIRMOJVYRZVKW-UHFFFAOYSA-N 278.268 -0.041 10 10 CBCE CO[C@@H]1CN[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188918511 FRGNACJBGLWAHC-IUCAKERBSA-N 282.296 -0.090 10 10 CBCE CNCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2201035463 QOONOVKDHAHJEO-MDZLAQPJSA-N 288.294 -0.413 10 10 CBCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1cccn(C)c1=O 2224781429 HFZPVARAISJWQY-GXSJLCMTSA-N 263.297 -0.634 10 10 CBCE CO[C@@H]1CN(CC(=O)N(C)c2ccc(N)cc2)C[C@H]1O 396040245 VCEXKQHNJIJEKL-CHWSQXEVSA-N 279.340 -0.077 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@H](CO)C1 396809758 QDRBYBBMIXNSDK-IUCAKERBSA-N 268.269 -0.692 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@H](O)C[C@H]2CO)cc1 698140853 UEABJBQQHOFQFY-NWDGAFQWSA-N 280.324 -0.008 10 10 CBCE CONC(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1 1598521376 PRXRWRFFQLVRLM-HYXAFXHYSA-N 266.253 -0.095 10 10 CBCE CC(C)([C@H](NCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2001811792 RVCITGIUJKXKOB-ZCFIWIBFSA-N 263.323 -0.437 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)cc1 2046487490 CVHFNANCZRYDNO-UTUOFQBUSA-N 250.298 -0.188 10 10 CBCE Nc1ccc(CCN2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2081015154 AQUVAYXANPTDHQ-AVGNSLFASA-N 252.314 -0.790 10 10 CBCE Nc1ccc(CC(=O)NC[C@@H]2CCS(=O)(=O)N2)cc1 2089998555 LEMSPRFLXMHRRM-NSHDSACASA-N 283.353 -0.381 10 10 CBCE COCCNC(=O)N(CC(N)=O)Cc1ccc(N)cc1 2173097752 WXSRHAYXNUUAMU-UHFFFAOYSA-N 280.328 -0.088 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC4(CNC(=O)C4)C3)ccc21 2176158096 NSZGVVQRUZMERJ-GFCCVEGCSA-N 272.308 -0.035 10 10 CBCE CO[C@H]1[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C[C@H]1O 2271142823 CPAIGMOEDIIXEG-OIVXANJASA-N 269.253 -0.319 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(N)c1 2273712812 ZAHYQFTUAJJUAX-AQUOVQTQSA-N 268.313 -0.572 10 10 CBCE CS(=O)(=O)[C@H]1CC[C@](NCCN=[N+]=[N-])(C(N)=O)C1 2314915461 VZRFDHHBXXSCPP-IONNQARKSA-N 275.334 -0.293 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNC(=O)CC2)cc1 59971182 BXYGVEBMCNZQFW-UHFFFAOYSA-N 283.353 -0.080 10 10 CBCE CN(C(=O)CN1CCOC[C@@H]1C(N)=O)c1ccc(N)cc1 158834738 VQVNDLWGMXJFOG-GFCCVEGCSA-N 292.339 -0.582 10 10 CBCE Nc1ccc(CC(=O)NCC[C@H](O)C(=O)O)cc1 236350174 RWXJIBHLAGDOAG-JTQLQIEISA-N 252.270 -0.237 10 10 CBCE O=C(O)C[C@@H](O)CNC(=O)c1cc(O)nc(O)c1 398401027 IHASHMBVBXMOKU-ZCFIWIBFSA-N 256.214 -0.942 10 10 CBCE CC(=O)C(=O)COC(=O)CCCNC(=O)C1CC1 808503675 SNYWGOJTONPBRG-UHFFFAOYSA-N 255.270 -0.006 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1Cc2cccc(O)c2C1 871205217 RUNRGYOUSFTPIT-UHFFFAOYSA-N 299.352 -0.370 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CCn3nnnc3C2)cc1 1875666365 JLMMIBSWQRCRQS-LLVKDONJSA-N 272.312 -0.071 10 10 CBCE Cn1c(=O)ccn(CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)c1=O 1912160509 XBLDABNJPCJOQP-MRVPVSSYSA-N 278.272 -0.542 10 10 CBCE NCCn1cnc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1 2049784920 SNLDNANAJOCGOK-KYZUINATSA-N 250.302 -0.279 10 10 CBCE Nc1cc2c(cc1N1CC3(CNC(=O)N3)C1)OCCO2 2177696574 TVMQECMAMSYNPR-UHFFFAOYSA-N 276.296 -0.088 10 10 CBCE O=C(NCC[C@@H]1COC[C@@H]1O)c1cc(O)c(O)c(O)c1 2188867600 DDBIIDOQSKMSHQ-HQJQHLMTSA-N 283.280 -0.069 10 10 CBCE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1c(N)cccc1C(N)=O 2192673295 DFCYHVLQDUOLAU-NXEZZACHSA-N 298.368 -0.835 10 10 CBCE CS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2213585474 OCQOMIHOACYNIB-RQJHMYQMSA-N 261.307 -0.117 10 10 CBCE CN[C@H](COc1nnc(=N)[nH]n1)Cc1ccccc1 2278974624 BQYGHBQJJUVXSD-JTQLQIEISA-N 260.301 -0.111 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H](N)CS(C)(=O)=O 2335436321 USNMZWVKTQSMPT-JTQLQIEISA-N 286.353 -0.278 10 10 CBCE C[C@@H](c1ccccc1O)N(C)C(=O)C(N)(CO)CO 2344088699 HOKCNCPSMPERIL-VIFPVBQESA-N 268.313 -0.406 10 10 CBCE NCc1ccc(N(CC(N)=O)CC(N)=O)c(F)c1 61804220 FPKLZZZRXHFTKE-UHFFFAOYSA-N 254.265 -0.939 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@](O)(CO)C3)cc21 313672379 AXJHJCFXNPPNSF-GXTWGEPZSA-N 277.324 -0.404 10 10 CBCE N#Cc1cc(CN)ccc1N1C[C@H]2C(=O)NC(=O)[C@@H]2C1 387082679 ZRYJRMQYCRAKDV-GHMZBOCLSA-N 270.292 -0.274 10 10 CBCE CN1CCN(C(=O)c2cccc(O)c2O)C[C@H]1CN 687611770 HLLMPRHEWIILBL-SECBINFHSA-N 265.313 -0.187 10 10 CBCE C[C@H](ONC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 709069668 SNKHNKNYDATJDW-XPUUQOCRSA-N 284.268 -0.512 10 10 CBCE O=C1C[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1 1148589716 IKYPTHLNYYLHQR-LURJTMIESA-N 266.253 -0.331 10 10 CBCE O=C1CN(CC(=O)NCc2cccc(O)c2O)CCN1 1471642129 KYHZMWVGRVMLKM-UHFFFAOYSA-N 279.296 -0.854 10 10 CBCE O=C(NCCN1CC[C@@H](O)C1)c1cc(O)c(O)c(O)c1 1865876214 XFRWZTDGNFCDPE-SECBINFHSA-N 282.296 -0.400 10 10 CBCE Nc1cc2c(cc1N1C[C@H]3[C@@H](N)[C@H]3C1)NC(=O)CO2 1876302519 KMRSLZCFYLBSAJ-OAWJNEAYSA-N 260.297 -0.007 10 10 CBCE Nc1ccc(CCC(=O)NC2(C(=O)O)CNC2)cc1 1876437929 PACRIHFPEQFMHS-UHFFFAOYSA-N 263.297 -0.256 10 10 CBCE C[C@@H]([C@@](C)(NCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2004028156 VGVYPOSPYYDLGF-POYBYMJQSA-N 263.323 -0.437 10 10 CBCE NC[C@@H]1COC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2036604011 YDQHZHNJLDMJHP-SFYZADRCSA-N 253.258 -0.804 10 10 CBCE O=C(N[C@@H]1C[C@@H](O)C[C@@H]1O)c1ccc(O)c(O)c1 2046405951 OJKRAHXPOIXDHO-MRTMQBJTSA-N 253.254 -0.288 10 10 CBCE CNC1(C(N)=O)CN(c2ccc(OC)cc2N)C1 2071659865 ICIOLADPAJELKZ-UHFFFAOYSA-N 250.302 -0.459 10 10 CBCE CN1C[C@H](O)[C@H](NCc2cc3c(cc2O)OCO3)C1 2090333505 JSVTUFJEHLONAK-KOLCDFICSA-N 266.297 -0.115 10 10 CBCE O=C1CN(Cc2ccc(O)cc2O)[C@@H](C(=O)O)CN1 2136361863 LRJIVSLYRXUDAS-SECBINFHSA-N 266.253 -0.517 10 10 CBCE N[C@@H]1C(=O)NC[C@@H]1c1nc(-c2ccc(O)c(O)c2)no1 2144406538 PHNCYEZMYVMDTR-RCOVLWMOSA-N 276.252 -0.312 10 10 CBCE Cn1c(NCc2cc(N)ccc2O)cc(=O)n(C)c1=O 2145085309 KQXDCINBPKHOIQ-UHFFFAOYSA-N 276.296 -0.016 10 10 CBCE NC(=O)[C@@H]1CNC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2151063259 HMJHDDKYXYVDEW-IUCAKERBSA-N 279.296 -0.709 10 10 CBCE NCc1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1F 2178039311 DLIRMGYCSFLJNH-CYBMUJFWSA-N 283.347 -0.240 10 10 CBCE C[C@H](C(=O)O)N1CC(NC(=O)c2ccc(O)c(O)c2)C1 2188306645 ANTMCDHIJQQYGG-SSDOTTSWSA-N 280.280 -0.015 10 10 CBCE NC[C@H]1COCCN1c1cc2c(cc1N)OCC(=O)N2 2191557777 CCIUKMARSWFFCG-QMMMGPOBSA-N 278.312 -0.236 10 10 CBCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1 2312319436 QHMXBJNOCHDSSN-RWMBFGLXSA-N 253.298 -0.264 10 10 CBCE NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459016 UJHZHCRWZSXGKU-VHSXEESVSA-N 293.323 -0.556 10 10 CBCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 251575272 JFPJOKGVDKYGJS-PWSUYJOCSA-N 288.307 -0.120 10 10 CBCE CNC(=O)CN(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 723182846 PBHMCZPFJROFSN-LBPRGKRZSA-N 262.313 -0.155 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N(CCO)C3COC3)cc21 1915664981 VAIDGZJBWKMJEW-ZDUSSCGKSA-N 278.308 -0.106 10 10 CBCE CN1[C@H](CNC(=O)Cc2ccc(N)cc2)CCS1(=O)=O 1967091343 BTNFOMHFACWRRG-LBPRGKRZSA-N 297.380 -0.039 10 10 CBCE CON(CCN)S(=O)(=O)Cc1ccc(N)cc1 2016999783 LWIGUBHLUJLTTE-UHFFFAOYSA-N 259.331 -0.079 10 10 CBCE N[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCOC1 2091746811 HCJVDVPBIMXOPD-ZDUSSCGKSA-N 266.297 -0.126 10 10 CBCE COC[C@H](CO)NC(=O)c1cc(OC)nc(OC)c1 2110634421 JYEFCNFZWSEHSX-VIFPVBQESA-N 270.285 -0.164 10 10 CBCE CN(C[C@@]1(O)CCOC1)C(=O)c1cc(O)nc(O)c1 2129445902 RFTPJSQCBYJULI-LBPRGKRZSA-N 268.269 -0.284 10 10 CBCE CN(C)[C@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1O 2146138460 PSDVSUQCMQUQOL-STQMWFEESA-N 278.356 -0.186 10 10 CBCE O=C(N=c1cc2n([nH]1)CCNC2)c1cc(O)nc(O)c1 2149139727 QRRMTQSPHAHKEQ-UHFFFAOYSA-N 275.268 -0.533 10 10 CBCE CN1CCN(C)[C@@H](C(=O)NCc2cc(N)ccc2O)C1 2155756383 FOUUXEQBNZVOPO-GFCCVEGCSA-N 278.356 -0.164 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NC(=O)CCc1ccc(N)cc1 2174100210 JSPZRJZJYZAFDL-YPMHNXCESA-N 277.324 -0.040 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H]2CCNC[C@@H]21 2185550995 STANFNLVQOPJQJ-VHSXEESVSA-N 279.296 -0.304 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OC)cc1CN 2235963753 PBADJGXQLZIVAY-MGPQQGTHSA-N 282.340 -0.289 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1F 2273652274 WYSXSSYDKLMBHC-JIMOISOXSA-N 270.304 -0.565 10 10 CBCE CNC[C@]1(O)CCCN(C(=O)c2cc(O)nc(O)c2)C1 2286346601 XYGQQZRQWJVYPK-CYBMUJFWSA-N 281.312 -0.321 10 10 CBCE C[C@@H](NC(=O)[C@@H]1NC[C@@H](O)[C@H]1O)c1ccccc1O 2332934667 OEJOHRVANKWBNC-FAQVLOEFSA-N 266.297 -0.737 10 10 CBCE CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(N)=O 379306459 VBIUMIKRXWFUQJ-DTWKUNHWSA-N 281.312 -0.652 10 10 CBCE CC(=O)C(=O)COC(=O)CCn1c(C)cc(O)cc1=O 808525197 VTMRGYKEPQAANC-UHFFFAOYSA-N 281.264 -0.046 10 10 CBCE O=C(O)CNC(=O)CCN1C(=O)CSC1=S 1865764856 DIALBTHBNUAWCH-UHFFFAOYSA-N 262.312 -0.562 10 10 CBCE O=C(NC1(CO)COC1)c1cc(O)c(O)c(O)c1 2068965446 YVOOOHZZSXCCNE-UHFFFAOYSA-N 255.226 -0.706 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COC[C@@H]2N)cc1 2071694358 IHGAPFORMXSYCY-WDEREUQCSA-N 251.286 -0.510 10 10 CBCE O=C1C[C@H](C(=O)O)N(C(=O)c2ccc(O)c(O)c2)N1 2088093941 XUEMMYBXUOHVSP-ZCFIWIBFSA-N 266.209 -0.572 10 10 CBCE CN1CCc2cc([C@H](Cn3cnnn3)NN)ccc21 2106862235 RKOVNSSHDGDGAX-NSHDSACASA-N 259.317 -0.130 10 10 CBCE O=C(O)COC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188867967 JYDJPMONNVQBPZ-UHFFFAOYSA-N 283.236 -0.271 10 10 CBCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@@H](O)C1 2220408226 GMXYQIWFURFRTJ-STQMWFEESA-N 252.314 -0.044 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1F 2273652273 WYSXSSYDKLMBHC-ICCXJUOJSA-N 270.304 -0.565 10 10 CBCE COC(=O)[C@@H](O)CN1CCc2cc(O)c(O)cc2C1 2341197557 LAGCLUGFKBILPQ-LBPRGKRZSA-N 267.281 -0.010 10 10 CBCE NCCN1CCN(C(=O)c2cc(O)nc(O)c2)CC1 170223227 JLXPMCUMWCUUAK-UHFFFAOYSA-N 266.301 -0.791 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@H]1CO)OCCO2 704727210 KOLAEYAFOYBSAC-IUCAKERBSA-N 266.297 -0.028 10 10 CBCE Nc1ccc(CC(=O)NCC2(CO)COC2)cc1 717627324 VNZQXPFZHDVKHY-UHFFFAOYSA-N 250.298 -0.064 10 10 CBCE Nc1n[nH]c(CCNC(=O)c2cccc(O)c2O)n1 1629230329 ILLOSHPQSZPLIY-UHFFFAOYSA-N 263.257 -0.229 10 10 CBCE COC(=O)[C@]1(O)CCN(C(=O)c2cccc(O)c2O)C1 1643516675 OZUWDZTZJZGFNJ-ZDUSSCGKSA-N 281.264 -0.152 10 10 CBCE NC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(O)cccc2O)O1 1645363394 TVJMEOBUVKFPMU-WDEREUQCSA-N 280.280 -0.253 10 10 CBCE NCCN(CCN)c1cc2c(cc1N)NC(=O)CC2 1876215722 PRSKHGDBHWNCHI-UHFFFAOYSA-N 263.345 -0.123 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2C[C@@H]2N)cc1 1876406533 QATJWIALUJYYRZ-CABZTGNLSA-N 285.369 -0.086 10 10 CBCE CO[C@H](CN)C(=O)NCCc1ccc(O)c(O)c1 2031068494 CSXHIFMHMKHVJH-LLVKDONJSA-N 254.286 -0.270 10 10 CBCE CC1(C)CNC(=O)CN1C(=O)c1cc(O)nc(O)c1 2119101187 OCRBKPVSTIHHME-UHFFFAOYSA-N 265.269 -0.157 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1C 2136342376 NMEKBUUNEXUPNJ-IHRRRGAJSA-N 266.341 -0.383 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@H](O)[C@H](O)C2)cc1 2188671435 DMFLNSZKGGIJJV-QWHCGFSZSA-N 280.324 -0.008 10 10 CBCE NC(=O)[C@@H]1CNCCN1c1cc2c(cc1N)OCCO2 2191558359 GOLPCIHZGJWFAU-JTQLQIEISA-N 278.312 -0.697 10 10 CBCE C[C@@H](O)CN(CCN)C(=O)c1ccc(O)c(O)c1 2257629220 VQIJKDIIAFTIMM-MRVPVSSYSA-N 254.286 -0.121 10 10 CBCE C[C@@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCNC1=O 2273257350 SLGRZILHYBOVSZ-GFCCVEGCSA-N 266.253 -0.188 10 10 CBCE Nc1ccc(CC(=O)N[C@H](CCO)C(=O)O)cc1 40699456 STJXRRZKBNAFOK-SNVBAGLBSA-N 252.270 -0.237 10 10 CBCE C[C@@H]1C(=O)NCCN1c1cc2c(cc1N)OCC(=O)N2 110658149 IMKGKEFNSBIWLQ-SSDOTTSWSA-N 276.296 -0.076 10 10 CBCE C[C@]1(CO)C[C@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2O 698203864 HAJYJLNMAYUQPU-DUFXMDAXSA-N 278.308 -0.006 10 10 CBCE C[C@@H](O)[C@H](O)CNC(=O)COc1ccc(N)cc1 717362974 BWBJIOLCFCREGB-LDYMZIIASA-N 254.286 -0.495 10 10 CBCE CC(=O)C(=O)COC(=O)c1cc(O)nc(N(C)C)n1 808544454 CPLPSIZRBVXVSF-UHFFFAOYSA-N 267.241 -0.437 10 10 CBCE CC1(C(N)=O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1299893741 YDQFKEKWHLTEKQ-UHFFFAOYSA-N 264.281 -0.026 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](O)C1 1642402632 ZHSWDXCYSZJHHU-CABZTGNLSA-N 267.281 -0.548 10 10 CBCE Nc1ccc(CO[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 1924871813 HAPPHKWARQDSGS-WDEREUQCSA-N 257.311 -0.057 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CC3)C1 2038244157 CIQCNRFADAISTG-NXEZZACHSA-N 250.306 -0.103 10 10 CBCE COC1(CN)CN(C(=O)c2ccc(O)c(O)c2)C1 2039556684 UYSAFQZLSWDELN-UHFFFAOYSA-N 252.270 -0.103 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1COC[C@H]1O 2087722150 HQTBWHQZDPCKDG-JOYOIKCWSA-N 267.281 -0.142 10 10 CBCE O=C1NCCN1CCNCc1ccc(O)c(O)c1O 2090616345 DTKAJEFPWHFRIM-UHFFFAOYSA-N 267.285 -0.082 10 10 CBCE COc1nc(=N)[nH]c(=NCCc2ccc(N)cc2)[nH]1 2117369548 QVKPMQPUFPLIDL-UHFFFAOYSA-N 260.301 -0.049 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NC(=O)c1ccc(O)c(O)c1 2117486136 GETLMVKVTWOHLX-XCBNKYQSSA-N 266.253 -0.530 10 10 CBCE O=C(NCc1nnc(O)o1)c1cc(O)c(O)c(O)c1 2136519571 LBOCJHGKWSZVHB-UHFFFAOYSA-N 267.197 -0.178 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 2171198769 CFZKYICQRYONOV-SNVBAGLBSA-N 277.280 -0.479 10 10 CBCE NC(=O)NCC1CN(CC(=O)Nc2ccc(N)cc2)C1 2187289638 RRUKHNOBDOFPGO-UHFFFAOYSA-N 277.328 -0.193 10 10 CBCE CO[C@@H](CN)CNS(=O)(=O)Cc1ccc(N)cc1 2317604496 BASLLFMMMZLMTL-NSHDSACASA-N 273.358 -0.338 10 10 CBCE CSc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1CN 2353852065 QTLUNGSRYDTYPN-NTZNESFSSA-N 284.381 -0.230 10 10 CBCE [N-]=[N+]=NCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1 231732417 QVYIDHJWUSZUTH-UHFFFAOYSA-N 252.234 -0.117 10 10 CBCE Cn1nnnc1COC(=O)COc1ccc(N)cc1 698185321 VJEAHKBHNKDGFR-UHFFFAOYSA-N 263.257 -0.086 10 10 CBCE CNCc1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 703584584 SXJWZNLBZCPANF-TXEJJXNPSA-N 276.340 -0.571 10 10 CBCE C[C@@H](NS(C)(=O)=O)C(=O)NCc1cc(O)ccc1O 1153885354 MGRLFWAMKWTZGT-SSDOTTSWSA-N 288.325 -0.348 10 10 CBCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@@H]1CCNC1=O 1916779966 LJWKUOFEDWTSKI-SECBINFHSA-N 276.296 -0.076 10 10 CBCE O=S1(=O)CC[C@H](CNCc2ccc(O)cc2O)N1 2029512355 WWUKEHUBPOODOF-SECBINFHSA-N 272.326 -0.121 10 10 CBCE COC1(C(N)=O)CN(c2ccc(CN)cc2F)C1 2042980125 CJSRGFSZQIIQQG-UHFFFAOYSA-N 253.277 -0.025 10 10 CBCE C[C@H](O)[C@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2068620583 IQJGPTLSCADWHQ-CAHLUQPWSA-N 256.258 -0.759 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COC[C@@H]1CO 2090318071 MPGGVMLOXDBSTD-UWVGGRQHSA-N 267.281 -0.236 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2COC[C@H]2O)cc1 2097835058 PQEGQBYVALJVPM-BXKDBHETSA-N 266.297 -0.229 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2104420975 GHGXOTZFOOKJPU-KYAGDKKUSA-N 266.253 -0.941 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1O 2136289516 XNYUOBIBPNXKCZ-SLTJONPZSA-N 269.297 -0.652 10 10 CBCE O=C(O)[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 2144031065 VRJPOAGRGCBSPW-VIFPVBQESA-N 281.264 -0.048 10 10 CBCE NC(=O)[C@@H]1CN(Cc2c(O)cccc2F)C[C@@H]1C(N)=O 2160775945 IBOUOFNWGNERKB-OCAPTIKFSA-N 281.287 -0.450 10 10 CBCE O=C1Nc2cc(N3CCC[C@@H]3[C@H](O)CO)ccc2[C@H]1O 2179743322 ONRHAWNOJGROBB-JHJVBQTASA-N 278.308 -0.006 10 10 CBCE C[C@@H](O)[C@H]1CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2182241388 QDJXVCMEKMQWBG-DVVUODLYSA-N 280.324 -0.051 10 10 CBCE O=C(O)C1=C[C@@H](O)[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2188067830 VGDXYYBAZZWTLS-JGVFFNPUSA-N 280.236 -0.633 10 10 CBCE CO[C@H]1C[C@@H](CN)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188913485 SEMMKBZDTXENDN-IUCAKERBSA-N 282.296 -0.008 10 10 CBCE CN(Nc1nc([C@@H](N)C(=O)O)cs1)S(C)(=O)=O 2301555499 RCRBAWYEGJHJJC-RXMQYKEDSA-N 280.331 -0.554 10 10 CBCE Nc1cc2c(cc1N(CCO)CCO)NC(=O)CO2 40694608 QYAVNUIGCMCNKK-UHFFFAOYSA-N 267.285 -0.609 10 10 CBCE [N-]=[N+]=NCCCN[C@H](C(=O)O)c1cn(CCO)nn1 90637914 BGLYWFOCABNTJU-QMMMGPOBSA-N 269.265 -0.314 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCOC[C@H]1C(N)=O 251565399 SEVFJRPMQVEWGI-CABZTGNLSA-N 292.339 -0.218 10 10 CBCE O=C1Nc2cc(N3C[C@@H](CO)[C@@H](CO)C3)ccc2[C@@H]1O 704451104 IBQHSBNHHZBLHS-RWEMILLDSA-N 278.308 -0.291 10 10 CBCE C[C@@H](O)[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1642587761 GMEODABEYRYNBO-HQJQHLMTSA-N 255.270 -0.502 10 10 CBCE CN(C)c1ccc(C=CC(=O)NC[C@H](O)C(N)=O)cc1 1912093936 CKUXEOVXRUXJKN-LBPRGKRZSA-N 277.324 -0.272 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1CO 2080937768 HXBTWWPGYIHELZ-RWMBFGLXSA-N 253.298 -0.610 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 2132169283 WZSLZXDVKLAUEZ-RYUDHWBXSA-N 266.297 -0.398 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@@H](CO)C1 2132348411 LBVNOSCCPOWQLL-XCBNKYQSSA-N 269.253 -0.771 10 10 CBCE Cc1ccc(O)c(CNCC2(O)CS(=O)(=O)C2)c1 2256074123 NVUKXSCSPUZVIT-UHFFFAOYSA-N 271.338 -0.050 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2COC[C@H]1CC(O)C2 2285743061 FFOYBNHZOPZCHO-RKDXNWHRSA-N 280.280 -0.143 10 10 CBCE N[C@H](CCO)C(=O)N1CCc2cc(O)c(O)cc2C1 2341197358 KVLFOKBNWLTSBJ-SNVBAGLBSA-N 266.297 -0.308 10 10 CBCE CO[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 19477563 AIYNLASENYDCBO-SFYZADRCSA-N 282.252 -0.193 10 10 CBCE CNC(=O)[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 42560475 VBYAGIAYGXPJLD-QMMMGPOBSA-N 271.342 -0.177 10 10 CBCE CN1CC[C@@H](NC(=O)COc2ccc(N)cc2)C1=O 230197794 UGMBITHTOQKCQW-LLVKDONJSA-N 263.297 -0.006 10 10 CBCE Cc1nn(CC(=O)NCc2ccc(O)cc2O)c(=O)n1C 1630301656 FWNJOVRGUMSGKU-UHFFFAOYSA-N 292.295 -0.382 10 10 CBCE O=C(O)CCNC(=O)CCN1C(=O)CSC1=S 1865765007 LKDKMCYNHRHKPJ-UHFFFAOYSA-N 276.339 -0.172 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c(O)c1 2046513939 JSISNXDOHCXIBW-NUGNTBJXSA-N 255.270 -0.958 10 10 CBCE COC[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2068578525 SNPXXVXAALDFQK-ZETCQYMHSA-N 257.242 -0.460 10 10 CBCE CN(C)c1nc(=N)[nH]c(=NCc2ccc(N)cc2)[nH]1 2117257476 MRMOSLIXXIMQCT-UHFFFAOYSA-N 259.317 -0.034 10 10 CBCE CC(C)(NC(=O)c1cc(O)nc(O)c1)[C@@H](O)C(=O)O 2120347205 OWSKQBBWSZFMNW-QMMMGPOBSA-N 270.241 -0.553 10 10 CBCE COc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1 2165122094 LMMKWXYIFZGLCV-IXKSQABHSA-N 283.324 -0.094 10 10 CBCE O=C(O)[C@H]1CCOCCN1C(=O)c1cc(O)nc(O)c1 2285323038 HHBYKRBYEGKHAH-MRVPVSSYSA-N 282.252 -0.192 10 10 CBCE O=C1Nc2cc(N3CC(O)(CCO)C3)c(F)cc2[C@H]1O 2286193870 WKXAUQNYMRCOKA-LLVKDONJSA-N 282.271 -0.255 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)[C@@H](O)[C@H]1CF 2333239130 KFAATIUUPQSYJQ-ZOFUNIGCSA-N 271.244 -0.387 10 10 CBCE C[C@@H](N)[C@@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2341198463 NTBNRZKTPLHAJZ-JMCQJSRRSA-N 266.297 -0.309 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC[C@@H](O)CCO)cc1 2351739027 DONBPTZZKXWNEE-GFCCVEGCSA-N 288.369 -0.178 10 10 CBCE COC(=O)C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 133525365 MXQRZXZOBIEONT-VIFPVBQESA-N 296.279 -0.103 10 10 CBCE COC(=O)[C@H](CO)NC(=O)c1ccc(O)c(O)c1 227016121 BEWJEIAJDFUMAJ-ZETCQYMHSA-N 255.226 -0.639 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 723198961 NGHYYAQCHQKTGY-KPXOXKRLSA-N 276.340 -0.271 10 10 CBCE COCCN1C[C@H](C(=O)OCC(=O)C(C)=O)CC1=O 808501410 OKQZZLDMIZGIHL-SECBINFHSA-N 271.269 -0.817 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)N1CCCO1 1627581201 BAJYCNIQFHNEJO-UHFFFAOYSA-N 280.280 -0.080 10 10 CBCE [N-]=[N+]=NCC1CCN(S(=O)(=O)N2CC(O)C2)CC1 1912161880 OKNRKIUVIDDWIK-UHFFFAOYSA-N 275.334 -0.070 10 10 CBCE CN(C)C[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1968641518 IHBPIIWRJHWNMG-JTQLQIEISA-N 268.313 -0.321 10 10 CBCE CS(=O)(=O)C1([C@@H](NCCN=[N+]=[N-])C(N)=O)CCC1 2047893015 GDZMDNNXISNVMH-ZETCQYMHSA-N 275.334 -0.293 10 10 CBCE C[C@@](N)(CO)CNC(=O)Cc1ccc(O)c(O)c1 2060803788 IGOBXGAPYSSLFG-LBPRGKRZSA-N 254.286 -0.534 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2081009666 PTRUHHNAZRIZEB-WOPDTQHZSA-N 256.277 -0.813 10 10 CBCE O=C1CC2(CN1)CN(C(=O)c1cc(O)nc(O)c1)C2 2119529722 QTZLFHNLYVVHLO-UHFFFAOYSA-N 263.253 -0.545 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1F 2127699707 GGRCDZHVFUCNSY-SNVBAGLBSA-N 266.276 -0.926 10 10 CBCE NC1CC(O)(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2132411404 VATYSSJJSFSTJH-UHFFFAOYSA-N 268.269 -0.615 10 10 CBCE COc1ccc(CN(CC(N)=O)CC(=O)O)c(O)c1 2136335711 BWNBEKUKIJIWNF-UHFFFAOYSA-N 268.269 -0.227 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Cl 2136339492 GWCHZUUHSMXPDN-FRRDWIJNSA-N 286.759 -0.038 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H]4COC[C@H]43)ccc21 2158409576 ONPWKJKXOGRBAE-RYDUCSDGSA-N 275.308 -0.166 10 10 CBCE C[C@H](O)CN(CCN)C(=O)Cc1ccc(N)cc1 2257640520 MFCJHHNRFYYXBW-JTQLQIEISA-N 251.330 -0.021 10 10 CBCE Nc1cc2c(cc1N(CCO)CCO)OCCO2 40694550 GOWNXLFMRXVAEX-UHFFFAOYSA-N 254.286 -0.169 10 10 CBCE NCc1ccc(N2CCOC[C@H]2C(N)=O)c(F)c1 129288509 YYVLFQFLUWFQQU-NSHDSACASA-N 253.277 -0.025 10 10 CBCE Nc1ccc(CCC(=O)N[C@@H](CO)C(=O)O)cc1 134693590 VOAPPDQNPBKHRA-JTQLQIEISA-N 252.270 -0.237 10 10 CBCE NC(=O)CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CCNC1 236253869 PYCWIUSWRRZTQX-VIFPVBQESA-N 279.296 -0.613 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1cccc(O)c1O 253098409 SZARJJFFQQZXNC-VVHZZMTCSA-N 264.281 -0.058 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](CO)[C@@H](O)C1 316229559 UMGYQWSZHDOJLZ-NRUUGDAUSA-N 279.340 -0.119 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 317512187 UXRGMMHNTKNKOA-JOYOIKCWSA-N 266.297 -0.541 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](O)[C@H](CO)C1 396818420 XHRQHIXDVHZNLB-UWVGGRQHSA-N 267.281 -0.087 10 10 CBCE C[C@H](CNCc1ccc(O)cc1O)S(N)(=O)=O 398309266 YLFAUBDLKNFLRN-SSDOTTSWSA-N 260.315 -0.136 10 10 CBCE CN[C@@H](C)c1ccc(N(CC(N)=O)CC(N)=O)cc1 723164298 AOBZXUSROXJLFB-VIFPVBQESA-N 264.329 -0.256 10 10 CBCE NC(=O)N[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723173630 MFMUKWYINFTXLD-RDDDGLTNSA-N 275.312 -0.115 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)C(=O)O 2027475452 SOISYEUNVCCARZ-SECBINFHSA-N 255.226 -0.798 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CNC[C@@H]1O 2027481427 MXNWUCXOWRFGCQ-KWQFWETISA-N 252.270 -0.911 10 10 CBCE COc1ccc(O)c([C@H](C)NCCNS(N)(=O)=O)c1 2101343806 SCJQHTTVYLYKOX-QMMMGPOBSA-N 289.357 -0.156 10 10 CBCE O=C(N[C@H]1CNCC[C@H]1CO)c1ccc(O)c(O)c1 2116269393 MXOPIFTWDFTBRZ-UWVGGRQHSA-N 266.297 -0.202 10 10 CBCE O=C(N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1ccc(O)c(O)c1 2118054620 IYVDLVXMJYKLLV-VROVMSAKSA-N 283.305 -0.129 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2140663922 PRNOCXIDIYHPLW-GMXVVIOVSA-N 268.288 -0.287 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H]4COC[C@H]43)ccc21 2158409577 ONPWKJKXOGRBAE-XEZLXBQYSA-N 275.308 -0.166 10 10 CBCE NCCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2159506978 QLBPYRQMQZQHOY-SECBINFHSA-N 282.296 -0.051 10 10 CBCE NC(=O)NC1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2188919751 PKNDHORQMOLKPX-UHFFFAOYSA-N 281.268 -0.268 10 10 CBCE COc1cc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)ccc1CN 2204546255 ZMNHAUGTBFESGC-YPMHNXCESA-N 280.324 -0.535 10 10 CBCE N=c1nnc(OC[C@@H]2C[C@H]3CCCC[C@H]3N2)n[nH]1 2223872801 BJELJOSXTBXOJY-HRDYMLBCSA-N 250.306 -0.021 10 10 CBCE C[C@@H](O)[C@@H]1C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2356034822 IOGXKZWIZSWOGC-PXIYARARSA-N 280.324 -0.147 10 10 CBCE Cn1cc([C@H](NC(=O)c2cc(O)nc(O)c2)C(=O)O)cn1 130735229 GUDOULJNMQOZRZ-JTQLQIEISA-N 292.251 -0.218 10 10 CBCE COC(=O)[C@@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 312715217 HTWPMWQPPKBJJU-NSHDSACASA-N 281.312 -0.910 10 10 CBCE C[C@H](CNC(=O)Cc1ccc(N)cc1)S(N)(=O)=O 398226173 GRSLETPIDDYLDT-MRVPVSSYSA-N 271.342 -0.396 10 10 CBCE NOCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 708763481 REKHZFWTBQAHSG-SSDOTTSWSA-N 270.241 -0.900 10 10 CBCE CC(=O)N1CCO[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 934943172 GCEODGYZKHLTAW-ZDUSSCGKSA-N 294.307 -0.039 10 10 CBCE O=C(NCCN1CCNC1=O)c1cccc(O)c1O 1155603731 IJBVHERWSWEJNH-UHFFFAOYSA-N 265.269 -0.147 10 10 CBCE NC[C@@H]1CN(C(=O)COc2ccc(N)cc2)CCO1 1876439407 JNKIGWZBZVHLNQ-GFCCVEGCSA-N 265.313 -0.166 10 10 CBCE Nc1ccc(OCCC(=O)N2CC(S(N)(=O)=O)C2)cc1 1914977133 GRBBBAYPGMLIAQ-UHFFFAOYSA-N 299.352 -0.463 10 10 CBCE C[C@@H](O)[C@H](CO)NCc1cc2c(cc1O)OCO2 2053800476 PMNMZXIHMCRQML-APPZFPTMSA-N 255.270 -0.048 10 10 CBCE CCCn1nnnc1Cn1ccc2c(c1=O)CNCC2 2150798104 QKEZWRCQVNAIJU-UHFFFAOYSA-N 274.328 -0.061 10 10 CBCE N[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1CO 2178904919 AMFHFMSBXSRQJM-GHMZBOCLSA-N 280.324 -0.192 10 10 CBCE O=C(O)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188868572 SXVSVUCECIJMRC-VIFPVBQESA-N 283.236 -0.271 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CN[C@H](CO)[C@@H]2C1 2235557381 ODYJTNBHWOBNEN-IVZWLZJFSA-N 279.296 -0.855 10 10 CBCE Nc1ccc(CC(=O)N2CC(O)(CCO)C2)cc1 2258307257 VFIUZBGVSUBIJW-UHFFFAOYSA-N 250.298 -0.233 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2273692361 FQUQSHTZCADGKW-DTCNJJKHSA-N 266.341 -0.143 10 10 CBCE O=C1CN(CC(=O)c2ccc(O)c(O)c2)CCN1 49934033 LLAFSIJGPATEBJ-UHFFFAOYSA-N 250.254 -0.288 10 10 CBCE CNCc1cc(F)c(N(CC(N)=O)CC(N)=O)c(F)c1 62719212 IEJBOPUYECCXFJ-UHFFFAOYSA-N 286.282 -0.539 10 10 CBCE NC[C@H](O)CN1CCN(c2ccc3c(c2)OCO3)CC1 71630304 KJKLKLJPPDWOAY-LBPRGKRZSA-N 279.340 -0.143 10 10 CBCE COC(=O)C(NCc1ccc(O)cc1O)C(=O)OC 106305282 PRODEWCPBCKNGE-UHFFFAOYSA-N 269.253 -0.098 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NOCC(=O)O 135223959 IIUKTEPJOIMIMJ-ZETCQYMHSA-N 270.241 -0.900 10 10 CBCE COC(=O)NS(=O)(=O)NCCOc1ccc(N)cc1 162772847 RQYZQICYQIECAS-UHFFFAOYSA-N 289.313 -0.162 10 10 CBCE NS(=O)(=O)CCNCc1ccc(O)c(O)c1O 236294989 VGQQWORUEFLLOU-UHFFFAOYSA-N 262.287 -0.819 10 10 CBCE CN(C[C@@H](N)CO)c1ccc2c(c1)N(C)C(=O)CO2 259203346 WZCILCJIRKGBTI-SECBINFHSA-N 265.313 -0.202 10 10 CBCE Nc1ccc(CCNC(=O)C2CS(=O)(=O)C2)cc1 876527866 GGDCLQMVZXASGT-UHFFFAOYSA-N 268.338 -0.028 10 10 CBCE COc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@H]2O)c1 895684245 JLUXSMXOMNQWJK-ZYHUDNBSSA-N 287.337 -0.352 10 10 CBCE NCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2029659314 GVMYIVZPLSECSJ-STQMWFEESA-N 252.314 -0.296 10 10 CBCE CN(CC(=N)NO)C(=O)c1cc(O)c(O)c(O)c1 2068617646 KNASSVNCFUZJEJ-UHFFFAOYSA-N 255.230 -0.169 10 10 CBCE CN(C[C@@H](O)CN)C(=O)c1cc(O)c(O)c(O)c1 2068624655 RKLMSBCIHFOWAS-ZETCQYMHSA-N 256.258 -0.805 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2136297095 WJPRJFRZJAYSAT-YIYPIFLZSA-N 265.309 -0.431 10 10 CBCE CN(C)CCNCC(=O)NCCc1ccc(O)c(O)c1 2148017826 ZCIMIGPFHZXDPC-UHFFFAOYSA-N 281.356 -0.092 10 10 CBCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@@H]2CO)c1 2201050844 AZTROZUMWGGDFB-UBHSHLNASA-N 281.308 -0.507 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3OC[C@@H](CO)O[C@@H]3C2)c1 2279883113 RRDGFPWXBOGOKG-KWCYVHTRSA-N 280.324 -0.065 10 10 CBCE Nc1nonc1C(=O)NCc1cccc(O)c1O 83382060 HIQNENFHBKPLLY-UHFFFAOYSA-N 250.214 -0.007 10 10 CBCE CNCCCNC(=O)[C@@H](N)c1cc(O)ccc1O 83395690 ZSSNKXHAAQSUJS-NSHDSACASA-N 253.302 -0.177 10 10 CBCE NC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 165580534 TWPKHQHYRACJFG-MRVPVSSYSA-N 253.258 -0.708 10 10 CBCE C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(O)nc(O)c1 168433649 MWWQRYMYORHWPF-CBAPKCEASA-N 268.269 -0.285 10 10 CBCE Nc1ccc(OCC(=O)N2CCC[C@](O)(CO)C2)cc1 313651608 KNKTXQWVJSVVKX-CQSZACIVSA-N 280.324 -0.007 10 10 CBCE NC(=O)CC1CN(C[C@H](O)COc2ccc(N)cc2)C1 382069041 FDPSSUQQEDOCMW-LBPRGKRZSA-N 279.340 -0.184 10 10 CBCE CS(=O)(=O)NC1CN(CC(=O)Nc2ccc(N)cc2)C1 703028792 SRMPBOOGGFSAJK-UHFFFAOYSA-N 298.368 -0.559 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)c2cc(O)cs2)C1 1328311199 MBBOACSFFCHDTA-JTQLQIEISA-N 256.283 -0.484 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2COCCN2)cc1 1876408577 JIIJVLUFXDCZGA-LBPRGKRZSA-N 285.369 -0.323 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](CO)C[C@H]1CO 2089869944 JKLPXLSTKPIYGB-BDAKNGLRSA-N 267.281 -0.087 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O 2121473579 IVOCSDQTCNHUEO-RBJBARPLSA-N 269.297 -0.710 10 10 CBCE Cc1cc(N2CC3(C2)OC[C@@H](O)[C@H]3O)ccc1CO 2127264052 LITJCFIHWMBEJF-CHWSQXEVSA-N 265.309 -0.202 10 10 CBCE Cn1cc(S(=O)(=O)NCCOc2ccc(N)cc2)nn1 2144446372 NPUJRDXJMGMWQN-UHFFFAOYSA-N 297.340 -0.245 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](CO)C[C@@H]2CO)cc1 2146079525 JEJLMMMUOWMGIX-GXFFZTMASA-N 279.340 -0.118 10 10 CBCE O=C(CN1C[C@H](O)[C@H]2COC[C@H]21)c1ccc(O)c(O)c1 2158386132 IPVGOWMMZYBNOL-RBZYPMLTSA-N 279.292 -0.028 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@H](O)CN1 2279260420 DPMLBLFOBGAPTL-QWRGUYRKSA-N 280.324 -0.131 10 10 CBCE CS(=O)(=O)CS(=O)(=O)NCCc1ccc(N)cc1 129948503 WUXAFRSSTRRPMB-UHFFFAOYSA-N 292.382 -0.267 10 10 CBCE O=C1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C(=O)N1 227041572 HDZVYVOUGQOKLM-ZETCQYMHSA-N 264.237 -0.367 10 10 CBCE NC(=O)NCCNC(=O)[C@@H]1CNc2ccccc2N1 229883797 NGRPMZSSWANYLY-JTQLQIEISA-N 263.301 -0.323 10 10 CBCE C[C@@H]1CN([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 504657120 UZMZEOFNOSIBIL-CWKFCGSDSA-N 269.261 -0.040 10 10 CBCE CCOC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(N)cc1 1865956629 AYMYRKHLDCZCNT-NSHDSACASA-N 293.323 -0.265 10 10 CBCE CN(C)c1ccc(CNCC(O)(CO)CO)cc1 1913789874 OIPXYTDPEZMRDS-UHFFFAOYSA-N 254.330 -0.442 10 10 CBCE OCC(O)(CO)CNCc1cc(Cl)ccc1O 1913798407 ALZADMMXZKSPRB-UHFFFAOYSA-N 261.705 -0.149 10 10 CBCE N[C@@H](CC(=O)O)C(=O)NCCc1ccc(O)c(O)c1 1962724791 OWNNAKRKJQDNLF-QMMMGPOBSA-N 268.269 -0.442 10 10 CBCE O=C(NCCC1(O)CNC1)c1cccc(O)c1O 2027275545 KZTATVXVZXRDHL-UHFFFAOYSA-N 252.270 -0.448 10 10 CBCE NCC1(CNC(=O)c2ccc(O)c(O)c2)COC1 2056740027 HROGRKZRQZBLMK-UHFFFAOYSA-N 252.270 -0.197 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 2123488066 HGKVACSXSKWTCC-RKDXNWHRSA-N 268.269 -0.285 10 10 CBCE Oc1cc2c(cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O)OCO2 2165123586 PAMWFWJIUZZKAV-SEBFSPHVSA-N 283.280 -0.935 10 10 CBCE COc1cc(C(=O)N[C@H]2CNCCOC2)cc(OC)n1 2166940517 KPVFKHBRQVWHEE-JTQLQIEISA-N 281.312 -0.183 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@]1(O)CCOC1 2169654209 LJTIXSGKBQEDQR-CQSZACIVSA-N 279.340 -0.293 10 10 CBCE Nc1ccc(NC(=O)N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2183652474 WNAHWECQGUWHMD-GHMZBOCLSA-N 279.296 -0.393 10 10 CBCE N[C@@H]1CC(C(=O)N2CC(=O)Nc3ccccc32)=C[C@H]1O 2188020772 LNNBIDUGLTYLRT-BXKDBHETSA-N 273.292 -0.010 10 10 CBCE O=C1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2CC[C@H]2N1 2188916610 QPKDFJFEQQSYCZ-HTQZYQBOSA-N 278.264 -0.094 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1COC[C@H]1F 2191531787 NOOSCODYXZUNQO-UTLUCORTSA-N 284.287 -0.179 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@@H]1NC(=O)c1ccc(O)c(O)c1 2258690486 ZZHWLFNKQXLBPX-SWPVVBRQSA-N 253.254 -0.024 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]1[C@H](O)CO 2270717459 YLZUVBGSESZIKR-JOYOIKCWSA-N 267.281 -0.406 10 10 CBCE [N-]=[N+]=N[C@H]1CCN([C@@H]2CC(CO)(CO)C[C@H]2O)C1 2312061138 RNLCSOLYCURTHN-IVZWLZJFSA-N 256.306 -0.135 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1C 2332923184 NMEKBUUNEXUPNJ-MCIONIFRSA-N 266.341 -0.383 10 10 CBCE NC(=O)COCCN1CCc2cc(O)c(O)cc2C1 2341208329 FXJREDZRPPWUHE-UHFFFAOYSA-N 266.297 -0.042 10 10 CBCE Nc1ccc(OCC(=O)N2CCCNC(=O)C2)cc1 87883201 QPQILMZLAOFINP-UHFFFAOYSA-N 263.297 -0.004 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 97292587 GRZMMYHINYONGK-UPONEAKYSA-N 274.280 -0.510 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CCNC(=O)C3)ccc21 102453112 VSVCRIBHERDNNS-GFCCVEGCSA-N 260.297 -0.165 10 10 CBCE COC[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 228893805 RVTMCHZPRYPZPU-NSHDSACASA-N 274.342 -0.305 10 10 CBCE NC(=O)CN(CCn1cncn1)Cc1ccc(N)cc1 381849369 JORQLAUVNCQLIH-UHFFFAOYSA-N 274.328 -0.152 10 10 CBCE CN(C(=O)CN(C)[C@H]1COC[C@@H]1O)c1ccc(N)cc1 709258402 NMPMPHGIDPQUMJ-STQMWFEESA-N 279.340 -0.077 10 10 CBCE C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)S(N)(=O)=O 1636525882 NABGDCDRGMIGOD-SSDOTTSWSA-N 288.325 -0.567 10 10 CBCE CO[C@H]1C[C@@](CO)(NC(=O)c2cc(O)nc(O)c2)C1 1898191403 MXWCDBOFVIYIEV-LYWQIFSTSA-N 268.269 -0.238 10 10 CBCE CN(CCCN=[N+]=[N-])S(=O)(=O)CCS(C)(=O)=O 1912210227 GSFSTCPVMIXTQC-UHFFFAOYSA-N 284.363 -0.007 10 10 CBCE NC(=O)[C@@H]1C[C@@H](N)CN(Cc2ccc(O)c(O)c2)C1 2094661433 DSRNOLVJCCUVOF-NXEZZACHSA-N 265.313 -0.268 10 10 CBCE O=C(NC1(c2nn[nH]n2)CC1)c1cc(O)nc(O)c1 2094668210 FFFSZKBCROWQDX-UHFFFAOYSA-N 262.229 -0.575 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@H](O)[C@H]1CF 2140657468 GHSKHBXEYFQASH-PPKCKEKNSA-N 271.244 -0.387 10 10 CBCE Nc1ccc(OCC(=O)N2CCNC[C@@H]2C(=O)O)cc1 2191724526 SCTNBWUIVFBJDN-LLVKDONJSA-N 279.296 -0.467 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@@H]3[C@H](O)CO)cc21 2286225896 KSBAXSHDNUKXJV-RAIGVLPGSA-N 278.308 -0.372 10 10 CBCE O=C(CN1CC([C@@H](O)CO)C1)c1ccc(O)c(O)c1 2336781872 ZWIUIAFYUHJPBB-ZDUSSCGKSA-N 267.281 -0.435 10 10 CBCE C[C@@H](N)CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486860 AWXUSWPGICMKDU-APPZFPTMSA-N 282.296 -0.053 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@H]1CCC(=O)N1 312222996 FHRGQZLXLQXZNZ-LBPRGKRZSA-N 276.340 -0.165 10 10 CBCE NC(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 393265989 WFZXBFPNVODVQC-LLVKDONJSA-N 298.368 -0.159 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1C(=O)O 687292330 IXJLWBYCJFUOLD-MRVPVSSYSA-N 281.268 -0.666 10 10 CBCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1nnn(C)n1 697215740 PBZUOQYAYCXPHD-LURJTMIESA-N 254.254 -0.286 10 10 CBCE CN(CCc1nn[nH]n1)S(=O)(=O)Cc1ccc(N)cc1 707594175 ONQRURUQLZOGPI-UHFFFAOYSA-N 296.356 -0.214 10 10 CBCE CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccccc1O)C(N)=O 1471195875 PBOPMMOTQKBCLD-KCJUWKMLSA-N 293.323 -0.051 10 10 CBCE NS(=O)(=O)NCCCNCc1cccc(F)c1O 2039805939 IOSAWWZZLFHKNP-UHFFFAOYSA-N 277.321 -0.196 10 10 CBCE COC[C@@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2092831212 QEMQBPUYGYDYGF-SSDOTTSWSA-N 270.241 -0.288 10 10 CBCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1cn2c(n1)COCC2 2109869704 WAVRYQKANHIMNU-SECBINFHSA-N 265.277 -0.160 10 10 CBCE NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 2118153550 ABTWISHSHASFSV-JGVFFNPUSA-N 266.253 -0.842 10 10 CBCE NCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)cc1F 2166791592 UTFVHEVVCVEXOB-QWRGUYRKSA-N 278.287 -0.912 10 10 CBCE CN(c1ccc(CO)cc1[N+](=O)[O-])[C@@H]1CC(=O)NC1=O 2171193857 XNVNONLLYBQIIZ-SNVBAGLBSA-N 279.252 -0.062 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@H]2N 2184717343 AUUVLTOLMQEUNU-NEPJUHHUSA-N 274.324 -0.577 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCOCC23CNC3)cc1 2191778259 JDUGNYUKZTXIKF-UHFFFAOYSA-N 297.380 -0.227 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2273671414 FGXUQWCANCUNLL-XBFCOCLRSA-N 267.325 -0.362 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(=O)NC(=O)C3)cc21 131405809 IBJZFKDDZJSVJT-GFCCVEGCSA-N 274.280 -0.874 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN(CCO)CC1 226954374 LGLPTMGLGPYNID-UHFFFAOYSA-N 266.297 -0.152 10 10 CBCE O=C(N[C@H](CCO)C(=O)O)c1ccc(O)c(O)c1 236496837 BMDHTCJPMZMNGJ-SSDOTTSWSA-N 255.226 -0.337 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CC(=O)N2CCCC[C@H]21 305988221 NSKHTCCFVOJMJX-KWQFWETISA-N 266.305 -0.105 10 10 CBCE NC(=O)[C@@]1(O)CCN(CCCOc2ccc(N)cc2)C1 380493589 MYWSOMZBQGZRHD-CQSZACIVSA-N 279.340 -0.040 10 10 CBCE COCC1(O)CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C1 384092660 CEPINJJPEFTNFV-GFCCVEGCSA-N 277.324 -0.140 10 10 CBCE CS(=O)(=O)N1CC[C@H](Nc2c(N)cccc2C(N)=O)C1 400178701 GAARWRDPAOXRTN-QMMMGPOBSA-N 298.368 -0.187 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCNC2=O)cc1 693871763 YPNFOEPMWVKOMZ-LLVKDONJSA-N 299.352 -0.545 10 10 CBCE C[C@H](C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 711161201 NAKZBDUUURPNQT-APPZFPTMSA-N 281.312 -0.700 10 10 CBCE CONS(=O)(=O)[C-]1C(C)=C=S=C1C(=O)O 725451052 LYEIWIGGSMWVMR-UHFFFAOYSA-N 250.277 -0.650 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2COC[C@H]2N)cc1 1876456595 PFKWTZRDMCMFBE-NEPJUHHUSA-N 265.313 -0.120 10 10 CBCE Oc1cccc(F)c1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046510718 GXDZHTNUUDDTHW-SASUGWTJSA-N 257.261 -0.524 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2104420972 GHGXOTZFOOKJPU-GUHGHRINSA-N 266.253 -0.941 10 10 CBCE Nc1cc2c(cc1N1CC(O)(CO)C1)NC(=O)CO2 2115304916 CIWTVNJJWUMBTK-UHFFFAOYSA-N 265.269 -0.857 10 10 CBCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1nn[nH]n1 2132349036 XJZJQNYIWMDIBS-SCSAIBSYSA-N 265.229 -0.193 10 10 CBCE O=C(NCCN1CCCNCC1)c1cc(O)nc(O)c1 2168300060 QATNSOXNABMFMK-UHFFFAOYSA-N 280.328 -0.482 10 10 CBCE Nc1ccc(CC(=O)NCC2CN(CC(=O)O)C2)cc1 2169278522 LXSRYDSTOWHKKI-UHFFFAOYSA-N 277.324 -0.056 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@]2(O)CCCNC2)cc1 2201298975 MTXPRQBGHOENIQ-CQSZACIVSA-N 279.340 -0.122 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2COC[C@]2(CO)C1 2234582410 HMUXTWKNDHKYDR-TVQRCGJNSA-N 280.280 -0.426 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c1 2308772474 CKJUBMVWXYLHPY-ZDAZMGEQSA-N 250.298 -0.100 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@@H]4COC[C@@H]43)ccc21 2354368928 ONPWKJKXOGRBAE-MGAJPHDKSA-N 275.308 -0.166 10 10 CBCE COc1ccc(N2CCN(C[C@@H](N)C(N)=O)CC2)cc1 59531344 KBQCDLMTTRIRFA-CYBMUJFWSA-N 278.356 -0.370 10 10 CBCE COc1ccc(CNC(=O)[C@H](N)[C@H](C)O)c(O)c1 83398198 OSECSPNWUWTSCB-WRWORJQWSA-N 254.286 -0.275 10 10 CBCE CN(C(=O)CN1C[C@H](O)[C@@H](CO)C1)c1ccc(N)cc1 316045506 FXGBERRGUDBOAV-MFKMUULPSA-N 279.340 -0.483 10 10 CBCE CN(C)S(=O)(=O)CC(=O)NCc1c(O)cccc1O 1647270633 VJLWXVUEFZLZQN-UHFFFAOYSA-N 288.325 -0.395 10 10 CBCE CO[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1N 1876495721 SJNYWDIVHKAPSG-NEPJUHHUSA-N 265.313 -0.168 10 10 CBCE NCC1(CNS(=O)(=O)Cc2ccc(N)cc2)COC1 1876537184 PFUVIKDAGHEIST-UHFFFAOYSA-N 285.369 -0.337 10 10 CBCE CN1C(C)(C)[C@](NCCN=[N+]=[N-])(C(N)=O)CS1(=O)=O 1912156384 MDEYLMKRHMATII-SECBINFHSA-N 290.349 -0.836 10 10 CBCE COC[C@@](O)(CO)CNCc1ccc(O)cc1O 2040782459 RDUGBOCGXKCQLK-LBPRGKRZSA-N 257.286 -0.443 10 10 CBCE CS(=O)(=O)C1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2095962028 AGBXRPWVOKGPDT-NSHDSACASA-N 282.321 -0.095 10 10 CBCE N[C@@H]1C[C@H](O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132412254 BJFKBDIIPPARMB-SFYZADRCSA-N 268.269 -0.663 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1N 2132413740 PTZMSGOVZZHXFQ-OIBJUYFYSA-N 268.269 -0.399 10 10 CBCE O[C@H]1COC2(CN(c3ccc4c(c3)CC[C@H]4O)C2)[C@H]1O 2184738120 PSEGFHVYDUSQHU-RDBSUJKOSA-N 277.320 -0.023 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1(CCO)CC1 2192668904 WTYXYIATQSMHDT-JTQLQIEISA-N 280.324 -0.001 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4N)C[C@H]21 2201293117 JKQIUDGSUMYMOJ-SPFNVWMYSA-N 272.308 -0.194 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCOC1CNC1 2208674121 VUCHTPQLWUJUFG-UHFFFAOYSA-N 266.297 -0.255 10 10 CBCE OCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2218686466 WKHPTZWBKKDULE-CHWSQXEVSA-N 253.298 -0.527 10 10 CBCE CC(CO)(CO)C(=O)NCCc1ccc(N)cc1 2253635451 UCQGQQSANMDHEQ-UHFFFAOYSA-N 252.314 -0.082 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Cl)c1 2273671856 JSRQMBDAZGHRFX-XDTLVQLUSA-N 287.743 -0.017 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CNC[C@@H]1F 2320520494 IGUYUPFYIWLBIF-JGVFFNPUSA-N 255.249 -0.125 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1C(=O)Cc1ccc(N)cc1 97289808 JGHOVMUAUCMPBU-MRVPVSSYSA-N 261.281 -0.315 10 10 CBCE NC[C@H]1COCCN1C(=O)c1cccc(O)c1O 126844784 NRSPTZSKWJUREQ-QMMMGPOBSA-N 252.270 -0.103 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 167864870 CDPONZWKJZMNMF-CQSZACIVSA-N 288.307 -0.378 10 10 CBCE Nc1ccc(OCC(=O)NCCn2ncnn2)cc1 379799822 MGGKHNXIQJVYQY-UHFFFAOYSA-N 262.273 -0.550 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@](O)(C(=O)O)C1 386722381 AMSOADRGJIIYQI-LBPRGKRZSA-N 267.237 -0.241 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2cccc(F)c2O)C1 895685546 UZAQIDNFXBFDKI-NXEZZACHSA-N 275.301 -0.221 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1NCCNC1=O 1877518528 VQURDPQCBORPMC-LLVKDONJSA-N 263.297 -0.561 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CNCCOC1 1971147514 VTTHIYJEJVUNCV-NSHDSACASA-N 280.324 -0.008 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNOC2)cc1 2016968906 DMKJYTOIJNMXEH-SNVBAGLBSA-N 257.315 -0.408 10 10 CBCE CNC[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 2027482567 PIGQCUGUAUZWDB-SECBINFHSA-N 254.286 -0.663 10 10 CBCE CS(=O)(=O)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2095962027 AGBXRPWVOKGPDT-LLVKDONJSA-N 282.321 -0.095 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@H]1NCc1ccc(O)c(O)c1 2142489988 IKKWHSBRLYEFJZ-BXKDBHETSA-N 287.337 -0.001 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](CO)C[C@@H]1CO 2146128347 LWEQSXWZSFSQPG-GHMZBOCLSA-N 281.308 -0.158 10 10 CBCE CN(C(=O)CN1C[C@@H](O)C[C@H](O)C1)c1ccc(N)cc1 2161398114 XUXVFODQXFZXGU-STQMWFEESA-N 279.340 -0.341 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1OC 2226801680 GVVCCOHUPJNCAL-OUJBWJOFSA-N 269.297 -0.394 10 10 CBCE Cc1cc(N2CCNC(=O)[C@H]2C(N)=O)ccc1[C@@H](C)O 2285163617 YTTOUTFNGQCNFY-BXKDBHETSA-N 277.324 -0.162 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1O 2289486813 AFWXHXYOGYUPHG-WBRVRECLSA-N 282.340 -0.438 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2311711556 VJIOTECPNMTINN-TUAOUCFPSA-N 272.732 -0.299 10 10 CBCE Nc1ccc(NC(=O)NC[C@H]2NC[C@@H](O)[C@H]2O)cc1 2333604541 GJZNABVPALUGMO-MXWKQRLJSA-N 266.301 -0.916 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC(=O)NC2CC2)cc1 36782149 VFJANKCUYCIITD-UHFFFAOYSA-N 283.353 -0.033 10 10 CBCE C[C@@H](C(=O)O)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 54071078 ABBJSUIUSZJYEV-CBAPKCEASA-N 282.296 -0.101 10 10 CBCE CCOC(=O)CNC(=O)[C@@H](N)c1ccc(O)c(O)c1 83496886 VXASPTXHISFPMH-NSHDSACASA-N 268.269 -0.223 10 10 CBCE CCNC(=O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 228380655 FXIOYAMYVMIEGR-JTQLQIEISA-N 295.339 -0.390 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@H]3CO)ccc2[C@@H]1O 698130843 SHDIPTHPKZJOBN-SBMIAAHKSA-N 264.281 -0.396 10 10 CBCE NC(=O)c1nccnc1C(=O)NCc1cc(O)ccc1O 1644752566 KSCSTHVGVONEGU-UHFFFAOYSA-N 288.263 -0.083 10 10 CBCE [N-]=[N+]=NCCOCCOCCOCCNC(=O)CON 1857792203 XAZLOCGDVCWCCY-UHFFFAOYSA-N 291.308 -0.647 10 10 CBCE C[C@H](O)[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 2053807353 ZYRRTDRVXBEOSG-GZMMTYOYSA-N 274.342 -0.570 10 10 CBCE O=C(O)COC1CN(C(=O)c2cc(O)nc(O)c2)C1 2088563035 WVBYDIVOHFRVNU-UHFFFAOYSA-N 268.225 -0.582 10 10 CBCE CN1CCc2cc([C@H](NN)c3nnn(C)n3)ccc21 2106869064 BKTQVEGQTYSFTB-NSHDSACASA-N 259.317 -0.245 10 10 CBCE C[C@](O)(CO)CN(CC(N)=O)Cc1ccc(N)cc1 2111790049 PCSGDAYDLXUETH-CYBMUJFWSA-N 267.329 -0.701 10 10 CBCE NC(=O)C1[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]12 2136570244 HMMSLRCDCNNTDU-HTQZYQBOSA-N 262.265 -0.099 10 10 CBCE CNC(=O)[C@@H]1CNCCN1c1ccc2c(c1)OCCO2 2162636670 LWHUTSHOKBPKQW-NSHDSACASA-N 277.324 -0.018 10 10 CBCE NC(=O)COC1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188577070 QTXPBZDXZXUOSO-UHFFFAOYSA-N 281.268 -0.222 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2ccc(O)cc2O)C[C@H]1O 2197473433 MHYPHJDCJCOMNN-DGCLKSJQSA-N 283.280 -0.520 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1O 2332921057 YFHIYZBRTYTAAR-ACRHEEIPSA-N 268.313 -0.685 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC(=O)NC(=O)C2)cc1 97267747 JVZBPEJNDVURFL-UHFFFAOYSA-N 283.309 -0.943 10 10 CBCE C[C@H](O)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 125981286 XZZCFGQMQZJPLF-YLWLKBPMSA-N 255.226 -0.338 10 10 CBCE COC(=O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 133507108 GEAVMLLJNFDRRV-QMMMGPOBSA-N 282.252 -0.493 10 10 CBCE C[C@@H]1OCCN(C(=O)c2cc(O)nc(O)c2)[C@H]1C(=O)O 328108440 IPTWMLSMQZVBCE-QUBYGPBYSA-N 282.252 -0.193 10 10 CBCE NC(=O)C1CN(C[C@@H](O)COc2ccc(N)cc2)C1 381969492 OHJKPCZMURNJFL-LLVKDONJSA-N 265.313 -0.574 10 10 CBCE Cn1nnc(CNC(=O)[C@H]2CNc3ccccc3N2)n1 398077971 JGQUDOUZOPJQMG-SNVBAGLBSA-N 273.300 -0.268 10 10 CBCE N[C@H]1C[C@H]2CN(C(=O)c3cccc(O)c3O)CCN2C1 405254790 KCPRRKLUXCTSQN-UWVGGRQHSA-N 277.324 -0.045 10 10 CBCE N=C(NO)[C@H]1COCCN1C(=O)c1cccc(O)c1O 700162283 ZEGLYNQADVAWCT-MRVPVSSYSA-N 281.268 -0.105 10 10 CBCE O=C1NCC[C@H]1C(=O)NCc1cccc(O)c1O 1263894521 KGIVBPVVWWIOFI-MRVPVSSYSA-N 250.254 -0.150 10 10 CBCE O=C(C[C@@H]1CC(=O)N1)NCc1cccc(O)c1O 1263894767 UYXUXWUXAYBNQE-MRVPVSSYSA-N 250.254 -0.007 10 10 CBCE Nc1ccc(CC(=O)N[C@@H](CCC(=O)O)C(O)O)cc1 1865955189 BLWRMIIAEKKPCB-JTQLQIEISA-N 282.296 -0.528 10 10 CBCE Nc1ccc(OCC(=O)N2CCOC[C@@H](N)C2)cc1 1876473872 SGIFSMVZFKMFJK-NSHDSACASA-N 265.313 -0.166 10 10 CBCE COc1ccc(N(C)C[C@@H]2NC[C@H](O)[C@H]2O)cc1 2081018316 NPVXAZYSCPRVCK-AVGNSLFASA-N 252.314 -0.175 10 10 CBCE COC[C@](O)(CO)CNC(=O)c1cccc(O)c1O 2102390366 NPFSUMKPFNSUHN-GFCCVEGCSA-N 271.269 -0.803 10 10 CBCE OCC(CO)(CO)CNCc1ccc2c(c1)CCO2 2123233145 AGZNLEWYMPVXIL-UHFFFAOYSA-N 267.325 -0.326 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN[C@@H]2COC[C@@H]21 2132579022 JJTBUZPFHKCWLA-BDAKNGLRSA-N 265.269 -0.694 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O)c1cccc(O)c1O 2166416110 MEAHLTUNPJZFSW-SYBOOQRQSA-N 279.292 -0.042 10 10 CBCE CN[C@H](C)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2184142277 XXWXFNBMEMUPJJ-BXKDBHETSA-N 276.340 -0.243 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2ccc(O)cc2O)C[C@@H]1O 2197473432 MHYPHJDCJCOMNN-AAEUAGOBSA-N 283.280 -0.520 10 10 CBCE COc1cccc(O)c1CN1C[C@H](O)[C@@H](O)[C@@H]1C(=O)O 2200856931 DMNKAXZMSDGHEF-MVWJERBFSA-N 283.280 -0.609 10 10 CBCE COCC[C@@H](N)CNC(=O)c1cc(O)nc(O)c1 2218568274 BXIVXTPQESWYCA-MRVPVSSYSA-N 255.274 -0.414 10 10 CBCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CO 2232028808 QSTXXHLHNVGECQ-HBEIAFGSSA-N 266.341 -0.083 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC(=O)NC(=O)C3)ccc21 116679973 ZUPDINXOCARHCT-LLVKDONJSA-N 260.253 -0.899 10 10 CBCE CC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169911916 MLDBPOPPHPWIOR-UHFFFAOYSA-N 254.242 -0.331 10 10 CBCE O=C(NCC[C@H](O)C(=O)O)c1cc(O)nc(O)c1 236538386 QJCCBQXGMFCNJZ-LURJTMIESA-N 256.214 -0.942 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC[C@@](O)(CO)C3)ccc21 313725324 KWMSVSINVLJKAR-OCCSQVGLSA-N 277.324 -0.167 10 10 CBCE COCC1(O)CN(C(=O)c2cc(O)nc(O)c2)C1 384062546 LUOWJSGONHNJDE-UHFFFAOYSA-N 254.242 -0.674 10 10 CBCE O=C(N[C@H]1CCCN(CCO)C1)c1cc(O)nc(O)c1 384494087 MURDZUQNGNIXIE-JTQLQIEISA-N 281.312 -0.321 10 10 CBCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1COC[C@H]1O 1297980150 BTGVHMIOMNMREI-GXPIAMGISA-N 265.265 -0.013 10 10 CBCE NC(=O)C1(O)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1648777560 RVBLQVMWIXWBRQ-UHFFFAOYSA-N 298.270 -0.311 10 10 CBCE COc1ccc(O)c(CNCCNS(N)(=O)=O)c1 2039814042 QLNGOAZXAFYBEQ-UHFFFAOYSA-N 275.330 -0.717 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CO[C@@H]3CNC[C@@H]32)C1 2049780766 MVMYMHCYBWJAON-SANCVJEGSA-N 252.314 -0.514 10 10 CBCE Cn1cc([C@@H](N)C(=O)C(=O)C[C@H]2C[C@H](N)C2)nn1 2049780940 OSQIDSZGSKXNNE-BRDIYROLSA-N 251.290 -0.920 10 10 CBCE C[C@H](N)[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1 2056844430 MKCFTPFBIKUEQU-WRWORJQWSA-N 254.286 -0.535 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@](O)(CO)C1 2132349141 ZIDXSQVISXBSFN-LBPRGKRZSA-N 269.253 -0.627 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2136336320 LZCVVIWFPNHQEW-FFAVSVRISA-N 270.304 -0.252 10 10 CBCE C[C@@H](CS(N)(=O)=O)NC(=O)[C@@H]1CNc2ccccc2N1 2152961853 SBGKEJDDPYSUCQ-KWQFWETISA-N 298.368 -0.314 10 10 CBCE O=C(CCNO)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2163549740 ZQFFCLYVMGDFRK-QMMMGPOBSA-N 284.268 -0.421 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2199432873 AHUOOKKBSWYJTF-XFDJCCIKSA-N 280.280 -0.551 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2273671413 FGXUQWCANCUNLL-UBHSHLNASA-N 267.325 -0.362 10 10 CBCE CN[C@@H](COc1nnc(=N)[nH]n1)Cc1ccccc1 2278974629 BQYGHBQJJUVXSD-SNVBAGLBSA-N 260.301 -0.111 10 10 CBCE C[C@@H](NC(=O)[C@@H]1NCC[C@@H](O)[C@H]1O)c1ccccc1O 2357204520 NVXYQZLVFKURPO-HUXSOILUSA-N 280.324 -0.347 10 10 CBCE NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(N)cc1 158742945 OUILBWYBPLAJCF-NSHDSACASA-N 279.296 -0.640 10 10 CBCE Cc1c([N+](=O)[O-])c(N=NN(CCO)CCO)nn1C 254764621 HDZUHLNGXZQERT-UHFFFAOYSA-N 272.265 -0.078 10 10 CBCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 701318604 KRBHUSZKZPUGEQ-SSDOTTSWSA-N 266.261 -0.161 10 10 CBCE NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 707424220 SYBKWPGJGDVYEO-MRVPVSSYSA-N 286.309 -0.399 10 10 CBCE COCCn1ccc(C(=O)OCC(=O)C(C)=O)n1 808539822 IANLHPWHTQIQJM-UHFFFAOYSA-N 254.242 -0.156 10 10 CBCE O=C(N[C@H]1C[C@H](O)[C@H](O)C1)c1cccc(O)c1O 1638747511 ZJFJHPUHCHXRBT-JDBBZGQPSA-N 253.254 -0.288 10 10 CBCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)C1CS(=O)(=O)C1 1912186660 FUQDWRYUQMYBAS-QMMMGPOBSA-N 262.291 -0.226 10 10 CBCE COc1ccc(CN[C@H]2CC(=O)NC2=O)c(O)c1 2034956783 HJWAIABPSUFDHR-VIFPVBQESA-N 250.254 -0.095 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC2COC2)cc1 2046688045 WXYWZIZDVOUECX-UHFFFAOYSA-N 272.326 -0.034 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CO 2080939356 SPGBJKUNKSZCEW-AGIUHOORSA-N 253.298 -0.610 10 10 CBCE CN(C(=O)CN1CC[C@H]1C(N)=O)c1ccc(N)cc1 2089357667 BHCFQNKAQRCPIK-NSHDSACASA-N 262.313 -0.209 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC(OCCO)C3)ccc21 2095969443 FPJLCZYVUXENQI-LBPRGKRZSA-N 263.297 -0.164 10 10 CBCE COc1ccc(CNCCCNS(N)(=O)=O)c(O)c1 2101324189 LTLILUFGWQVLSE-UHFFFAOYSA-N 289.357 -0.326 10 10 CBCE CO[C@H](C(=O)O)C(=O)NCCOc1ccc(N)cc1 2105962505 BHHBMWUHXZUXIV-JTQLQIEISA-N 268.269 -0.137 10 10 CBCE N[C@H]1COCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132419557 UMRJOFQEUNPOKP-MRVPVSSYSA-N 268.269 -0.397 10 10 CBCE Nc1cc2c(cc1N1CC[C@H](O)[C@@H](O)C1)NC(=O)CO2 2188627133 DFCVKJNAYIUMMF-QWRGUYRKSA-N 279.296 -0.468 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H](O)[C@H](O)C3)cc21 2188641906 YTJOTFBJNSBAPX-JHJVBQTASA-N 277.324 -0.405 10 10 CBCE Nc1ccc(OCC(=O)NC2(CO)CCNCC2)cc1 2191893944 JLFSJMUZYMLAIJ-UHFFFAOYSA-N 279.340 -0.122 10 10 CBCE O=C1Nc2cc(N3CCC3(CO)CO)c(F)cc2[C@@H]1O 2194354144 TZKIEPRPAQJQMX-NSHDSACASA-N 282.271 -0.255 10 10 CBCE Oc1ccc(-c2noc([C@@H]3NC[C@H](O)[C@@H]3O)n2)cc1O 2200872265 HKKVABAXIIMKQM-AEJSXWLSSA-N 279.252 -0.486 10 10 CBCE COc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(CO)c1 2235999251 HKNHBQJOZDCUJI-PHIMTYICSA-N 276.292 -0.104 10 10 CBCE C[C@@H](O)CN(CCN)C(=O)COc1ccc(N)cc1 2269815681 LZFRJZMXWQZTSR-SNVBAGLBSA-N 267.329 -0.184 10 10 CBCE NC(=O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 35427797 PTWIPQKGMYTQKR-UHFFFAOYSA-N 259.269 -0.330 10 10 CBCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1nnn(C)n1 697247947 GSCUXDSQODXHQE-ZCFIWIBFSA-N 254.254 -0.286 10 10 CBCE C[C@]1(CO)C[C@@H](O)CN1C(=O)COc1ccc(N)cc1 698160488 WWMDZIXEDAJWND-BXUZGUMPSA-N 280.324 -0.008 10 10 CBCE CN(C)C[C@@H](CO)NC(=O)c1cc(O)nc(O)c1 716753267 OCWUFLCBWAYEEL-QMMMGPOBSA-N 255.274 -0.855 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(CO)c(C)c1 720601566 IAXVKDFIXKZVQF-UHFFFAOYSA-N 279.340 -0.214 10 10 CBCE COCC(=O)NCCC(=O)NCc1cc(O)ccc1O 1455357977 ZBNZUZMOGRFWIJ-UHFFFAOYSA-N 282.296 -0.133 10 10 CBCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](CO)NC(N)=O 1585786555 DZYPXXAWCUMTRQ-GFCCVEGCSA-N 294.355 -0.294 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@]2(CO)CCNC2)cc1 1876410436 CUORXJTULTTYMN-LBPRGKRZSA-N 285.369 -0.587 10 10 CBCE C[C@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 1893299917 IYAFICIGDHVREW-PELKAZGASA-N 268.269 -0.549 10 10 CBCE Oc1ccc(CNC[C@H]2COC[C@H]2O)c(O)c1O 2036572961 UIDVKJQYLJJVJH-WCBMZHEXSA-N 255.270 -0.100 10 10 CBCE Nc1ccc(CN2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2063733735 WTEBUYJZIFLPKL-VXGBXAGGSA-N 250.298 -0.425 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1c(O)cccc1O 2108833796 ZKCFLIMAFMQIHQ-OESVNNKNSA-N 269.297 -0.397 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1Cc1ccc(F)cc1O 2139762012 MTNHUKPIIXWMTP-GARJFASQSA-N 271.244 -0.478 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2144024658 CENJXFROTGITDO-IYMWITQMSA-N 278.308 -0.129 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@]1(N)CCS(=O)(=O)C1 2172177783 RRVWXFBBOYUJEJ-CYBMUJFWSA-N 298.364 -0.133 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@H]2CCNC[C@@H]21 2185550992 STANFNLVQOPJQJ-UWVGGRQHSA-N 279.296 -0.304 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CN)c(OC)c1 2234073992 SBCSXOWHTAMTGG-DYEKYZERSA-N 282.340 -0.289 10 10 CBCE O=C(O)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 2295622047 KMAKRBYIHRZGFT-JGVFFNPUSA-N 282.252 -0.600 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]1[C@@H]2CO 2311861476 UZRGNBOEHPHBPE-YIZRAAEISA-N 250.254 -0.054 10 10 CBCE O=C1NC(=O)/C(=C/c2ccc(N(CCO)CCO)cc2)N1 66260008 MUINLADZKRPMOR-XFXZXTDPSA-N 291.307 -0.342 10 10 CBCE COCCNC(=O)CNC(=O)c1ccc(O)c(O)c1 226997038 MDMLBNFLUNLSAQ-UHFFFAOYSA-N 268.269 -0.410 10 10 CBCE NC(=O)[C@]1(O)CCCN(C(=O)Cc2ccc(N)cc2)C1 380003475 PXJKHBHHNQJEAX-AWEZNQCLSA-N 277.324 -0.350 10 10 CBCE CN1CCN(C(=O)COc2ccc(N)cc2)C[C@H]1CO 687599629 OQSHVGDDHWOGOM-LBPRGKRZSA-N 279.340 -0.218 10 10 CBCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CC(=O)NC1=O 1631467727 QMIDJUXYOVCCFM-VIFPVBQESA-N 292.291 -0.096 10 10 CBCE N=c1[nH][nH]cc1S(=O)(=O)NCCc1ccc(N)cc1 1876417918 RFQHNBFJRZIGQY-UHFFFAOYSA-N 281.341 -0.075 10 10 CBCE COC[C@@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2092829276 QEMQBPUYGYDYGF-SSDOTTSWSA-N 270.241 -0.288 10 10 CBCE O=C(N[C@H]1CCNC[C@@H]1CO)c1ccc(O)c(O)c1 2116265035 IPUQMKABQKBTGI-ZJUUUORDSA-N 266.297 -0.202 10 10 CBCE O=C(NC1CC(O)(C(=O)O)C1)c1cccc(O)c1O 2127778426 JBUDJQQUWNAXSF-UHFFFAOYSA-N 267.237 -0.194 10 10 CBCE CN(C[C@]1(O)CCOC1)C(=O)c1cc(O)nc(O)c1 2129445901 RFTPJSQCBYJULI-GFCCVEGCSA-N 268.269 -0.284 10 10 CBCE CNC(=O)OCCNC(=O)c1cc(O)c(O)c(O)c1 2132412867 IDQRJIUSTBUVBT-UHFFFAOYSA-N 270.241 -0.111 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1([C@H](O)CO)CC1 2133589577 NDEVZJSOWSGGKI-LLVKDONJSA-N 267.281 -0.358 10 10 CBCE COC1(CO)CN(c2ccc3c(c2)N(C)C(=O)[C@H]3O)C1 2157308186 QLWPEWWCXGMWHE-LBPRGKRZSA-N 278.308 -0.106 10 10 CBCE O=C1N[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@H]2NC1=O 2166791266 QSRBYROYEYNAQW-NXEZZACHSA-N 295.726 -0.156 10 10 CBCE Nc1ccc(OCC(=O)N2CCC[C@@H]2[C@@H](O)CO)cc1 2179804421 RRVIQHJCYFHIQG-OLZOCXBDSA-N 280.324 -0.008 10 10 CBCE CC1(C)[C@H](O)[C@H](O)CN1C(=O)COc1ccc(N)cc1 2181206055 HBGDXTHAGQKGHU-DGCLKSJQSA-N 280.324 -0.010 10 10 CBCE CO[C@H]1[C@@H](NC(=O)c2ccc(O)c(O)c2)C[C@H]1N 2258687645 QDHVODHZQUNGLA-VHSKPIJISA-N 252.270 -0.058 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@@H]1NC(=O)COc1ccc(N)cc1 2271172073 YMRGTQPLBUKBSI-GVXVVHGQSA-N 266.297 -0.088 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1O 2332916959 XNYUOBIBPNXKCZ-RZOYXHMNSA-N 269.297 -0.652 10 10 CBCE COc1cc2c(c(O)c1OC)[C@@H]([C@H](O)CO)NCC2 75823309 BJRJXDNNDMHECU-LDYMZIIASA-N 269.297 -0.051 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1c1cc2c(cc1N)OCCO2 97290650 SDANVQQLIONVRK-SSDOTTSWSA-N 277.280 -0.109 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNC(=O)C2)cc1 228869023 FSWCFJJXJPVEJQ-JTQLQIEISA-N 269.326 -0.423 10 10 CBCE Nc1ccc(CC(=O)NC2CS(=O)(=O)C2)cc1 380107875 KBMPHZVBRZQABT-UHFFFAOYSA-N 254.311 -0.276 10 10 CBCE COc1cccc(CN2C[C@H](O)C[C@H]2C(N)=O)c1O 895367993 LXNWFWZQFBBRAQ-ZJUUUORDSA-N 266.297 -0.179 10 10 CBCE Nc1ccc(NC(=O)C(=O)N[C@H]2CCNC2=O)cc1 1327680060 KLHAWLKEUINEND-VIFPVBQESA-N 262.269 -0.788 10 10 CBCE Nc1ccc(-n2nnc(C(=O)N=c3nc[nH][nH]3)n2)cc1 1857878967 QDZLJAURXVOVGV-UHFFFAOYSA-N 271.244 -0.963 10 10 CBCE COc1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c1 2121363690 JLUXSMXOMNQWJK-JQWIXIFHSA-N 287.337 -0.352 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(O)cc2O)[C@H](O)[C@H]1O 2121476517 VUJOWTKZLWOASP-JBSCMGISSA-N 269.297 -0.710 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N(CCO)C1COC1 2132348233 GYQGZHJDNBXNGJ-UHFFFAOYSA-N 269.253 -0.363 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCNC1=O 2136057382 GJXATDCBONOQOT-SECBINFHSA-N 264.281 -0.107 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](O)C[C@H](O)C2)cc1 2161396639 LHDRWOMZGGCPOM-RYUDHWBXSA-N 280.324 -0.008 10 10 CBCE CCOc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1O 2165120910 ILPSUVLTQJDPHE-QOBDMFJFSA-N 283.324 -0.265 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NC(=O)COc1ccc(N)cc1 2174099584 CSELPIADBHFAEH-ZYHUDNBSSA-N 279.296 -0.593 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(Cl)c1 2184134166 BAMZOXVRPXJNMN-NSHDSACASA-N 296.758 -0.151 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCNC[C@H]2CO)cc1 2191785278 YFZRDWXNWJPJAQ-WCQYABFASA-N 299.396 -0.341 10 10 CBCE CC(C)(C)OC(=O)NC1(COc2nnc(=N)[nH]n2)COC1 2209556251 QCLOXGVVEYZCTM-UHFFFAOYSA-N 298.303 -0.648 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@H]2[C@@H](O)CO)cc1 2286214072 OQJMHHBJHHONQB-STQMWFEESA-N 280.324 -0.008 10 10 CBCE NCCS(=O)(=O)CCNC(=O)c1ccc(O)c(O)c1 2335858383 LLAITWPBTMPOSH-UHFFFAOYSA-N 288.325 -0.799 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)CNC(=O)CN 37826604 CHFCLXZYODQBAZ-SECBINFHSA-N 265.313 -0.014 10 10 CBCE CN1C(=O)C[C@@H](NCc2ccc(O)c(O)c2)C1=O 88774650 SPSVRNZJZCCTKO-MRVPVSSYSA-N 250.254 -0.055 10 10 CBCE CC1(C)C(=O)NC(=O)CN1C(=O)c1cccc(O)c1O 126465591 WWJYAYXXRYYZBK-UHFFFAOYSA-N 278.264 -0.025 10 10 CBCE O=C(O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 236575726 NUVHHXMWPUXVGU-JGVFFNPUSA-N 267.237 -0.242 10 10 CBCE NC(=O)[C@@]1(O)CCN(CC(=O)Nc2ccc(N)cc2)C1 383766583 INAUXTDCVONXJR-CYBMUJFWSA-N 278.312 -0.871 10 10 CBCE C[C@H]1CN(C(=O)COc2ccc(N)cc2)CC(=O)N1 395711066 PZDLZHICXKXMBY-VIFPVBQESA-N 263.297 -0.006 10 10 CBCE O=C(NC[C@H]1CCC2(CNC2)O1)c1cc(O)nc(O)c1 690570264 AFHYWWGGIAWGRN-SECBINFHSA-N 279.296 -0.256 10 10 CBCE N[C@@H]1CCOC[C@H]1NC(=O)c1ccc(O)c(O)c1 710981153 HPKVNXJMGHGHKW-RKDXNWHRSA-N 252.270 -0.056 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@@H](O)CO)cc1 2061852137 HPWHAMPAXFNLNI-SNVBAGLBSA-N 254.286 -0.493 10 10 CBCE C[C@@](N)(CO)CNC(=O)c1cc(O)c(O)c(O)c1 2068624405 PAZKMDXLLMVUCN-NSHDSACASA-N 256.258 -0.757 10 10 CBCE C[C@H](NCCCNS(N)(=O)=O)c1c(O)cccc1O 2101324245 MLVSQXRDCFFCAM-QMMMGPOBSA-N 289.357 -0.068 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc21 2105077063 YASYBRRJNVDNSS-LNLATYFQSA-N 263.297 -0.430 10 10 CBCE O=C(N[C@@H]1CNCCOC1)c1cc(O)c(O)c(O)c1 2132399618 HBEWEVLGOKXMQT-MRVPVSSYSA-N 268.269 -0.478 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)C[C@@H](O)C2)cc1 2161397289 QUBXOWSCABVZME-JHJVBQTASA-N 282.340 -0.564 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCn2nnnc2C1 2175885496 HSIUQZZLOWGELU-SSDOTTSWSA-N 273.300 -0.219 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCn2nnnc2C1 2175885497 HSIUQZZLOWGELU-ZETCQYMHSA-N 273.300 -0.219 10 10 CBCE CN(CCc1nn[nH]n1)C(=O)c1cc(O)c(O)c(O)c1 2188875434 QPCHWLSIYACZFD-UHFFFAOYSA-N 279.256 -0.369 10 10 CBCE CN(C)c1ccc(CN2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)cc1 2200865401 SARWTSMUHPDDGA-RWMBFGLXSA-N 280.324 -0.257 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(CN)c1 2235964324 SEDSHKXPBUSWOQ-KGLIPLIRSA-N 282.340 -0.552 10 10 CBCE N[C@H](CS(=O)(=O)Nc1ccc(O)cc1)C(=O)O 2249438646 SSOOGLADQVKVDP-MRVPVSSYSA-N 260.271 -0.454 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1ccc(O)c(O)c1 2332873790 NNDGWBUJPQJVBX-GMTAPVOTSA-N 269.253 -0.912 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@@H](O)[C@@H](O)C3)cc21 2356889776 YTJOTFBJNSBAPX-AGIUHOORSA-N 277.324 -0.405 10 10 CBCE NS(=O)(=O)CCCNCc1ccc(O)c(O)c1 45066338 LQQYJYHYUYNXEH-UHFFFAOYSA-N 260.315 -0.134 10 10 CBCE CNC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)O 108262685 BUWWLKJVNPWPGG-PRHODGIISA-N 265.313 -0.577 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(O)nc2=O)[C@H](F)[C@@H]1O 256829685 SNWCOSVWPQSOEU-UTSKPXGSSA-N 287.207 -0.824 10 10 CBCE COC(=O)[C@@](C)(CO)NC(=O)c1cccc(O)c1O 1637733876 DLYGPMBROSEOJM-GFCCVEGCSA-N 269.253 -0.248 10 10 CBCE CNC(=O)[C@@H]1CNCCN1c1ccc(OC)cc1N 1876267767 SLQROECWZFAZPE-LBPRGKRZSA-N 264.329 -0.198 10 10 CBCE Nc1ccc(CC(=O)NCC2(CCO)CNC2)cc1 1876489832 VMCNNZOYFMWJHO-UHFFFAOYSA-N 263.341 -0.101 10 10 CBCE O=C(CN1CCNCC1)NCCc1ccc(O)c(O)c1 1968739633 UDANMRREINJGSK-UHFFFAOYSA-N 279.340 -0.338 10 10 CBCE O=C1COCCN(C(=O)c2cc(O)nc(O)c2)C1 2034724661 BTIPIABHHOCKSB-UHFFFAOYSA-N 252.226 -0.466 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)C[C@@H](O)C1 2043178224 BUJKENSYILNBLL-OCAPTIKFSA-N 254.242 -0.940 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1ccccc1O 2046515680 YSXXTPXFXSFRRP-TUNKQDFDSA-N 253.298 -0.102 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)C[C@@H]1CO 2087723411 VKYLRQFZPSOWLL-ZJUUUORDSA-N 267.281 -0.406 10 10 CBCE CC(C)(C(=O)C(=O)C[C@H]1C[C@H](N)C1)N1CCNCC1 2112571141 LJMVJUBSBBAYRG-XYPYZODXSA-N 267.373 -0.064 10 10 CBCE Cc1cc(CO)ccc1N1CCNC(=O)[C@@H]1C(N)=O 2127701555 OQYRSIBHJQTBJS-NSHDSACASA-N 263.297 -0.723 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@]1(CO)CCNC1 2133734900 XOVSPUUVZMOGBJ-CYBMUJFWSA-N 266.297 -0.519 10 10 CBCE O=C(N[C@@H]1C(=O)NC[C@@H]1C(=O)O)c1ccc(O)c(O)c1 2144414570 HKSNSBSAIVCUII-RCOVLWMOSA-N 280.236 -0.973 10 10 CBCE Nc1ccc(OCCCN2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2201037934 PTNLHECFUWACIB-MELADBBJSA-N 282.340 -0.564 10 10 CBCE Cc1cccc(CNC(=O)[C@H]2CNCCS2(=O)=O)c1O 2204628689 ZHZMNZVPPAQWLV-LLVKDONJSA-N 298.364 -0.297 10 10 CBCE O=C1N[C@@H]2CN(Cc3ccc(F)cc3O)C[C@H]2NC1=O 2204654317 OVYBAJWXEUWHBX-NXEZZACHSA-N 279.271 -0.670 10 10 CBCE O[C@H]1COC2(CN(c3ccc4c(c3)CCO4)C2)[C@@H]1O 2226753448 WFJSHAIQNIMQCT-WCQYABFASA-N 263.293 -0.068 10 10 CBCE Nc1ccc(CCC(=O)NC[C@@H]2NC[C@H](O)[C@@H]2O)cc1 2233980529 YJPJOZXJSGVMSD-SGMGOOAPSA-N 279.340 -0.989 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1CO 2311701669 HXBTWWPGYIHELZ-XQQFMLRXSA-N 253.298 -0.610 10 10 CBCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2332924984 YOEUVVBIOLFSTA-FOGDFJRCSA-N 274.267 -0.674 10 10 CBCE N[C@@H](c1nnc(CNCC(=O)O)o1)c1ccccc1O 83585116 QHNUPMSIOHOVFH-LLVKDONJSA-N 278.268 -0.003 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(CO)CC1 167174365 DVJMRLRGADFFAP-JTQLQIEISA-N 280.324 -0.144 10 10 CBCE CO[C@H]1CNCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 1912190170 ZWXYQUWCUUQVKZ-WPRPVWTQSA-N 256.310 -0.491 10 10 CBCE C[C@H]1CNC(=O)CN1C(=O)c1cc(O)nc(O)c1 2060843131 PGOXWBRUXPCQRQ-LURJTMIESA-N 251.242 -0.547 10 10 CBCE O=C(NC[C@@H]1CNCCOC1)c1cc(O)nc(O)c1 2102332330 GVPNKQJRUIRUHC-QMMMGPOBSA-N 267.285 -0.541 10 10 CBCE CS(=O)(=O)N1CC(NC(=O)COc2ccc(N)cc2)C1 2145433697 WAPLIQIRIGFGFR-UHFFFAOYSA-N 299.352 -0.592 10 10 CBCE CN(C)[C@@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@@H]1O 2146138458 PSDVSUQCMQUQOL-OLZOCXBDSA-N 278.356 -0.186 10 10 CBCE N[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2157501587 DXZUNYPBXXBGIP-DJLDLDEBSA-N 280.280 -0.443 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166791127 OWQYLRRVOHURNW-KPXOXKRLSA-N 275.308 -0.457 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2C[C@H](N)[C@@H](O)C2)cc1 2191650390 QOZIRVXKAMUNHM-ICCXJUOJSA-N 279.340 -0.138 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2[C@H](N)[C@H]3CCO[C@H]32)cc1 2191748333 UENRVKOVUWEUBM-FMKGYKFTSA-N 277.324 -0.122 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1 2273805152 IIRJWAWXVSIMQN-AQUOVQTQSA-N 271.288 -0.015 10 10 CBCE O=C(N[C@]12CO[C@](C(=O)O)(C1)C2)c1cc(O)nc(O)c1 2280678678 HTMZJDQHTOEUPQ-HAQNSBGRSA-N 280.236 -0.391 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)ccc1CO 2289482922 JGBKRSYPSUWCAV-JKOKRWQUSA-N 283.324 -0.662 10 10 CBCE C[P@@]1(=O)C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2330856081 KHZHPLGSGXCUNB-UOSOUYSTSA-N 286.224 -0.041 10 10 CBCE O=C(c1cc(O)nc(O)c1)N(CCO)C[C@@H]1CCCN1 236497574 JQOIEJPAQVKAEC-JTQLQIEISA-N 281.312 -0.321 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1ccc(O)c(O)c1 300438200 GPSPGYTWCNTKBM-FPQWWODTSA-N 264.281 -0.058 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CC(=O)N2CCC[C@H]21 305987618 NQQMAWASRCSMPK-OIBJUYFYSA-N 252.278 -0.495 10 10 CBCE CC(=O)C(=O)COC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 860042981 WXLBZZQVNDBUFN-VIFPVBQESA-N 291.325 -0.641 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CNCCOC2)cc1 1876443552 LTTGAPYIMKMZFZ-LLVKDONJSA-N 265.313 -0.248 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@]1(CO)C[C@H](O)C1 1889289523 WTDMZGBFLPAEJG-SWZMTVOYSA-N 267.281 -0.358 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912200921 NJHYQWJRLYHATK-QMMMGPOBSA-N 296.374 -0.007 10 10 CBCE COc1cc(Cl)cc(CNCC(O)(CO)CO)c1O 1913798945 ISYMQICQDVYVEC-UHFFFAOYSA-N 291.731 -0.141 10 10 CBCE CC1(C(N)=O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 1914224589 XGIRHMZFUOCIGJ-UHFFFAOYSA-N 283.353 -0.094 10 10 CBCE CN1C[C@H](N)[C@H](NC(=O)c2cccc(O)c2O)C1 2029893830 OQEMYJXLEIQXCQ-DTWKUNHWSA-N 251.286 -0.531 10 10 CBCE C[C@H](N)Cc1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2099143429 OJOYTMROBSUGRH-YFKPBYRVSA-N 299.381 -0.034 10 10 CBCE COc1cccc(O)c1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2108826321 UWFVTLSSDYFGJW-LGOOBZPGSA-N 269.297 -0.655 10 10 CBCE O=C(NCCc1nc[nH]n1)c1cc(O)c(O)c(O)c1 2132348168 FTHLHJZNKLURGN-UHFFFAOYSA-N 264.241 -0.106 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(C)c1 2136342673 OIDMQJDOLFCBFS-HZSPNIEDSA-N 266.341 -0.383 10 10 CBCE O=C(O)CC[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2188867553 CORFQGIDIBDHJZ-SSDOTTSWSA-N 285.252 -0.241 10 10 CBCE NCC1(O)CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 2191770448 UVFVHEZSGHJLAN-UHFFFAOYSA-N 299.396 -0.116 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H](N)C1CS(=O)(=O)C1 2197512339 CHFQWWBUPJJZDN-LBPRGKRZSA-N 298.364 -0.278 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2225800326 QKEJHAXQMQRBSK-SFYZADRCSA-N 290.349 -0.270 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@]2(O)CCNC2)cc1 2238462977 KCRXOVPMGGBMCT-CQSZACIVSA-N 279.340 -0.122 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3[C@H](O)CO)ccc21 2270707747 YHOSXMVXTJEMGN-UTUOFQBUSA-N 263.297 -0.430 10 10 CBCE Nc1ccc(CC(=O)N2CC3(CNC(=O)CO3)C2)cc1 2289728392 MYARRMOVWVVFET-UHFFFAOYSA-N 275.308 -0.461 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N(CCO)CCO 40694913 UEQCPBJSGHDCFZ-SNVBAGLBSA-N 267.329 -0.118 10 10 CBCE COc1ccc(CN2CCNC[C@H]2C(N)=O)c(O)c1 88659683 JCXRKUJPWOIMRO-NSHDSACASA-N 265.313 -0.340 10 10 CBCE NC[C@@H]1CNCCN1C(=O)c1cccc(O)c1O 125950600 AZLFTHQNHHPNIR-MRVPVSSYSA-N 251.286 -0.530 10 10 CBCE CCC(CO)(CO)NS(=O)(=O)Cc1ccc(N)cc1 233049308 NAJNABCSHOYURE-UHFFFAOYSA-N 288.369 -0.178 10 10 CBCE Cc1ccc(O)c(CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 693452432 DYSOQNOVVCWXLU-PHIMTYICSA-N 277.324 -0.281 10 10 CBCE CN(C)C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 702206767 FRDLPRBCBGPLEV-NSHDSACASA-N 265.313 -0.058 10 10 CBCE Nc1ccc(CC(=O)N2CC(CO)(CO)C2)cc1 721401817 HNNGBBGWVYTSLI-UHFFFAOYSA-N 250.298 -0.376 10 10 CBCE CC(=O)C(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 808529519 JQJNADSAMCNTPX-VIFPVBQESA-N 293.341 -0.348 10 10 CBCE Nc1cc2c(cc1N1C[C@H](N)C[C@@H](O)C1)OCCO2 1876394775 FCVRQQCSBKGPHT-RKDXNWHRSA-N 265.313 -0.062 10 10 CBCE [N-]=[N+]=NC1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1912180347 ZKZDDENEISJSKW-RKDXNWHRSA-N 260.319 -0.081 10 10 CBCE C[C@@H](O)c1ccc(N2CC(O)(C(N)=O)C2)c([N+](=O)[O-])c1 1915237592 IRAGYDCQPVSUQV-SSDOTTSWSA-N 281.268 -0.316 10 10 CBCE CN(c1ccc(N)cc1)S(=O)(=O)C1CS(=O)(=O)C1 1917951786 AUIZNKNVGKRKAO-UHFFFAOYSA-N 290.366 -0.168 10 10 CBCE O=C1C[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)C(=O)N1 1951735230 OWHABIJQECRISC-LHLIQPBNSA-N 265.221 -0.071 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2CNCC[C@H]2CO)cc1 1971918220 DXZKKFBCPTVYQZ-AAEUAGOBSA-N 263.341 -0.102 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 2172839064 QISIPIVHUOGNFC-CKYFFXLPSA-N 280.324 -0.145 10 10 CBCE COc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)c(N)c1 2191616610 UXVAGVUDIGUJCB-YPMHNXCESA-N 297.380 -0.147 10 10 CBCE CO[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@@H]1N 2191787695 IXWNLZWVNIJUTF-QPUJVOFHSA-N 278.312 -0.238 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@@H](O)[C@@H]1CF 2205598685 GKHACDNYQZFCLX-JUWDTYFHSA-N 287.243 -0.681 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2271156571 SIJUBQHAUUXCKA-QWRKXWFKSA-N 267.281 -0.095 10 10 CBCE Nc1ccc(NC(=O)CN2C(=O)COCC2=O)cc1 41074466 LTJWQVSKFVNBFK-UHFFFAOYSA-N 263.253 -0.407 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)[C@H](CO)C3)ccc21 704783343 JKDRBRMUBUEKOZ-RVBZMBCESA-N 277.324 -0.325 10 10 CBCE COc1ccc(CNC(=O)Cn2ncnn2)c(O)c1 1296969105 XKOAKRRUAQYNNN-UHFFFAOYSA-N 263.257 -0.296 10 10 CBCE O=C(NCCOCCCO)c1cc(O)nc(O)c1 2042200348 HEQPWSQBWGVTQV-UHFFFAOYSA-N 256.258 -0.378 10 10 CBCE C[C@@H]1CNC(=O)CN1C(=O)c1cc(O)nc(O)c1 2060843132 PGOXWBRUXPCQRQ-ZCFIWIBFSA-N 251.242 -0.547 10 10 CBCE CN(C)C[C@@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2132417311 CFJXFZSBIUXGCD-QMMMGPOBSA-N 269.301 -0.578 10 10 CBCE CC[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2136336487 MJSNEZJRAXDPSY-CRWXNKLISA-N 266.341 -0.001 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(F)c1 2184136756 OOSJCUHOCKTXHD-NSHDSACASA-N 280.303 -0.665 10 10 CBCE CN(C)c1ncc2nc(C3=C[C@H](O)[C@H](N)C3)n(C)c2n1 2188019379 HCYIXUXJPKEBRU-SCZZXKLOSA-N 274.328 -0.095 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNC[C@@H]2C(=O)O)cc1 2191784637 PZPDZSBCOIOKQB-LLVKDONJSA-N 299.352 -0.543 10 10 CBCE Nc1ccc(OCC(=O)N2CCN[C@H]3COC[C@@H]32)cc1 2191897926 GMJGTZYDYLOSQK-STQMWFEESA-N 277.324 -0.153 10 10 CBCE C[C@@]1(O)CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1O 2201526629 CSCKQHSMWMSIAV-GXTWGEPZSA-N 281.308 -0.016 10 10 CBCE O[C@@H]1COC2(CN(c3ccc4c(c3)OCCO4)C2)[C@@H]1O 2235105466 YNMQCUSEKXTAJM-ZWNOBZJWSA-N 279.292 -0.231 10 10 CBCE Cn1nnc([C@H](O)c2ccc(N3CCNCC3)cc2)n1 2286071462 NTOMAAUUCYUMHK-GFCCVEGCSA-N 274.328 -0.299 10 10 CBCE Nc1cc2c(cc1N1C[C@@H]3C[C@H]1[C@@H](O)[C@H]3O)OCCO2 2354478363 KUOFTNQTNHNSRF-ZMHRIIPESA-N 278.308 -0.030 10 10 CBCE O=C(CNC1CC1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486864 JUSUIDVEIFYSOR-SNVBAGLBSA-N 294.307 -0.038 10 10 CBCE Nc1cc2c(cc1N1CC[C@@](O)(CO)C1)NC(=O)CO2 313659941 GKTGBHWPFJMWBK-ZDUSSCGKSA-N 279.296 -0.467 10 10 CBCE O=C(NCCCCc1nn[nH]n1)c1cc(O)nc(O)c1 708307695 RTUUBRJLPSVVNI-UHFFFAOYSA-N 278.272 -0.241 10 10 CBCE O=C(N[C@@H]1CNCCOC1)c1cccc(O)c1O 2034726676 UEKFJJQBBPVZTC-MRVPVSSYSA-N 252.270 -0.184 10 10 CBCE COC[C@H](NC(=O)Cc1ccc(N)cc1)C(N)=O 2034937258 FGCJOBCCSVMZHR-JTQLQIEISA-N 251.286 -0.572 10 10 CBCE O=C(NC[C@@H]1COC[C@H]1O)c1cccc(O)c1O 2036580595 UMIFZYCIHSSVRU-GMSGAONNSA-N 253.254 -0.165 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CC3)C1 2038244158 CIQCNRFADAISTG-UWVGGRQHSA-N 250.306 -0.103 10 10 CBCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@@H](O)C(=O)O 2056769338 ORQUUVUKFZPTSK-MLUIRONXSA-N 255.226 -0.338 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1F 2127252484 ODUMXDONACLUDE-NEPJUHHUSA-N 268.288 -0.405 10 10 CBCE O=C(NCC[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 2132348762 RQFAIGPJKFYZDI-ZCFIWIBFSA-N 271.225 -0.631 10 10 CBCE O=C(N[C@@H]1CCOC[C@@H]1C(=O)O)c1cc(O)nc(O)c1 2176119521 CAOWSGAOBUCLAV-JGVFFNPUSA-N 282.252 -0.288 10 10 CBCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1O 2184133749 WSGKAWPWOBHGBE-RDDDGLTNSA-N 279.296 -0.764 10 10 CBCE CNC(=O)[C@@H]1CNCCN1C(=O)Nc1ccc(N)cc1 2191528066 BNEDRJSUQXPPNI-NSHDSACASA-N 277.328 -0.180 10 10 CBCE C[C@H](CO)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2279170188 AJRAQQMHGOWHIS-APPZFPTMSA-N 283.280 -0.162 10 10 CBCE Cn1nc(NCc2ccc(N)cc2)c(=O)n(C)c1=O 37671042 CXJREKVOPMIYQV-UHFFFAOYSA-N 261.285 -0.327 10 10 CBCE O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(O)cc1O 86815308 PTKCLJADCAQIOL-SNVBAGLBSA-N 280.280 -0.127 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCC(=O)NC2=O)cc1 89752394 DSKQPQNYFAUWNS-SNVBAGLBSA-N 297.336 -0.507 10 10 CBCE O=C(C[C@@H]1CC(=O)NC1=O)NCCc1ccc(O)c(O)c1 1631510441 OTNHYGHSHBZDJJ-SECBINFHSA-N 292.291 -0.191 10 10 CBCE C[C@](NCCN=[N+]=[N-])(C(N)=O)C1CS(=O)(=O)C1 1912168761 FYZFMRIFSISVCU-MRVPVSSYSA-N 261.307 -0.825 10 10 CBCE NCCOC1CN(C(=O)c2ccc(O)c(O)c2)C1 2034843023 ZOFPAGWZFWQOFH-UHFFFAOYSA-N 252.270 -0.103 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1F 2090137508 ZOUUPJFHJAKNCY-CHWSQXEVSA-N 270.304 -0.157 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOC[C@@H](CO)C1 2098244146 YFBAHJUNVDQZJC-MRVPVSSYSA-N 268.269 -0.426 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 2105109852 CYADLCICJAIQJL-TXEJJXNPSA-N 286.353 -0.474 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)cc1C 2108831926 NNALQGVWBAMFEQ-WVWOOGAGSA-N 267.325 -0.052 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2CNC[C@H]12)c1cccc(O)c1O 2121654774 WCYGZRXJXJICSX-FXPVBKGRSA-N 264.281 -0.186 10 10 CBCE Cc1cc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)ccc1CN 2127250711 JRFIHECVWSKTAF-OLZOCXBDSA-N 264.325 -0.235 10 10 CBCE CN[C@H]1CCc2cc(N3CC(O)(C(N)=O)C3)ccc21 2128311680 XZLDAQBMZBZBNY-LBPRGKRZSA-N 261.325 -0.070 10 10 CBCE C[C@H](NC(=O)[C@@H]1NC[C@H](O)[C@H]1O)c1ccccc1O 2136444986 OEJOHRVANKWBNC-CWPPHPDTSA-N 266.297 -0.737 10 10 CBCE Cc1ccc(CN2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)c(O)c1 2139756699 YBHZOZOPBILKMQ-TUAOUCFPSA-N 267.281 -0.309 10 10 CBCE CN(C)[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1O 2146137862 LSIWAUZGAINFNY-STQMWFEESA-N 299.396 -0.295 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H]3NC(=O)O[C@@H]3C2)cc1 2176918427 WIPCILAFXNDIDX-GHMZBOCLSA-N 297.336 -0.109 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@H]1CCNC1=O 2185177317 XRNQBVIFFWZJFP-NSHDSACASA-N 276.340 -0.308 10 10 CBCE O=C(O)CC1(O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188868426 QXYWKZHTDVCVAC-UHFFFAOYSA-N 283.236 -0.535 10 10 CBCE CN(Cc1nnn(C)n1)c1ccc2c(c1)NC(=O)[C@@H]2O 2197848275 WJKFZRDJQSONAY-LLVKDONJSA-N 274.284 -0.168 10 10 CBCE NC(=O)C1(O)CN(c2ccc3c(c2)OCCCO3)C1 2226804479 DOVYGQOUQWSYBS-UHFFFAOYSA-N 264.281 -0.116 10 10 CBCE CO[C@H]1[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N 2271152821 TTYHIWDMTZGPTJ-PTZCXBDSSA-N 268.269 -0.352 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1[C@H](C)O 2334469004 VWXBXZGEZXECBI-VKKKGTNTSA-N 267.325 -0.049 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2356974889 GBHBDVKXJINBII-JRPBRRGXSA-N 281.264 -0.631 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)ccc21 36194947 HEIBCMDNBVARCR-NSHDSACASA-N 281.337 -0.127 10 10 CBCE CN(C)CCNC(=O)[C@H](N)c1ccc(O)c(O)c1O 83513275 GNQVXKUTMZYQMZ-SECBINFHSA-N 269.301 -0.519 10 10 CBCE N=[N+]=c1c(=O)ccc2c(=O)c3ccccc3c(=O)c1=2 96054724 MPEIRALXBZUBLW-UHFFFAOYSA-N 251.221 -0.339 10 10 CBCE C[C@@H]1C(=O)NCCN1C[C@H](O)COc1ccc(N)cc1 110654652 PEFTZEQGGZJDEP-PWSUYJOCSA-N 279.340 -0.171 10 10 CBCE C[C@@H](O)CNCCNC(=O)c1cccc(O)c1O 126729944 BSFPCDYMMJLPAA-MRVPVSSYSA-N 254.286 -0.202 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](O)[C@H](CO)C2)cc1 396864546 SWPWCDDJIRSBNT-GWCFXTLKSA-N 280.324 -0.151 10 10 CBCE O=C(NC1CN(C2COC2)C1)c1cc(O)c(O)c(O)c1 1148591239 VRSUVTIFGOLXOL-UHFFFAOYSA-N 280.280 -0.384 10 10 CBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)Nn2cnnc2)c1 1446849369 NWAVNFLIYJFMPU-UHFFFAOYSA-N 297.296 -0.261 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)CC23CNC3)cc1 1876432624 VSCDFUPXASAHLU-LBPRGKRZSA-N 261.325 -0.254 10 10 CBCE O=C(O)c1cc(NS(=O)(=O)N2CC(O)C2)ccc1O 1914178658 AKXHWQUJTVBMBN-UHFFFAOYSA-N 288.281 -0.576 10 10 CBCE Cc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c1O 2057716879 DNKNNPULQLUQFQ-MNOVXSKESA-N 271.338 -0.052 10 10 CBCE COc1ccc(N(C)C[C@@H]2NC[C@H](O)[C@@H]2O)cc1 2081018317 NPVXAZYSCPRVCK-RWMBFGLXSA-N 252.314 -0.175 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COCC[C@@H]1O 2087730311 XDUDGYBIHJLECA-ZJUUUORDSA-N 267.281 -0.094 10 10 CBCE Nc1ccc(OCC(=O)NCCn2cnnn2)cc1 2090428287 QARCNHZHVANFLU-UHFFFAOYSA-N 262.273 -0.550 10 10 CBCE O=C1N[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]2O1 2176927907 PKYBYQLEJOHHTH-KWQFWETISA-N 278.264 -0.041 10 10 CBCE O=C(N[C@H]1CO[C@@]2(CCNC2)C1)c1cc(O)nc(O)c1 2201748198 XNCLJHKFMYZKSO-RNCFNFMXSA-N 279.296 -0.256 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2329333758 YEYQEGQDTZTNBW-VSKMUCINSA-N 265.265 -0.336 10 10 CBCE COC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 159106888 LNHOOYPJECXYCN-LURJTMIESA-N 256.214 -0.678 10 10 CBCE NC(=O)C(NCc1c(O)cccc1Cl)C(N)=O 695316762 LHXCFKDWVHOGCX-UHFFFAOYSA-N 257.677 -0.526 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@H]1COC[C@@H]1O 708721571 VZXJOUKLHAXAQW-SDDRHHMPSA-N 264.281 -0.132 10 10 CBCE CN(Cc1nnn(C)n1)C(=O)Cc1ccc(N)cc1 1893022886 DOLJIFSMXQAHFZ-UHFFFAOYSA-N 260.301 -0.007 10 10 CBCE CN1C[C@H](N)[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2029893329 KYVPTMXJWIPETM-DTWKUNHWSA-N 251.286 -0.531 10 10 CBCE CNC(=O)CCNC(=O)c1cc(O)c(O)c(O)c1 2068565622 DCTZVHQZXZWGLG-UHFFFAOYSA-N 254.242 -0.331 10 10 CBCE COC(=O)CN(C)S(=O)(=O)NCc1ccc(N)cc1 2106172562 BBYMSPUKRMHGGC-UHFFFAOYSA-N 287.341 -0.292 10 10 CBCE C[C@@H](N)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2201035418 JJDJHRMPZOQAMB-FZVLQCKTSA-N 288.294 -0.113 10 10 CBCE Nc1cc(NS(=O)(=O)N2CC[C@H](O)C2)ccc1O 2220579624 JPTMWARKDVXBBY-QMMMGPOBSA-N 273.314 -0.302 10 10 CBCE Nc1ccc(OCCN2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2234100920 NQCUTIFEVZCGRP-UONOGXRCSA-N 282.340 -0.562 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1F 2332924684 RQBSXUFDILGYOO-SBMIAAHKSA-N 274.267 -0.674 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1ccc(O)c(O)c1 83397872 UZOZWNNEGGRNJA-JTQLQIEISA-N 254.242 -0.613 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCC(O)(CO)CC3)ccc21 313927392 WNPZWIRVUQTNLJ-LBPRGKRZSA-N 277.324 -0.038 10 10 CBCE CCS(=O)(=O)NCCNC(=O)c1ccc(O)c(O)c1 390305156 MHWGBTDVRDDBRN-UHFFFAOYSA-N 288.325 -0.233 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)C[C@H]2CO)cc1 698139132 OEQNHKSXAKFNND-WDEREUQCSA-N 266.297 -0.398 10 10 CBCE COC[C@H](ONC(=O)c1cccc(O)c1O)C(=O)O 709601564 SFPVWAVWSDNJEE-QMMMGPOBSA-N 271.225 -0.141 10 10 CBCE Nc1ccc(OCC(=O)N[C@]2(CO)CCNC2)cc1 1876671659 ZXNDEDPYORFMPS-CYBMUJFWSA-N 265.313 -0.512 10 10 CBCE O=C(NC[C@@H]1COC[C@H]1O)c1ccc(O)c(O)c1 2036576926 KSENRCXDEZKZNG-LDYMZIIASA-N 253.254 -0.165 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CO[C@@]2(CCOC2)C1 2058580068 NWYTVJPCTZKCSN-VHSXEESVSA-N 255.278 -0.310 10 10 CBCE O=C(O)C[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 2087721579 ASMDQFWAXWYXSF-QMMMGPOBSA-N 269.253 -0.408 10 10 CBCE C[C@@H](O)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2125478273 JWBCEVVKCOHCFJ-HTRCEHHLSA-N 269.253 -0.410 10 10 CBCE NC(=O)NC1CN(c2cc3c(cc2F)[C@H](O)C(=O)N3)C1 2163219718 LGTMNFRAHHTKIZ-JTQLQIEISA-N 280.259 -0.332 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166791501 TWLJHFXZTASZGV-FXAINCCUSA-N 274.324 -0.491 10 10 CBCE Nc1ccc(OCC(=O)OCC(CO)(CO)CO)cc1 2179798095 IMNFZRQFJHSWAX-UHFFFAOYSA-N 285.296 -0.846 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@H]1[C@@H](O)[C@@H](O)C2 2190187502 FVQKKADVEZXAOT-PHGLEFOZSA-N 280.280 -0.409 10 10 CBCE O=C(N[C@@H]1CCC[C@H](O)[C@H]1O)c1cc(O)nc(O)c1 2224348345 LQBNOPLCFSMHKP-FYBVGQRMSA-N 268.269 -0.503 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@@H]2[C@@H](O)CO)cc1 2286209683 OMAFYWGAYVBGMA-BNOWGMLFSA-N 282.340 -0.564 10 10 CBCE O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(O)nc(O)c1 170223369 FLYWCBSLHKMBOR-ZETCQYMHSA-N 272.282 -0.590 10 10 CBCE Cc1cc(CN)ccc1N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 693394091 VUKLUHKRMGSXQV-PHIMTYICSA-N 276.340 -0.523 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COCC[C@H]2O)cc1 710860352 XNQNTBPCGGJOJI-VXGBXAGGSA-N 266.297 -0.086 10 10 CBCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@H]1CCS(=O)(=O)C1 1912177961 IWCDVZSQSQKIAH-WCBMZHEXSA-N 289.361 -0.045 10 10 CBCE Nc1ccc(OCCN2CC(CO)(CO)C2)cc1 1914990586 SHJOBUQNEXEIQO-UHFFFAOYSA-N 252.314 -0.066 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CC(CO)(CO)C[C@@H]2O)C1 2085480851 RNLCSOLYCURTHN-BBBLOLIVSA-N 256.306 -0.135 10 10 CBCE O=C(CNO)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2107265442 KMUMOANAKLVDIC-SSDOTTSWSA-N 270.241 -0.812 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@@H]2N 2184740871 AUUVLTOLMQEUNU-NWDGAFQWSA-N 274.324 -0.577 10 10 CBCE O=C(NC[C@@H]1CNCCCO1)c1cc(O)c(O)c(O)c1 2188921584 CKPKJEJZYYONEY-VIFPVBQESA-N 282.296 -0.088 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1COC[C@@H]1F 2191531786 NOOSCODYXZUNQO-LPEHRKFASA-N 284.287 -0.179 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CCC3(CO)CO)ccc21 2194350806 AKNWVGJBDALKFD-LBPRGKRZSA-N 277.324 -0.167 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)c2cn(C3CNC3)cn2)C1 2225230865 IVGOLQOXAKAMCR-KYZUINATSA-N 262.313 -0.093 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(N)c1 2225721597 LLSGATXGGFOCJK-QWHCGFSZSA-N 268.313 -0.428 10 10 CBCE O=C(N[C@@H]1CCC[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 2232550921 ZWQFPESCKBKRJO-XLDPMVHQSA-N 283.280 -0.193 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(C=O)c1 2289400802 DEHRSEVVNQGCGQ-BPNCWPANSA-N 281.308 -0.342 10 10 CBCE CCN(CCO)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40467491 CMIKVRFBGIKPQH-JTQLQIEISA-N 268.313 -0.192 10 10 CBCE C[C@@](CO)(NC(=O)Cc1ccc(N)cc1)C(=O)O 313554846 ZPSAKFIHGDMAAK-LBPRGKRZSA-N 252.270 -0.237 10 10 CBCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)CO)cc1 1456719931 MKURYZGOXSCBBN-SECBINFHSA-N 266.257 -0.068 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@]1(O)CCOC1 1636520662 BTZCIEHDASLECA-CYBMUJFWSA-N 267.281 -0.092 10 10 CBCE O=C1C[C@H](NCc2ccc(O)c(O)c2O)C(=O)N1 2034960123 YOAYAYLSTJBWMA-LURJTMIESA-N 252.226 -0.692 10 10 CBCE CN(CCN=[N+]=[N-])S(=O)(=O)N1CCS(=O)(=O)CC1 2045259795 JNFOQYUWUWNTEM-UHFFFAOYSA-N 297.362 -0.796 10 10 CBCE Oc1ccc(Cl)cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046514545 OHUSUMZCQUPVSH-KLHWPWHYSA-N 273.716 -0.010 10 10 CBCE N[C@H]1CCOC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2087729223 LETPHZZFVQKFEI-UWVGGRQHSA-N 266.297 -0.127 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@H]1CC(=O)N1 2092750187 YBNKQVNTODOXCX-NSHDSACASA-N 262.313 -0.555 10 10 CBCE Cn1c(O)nnc1NC(=O)c1cc(O)c(O)c(O)c1 2134813914 GCCVMDZCFGZBBM-UHFFFAOYSA-N 266.213 -0.110 10 10 CBCE CN(C)S(=O)(=O)CCCn1ccc2c(c1=O)CNCC2 2150797548 KQJWHYILEOMTPC-UHFFFAOYSA-N 299.396 -0.225 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@@H]1NC(=O)c1cc(O)nc(O)c1 2258677068 RBOGFAKSRJWJIN-BYULHYEWSA-N 254.242 -0.629 10 10 CBCE N[C@@H](c1nnc([C@@H](O)CO)o1)c1ccc(O)cc1O 83494121 VQZXEBYEWYOCJB-DTWKUNHWSA-N 267.241 -0.445 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)[C@H](N)c1ccccc1O 83496875 JNSDZWBBHURFHS-VHSXEESVSA-N 268.269 -0.958 10 10 CBCE C[C@H](NCC(O)(CO)CO)c1ccc(F)cc1O 1913786855 RQEWDEWISLOJES-QMMMGPOBSA-N 259.277 -0.102 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1CS(=O)(=O)C[C@@H]1O 2057714203 PNAPWRXWMRNBAV-PWSUYJOCSA-N 271.338 -0.052 10 10 CBCE NCCN(CCO)C(=O)CCc1ccc(N)cc1 2071702961 DPSOEZNRHAETCA-UHFFFAOYSA-N 251.330 -0.019 10 10 CBCE COC(=O)c1cccc(N)c1N[C@@H]1CNC[C@H]1O 2071719989 VSPSSDOTRZEYFM-NXEZZACHSA-N 251.286 -0.200 10 10 CBCE CN1C[C@@H](O)[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 2090341170 WZCAHVIERWRAFY-VXGBXAGGSA-N 285.369 -0.637 10 10 CBCE O=C1NCC2(CN(C(=O)c3ccc(O)c(O)c3)C2)N1 2121188384 LWYFQNKUWCROBO-UHFFFAOYSA-N 263.253 -0.395 10 10 CBCE N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@H]1CO 2122394465 WYCHTNIFFCWYJH-VHSXEESVSA-N 266.297 -0.121 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN[C@H]2COC[C@H]21 2132434935 SLUKLZKJLOVVKG-VHSXEESVSA-N 264.281 -0.089 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1c(O)cccc1F 2136101281 KFCAYPHKTAVOPL-DCAQKATOSA-N 271.244 -0.478 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2136297089 WJPRJFRZJAYSAT-AAVRWANBSA-N 265.309 -0.431 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2160716444 MNSNSXGWJODFCQ-LPTSXCQYSA-N 298.364 -0.476 10 10 CBCE O=C(N[C@@H]1CCO[C@@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2188867696 FLCYUQZQACEAFK-LDWIPMOCSA-N 283.236 -0.225 10 10 CBCE Nc1ccc(OCCC(=O)N2CCC2(CO)CO)cc1 2194356918 OKFYABYREFATCZ-UHFFFAOYSA-N 280.324 -0.007 10 10 CBCE O=C(N[C@H]1CO[C@@H]2CNC[C@@H]21)c1cc(O)c(O)c(O)c1 2356974944 HUMLASNDBYVKKQ-VHSKPIJISA-N 280.280 -0.480 10 10 CBCE NC(=O)[C@]1(O)CCN(CC(=O)c2ccc(O)c(O)c2)C1 380101883 NHDQFZOQFCSBAS-ZDUSSCGKSA-N 280.280 -0.797 10 10 CBCE Cn1c(O)nnc1CNC(=O)c1ccc(O)c(O)c1 692277402 UMOFQMFGMRMDAS-UHFFFAOYSA-N 264.241 -0.138 10 10 CBCE COC[C@@H](NC(=O)c1cccc(O)c1O)c1nn[nH]n1 1558339647 ITIAHMXBOGIQIJ-SSDOTTSWSA-N 279.256 -0.272 10 10 CBCE Nc1ccc(-n2nnc(C(=O)NCCC(=O)O)n2)cc1 1857878956 PVWDFJXINZLCGV-UHFFFAOYSA-N 276.256 -0.551 10 10 CBCE C[C@H](NCC(O)(CO)CO)c1cc(F)ccc1O 1913786090 GRMQXUYEPSMSDL-QMMMGPOBSA-N 259.277 -0.102 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COC[C@H]1O 2027485975 YAAPJHIXYMNQFW-GZMMTYOYSA-N 253.254 -0.484 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2NCCO[C@H]2C1 2097692117 FVDXGPBZUVBGBO-CABZTGNLSA-N 264.281 -0.089 10 10 CBCE CNC1(C(N)=O)CN([C@@H](C)c2ccc(O)cc2O)C1 2109490442 DPXDRYFLWUFXDX-QMMMGPOBSA-N 265.313 -0.082 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(N)c1 2127271169 ZZMJQKKSLVDWKE-NWDGAFQWSA-N 266.297 -0.412 10 10 CBCE CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188875339 PVFAKGXKIYOKII-ONGXEEELSA-N 283.280 -0.240 10 10 CBCE NC[C@@]1(CO)COCCN1C(=O)Nc1ccc(N)cc1 2191516767 MFRGMAPNZLXUGI-CYBMUJFWSA-N 280.328 -0.177 10 10 CBCE O=C1CC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)N1 2207819073 FLAVBRXTKZLESC-UHFFFAOYSA-N 277.280 -0.013 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]1[C@@H](O)CO 2258345632 LHHDLYYQFWIBIY-KWQFWETISA-N 253.254 -0.335 10 10 CBCE O=C(NCCS(=O)(=O)CCO)c1cccc(O)c1O 2335860373 MLJQJGLWHKHXPL-UHFFFAOYSA-N 289.309 -0.765 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2354367752 FNLMTCCWSXHFJM-FRRDWIJNSA-N 277.324 -0.101 10 10 CBCE O=C(O)[C@@H]1CNCCN1C(=O)c1ccc(O)c(O)c1 236445457 LSCVAYGXUSSVLQ-QMMMGPOBSA-N 266.253 -0.404 10 10 CBCE C[C@H]1C[C@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 385003518 QIFIDHHBZOTFKG-LSJOCFKGSA-N 280.324 -0.051 10 10 CBCE CN(C)C[C@@H](O)CNCc1ccc(O)c(O)c1O 717368287 RKXXIBKNFRPCEY-VIFPVBQESA-N 256.302 -0.185 10 10 CBCE COc1cccc(CNC(=O)c2nnn(C)n2)c1O 1545684401 VNIZHUVYYSLJJK-UHFFFAOYSA-N 263.257 -0.146 10 10 CBCE CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc(O)cs1 1558637734 WVJBDPDLWAFOCU-ZETCQYMHSA-N 279.339 -0.411 10 10 CBCE C[C@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 1912174201 WGBVVUUNHHBPBC-IONNQARKSA-N 275.334 -0.293 10 10 CBCE O=C1CN(Cc2ccccc2O)[C@@H](C(=O)O)CN1 1963615370 XNZBDDZTTQVHEI-SECBINFHSA-N 250.254 -0.223 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1 2029659312 GVMYIVZPLSECSJ-OLZOCXBDSA-N 252.314 -0.296 10 10 CBCE O=C(NCC1[C@H]2CNC[C@H]12)c1cc(O)c(O)c(O)c1 2132399707 HSYXDGOVOJJEAE-YUMQZZPRSA-N 264.281 -0.001 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1 2140663929 PRNOCXIDIYHPLW-MDZLAQPJSA-N 268.288 -0.287 10 10 CBCE O=C(CN1C[C@@H](CO)C[C@H]1CO)c1ccc(O)c(O)c1 2146128587 ZLDVZRFSAPLKTJ-ONGXEEELSA-N 281.308 -0.044 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2C[C@@H](N)[C@H](O)C2)cc1 2191650392 QOZIRVXKAMUNHM-OASPWFOLSA-N 279.340 -0.138 10 10 CBCE Nc1ccc(CCC(=O)NC[C@@H]2NC[C@@H](O)[C@H]2O)cc1 2233980528 YJPJOZXJSGVMSD-SCRDCRAPSA-N 279.340 -0.989 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(N)c1 2311713067 UNXRSNAMZIXFQQ-UTUOFQBUSA-N 254.286 -0.820 10 10 CBCE CN(C)c1ccc(CNC(=O)C(N)(CO)CO)cc1 2344105685 DZSYMHIUSWPMNX-UHFFFAOYSA-N 267.329 -0.949 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2CCNC(=O)C2)cc1 70490480 VQQFDFCFRIGTEV-UHFFFAOYSA-N 299.352 -0.591 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCOC1 131395413 YPORDZDGDUBWKB-ZJUUUORDSA-N 266.297 -0.127 10 10 CBCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c(F)c1 387010664 QVGXJRNWQPCFST-RKDXNWHRSA-N 263.272 -0.007 10 10 CBCE O=C(O)C[C@@H](O)CNC(=O)c1ccc(O)c(O)c1 398424990 QFHBDDXJSAVMCN-SSDOTTSWSA-N 255.226 -0.337 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@@H]3CO)ccc2[C@@H]1O 698130842 SHDIPTHPKZJOBN-LNLATYFQSA-N 264.281 -0.396 10 10 CBCE CN(C)C[C@H](CN)NC(=O)c1cccc(O)c1O 716775159 NUNAXOKCOZXJNJ-QMMMGPOBSA-N 253.302 -0.284 10 10 CBCE CN(C)C[C@H](O)CNCc1ccc(O)c(O)c1O 717368285 RKXXIBKNFRPCEY-SECBINFHSA-N 256.302 -0.185 10 10 CBCE C[C@@H](O)[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1642587762 GMEODABEYRYNBO-RDDDGLTNSA-N 255.270 -0.502 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2ccccc2O)C[C@H]1O 1890596845 LONVNKPDMXVAAZ-YPMHNXCESA-N 267.281 -0.226 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2cccc(F)c2O)C1 2057721590 UZAQIDNFXBFDKI-VHSXEESVSA-N 275.301 -0.221 10 10 CBCE CN(C)C[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2091744171 QGCGZCDPEGBKNR-JTQLQIEISA-N 267.329 -0.355 10 10 CBCE CN(CCN)S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2104904322 KSRISYOHSYWIHJ-UHFFFAOYSA-N 290.301 -0.152 10 10 CBCE O=C(N[C@@H]1CNCC[C@@H]1CO)c1cc(O)nc(O)c1 2116271481 XKMLSSHDAFLOEI-VXNVDRBHSA-N 267.285 -0.807 10 10 CBCE Nc1cccc(C(=O)O)c1N[C@@H]1CS(=O)(=O)C[C@@H]1O 2121464583 FWKRMAQCJHZZHC-BDAKNGLRSA-N 286.309 -0.463 10 10 CBCE Cc1cc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)ccc1CO 2166790132 CFFLMOFLSFSNAS-RYUDHWBXSA-N 275.308 -0.709 10 10 CBCE COc1cc(N2CC(N)(C(N)=O)C2)cc(OC)c1OC 2181947313 VHIZAYPXDFAEFJ-UHFFFAOYSA-N 281.312 -0.285 10 10 CBCE O=C1CC2(CN1)CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2188917668 YQHDBRRWFYNKBG-UHFFFAOYSA-N 278.264 -0.235 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCC(N)(CO)CC2)cc1 2191780886 HEHWSGHNJXLPNY-UHFFFAOYSA-N 299.396 -0.116 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2cc(F)ccc2O)C[C@@H]1O 2197473617 NIQGNNFNOLJHBO-WCQYABFASA-N 285.271 -0.086 10 10 CBCE COc1cc(N2CCN(CCO)C(=O)C2)ccc1CN 2204552761 GONZURPXOUIQCN-UHFFFAOYSA-N 279.340 -0.205 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]1[C@H](O)CO 2270717457 YLZUVBGSESZIKR-BXKDBHETSA-N 267.281 -0.406 10 10 CBCE CC(=O)NCCNS(=O)(=O)Cc1ccc(N)cc1 36746262 NXQGAAKGULLRHY-UHFFFAOYSA-N 271.342 -0.176 10 10 CBCE C[C@@H](O)CNC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1 83497288 GTASJRVTFKIDAN-OQPBUACISA-N 268.313 -0.145 10 10 CBCE CNCc1ccc(N2CC[C@](O)(C(N)=O)C2)c(F)c1 311847405 NWDLJXIGFZKGRV-CYBMUJFWSA-N 267.304 -0.028 10 10 CBCE O=C(N[C@@]1(CO)CCOC1)c1cc(O)nc(O)c1 393880944 VXQJUKKBADPQPC-LLVKDONJSA-N 254.242 -0.626 10 10 CBCE CS(=O)(=O)NC1CN(C(=O)c2ccc(O)c(O)c2)C1 703169169 PHGHTQUIZYYOHS-UHFFFAOYSA-N 286.309 -0.529 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)Cc1nnnn1C 707380723 ZNFOURAVGKITTP-UHFFFAOYSA-N 277.284 -0.064 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@H]1COCCO1 708560227 XJLDWEBYGDDTAI-CYBMUJFWSA-N 279.340 -0.029 10 10 CBCE O=C(O)[C@H]1C[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 1866302732 BEKCGMGIPSWARM-NKWVEPMBSA-N 283.236 -0.537 10 10 CBCE COC(=O)[C@H](N)CCNC(=O)Cc1ccc(N)cc1 1876519043 IXPQWGROIMSRMW-LLVKDONJSA-N 265.313 -0.182 10 10 CBCE O=C(O)C1[C@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@H]12 2087315632 PFFIPMIHKPTQLQ-BQBZGAKWSA-N 264.237 -0.105 10 10 CBCE N[C@]1(C(=O)O)C[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2094869333 CXCVLTITCAPXPQ-MHWOZMEASA-N 267.241 -0.833 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@H]2COC[C@@H]21 2158406968 CCJCBYRGDJJBRQ-KWBADKCTSA-N 279.292 -0.142 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](N)[C@@H](CO)C2)cc1 2191719557 LSPRQVTXXQGCLY-ZWNOBZJWSA-N 279.340 -0.184 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@H](O)CC3)ccc21 2284548447 AHMBQPFIRSUOCJ-UPJWGTAASA-N 277.324 -0.040 10 10 CBCE CNC(=O)[C@@H]1CNCCN1Cc1ccc(O)c(O)c1 89082079 JFHSXSOURWAYAY-JTQLQIEISA-N 265.313 -0.382 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)CC1(CO)COC1 384439899 XNCGFYZGXBECTQ-UHFFFAOYSA-N 279.340 -0.435 10 10 CBCE CNC(=O)NCCNC(=O)Cc1ccc(N)cc1 397423210 PJXWFBFGDBSPHO-UHFFFAOYSA-N 250.302 -0.144 10 10 CBCE COc1cccc(CN2CCOC[C@@]2(CN)CO)c1O 693978903 UYRYCZCQSOPZLV-CQSZACIVSA-N 282.340 -0.077 10 10 CBCE CCN(CC)c1ccc(CNC(C(N)=O)C(N)=O)cc1 695320335 KMMLGGSEZLRVIO-UHFFFAOYSA-N 278.356 -0.038 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2O)cc1 706754920 AKPBCFNYGUOXRV-VXGBXAGGSA-N 266.297 -0.086 10 10 CBCE CN(C)C[C@H](CO)NC(=O)Cc1ccc(N)cc1 716702960 USJCUBRZJKBMBX-GFCCVEGCSA-N 251.330 -0.150 10 10 CBCE O=C(NCCn1ncnn1)c1c(F)ccc(O)c1O 1611031895 IGXIRGXOBSACDF-UHFFFAOYSA-N 267.220 -0.347 10 10 CBCE CN1C(=O)C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1633979148 UKIUMVBMDDMNJP-QMMMGPOBSA-N 278.264 -0.486 10 10 CBCE Nc1ccc(OCC(=O)N2CCNC[C@@H](O)C2)cc1 1876484737 UTUIKLXNNGWSTE-LLVKDONJSA-N 265.313 -0.560 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CO[C@]2(CCOC2)C1 2058580069 NWYTVJPCTZKCSN-ZJUUUORDSA-N 255.278 -0.310 10 10 CBCE NC(=O)N1CC(CNC(=O)c2ccc(O)c(O)c2)C1 2124815433 XKYFHXMALVLOGO-UHFFFAOYSA-N 265.269 -0.162 10 10 CBCE O=C1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1 2132411377 USUHXURZCMBUMG-ZETCQYMHSA-N 266.253 -0.188 10 10 CBCE Nc1ccc(NC(=O)N2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2183652477 WNAHWECQGUWHMD-WDEREUQCSA-N 279.296 -0.393 10 10 CBCE COC(=O)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H](C)O 2188875714 SZOIUBUFBHCLLO-SSDLBLMSSA-N 285.252 -0.544 10 10 CBCE O=C(NC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1cc(O)c(O)c(O)c1 2188911919 GOFLQTYRHLPVOZ-RNFRBKRXSA-N 299.304 -0.424 10 10 CBCE CN[C@H]1COCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188917657 YORIWJJEOPSPOF-SECBINFHSA-N 282.296 -0.136 10 10 CBCE Nc1ccc(CC(=O)N2CC(N3CCNCC3)C2)cc1 2191676489 SJDGLVTVJKRFTF-UHFFFAOYSA-N 274.368 -0.073 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1C(=O)CCOc1ccc(N)cc1 2191729091 AMVANLGVTRIXHR-NWDGAFQWSA-N 279.340 -0.042 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(CO)c1 2220426574 FRZYZXFZFFUGSV-MFKMUULPSA-N 253.298 -0.023 10 10 CBCE CO[C@@H]1CCNC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2235503749 UKKZMFOVWXWLIL-LDYMZIIASA-N 282.296 -0.090 10 10 CBCE NCCCN(CCO)C(=O)c1ccc(O)c(O)c1 2255077190 URCNHQLDBMGFOX-UHFFFAOYSA-N 254.286 -0.119 10 10 CBCE O=C(NCCCOC1CNC1)c1cc(O)nc(O)c1 2337072730 MQACHJPVPLDYTM-UHFFFAOYSA-N 267.285 -0.399 10 10 CBCE Nc1cc2c(cc1N1CCNC(=O)CC1)NC(=O)CO2 62100422 GBINLSPNCUOEKB-UHFFFAOYSA-N 276.296 -0.074 10 10 CBCE N[C@H](C(=O)NC[C@H](O)CO)c1cc(F)ccc1O 83429635 IEBCVODGTGITQF-XVKPBYJWSA-N 258.249 -1.000 10 10 CBCE O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(O)c1O 125987036 QWIUAOXYUKNWCS-SVRRBLITSA-N 267.237 -0.242 10 10 CBCE COc1ccc(N2CCNC(=O)[C@H]2CN)c(OC)c1 217136120 XWEZUNFQYVWLIV-LLVKDONJSA-N 265.313 -0.033 10 10 CBCE CS(=O)(=O)NCC(=O)N1CCC[C@H](N=[N+]=[N-])C1 403718479 RVMRCKJRUPTXNM-ZETCQYMHSA-N 261.307 -0.163 10 10 CBCE COc1ccc(CNC(C(N)=O)C(N)=O)cc1C 695339781 GBQXHQJFIJQBSZ-UHFFFAOYSA-N 251.286 -0.568 10 10 CBCE CC(=O)C(=O)COC(=O)Cn1c(C)cc(O)cc1=O 808524892 KYAINWRXFBZBMX-UHFFFAOYSA-N 267.237 -0.436 10 10 CBCE COC(=O)[C@@H](N)[C@H](OC)c1cc(O)c(O)c(O)c1 1952305611 AYPJCILVXGPXJE-WCBMZHEXSA-N 257.242 -0.009 10 10 CBCE COC[C@@H](NCc1c(O)cccc1OC)C(N)=O 2042581875 WJLGCNLZLHJXMQ-SECBINFHSA-N 254.286 -0.009 10 10 CBCE C[C@H](c1c(O)cccc1O)N1CC(N)(C(N)=O)C1 2047099496 VQUVUYZYVJTKJE-SSDOTTSWSA-N 251.286 -0.343 10 10 CBCE CCO[C@@H]1CNCC[C@H]1NC(=O)c1cc(O)nc(O)c1 2146728829 FOMKYNOMTUIAOC-NXEZZACHSA-N 281.312 -0.010 10 10 CBCE CC(C)(O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2188039153 HRDJAXACIROTQV-LLVKDONJSA-N 283.280 -0.019 10 10 CBCE CO[C@H]1CN[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188918510 FRGNACJBGLWAHC-DTWKUNHWSA-N 282.296 -0.090 10 10 CBCE Cc1cc(N2CCNC(=O)[C@@H]2C(N)=O)ccc1[C@H](C)N 2285123336 DHHCNPRZZDCCCQ-CABZTGNLSA-N 276.340 -0.195 10 10 CBCE Oc1cccc2c1[C@H](C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)NCC2 83659980 UZSZEEBWDOJWFF-RJZRQDKASA-N 277.320 -0.008 10 10 CBCE NC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCc1ccc(N)cc1 103475768 AUTWUHCUGPLRRL-RYUDHWBXSA-N 277.324 -0.352 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](O)C1)NC(=O)CO2 236365893 BKEUSDQCOPLCDG-UWVGGRQHSA-N 265.269 -0.859 10 10 CBCE NC(=O)[C@@H]1CN(c2ccc(CO)c(Cl)c2)C[C@@H]1C(N)=O 693380811 ZDATYOVKNZAFIZ-AOOOYVTPSA-N 297.742 -0.145 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)CN1C(=O)CNC1=O 706098350 GMWKDKNSUUJJDI-SSDOTTSWSA-N 266.261 -0.161 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(CO)cc1 720602133 MTKSIJQUTQKUEG-UHFFFAOYSA-N 265.313 -0.523 10 10 CBCE COCCNCCN(C)C(=O)c1cc(O)nc(O)c1 721624738 RMAGUDQPYHFGRC-UHFFFAOYSA-N 269.301 -0.199 10 10 CBCE [N-]=[N+]=NCCCNS(=O)(=O)N1CCC[C@H]1CO 1998667350 VBKMMVUTYFSBJV-QMMMGPOBSA-N 263.323 -0.022 10 10 CBCE OC[C@@H]1COC[C@H]1NCc1ccc(O)c(O)c1O 2029851106 NKJAWUNUTWRMCV-RKDXNWHRSA-N 255.270 -0.100 10 10 CBCE CN(C(=O)CN1C[C@@H](O)CO1)c1ccc(N)cc1 2052300311 QXFGWKXWGRFBMU-LLVKDONJSA-N 251.286 -0.160 10 10 CBCE COc1cc(N2CC(CO)(CO)C2)ccc1CO 2084011587 DAAVDBICPBHROP-UHFFFAOYSA-N 253.298 -0.022 10 10 CBCE NC1CN(S(=O)(=O)NCCc2ccc(O)c(O)c2)C1 2102781239 VEKLSLHOWXACTF-UHFFFAOYSA-N 287.341 -0.882 10 10 CBCE C[C@]1(O)CON(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2149820668 SLCFHNCSCBTEKC-TVQRCGJNSA-N 282.296 -0.508 10 10 CBCE COC(=O)[C@@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2158998698 WXHMPFVQZGLLPJ-ZCFIWIBFSA-N 284.224 -0.761 10 10 CBCE N[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1CO 2178904920 AMFHFMSBXSRQJM-MNOVXSKESA-N 280.324 -0.192 10 10 CBCE C[C@@]1(CO)CNCCN1C(=O)COc1ccc(N)cc1 2191716529 LSFAWINSTLJVJU-AWEZNQCLSA-N 279.340 -0.170 10 10 CBCE C[C@]1(O)CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1O 2197969212 WPHOHJBNFBKWFF-MFKMUULPSA-N 283.280 -0.239 10 10 CBCE COc1cc(N2CC[C@](O)(CO)[C@H](O)C2)ccc1CO 2234092542 KSOSZBNTRIAKOG-KGLIPLIRSA-N 283.324 -0.518 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CCO[C@@]2(CO)C1 2239892617 QNEQPSJQHPEKQW-TVQRCGJNSA-N 280.280 -0.284 10 10 CBCE OC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)COCC2 2333687529 HAFGJZJXQSUEKM-MELADBBJSA-N 265.309 -0.338 10 10 CBCE O=C(CCNCCO)NCCc1ccc(O)c(O)c1 2342724866 PEPRKAIATTWNHK-UHFFFAOYSA-N 268.313 -0.272 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)[C@@H]4COC[C@@H]43)ccc2[C@@H]1O 2354373504 AAPSRHAFXHFAHT-MGAJPHDKSA-N 276.292 -0.132 10 10 CBCE NC(=O)CCNS(=O)(=O)Cc1ccc(N)cc1 36746716 AJKUQMJNUMUAJT-UHFFFAOYSA-N 257.315 -0.436 10 10 CBCE CNC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)O 108262679 BUWWLKJVNPWPGG-PELKAZGASA-N 265.313 -0.577 10 10 CBCE Cc1ccc(C(=O)N2CC[C@](O)(C(N)=O)C2)c(O)c1O 803165983 QTUCTDWFVGFLPT-CYBMUJFWSA-N 280.280 -0.531 10 10 CBCE C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccccc1O 1632246716 MLIFXPNZLLHKMJ-MRVPVSSYSA-N 289.295 -0.040 10 10 CBCE O=S1(=O)CCN[C@H](c2ccc(O)c(O)c2O)C1 1952600187 JZDLJIARDBXZAT-ZETCQYMHSA-N 259.283 -0.138 10 10 CBCE C[C@@H](NC(=O)[C@H](N)CC(N)=O)c1ccccc1O 2072481457 HNXYIVGZHWRZMM-VXNVDRBHSA-N 251.286 -0.228 10 10 CBCE CO[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1N 2122510060 NDHBVSNKADJJJE-BXKDBHETSA-N 266.297 -0.175 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2136336327 LZCVVIWFPNHQEW-HPXOCHMKSA-N 270.304 -0.252 10 10 CBCE CN(C[C@H](O)Cn1ccc2c(c1=O)CNCC2)C1CC1 2150800003 LUHOOTVZBIXZTP-ZDUSSCGKSA-N 277.368 -0.051 10 10 CBCE NC1CN([C@@H]2CCN(C(=O)c3ccc(O)c(O)c3)C2)C1 2158747379 XKRPUWDITGYYMX-LLVKDONJSA-N 277.324 -0.045 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H]2NCCNC2=O)cc1 2169194432 LLDLUCAKSVWMTC-GFCCVEGCSA-N 276.340 -0.543 10 10 CBCE O=C(N[C@H](C(=O)O)[C@H]1CCCO1)c1cc(O)nc(O)c1 2172514669 KFOCPHBQLCPAKC-XCBNKYQSSA-N 282.252 -0.145 10 10 CBCE CN(C)c1ccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)cc1 2177944833 OLTHETWLMSQHRT-RZFFKMDDSA-N 280.368 -0.055 10 10 CBCE NC(=O)C1(NC(=O)Cc2ccc(N)cc2)CCNCC1 2191678437 ITBRMKGDONFIMQ-UHFFFAOYSA-N 276.340 -0.465 10 10 CBCE COc1cc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1CN 2204557392 PAKKGCMLFXZEEW-PHIMTYICSA-N 275.308 -0.137 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCCO2 2226669478 UEIZXGXRJAIVSL-MBNYWOFBSA-N 265.309 -0.086 10 10 CBCE Nc1ccc(OCCN2CC[C@@](O)(CO)[C@H](O)C2)cc1 2234100921 NQCUTIFEVZCGRP-ZIAGYGMSSA-N 282.340 -0.562 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1C 2312398156 FQNGFAWVIACQAT-LOWVWBTDSA-N 253.298 -0.094 10 10 CBCE CSc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1CN 2353849712 QTLUNGSRYDTYPN-LOWVWBTDSA-N 284.381 -0.230 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCCNC(=O)C2)cc1 87882901 HLVMABIDNAJEMM-GFCCVEGCSA-N 279.340 -0.170 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c(F)c1 693397707 GGHQBSMAZDMVNW-RKDXNWHRSA-N 280.303 -0.693 10 10 CBCE O=C(CN1C[C@H](O)C[C@@H]1CO)c1ccc(O)c(O)c1 703885702 PHAWDVSLJXZFTA-NXEZZACHSA-N 267.281 -0.292 10 10 CBCE OC[C@@H]1O[C@H](Oc2ccc(C=S)cc2)[C@@H](O)[C@H]1O 1857790767 IVJZUONGYMGYSV-BJDJZHNGSA-N 270.306 -0.148 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2CNCCO2)cc1 1876521340 MLURDWVSGJMYRA-GFCCVEGCSA-N 265.313 -0.248 10 10 CBCE [N-]=[N+]=NCCCCNS(=O)(=O)C1CS(=O)(=O)C1 1912185556 RKQSHYUTPQNKJN-UHFFFAOYSA-N 282.347 -0.207 10 10 CBCE NC1CC(O)(CNC(=O)c2cccc(O)c2O)C1 2045134361 CFRGDBJRWXEKAP-UHFFFAOYSA-N 252.270 -0.320 10 10 CBCE C[C@H](c1ccc(O)cc1O)N1CC(N)(C(N)=O)C1 2047099081 OYXDEVKSJNAWEY-SSDOTTSWSA-N 251.286 -0.343 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 2071663407 FISDIPHQTPYBNQ-GDNZZTSVSA-N 267.354 -0.094 10 10 CBCE O=C1C[C@H](C(=O)O)N(C(=O)c2cccc(O)c2O)N1 2088092354 HWJFNNWWKAFKAU-ZCFIWIBFSA-N 266.209 -0.572 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CC(=O)NC1=O 2114739832 LZLQNTANHBVIFI-SSDOTTSWSA-N 264.237 -0.415 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cccc(O)c1O 2117487648 ZENNEYRKMNVWRN-OIBJUYFYSA-N 266.253 -0.530 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@H]2COC[C@H]21 2188937120 BDHIIIFOROLMHP-DTWKUNHWSA-N 280.280 -0.384 10 10 CBCE Cc1cc(NS(=O)(=O)C[C@@H](N)C(=O)O)ccc1O 2258187515 OROQITUZKXHASO-MRVPVSSYSA-N 274.298 -0.146 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H]3[C@H](O)CO)cc21 2286214240 OXLRJVOAZCKMPR-RAIGVLPGSA-N 277.324 -0.405 10 10 CBCE Cc1cn(CO[C@@H](CO)CN=[N+]=[N-])c(=O)[nH]c1=O 6072012 QHHGZUNIBSYYTP-SSDOTTSWSA-N 255.234 -0.510 10 10 CBCE COCCNS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 128395428 BHEJGPPOMZPEBB-UHFFFAOYSA-N 290.297 -0.017 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCS(=O)(=O)C1 243504161 NXDWJYXJRGUFCX-VIFPVBQESA-N 285.321 -0.056 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@@H]1COC[C@@H]1N 708126822 CUIKPLCCVXPXJO-DTWKUNHWSA-N 252.270 -0.104 10 10 CBCE O=C(NCC1OCCCO1)c1cc(O)nc(O)c1 716338348 YLQTWFRHIKFKJQ-UHFFFAOYSA-N 254.242 -0.014 10 10 CBCE CN(CC(=O)NCc1ccc(O)cc1O)S(C)(=O)=O 1570462417 SFXBXUKACOPXKB-UHFFFAOYSA-N 288.325 -0.395 10 10 CBCE Cc1cccc(CNCC(CO)(CO)CO)c1O 2059275141 QLAYNMAEIZCQKS-UHFFFAOYSA-N 255.314 -0.246 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)[C@H](F)C1 2068566248 IRHDCCGZLLNBHP-HZGVNTEJSA-N 257.217 -0.042 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(N)c1 2081010244 UNXRSNAMZIXFQQ-SDDRHHMPSA-N 254.286 -0.820 10 10 CBCE O=C(NC1([C@@H](O)CO)CC1)c1cc(O)c(O)c(O)c1 2133598873 GEDREQLYSJYCHI-VIFPVBQESA-N 269.253 -0.581 10 10 CBCE NCc1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)c(Cl)c1 2166792006 ZLSRFXCUPKMBQX-NXEZZACHSA-N 294.742 -0.398 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(N)c1 2273712815 ZAHYQFTUAJJUAX-JCOFBHIZSA-N 268.313 -0.572 10 10 CBCE Nc1ccc(CS(=O)(=O)N(CCO)CCO)cc1 40336092 DWUBJSPDUNZTSX-UHFFFAOYSA-N 274.342 -0.615 10 10 CBCE CN1CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1=O 84202649 XUGHCJZGFDWURU-JTQLQIEISA-N 293.323 -0.732 10 10 CBCE C[C@@](CO)(NC(=O)c1cccc(O)c1O)C(=O)O 313522878 QLKDEJVCIAZUEK-NSHDSACASA-N 255.226 -0.337 10 10 CBCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(O)c1O 697288591 ACJNSPKVAMXWGK-GXSJLCMTSA-N 287.337 -0.001 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)[C@H](CO)C1 699527454 IWWCMCKHXNHNQK-JTQLQIEISA-N 266.297 -0.154 10 10 CBCE CN(CCS(N)(=O)=O)C(=O)[C@H]1CNc2ccccc2N1 719670822 VKUFXPUCALXZDF-LLVKDONJSA-N 298.368 -0.361 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)Cn1ccnn1 1637560178 TTYSZQPMGIKUAO-SNVBAGLBSA-N 292.295 -0.591 10 10 CBCE CNS(=O)(=O)CC(=O)NCc1c(O)cccc1O 1639289442 QITDCHQAELUIEE-UHFFFAOYSA-N 274.298 -0.737 10 10 CBCE O=C(O)C1([C@H](O)c2cc(O)c(O)c(O)c2)CNC1 1951474085 VRBDHNPQQJAKFZ-SECBINFHSA-N 255.226 -0.489 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](CO)C1 1963565152 AYHUVGUILKVILU-SNVBAGLBSA-N 267.281 -0.140 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2cccc(O)c2O)C1 2057721032 RAKYGHRZIYYMDV-WPRPVWTQSA-N 273.310 -0.655 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)C[C@H]1CO 2136063572 XEYTWUGZNWJUSB-DTWKUNHWSA-N 268.269 -0.549 10 10 CBCE O=C(c1cc(O)nc(O)c1)N(C1CNC1)[C@@H]1CCOC1 2143767096 OIAXTDNYYSTHAB-SECBINFHSA-N 279.296 -0.304 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@@H]3[C@@H](O)CO)ccc21 2179795068 NLAWOZGAUGDCMR-AGIUHOORSA-N 277.324 -0.040 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@H](O)C[C@@H](O)C3)cc21 2183269924 RDJBNPQUEUPMEA-BREBYQMCSA-N 277.324 -0.405 10 10 CBCE CC[C@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2184140184 YNOITDPOBZFIDN-RYUDHWBXSA-N 277.324 -0.080 10 10 CBCE COC(=O)[C@H](N)CCNC(=O)c1cc(O)c(O)c(O)c1 2188921934 FEJOQDGSWDPBDE-SSDOTTSWSA-N 284.268 -0.576 10 10 CBCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CO)ccc2O1 2226699558 HIXVBKOQBQJWJO-XFOOOJQKSA-N 265.309 -0.087 10 10 CBCE CCN(CC(=O)O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 44624302 DYYFJNDOKBLURG-VIFPVBQESA-N 282.296 -0.099 10 10 CBCE COc1ccc(O)c(CN2CCNC[C@@H]2C(N)=O)c1 88659249 YTTPQMPKKXOLAA-LLVKDONJSA-N 265.313 -0.340 10 10 CBCE C[C@@H](NCC(O)(CO)CO)c1cc(O)ccc1O 1913799506 QLDUTXGKHQTIPU-MRVPVSSYSA-N 257.286 -0.536 10 10 CBCE O=[N+]([O-])c1cc2c(cc1N1C[C@H](O)[C@H](O)C1)OCCO2 1917256553 JISPHYDAXKIKCP-AOOOYVTPSA-N 282.252 -0.092 10 10 CBCE CC(=O)C(=O)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 1919245477 WDRLVWXMWBYTME-UFBFGSQYSA-N 273.285 -0.201 10 10 CBCE O=c1c2c(ccn1CC1(CO)COC1)CCNC2 2033378996 NMUBCZOPMGYVNY-UHFFFAOYSA-N 250.298 -0.497 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1 2046514323 MLCCTTUYGVNDKN-IXOXFDKPSA-N 253.298 -0.355 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NCc1ccc(O)c(O)c1O 2117464334 XQOHJMALJRILKI-CPCISQLKSA-N 268.269 -0.464 10 10 CBCE NC[C@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2132410358 MLGYTRBWJKBLMT-QMMMGPOBSA-N 268.269 -0.397 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)ccc1CN 2139683245 SRLBEJBOEJNXLM-MDZLAQPJSA-N 268.313 -0.943 10 10 CBCE O=C1Nc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@H]4O)ccc2[C@@H]1O 2160704416 QCGDYPAUJMUPSJ-ZLUKUHHFSA-N 276.292 -0.398 10 10 CBCE NCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1F 2225728726 MEVJIISAQOAKIE-CHWSQXEVSA-N 270.304 -0.421 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)COCC2 2226710331 HAFGJZJXQSUEKM-MCIONIFRSA-N 265.309 -0.338 10 10 CBCE Nc1ccc(CCN2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2273711164 VNAQVPMGVJMTLC-XBFCOCLRSA-N 266.341 -0.543 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(O)(CCO)C3)cc21 2286176995 OYKMRIFDJASNSJ-GFCCVEGCSA-N 277.324 -0.404 10 10 CBCE COc1ccc(N2CC(=O)N(CC(=O)O)C(=O)C2)cc1 74413553 QWXVRPXQADYVBE-UHFFFAOYSA-N 278.264 -0.045 10 10 CBCE CN1C(=O)C[C@@H](NCc2cc3c(cc2O)OCO3)C1=O 88776214 QXXWHFPRMYMMIY-MRVPVSSYSA-N 278.264 -0.032 10 10 CBCE NC(=O)N1CC(NC(=O)c2cccc(O)c2O)C1 1917782113 OAIRTESWDWPGTF-UHFFFAOYSA-N 251.242 -0.410 10 10 CBCE NC[C@@H]1COC[C@H]1NC(=O)c1ccc(O)c(O)c1 2029839880 CMNZIGWREUCCCL-RKDXNWHRSA-N 252.270 -0.199 10 10 CBCE NC(=O)[C@H]1C[C@@H](N)CN(C(=O)c2cccc(O)c2O)C1 2151040513 FKDVYSALDVFDRD-JGVFFNPUSA-N 279.296 -0.628 10 10 CBCE CC1(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC(O)C1 2182590474 KYVIZKKNRXQYMC-XIRUVYRFSA-N 280.324 -0.003 10 10 CBCE Nc1ccc(CC(=O)N2CCN(C3CNC3)CC2)cc1 2191676389 RHJVKEXGVHRHTF-UHFFFAOYSA-N 274.368 -0.073 10 10 CBCE OCc1cc(F)c(N2CC[C@@](O)(CO)[C@@H](O)C2)c(F)c1 2234094944 CYBZRVSECZPFJL-WCQYABFASA-N 289.278 -0.249 10 10 CBCE C[C@H](NCC1(O)CS(=O)(=O)C1)c1c(O)cccc1O 2267899928 GDIRRPJTRPJTKI-QMMMGPOBSA-N 287.337 -0.092 10 10 CBCE Cc1cc([C@@H](C)N)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CO 2333977455 QSTXXHLHNVGECQ-JXJLXUTGSA-N 266.341 -0.083 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@H](n2ccc(N)nc2=O)O[C@H]1CO 5663886 YIEFKLOVIROQIL-GKROBHDKSA-N 252.234 -0.216 10 10 CBCE CS(=O)(=O)NCCNC(=O)COc1ccc(N)cc1 40304069 GJDIKRYPSLICLW-UHFFFAOYSA-N 287.341 -0.687 10 10 CBCE C[C@H](N)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 132701601 ISZWXTJFPMHDSB-CBAPKCEASA-N 267.285 -0.319 10 10 CBCE O=C(N[C@@]1(CO)CCOC1)c1ccc(O)c(O)c1 393878591 HSTITDYZWCMLPL-GFCCVEGCSA-N 253.254 -0.021 10 10 CBCE O=C(C[C@@H]1CC(=O)NC1=O)NCc1ccc(O)c(O)c1 1150378526 SNZYPMZYLQWQLM-MRVPVSSYSA-N 278.264 -0.233 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC[C@@H](N)C(=O)O)cc1 1876465407 IQLUKUUKHNNZCD-SNVBAGLBSA-N 287.341 -0.510 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)cc1O 2046513963 JZEMBHOJAVAYAS-VNLLXPHSSA-N 255.270 -0.958 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CNCC[C@H]1O 2071717927 OMUZSWBSHNJUCO-VHSXEESVSA-N 250.302 -0.498 10 10 CBCE Cc1cccc(O)c1CN1C[C@H](O)[C@H](O)[C@@H]1C(=O)O 2136103954 UPCOINPILUQOOD-TUAOUCFPSA-N 267.281 -0.309 10 10 CBCE C[C@H](N)c1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1O 2146328076 CPNDLYCBSXJGEU-DUFXMDAXSA-N 282.340 -0.030 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2188874314 GBHBDVKXJINBII-GJOTXNKNSA-N 281.264 -0.631 10 10 CBCE Cc1cc(CO)ccc1N1CC[C@](O)(CO)[C@@H](O)C1 2225730044 ZCZFXEPYCGUQDJ-KBPBESRZSA-N 267.325 -0.218 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@H](C)N)c(O)c1 2234064144 GAUJLUNSPWJWQE-RHBIEUIISA-N 282.340 -0.031 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(Cl)c1 2273671853 JSRQMBDAZGHRFX-ICCXJUOJSA-N 287.743 -0.017 10 10 CBCE Nc1ccc(NC(=O)N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332922880 ITCKJCDPZQGLII-MXWKQRLJSA-N 267.285 -0.801 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2OC[C@H](CO)[C@H]2C1 2355692023 UWJAXMRCHSIZKD-IVZWLZJFSA-N 280.280 -0.428 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCNC(=O)C2)cc1 36669933 NMICRMBGNJGDPL-LLVKDONJSA-N 265.313 -0.560 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc(N)cc1 37824572 IKEKKASBKDVUMU-MNOVXSKESA-N 263.297 -0.742 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 38084962 CCYMNCNFOBDUMQ-LBPRGKRZSA-N 297.380 -0.257 10 10 CBCE CS(=O)(=O)CC(=O)NCc1cc(N)ccc1O 70127372 GIKRRLZQPRLIQR-UHFFFAOYSA-N 258.299 -0.365 10 10 CBCE CCNS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 126045349 ZARYNNIFYWXTMA-UHFFFAOYSA-N 286.357 -0.590 10 10 CBCE Cn1cc(S(N)(=O)=O)cc1C(=O)NCCN=[N+]=[N-] 701275597 OTMBQKANYZQCRO-UHFFFAOYSA-N 272.290 -0.287 10 10 CBCE NC(=O)N1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 721725772 OZDIIVTUQPJACZ-UHFFFAOYSA-N 298.368 -0.205 10 10 CBCE Cn1cc(CNC(=O)c2cccc(O)c2O)c(O)nc1=O 1632742799 BXTXFCDOBMJBLK-UHFFFAOYSA-N 291.263 -0.173 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CO[C@@H]2CNC[C@@H]12 1876501110 XGFZWIDQVMEILB-JMJZKYOTSA-N 262.313 -0.234 10 10 CBCE CC(=O)NCCNC(=O)CN1CC[C@H](CN=[N+]=[N-])C1 1912191737 VPIYHOVROAXEBC-SNVBAGLBSA-N 268.321 -0.129 10 10 CBCE Nc1ccc(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(=O)O)cc1 1924750034 CLBBWZYBONLQJT-NXEZZACHSA-N 298.320 -0.047 10 10 CBCE C[C@@H](CS(N)(=O)=O)NCc1ccc(O)c(O)c1 1947446656 QPWUGZLVJHOBGN-ZETCQYMHSA-N 260.315 -0.136 10 10 CBCE NC[C@@H]1COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132410695 PCJKBFDHWAQUPN-HTQZYQBOSA-N 268.269 -0.493 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2C(=O)NC[C@H]2C(=O)O)cc1 2144406816 QFHKKSPCQROULY-MWLCHTKSSA-N 277.280 -0.873 10 10 CBCE CN1CCN(C)[C@H](C(=O)NCc2cc(N)ccc2O)C1 2155756384 FOUUXEQBNZVOPO-LBPRGKRZSA-N 278.356 -0.164 10 10 CBCE COC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(N)cc1 2159005188 SGXQSRUQIFMESU-JTQLQIEISA-N 280.280 -0.056 10 10 CBCE NCCc1nc(NC(=O)COc2ccc(N)cc2)n[nH]1 2191889289 VGKPLFZFFWIWCF-UHFFFAOYSA-N 276.300 -0.094 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)[C@H](O)CC1 2284504445 MPTVDQQSAZESGN-TXEJJXNPSA-N 281.308 -0.016 10 10 CBCE CN(C(=O)CN1CC(O)(CCO)C1)c1ccc(N)cc1 2286170438 JAMLMKORDQCJLV-UHFFFAOYSA-N 279.340 -0.339 10 10 CBCE CN(NCc1ccc(O)c(O)c1O)S(C)(=O)=O 2301551087 TWLXZSJKKMYRSQ-UHFFFAOYSA-N 262.287 -0.301 10 10 CBCE CN1CCCc2cc(CNC(CO)(CO)CO)ccc21 234321711 QLJJFOQHFLVNOX-UHFFFAOYSA-N 280.368 -0.126 10 10 CBCE O=C(O)CN1CCN(Cc2ccc(O)cc2O)CC1=O 706569228 AOWSPFUAJHTFTL-UHFFFAOYSA-N 280.280 -0.173 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@H]3COC[C@H]3O)cc21 709222982 MSKYOAHXDGQYBX-YNEHKIRRSA-N 277.324 -0.141 10 10 CBCE COc1cccc(CNC(=O)c2nnc(O)nc2O)c1O 1465991780 FTHMMWRXPQVCCN-UHFFFAOYSA-N 292.251 -0.073 10 10 CBCE O=S(=O)(NCc1ccccc1O)N1CC(O)C1 1914117977 VYELCKNPMPLVGF-UHFFFAOYSA-N 258.299 -0.597 10 10 CBCE Nc1ccc(NC(=O)CN(CCO)C2COC2)cc1 1915539082 QGQFJUFVLYHQMH-UHFFFAOYSA-N 265.313 -0.100 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1[C@H]1CS(=O)(=O)C[C@@H]1O 2009446049 TVCFFOGZKQBGBL-CIUDSAMLSA-N 260.319 -0.081 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(O)cc1O 2053781445 XWZWZJPVGLLTAU-GXSJLCMTSA-N 252.270 -0.170 10 10 CBCE CNC[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2068622650 YZPTXNPBOTXHED-SSDOTTSWSA-N 256.258 -0.887 10 10 CBCE NC(=O)[C@H]1CCN1c1cc2c(cc1N)OCC(=O)N2 2089370593 XGLCQNLHBLUOOD-MRVPVSSYSA-N 262.269 -0.336 10 10 CBCE COC[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 2096068677 QPKYBICINVMKBJ-JTQLQIEISA-N 287.341 -0.812 10 10 CBCE O=C1N[C@H]2CN(Cc3ccccc3O)C[C@@H]2NC1=O 2110484589 SQERQWMNVWKCDW-UWVGGRQHSA-N 261.281 -0.809 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 2121367299 GTHHLAVVMGXFMD-GHMZBOCLSA-N 284.337 -0.915 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1N 2132413742 PTZMSGOVZZHXFQ-XVKPBYJWSA-N 268.269 -0.399 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N(C1CNC1)C1COC1 2144023274 HUUKUCAINUYLDP-UHFFFAOYSA-N 278.308 -0.161 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@]1(O)CCCNC1 2157519414 SSRYPWJJIOETIQ-AWEZNQCLSA-N 280.324 -0.129 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC2(C1)OC[C@H](O)[C@H]2O 2183722030 MODLHESBXJODOJ-WDEREUQCSA-N 281.264 -0.956 10 10 CBCE NC[C@@]1(O)CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2191540328 JKAFGQVTSIUOOB-ZDUSSCGKSA-N 299.396 -0.116 10 10 CBCE CNCc1cc(OC)ccc1N1CC(O)(C(N)=O)C1 2227678255 SVKSLULZMRQPOU-UHFFFAOYSA-N 265.313 -0.549 10 10 CBCE COc1cc(N2CC3(CNC(=O)CO3)C2)ccc1CN 2289725067 OCOLEXWCGRYGLQ-UHFFFAOYSA-N 277.324 -0.141 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1[C@@H](C)O 2334469002 VWXBXZGEZXECBI-JXJLXUTGSA-N 267.325 -0.049 10 10 CBCE CO[C@@H](CN)C(=O)N1CCc2cc(O)c(O)cc2C1 2341194061 MUZKDMJIVGCSEK-LBPRGKRZSA-N 266.297 -0.044 10 10 CBCE CC(C)(N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40924845 UPHODODQWFNXOC-QMMMGPOBSA-N 282.296 -0.053 10 10 CBCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1cn(CCO)nn1 90637907 SEPUYVKUVUPZGL-SSDOTTSWSA-N 255.238 -0.704 10 10 CBCE O=C(NCC[C@@H](O)C(=O)O)c1cccc(O)c1O 236532997 FMWKTVCQFRWJSV-MRVPVSSYSA-N 255.226 -0.337 10 10 CBCE Cn1ncc(CN(CC(N)=O)Cc2ccc(N)cc2)n1 312853555 GPSUZMFPVQLPMZ-UHFFFAOYSA-N 274.328 -0.115 10 10 CBCE CNS(=O)(=O)CCNC(=O)Cc1ccc(O)c(O)c1 1638844688 OCKQKBFHYRHNTO-UHFFFAOYSA-N 288.325 -0.694 10 10 CBCE O=C(CCN1C(=O)CSC1=S)NCCOCCO 1865765204 VHCIQFCRSLLJLD-UHFFFAOYSA-N 292.382 -0.638 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCNC2)cc1 1876404193 SMFWKPHCPHJIGS-NSHDSACASA-N 285.369 -0.071 10 10 CBCE NS(=O)(=O)NCCNCc1ccc2c(c1)CCO2 1964065985 ZOWVJYUHIPSIAM-UHFFFAOYSA-N 271.342 -0.496 10 10 CBCE Nc1cccc(F)c1N[C@H]1CS(=O)(=O)C[C@@H]1O 2008560570 LNQJKOUESIRIPB-IUCAKERBSA-N 260.290 -0.022 10 10 CBCE CCC(CO)(CO)NC(=O)Cc1ccc(O)c(O)c1 2087725942 BLLUYHXDMGAKMD-UHFFFAOYSA-N 269.297 -0.110 10 10 CBCE NC(=O)C(F)(F)CNC(=O)COc1ccc(N)cc1 2089757782 GGAZCHNKTMYCEB-UHFFFAOYSA-N 273.239 -0.116 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1 2118077389 JEVWNLUICYTWJF-PJXYFTJBSA-N 280.349 -0.030 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H]3NC(=O)O[C@H]3C2)cc1 2176919672 GCANFYAFAANHDL-QWRGUYRKSA-N 277.280 -0.033 10 10 CBCE O=C(O)C1=C[C@@H](O)[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2188069214 ZASFWQVFARLCHF-PSASIEDQSA-N 279.248 -0.028 10 10 CBCE Cc1cc([C@@H](C)N)ccc1N(CC(N)=O)CC(N)=O 2232035781 ODVLGUAXQKBHJH-SECBINFHSA-N 264.329 -0.208 10 10 CBCE COc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(CN)c1 2235967022 AQKWMQAGDNZXGK-PHIMTYICSA-N 275.308 -0.137 10 10 CBCE CCOc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2312393895 RCARXFMRIMPYLH-UPJWGTAASA-N 253.298 -0.012 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2354485761 RAVPMGRMPWEUKH-MSRLKIHKSA-N 277.324 -0.367 10 10 CBCE CN1CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 40457773 SVYQCAUSGHVYOO-NSHDSACASA-N 279.340 -0.258 10 10 CBCE CN1C[C@H](NCc2cc3c(cc2O)OCO3)C(=O)N1 393925368 QYAHHBIQAFARNO-QMMMGPOBSA-N 265.269 -0.444 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)[C@H](CO)C1 699535094 DADFRUQRCZQGAW-VIFPVBQESA-N 267.285 -0.759 10 10 CBCE CC(=O)C(=O)COC(=O)c1cnc2[nH]c(O)nc2c1 808634965 LGJLITLWIDMUPE-UHFFFAOYSA-N 263.209 -0.022 10 10 CBCE CN1CC[C@H](C(=O)NCc2ccc(N)cc2)S1(=O)=O 843255650 BPJWEFYFKJFOHC-LLVKDONJSA-N 283.353 -0.081 10 10 CBCE NC(=O)N[C@H](CO)C(=O)NCc1c(O)cccc1F 1456028558 JIQHYCDRDAPUAI-MRVPVSSYSA-N 271.248 -0.823 10 10 CBCE O=C(NCc1c(O)cccc1O)C1=NN2CCCN=C2N1 1472063301 GVYHIGYGVJSTFM-UHFFFAOYSA-N 289.295 -0.308 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCC(O)(CO)CC1 1628810706 FATXENUKQXJKFI-UHFFFAOYSA-N 281.308 -0.014 10 10 CBCE COC[C@@](O)(CO)CNCc1ccc(O)c(O)c1 2040782682 SHTMKCRBPXLYGE-LBPRGKRZSA-N 257.286 -0.443 10 10 CBCE C[C@@H](O)[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2068579469 XNKPNEKQTOYEBW-ANLVUFKYSA-N 257.242 -0.725 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1O 2089918334 GYNMIHUVTZIIDL-SKDRFNHKSA-N 266.297 -0.155 10 10 CBCE COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c(O)c1 2121364862 QVDQUAGLWVEMMX-PWSUYJOCSA-N 287.337 -0.352 10 10 CBCE COC[C@H](CCN)NC(=O)c1cc(O)c(O)c(O)c1 2132411073 RXNOSSCYYFKEJC-QMMMGPOBSA-N 270.285 -0.103 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@@H](O)[C@H]1O 2177942940 CJKZWWKGGJPDNW-NZBPQXDJSA-N 279.336 -0.186 10 10 CBCE CCOCCOCCOCCOc1nnc(=N)[nH]n1 2231117594 DSBDLBHEDRRQEH-UHFFFAOYSA-N 273.293 -0.872 10 10 CBCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CO 2232028815 QSTXXHLHNVGECQ-VZLIPTOUSA-N 266.341 -0.083 10 10 CBCE CN1CCc2cc(N3CC4(C3)OC[C@@H](O)[C@@H]4O)ccc21 2235126654 JLTLWCIIQMHWJQ-KGLIPLIRSA-N 276.336 -0.010 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CCCN2C2CNC2)C1 2271810740 FNODOZRFMKXZQZ-NHCYSSNCSA-N 265.357 -0.312 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)ccc1CN 2273781673 JSGMXTFOHQWNSO-FPMFFAJLSA-N 266.341 -0.396 10 10 CBCE COc1cc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)ccc1CN 2289485135 HYJJKIRRKAETRT-VHRBIJSZSA-N 282.340 -0.696 10 10 CBCE COc1cc2c(c(O)c1OC)[C@H]([C@@H](O)CO)NCC2 75823310 BJRJXDNNDMHECU-KWQFWETISA-N 269.297 -0.051 10 10 CBCE CN1C(=O)CN(c2ccc([C@H](N)CO)cc2)CC1=O 258413584 LHUKDTWJGTXYAI-LLVKDONJSA-N 263.297 -0.516 10 10 CBCE COCC1(O)CN(CC(=O)c2ccc(O)c(O)c2)C1 384028630 FFIUIMGCEHPAFQ-UHFFFAOYSA-N 267.281 -0.026 10 10 CBCE C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C[C@@H]1O 388136108 ZRMGSNGXCPGEBT-DVYJOKAKSA-N 280.324 -0.193 10 10 CBCE O=C(N[C@@H]1CCNC1=O)[C@@H]1CNc2ccccc2N1 693906185 FRSJZTSLJFXDOL-MNOVXSKESA-N 260.297 -0.103 10 10 CBCE O=C(N[C@@H]1C[C@H](O)[C@H](O)C1)c1cccc(O)c1O 1638747510 ZJFJHPUHCHXRBT-DSIYZXSISA-N 253.254 -0.288 10 10 CBCE CC(=O)c1ccc(O)c(CN2CC(O)(C(N)=O)C2)c1 1915317954 RUGBDZCBHBQWKK-UHFFFAOYSA-N 264.281 -0.373 10 10 CBCE O=S1(=O)CC[C@H](CNCc2ccc(O)c(O)c2)N1 2029510932 QCXNKJPEBBUDRP-SECBINFHSA-N 272.326 -0.121 10 10 CBCE COC[C@@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C1 2095406119 NIWAOKHRKLTXKZ-GFCCVEGCSA-N 268.269 -0.284 10 10 CBCE NCc1ccc(N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 2114810510 SJHOKNLMORHTRX-NSHDSACASA-N 260.297 -0.114 10 10 CBCE C[C@H](O)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 2117531669 QOLUETASJZMVMZ-IONNQARKSA-N 268.269 -0.285 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCC(CO)CO 2127924413 PLIARQKQAYAKGH-UHFFFAOYSA-N 269.297 -0.253 10 10 CBCE O=C1C[C@@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)CN1 2163336911 YVCCLRPTOMJJET-ZDUSSCGKSA-N 277.280 -0.155 10 10 CBCE C[C@@](O)(CO)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2202854953 XPIVWFAZMDKOON-TVQRCGJNSA-N 282.296 -0.302 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2273791234 PVZDNCUOPTXWCU-XDTLVQLUSA-N 271.288 -0.532 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2C(N)=O)cc1F 129289185 INIAPVNCYPGCOR-LLVKDONJSA-N 253.277 -0.025 10 10 CBCE O=C1NCC[C@H]1NC(=O)[C@H]1CNc2ccccc2N1 693906184 FRSJZTSLJFXDOL-GHMZBOCLSA-N 260.297 -0.103 10 10 CBCE O=C(NC[C@@H]1CNC[C@@H]1O)c1ccc(O)c(O)c1 702849366 BKHRLBRZYNUKQC-KWQFWETISA-N 252.270 -0.592 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@@H]3COC[C@H]3O)cc21 709222974 MSKYOAHXDGQYBX-JHJVBQTASA-N 277.324 -0.141 10 10 CBCE Nc1ccc(CC(=O)NCC2(S(N)(=O)=O)CC2)cc1 713945555 XRAWSYOGZAVOGX-UHFFFAOYSA-N 283.353 -0.251 10 10 CBCE C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)c1ccccc1O 1557966722 OFBBVAVPVJAKMR-MRVPVSSYSA-N 289.295 -0.040 10 10 CBCE O=C1NCC[C@@H]1C(=O)NCc1cc(O)ccc1O 1633599260 VLQXSPKVUUYUAL-VIFPVBQESA-N 250.254 -0.150 10 10 CBCE CC(CO)(CO)Cn1ccc2c(c1=O)CNCC2 2033378984 NJMCXVDZBUPVFG-UHFFFAOYSA-N 252.314 -0.515 10 10 CBCE O=C1C[C@@H](C(=O)O)N(C(=O)c2cccc(O)c2O)N1 2088092353 HWJFNNWWKAFKAU-LURJTMIESA-N 266.209 -0.572 10 10 CBCE C[C@H](NCC(CO)(CO)CO)c1c(O)cccc1O 2123209492 IEOUOZAAQZGYNU-VIFPVBQESA-N 271.313 -0.288 10 10 CBCE O=C(NC[C@@H]1CNC[C@H]1O)c1cc(O)c(O)c(O)c1 2132400687 OMADBQYNRWXKQZ-OIBJUYFYSA-N 268.269 -0.887 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@H]1[C@@H](O)[C@H](O)C2 2190187497 FVQKKADVEZXAOT-APOZVJGGSA-N 280.280 -0.409 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1CCNC(=O)[C@@H]1C(N)=O 2240835346 BUWFUJUIXOWLMK-CABZTGNLSA-N 277.324 -0.162 10 10 CBCE O=C(N[C@H]1CO[C@@H]2CNC[C@@H]21)c1ccc(O)c(O)c1 2330885480 OWJPGKVIDSUKQM-VDDIYKPWSA-N 264.281 -0.186 10 10 CBCE O=C1N[C@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4O)C[C@H]2O1 2355586458 IDUOASIBHHUAJG-HBNTYKKESA-N 275.264 -0.031 10 10 CBCE Cc1ccc([C@@H](N)C(=O)NCCOCCO)c(O)c1 83497405 MBNCDKLPYPKVKO-GFCCVEGCSA-N 268.313 -0.174 10 10 CBCE N[C@@H](c1nnc([C@H](O)CO)o1)c1cc(F)ccc1O 83512408 IQWVQFWKOKRRQQ-RKDXNWHRSA-N 269.232 -0.012 10 10 CBCE CN1CCN(NC(=O)c2cccc(O)c2O)CC1 126515825 MDVVRZOYOKWOJJ-UHFFFAOYSA-N 251.286 -0.010 10 10 CBCE O=C(CO)NCCC(=O)NCc1cccc(O)c1O 1153798354 PRQMRHHFXBWWKE-UHFFFAOYSA-N 268.269 -0.787 10 10 CBCE CN(CCN)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329945234 FHALEZMXGNNTPB-UHFFFAOYSA-N 263.297 -0.349 10 10 CBCE C[C@@H](O)C1(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 1913496904 BBJQEDWVTGYYIX-SCZZXKLOSA-N 280.324 -0.003 10 10 CBCE O=C1C[C@@H](c2ccc(O)c(O)c2)[C@H](C(=O)O)C(=O)N1 1951735235 OWHABIJQECRISC-WKEGUHRASA-N 265.221 -0.071 10 10 CBCE C[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)N1CCNCC1 2049785010 UOECAFHPXCNGGS-DCAQKATOSA-N 253.346 -0.454 10 10 CBCE CCO[C@H]1CNC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049785032 UWGULSYNIJBLKV-BFLSOPEQSA-N 254.330 -0.124 10 10 CBCE CCNC(=O)CNC(=O)c1cc(O)c(O)c(O)c1 2068565701 FCXCHFZHNWYHIB-UHFFFAOYSA-N 254.242 -0.331 10 10 CBCE COc1cc(N2CC(O)(C(N)=O)C2)ccc1CN 2084015943 ISUXYFQCTFYVKE-UHFFFAOYSA-N 251.286 -0.810 10 10 CBCE COc1cc(N2CC[C@@](O)(C(N)=O)C2)ccc1CO 2139683103 QSTVMGBVBSIICB-ZDUSSCGKSA-N 266.297 -0.386 10 10 CBCE CO[C@H]1C[C@H](N)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188908253 BCVNIFYXUKZEPU-IUCAKERBSA-N 282.296 -0.008 10 10 CBCE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1c(N)cccc1C(N)=O 2192673297 DFCYHVLQDUOLAU-VHSXEESVSA-N 298.368 -0.835 10 10 CBCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@H]2CO)c1 2201050845 AZTROZUMWGGDFB-XBFCOCLRSA-N 281.308 -0.507 10 10 CBCE Nc1ccc(CCN2CC[C@](O)(CO)[C@H](O)C2)cc1 2225730930 BCPAAPVSUWNZAK-KGLIPLIRSA-N 266.341 -0.399 10 10 CBCE O=C1Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)ccc2[C@H]1O 2331803187 HCDAHNWVCGMRBY-GRYCIOLGSA-N 264.281 -0.396 10 10 CBCE CC(C)(NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 40673923 JSUQOFJDIVBFOT-UHFFFAOYSA-N 271.342 -0.048 10 10 CBCE O=C(O)C[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 80393113 AQTHSRUNYMFFJO-LURJTMIESA-N 269.209 -0.245 10 10 CBCE COC1(CNC(=O)c2cc(O)nc(O)c2)CCNCC1 312821781 SZETYMGHCNXSOF-UHFFFAOYSA-N 281.312 -0.009 10 10 CBCE Cc1ccc(NNC=C2C(=O)NC(=S)NC2=O)nc1 727489934 BSGDNQWZFSDEOP-UHFFFAOYSA-N 277.309 -0.279 10 10 CBCE O=C(c1cc(O)nc(O)c1)N(CCO)C1COC1 1915681140 XOIBXHCNVBEHJR-UHFFFAOYSA-N 254.242 -0.674 10 10 CBCE O=C1C[C@H](c2ccc(O)c(O)c2O)[C@@H](C(=O)O)N1 1951958297 YCMDPQNKYADGBB-XRGYYRRGSA-N 253.210 -0.140 10 10 CBCE N[C@H]1COC[C@H]1CNC(=O)c1cccc(O)c1O 2036569442 VBFAYLCBOKEIDC-APPZFPTMSA-N 252.270 -0.199 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1COCC[C@@H]1N 2071696590 ZVIVVGQLOJODOB-WPRPVWTQSA-N 250.302 -0.104 10 10 CBCE Nc1ccc(CCC(=O)NCCNS(N)(=O)=O)cc1 2101325248 XMWHZYBNFZJTEN-UHFFFAOYSA-N 286.357 -0.889 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(N)c1 2127271168 ZZMJQKKSLVDWKE-NEPJUHHUSA-N 266.297 -0.412 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1ccc(CO)cc1Cl 2127700004 HOFSWESFPDQTAW-SNVBAGLBSA-N 283.715 -0.378 10 10 CBCE CN(CC(CO)CO)c1ccc2c(c1)N(C)C(=O)[C@@H]2O 2150417268 ZDDOGIZKHICBBU-CYBMUJFWSA-N 280.324 -0.267 10 10 CBCE CC1(C)[C@H](O)[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2181217524 XTIKWNBTIYFOAC-DGCLKSJQSA-N 281.308 -0.017 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H]2[C@@H](O)CO)cc1 2270702646 CLZDJGUVMUGVID-RYUDHWBXSA-N 266.297 -0.398 10 10 CBCE CSc1ncc(CNC[C@H]2NC[C@@H](O)[C@H]2O)s1 2298470013 WULQWSJWPXWIEB-HLTSFMKQSA-N 275.399 -0.352 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H](N)CC(N)=O 37823792 AQASOZLPLDQHEH-VIFPVBQESA-N 251.286 -0.447 10 10 CBCE Cn1nc(NCCc2ccc(N)cc2)c(=O)n(C)c1=O 40675834 UVVMZKANRNBLKV-UHFFFAOYSA-N 275.312 -0.284 10 10 CBCE Cc1ccc(O)c([C@@H](N)C(=O)NCCOCCO)c1 83497401 JZNVBIGWCBFGLB-GFCCVEGCSA-N 268.313 -0.174 10 10 CBCE O=C(O)[C@@H]1CNCCN1Cc1ccc(O)c(O)c1 88658440 GRMRPBMUDYUKEK-VIFPVBQESA-N 252.270 -0.044 10 10 CBCE O=C(NC[C@H]1C[C@H]1C(=O)O)c1cc(O)nc(O)c1 715309949 RABRFJURNUXMFD-RNFRBKRXSA-N 252.226 -0.057 10 10 CBCE NC(=O)C1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 716720893 MSFFNNQVGLQHCV-UHFFFAOYSA-N 283.353 -0.048 10 10 CBCE C[C@H](NS(C)(=O)=O)C(=O)NCc1cc(O)ccc1O 1153885355 MGRLFWAMKWTZGT-ZETCQYMHSA-N 288.325 -0.348 10 10 CBCE [N-]=[N+]=N[C@@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@@H](O)[C@H]1F 1857788308 PCPGVUKMIADCCP-XQXXSGGOSA-N 286.223 -0.705 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1CO 2080937767 HXBTWWPGYIHELZ-FRRDWIJNSA-N 253.298 -0.610 10 10 CBCE CO[C@H]1CNCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2090583013 JPXATWVBMYJQMK-IUCAKERBSA-N 267.285 -0.401 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CNC[C@H]1O 2132409316 DQTSPZQYFKFTSK-GMSGAONNSA-N 268.269 -0.792 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1 2144396354 XNUCOQUOVXGNFG-LLVKDONJSA-N 297.380 -0.052 10 10 CBCE C[C@H](CS(N)(=O)=O)NC(=O)[C@H]1CNc2ccccc2N1 2152961854 SBGKEJDDPYSUCQ-LDYMZIIASA-N 298.368 -0.314 10 10 CBCE CCNCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2184137932 RHGSRELBQRQBBR-LBPRGKRZSA-N 276.340 -0.414 10 10 CBCE C[C@@H](O)[C@@H]1C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2356034821 IOGXKZWIZSWOGC-GRLWKWRFSA-N 280.324 -0.147 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1cccc(F)c1O 83413935 MCSBTHFUDDOMFI-VIFPVBQESA-N 256.233 -0.180 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc(/C=C\C(=O)O)cc1 213065819 KPKILWQRVZMGQR-UTCJRWHESA-N 277.280 -0.439 10 10 CBCE CO[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)C[C@H]1O 396004379 GDMAKMMTFXFKIA-MRVWCRGKSA-N 282.340 -0.300 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCOC[C@@H](O)C2)cc1 399872990 QOBMFLRMHDMKLC-STQMWFEESA-N 282.340 -0.298 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 723198959 NGHYYAQCHQKTGY-FXAINCCUSA-N 276.340 -0.271 10 10 CBCE O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1Cc2cccc(O)c2C1 1632708730 DRRUBCAWDCZGGQ-MGPQQGTHSA-N 291.303 -0.353 10 10 CBCE CN(CC(=O)NCc1c(O)cccc1O)S(C)(=O)=O 1647268794 CPCULLGGKCRRQM-UHFFFAOYSA-N 288.325 -0.395 10 10 CBCE CO[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1N 1876495722 SJNYWDIVHKAPSG-NWDGAFQWSA-N 265.313 -0.168 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@@H]1CCNC1=O 1916797835 CXCONXHEXYLWAC-GHMZBOCLSA-N 261.281 -0.003 10 10 CBCE O=C(N[C@@H]1C[C@@H](O)C[C@H]1O)c1cccc(O)c1O 2046405164 GBDLLKAUPQZJGY-GTNGPMTGSA-N 253.254 -0.288 10 10 CBCE CC1(C)OCCO[C@H]1[C@H](NCCN=[N+]=[N-])C(N)=O 2076656527 OOZCQPBTOJMDLT-YUMQZZPRSA-N 257.294 -0.066 10 10 CBCE N[C@@H]1C[C@H](O)[C@H](CNC(=O)c2ccc(O)c(O)c2)C1 2096480949 PRHJHINGGGRARU-QXEWZRGKSA-N 266.297 -0.074 10 10 CBCE Nc1ccc(CCN2CCN(CCO)C(=O)C2)cc1 2114626697 MXTRUWBJIONSPT-UHFFFAOYSA-N 263.341 -0.052 10 10 CBCE NC(=O)N1CC(CNS(=O)(=O)Cc2ccc(N)cc2)C1 2181221601 KBZFZUJSQCTNGE-UHFFFAOYSA-N 298.368 -0.301 10 10 CBCE C[C@@]1(O)CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1O 2197969211 WPHOHJBNFBKWFF-GXFFZTMASA-N 283.280 -0.239 10 10 CBCE N=c1nnc(OC[C@@]23CCC[C@]2(F)CNC3)n[nH]1 2219012344 GHXKNUKFYTYTOU-UWVGGRQHSA-N 254.269 -0.460 10 10 CBCE CNC1(COc2nnc(=N)[nH]n2)CC2(CCC2)C1 2219013638 VOFHUBDTHFEGRE-UHFFFAOYSA-N 250.306 -0.020 10 10 CBCE O=C(N[C@@H]1CNC[C@H](F)C1)c1cc(O)nc(O)c1 2219133742 OAACKXLZVBUDCT-SFYZADRCSA-N 255.249 -0.077 10 10 CBCE CO[C@@H]1[C@H](O)C[C@H]1NC(=O)c1cccc(O)c1O 2258674238 CECSCPBEKCIRAT-ZOFUNIGCSA-N 253.254 -0.024 10 10 CBCE OC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OCF)cc1 2313512168 WAONGOLBQOFZBP-SDDRHHMPSA-N 257.261 -0.105 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@H]3CO)ccc21 2332924484 MXHQAZNGNXEFLP-SYQHCUMBSA-N 264.325 -0.465 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC([C@@H](O)CO)C2)cc1 2336776479 PJWHEOGQKGBDEO-LBPRGKRZSA-N 286.353 -0.616 10 10 CBCE CN(C(=O)CNS(C)(=O)=O)c1ccc(N)cc1 310280625 KUXMBGWNLQWFFJ-UHFFFAOYSA-N 257.315 -0.219 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)[C@@H](CO)C3)ccc21 704795825 JKDRBRMUBUEKOZ-RWEMILLDSA-N 277.324 -0.325 10 10 CBCE CN1CC[C@H](C(=O)NCCc2ccc(N)cc2)S1(=O)=O 843341851 IROVZRXIPIVCCG-GFCCVEGCSA-N 297.380 -0.039 10 10 CBCE CN1C[C@H](C(=O)NCc2ccccc2O)NCC1=O 1340339072 DHFWTRIJSCDLKT-SNVBAGLBSA-N 263.297 -0.561 10 10 CBCE CN1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)N1 1631567641 YVKPQKDKEHUHEC-MRVPVSSYSA-N 265.269 -0.898 10 10 CBCE CCN(CCO)C(=O)c1nnn(-c2ccc(N)cc2)n1 1857878505 FIWORLRVQGXHGR-UHFFFAOYSA-N 276.300 -0.301 10 10 CBCE Nc1ccc(CNS(=O)(=O)N2CC[C@H](O)C2)cc1 1914136689 CPQKAQYANKORHB-NSHDSACASA-N 271.342 -0.330 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2136346292 YRGMXTOCOMOFQB-AGIUHOORSA-N 270.304 -0.552 10 10 CBCE COC(=O)[C@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2159001259 WXHMPFVQZGLLPJ-LURJTMIESA-N 284.224 -0.761 10 10 CBCE O[C@H]1CCc2cc(N3CC4(C3)OC[C@@H](O)[C@@H]4O)ccc21 2184732060 PSEGFHVYDUSQHU-MJBXVCDLSA-N 277.320 -0.023 10 10 CBCE O=C(N[C@H]1CCO[C@H](C(=O)O)C1)c1cc(O)nc(O)c1 2194366935 TUSYBIZIDMGWDL-YUMQZZPRSA-N 282.252 -0.145 10 10 CBCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1ccc(=O)n(C)c1 2224797289 WEHIKWIEWIHIMF-WDEREUQCSA-N 263.297 -0.634 10 10 CBCE Nc1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@H](CO)C2)c1 2273791137 ISTGNVZPZGUWAP-TVYUQYBPSA-N 268.313 -0.880 10 10 CBCE CC(C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459865 GSONLSJCPLVKPY-JTQLQIEISA-N 295.339 -0.392 10 10 CBCE Nc1ncn(CC(=O)NCc2cc(O)ccc2O)n1 1176754359 BGOFAMROGWXVRE-UHFFFAOYSA-N 263.257 -0.412 10 10 CBCE COC[C@@H](NC(=O)c1c(F)ccc(O)c1O)C(N)=O 1611058838 HIOIPHNASFTSTM-ZCFIWIBFSA-N 272.232 -0.533 10 10 CBCE NC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CC1 1636226233 AKEHXOZKQOAUDC-UHFFFAOYSA-N 250.254 -0.226 10 10 CBCE CC(=O)C(=O)[C@@H](O)c1nc(Br)nn1C 1893836678 MNYRBXOQTYNBQO-RXMQYKEDSA-N 262.063 -0.231 10 10 CBCE O=C(CN1C[C@@H](O)C[C@@H](O)C1)c1ccc(O)c(O)c1 2105071797 BXWLEQDKNNFQGS-AOOOYVTPSA-N 267.281 -0.292 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@H]1O)c1cc(O)c(O)c(O)c1 2132349918 IMASTSMVGWYKNT-XLPZGREQSA-N 269.253 -0.583 10 10 CBCE N[C@H]1C(=O)NC[C@H]1c1nc(-c2ccc(O)c(O)c2)no1 2144406532 PHNCYEZMYVMDTR-HZGVNTEJSA-N 276.252 -0.312 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2CC(=O)NC2=O)cc1 2152384030 CRBIYUCOHLPZQA-SNVBAGLBSA-N 277.280 -0.431 10 10 CBCE C[C@H](CO)N1CCN(C(=O)c2cc(O)nc(O)c2)CC1 2169357105 XWTIDHZSGJKVPO-SECBINFHSA-N 281.312 -0.369 10 10 CBCE COCC(O)(CNC(=O)c1ccc(O)c(O)c1)COC 2175894322 FRJWWZIHIDPUMQ-UHFFFAOYSA-N 285.296 -0.149 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N 2188924170 PHGSLWWZKQFJRR-BDAKNGLRSA-N 281.312 -0.483 10 10 CBCE Nc1ccc(O)c(CNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 2197927689 APONYMGFOHRRPH-JTQLQIEISA-N 299.352 -0.039 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1c(O)cccc1F 2201083231 XTFNOHSRQSTCSA-WOPDTQHZSA-N 285.271 -0.088 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(OC)c1C 2295378973 VJPPYBAAYBFUHB-NTZNESFSSA-N 283.324 -0.085 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2311715421 VJIOTECPNMTINN-UTUOFQBUSA-N 272.732 -0.299 10 10 CBCE O=C(CN1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O)c1ccc(O)c(O)c1 2354473896 GHLUFRWNJBHGSE-LBLXLQPISA-N 279.292 -0.294 10 10 CBCE Cc1ccc(O)c([C@H](N)C(=O)NC[C@H](O)CO)c1 83398392 JXMLLQPROMTPRM-KWQFWETISA-N 254.286 -0.830 10 10 CBCE CN1CCN(CC(=O)Nc2ccc(N)cc2)CC1=O 84198546 YXJIPHFQQPDMFK-UHFFFAOYSA-N 262.313 -0.019 10 10 CBCE CN1C(=O)C[C@@H](NC(=O)COc2ccc(N)cc2)C1=O 88773454 KFJWFFZIXSIIJP-SNVBAGLBSA-N 277.280 -0.479 10 10 CBCE C[S@](=O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 158251280 OSVSUAKHSHJRNJ-ZRNGKTOUSA-N 286.353 -0.538 10 10 CBCE NC(=O)C[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 236208342 JWMRVNKYKAWLJW-ZCFIWIBFSA-N 268.225 -0.844 10 10 CBCE CN(C[C@@H](O)COc1ccc(N)cc1)[C@H]1CCNC1=O 1916853532 LBDZXIJEZOSWRL-YPMHNXCESA-N 279.340 -0.171 10 10 CBCE O=C(NCC1(O)CCNCC1)c1cc(O)nc(O)c1 1918783913 FAXQLSXDUNAKJU-UHFFFAOYSA-N 267.285 -0.663 10 10 CBCE O=C1CN(Cc2cc(F)ccc2O)[C@@H](C(=O)O)CN1 1963614031 FHLIEOUWMUSUDG-SECBINFHSA-N 268.244 -0.084 10 10 CBCE O=C(O)[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)O1 2035829781 DFIVNKYAHVRCFH-LURJTMIESA-N 254.198 -0.277 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@@H](O)C[C@@H]1O 2046527900 WWQOUXYRGXWFJE-DRTBCBBWSA-N 251.286 -0.336 10 10 CBCE O=C1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 2068576724 KHYOYHQURARJAK-LURJTMIESA-N 252.226 -0.578 10 10 CBCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2ccc(O)c(O)c2)C1 2094661435 DSRNOLVJCCUVOF-VHSXEESVSA-N 265.313 -0.268 10 10 CBCE Oc1cccc2c1[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O)CC2 2108831030 KUNWZWAMTFUIEK-KFWVUKLPSA-N 265.309 -0.176 10 10 CBCE Cn1nncc1CNC(=O)c1cc(O)c(O)c(O)c1 2132348557 NYMPGFHFIWXQCT-UHFFFAOYSA-N 264.241 -0.138 10 10 CBCE CN1C[C@@H](O)[C@H](NC(=O)CCOc2ccc(N)cc2)C1 2146513570 KEJIRPPYTDMVKB-CHWSQXEVSA-N 279.340 -0.171 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@H]2COC[C@H]21 2174684621 SUUMPRRPJBQOTL-MPXOCVNLSA-N 278.308 -0.271 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC=C[C@@H]1CO 2176340680 CFZBZMOSKDXITA-MNOVXSKESA-N 278.308 -0.273 10 10 CBCE O=C1NC[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)N1 2177674363 YCZLFZYCUIYMMF-CYBMUJFWSA-N 277.280 -0.005 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](CO)C[C@@H]1CO 2188868592 UEJGPGVVYNIAEE-VXNVDRBHSA-N 283.280 -0.381 10 10 CBCE OC[C@]1(O)CCN(c2ccc3c(c2)CC[C@H]3O)C[C@@H]1O 2234093075 QNPOKINMUZBVGX-QLFBSQMISA-N 279.336 -0.039 10 10 CBCE N[C@@H]1CCc2cc(N3CC[C@](O)(CO)[C@H](O)C3)ccc21 2234097595 VIDJJMXAAAAMPS-KFWWJZLASA-N 278.352 -0.073 10 10 CBCE COc1cccc(CNC(=O)[C@H](N)CC(N)=O)c1O 83494610 JNPPKIAAYRGKPM-MRVPVSSYSA-N 267.285 -0.780 10 10 CBCE CCO[C@@H]1C[C@@H](N)[C@H]1NC(=O)c1cc(O)nc(O)c1 250487867 HMHVEDPBIFNCAY-SOCHQFKDSA-N 267.285 -0.273 10 10 CBCE C[C@@H](CNCc1ccc(O)cc1O)S(N)(=O)=O 398309268 YLFAUBDLKNFLRN-ZETCQYMHSA-N 260.315 -0.136 10 10 CBCE CCO[C@H]1COCC[C@@]1(NCCN=[N+]=[N-])C(N)=O 686591827 XVKPXTLTONQOPE-WPRPVWTQSA-N 257.294 -0.064 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(CNCCO2)C1 719952908 JHCJTSWJTUDZRZ-CYBMUJFWSA-N 279.296 -0.303 10 10 CBCE CNC(=O)C1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C1 723159034 VTTDCXHQTKCIBP-GFCCVEGCSA-N 274.324 -0.155 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC(C(N)=O)C3)ccc21 723167917 ZEQXNTVVOFYKMV-LLVKDONJSA-N 260.297 -0.179 10 10 CBCE NC(=O)c1ncn(CC(=O)N2Cc3cccc(O)c3C2)n1 1152573594 LYOIANDRWNBLHA-UHFFFAOYSA-N 287.279 -0.375 10 10 CBCE O=C1CCN(C(=O)Cc2ccc(O)c(O)c2)CCN1 1464808309 RESWXXZXNSSPKQ-UHFFFAOYSA-N 264.281 -0.011 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCN1CC[C@H](O)C1 1631344356 ICOACNIXLHYLLZ-NSHDSACASA-N 280.324 -0.177 10 10 CBCE NC(=O)C1(O)CN(C(=O)CCc2ccc(N)cc2)C1 1915243300 ZSNNPMKGMOSYRH-UHFFFAOYSA-N 263.297 -0.740 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCN1CCNCC1 1968883079 GLIRXZSLVWPVCA-UHFFFAOYSA-N 279.340 -0.338 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NCc1ccc(O)cc1O 2053781446 XWZWZJPVGLLTAU-KOLCDFICSA-N 252.270 -0.170 10 10 CBCE COc1ccc(O)c([C@@H](C)N2CC(N)(C(N)=O)C2)c1 2109485701 PAHFESZASASLKX-MRVPVSSYSA-N 265.313 -0.040 10 10 CBCE Nc1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2136337742 IFBNAPXMUWBHPX-AGIUHOORSA-N 268.313 -0.954 10 10 CBCE CN1CCc2cc(CN[C@@H]3CS(=O)(=O)C[C@@H]3O)ccc21 2177840394 VYWBAIHDABLYJM-OCCSQVGLSA-N 296.392 -0.074 10 10 CBCE NC[C@@H]1COCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188908775 FXTPWBVZERHDFH-QMMMGPOBSA-N 282.296 -0.149 10 10 CBCE O=C1COC2(CN1)CN(C(=O)c1ccc(O)c(O)c1)C2 2289822132 HLNOMXSRRINECR-UHFFFAOYSA-N 278.264 -0.561 10 10 CBCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H]1CCNC1 62115793 IETJHCRAMKWAQR-NXEZZACHSA-N 294.307 -0.181 10 10 CBCE C[C@@H](c1cc(O)ccc1O)N1CCNC[C@H]1C(N)=O 251347974 FQFPHUUBQVBAKB-KWQFWETISA-N 265.313 -0.082 10 10 CBCE CN1C[C@H](NC(=O)CCc2ccc(N)cc2)C(=O)N1 393903641 IQDNORNQJGCFAJ-NSHDSACASA-N 262.313 -0.337 10 10 CBCE CN(C)C[C@@H](O)CNC(=O)COc1ccc(N)cc1 717402207 QBVDOHSJEDQVRB-NSHDSACASA-N 267.329 -0.314 10 10 CBCE O=C(NCc1ccc(N2CCOCC2)cc1)C1(O)COC1 1626694034 YPOBQEYKTDRAIV-UHFFFAOYSA-N 292.335 -0.099 10 10 CBCE NC(=O)NCCNC(=O)Cc1ccc(O)c(O)c1 1643824714 ISOXVZKUGXELKW-UHFFFAOYSA-N 253.258 -0.575 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@H](N)CCC(N)=O 1963342448 ZEEDWZLRCVMIBR-SNVBAGLBSA-N 265.313 -0.057 10 10 CBCE COC1(CO)CN(C(=O)c2ccc(O)c(O)c2)C1 2039553667 YIWZXPDFGKECLJ-UHFFFAOYSA-N 253.254 -0.069 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)C[C@@H](O)C1)OCCO2 2105074149 OHKFQCUVTNHPQL-RKDXNWHRSA-N 266.297 -0.028 10 10 CBCE COc1ccc(O)c(CNCC(CO)(CO)CO)c1 2123210311 NJQPINAGJZKYHH-UHFFFAOYSA-N 271.313 -0.546 10 10 CBCE O=C(N[C@@H]1COCC[C@H]1O)c1cc(O)c(O)c(O)c1 2132351602 YQOSNAGGCKQHIG-HTQZYQBOSA-N 269.253 -0.317 10 10 CBCE C[C@@]1(CO)CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2153561988 GJTNMITVNMOTMH-HZMBPMFUSA-N 280.324 -0.049 10 10 CBCE COC1(C(N)=O)CN(C(=O)COc2ccc(N)cc2)C1 2161204372 GZQFPSBWSGQYPT-UHFFFAOYSA-N 279.296 -0.640 10 10 CBCE CN(C(=O)CN1CC[C@@H](O)[C@@H](O)C1)c1ccc(N)cc1 2188624077 QSJPCFBDZWPXDW-OLZOCXBDSA-N 279.340 -0.341 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1c(F)cc(CN)cc1F 2234075783 SHRIDWJDJPKFEU-WZRBSPASSA-N 288.294 -0.020 10 10 CBCE CN(CC1(O)CNC1)C(=O)CCOc1ccc(N)cc1 2287319322 HRPFZXQGAQACJS-UHFFFAOYSA-N 279.340 -0.170 10 10 CBCE COC[C@H]1[C@@H](O)[C@@H](O)CN1Cc1cc(N)ccc1O 2333607856 GZCOYUVPDYMAKP-WCFLWFBJSA-N 268.313 -0.473 10 10 CBCE Nc1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 130601908 KWVGFBZYEGKODE-ZDUSSCGKSA-N 251.330 -0.256 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)c2cccc(O)c2O)C1 311854612 PJXZZDRMJARJFV-GFCCVEGCSA-N 266.253 -0.840 10 10 CBCE NC/C=C/C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 312980865 QSXXNUNMCLXHKG-GPYPMJJRSA-N 280.280 -0.275 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN1S(C)(=O)=O 808496506 RYMAXEWBDVNSIY-QMMMGPOBSA-N 277.298 -0.888 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2cc(F)ccc2O)C1 895686189 ZAOKQBGFNUUXSV-MWLCHTKSSA-N 275.301 -0.221 10 10 CBCE Cc1nn(CC(=O)NCc2c(O)cccc2O)c(=O)o1 1178917795 SETBVSOWEQUDIV-UHFFFAOYSA-N 279.252 -0.128 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CNOC2)cc1 1876418402 YAQHZNRMMGEYIY-JTQLQIEISA-N 287.341 -0.530 10 10 CBCE Nc1ccc(OCC(=O)N2CCNC[C@H]2CO)cc1 1876478514 XFNUFBJBCWSOQS-NSHDSACASA-N 265.313 -0.560 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)N2CC(O)C2)C1 1912165563 MHEVRUUCBDOZDJ-QMMMGPOBSA-N 275.334 -0.070 10 10 CBCE O=C(N[C@H](C(=O)O)C1COC1)c1cccc(O)c1O 2104891638 BWXUARRODRYFQK-VIFPVBQESA-N 267.237 -0.073 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC(=O)N1 2132348121 FFUOLKBUCKGRNI-ZCFIWIBFSA-N 266.253 -0.236 10 10 CBCE NC(=O)CC[C@H]1NC(=O)N(c2ccc(N)cc2)C1=O 2141185593 BEMPIXBCYWRENM-SECBINFHSA-N 262.269 -0.041 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2CCS(=O)(=O)N2)cc1 2146201797 CKVUXZSEQAWFLG-JTQLQIEISA-N 299.352 -0.545 10 10 CBCE C[C@@H]1COC[C@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 2168279866 ZPAFPUSWXZPBQB-HTRCEHHLSA-N 282.252 -0.193 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188911732 FEPNOLJZOXRQDL-WKEGUHRASA-N 282.252 -0.824 10 10 CBCE CC(=O)N[C@H](CCC(N)=O)C(=O)NCCN=[N+]=[N-] 2220563682 KFNUXIWOXDTALK-SSDOTTSWSA-N 256.266 -0.817 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2332916812 UXYGLOCUHWZVEZ-LDICSKNTSA-N 271.288 -0.218 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1CNC(=O)CN1 230880564 JBPFADZOERRPJZ-KOLCDFICSA-N 277.324 0.000 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@H]2CNC(=O)CN2)cc1 230886147 CERBQBRUKPLMBI-GFCCVEGCSA-N 276.340 -0.543 10 10 CBCE CNC(=O)CN1C(=O)Cc2cc(N3CCNCC3)ccc21 259568253 XOWZAFMBUZHCIJ-UHFFFAOYSA-N 288.351 -0.269 10 10 CBCE Nc1ccc(OCCC(=O)NC2CS(=O)(=O)C2)cc1 380039627 RLSOKNOKDGCNQV-UHFFFAOYSA-N 284.337 -0.049 10 10 CBCE O=C1NOC[C@@H]1NCc1cc2c(cc1O)OCO2 393769068 INFVICOLFYHFQC-ZETCQYMHSA-N 252.226 -0.360 10 10 CBCE COc1ccc(O)c(CNC(=O)CN2CC(=O)NC2=O)c1 734018737 HPNHNHXWZOKUAT-UHFFFAOYSA-N 293.279 -0.431 10 10 CBCE OCC(O)(CO)CNCc1ccc2c(c1)CCCO2 1913789747 MZKCFQUURSCCPZ-UHFFFAOYSA-N 267.325 -0.183 10 10 CBCE O=C1Nc2cc(N3CC(CO)(CO)C3)c(F)cc2[C@@H]1O 1914980295 SKQREEKNXSWGSA-NSHDSACASA-N 282.271 -0.398 10 10 CBCE O=S1(=O)CC(S(=O)(=O)Nc2ccc(O)cc2)C1 1917941371 DMJQMJKGZXDBGJ-UHFFFAOYSA-N 277.323 -0.069 10 10 CBCE O=C(NC[C@H]1COC[C@H]1O)c1ccc(O)c(O)c1 2036576919 KSENRCXDEZKZNG-GZMMTYOYSA-N 253.254 -0.165 10 10 CBCE C[C@@H](O)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2052970532 CEJRTYMBARSGLU-HQJQHLMTSA-N 254.286 -0.535 10 10 CBCE C[C@H](O)[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2068579472 XNKPNEKQTOYEBW-SSDLBLMSSA-N 257.242 -0.725 10 10 CBCE O=C(NCC[C@H]1COC[C@H]1O)c1cc(O)nc(O)c1 2111276712 IYTVLQGNRPWDOC-IONNQARKSA-N 268.269 -0.380 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1CCc1ccc(N)cc1 2127709348 JIDNGJNHBUQWEV-NSHDSACASA-N 262.313 -0.903 10 10 CBCE COc1cc(N2CC(OCC(N)=O)C2)ccc1CN 2139704004 GKIGDUKNBROROK-UHFFFAOYSA-N 265.313 -0.156 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3[C@H](N)[C@H]3C2)cc1 2191761926 XBMBDKVZRYMTCG-ITGUQSILSA-N 297.380 -0.134 10 10 CBCE [N-]=[N+]=NCCNC1(C(N)=O)C[C@H]2CSC[C@@H](C1)N2 2258017618 HDXGCLNIPRENJN-JWHQNHQBSA-N 270.362 -0.022 10 10 CBCE Nc1ccc(CNCCS(=O)(=O)CCO)cc1 2299294197 KXTVVLPYTCAIIB-UHFFFAOYSA-N 258.343 -0.235 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2329326648 QTAQWLFZDVWXKQ-VMXABPDPSA-N 262.309 -0.236 10 10 CBCE NC(=O)NC(=O)CN1CCc2cc(O)c(O)cc2C1 2341214593 MJYCIURSHXFBJI-UHFFFAOYSA-N 265.269 -0.349 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1nnc[nH]1 40468936 HPPATYKQXBHUEA-QMMMGPOBSA-N 277.284 -0.598 10 10 CBCE O=C1CN(C(=O)c2ccc(O)c(O)c2)[C@@H](C(=O)O)CN1 236459846 SNCVHEWNXTUXAU-SSDOTTSWSA-N 280.236 -0.877 10 10 CBCE CO[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@H]1O 396008358 HRHZTSOWDXLYMY-UTUOFQBUSA-N 263.297 -0.166 10 10 CBCE O=C(c1cccc(O)c1O)N1CCS(=O)(=O)CCO1 1305771254 NUMFDQVCHWFPRB-UHFFFAOYSA-N 287.293 -0.100 10 10 CBCE Nc1ccc(CC(=O)N[C@]2(C(=O)O)C[C@H](O)C2)cc1 1879042613 HLEODKDUKYEAPF-GSJFWJNXSA-N 264.281 -0.094 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H](CN)CO)cc1 2067735869 QLQPTWKCEBSLDL-NSHDSACASA-N 251.330 -0.064 10 10 CBCE C[C@@](O)(CCO)CNC(=O)Cc1ccc(O)c(O)c1 2107432269 YTHNJDGAJIMXOO-CYBMUJFWSA-N 269.297 -0.110 10 10 CBCE O=C(O)CN1CC(NC(=O)c2cccc(O)c2O)C1 2113033544 PIZOATOKWOTVEX-UHFFFAOYSA-N 266.253 -0.404 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1 31597057 ZLOQZKZKMHZNSD-UWVGGRQHSA-N 294.307 -0.038 10 10 CBCE C[C@@H](c1cc(O)ccc1O)N1CCNC[C@@H]1C(N)=O 88659305 FQFPHUUBQVBAKB-GZMMTYOYSA-N 265.313 -0.082 10 10 CBCE NC(=O)CN(C(=O)c1cccc(O)c1O)[C@H]1CCCNC1 126099944 POPLYCFODOHRHM-VIFPVBQESA-N 293.323 -0.223 10 10 CBCE CNC(=O)[C@H]1COCCN1CC(=O)c1ccc(O)c(O)c1 160121265 SNHOPNDEZCTYHL-SNVBAGLBSA-N 294.307 -0.273 10 10 CBCE CN1CCN(NC(=O)COc2ccc(N)cc2)CC1 214782185 KCFGWTHJMIGKAY-UHFFFAOYSA-N 264.329 -0.074 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@](=O)CC(N)=O 302395521 VNWINWGRTXPZEC-ULCDLSAGSA-N 269.326 -0.170 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N(C)[C@H]3COC[C@H]3O)cc21 708719486 GZLPMGGWRMTWMR-YNEHKIRRSA-N 278.308 -0.108 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@@H]1COC[C@H]1O 709221739 KJUVASOQEZDBGG-IJLUTSLNSA-N 263.297 -0.166 10 10 CBCE O=S1(=O)C[C@@H]2NCCN(Cc3ccccc3O)[C@H]2C1 2087411679 QMAUZSPJVOCIAV-RYUDHWBXSA-N 282.365 -0.037 10 10 CBCE O=C(N[C@@H](C(=O)O)[C@@H]1CCOC1)c1cc(O)nc(O)c1 2149323930 AEIVZFFOHKLFTO-LHLIQPBNSA-N 282.252 -0.288 10 10 CBCE NC[C@]1(O)CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188919456 NAXKTFITBNVUFB-CYBMUJFWSA-N 282.296 -0.271 10 10 CBCE Nc1ccc(NC(=O)NC[C@@H]2NC[C@H](O)[C@@H]2O)cc1 2225621862 GJZNABVPALUGMO-GARJFASQSA-N 266.301 -0.916 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(CN)c1 2235964328 SEDSHKXPBUSWOQ-ZIAGYGMSSA-N 282.340 -0.552 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1O 2332921058 YFHIYZBRTYTAAR-RZOYXHMNSA-N 268.313 -0.685 10 10 CBCE O=[N+]([O-])C/[N+]([O-])=N/c1nonc1/N=[N+](\[O-])C[N+](=O)[O-] 44932698 FDTSPIOGYSYNQO-OZDSWYPASA-N 276.125 -0.274 10 10 CBCE O=C(O)[C@@H](CO)NCc1ccc(N2CCNCC2)cc1F 84846871 PBQHGHMGTQZUFE-CYBMUJFWSA-N 297.330 -0.230 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1ccc(N)cc1 720547900 WLPOTYUDLIGMKO-UHFFFAOYSA-N 264.329 -0.437 10 10 CBCE CC(=O)C(=O)COC(=O)CN1CCCCC(=O)C1=O 869997418 KBUZNTFQLMVJRG-UHFFFAOYSA-N 269.253 -0.731 10 10 CBCE NC(=O)C1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1556370440 UGICMPSMLOWNTO-UHFFFAOYSA-N 294.307 -0.521 10 10 CBCE NC(=O)[C@@H]1CCN1S(=O)(=O)Cc1ccc(N)cc1 2028927568 PJDKLWDWXIHZKY-JTQLQIEISA-N 269.326 -0.342 10 10 CBCE CS(=O)(=O)C1([C@H](NCCN=[N+]=[N-])C(N)=O)CCC1 2047893014 GDZMDNNXISNVMH-SSDOTTSWSA-N 275.334 -0.293 10 10 CBCE N=C(CCNC(=O)c1cc(O)c(O)c(O)c1)NO 2068619407 YRKNLFJNTCGRNW-UHFFFAOYSA-N 255.230 -0.121 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CC(=O)NC2=O)cc1 2096082685 SVRYUSRZWABYQL-VIFPVBQESA-N 283.309 -0.897 10 10 CBCE CO[C@H]1CNC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132412520 FDVWDWIMUHSETM-XCBNKYQSSA-N 268.269 -0.480 10 10 CBCE Nc1ccc(NC(=O)N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2136337826 ITCKJCDPZQGLII-VWYCJHECSA-N 267.285 -0.801 10 10 CBCE COc1cc(N2CC(NS(C)(=O)=O)C2)ccc1CO 2139711802 RRADSDVXIPNOOT-UHFFFAOYSA-N 286.353 -0.075 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1C[C@H]1CO 2174276193 RRHBWJUIRFLVMJ-DCAQKATOSA-N 280.324 -0.288 10 10 CBCE N[C@H]1CC[C@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2188785974 CCGXGUOTOFJPSG-JGVFFNPUSA-N 281.268 -0.491 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1O 2188868490 SABLYJBRGDNILO-GZMMTYOYSA-N 282.296 -0.450 10 10 CBCE NC[C@H]1C[C@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 2191794968 GHQJKRGGFANIBB-SFYZADRCSA-N 278.312 -0.502 10 10 CBCE COC1CN(S(=O)(=O)Nc2ccc(O)c(N)c2)C1 2220582506 ZKSJRFMLKZDUBM-UHFFFAOYSA-N 273.314 -0.038 10 10 CBCE CCNCc1ccc(N(CC(N)=O)CC(N)=O)cc1 61808297 JHRZKAWXJZUWKP-UHFFFAOYSA-N 264.329 -0.427 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC/C=C/C(=O)O 380262103 SSDXLUONICZNNM-VWCDRPFISA-N 280.280 -0.275 10 10 CBCE CN1CCN(CC(=O)NCc2c(O)cccc2O)CC1=O 1156886190 VGRVVUHNXZIQQH-UHFFFAOYSA-N 293.323 -0.512 10 10 CBCE COCC(O)(CNC(=O)Cc1ccc(N)cc1)COC 1875694695 BOAVFJIUSGSQSI-UHFFFAOYSA-N 282.340 -0.049 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2COCCN2)cc1 1876408576 JIIJVLUFXDCZGA-GFCCVEGCSA-N 285.369 -0.323 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2089921089 YSKBDJSXBOPJSB-BDAKNGLRSA-N 267.285 -0.760 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H](O)CF 2093843549 YXVKHGLERBCUDU-IUCAKERBSA-N 272.276 -0.586 10 10 CBCE C[C@H](CS(N)(=O)=O)NC(=O)c1cc(O)c(O)c(O)c1 2132405884 CKSGIOAGSXEDPB-RXMQYKEDSA-N 290.297 -0.790 10 10 CBCE Oc1ccc(-c2noc([C@@H]3NC[C@@H](O)[C@H]3O)n2)cc1O 2200872268 HKKVABAXIIMKQM-OPRDCNLKSA-N 279.252 -0.486 10 10 CBCE C[C@H](O)CN(CCN)C(=O)COc1ccc(N)cc1 2269815680 LZFRJZMXWQZTSR-JTQLQIEISA-N 267.329 -0.184 10 10 CBCE Nc1cc2c(cc1N1CC[C@@H]1[C@H](O)CO)OCCO2 2270705282 ODNDWIRNDCWWHX-MWLCHTKSSA-N 266.297 -0.028 10 10 CBCE C[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C[C@@H]1O 2357528301 AASORZGUXPJCKV-SGMGOOAPSA-N 278.308 -0.006 10 10 CBCE Cc1cc(/C=C/C(=O)O)ccc1N(CC(N)=O)CC(N)=O 61808372 SQBFQLNDPBTTLH-HWKANZROSA-N 291.307 -0.130 10 10 CBCE O=C(NC[C@@H]1CNC[C@H]1O)c1cccc(O)c1O 702849346 BHEATLWHKGNOOW-OIBJUYFYSA-N 252.270 -0.592 10 10 CBCE CN1C[C@H](C(=O)N(C)Cc2ccccc2O)NCC1=O 1357194472 RKBBXLLPOHVVKR-LLVKDONJSA-N 277.324 -0.219 10 10 CBCE O=C1N[C@H]2CN(Cc3c(O)cccc3Cl)C[C@H]2NC1=O 1974194631 TZHQZCSFIZFUEU-AOOOYVTPSA-N 295.726 -0.156 10 10 CBCE Nc1ccc(CN2CCOC[C@H]2[C@H](O)CO)cc1 2029654094 JIELAXLDGGTCLH-QWHCGFSZSA-N 252.314 -0.177 10 10 CBCE N[C@@H]1COCCN(C(=O)c2cc(O)nc(O)c2)C1 2034718087 XYNMHRYYKGRJGX-QMMMGPOBSA-N 253.258 -0.708 10 10 CBCE COCCN(C(=O)c1cc(O)nc(O)c1)C1CNC1 2103931135 JFDBELZFJCUUKK-UHFFFAOYSA-N 267.285 -0.447 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CC[C@H]2O 2128317401 DQNNSOFNUNPGLZ-LLVKDONJSA-N 263.297 -0.557 10 10 CBCE NC1(CO)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 2144020227 SJOFLVIPEOHKJJ-UHFFFAOYSA-N 280.324 -0.048 10 10 CBCE CN(CCCN=[N+]=[N-])C(=O)c1cn(C)c(=O)n(C)c1=O 2160957178 JSGHTOXJKUNZEL-UHFFFAOYSA-N 280.288 -0.144 10 10 CBCE O=C(N[C@@H]1CCn2nnnc2C1)c1cccc(O)c1O 2175911606 GQWLEIDJOIXHKR-SSDOTTSWSA-N 275.268 -0.171 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@H]1NCCc2cccc(O)c21 83660365 HWJIEUPMXNLOOP-AXFHLTTASA-N 253.254 -0.615 10 10 CBCE CN1CCN(c2cc3c(cc2N)OCC(=O)N3)CC1=O 84197722 HBUKYNFZNHUMJL-UHFFFAOYSA-N 276.296 -0.122 10 10 CBCE O=C(CN1CCC(CO)(CO)C1)c1ccc(O)c(O)c1 694636469 PRGVXEIAXCUVBR-UHFFFAOYSA-N 281.308 -0.043 10 10 CBCE Nc1ccc(OCCS(=O)(=O)Nc2nn[nH]n2)cc1 709776854 RTHDCYOJYATCLY-UHFFFAOYSA-N 284.301 -0.397 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN[C@@H](CCO)C1 710598884 VYESRTQOGIKSIR-JTQLQIEISA-N 266.297 -0.106 10 10 CBCE O=C1NC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)N1 783611649 FABMOKQSSWYVMW-ZETCQYMHSA-N 280.236 -0.495 10 10 CBCE CN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(N)cc1 825627752 QBTHPUQJYRNTNY-UHFFFAOYSA-N 290.367 -0.299 10 10 CBCE CS(=O)(=O)CCNC(=O)c1cc(O)c(O)c(O)c1 1148580101 FFFBKKHSNCKBDR-UHFFFAOYSA-N 275.282 -0.422 10 10 CBCE O=C1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C(=O)N1 1148589715 IJOYJFRRAHOWTO-ZCFIWIBFSA-N 280.236 -0.662 10 10 CBCE CN(Cc1ccccc1O)S(=O)(=O)N1CC(N)C1 2041090148 DWTMJQLEISEFGD-UHFFFAOYSA-N 271.342 -0.288 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CNC[C@H]2COC3)C1 2049781674 XPFYJDCEGHOHIH-YVNDNENWSA-N 252.314 -0.512 10 10 CBCE COC[C@@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2068625603 ZONGDHUXOJCZPY-SSDOTTSWSA-N 256.258 -0.493 10 10 CBCE NC(=O)COC1CN(C(=O)c2ccc(O)c(O)c2)C1 2089140498 YLOLDZCQUUBCRI-UHFFFAOYSA-N 266.253 -0.576 10 10 CBCE CCc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1O 2108829680 POKPKTFLDNHRTO-ZMJPVWNMSA-N 267.325 -0.101 10 10 CBCE CNC1(C(N)=O)CN([C@@H](C)c2c(O)cccc2O)C1 2109491895 YQOJMHSHOKHCEY-QMMMGPOBSA-N 265.313 -0.082 10 10 CBCE NC(=O)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132408467 XBNBYWGKUAATJU-SECBINFHSA-N 266.253 -0.203 10 10 CBCE O=C1CN([C@H](Cc2ccc(O)c(O)c2)C(=O)O)C(=O)N1 2157438823 PIKWMYNQOKVKID-SSDOTTSWSA-N 280.236 -0.355 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)Cc1ccc(N)cc1 2233873916 QPKRLIIQOOZBKO-BZPMIXESSA-N 280.324 -0.610 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OCF)cc1 2263851716 WAONGOLBQOFZBP-WOPDTQHZSA-N 257.261 -0.105 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1COC(=O)C1 2296294267 RVHWMVCZKARHAR-IUCAKERBSA-N 280.280 -0.601 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@H](n2cnc3c(N)nc(N)nc32)O[C@H]1CO 34255922 BFTAFRDMRHNFKO-NGJCXOISSA-N 291.275 -0.051 10 10 CBCE CN(C[C@@H](O)CO)c1ccc2c(c1)N(C)C(=O)CO2 258968737 LHAGWVWNHQXBGB-SNVBAGLBSA-N 266.297 -0.169 10 10 CBCE O=C(CCN1C(=O)CSC1=S)N1CCNCC1 1865765853 NPHMOWCTPWITLQ-UHFFFAOYSA-N 273.383 -0.331 10 10 CBCE CS(=O)(=O)NCC(=O)NCC1(CN=[N+]=[N-])CC1 2006019930 BTPKUXKDDGEKAW-UHFFFAOYSA-N 261.307 -0.258 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H](O)C[C@@H]1O 2108710470 XKBKEANRVIFIFC-NGZCFLSTSA-N 267.281 -0.359 10 10 CBCE OC[C@@H]1C[C@H](NCc2cccc(F)c2O)[C@@H](O)[C@@H]1O 2121476792 XNZABCQYWAVXOE-LOHPEHISSA-N 271.288 -0.277 10 10 CBCE Cc1cc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)ccc1CO 2166788030 CFFLMOFLSFSNAS-TXEJJXNPSA-N 275.308 -0.709 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1COC[C@@H]1F 2191531783 NOOSCODYXZUNQO-GUBZILKMSA-N 284.287 -0.179 10 10 CBCE NC[C@H]1C[C@@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 2191787530 GHQJKRGGFANIBB-HTQZYQBOSA-N 278.312 -0.502 10 10 CBCE O=C(NCCOCCO)c1cc(O)c(O)c(O)c1 170190533 MWABWHBBCRICSO-UHFFFAOYSA-N 257.242 -0.458 10 10 CBCE CN1C[C@H](O)[C@H](NCc2ccc(O)c(O)c2O)C1 2029870796 PUXJVMMTZKHPMK-SCZZXKLOSA-N 254.286 -0.432 10 10 CBCE CNCc1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2037781223 NEOZSKBSPZMMCV-UHFFFAOYSA-N 285.354 -0.204 10 10 CBCE O=C(O)[C@@H]1[C@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@H]21 2087315633 PFFIPMIHKPTQLQ-MTBHXBHISA-N 264.237 -0.105 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2118018520 YCKADPWDTBYHGV-MBTKJCJQSA-N 281.337 -0.177 10 10 CBCE O=C(O)C1=C[C@@H](O)[C@@H](NC(=O)c2cccc(O)c2O)C1 2188066554 QMQPFPRKYLJDQU-WCBMZHEXSA-N 279.248 -0.028 10 10 CBCE O=C(N[C@@H]1CCOC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2193219450 RWRLPVVYVGMNCC-DTWKUNHWSA-N 283.280 -0.069 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2CO[C@@H]3CNC[C@@H]32)C1 2309419444 MVMYMHCYBWJAON-APWOSFEXSA-N 252.314 -0.514 10 10 CBCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1F 2333592077 PDKFHORGVIYIBG-RWMBFGLXSA-N 271.288 -0.125 10 10 CBCE CO[C@H]1C[C@@H](N)CN(C(=O)c2cc(O)nc(O)c2)C1 2344617883 CIKPZSGOLAIANX-BDAKNGLRSA-N 267.285 -0.319 10 10 CBCE Nc1ccc(CNS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1 36288626 XWZUIXSZOWAXRI-UHFFFAOYSA-N 296.308 -0.876 10 10 CBCE CNC(=O)CN(C)C[C@H](O)COc1ccc(N)cc1 37269582 FFGOPJJRCJSAFO-NSHDSACASA-N 267.329 -0.314 10 10 CBCE CCNCC(=O)NCCN1C(=O)CSC1=S 308906906 OMTSWYFDAJPGBR-UHFFFAOYSA-N 261.372 -0.428 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@H]1CO 687619519 HPPDUZZXRGZVTJ-GWCFXTLKSA-N 276.340 -0.249 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCS(=O)(=O)CC1 709888060 KDEZQYBBXFBRQW-VIFPVBQESA-N 275.334 -0.291 10 10 CBCE NC[C@@H]1COCCN1S(=O)(=O)Cc1ccc(N)cc1 1876460419 ASOUFHNAVBIVSM-GFCCVEGCSA-N 285.369 -0.242 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COC[C@@H]1O 2027485981 YAAPJHIXYMNQFW-KWQFWETISA-N 253.254 -0.484 10 10 CBCE CN1CC[C@@](NCCCN=[N+]=[N-])(C(N)=O)CC1=O 2068216739 HESNVFQWSQADCH-JTQLQIEISA-N 254.294 -0.247 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCONC2)cc1 2071693929 CYOARPHXMTZVRS-NSHDSACASA-N 271.342 -0.018 10 10 CBCE C[C@@H](NC(=O)CNC(=O)CN)c1ccccc1O 2072491775 UXJKMMMHICZVBO-MRVPVSSYSA-N 251.286 -0.356 10 10 CBCE COC1(CO)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2101060923 QAJSJSWLCUDKIA-UHFFFAOYSA-N 286.353 -0.208 10 10 CBCE O=C(NCC1(CCO)CNC1)c1ccc(O)c(O)c1 2119214568 XXTRNGGFOAUMIC-UHFFFAOYSA-N 266.297 -0.200 10 10 CBCE N[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CO 2122381562 NRMRKDVPADTHGQ-DTWKUNHWSA-N 267.285 -0.726 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2160714614 FYEJNLNZKAFQLV-XBIGMKJDSA-N 275.308 -0.431 10 10 CBCE C[S@](=O)C1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2171957510 RQRWMBYVHYOOME-FVINQWEUSA-N 298.364 -0.443 10 10 CBCE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccc(O)c(F)c1 2270539607 SRTGMTFRJCIIRG-QMMMGPOBSA-N 292.288 -0.227 10 10 CBCE COC[C@@H](O)CNC(=O)COc1ccc(N)cc1 71263543 VFMWCADAPIPNNY-JTQLQIEISA-N 254.286 -0.229 10 10 CBCE CNC[C@@H](O)CN(C)C(=O)c1cccc(O)c1O 708826406 CKTVBKIHKXBPOL-MRVPVSSYSA-N 254.286 -0.250 10 10 CBCE CNC(=O)C[S@@](=O)C[C@H](O)COc1ccc(N)cc1 722446118 XDMIXTGNMDSDRJ-DGIBIBHMSA-N 286.353 -0.497 10 10 CBCE CN1CC[C@@H](C(=O)NCc2ccc(N)cc2)S1(=O)=O 843255653 BPJWEFYFKJFOHC-NSHDSACASA-N 283.353 -0.081 10 10 CBCE CNC(=O)NCCNC(=O)Cc1ccc(O)c(O)c1 1142850381 BMAKWLRSLZLWIY-UHFFFAOYSA-N 267.285 -0.315 10 10 CBCE NC(=O)CSCC(=O)NCc1cc(O)ccc1O 1593873229 MEXDMHDPAPMZRW-UHFFFAOYSA-N 270.310 -0.068 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@H]1F 1614606377 PCPGVUKMIADCCP-JAGXHNFQSA-N 286.223 -0.705 10 10 CBCE CCn1nnc(Cn2ccc3c(c2=O)CNCC3)n1 1892828125 WTAZTVSEJRZREU-UHFFFAOYSA-N 260.301 -0.451 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1912147015 GLJGEDDMJWRIKG-ZETCQYMHSA-N 266.261 -0.303 10 10 CBCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)CO 2027475402 RYZQZZZRALOGIZ-WRWORJQWSA-N 255.270 -0.502 10 10 CBCE NC(=O)[C@H]1CNCCN1Cc1c(O)cccc1F 2042632228 CTWGLMMVRDMIOW-SNVBAGLBSA-N 253.277 -0.210 10 10 CBCE C[C@@](O)(CCO)CNC(=O)c1ccc(O)c(O)c1 2045283212 PYLBSMSHGDUPKQ-GFCCVEGCSA-N 255.270 -0.039 10 10 CBCE N[C@@H]1C[C@@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 2049116330 HMPJVEFUXAMBPM-HTQZYQBOSA-N 253.258 -0.973 10 10 CBCE CN(CC(CO)CO)c1ccc2c(c1)NC(=O)[C@@H]2O 2094026718 GDQHFTIVUDUUCG-GFCCVEGCSA-N 266.297 -0.291 10 10 CBCE C[C@@H](NCCCNS(N)(=O)=O)c1cc(O)ccc1O 2101323408 BVIKWRSFAXEFAS-MRVPVSSYSA-N 289.357 -0.068 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)cc1 2108795028 UPYJWBWWVYITGA-IJLUTSLNSA-N 286.353 -0.428 10 10 CBCE Nc1ccc(O)c(CN2CC([C@H]3NC(=O)NC3=O)C2)c1 2184961553 XPOHHDJWOUSENL-LLVKDONJSA-N 276.296 -0.386 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CO[C@H]3CNC[C@@H]23)cc1 2191644992 MNSIZDHDLVCULT-XQQFMLRXSA-N 297.380 -0.325 10 10 CBCE CN(C)c1ccc(CN2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)cc1 2200865402 SARWTSMUHPDDGA-XQQFMLRXSA-N 280.324 -0.257 10 10 CBCE O=C(N[C@H]1CNC[C@@H](F)C1)c1cc(O)nc(O)c1 2219125079 OAACKXLZVBUDCT-JGVFFNPUSA-N 255.249 -0.077 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1F 2219612450 MWOKXSCOOMYUQC-JFGNBEQYSA-N 257.261 -0.263 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)[C@H](O)CC1 2269157711 JRFWAHBWVRGBBK-RKDXNWHRSA-N 268.269 -0.549 10 10 CBCE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccc(O)cc1C 2270496231 KXSARLZHKKEQEY-VIFPVBQESA-N 288.325 -0.057 10 10 CBCE O=S1(=O)CC[C@H](S(=O)(=O)[n+]2ccccc2)C1 5583133 JWBMUJUXJCNFCY-VIFPVBQESA-N 262.332 -0.661 10 10 CBCE NC(=O)N/C=C1/SC(=S)N(CC(=O)O)C1=O 35989665 OUXVMQHUZHWPJW-HNQUOIGGSA-N 261.284 -0.559 10 10 CBCE COC(=O)[C@@H](C)S(=O)(=O)NCc1cc(N)ccc1O 49063447 URAMQFNGCKTGMI-SSDOTTSWSA-N 288.325 -0.045 10 10 CBCE COc1cc2c(c(O)c1OC)[C@H]([C@H](O)CO)NCC2 75823308 BJRJXDNNDMHECU-KCJUWKMLSA-N 269.297 -0.051 10 10 CBCE C[C@H](O)[C@H](O)CNC(=O)CCOc1ccc(N)cc1 717379122 WXCVQKWOCLUSBV-JOYOIKCWSA-N 268.313 -0.104 10 10 CBCE CO[C@H](CO)CNC(=O)Cc1ccc(O)c(O)c1 1963421903 DJBICVQPLKBFLK-VIFPVBQESA-N 255.270 -0.236 10 10 CBCE O=C(O)CN1CC(NCc2ccc(O)cc2O)C1 2050210612 BOTIBFYNSGIQOH-UHFFFAOYSA-N 252.270 -0.044 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)CO2)cc1 2052294393 IPEOAHMEQYCPIP-GHMZBOCLSA-N 254.286 -0.383 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(O)cc2O)[C@@H](O)[C@@H]1O 2121476518 VUJOWTKZLWOASP-LOHPEHISSA-N 269.297 -0.710 10 10 CBCE OCC(CO)(CO)CNCc1cc2c(cc1O)OCO2 2179798703 MYGDTQUZMRKBJM-UHFFFAOYSA-N 285.296 -0.826 10 10 CBCE O=C(NC1(CO)CCNCC1)c1cc(O)c(O)c(O)c1 2190123037 ZQLGFPSZBUUXRW-UHFFFAOYSA-N 282.296 -0.352 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCn2cnnc2)cc1 381721826 UZCZQPPUGCSGBB-UHFFFAOYSA-N 281.341 -0.020 10 10 CBCE O=C(c1ccc(O)c(O)c1)N(CCO)CCCO 385708230 IKPMCTWXTDQYTK-UHFFFAOYSA-N 255.270 -0.085 10 10 CBCE C[C@H]1[C@@](NCCN=[N+]=[N-])(C(=O)O)CCS1(=O)=O 393863946 MEDREOCYGCCXAL-POYBYMJQSA-N 262.291 -0.083 10 10 CBCE C[C@@H](NCc1cc2c(cc1O)OCO2)[C@@H](O)CO 698995607 QXUMDGKLIAJGRK-XCBNKYQSSA-N 255.270 -0.048 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)[C@@H]1COC[C@H]1O 709257162 KOSAJIXDDFQXBV-VXGBXAGGSA-N 265.313 -0.101 10 10 CBCE Cc1ccc(C(=O)N2CC(CO)(CO)C2)c(O)c1O 1645107272 HJTIXFSYYOVHTQ-UHFFFAOYSA-N 267.281 -0.167 10 10 CBCE C[C@H](O)c1ccc(N2CC(O)(C(N)=O)C2)cc1O 1915237103 ZXWVMLUWZMMISF-ZETCQYMHSA-N 252.270 -0.518 10 10 CBCE CN[C@H](C)c1ccc(N2CC(O)(C(N)=O)C2)cc1O 1915248106 ALBURLFUKJETSD-MRVPVSSYSA-N 265.313 -0.291 10 10 CBCE Oc1ccc(Cl)cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046514547 OHUSUMZCQUPVSH-QTKMDUPCSA-N 273.716 -0.010 10 10 CBCE Nc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)cc1 2121365626 WMOUCBLUNJLZHV-VHSXEESVSA-N 285.325 -0.452 10 10 CBCE Nc1ccc(NC(=O)N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2136337824 ITCKJCDPZQGLII-GARJFASQSA-N 267.285 -0.801 10 10 CBCE NC(=O)CC[C@H]1NC(=O)N(c2ccc(N)cc2)C1=O 2141184502 BEMPIXBCYWRENM-SECBINFHSA-N 262.269 -0.041 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCCc1nn[nH]n1 2144021021 XVEIGHQQOCDAKL-UHFFFAOYSA-N 277.284 -0.098 10 10 CBCE NC(=O)COC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2145369399 BYJMTNJPHRDITA-UHFFFAOYSA-N 299.352 -0.715 10 10 CBCE N[C@@H]1C[C@@H]2CN(Cc3ccc(O)cc3O)CCN2C1=O 2173417531 BRQVZPLAPQDFQO-ZYHUDNBSSA-N 277.324 -0.158 10 10 CBCE NC(=O)[C@H]1CNCCN1C(=O)CCc1ccc(N)cc1 2191719198 FNEXGUHHHDCZDM-GFCCVEGCSA-N 276.340 -0.513 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)cc1F 2225700146 IOZMGUNJIGSEAL-UPJWGTAASA-N 270.304 -0.159 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCOC2CNC2)cc1 2337064705 XERUYWPXWRHXOM-UHFFFAOYSA-N 285.369 -0.323 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1ccc(O)cc1O 83397868 DKMCNTJTAQIOEA-SNVBAGLBSA-N 254.242 -0.613 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1C(=O)COc1ccc(N)cc1 97289837 NQXBTOHVTHNEAZ-QMMMGPOBSA-N 277.280 -0.479 10 10 CBCE CO[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@H]1O 395983506 DPGSNWBHBBMQTJ-ZYHUDNBSSA-N 279.296 -0.204 10 10 CBCE N[C@@H](CS(=O)(=O)Nc1ccc(O)c(F)c1)C(=O)O 691666650 WVKRUTPEUFERIE-ZETCQYMHSA-N 278.261 -0.315 10 10 CBCE CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cccc(O)c1O 697288593 ACJNSPKVAMXWGK-MWLCHTKSSA-N 287.337 -0.001 10 10 CBCE O=C(N[C@@H]1CCOC[C@@H]1O)c1cc(O)nc(O)c1 706777130 PYMUCAGUYQGZMY-SFYZADRCSA-N 254.242 -0.628 10 10 CBCE NC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CCOCC1 1146383629 CKIKUIDXJUCLLF-UHFFFAOYSA-N 294.307 -0.209 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)C[C@H]1CO 1466964411 VKYLRQFZPSOWLL-UWVGGRQHSA-N 267.281 -0.406 10 10 CBCE COC[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1467675285 ZCOKHOKKMYNMRB-SECBINFHSA-N 255.270 -0.236 10 10 CBCE Cn1nnnc1CNC(=O)/C=C\c1ccc(O)c(O)c1 1633486004 YCDNFWSGZPZDFK-HYXAFXHYSA-N 275.268 -0.049 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H](O)[C@H](O)C1 1638740730 KYNCDONENVYCCD-VTYGSRLXSA-N 267.281 -0.359 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CO[C@@H]3CNC[C@H]32)C1 2049780765 MVMYMHCYBWJAON-OFKSJOQMSA-N 252.314 -0.514 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)[C@H](O)C1 2068406574 MPOJDPWBBITZAZ-HTQZYQBOSA-N 254.242 -0.940 10 10 CBCE COc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1O 2108833363 WCDDJTXEWABNFI-FIDNZITISA-N 269.297 -0.655 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CC(OCCO)C2)cc1 2152288753 KYQKARKGQXCYGI-LBPRGKRZSA-N 282.340 -0.298 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc21 2161353985 DKKQSCAKCAMBGY-BREBYQMCSA-N 277.324 -0.169 10 10 CBCE O=C1N[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@@H]2O1 2176926566 IDUOASIBHHUAJG-VWYCJHECSA-N 275.264 -0.031 10 10 CBCE COc1cc(N2CC3(C2)OC[C@H](O)[C@H]3O)ccc1CO 2204536460 NFFLBGAHONPKSB-WCQYABFASA-N 281.308 -0.502 10 10 CBCE O=C(NCC[C@H](O)CCO)c1cc(O)nc(O)c1 2326768620 VPEODVGPZYFNPK-QMMMGPOBSA-N 256.258 -0.644 10 10 CBCE COc1ccc(N2CCN(CC(N)=O)CC2)c(N)c1 141335584 KTYZSFRRXGFKCQ-UHFFFAOYSA-N 264.329 -0.115 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H]1C(=O)O 384789532 RSZMJJFBPXIVIL-DTWKUNHWSA-N 280.280 -0.347 10 10 CBCE CN(C(=O)CN(CCO)CCCO)c1ccc(N)cc1 385453204 ZZLXGALJUDNMHY-UHFFFAOYSA-N 281.356 -0.092 10 10 CBCE NOCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 708763484 REKHZFWTBQAHSG-ZETCQYMHSA-N 270.241 -0.900 10 10 CBCE COc1cccc(CNC(=O)[C@@H](CO)NC(N)=O)c1O 1631540557 WAZRYWXCHGQSAZ-MRVPVSSYSA-N 283.284 -0.954 10 10 CBCE N=C(N)NCCC[C@H](N)C(=O)Nc1ccc(N)cc1 1866119237 IIFURVIGCSBWHH-JTQLQIEISA-N 264.333 -0.202 10 10 CBCE Cc1cc(CN)ccc1N1CCNC(=O)[C@@H]1C(N)=O 2127701765 PMLZJSUDVLQKTK-NSHDSACASA-N 262.313 -0.756 10 10 CBCE NC(=O)COC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2145378060 UZQQPLCSIKLTQY-LBPRGKRZSA-N 276.296 -0.671 10 10 CBCE CN1C[C@H](O)[C@@H](NC(=O)CCOc2ccc(N)cc2)C1 2146513573 KEJIRPPYTDMVKB-STQMWFEESA-N 279.340 -0.171 10 10 CBCE NC(=O)[C@@H]1CNC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2151063258 HMJHDDKYXYVDEW-DTWKUNHWSA-N 279.296 -0.709 10 10 CBCE CN(C)c1ccc(CNC(=O)NC[C@H](O)C(=O)O)cc1 2160468923 AADIQMGGEZUSLA-NSHDSACASA-N 281.312 -0.003 10 10 CBCE O=C(O)CC[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 2166538555 NIURGIYWUKADMA-SECBINFHSA-N 283.280 -0.018 10 10 CBCE NC(=O)C1(N)CN(c2cc3c(cc2N)NC(=O)CC3)C1 2191612485 GQTGAOJDUSSAPW-UHFFFAOYSA-N 275.312 -0.844 10 10 CBCE Cc1ccc(CN2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)c(O)c1 2204662706 MFCWZBMOYSUXRQ-GHMZBOCLSA-N 275.308 -0.501 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)ccc1CO 2273671542 GLVOXOJSLKXKDX-XBFCOCLRSA-N 267.325 -0.362 10 10 CBCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CN=c1nn[nH][nH]1 2297531941 NCKSVFJFEPMPQU-UHFFFAOYSA-N 299.250 -0.800 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c1 2308772471 CKJUBMVWXYLHPY-JBSCMGISSA-N 250.298 -0.100 10 10 CBCE N[C@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CO)ccc21 2332924482 MXHQAZNGNXEFLP-FQUUOJAGSA-N 264.325 -0.465 10 10 CBCE COc1ccc([C@@H](C)NC[C@@H](O)C(N)=O)c(O)c1 228629438 LHKLAWPZSBSZLV-RDDDGLTNSA-N 254.286 -0.102 10 10 CBCE COC[C@H](ONC(=O)c1ccc(O)c(O)c1)C(=O)O 709600429 HBXHYWCAMSPYTJ-VIFPVBQESA-N 271.225 -0.141 10 10 CBCE NC(=O)[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723171037 KRTUQDFIZUYNFC-HQJQHLMTSA-N 260.297 -0.050 10 10 CBCE CN1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1625783728 ZPAOYTOJXZUTGD-SECBINFHSA-N 264.281 -0.013 10 10 CBCE COC[C@](O)(CO)CNCc1cccc(F)c1O 1966067926 QVPMOHUQZPXCDG-GFCCVEGCSA-N 259.277 -0.009 10 10 CBCE Oc1ccc(CNCCn2cnnn2)c(O)c1O 2029974061 UWHWALXDHBMVIX-UHFFFAOYSA-N 251.246 -0.420 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NC(=O)Cc1ccc(N)cc1 2117458488 RUZRUUXSFXSALW-JQWIXIFHSA-N 263.297 -0.430 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCC(=O)NC1 2127088613 UEZDHCKQPSIZIN-QMMMGPOBSA-N 265.269 -0.157 10 10 CBCE N[C@@H]1COC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132417364 CTDBQKGJCMGNJF-JGVFFNPUSA-N 268.269 -0.493 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@H](O)C[C@@H](O)C2)cc1 2161396641 LHDRWOMZGGCPOM-VXGBXAGGSA-N 280.324 -0.008 10 10 CBCE CCN[C@@H]1C(=O)Nc2cc(N3CC(O)(CO)C3)ccc21 2171956346 GZFHUAUTQPAPAD-LBPRGKRZSA-N 277.324 -0.167 10 10 CBCE N[C@@H]1CCCc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CO)ccc21 2201037661 PKRNUKHREHBIMY-KBXIAJHMSA-N 278.352 -0.075 10 10 CBCE N[C@H]1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C(=O)O 100084152 VBKMDGXBOWYWHE-SSDOTTSWSA-N 299.264 -0.952 10 10 CBCE in-vitro COCCNCc1ccc(N2C[C@@H](O)[C@H](O)C2)cc1 234697192 VKNUVMSREAYZLM-ZIAGYGMSSA-N 266.341 -0.036 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCCO 236309556 DDTCHSYFZLEMDY-JTQLQIEISA-N 268.313 -0.144 10 10 CBCE O=C(NCC[C@@H](O)C(=O)O)c1cc(O)nc(O)c1 236531587 QJCCBQXGMFCNJZ-ZCFIWIBFSA-N 256.214 -0.942 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COCC[C@@H]2N)cc1 1876469062 XNOSTLJOZLXGQT-RYUDHWBXSA-N 285.369 -0.196 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CNCCO1 1968739866 XXKWEVBJRAKOTN-LBPRGKRZSA-N 266.297 -0.255 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)[C@H](O)C1 2027486075 XVOGBWJYGDYYRJ-GHMZBOCLSA-N 253.254 -0.796 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CONC1=O 2031694283 LZALSTXSAHZXGP-ZETCQYMHSA-N 252.226 -0.814 10 10 CBCE O=C(NCc1ccccc1O)[C@H]1CNC[C@@H](O)C1 2037837506 SSQQKRXVSGGJFL-MNOVXSKESA-N 250.298 -0.021 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]2[C@@H]1CO 2078308214 USTCEAJVASHEKD-YIZRAAEISA-N 250.254 -0.054 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)CCCO 2090384846 LGBQZVZXNLNMIH-SNVBAGLBSA-N 269.297 -0.110 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@H]1O 2105100819 GGNYZFNZLPJPAF-LPEHRKFASA-N 266.297 -0.393 10 10 CBCE O=C(NC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ccc(O)c(O)c1 2118056995 IYVDLVXMJYKLLV-HTQZYQBOSA-N 283.305 -0.129 10 10 CBCE NCc1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 2121545970 MXJBVMSQPJJUPN-AWEZNQCLSA-N 265.357 -0.380 10 10 CBCE CO[C@H]1CCNC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2235503739 UKKZMFOVWXWLIL-KCJUWKMLSA-N 282.296 -0.090 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)ccc1[C@H](C)N 2269661270 DSYTVCNMNLXCNF-VZLIPTOUSA-N 266.341 -0.083 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)NCCCN=[N+]=[N-] 63144149 NEDCPBQNAKOAFA-UHFFFAOYSA-N 270.336 -0.349 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H](O)C(F)F 236309736 XXQFCPBDBXZWCU-XVKPBYJWSA-N 290.266 -0.290 10 10 CBCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1cc(O)ccc1O 1153885405 NXLIIGFGDWZIGS-QMMMGPOBSA-N 279.252 -0.688 10 10 CBCE O=C1C[C@@H](c2cccc(O)c2O)[C@@H](C(=O)O)C(=O)N1 1951726711 XMNLIVTXCFEUJJ-IMTBSYHQSA-N 265.221 -0.071 10 10 CBCE NC(=O)NC1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2106927888 NQLKPQJPZOKMAV-UHFFFAOYSA-N 266.257 -0.056 10 10 CBCE CNC1(C(N)=O)CN(c2ccc3c(c2)OCCO3)C1 2109480936 KAMGSMQGNQGWAG-UHFFFAOYSA-N 263.297 -0.279 10 10 CBCE O=C(N[C@H]1COC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2132348543 NULNOQAHLOBNQK-YUMQZZPRSA-N 269.253 -0.460 10 10 CBCE O=C1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 2132350918 ROFXASFEQOCTEU-ZETCQYMHSA-N 266.253 -0.188 10 10 CBCE NC[C@@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCOC1 2132413494 NPIWHSUUSXZKFT-LBPRGKRZSA-N 268.269 -0.349 10 10 CBCE COc1cccc(O)c1CN[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O 2177946999 CDRLTYDSGRLVOY-NKBRHBOISA-N 283.324 -0.407 10 10 CBCE Cc1cc(N2CCN(C[C@H](O)CO)CC2)ccc1CO 2178034415 FLKRFGTZLJAMOF-HNNXBMFYSA-N 280.368 -0.037 10 10 CBCE O=C(O)C1=C[C@H](O)[C@H](NC(=O)c2cccc(O)c2O)C1 2188066553 QMQPFPRKYLJDQU-SCZZXKLOSA-N 279.248 -0.028 10 10 CBCE C[C@H](NS(=O)(=O)C[C@@H](N)C(=O)O)c1ccccc1O 2270505799 LBWGDMUAXBHMOV-IONNQARKSA-N 288.325 -0.216 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1 2289397065 FFWDZHMUMGIJNF-HNGHSSNUSA-N 284.331 -0.004 10 10 CBCE O=C(NCC[C@@H](O)CCO)c1ccc(O)c(O)c1 2326771344 AXVHQPIHIBPTRJ-SECBINFHSA-N 255.270 -0.039 10 10 CBCE OC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2332916878 WJPRJFRZJAYSAT-RFQIPJPRSA-N 265.309 -0.431 10 10 CBCE O=C(O)CN(CC(=O)O)C(=O)c1cccc(O)c1O 126027708 KRSDYPQZAPXXKK-UHFFFAOYSA-N 269.209 -0.291 10 10 CBCE Cc1cc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)ccc1CN 693393334 SNSXMXMSCRHEBO-TXEJJXNPSA-N 276.340 -0.523 10 10 CBCE CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(O)cc1O 697271677 YGDDLMZKVUWPHE-ZYHUDNBSSA-N 287.337 -0.001 10 10 CBCE CS(=O)(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 703158526 QYGDAMDUXOJKAP-NSHDSACASA-N 296.352 -0.624 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1COC[C@H]1O 708734516 JGAMCAJLIXEUGQ-GZMMTYOYSA-N 253.254 -0.071 10 10 CBCE CO[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 1158097148 NMRJGAJWURZEBW-VXGBXAGGSA-N 267.281 -0.142 10 10 CBCE O=C1NC(=O)[C@H](CC(=O)N2Cc3cccc(O)c3C2)N1 1335796924 TVADHQASIBQTOX-VIFPVBQESA-N 275.264 -0.168 10 10 CBCE Nc1ccc(CNC(=O)[C@H]2CN3CCN2CC3)cc1 2099562944 BCXLINXZCRZNFF-CYBMUJFWSA-N 260.341 -0.115 10 10 CBCE CO[C@@H]1C[C@H](NC(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2130695573 QHGQXUCPNHJGCU-HRDYMLBCSA-N 268.269 -0.239 10 10 CBCE CC1(C)[C@H](O)C[C@@]1(CO)NC(=O)c1cc(O)nc(O)c1 2193982565 DPXABGDXHXYOSX-OQPBUACISA-N 282.296 -0.256 10 10 CBCE O=C(NCCN1CCNCC1)Nc1cc(O)c(O)c(O)c1 217278753 PCHFZDZGLSUNCB-UHFFFAOYSA-N 296.327 -0.170 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1C(=O)CNC1=O 236450966 HPSJIUULQWQSNL-ZETCQYMHSA-N 280.236 -0.355 10 10 CBCE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1c(N)cccc1C(N)=O 697001004 LREMCKSCINXBFN-UWVGGRQHSA-N 299.352 -0.408 10 10 CBCE Nc1ccc(CCNS(=O)(=O)C2CNC2)cc1 923635170 BSBJVEGVWUFIPK-UHFFFAOYSA-N 255.343 -0.298 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2C[C@@H]2N)cc1 1876406535 QATJWIALUJYYRZ-SKDRFNHKSA-N 285.369 -0.086 10 10 CBCE O=C(N[C@@H]1CCNCC[C@@H]1CO)c1cc(O)nc(O)c1 1921722351 GQLSJUAQOHPWMT-PSASIEDQSA-N 281.312 -0.417 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O 2182538720 OSAQWUCASXZTHA-ZTCHHREXSA-N 280.280 -0.694 10 10 CBCE COc1cc(N)c(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1OC 2201039630 ZTALSPVIVSBEIG-GBIKHYSHSA-N 284.312 -0.811 10 10 CBCE O[C@@H]1COC2(CN(c3ccc4c(c3)CCO4)C2)[C@@H]1O 2226753447 WFJSHAIQNIMQCT-DGCLKSJQSA-N 263.293 -0.068 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1[C@H](C)O 2269678637 VWXBXZGEZXECBI-GSVCSZOMSA-N 267.325 -0.049 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1[C@@H]2COC[C@H]1C2 2357549613 ONDSCCJLXZORJJ-AXFHLTTASA-N 278.308 -0.033 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](O)[C@H](O)C1 235200774 XECMTNCAPIVJOX-FXAINCCUSA-N 265.313 -0.367 10 10 CBCE Nc1ccc(CC(=O)NC[C@H]2CN3CCN2CC3)cc1 394365987 OHTWQVIDBPNGFH-AWEZNQCLSA-N 274.368 -0.073 10 10 CBCE CN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1CO 687591941 RRBWZQIZQCTZLJ-SECBINFHSA-N 266.297 -0.154 10 10 CBCE NC(=O)C1=NO[C@@H](CNC(=O)NCc2ccccc2O)C1 1564741356 URIDKHPRHPYZCO-SECBINFHSA-N 292.295 -0.178 10 10 CBCE Cn1cc(C(=O)NCc2c(O)cccc2O)c(O)nc1=O 1639288924 BNCOBALTIKNFBF-UHFFFAOYSA-N 291.263 -0.173 10 10 CBCE O=C(CCn1cnnn1)NCc1cccc(O)c1O 1644710501 BHWCVIXDLUXTPX-UHFFFAOYSA-N 263.257 -0.209 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1(CO)CC(O)C1 1879577111 WTDMZGBFLPAEJG-UHFFFAOYSA-N 267.281 -0.358 10 10 CBCE NC(=O)C1(O)CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)C1 1915237208 BTHDBIXTSBRXTE-VIFPVBQESA-N 297.698 -0.638 10 10 CBCE NCCN(C(=O)c1ccc(O)c(O)c1)C1COC1 1915547887 BKGLDBKEVPKWHF-UHFFFAOYSA-N 252.270 -0.103 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N(CCO)C1COC1 1915676441 MMOWOFHJFKMGBQ-UHFFFAOYSA-N 267.281 -0.140 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@@H]2CNCCOC2)C1 2080223811 VIRAGKNPZWYZFV-GMTAPVOTSA-N 254.330 -0.122 10 10 CBCE O=C(NCC1(CCO)CNC1)c1cccc(O)c1O 2119214325 UFRKNNCGLHFXDL-UHFFFAOYSA-N 266.297 -0.200 10 10 CBCE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(=O)O 2176874593 JOBATPZHMSZJSK-LLVKDONJSA-N 283.280 -0.019 10 10 CBCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H](CN)C1 2188918037 BHGQICCQBFDCRG-VIFPVBQESA-N 281.312 -0.482 10 10 CBCE OC[C@@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)C[C@@H]1O 2234093074 QNPOKINMUZBVGX-KKUMJFAQSA-N 279.336 -0.039 10 10 CBCE C[C@H](NCC1(O)CS(=O)(=O)C1)c1ccc(O)cc1O 2267902171 QYGZHZIBZJCKBW-QMMMGPOBSA-N 287.337 -0.092 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1CN 2311714708 GADQZWYVFGWBQN-XQQFMLRXSA-N 252.314 -0.644 10 10 CBCE CN(C)C(=O)CNS(=O)(=O)Cc1ccc(N)cc1 37225187 MKPYSJGEULJBCL-UHFFFAOYSA-N 271.342 -0.224 10 10 CBCE Nc1ccc(NC(=O)CCN2C(=O)COCC2=O)cc1 41074484 KAKPDRFKYHUTGJ-UHFFFAOYSA-N 277.280 -0.017 10 10 CBCE C[C@H](CN)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 54343334 ZNCZAMWQCKWMSE-APPZFPTMSA-N 282.296 -0.196 10 10 CBCE C[C@H]1OCC[C@@]1(O)CNC(=O)c1cc(O)nc(O)c1 227189382 LSFGJTYSQQTHCF-JMCQJSRRSA-N 268.269 -0.238 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccc(O)c(O)c1 300438203 GPSPGYTWCNTKBM-FZVWWSIASA-N 264.281 -0.058 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)[C@@H](O)C3)ccc21 316881875 BSMSQTBOMXWRBG-HJIKLVIJSA-N 277.324 -0.311 10 10 CBCE Nc1ccc(CC(=O)NC[C@@H]2CN3CCN2CC3)cc1 394365991 OHTWQVIDBPNGFH-CQSZACIVSA-N 274.368 -0.073 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@H](CO)C3)ccc21 396795421 DRPNEHDSFCKRHV-HJIKLVIJSA-N 277.324 -0.182 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN2C[C@H](O)C[C@H]2C1 405308463 LXIDNYDMTFFCAX-WDEREUQCSA-N 278.308 -0.011 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c(Cl)c1 693398845 KZXKLILLSFCINB-RKDXNWHRSA-N 296.758 -0.178 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC(O)(C(=O)O)C1 706449141 QJHSCYHSCDAZAA-UHFFFAOYSA-N 253.210 -0.631 10 10 CBCE CC(=O)C(=O)COC(=O)c1cnc2c(c1)NC(=O)CO2 808532573 CDJCFVQEYALLDO-UHFFFAOYSA-N 278.220 -0.273 10 10 CBCE NC(=O)N1CC(NC(=O)CCOc2ccc(N)cc2)C1 1917784905 IUNGGMYCIKCNCW-UHFFFAOYSA-N 278.312 -0.083 10 10 CBCE O=C(O)[C@H]1C(=O)NC[C@H]1c1cc(O)c(O)c(O)c1 1951593043 RYVFLZWZGWZJJE-YLWLKBPMSA-N 253.210 -0.282 10 10 CBCE COC[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CNCCO1 2112570829 GFFPNNZSXHUXEL-KWBADKCTSA-N 270.329 -0.743 10 10 CBCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1(O)CNC1 2132408927 ASTHYMYRIUSBAS-ZCFIWIBFSA-N 268.269 -0.744 10 10 CBCE NC(=O)NC1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 2152865494 OXBGPIVXMXSIDL-UHFFFAOYSA-N 298.368 -0.113 10 10 CBCE O=C(N[C@@H]1COCC[C@@H]1C(=O)O)c1cc(O)nc(O)c1 2159038524 XFHWMUUWLMUTBN-JGVFFNPUSA-N 282.252 -0.288 10 10 CBCE C[C@H]1CNC(=O)CN1C[C@@H](O)COc1ccc(N)cc1 2181170862 GVHWOPTYAAKMCY-CMPLNLGQSA-N 279.340 -0.171 10 10 CBCE COC[C@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCNC1 2188913476 SDHPNKLWRFIIKX-ZDUSSCGKSA-N 282.296 -0.088 10 10 CBCE NCCN1CCN(C(=O)COc2ccc(N)cc2)CC1 2191668777 ZORONEZJGIJEBX-UHFFFAOYSA-N 278.356 -0.250 10 10 CBCE NC(=O)C1[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2201270107 GOHNEZDXFYQTSI-BQBZGAKWSA-N 278.264 -0.393 10 10 CBCE COc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(C=O)c1 2227697194 RSUITCZVSPWPIO-ZDUSSCGKSA-N 264.281 -0.066 10 10 CBCE Cc1cc(N2CCNC(=O)[C@H]2C(N)=O)ccc1[C@@H](C)O 2285176822 YTTOUTFNGQCNFY-BXKDBHETSA-N 277.324 -0.162 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@H](O)C1 40459842 PDJNTJXGUYRSPK-QWRGUYRKSA-N 280.324 -0.049 10 10 CBCE N[C@@H](c1nnc([C@@H](O)CO)o1)c1cc(F)ccc1O 83512412 IQWVQFWKOKRRQQ-DTWKUNHWSA-N 269.232 -0.012 10 10 CBCE O=C1CC[C@H](NCc2ccc(O)cc2O)C(=O)N1 89754185 ULUVJZKZPSMKSJ-VIFPVBQESA-N 250.254 -0.007 10 10 CBCE O=C1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)CN1 104333051 VHOCFBQQPFHZQN-SSDOTTSWSA-N 251.242 -0.499 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)[C@H](O)C3)cc21 234343438 XYBQCGYFWKILBM-IJLUTSLNSA-N 263.297 -0.795 10 10 CBCE CS(=O)(=O)C1CC(NCCN=[N+]=[N-])(C(=O)O)C1 716073285 PWMJBJPSTGWAFS-UHFFFAOYSA-N 262.291 -0.083 10 10 CBCE COC(=O)C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876126 SPVHMEYQGPAAAH-LURJTMIESA-N 299.235 -0.451 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NCC2CNC2)cc1 1876415855 OHEGXDVALWQNBU-UHFFFAOYSA-N 285.369 -0.214 10 10 CBCE [N-]=[N+]=N[C@@H]1CCCN([C@H]2CS(=O)(=O)C[C@H]2O)C1 1912201624 WUZWMONVTZGKAR-HRDYMLBCSA-N 260.319 -0.081 10 10 CBCE COc1cc(N2CCOC[C@@H]2C(N)=O)ccc1CN 2139700827 ORIPSKJLPYBQBE-LLVKDONJSA-N 265.313 -0.156 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](C(=O)O)C1COC1 2161177854 OVVHEQZGFVGARH-GFCCVEGCSA-N 281.264 -0.144 10 10 CBCE O=C(CN1CC[C@@H]1[C@H](O)CO)c1ccc(O)c(O)c1 2270709480 NVASULMNUMEIRJ-NOZJJQNGSA-N 267.281 -0.292 10 10 CBCE C[C@@H](O)CNS(=O)(=O)CCOc1ccc(N)cc1 70490602 AXVMLRNTSDDZLY-SECBINFHSA-N 274.342 -0.052 10 10 CBCE O=C1CN(c2ccc3c(c2)OCO3)C[C@H](CO)N1 259253238 MONQKPDALZIFKY-MRVPVSSYSA-N 250.254 -0.288 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1COC[C@H]1O 708722552 MKCQXFYQAVHBDW-HTQZYQBOSA-N 254.242 -0.676 10 10 CBCE CN1C(=O)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1=O 1568134428 VSGZUVMZTFLIHL-HWKANZROSA-N 290.275 -0.062 10 10 CBCE OCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2029661413 BBIKIULHISFTAB-STQMWFEESA-N 253.298 -0.263 10 10 CBCE NC[C@@H]1COC[C@H]1NC(=O)c1cccc(O)c1O 2029840051 DQZQAMIZVFINCC-VXNVDRBHSA-N 252.270 -0.199 10 10 CBCE CN(CC(=O)O)S(=O)(=O)NCc1ccc(N)cc1 2044144746 QPXZRQUKWXVOGG-UHFFFAOYSA-N 273.314 -0.380 10 10 CBCE COc1cc(C(=O)NC(CO)CO)cc(OC)n1 2048074996 OVLWBRYATOJIGA-UHFFFAOYSA-N 256.258 -0.818 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2COC[C@@H]2O)cc1 2097825468 WIUCRCNKSGPOMH-PWSUYJOCSA-N 286.353 -0.305 10 10 CBCE Cc1cccc(CNS(=O)(=O)C[C@H](N)C(=O)O)c1O 2139749997 BNOVOZPBJQQGDT-VIFPVBQESA-N 288.325 -0.468 10 10 CBCE O=C(O)CO[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2153117672 FRDUSBVZFRZLAV-QMMMGPOBSA-N 282.252 -0.192 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)cc1 2166791130 OWQYLRRVOHURNW-ZHAHWJHGSA-N 275.308 -0.457 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@@H]1CO 2174276194 RRHBWJUIRFLVMJ-MXWKQRLJSA-N 280.324 -0.288 10 10 CBCE CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C1(CO)CC1 2184607860 MMCNZGWXJRLROU-JTQLQIEISA-N 280.324 -0.049 10 10 CBCE CN1CCN[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188926122 XKADWRCZXUBAOE-VIFPVBQESA-N 281.312 -0.563 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1F 2219612452 MWOKXSCOOMYUQC-SCVCMEIPSA-N 257.261 -0.263 10 10 CBCE CC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486854 SZSULUONVPYCSI-RKDXNWHRSA-N 282.296 -0.053 10 10 CBCE CC[C@@H]1C(=O)NCCN1C(=O)c1cc(O)nc(O)c1 110682293 OQLWIKOYDYLHJZ-MRVPVSSYSA-N 265.269 -0.157 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN2C(=O)NC[C@@H]2C1 226998710 ZUDRUDFYJCCIFU-SECBINFHSA-N 277.280 -0.053 10 10 CBCE NC(=O)[C@H]1CNCCN1Cc1cc(F)ccc1O 236214458 RZPSUXZDYOWLEW-SNVBAGLBSA-N 253.277 -0.210 10 10 CBCE CN(C(=O)C[S@@](=O)CC(N)=O)c1ccc(N)cc1 305946895 GSNRPPWYDHPJIE-SFHVURJKSA-N 269.326 -0.534 10 10 CBCE CN(CCC(N)=O)C(=O)Cc1ccc(O)c(O)c1 1568724954 VWEQISXOGNHLEA-UHFFFAOYSA-N 252.270 -0.026 10 10 CBCE O=C(O)[C@H]1C(=O)NCC[C@H]1c1cc(O)nc(O)c1 1952608994 UCONFPLLMPDLIE-IMTBSYHQSA-N 252.226 -0.203 10 10 CBCE NS(=O)(=O)NCCNCc1ccc(F)c(F)c1O 2039826281 FEJWGAKFBKSENI-UHFFFAOYSA-N 281.284 -0.447 10 10 CBCE C[C@@H]1CNC(=O)CN1C(=O)COc1ccc(N)cc1 2124759259 NTOMCTGVWPLMFT-SECBINFHSA-N 263.297 -0.006 10 10 CBCE CO[C@H]1COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132408086 UHHZZIJWVGJTCF-XCBNKYQSSA-N 269.253 -0.053 10 10 CBCE NC(=O)[C@H]1CNC[C@@H](NC(=O)c2cccc(O)c2O)C1 2151065222 UPTWTQUQAMXOKA-SFYZADRCSA-N 279.296 -0.709 10 10 CBCE Cc1cc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)ccc1CO 2166790134 CFFLMOFLSFSNAS-VXGBXAGGSA-N 275.308 -0.709 10 10 CBCE C[C@@H](NS(=O)(=O)C[C@@H](N)C(=O)O)c1ccccc1O 2270514457 LBWGDMUAXBHMOV-VXNVDRBHSA-N 288.325 -0.216 10 10 CBCE COc1cc(N2CC3(CNC(=O)CO3)C2)ccc1CO 2289660748 REFGGDKOCULNJM-UHFFFAOYSA-N 278.308 -0.107 10 10 CBCE NC(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 690785515 PDXAYVVUCBZOHW-LLVKDONJSA-N 298.368 -0.159 10 10 CBCE CN(C)C[C@@H](O)CNC(=O)c1cccc(O)c1O 717411293 DUIXXKPIUKRPDW-QMMMGPOBSA-N 254.286 -0.250 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCc1nc(O)n[nH]1 1137239839 JODDAFHHESHNHU-UHFFFAOYSA-N 264.241 -0.220 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CNCCOC2)cc1 1876463995 XTBXAHMZURSTMX-LBPRGKRZSA-N 285.369 -0.323 10 10 CBCE N[C@H]1COCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1972841887 VOWWBXWIRKEFJX-SNVBAGLBSA-N 266.297 -0.174 10 10 CBCE CN1C[C@@H](O)[C@H](Nc2c(N)cccc2C(N)=O)C1 2046433053 LIRLIGAKARTIFG-NXEZZACHSA-N 250.302 -0.546 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3N2)C1 2049783320 URAQGKQRRAOXLS-NDCWEZFPSA-N 252.314 -0.229 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NCc1ccc(O)c(O)c1 2053779294 GJNDEIYFMNWGMP-KWQFWETISA-N 252.270 -0.170 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c(O)c1 2108832880 SFDLLNQIZHBATQ-MGAJPHDKSA-N 269.297 -0.655 10 10 CBCE COC(=O)[C@H](N)CCNC(=O)Cc1ccc(O)c(O)c1 2144797870 DDUBQYXOJUJXDS-SECBINFHSA-N 282.296 -0.353 10 10 CBCE O=C(O)CN1CC[C@H](NC(=O)c2cccc(O)c2O)C1 2169328536 YJSFKKODXVZOGF-QMMMGPOBSA-N 280.280 -0.014 10 10 CBCE CN1CCc2cc(N3CC4(C3)OC[C@H](O)[C@H]4O)ccc21 2235126655 JLTLWCIIQMHWJQ-UONOGXRCSA-N 276.336 -0.010 10 10 CBCE NCCCC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2289770348 JTYWFFMTKRYSRA-QMMMGPOBSA-N 283.284 -0.195 10 10 CBCE NC(=O)[C@@H](O)CNCc1cc2c(cc1O)OCO2 228609655 JIFTYRLNVQFVLV-QMMMGPOBSA-N 254.242 -0.943 10 10 CBCE CN(C[C@@H](N)CN)c1ccc2c(c1)NC(=O)CO2 259182142 WEGPUZOWJVZGKT-QMMMGPOBSA-N 250.302 -0.260 10 10 CBCE COCCN1CC[C@](NCCN=[N+]=[N-])(C(N)=O)C1 328470912 LEOGEQVSQKLNGX-SNVBAGLBSA-N 256.310 -0.538 10 10 CBCE CC(C)(O)[C@H](O)C(=O)NCc1ccc(O)c(O)c1 1465955599 ZGDVTZJZTXISFB-SNVBAGLBSA-N 255.270 -0.154 10 10 CBCE O=C1N[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CO1 1636022882 SIBJNIALDYYXLS-MRVPVSSYSA-N 266.253 -0.135 10 10 CBCE COCCNS(=O)(=O)NCCc1ccc(O)c(O)c1 2091750719 HDKAAPRRMVTVGG-UHFFFAOYSA-N 290.341 -0.289 10 10 CBCE Oc1c(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)ccc(F)c1F 2108831341 VYGMLASLACCNKV-IWXIMVSXSA-N 275.251 -0.385 10 10 CBCE CN(C(=O)CN1CC(O)(CO)C1)c1ccc(N)cc1 2115311437 WQXLHZOJXLIVDA-UHFFFAOYSA-N 265.313 -0.729 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(O)(CO)C3)cc21 2115313557 IKUWMJMMZPRXMV-LLVKDONJSA-N 263.297 -0.794 10 10 CBCE C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1O)c1c(O)cccc1O 2121364265 NKHQOBACINOGMR-LAEOZQHASA-N 287.337 -0.094 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN=C2NC=NC=C21 2158694711 LGXODDIIOUVVGI-UHFFFAOYSA-N 273.252 -0.180 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](N2CC(O)C2)C1 2158749586 VRMBVDLKNVJCBK-SECBINFHSA-N 279.296 -0.616 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2CNC[C@H]12)c1cc(O)c(O)c(O)c1 2188922730 HUMLASNDBYVKKQ-SOCHQFKDSA-N 280.280 -0.480 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(C)c1 2312393988 WBZBEZAABTWGMS-UPJWGTAASA-N 253.298 -0.094 10 10 CBCE C[C@@H]1C(=O)NCCN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131390866 INZBVWSUIQGFBS-PRHODGIISA-N 274.324 -0.013 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@H](F)[C@@H]1O 1614606318 KTOLOIKYVCHRJW-UTSKPXGSSA-N 286.223 -0.705 10 10 CBCE C[C@H](NCCNS(N)(=O)=O)c1c(O)cccc1O 2039814230 SBNMNXHCONJDBX-ZETCQYMHSA-N 275.330 -0.459 10 10 CBCE CC(CO)(CO)NC(=O)c1cc(O)c(O)c(O)c1 2068576291 IHYZIYUWUOWDKU-UHFFFAOYSA-N 257.242 -0.724 10 10 CBCE CNC1CN(S(=O)(=O)N(C)Cc2ccccc2O)C1 2102763446 WDSAVZNECGPMPY-UHFFFAOYSA-N 285.369 -0.028 10 10 CBCE Cn1cnc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)n1 2146940873 ZBIKJPKVFNEAME-QMMMGPOBSA-N 277.284 -0.265 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N(C)C3CS(=O)(=O)C3)cc21 2152233963 NUDUIEDGHILHTN-GFCCVEGCSA-N 296.348 -0.070 10 10 CBCE Nc1ccc(O)c(CNC(=O)C2[C@@H]3CS(=O)(=O)C[C@@H]23)c1 2174577352 QCTMRTCNXXLDKK-NXEZZACHSA-N 296.348 -0.119 10 10 CBCE Nc1ccc(N2C(=O)N[C@@H](C3CS(=O)(=O)C3)C2=O)cc1 2197517366 NWUJSZFVLSNNKM-JTQLQIEISA-N 295.320 -0.262 10 10 CBCE Nc1ccc(CCCN2CC[C@@](O)(CO)[C@H](O)C2)cc1 2234101267 QJIBHJNXZWWSEO-HUUCEWRRSA-N 280.368 -0.009 10 10 CBCE N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)c1cc(O)nc(O)c1 227462268 DTSHGCQZFATRFA-BWWFWGKFSA-N 279.296 -0.273 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 234504794 XTXJRRMSIXUESF-GRYCIOLGSA-N 263.297 -0.559 10 10 CBCE C[C@H](c1ccc(O)cc1O)N1CCNC[C@H]1C(N)=O 251501830 GEJKPLCXRDFGHK-KCJUWKMLSA-N 265.313 -0.082 10 10 CBCE NCc1ccc(N2CC[C@](O)(C(N)=O)C2)c(F)c1F 382038104 TUIOOFGLOKMDDM-GFCCVEGCSA-N 271.267 -0.150 10 10 CBCE C[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CC(=O)N1 395735995 VSOIZTPBEFZHNQ-ZETCQYMHSA-N 276.296 -0.076 10 10 CBCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1CO 687607939 LWYGROVLVGVMDF-CYBMUJFWSA-N 299.396 -0.293 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H]3CO)ccc21 698113629 GNTSXTXEVMEBTJ-LNLATYFQSA-N 263.297 -0.430 10 10 CBCE COCCn1nc(C(=O)NCCN=[N+]=[N-])ccc1=O 701336398 IBTMAUIJPLGLII-UHFFFAOYSA-N 266.261 -0.070 10 10 CBCE NC(=O)C1(O)CN(c2c(F)cc(CO)cc2F)C1 1915236075 IKHIARBCIAXHIS-UHFFFAOYSA-N 258.224 -0.507 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)cc1F 1924755086 XLRBFBKDZSKMBA-OCAPTIKFSA-N 298.295 -0.058 10 10 CBCE CS[C@H]1CNC[C@H]1NC(=O)c1cc(O)nc(O)c1 2084772357 MJHVSWBYLAXHQD-SFYZADRCSA-N 269.326 -0.074 10 10 CBCE COCC1(CNC(=O)c2cc(O)nc(O)c2)CNC1 2121530682 BOGYOVHEDWYKFG-UHFFFAOYSA-N 267.285 -0.541 10 10 CBCE Nc1ccc(O)c(CN2CC3(C2)OC[C@@H](O)[C@H]3O)c1 2127255508 AFJUYLBUMAPJGC-VXGBXAGGSA-N 266.297 -0.719 10 10 CBCE C[C@](CO)(NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132347931 AGDOVWYOPYSLTQ-LLVKDONJSA-N 271.225 -0.631 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@H]1CC(=O)NC1=O 2171191653 BCULYKBRFSAUIY-GXSJLCMTSA-N 275.264 -0.477 10 10 CBCE CN1CCN(C(=O)C2=C[C@@H](O)[C@H](N)C2)c2cnccc21 2188033406 UIJPFWKXNQSQTK-ZWNOBZJWSA-N 274.324 -0.117 10 10 CBCE N[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2188785973 CCGXGUOTOFJPSG-HTQZYQBOSA-N 281.268 -0.491 10 10 CBCE CC(C)(NC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)C(=O)O 2188868474 RRZNQFYKWGVKNV-SECBINFHSA-N 285.252 -0.243 10 10 CBCE NC[C@H](O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 2191893597 CDMZYNBMEWBELL-NSHDSACASA-N 275.312 -0.496 10 10 CBCE CC(=O)c1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@H]2CO)c1 2201050843 AZTROZUMWGGDFB-KWCYVHTRSA-N 281.308 -0.507 10 10 CBCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)N1CC(O)C1 2213598309 SMLFOFVZQIBFAK-HTQZYQBOSA-N 261.307 -0.271 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2273671661 HQURSSJGXRLFSS-PCGAWMICSA-N 267.325 -0.110 10 10 CBCE CCN1C(=O)C(=CNCCCN(C)C)C(=O)NC1=S 2296125675 MNDIPCGROWDQGJ-UHFFFAOYSA-N 284.385 -0.325 10 10 CBCE CCN(CC)CCNC=C1C(=O)NC(=S)N(C)C1=O 2296136195 SZRMBLRNMMSRMG-UHFFFAOYSA-N 284.385 -0.325 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)[C@H]2COC[C@H]21 2329204395 COZUJEZAULFALE-YGOYTEALSA-N 265.265 -0.071 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332913797 UXYGLOCUHWZVEZ-KQXJFYCDSA-N 271.288 -0.218 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC([C@H](O)CO)C1 2336770557 BVDOVQMLPXCWCU-SNVBAGLBSA-N 269.253 -0.771 10 10 CBCE Nc1ccc(-n2nnc(C(=O)NCC(=O)O)n2)cc1 1857878778 MKLJXTIQSGPRKH-UHFFFAOYSA-N 262.229 -0.941 10 10 CBCE C[C@H](O)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876109 RXHHQWUJPPJRFN-NVNXEXLPSA-N 271.225 -0.633 10 10 CBCE NCC1(O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 2037227556 XTBAGGKTPGNIHT-UHFFFAOYSA-N 252.270 -0.828 10 10 CBCE C[C@H](NC(=O)[C@@H](N)CC(N)=O)c1ccccc1O 2072489481 HNXYIVGZHWRZMM-CBAPKCEASA-N 251.286 -0.228 10 10 CBCE Nc1ccc(CCN2CCOC[C@@H]2[C@H](O)CO)cc1 2090136480 PZPYLSZJFQWMIS-ZIAGYGMSSA-N 266.341 -0.135 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@H](O)C1)OCCO2 2105074148 OHKFQCUVTNHPQL-IUCAKERBSA-N 266.297 -0.028 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H](O)[C@@H](O)[C@H]1C2 2173342547 CLMQLGHZQSYKNT-WJOUQXRDSA-N 280.280 -0.551 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O 2182529454 IUULBZZPCARUMO-KGOITJQVSA-N 279.292 -0.089 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183722028 MODLHESBXJODOJ-MNOVXSKESA-N 281.264 -0.956 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC2(C1)OC[C@H](O)[C@@H]2O 2183722029 MODLHESBXJODOJ-QWRGUYRKSA-N 281.264 -0.956 10 10 CBCE O=C(O)C[C@@H]1COC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2187923465 CXDGHKYJRZFIBI-SFYZADRCSA-N 282.252 -0.288 10 10 CBCE CC1(C)C[C@@H](O)[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2188672062 GGGZXQHPCQDOEM-RKDXNWHRSA-N 282.296 -0.161 10 10 CBCE CNC1(C(N)=O)CN(c2cc(OC)c(OC)cc2N)C1 2191617952 XSPIDLUGUNCAHJ-UHFFFAOYSA-N 280.328 -0.451 10 10 CBCE COc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(C=O)c1 2235987361 QLTZCSPBALZORN-NSHDSACASA-N 277.280 -0.702 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CCN1Cc1ccccc1O 2332930155 QFUCRHXUPFBETH-IJLUTSLNSA-N 267.281 -0.227 10 10 CBCE Nc1ccc(NC(=O)CN(CCO)CCO)cc1 40694905 ZVQRHAJOZBCCLL-UHFFFAOYSA-N 253.302 -0.506 10 10 CBCE NC1=C[C@H](C(=O)O)C(=S(=O)=O)C([N+](=O)[O-])=C1Cl 95932728 GBQOGOGKLFWAFM-REOHCLBHSA-N 280.645 -0.678 10 10 CBCE NC(=O)CCN1C(=O)Cc2cc(N3CCNCC3)ccc21 259403329 IOONOXCPUNRJSG-UHFFFAOYSA-N 288.351 -0.139 10 10 CBCE CNC(=O)C1CN(CC(=O)N(C)c2ccc(N)cc2)C1 382003909 VFLOWHJCMVKADO-UHFFFAOYSA-N 276.340 -0.091 10 10 CBCE NC[C@]1(CO)COCCN1Cc1ccc(O)cc1O 693931754 CVWMKIPNWRYWMQ-ZDUSSCGKSA-N 268.313 -0.380 10 10 CBCE Cc1ccc(C(=O)NCCc2nnnn2C)c(O)c1O 781012588 GQNLXFXGORTVNF-UHFFFAOYSA-N 277.284 -0.098 10 10 CBCE OCC(O)(CO)CNCc1ccc2c(c1)CCO2 1913786547 NGYWKAOIOFBFOX-UHFFFAOYSA-N 253.298 -0.573 10 10 CBCE O=C1C[C@@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)C(=O)N1 1951735232 OWHABIJQECRISC-QUBYGPBYSA-N 265.221 -0.071 10 10 CBCE Nc1ccc(CN2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2063733734 WTEBUYJZIFLPKL-RYUDHWBXSA-N 250.298 -0.425 10 10 CBCE O[C@H]1[C@@H](NCc2ccc3c(c2)CCO3)C[C@@H](O)[C@H]1O 2108830047 HFZIXIMPTYKQLI-UZGDPCLZSA-N 265.309 -0.434 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)ccc21 2132134373 GNCFNOAHDFZUOU-WOPDTQHZSA-N 263.297 -0.430 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)C[C@@H]1CO 2136063569 XEYTWUGZNWJUSB-BDAKNGLRSA-N 268.269 -0.549 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1cccc(O)c1O 2142491318 UQFHUQQNQHTCEI-GXSJLCMTSA-N 287.337 -0.001 10 10 CBCE NCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)c(F)c1 2166790148 COVMSXIAQKNPPG-AOOOYVTPSA-N 278.287 -0.912 10 10 CBCE CN1CCN(C(=O)C2=C[C@H](O)[C@H](N)C2)c2cccnc21 2188029569 GMFYAJHNZOKYAG-PWSUYJOCSA-N 274.324 -0.117 10 10 CBCE NCC12CC(NS(=O)(=O)Cc3ccc(N)cc3)(CO1)C2 2191643066 FZRVUPNCRRDPPI-UHFFFAOYSA-N 297.380 -0.052 10 10 CBCE CN1CCc2cc(N3CC4(C3)OC[C@@H](O)[C@H]4O)ccc21 2235126656 JLTLWCIIQMHWJQ-ZIAGYGMSSA-N 276.336 -0.010 10 10 CBCE NC(=O)[C@H]1COCCN1Cc1cc(N)ccc1O 129325168 HPASSBRGTAHTLB-SNVBAGLBSA-N 251.286 -0.340 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCCc2ccccc2F)C1=O 169995742 FSXCMYQDWJOFLU-JTQLQIEISA-N 293.298 -0.006 10 10 CBCE NC(=O)c1noc([C@@H](N)Cc2ccc(O)c(O)c2)n1 227229962 NKKBGSNQZHOTBA-LURJTMIESA-N 264.241 -0.178 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H]1CCC(=O)N1 312222995 FHRGQZLXLQXZNZ-GFCCVEGCSA-N 276.340 -0.165 10 10 CBCE COc1ccc(CN[C@H]2CN(C)NC2=O)c(O)c1 393908923 VEVDUBWBVXONJA-JTQLQIEISA-N 251.286 -0.164 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 693454360 OCDDSBCBAOJXRJ-FBIMIBRVSA-N 277.324 -0.028 10 10 CBCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1COC[C@H]1O 709342805 FJPUDOJPZSGAEQ-WDEREUQCSA-N 279.296 -0.204 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 1876411621 SGJOUKHGOVLQPM-NWDGAFQWSA-N 285.369 -0.508 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1912170848 CMONEAUVWQPCLJ-WDSKDSINSA-N 252.234 -0.504 10 10 CBCE CN1CCc2cc(CNCC(O)(CO)CO)ccc21 1913789205 GWAZLAZARMVQMD-UHFFFAOYSA-N 266.341 -0.516 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CNC[C@@H]2O)cc1 2071847372 DXYTWAYVAFZDCN-MNOVXSKESA-N 251.286 -0.904 10 10 CBCE COc1cc(N2C[C@@H](O)[C@H](CO)C2)ccc1CN 2084016463 JNTZHJLEYIRBEL-CMPLNLGQSA-N 252.314 -0.057 10 10 CBCE COc1cc(N2C[C@@H](CO)[C@@H](O)C2)ccc1CN 2084016464 JNTZHJLEYIRBEL-JQWIXIFHSA-N 252.314 -0.057 10 10 CBCE COc1cc(N2CCOC[C@H]2C(N)=O)ccc1CN 2139700828 ORIPSKJLPYBQBE-NSHDSACASA-N 265.313 -0.156 10 10 CBCE O=C(CN1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O)c1ccc(O)c(O)c1 2160688814 GHLUFRWNJBHGSE-VQSQSKOLSA-N 279.292 -0.294 10 10 CBCE Nc1cc2c(cc1N1C[C@H]3C[C@H]1[C@@H](O)[C@H]3O)OCCO2 2160703556 KUOFTNQTNHNSRF-KUQGBDSZSA-N 278.308 -0.030 10 10 CBCE NCc1cc(F)c(N2CCNC(=O)[C@H]2C(N)=O)c(F)c1 2184134269 BQKOLKKTPSUDIH-SNVBAGLBSA-N 284.266 -0.786 10 10 CBCE N[C@H]1CCc2cc(N3CC4(C3)OC[C@H](O)[C@H]4O)ccc21 2184736275 RFCAKMYYTBPQQM-MELADBBJSA-N 276.336 -0.057 10 10 CBCE O=C(O)[C@H](O)CN1CCc2cc(O)c(O)cc2C1 2318664414 YSIQOXOAMMCPAN-LLVKDONJSA-N 253.254 -0.099 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@@H](O)[C@@H](O)[C@H]1C2 2355343755 CLMQLGHZQSYKNT-YWZCALJYSA-N 280.280 -0.551 10 10 CBCE Nc1ccc(CS(=O)(=O)N(CCO)CCCO)cc1 385373445 RLUWXRDGRUDRCV-UHFFFAOYSA-N 288.369 -0.225 10 10 CBCE Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c(O)c1O 862681590 JKWGVVPJBBXOTN-APPZFPTMSA-N 280.280 -0.533 10 10 CBCE Cc1ccc(C(=O)N2C[C@H](O)[C@@H](CO)C2)c(O)c1O 1299167758 BIJJDDZZLKELAN-SCZZXKLOSA-N 267.281 -0.169 10 10 CBCE CN(Cc1ccccc1O)C(=O)N[C@H](CO)C(=O)O 1877539230 SWACCTUPYYXTOE-SECBINFHSA-N 268.269 -0.021 10 10 CBCE COCCNC(=O)NC(=O)CN1CC(N=[N+]=[N-])C1 1912150088 OVLNQIQXYHTDTF-UHFFFAOYSA-N 256.266 -0.547 10 10 CBCE CN1CC(=O)N(CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1=O 1912156425 OQMSSIIQYYUZLF-SSDOTTSWSA-N 266.261 -0.208 10 10 CBCE NC1CC(O)(CNC(=O)c2ccc(O)c(O)c2)C1 2045137792 UPGLZAJFXLLXLM-UHFFFAOYSA-N 252.270 -0.320 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CC[S@@](=O)C3)c2n1 2062045463 DAWCCJMTXOGLPN-FFVOIRBGSA-N 294.336 -0.006 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NC(=O)c1cccc(O)c1O 2117487650 ZENNEYRKMNVWRN-XVKPBYJWSA-N 266.253 -0.530 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O)c1cc(O)ccc1O 2177942533 AHLHRHFKFDBDBP-RPKBLARCSA-N 283.324 -0.149 10 10 CBCE O=C(N[C@H](C(=O)O)C1(O)CCC1)c1cc(O)nc(O)c1 2188012131 DYEFVNXIOLBMFH-SECBINFHSA-N 282.252 -0.409 10 10 CBCE Nc1ccc(OCC(=O)N2CCN[C@@H]3COC[C@H]32)cc1 2191897923 GMJGTZYDYLOSQK-CHWSQXEVSA-N 277.324 -0.153 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N(CC(N)=O)CC(N)=O 2232092493 UHYSSUJXXUAUJD-SECBINFHSA-N 265.313 -0.175 10 10 CBCE CCOC(=O)CNC(=O)[C@@H](N)c1cccc(O)c1O 83496896 LDCXCPFGIRUHLQ-JTQLQIEISA-N 268.269 -0.223 10 10 CBCE CC(CO)(CO)NS(=O)(=O)Cc1ccc(N)cc1 125560575 ACQYCHPQTQPOJG-UHFFFAOYSA-N 274.342 -0.569 10 10 CBCE N[C@]1(C(=O)O)CCN(C(=O)c2cc(O)nc(O)c2)C1 229247573 BRHZEQSLVWPGKN-LLVKDONJSA-N 267.241 -0.879 10 10 CBCE Nc1cc2c(cc1N1CC[C@](O)(CO)C1)OCCO2 313651730 KUVXEONCTVXQPY-CYBMUJFWSA-N 266.297 -0.027 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](CO)[C@H](O)C1 1154148331 YVMTXGNKNXRMGC-GXFFZTMASA-N 281.308 -0.158 10 10 CBCE Nc1ccc(CCC(=O)NC[C@H]2CNC[C@@H]2O)cc1 1876519846 QMIQKRBTQRIPIK-YPMHNXCESA-N 263.341 -0.102 10 10 CBCE [N-]=[N+]=NC1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1912182264 ZKZDDENEISJSKW-RKDXNWHRSA-N 260.319 -0.081 10 10 CBCE OCC(O)(CO)CNCc1c(O)cccc1Cl 1913798935 IPYFKIYIKROVDK-UHFFFAOYSA-N 261.705 -0.149 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)C[C@H](O)C1 2105107177 DEBWHWFAIDYDHJ-UWVGGRQHSA-N 267.281 -0.406 10 10 CBCE C[C@H](O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2125478276 JWBCEVVKCOHCFJ-XPUUQOCRSA-N 269.253 -0.410 10 10 CBCE CO[C@@H]1C[C@H](NC(=O)c2cc(O)nc(O)c2)C[C@H]1O 2130695574 QHGQXUCPNHJGCU-IWSPIJDZSA-N 268.269 -0.239 10 10 CBCE CO[C@@H]1CNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132412519 FDVWDWIMUHSETM-OIBJUYFYSA-N 268.269 -0.480 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2136340958 JQGUZPVEZNHNMI-RDBSUJKOSA-N 266.341 -0.400 10 10 CBCE Cc1cc(CO)ccc1N1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1 2166790503 HOUKBSQKPSEBQA-PHIMTYICSA-N 275.308 -0.709 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC3(CNC(=O)C3)C2)cc1 2176155938 AGPBLOJRNWKBFF-UHFFFAOYSA-N 295.364 -0.080 10 10 CBCE CN(C)c1ncc2nc(C3=C[C@H](O)[C@@H](N)C3)n(C)c2n1 2188019381 HCYIXUXJPKEBRU-WPRPVWTQSA-N 274.328 -0.095 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)OCCO2 2226782403 YIKSVVKDUBGEPX-BREBYQMCSA-N 267.281 -0.640 10 10 CBCE Nc1ccc(CN2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2260792306 LVUCVLGHEJMJMX-WCFLWFBJSA-N 252.314 -0.585 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](O)[C@@H](O)CC2)cc1 2284536671 KFDPEVHMMJVOQA-STQMWFEESA-N 280.324 -0.008 10 10 CBCE C[C@H](N)[C@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2341198469 NTBNRZKTPLHAJZ-MADCSZMMSA-N 266.297 -0.309 10 10 CBCE O=C(NCC[C@@H](O)CCO)c1cc(O)c(O)c(O)c1 2351739914 JJDRAXACQKRJJT-MRVPVSSYSA-N 271.269 -0.333 10 10 CBCE NC(=O)[C@]1(O)CCN(c2cc3c(cc2N)OCCO3)C1 312428779 IATRQGHRJRHKGG-ZDUSSCGKSA-N 279.296 -0.534 10 10 CBCE CC[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 379151336 CDUIITUCRZTBCS-SNVBAGLBSA-N 271.342 -0.048 10 10 CBCE COCC(=O)N[C@H](C(=O)OCC(=O)C(C)=O)C(C)C 808519450 BQDGXEGLJSAFKY-NSHDSACASA-N 273.285 -0.525 10 10 CBCE CCc1cccc(CNCCNS(N)(=O)=O)c1O 2039823749 FMNQWKAEADDIGV-UHFFFAOYSA-N 273.358 -0.163 10 10 CBCE COC[C@@](C)(CN)NC(=O)c1cc(O)c(O)c(O)c1 2132417316 CLIHNSYRPYBYQS-GFCCVEGCSA-N 270.285 -0.103 10 10 CBCE COc1cc(N2CC[C@](O)(C(N)=O)C2)ccc1CN 2139685805 HKFOBORXGUKKFS-CYBMUJFWSA-N 265.313 -0.420 10 10 CBCE O=C(O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144020445 UMNNTSVEMNPJHO-ZETCQYMHSA-N 283.236 -0.316 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H](CO)C[C@@H]2OCC[C@H]21 2146631193 DCCOUOLOKNFYRS-AEJSXWLSSA-N 280.280 -0.143 10 10 CBCE O=C(Nc1[nH]nnc1C(=O)O)c1cc(O)c(O)c(O)c1 2188867770 GLIHFJULVPKAQD-UHFFFAOYSA-N 280.196 -0.128 10 10 CBCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)CN1C(=O)CNC1=O 2225796302 VYMYAWSSFKPCBV-NKWVEPMBSA-N 266.261 -0.114 10 10 CBCE C[C@@H](N)[C@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2341198466 NTBNRZKTPLHAJZ-KRTXAFLBSA-N 266.297 -0.309 10 10 CBCE [N-]=[N+]=NCCNS(=O)(=O)C1CCS(=O)(=O)CC1 50351800 BVQSXDQRBLQXLK-UHFFFAOYSA-N 282.347 -0.207 10 10 CBCE Nc1ccc(-n2ccc(C(=O)NC(CO)CO)n2)cc1 87749141 KFJGKNQMAQHRHH-UHFFFAOYSA-N 276.296 -0.463 10 10 CBCE O=C(NCCOC1CCNCC1)c1cc(O)nc(O)c1 111789888 RJVDHPHHDYRHHF-UHFFFAOYSA-N 281.312 -0.009 10 10 CBCE CCS(=O)(=O)NCC(=O)NCc1c(O)cccc1O 1456237897 XAICDGVOBVTHAS-UHFFFAOYSA-N 288.325 -0.347 10 10 CBCE O=C1N[C@@H](C(=O)NCc2ccc(O)cc2O)CO1 1469158915 GWBXEYQMWCVMIS-MRVPVSSYSA-N 252.226 -0.178 10 10 CBCE CN1C(=O)CN(C(=O)Cc2ccc(O)c(O)c2)CC1=O 1639515459 QOJCPDAMYIYZDN-UHFFFAOYSA-N 278.264 -0.533 10 10 CBCE COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nn[nH]n1 1644688703 DMRZLWSRULONNY-MRVPVSSYSA-N 293.283 -0.343 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC2CNC2)cc1 2016968843 CSRPBBJFFSZPHY-UHFFFAOYSA-N 255.343 -0.092 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)C[C@H](O)C1 2043182038 NBWHTHITPWQXQP-IUCAKERBSA-N 253.254 -0.335 10 10 CBCE CS(=O)(=O)C1CN(C(=O)COc2ccc(N)cc2)C1 2095959606 PQVWDLWXMHAYIN-UHFFFAOYSA-N 284.337 -0.097 10 10 CBCE Nc1cc2c(cc1N1CC[C@H](O)[C@@H](O)C1)OCCO2 2132138341 SQPYTKRYDGBSON-QWRGUYRKSA-N 266.297 -0.028 10 10 CBCE O=C(NCc1nc(=O)o[nH]1)c1cc(O)c(O)c(O)c1 2132405295 YFORCESLPAMQQN-UHFFFAOYSA-N 267.197 -0.590 10 10 CBCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C1(O)CNC1 2132408926 ASTHYMYRIUSBAS-LURJTMIESA-N 268.269 -0.744 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)CC12CNC2 2188921926 DNUFAMDCYGZSIP-QMMMGPOBSA-N 280.280 -0.648 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](N)C[C@H](O)C1)NC(=O)CO2 2191619830 ATXIILQVZZVGCA-YUMQZZPRSA-N 278.312 -0.502 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332919655 GASPSFPGRZZQPI-JXJLXUTGSA-N 266.341 -0.130 10 10 CBCE N[C@@H]1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C(=O)O 31350647 VBKMDGXBOWYWHE-ZETCQYMHSA-N 299.264 -0.952 10 10 CBCE in-vitro O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c1nnn[nH]1 95038816 QXIDCSXQNJNWNK-ZCFIWIBFSA-N 293.239 -0.963 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCCNC(=O)C3)cc21 131402811 LZRMVKTZYKSODJ-CYBMUJFWSA-N 274.324 -0.011 10 10 CBCE O=[N+]([O-])c1ccc(N2C[C@H](O)[C@@H](O)C2)cc1CO 236509192 ZJGDHFONDYXICF-QWRGUYRKSA-N 254.242 -0.371 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CC(=O)N2CCCC[C@@H]21 305988220 NSKHTCCFVOJMJX-KCJUWKMLSA-N 266.305 -0.105 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)C[C@H]3CO)cc21 698112731 FAAICDGBSAHRKS-OUJBWJOFSA-N 277.324 -0.405 10 10 CBCE CN(C)c1ccc(CNC(=O)C(=O)NCCN)cc1 2104186111 NJTVWZMLXCAIEZ-UHFFFAOYSA-N 264.329 -0.556 10 10 CBCE CN(Cc1nn[nH]n1)C(=O)c1cc(O)c(O)c(O)c1 2132348132 FLBOVAZFCMCNRX-UHFFFAOYSA-N 265.229 -0.411 10 10 CBCE O=C(N[C@@H]1CCOC[C@H]1O)c1cc(O)c(O)c(O)c1 2132350163 LHZABFDLZADBBD-GMSGAONNSA-N 269.253 -0.317 10 10 CBCE O=C1N[C@@H]2CN(Cc3cc(F)ccc3O)C[C@H]2NC1=O 2166790495 HLORJAZCNMYAHZ-NXEZZACHSA-N 279.271 -0.670 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(C)c1 2184139391 WHRRLBNYYFWLGM-LBPRGKRZSA-N 276.340 -0.495 10 10 CBCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)C1CS(=O)(=O)C1 2218746368 PZEVXKDHYKHONN-HTQZYQBOSA-N 294.358 -0.066 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2260838501 IOSOUSLOZAOVEM-WXHSDQCUSA-N 252.314 -0.704 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2332922758 GWCHZUUHSMXPDN-UPJWGTAASA-N 286.759 -0.038 10 10 CBCE Nc1ccc(OCCNc2n[nH]c(=O)[nH]c2=O)cc1 38079701 SIVHSWWGGUPTGH-UHFFFAOYSA-N 263.257 -0.469 10 10 CBCE COC[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 71265040 OXWLPBPIMNPWMH-LLVKDONJSA-N 274.342 -0.305 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOC[C@H]1CO 168612572 JNRBKRHDSDFFMO-MRVPVSSYSA-N 254.242 -0.674 10 10 CBCE CN(C(=O)CN1C[C@H](O)[C@H](O)C1)c1ccc(N)cc1 234258396 CRXWKEGGARXGIB-TXEJJXNPSA-N 265.313 -0.731 10 10 CBCE COCCNC(=O)[C@@H](C)NC(=O)c1ccc(O)c(O)c1 234635433 YTSSSFXPYWTYKU-MRVPVSSYSA-N 282.296 -0.021 10 10 CBCE COC(=O)COc1ccc(N(C)CC(=O)NC(N)=O)cc1 273144112 WECJFMAZRZYPQP-UHFFFAOYSA-N 295.295 -0.131 10 10 CBCE C[C@@H](CNC(=O)Cc1ccc(N)cc1)S(N)(=O)=O 398226175 GRSLETPIDDYLDT-QMMMGPOBSA-N 271.342 -0.396 10 10 CBCE Nc1ccc(CS(=O)(=O)Nc2nn[nH]n2)cc1 709955494 LOULMEDIBDQSLF-UHFFFAOYSA-N 254.275 -0.276 10 10 CBCE Nc1ccc(CS(=O)(=O)N(CCO)C2COC2)cc1 1915505378 ZYUKCPLIRCGMAS-UHFFFAOYSA-N 286.353 -0.208 10 10 CBCE COCCNCCNC(=O)Cc1ccc(O)c(O)c1 1971980742 XQRKUZMAFPXONW-UHFFFAOYSA-N 268.313 -0.008 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)C[C@@H](O)C1 2043180997 BUJKENSYILNBLL-OCAPTIKFSA-N 254.242 -0.940 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1O 2046515682 YSXXTPXFXSFRRP-YOBASWQCSA-N 253.298 -0.102 10 10 CBCE CN1C[C@H](O)[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 2090341169 WZCAHVIERWRAFY-RYUDHWBXSA-N 285.369 -0.637 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2C[C@H](O)C[C@H]2O)cc1 2108795030 UPYJWBWWVYITGA-QJPTWQEYSA-N 286.353 -0.428 10 10 CBCE O=C(NCCOCCCO)c1cc(O)c(O)c(O)c1 2132351465 XNUJDAYZOKFLSS-UHFFFAOYSA-N 271.269 -0.068 10 10 CBCE NC(=O)NC1CC(NC(=O)COc2ccc(N)cc2)C1 2152870655 MKCUKWNMHZABPN-UHFFFAOYSA-N 278.312 -0.037 10 10 CBCE NCC1CN(CC(=O)NCCc2ccc(O)c(O)c2)C1 2169321202 VPLFNIXBYASWTC-UHFFFAOYSA-N 279.340 -0.353 10 10 CBCE COC(=O)CS(=O)(=O)NCc1ccccc1O 158581956 HNXLQBGOMAQCIL-UHFFFAOYSA-N 259.283 -0.015 10 10 CBCE Cn1c(O)nnc1CNS(=O)(=O)Cc1ccc(N)cc1 692213197 GCMUZMSESUKRRT-UHFFFAOYSA-N 297.340 -0.278 10 10 CBCE NC(=O)[C@H]1CNCCN1Cc1cc(F)cc(F)c1O 708494687 NWMDKEGIXRAUOK-SNVBAGLBSA-N 271.267 -0.071 10 10 CBCE N[C@H]1CCOC[C@@H]1NC(=O)c1cc(O)nc(O)c1 721622312 IGUOZIHNOCWXMH-YUMQZZPRSA-N 253.258 -0.661 10 10 CBCE CN1C[C@@H](C(=O)NCc2cc(O)ccc2O)NC1=O 1633598877 FQFLWLSNEPTDQF-VIFPVBQESA-N 265.269 -0.262 10 10 CBCE CS(=O)(=O)NCCC(=O)NCc1cccc(O)c1O 1644708659 NCTFOGRLMPFUAY-UHFFFAOYSA-N 288.325 -0.347 10 10 CBCE CN(CCCN=[N+]=[N-])S(=O)(=O)N1CC[C@H](O)C1 1912146370 RHBFAOFKWBWIHX-QMMMGPOBSA-N 263.323 -0.070 10 10 CBCE CS(=O)(=O)CS(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912190833 KESNNJSKRRTZFB-SSDOTTSWSA-N 282.347 -0.050 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CNCC[C@@H]2CO)cc1 1971918221 DXZKKFBCPTVYQZ-DGCLKSJQSA-N 263.341 -0.102 10 10 CBCE C[C@@H](NCCNS(N)(=O)=O)c1cc(O)ccc1O 2039813767 NWOHKDUPRFBWKQ-SSDOTTSWSA-N 275.330 -0.459 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCNC[C@@H]1O 2071716448 PPPNJYMSDHJWNI-ZJUUUORDSA-N 250.302 -0.498 10 10 CBCE COc1cc(N2C[C@@H](CO)[C@@H](O)C2)ccc1CO 2084015458 FSYZROOORNNIEN-JQWIXIFHSA-N 253.298 -0.023 10 10 CBCE O=C(N[C@@H]1CNCC[C@H]1CO)c1cc(O)nc(O)c1 2116271480 XKMLSSHDAFLOEI-IONNQARKSA-N 267.285 -0.807 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1 2132169280 WZSLZXDVKLAUEZ-NEPJUHHUSA-N 266.297 -0.398 10 10 CBCE CN(C)c1ccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)cc1 2177944831 OLTHETWLMSQHRT-NMFUWQPSSA-N 280.368 -0.055 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@H]2COC[C@@H]21 2188873824 AKCWHQCEISKZAN-LAEOZQHASA-N 281.264 -0.365 10 10 CBCE COc1ccc(N2CC(CO)(CO)C2)c(CO)c1 2220428064 KXFBVJKCNIMVRP-UHFFFAOYSA-N 253.298 -0.022 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]1[C@@H](O)CO 2258325468 ICHUGJJJVUKGDW-SFYZADRCSA-N 254.242 -0.940 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1ccccc1O 2311658726 HCEDROGFGNFUHL-GMTAPVOTSA-N 253.254 -0.617 10 10 CBCE O=C(O)CCC(=O)NCCN1C(=O)CSC1=S 49756915 XHSULPMYNQCEQI-UHFFFAOYSA-N 276.339 -0.172 10 10 CBCE Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2CN=[N+]=[N-])c(=O)[nH]c1=O 72190341 HLTAGEGYTDQVJD-BDNRQGISSA-N 297.271 -0.978 10 10 CBCE N[C@H](c1nnc([C@@H](O)CO)o1)c1cccc(O)c1O 83494128 ADDKORRWDYMEHD-YUMQZZPRSA-N 267.241 -0.445 10 10 CBCE O=C1CN(C(=O)[C@H]2CNc3ccccc3N2)CCN1 229876587 YLNRDHCHQVNKOW-LLVKDONJSA-N 260.297 -0.149 10 10 CBCE NC(=O)COCCNC(=O)[C@H]1CNc2ccccc2N1 230070152 DSDUBTSOPLFUFG-LLVKDONJSA-N 278.312 -0.489 10 10 CBCE C[C@@H](N)c1ccc(N2CC[C@](O)(C(N)=O)C2)cc1O 388899717 KUOJCTZICGFFNQ-AMIZOPFISA-N 265.313 -0.162 10 10 CBCE NCCN(CCN)c1cc2c(cc1N)OCC(=O)N2 1876215102 ITPAPXFYDWUPDP-UHFFFAOYSA-N 265.317 -0.677 10 10 CBCE CCO[C@@H]1CNCC[C@@]1(NCCN=[N+]=[N-])C(N)=O 1912194293 TUZWLCCHIZFHGR-SCZZXKLOSA-N 256.310 -0.491 10 10 CBCE CS(=O)(=O)NCC(=O)NCCc1ccc(O)c(O)c1 1963494061 HOWVOQHGQUSKNH-UHFFFAOYSA-N 288.325 -0.694 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](CO)C1 1963565151 AYHUVGUILKVILU-JTQLQIEISA-N 267.281 -0.140 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)CO2)cc1 2052299261 IPEOAHMEQYCPIP-GHMZBOCLSA-N 254.286 -0.383 10 10 CBCE C[C@@H](ONC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2068568543 XXAAJUDFZVYZNJ-SCSAIBSYSA-N 257.198 -0.062 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H](O)CN1 2091749695 ZUQQGRNIWVIOKX-UWVGGRQHSA-N 266.297 -0.521 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2OCCN[C@@H]2C1 2097692119 FVDXGPBZUVBGBO-SKDRFNHKSA-N 264.281 -0.089 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)CC12CNC2 2130066301 PUGQZWPUXKHQKR-MRVPVSSYSA-N 264.281 -0.353 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1O 2136340850 YFHIYZBRTYTAAR-VFHFYPCJSA-N 268.313 -0.685 10 10 CBCE CCn1nnnc1CNC(=O)COc1ccc(N)cc1 2169384431 SVYYOTJNKHPABT-UHFFFAOYSA-N 276.300 -0.030 10 10 CBCE NC[C@]1(CO)COCCN1C(=O)Nc1ccc(N)cc1 2191516768 MFRGMAPNZLXUGI-ZDUSSCGKSA-N 280.328 -0.177 10 10 CBCE NC(=O)C1[C@@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@@H]12 2201308686 NCEAKSQHBVYKJT-GHMZBOCLSA-N 274.324 -0.130 10 10 CBCE C[C@]1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC[C@@H]1O 2201497613 DFJFWDDBCCYQGK-SCRDCRAPSA-N 277.324 -0.040 10 10 CBCE C[S@@](=O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 158251154 OSVSUAKHSHJRNJ-UGZDLDLSSA-N 286.353 -0.538 10 10 CBCE COc1ccc([C@@H](C)NC[C@H](O)C(N)=O)c(O)c1 228629449 LHKLAWPZSBSZLV-HQJQHLMTSA-N 254.286 -0.102 10 10 CBCE CN(c1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 702048574 JEZLABSEEVDRPV-QWRGUYRKSA-N 256.327 -0.137 10 10 CBCE O=C(NC[C@@H]1CCO[C@@H]1C(=O)O)c1cc(O)nc(O)c1 715130416 WOUHTATUZAODME-WKEGUHRASA-N 282.252 -0.288 10 10 CBCE C[C@@H](O)C1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 719744913 ZVARHGLARNUGTL-KCJUWKMLSA-N 280.324 -0.193 10 10 CBCE CN1CCc2cc(CN[C@@H]3CS(=O)(=O)C[C@H]3O)ccc21 2177840395 VYWBAIHDABLYJM-TZMCWYRMSA-N 296.392 -0.074 10 10 CBCE CC1(C)C[C@H](O)[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2188672060 GGGZXQHPCQDOEM-DTWKUNHWSA-N 282.296 -0.161 10 10 CBCE C[C@H](O)CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2193547189 HZQOKKOZKULBRU-CBAPKCEASA-N 283.280 -0.019 10 10 CBCE O=C1Nc2cc(N3CCC3(CO)CO)c(F)cc2[C@H]1O 2194354141 TZKIEPRPAQJQMX-LLVKDONJSA-N 282.271 -0.255 10 10 CBCE Oc1cccc(CN[C@H]2C[C@@H](O)[C@H](O)[C@@H]2O)c1O 2309042561 KWONPLFKSOADST-JJMKBETCSA-N 255.270 -0.958 10 10 CBCE CN(C(=O)CN1C[C@@H](O)[C@H](O)C1)c1ccc(N)cc1 234258242 CRXWKEGGARXGIB-VXGBXAGGSA-N 265.313 -0.731 10 10 CBCE C[C@H]1C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@H]2N 252412935 BJKDOLKAMNTRPJ-CPCISQLKSA-N 260.297 -0.037 10 10 CBCE NCc1ccc(N2CC[C@](O)(C(N)=O)C2)c(F)c1 386045895 AXKHOOHWBQYVGJ-GFCCVEGCSA-N 253.277 -0.289 10 10 CBCE CN(C(=O)[C@@H]1CNc2ccccc2N1)C(CO)CO 388322034 JDVIKVBTVBYNBX-LBPRGKRZSA-N 265.313 -0.296 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)CC(N)=O 388800586 OXGRKDKRPOLIHK-ZETCQYMHSA-N 285.325 -0.504 10 10 CBCE NC[C@@]1(CO)COCCN1C(=O)c1ccc(O)c(O)c1 694633858 CGVUUVLPQFDQBS-CYBMUJFWSA-N 282.296 -0.740 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3CO)ccc21 698112810 FPUCTZZSEZUHSA-KWBADKCTSA-N 277.324 -0.169 10 10 CBCE O=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccc(O)c(O)c1 1631434488 UABWTXUDEUGVCV-QMMMGPOBSA-N 293.279 -0.298 10 10 CBCE NCC1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 1876172210 XADRTMCXDUMJAJ-UHFFFAOYSA-N 285.369 -0.132 10 10 CBCE Nc1ccc(NC(=O)CN2CCC2(CO)CO)cc1 1879987290 RRHHAVHKCNWOTH-UHFFFAOYSA-N 265.313 -0.364 10 10 CBCE CCS(=O)(=O)N(C)Nc1nc(C(N)=O)cs1 1901349221 WESDQUPCSRQJSF-UHFFFAOYSA-N 264.332 -0.150 10 10 CBCE OCC(O)(CO)CNCc1cccc(Cl)c1O 1913799409 PJOWZQVZSJGOOI-UHFFFAOYSA-N 261.705 -0.149 10 10 CBCE O=C(O)[C@@H]1C(=O)NC[C@H]1c1cc(O)c(O)c(O)c1 1951593041 RYVFLZWZGWZJJE-XNCJUZBTSA-N 253.210 -0.282 10 10 CBCE O=C(N[C@]12CNC[C@@H]1C2)c1cc(O)c(O)c(O)c1 2068624417 PESZXMQUBFTCGW-JVXZTZIISA-N 250.254 -0.105 10 10 CBCE Oc1cc(F)ccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2084168309 LDAGIQMYUBIIEX-SASUGWTJSA-N 257.261 -0.524 10 10 CBCE OCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(F)c1 2090129368 SEOQIBRWBMMWGF-CHWSQXEVSA-N 271.288 -0.124 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)CCF 2121061542 LDSQTDOOACVNLP-UHFFFAOYSA-N 289.332 -0.145 10 10 CBCE CN(CC(CO)CO)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2150419834 STVQVMYDPFZZHH-CYBMUJFWSA-N 279.340 -0.300 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1Cc1cc(N)ccc1O 2225700715 GZCOYUVPDYMAKP-WXHSDQCUSA-N 268.313 -0.473 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1 2273791231 PVZDNCUOPTXWCU-ICCXJUOJSA-N 271.288 -0.532 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)OCCO3)C[C@H](O)[C@H]1O 2289510356 GNVAXLXBXFFZJL-CHIMOYNISA-N 281.308 -0.392 10 10 CBCE NC1(C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)CC1 88130725 ICMGLEAZOUIFPG-QMMMGPOBSA-N 280.280 -0.299 10 10 CBCE COC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 234679352 PDPUENKNCYXOHE-SSDOTTSWSA-N 255.226 -0.073 10 10 CBCE Cc1ccc([C@H](C)NC(C(N)=O)C(N)=O)c(O)c1 695344385 RRBWBVDAQPBDCV-ZETCQYMHSA-N 251.286 -0.310 10 10 CBCE NC[C@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 1876411620 SGJOUKHGOVLQPM-NEPJUHHUSA-N 285.369 -0.508 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Cl)c1 2136345778 WWJRKRQZXZFUBZ-FRRDWIJNSA-N 286.759 -0.038 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccccc1O 2136388586 QFUCRHXUPFBETH-WOPDTQHZSA-N 267.281 -0.227 10 10 CBCE N[C@@H]1C[C@H]2CN(Cc3ccc(O)c(O)c3)CCN2C1=O 2173417866 GMRNLAPSQFTZNT-WDEREUQCSA-N 277.324 -0.158 10 10 CBCE COCC(O)(CNC(=O)c1cccc(O)c1O)COC 2175894713 LMNCQAOQMRYCHY-UHFFFAOYSA-N 285.296 -0.149 10 10 CBCE Nc1ccc(OCC(=O)N2CCN[C@@H]3COC[C@@H]32)cc1 2191897924 GMJGTZYDYLOSQK-OLZOCXBDSA-N 277.324 -0.153 10 10 CBCE N=c1nnc(OC[C@]23CCCC[C@H]2CNC3)n[nH]1 2222986827 RPYCSCLJTUVJNP-GZMMTYOYSA-N 250.306 -0.162 10 10 CBCE CNCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1 2225721487 KHQBIKLRLAVJIU-KGLIPLIRSA-N 266.341 -0.300 10 10 CBCE Oc1ccc(Cl)cc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309042729 OHUSUMZCQUPVSH-GMNPVEAJSA-N 273.716 -0.010 10 10 CBCE CS(=O)(=O)[C@H]1CC[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 2314915460 VZRFDHHBXXSCPP-CBAPKCEASA-N 275.334 -0.293 10 10 CBCE O=[N+]([O-])c1cc(N2CC([C@H](O)CO)C2)ccc1CO 2336880379 UVLUXWCOQOEJBF-GFCCVEGCSA-N 268.269 -0.124 10 10 CBCE COC(=O)[C@@H](CN)N1CCc2cc(O)c(O)cc2C1 2341198013 NACJPHYBIWCXDC-SNVBAGLBSA-N 266.297 -0.044 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2354485762 RAVPMGRMPWEUKH-XBEUXYKBSA-N 277.324 -0.367 10 10 CBCE C[C@@H](O)c1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1O 2356088440 UMXOMXHIACHXHU-BZHVJNSISA-N 281.308 -0.244 10 10 CBCE NC(=O)CN(CCCOc1ccc(N)cc1)CC(N)=O 61804401 ANODMGHGACIQII-UHFFFAOYSA-N 280.328 -0.690 10 10 CBCE CNCc1ccc(N(CC(N)=O)CC(N)=O)cc1 61808296 GZLCQEKWQCTPOP-UHFFFAOYSA-N 250.302 -0.817 10 10 CBCE COc1ccc(O)c(CNC(=O)C[C@@H](N)C(=O)O)c1 83496851 WFJFTMHNJLHHKW-SECBINFHSA-N 268.269 -0.181 10 10 CBCE N[C@]1(CNC(=O)c2cccc(O)c2O)CCOC1 711184016 XPXAUPZSEZHARU-LBPRGKRZSA-N 252.270 -0.055 10 10 CBCE CN[C@@H]1CCOC[C@H]1NC(=O)c1cc(O)nc(O)c1 721624762 RYGGDYRCIWDIKM-RKDXNWHRSA-N 267.285 -0.401 10 10 CBCE Cc1nn(CC(=O)NCc2ccc(O)c(O)c2)c(=O)o1 1294869871 OVUQHEAABZXHTH-UHFFFAOYSA-N 279.252 -0.128 10 10 CBCE Nc1ccc(OCC(=O)NCCC2(O)CNC2)cc1 1876521811 SLOWRWBFRVEKLD-UHFFFAOYSA-N 265.313 -0.512 10 10 CBCE O=C(N[C@@H]1C[C@@H](O)C[C@@H]1O)c1cccc(O)c1O 2046405167 GBDLLKAUPQZJGY-YNEQXMIYSA-N 253.254 -0.288 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2046512814 ZCECBNMAGSESME-LPTSXCQYSA-N 253.298 -0.355 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)cc1 2177954697 JWBNQIWYNZVKEQ-RCCPXBDUSA-N 280.324 -0.970 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CO[C@H]2CNC[C@@H]12 2178140665 SSFJUUXUGYLKFD-CWSCBRNRSA-N 278.308 -0.257 10 10 CBCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@H]1NCCNC1=O 2192570186 OHHKZGWSPHWJPI-CABZTGNLSA-N 277.324 0.000 10 10 CBCE N[C@@H](CCC(=O)O)C(=O)NCc1cccc(O)c1O 83496863 WTDCACDTVNIQBD-QMMMGPOBSA-N 268.269 -0.094 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H](O)[C@@H](O)C3)cc21 234343452 XYBQCGYFWKILBM-SDDRHHMPSA-N 263.297 -0.795 10 10 CBCE CN1CCN(CC(=O)Nc2ccc(N)cc2)[C@@H](CO)C1 699463744 RNVISDBBCWZBGR-CYBMUJFWSA-N 278.356 -0.184 10 10 CBCE NC(=O)C[S@](=O)C[C@@H](O)COc1ccc(N)cc1 722445650 VLRXYJXIDMPNOX-NIVTXAMTSA-N 272.326 -0.758 10 10 CBCE CN(C[C@H](O)CN)c1cc2c(cc1N)NC(=O)CC2 1876302139 FDLXVUFUXYCSMN-SECBINFHSA-N 264.329 -0.091 10 10 CBCE Cn1nnnc1CCNC(=O)c1ccc(O)c(O)c1 2119299328 SRRRYXQHBAAJNH-UHFFFAOYSA-N 263.257 -0.406 10 10 CBCE O=C(N[C@@H]1COCC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132351604 YQOSNAGGCKQHIG-SFYZADRCSA-N 269.253 -0.317 10 10 CBCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 2181210262 BBURSGPJNLTQLW-IJLUTSLNSA-N 277.324 -0.041 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2COC[C@H]21 2186369274 CYRKZARHGGFPSV-GARJFASQSA-N 278.308 -0.175 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCNC[C@@H]2CO)cc1 2191656802 XGLAVXNULJQYNA-MFKMUULPSA-N 279.340 -0.266 10 10 CBCE C[C@H](NC(=O)[C@@H]1NCC[C@H](O)[C@H]1O)c1ccccc1O 2192628225 NVXYQZLVFKURPO-HWNAMQAFSA-N 280.324 -0.347 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CN[C@H](CO)[C@H]2C1 2235554003 FFGHBYFISVDUAA-GARJFASQSA-N 278.308 -0.250 10 10 CBCE COC(=O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40859753 SNNRJRHMUNCNEQ-VIFPVBQESA-N 282.296 -0.353 10 10 CBCE NC(=O)NC(=O)COC(=O)COc1ccc(N)cc1 41093681 AWXRNQQUBVUBND-UHFFFAOYSA-N 267.241 -0.614 10 10 CBCE CCOc1cccc([C@H](N)C(=O)NCCO)c1O 83398382 NFRUBNFZIKADFH-JTQLQIEISA-N 254.286 -0.101 10 10 CBCE O=C(NC[C@H]1CNCCO1)c1cccc(O)c1O 126094401 ZZRDHDKPAUXNAM-MRVPVSSYSA-N 252.270 -0.184 10 10 CBCE O=C(NC[C@H]1CNCCO1)c1cc(O)nc(O)c1 134255197 TVTCEMGVFGLPIH-MRVPVSSYSA-N 253.258 -0.789 10 10 CBCE CN1CCN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1CO 687630272 ODKOXVDREUXQQX-LLVKDONJSA-N 280.324 -0.111 10 10 CBCE CN1CC[C@@](O)(CNC(=O)c2cc(O)nc(O)c2)C1 702576276 GGPGORMCPQBJLT-GFCCVEGCSA-N 267.285 -0.711 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 1912171870 PTKSRBOCEFMXCF-IUCAKERBSA-N 287.345 -0.326 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 2021032341 WXYYZLZEODNXKR-ZCFIWIBFSA-N 259.291 -0.122 10 10 CBCE CS(=O)(=O)N1CC(NCc2ccc(O)cc2O)C1 2028755240 KSQBLGRULDRHBL-UHFFFAOYSA-N 272.326 -0.169 10 10 CBCE C[C@@H](NC(=O)[C@@H](N)CC(N)=O)c1ccccc1O 2072489479 HNXYIVGZHWRZMM-APPZFPTMSA-N 251.286 -0.228 10 10 CBCE NCc1ccc2c(c1)CCN2CC(CO)(CO)CO 2133394593 FIEZSOUEYWHNMY-UHFFFAOYSA-N 266.341 -0.529 10 10 CBCE Nc1ccc(CNC(=O)c2cn(CC(=O)O)nn2)cc1 2162276380 RMLOHEQABLBJQJ-UHFFFAOYSA-N 275.268 -0.125 10 10 CBCE Nc1ccc(CC(=O)N2CC(O)([C@H](F)C(=O)O)C2)cc1 2172294422 BOXVEGRUVOZHSF-LLVKDONJSA-N 282.271 -0.193 10 10 CBCE C[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@H]1O 2197963205 AASORZGUXPJCKV-BZPMIXESSA-N 278.308 -0.006 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CO 2232100312 KOYXPXRIKMZZDH-HBEIAFGSSA-N 267.325 -0.049 10 10 CBCE N=c1nnc(OC[C@H]2COC3(CCC3)CO2)n[nH]1 2317207722 UXPBHUBAUZAVME-ZETCQYMHSA-N 253.262 -0.604 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@@H](O)CCO)cc1 2351747837 MECAOLWYSVUGLF-LLVKDONJSA-N 268.313 -0.103 10 10 CBCE C[C@@H](CN)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 54343335 ZNCZAMWQCKWMSE-IONNQARKSA-N 282.296 -0.196 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)CCC(N)=O 399231599 DZYKGDIGCDWQKG-QMMMGPOBSA-N 299.352 -0.114 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN2C(=O)NC[C@@H]2C1 1566192297 WNBBXBDIJZRVRZ-SNVBAGLBSA-N 291.307 -0.124 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1912171868 PTKSRBOCEFMXCF-DTWKUNHWSA-N 287.345 -0.326 10 10 CBCE NC1CN(C(=O)NCCc2ccc(O)c(O)c2)C1 2043290972 XVWTVHHAVIGKFD-UHFFFAOYSA-N 251.286 -0.007 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2089921091 YSKBDJSXBOPJSB-IUCAKERBSA-N 267.285 -0.760 10 10 CBCE N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 2152800518 DSBTYCGPPUUQKK-JFGNBEQYSA-N 280.324 -0.145 10 10 CBCE O=c1c2c(ccn1CCOCCOCCO)CCNC2 2184285577 WNCJWYHXOGDZNL-UHFFFAOYSA-N 282.340 -0.481 10 10 CBCE N[C@H]1COC[C@H]1CCNC(=O)c1cc(O)c(O)c(O)c1 2188912380 JVDAYNMLQNIQOB-APPZFPTMSA-N 282.296 -0.103 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1CCOc1ccc(N)cc1 2234076787 WYSOEKDDIQLPIR-MGPQQGTHSA-N 282.340 -0.300 10 10 CBCE CNC(=O)CCNC(=O)COc1ccc(N)cc1 44985121 ZIYRLWHXODWXKD-UHFFFAOYSA-N 251.286 -0.100 10 10 CBCE NC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccc(N)cc1 158829355 QBHDAQPEQKJCMC-DGCLKSJQSA-N 295.339 -0.805 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@](O)(CO)C2)cc1 313784822 IAUKZHJQSRVLCW-ZDUSSCGKSA-N 266.297 -0.397 10 10 CBCE COc1ccc(O)c(CNCCCNS(N)(=O)=O)c1 2101325378 ZDZGEASDLNAIMK-UHFFFAOYSA-N 289.357 -0.326 10 10 CBCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H]2COC[C@H]12 2102179420 BLKFFFPEPBQPSL-BBBLOLIVSA-N 264.281 -0.104 10 10 CBCE CO[C@H]1C[C@@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 2109020494 SLFZPGCFLSUMBO-BDAKNGLRSA-N 268.269 -0.285 10 10 CBCE OCC(CO)(CO)CNCc1cc(F)cc(F)c1O 2123227834 OXSWYAOTBGTHAV-UHFFFAOYSA-N 277.267 -0.277 10 10 CBCE C[C@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CC(=O)N1 2141275916 NODIZRNYPGVNCV-GFCCVEGCSA-N 283.353 -0.033 10 10 CBCE NC(=O)CN(CC(=O)N1CCC1)Cc1ccc(N)cc1 2145954914 VEOXLDDKSONZIR-UHFFFAOYSA-N 276.340 -0.212 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O)c1ccc(O)cc1O 2177946356 YGYMDXJBSWRBNE-BXOJNMQXSA-N 283.324 -0.149 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@H](CCO)C1 2188914920 DPJLWBWNYJOTBP-SECBINFHSA-N 282.296 -0.400 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(N)c1 2225721596 LLSGATXGGFOCJK-OLZOCXBDSA-N 268.313 -0.428 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 38055437 GNBBVLFTYMBXTP-JTQLQIEISA-N 284.337 -0.049 10 10 CBCE N[C@H](C(=O)NCCCO)c1cc([N+](=O)[O-])ccc1O 83512714 NLXCJZPSFXDBFW-JTQLQIEISA-N 269.257 -0.201 10 10 CBCE N[C@@H](c1nnc(Cn2cnnn2)o1)c1ccccc1O 83537000 HSKQGDSHZXNUAJ-SNVBAGLBSA-N 273.256 -0.142 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@H](O)C2)cc1 236352188 BGOXBYMTTLZPND-PHIMTYICSA-N 251.286 -0.755 10 10 CBCE COc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c(N)c1 386674812 PBBKLVSNSUQNRL-RKDXNWHRSA-N 261.281 -0.014 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](CO)[C@@H](CO)C3)ccc21 704795831 JKDRBRMUBUEKOZ-VYUIOLGVSA-N 277.324 -0.325 10 10 CBCE C[C@H](NC(=O)[C@H](CO)NC(N)=O)c1ccccc1O 1643744770 BQTUQQZOLJGENA-CBAPKCEASA-N 267.285 -0.401 10 10 CBCE O=C1Nc2cc(N(CCO)C3COC3)ccc2[C@@H]1O 1915662379 UMISPOXPCJFSSO-LBPRGKRZSA-N 264.281 -0.130 10 10 CBCE COC1CN(S(=O)(=O)N2CC[C@H](N=[N+]=[N-])C2)C1 1998747798 DYBPLSQHAMHPID-ZETCQYMHSA-N 261.307 -0.054 10 10 CBCE NS(=O)(=O)NCCCNCc1cc(F)ccc1O 2039807523 ZMRUFMOLKDBIHP-UHFFFAOYSA-N 277.321 -0.196 10 10 CBCE O=C(CN1C[C@@H](O)C[C@@H](O)C1)c1ccc(O)c(O)c1 2105081996 BXWLEQDKNNFQGS-AOOOYVTPSA-N 267.281 -0.292 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H](O)C[C@@H]1O 2108710469 XKBKEANRVIFIFC-KKZNHRDASA-N 267.281 -0.359 10 10 CBCE O=C(N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cccc(O)c1O 2118055864 WJFMUFMTSSQWCP-DIYOJNKTSA-N 283.305 -0.129 10 10 CBCE C[C@H]1CNC(=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 2124755228 BGSLFWSZQVVHQW-JVXZTZIISA-N 260.297 -0.037 10 10 CBCE N[C@H]1CCN(CC(=O)NCCc2ccc(O)c(O)c2)C1 2169305140 RWPNCVFGGYPLIT-NSHDSACASA-N 279.340 -0.211 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@H](O)[C@H](O)C2)cc1 2188630289 BPGTYCLTBPOMJN-KWCYVHTRSA-N 282.340 -0.564 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CCN1Cc1ccc(O)cc1O 2201089915 IASAANMDBOXHHI-ZMLRMANQSA-N 283.280 -0.522 10 10 CBCE COc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(CO)c1 2236003044 PJDNJOJPXKBDEG-UONOGXRCSA-N 283.324 -0.254 10 10 CBCE N[C@H](CN1CCc2cc(O)c(O)cc2C1)C(=O)O 2318654006 IJGLPZRABPYSFO-SECBINFHSA-N 252.270 -0.132 10 10 CBCE Nc1ccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)O)cc1 71249424 MAAIRVSADFSCAC-LLVKDONJSA-N 291.307 -0.387 10 10 CBCE Nc1ccc(CC(=O)N(CC(=O)O)CC(=O)O)cc1 82698711 KIOBGTSCWGHCKG-UHFFFAOYSA-N 266.253 -0.191 10 10 CBCE C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(O)nc(O)c1 393325212 KSZFZULFBVJLPK-POYBYMJQSA-N 265.269 -0.110 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)[C@H](CO)C1 699435426 QZKUIJOMJXDFPZ-GXFFZTMASA-N 277.324 -0.215 10 10 CBCE CS(=O)(=O)N1CCC[C@H]1C(=O)NCCN=[N+]=[N-] 701323002 IGYHLGJMQRCNBC-ZETCQYMHSA-N 261.307 -0.163 10 10 CBCE CS(=O)(=O)NCC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912188268 NEJCUDFDXVIRHH-ZETCQYMHSA-N 261.307 -0.306 10 10 CBCE O=C(NC[C@H]1CCNC1=O)c1ccc(O)c(O)c1 2075993779 HDCOTQZMBYOAHA-MRVPVSSYSA-N 250.254 -0.036 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1COC[C@@H]1O 2097833670 FDTKCEKTGVVQKM-SKDRFNHKSA-N 267.281 -0.236 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC(CO)(C(=O)O)C1 2114366121 PVJAHMCIRHTGCP-UHFFFAOYSA-N 267.237 -0.383 10 10 CBCE NCc1ccc(N2CCN(CCO)C(=O)C2)cc1F 2114627574 YZXXCGJWCYSKJQ-UHFFFAOYSA-N 267.304 -0.075 10 10 CBCE Cc1cc(CO)ccc1N1CC2(C1)OC[C@@H](O)[C@H]2O 2127263835 JULOVALVTABTDX-CHWSQXEVSA-N 265.309 -0.202 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@@H](O)[C@H]1CF 2140657467 GHSKHBXEYFQASH-GGVZMXCHSA-N 271.244 -0.387 10 10 CBCE COC[C@@H](C)NC(=O)Cn1ccc2c(c1=O)CNCC2 2150801089 RAQFDQHBZBRCJX-SNVBAGLBSA-N 279.340 -0.355 10 10 CBCE C[C@](O)(CNC(=O)c1cc(O)c(O)c(O)c1)CC(=O)O 2188868133 MSGJIYKBQWYFED-GFCCVEGCSA-N 285.252 -0.241 10 10 CBCE N[C@@H]1C[C@H](O)[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188921051 ANWBBFULBNNJDO-CIUDSAMLSA-N 282.296 -0.369 10 10 CBCE NCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2218685268 OYWSHFMYRXSYBC-QWHCGFSZSA-N 252.314 -0.560 10 10 CBCE CS(=O)(=O)NCCNCc1cc2c(cc1O)OCO2 42879591 AJKHLKBXRGBOSI-UHFFFAOYSA-N 288.325 -0.240 10 10 CBCE CCNS(=O)(=O)CCNCc1ccc(O)c(O)c1O 226753849 NTBLMNGZNKAGOT-UHFFFAOYSA-N 290.341 -0.168 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCOC[C@H]1C(N)=O 251565405 SEVFJRPMQVEWGI-SKDRFNHKSA-N 292.339 -0.218 10 10 CBCE O=S1(=O)CC(NCc2ccc(O)c(O)c2O)C1 380163127 VHNYECWEQJQKQV-UHFFFAOYSA-N 259.283 -0.310 10 10 CBCE NC(=O)N1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 393315134 HSXHOOPZDCQEAL-QMMMGPOBSA-N 265.269 -0.019 10 10 CBCE C[C@@H](NC(N)=O)C(=O)NCCc1ccc(N)cc1 704356804 IQAWEIJZWSMGLV-MRVPVSSYSA-N 250.302 -0.016 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2CNC3(CC3)CO2)C1 2064052786 XAUIOLDNLBWUEX-FXPVBKGRSA-N 252.314 -0.227 10 10 CBCE NCCC(CCN)NC(=O)c1cccc(O)c1O 2084904109 XJMUCIIJPZPWNR-UHFFFAOYSA-N 253.302 -0.106 10 10 CBCE CC(CO)(CO)CNC(=O)c1cc(O)c(O)c(O)c1 2132347951 ANGCNIABYKEJQO-UHFFFAOYSA-N 271.269 -0.476 10 10 CBCE CN1C[C@H](O)[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132348490 MOAOPSSWYJIMRG-XCBNKYQSSA-N 268.269 -0.792 10 10 CBCE N[C@@H]1C(=O)NC[C@H]1c1nc(-c2ccc(O)c(O)c2)no1 2144406537 PHNCYEZMYVMDTR-MUWHJKNJSA-N 276.252 -0.312 10 10 CBCE O=C(NCC12CC(CO)(CO1)C2)c1cc(O)nc(O)c1 2159505201 LGQJXCSADAWOIC-UHFFFAOYSA-N 280.280 -0.236 10 10 CBCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2201000804 AFCLXLVJPRULII-AEIQMDAISA-N 289.278 -0.079 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CCN1Cc1cc(F)ccc1O 2201087461 AQAFPALIHJGJJJ-SDDRHHMPSA-N 285.271 -0.088 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CN[C@H](CO)[C@@H]2C1 2235554004 FFGHBYFISVDUAA-HBNTYKKESA-N 278.308 -0.250 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CNC[C@H]1F 2320520495 IGUYUPFYIWLBIF-SFYZADRCSA-N 255.249 -0.125 10 10 CBCE Cc1ccc(O)c(CN2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)c1 2332872921 XUPBCTLPPUHKRB-IJLUTSLNSA-N 267.281 -0.309 10 10 CBCE NC[C@H](O)c1cc(O)c(O)c(SC[C@H](N)C(=O)O)c1 26173728 ZELSWMBFRRNKHX-XPUUQOCRSA-N 288.325 -0.406 10 10 CBCE in-vitro CN1CC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 49086683 AIJBPUDBZUQRKO-MNOVXSKESA-N 279.340 -0.212 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)[C@H](O)C1 300143849 XECMTNCAPIVJOX-GGZOMVNGSA-N 265.313 -0.367 10 10 CBCE O=C(NC1CS(=O)(=O)C1)c1cccc(O)c1O 380070152 LOVGCLXFEHDMKH-UHFFFAOYSA-N 257.267 -0.375 10 10 CBCE COCC1(O)CN(c2cc3c(cc2N)OCC(=O)N3)C1 383989393 OHGJIUUJZMLZFP-UHFFFAOYSA-N 279.296 -0.203 10 10 CBCE NC(=O)N1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)CC1 721684800 UNAFECFCZUBQLW-NSHDSACASA-N 276.296 -0.127 10 10 CBCE C[C@@](CCS(C)(=O)=O)(NCCCN=[N+]=[N-])C(N)=O 2042644557 LBASYTQGYBCWHD-VIFPVBQESA-N 277.350 -0.045 10 10 CBCE C[C@H](N)CNS(=O)(=O)CCOc1ccc(N)cc1 2071662084 MKGGEHPCUJCLLT-VIFPVBQESA-N 273.358 -0.086 10 10 CBCE Cn1ncnc1N(CC(N)=O)Cc1ccc(N)cc1 2093405846 RYJNHZJXBLSVIY-UHFFFAOYSA-N 260.301 -0.111 10 10 CBCE O=C1C[C@H](NCc2cc3c(cc2O)OCO3)C(=O)N1 2096085143 ZWUJQRZPLMRFHV-ZETCQYMHSA-N 264.237 -0.374 10 10 CBCE NS(=O)(=O)NCCCNC(=O)c1cccc(O)c1O 2101316524 HAIRZGIILKZBPU-UHFFFAOYSA-N 289.313 -0.989 10 10 CBCE NCc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(F)c1F 2146327950 BLYUVUZNGNTCNP-WDEREUQCSA-N 288.294 -0.018 10 10 CBCE N[C@@]12CC[C@@](CNC(=O)c3cc(O)nc(O)c3)(C1)OC2 2161195693 JVMBWZQQRXPXKF-STQMWFEESA-N 279.296 -0.127 10 10 CBCE O=C(C[C@H]1CNC[C@H]1O)NCCc1ccc(O)c(O)c1 2174342149 UFSZWMIUURIJSV-GXFFZTMASA-N 280.324 -0.273 10 10 CBCE NC(=O)[C@H]1COCCN1c1ccc(CO)c([N+](=O)[O-])c1 2188574592 UFQTZYHHJASGMZ-LLVKDONJSA-N 281.268 -0.222 10 10 CBCE C[C@H](N)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2201035425 JJDJHRMPZOQAMB-SHGJWOQOSA-N 288.294 -0.113 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CCN1Cc1ccc(O)cc1O 2201089906 IASAANMDBOXHHI-DLOVCJGASA-N 283.280 -0.522 10 10 CBCE O=S1(=O)CC(O)(CNCc2ccc(O)cc2O)C1 2256071318 JLDQFDYNEFYQAD-UHFFFAOYSA-N 273.310 -0.653 10 10 CBCE Nc1ccc(CCC(=O)NC2CNCCNC2)cc1 2271978616 WZLJKRZCMZRYNG-UHFFFAOYSA-N 262.357 -0.121 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)COCC3)C[C@H](O)[C@H]1O 2289344324 YHNACWLGMPCAKW-QEJZJMRPSA-N 279.336 -0.090 10 10 CBCE CC(C)N(CC(N)=O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40460353 KXBWMHKIFDVQJQ-JTQLQIEISA-N 295.339 -0.310 10 10 CBCE CS(=O)(=O)CC(=O)N(CC(N)=O)Cc1ccc(N)cc1 70127343 RKXSRFNUZQYAGY-UHFFFAOYSA-N 299.352 -0.873 10 10 CBCE NC(=O)C1CN(C[C@H](O)COc2ccc(N)cc2)C1 381969493 OHJKPCZMURNJFL-NSHDSACASA-N 265.313 -0.574 10 10 CBCE O=C(c1cccc(O)c1O)N(CCO)CCCO 385768089 JVSPKUZMYFVACC-UHFFFAOYSA-N 255.270 -0.085 10 10 CBCE Nc1ccc(OCC(=O)OCCn2cnnn2)cc1 711850073 VOQQLDPCXJSUTB-UHFFFAOYSA-N 263.257 -0.123 10 10 CBCE Cc1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)c1 2136097624 XUPBCTLPPUHKRB-QJPTWQEYSA-N 267.281 -0.309 10 10 CBCE CO[C@@H]1[C@H](OC)CN[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2140533382 CIGDJDXSMJZYND-SAMPITMASA-N 270.329 -0.746 10 10 CBCE CN1CCc2cc(CN[C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)ccc21 2165103471 BJRBAAQPSNBFIK-UQOMUDLDSA-N 278.352 -0.377 10 10 CBCE O=C(NCCCc1nn[nH]n1)c1cc(O)c(O)c(O)c1 2188867917 JAHWZTHAXHZOGU-UHFFFAOYSA-N 279.256 -0.321 10 10 CBCE COc1cc(N)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1OC 2201039633 ZTALSPVIVSBEIG-OUJBWJOFSA-N 284.312 -0.811 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]21 2201313552 NCEAKSQHBVYKJT-PJXYFTJBSA-N 274.324 -0.130 10 10 CBCE OCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2218686468 WKHPTZWBKKDULE-QWHCGFSZSA-N 253.298 -0.527 10 10 CBCE CN1C(=O)C(=C/C=C2\OCCN2C)C(=O)N(C)C1=O 100287645 JZEGWOILOCWEHS-UITAMQMPSA-N 265.269 -0.233 10 10 CBCE CN(CCCO)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 388698449 VJYKLCXWWGGMCW-JTQLQIEISA-N 268.313 -0.192 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCN(C(N)=O)C1 393361782 WFONLCOEOBAMQS-SSDOTTSWSA-N 263.301 -0.067 10 10 CBCE CCN(Cc1nn[nH]n1)C(=O)c1cc(O)nc(O)c1 707556112 FJOBJPYCGNBEEP-UHFFFAOYSA-N 264.245 -0.332 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COCC[C@@H]2O)cc1 710860347 XNQNTBPCGGJOJI-NEPJUHHUSA-N 266.297 -0.086 10 10 CBCE CNCc1nc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 2113107280 VUSFZDHDZXQQIS-UHFFFAOYSA-N 264.245 -0.417 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1NCC[C@@H](O)[C@@H]1O 2127598641 JEHBCPYRVOSKOQ-UTUOFQBUSA-N 266.297 -0.908 10 10 CBCE O=C(NCCn1cnnn1)c1cc(O)c(O)c(O)c1 2132412307 BZNHMHBZARNBCQ-UHFFFAOYSA-N 265.229 -0.780 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O)c1cc(O)nc(O)c1 2166413336 HJMIFTMLQIBIOZ-OMHGBLJKSA-N 280.280 -0.647 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)CC12CNC2 2186616242 KTAPCCQLNQUHFD-SNVBAGLBSA-N 278.308 -0.425 10 10 CBCE CC(C)(NC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)C(=O)O 2188868475 RRZNQFYKWGVKNV-VIFPVBQESA-N 285.252 -0.243 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CF)ccc2[C@@H]1O 2205611971 MVFVNZJTUVDKLI-FIQHERPVSA-N 282.271 -0.448 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1COC(=O)C1 2296291747 RVHWMVCZKARHAR-IUCAKERBSA-N 280.280 -0.601 10 10 CBCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 35792045 ZWBYJEYFUVBCMB-ZETCQYMHSA-N 257.315 -0.438 10 10 CBCE O=C(NCCN1CCNCC1)c1cccc(O)c1O 126094657 GREWHGXPPYXBSL-UHFFFAOYSA-N 265.313 -0.267 10 10 CBCE CNS(=O)(=O)c1cc(C(=O)NCCN=[N+]=[N-])n(C)c1 701270430 JUIATKKCWMIUNU-UHFFFAOYSA-N 286.317 -0.027 10 10 CBCE O=C(N[C@@H]1COCC[C@H]1O)c1ccc(O)c(O)c1 710866038 LJTIQTWETQFTOZ-RKDXNWHRSA-N 253.254 -0.023 10 10 CBCE CN(C)C[C@H](CN)NC(=O)c1ccc(O)c(O)c1 716775833 XUJNBXGRXTWUKN-VIFPVBQESA-N 253.302 -0.284 10 10 CBCE CC(=O)C(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815474531 UXZFCUNZIUFVRA-AOOOYVTPSA-N 293.275 -0.361 10 10 CBCE CNC[C@@H](O)c1cc(O)c(O)c(S(=O)(=O)O)c1 1775964645 VTQSYJXUXXJECU-SSDOTTSWSA-N 263.271 -0.403 10 10 CBCE CCn1nncc1S(=O)(=O)N1CC(N=[N+]=[N-])C1 1912155196 KGBCLBBOGGKYHX-UHFFFAOYSA-N 257.279 -0.019 10 10 CBCE NCCN(C(=O)c1cccc(O)c1O)C1COC1 1915549542 VWIQWQHUVUFOEA-UHFFFAOYSA-N 252.270 -0.103 10 10 CBCE NS(=O)(=O)NCCNCc1ccc(Cl)cc1O 1995958494 VYURHCHNIMQYGY-UHFFFAOYSA-N 279.749 -0.072 10 10 CBCE O=C(NC[C@H]1COC[C@@H]1O)c1cc(O)nc(O)c1 2036581022 XMDLOZQUOGKHDL-YUMQZZPRSA-N 254.242 -0.770 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@H]1O)c1cc(O)nc(O)c1 2046405548 JXMYQKGJLMUGGZ-XLPZGREQSA-N 254.242 -0.893 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@@H](O)C1 2068405764 IAQKSGSQPYRZSK-WPRPVWTQSA-N 253.254 -0.335 10 10 CBCE O=C(NC[C@H]1CCS(=O)(=O)N1)c1ccc(O)c(O)c1 2089998546 LEDRHOGIZNAKME-MRVPVSSYSA-N 286.309 -0.481 10 10 CBCE C[C@@]1(O)CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 2136876413 FOCKVBFTSVCUCE-PRHODGIISA-N 268.269 -0.549 10 10 CBCE C[C@@](O)(CNC(=O)c1cc(O)c(O)c(O)c1)CC(=O)O 2188868134 MSGJIYKBQWYFED-LBPRGKRZSA-N 285.252 -0.241 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4N)C[C@H]21 2201284000 JKQIUDGSUMYMOJ-QCMRWSPLSA-N 272.308 -0.194 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1OC 2226801678 GVVCCOHUPJNCAL-KWBADKCTSA-N 269.297 -0.394 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCNC(=O)C3)cc21 155739233 BRGQZZNUYHHGSF-LBPRGKRZSA-N 260.297 -0.401 10 10 CBCE NC(=O)[C@H]1CCN(c2cc3c(cc2N)OCC(=O)N3)C1 236187598 CKKGMDSZAYWFPY-ZETCQYMHSA-N 276.296 -0.089 10 10 CBCE O=C1NC(=O)[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]12 388158214 SHKZDBGHGJIROL-YUMQZZPRSA-N 276.248 -0.558 10 10 CBCE O=C(c1cccc(O)c1O)N1CCC(CO)(CO)C1 694639081 SFFQDJBMRVRLOG-UHFFFAOYSA-N 267.281 -0.085 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](CO)[C@@H](CO)C1 705321203 XGJVTZGBMDEOAC-RKDXNWHRSA-N 267.281 -0.229 10 10 CBCE C[C@H](O)C1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 719760517 ZVARHGLARNUGTL-KWQFWETISA-N 280.324 -0.193 10 10 CBCE CN(CCN=[N+]=[N-])S(=O)(=O)N1CCC(O)CC1 1912145908 MVEGELDJRHQSPD-UHFFFAOYSA-N 263.323 -0.070 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCS1(=O)=O 1964863512 FDXFJYQOWNXGBH-NSHDSACASA-N 285.321 -0.056 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNOC2)cc1 2016965766 DMKJYTOIJNMXEH-SNVBAGLBSA-N 257.315 -0.408 10 10 CBCE C[C@H]1CNC(=O)C[C@](NCCN=[N+]=[N-])(C(N)=O)C1 2042117673 IAPRJOQCBATERV-XCBNKYQSSA-N 254.294 -0.344 10 10 CBCE OCC(CO)CNCc1cc2c(cc1O)OCO2 2059269184 HJOROMKCMLPVDQ-UHFFFAOYSA-N 255.270 -0.189 10 10 CBCE O=C(O)C1CN(S(=O)(=O)NCc2ccccc2O)C1 2108034094 HLHYRFMDBFSYNC-UHFFFAOYSA-N 286.309 -0.257 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 2132128779 DUPUSTKNISEOEW-RYUDHWBXSA-N 286.353 -0.474 10 10 CBCE O=C(NC[C@@H]1CNCCO1)c1cc(O)c(O)c(O)c1 2132402565 ZHVPZGVSKSANMO-QMMMGPOBSA-N 268.269 -0.478 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN[C@H]2COC[C@H]21 2132438699 XYKUTHVXFSKYJS-VHSXEESVSA-N 264.281 -0.089 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@](O)(CO)C1 2188868010 KQQKZOLSXKMRNO-CYBMUJFWSA-N 283.280 -0.237 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1OC 2204557114 LWVIWMXZURKQQP-OBJOEFQTSA-N 282.340 -0.683 10 10 CBCE N[C@H]1CC(C(=O)N2CCCc3nnc(O)cc32)=C[C@@H]1O 2206095362 HDJKQDNFJDPCIZ-KWQFWETISA-N 276.296 -0.520 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC)cc1CO 2235970996 WOTNLAXELLXUAH-MCIONIFRSA-N 283.324 -0.256 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2273692366 FQUQSHTZCADGKW-RCCPXBDUSA-N 266.341 -0.143 10 10 CBCE CO[C@@H]1C[C@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 19477567 AIYNLASENYDCBO-HTQZYQBOSA-N 282.252 -0.193 10 10 CBCE CNC(=O)[C@H](C)NC(=O)COc1ccc(N)cc1 42559984 PRIJQUTWHZORBC-QMMMGPOBSA-N 251.286 -0.102 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)C(CO)CO 310905584 DBTIVCGYQZGODY-UHFFFAOYSA-N 253.302 -0.508 10 10 CBCE Cn1ccc([C@@]2(CN)CCS(=O)(=O)C2)cc1=O 315321257 LKYVRXXPTYRMBO-LLVKDONJSA-N 256.327 -0.600 10 10 CBCE C[C@@H](CNC(=O)[C@@H]1CNc2ccccc2N1)S(N)(=O)=O 398440672 XTCSNDDTEFGUCL-KWQFWETISA-N 298.368 -0.314 10 10 CBCE Cn1c(O)nnc1CNC(=O)c1cccc(O)c1O 692276315 FKRJKOHAAWCVAO-UHFFFAOYSA-N 264.241 -0.138 10 10 CBCE Cn1nnnc1CN(CC(N)=O)Cc1ccc(N)cc1 697962099 GLSJFTNLHXRTLY-UHFFFAOYSA-N 275.316 -0.720 10 10 CBCE O=C(NC[C@@H]1C[C@@H](C(=O)O)CO1)c1cc(O)nc(O)c1 713953361 HOFKBCSUEYPOGJ-SFYZADRCSA-N 282.252 -0.288 10 10 CBCE COc1ccc(O)c([C@@H](C)NC(=O)Cn2nnc(N)n2)c1 1445972518 YQTOJRVQDLBJCG-SSDOTTSWSA-N 292.299 -0.153 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)C2CS(=O)(=O)C2)C1 1912168846 GIOBIMOFOIARKD-LURJTMIESA-N 280.331 -0.502 10 10 CBCE NCC1(CNC(=O)c2cc(O)nc(O)c2)COC1 2056738500 AOSPIXMZPMBWFY-UHFFFAOYSA-N 253.258 -0.802 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1N 2058640687 WHCJLCRMWFPQGV-SFYZADRCSA-N 253.258 -0.709 10 10 CBCE CN1C[C@@H](O)[C@H](NC(=O)COc2ccc(N)cc2)C1 2090333178 GQNFQWGYQYYHFJ-VXGBXAGGSA-N 265.313 -0.561 10 10 CBCE Cc1cc(CO)ccc1N1C[C@@H]2NC(=O)C(=O)N[C@H]2C1 2166790504 HOUKBSQKPSEBQA-QWRGUYRKSA-N 275.308 -0.709 10 10 CBCE C[C@@H]1CNC(=O)CN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 2181160418 CFCWCKZZUZLRMD-OQPBUACISA-N 274.324 -0.013 10 10 CBCE O=C(NCCO[C@@H]1CCNC1)c1cc(O)c(O)c(O)c1 2188911943 GUAJZASSJYAHRR-SECBINFHSA-N 282.296 -0.088 10 10 CBCE Nc1ccc(CN2CC[C@](O)(CO)[C@@H](O)C2)cc1 2218676088 BQSQUGUTLMXFPM-STQMWFEESA-N 252.314 -0.441 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(CN)c1 2220410091 VCGLPDXMDKAZAM-ZWNOBZJWSA-N 252.314 -0.057 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2CCCN2C2CNC2)C1 2271810739 FNODOZRFMKXZQZ-CKYFFXLPSA-N 265.357 -0.312 10 10 CBCE CC[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1=O 2273260175 GGTOZRIOTONDBQ-GFCCVEGCSA-N 265.269 -0.109 10 10 CBCE C[C@H](CO)NS(=O)(=O)CCOc1ccc(N)cc1 70490604 KKNHCDHSOXWBBM-SECBINFHSA-N 274.342 -0.052 10 10 CBCE O=C1CC[C@H](NC(=O)c2cc(O)nc(O)c2)CN1 104333054 VHOCFBQQPFHZQN-ZETCQYMHSA-N 251.242 -0.499 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COC[C@H]2O)cc1 323847680 OVZGLLUWIUAUJG-GHMZBOCLSA-N 252.270 -0.477 10 10 CBCE CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(N)=O 379306460 VBIUMIKRXWFUQJ-IUCAKERBSA-N 281.312 -0.652 10 10 CBCE O=C(N[C@H](CO)CN1CCOCC1)c1cc(O)cs1 820011180 QILNPLIPJLNDKH-VIFPVBQESA-N 286.353 -0.123 10 10 CBCE C[C@H](Oc1ccc(N)cc1)C(=O)N[C@@H](CO)C(=O)O 1860082965 ZKDLLUHBSSMBBV-XVKPBYJWSA-N 268.269 -0.402 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)C(=O)O 2027475453 SOISYEUNVCCARZ-VIFPVBQESA-N 255.226 -0.798 10 10 CBCE NC(=O)CC[C@H](N)C(=O)NCc1ccccc1O 2085277876 RMGVHOPMPZXDSY-VIFPVBQESA-N 251.286 -0.399 10 10 CBCE O=S(=O)(NCCc1ccc(O)c(O)c1)c1nc[nH]n1 2122589312 SHRKUFPQNFIFPS-UHFFFAOYSA-N 284.297 -0.263 10 10 CBCE CS(=O)(=O)CCCNC(=O)c1cc(O)c(O)c(O)c1 2132348860 UNCWKPPQWXJNJN-UHFFFAOYSA-N 289.309 -0.032 10 10 CBCE Cc1ccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)c(O)c1 2139756194 PXWMSRCOSJWSSK-MHDGFBEUSA-N 267.325 -0.107 10 10 CBCE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1c(N)cccc1C(N)=O 2192673296 DFCYHVLQDUOLAU-UWVGGRQHSA-N 298.368 -0.835 10 10 CBCE COc1cc(N)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1OC 2201039632 ZTALSPVIVSBEIG-NRUUGDAUSA-N 284.312 -0.811 10 10 CBCE NCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1 2218685267 OYWSHFMYRXSYBC-OLZOCXBDSA-N 252.314 -0.560 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC(O)(CCO)C1 2270671330 RDCAQEYGNMNDRP-UHFFFAOYSA-N 269.253 -0.627 10 10 CBCE Nc1cc2c(cc1N1CC(=O)NC(=O)C1)NC(=O)CO2 97267930 GSWBUVFCYIYOFU-UHFFFAOYSA-N 276.252 -0.938 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](O)[C@H](O)C1 235514539 XECMTNCAPIVJOX-KPXOXKRLSA-N 265.313 -0.367 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](CO)[C@@H](O)C1 317498055 SOIPWVGTWGZXHT-XDTLVQLUSA-N 277.324 -0.296 10 10 CBCE CN1CCNC[C@H]1CNC(=O)c1ccc(O)c(O)c1 394101439 FUAHCISHNZYBKB-JTQLQIEISA-N 265.313 -0.269 10 10 CBCE O=C(N[C@@]1(C(=O)O)CCNC1)c1cccc(O)c1O 692862214 GDSUSPUHSASVBX-LBPRGKRZSA-N 266.253 -0.356 10 10 CBCE Cc1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)c(O)c1O 1320792727 GUSBBUKGDWMGSX-MRVPVSSYSA-N 278.264 -0.059 10 10 CBCE C[C@@H](NC(=O)COc1ccc(N)cc1)C1(O)CNC1 1876450620 DUZHRCULGIWAOK-SECBINFHSA-N 265.313 -0.513 10 10 CBCE [N-]=[N+]=NCCCNS(=O)(=O)N1CCC(O)CC1 1912205298 OAXKASNLFXXPNY-UHFFFAOYSA-N 263.323 -0.022 10 10 CBCE Cn1c(O)nc(Sc2ncc(CO)s2)nc1=O 1996423942 AJMLYWHVGSQFBP-UHFFFAOYSA-N 272.311 -0.019 10 10 CBCE N[C@H]1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)[C@H](O)C1 2096480948 PRHJHINGGGRARU-ATZCPNFKSA-N 266.297 -0.074 10 10 CBCE COC[C@@](O)(CO)CNCc1cc(OC)ccc1O 2102398498 CYIBGIPKOFFUBG-ZDUSSCGKSA-N 271.313 -0.140 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2ccc3c(c2)CCO3)C1 2104272909 AEXGNPZPHAUMGD-NWDGAFQWSA-N 283.349 -0.131 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(O)c(O)c1O 2117464337 XQOHJMALJRILKI-WRWORJQWSA-N 268.269 -0.464 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H](CO)C[C@H]2OCC[C@H]21 2146631195 DCCOUOLOKNFYRS-IVZWLZJFSA-N 280.280 -0.143 10 10 CBCE O=C1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]2CC[C@@H]2N1 2188916611 QPKDFJFEQQSYCZ-JGVFFNPUSA-N 278.264 -0.094 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@H]2COC[C@@H]21 2188937121 BDHIIIFOROLMHP-IUCAKERBSA-N 280.280 -0.384 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](O)C[C@@H](N)C2)cc1 2191654459 RDBIQDSPDJTOTH-NEPJUHHUSA-N 279.340 -0.042 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2C[C@H](C1)O2 2198588797 ZJGYKTSFSKCGNJ-AXFHLTTASA-N 278.308 -0.033 10 10 CBCE N=c1nnc(OCc2ccn(C(F)(F)F)n2)n[nH]1 2318065484 CMMTXBIUCBSGLC-UHFFFAOYSA-N 261.167 -0.069 10 10 CBCE Nc1ccc(NC(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332922879 ITCKJCDPZQGLII-AXFHLTTASA-N 267.285 -0.801 10 10 CBCE NC1=C[C@@H](C(=O)O)C(=S(=O)=O)C([N+](=O)[O-])=C1Cl 95932727 GBQOGOGKLFWAFM-UWTATZPHSA-N 280.645 -0.678 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCC(=O)NC1=O 130453995 ICDKCNHOMJBVPH-QMMMGPOBSA-N 262.269 -0.415 10 10 CBCE CN(C)S(=O)(=O)CCNCc1ccc(O)c(O)c1O 230987428 HKUVFBANEPETKO-UHFFFAOYSA-N 290.341 -0.216 10 10 CBCE O=C(N[C@H]1COCC[C@@H]1O)c1cccc(O)c1O 710866014 KXLWLBRLPFRSPB-IUCAKERBSA-N 253.254 -0.023 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1COC[C@@H]1N 2132419094 PTYGCUVOSYQVJB-YUMQZZPRSA-N 268.269 -0.399 10 10 CBCE C[C@]1(O)CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 2136876417 FOCKVBFTSVCUCE-UFBFGSQYSA-N 268.269 -0.549 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC1(CCO)CNC1 2175828054 IEKAZTCEODJEJT-UHFFFAOYSA-N 280.324 -0.272 10 10 CBCE C[C@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 2197951595 GHMLMLHXFXAFJS-JSGCOSHPSA-N 281.308 -0.016 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1cccc(O)c1O 2233864005 XBOBNOPUZBYIIZ-HLUHBDAQSA-N 283.280 -0.710 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@]23CNC[C@@H]2C3)cc1 2238875392 STGBAJFDOXZFNH-GWCFXTLKSA-N 297.380 -0.071 10 10 CBCE NC(=O)COCCN1CCN(c2ccc(N)cc2)CC1 2241082772 XQRXEDRMEOFKLM-UHFFFAOYSA-N 278.356 -0.107 10 10 CBCE Nc1cc2c(cc1N1CC[C@@H]1[C@@H](O)CO)OCCO2 2270705281 ODNDWIRNDCWWHX-KOLCDFICSA-N 266.297 -0.028 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2329327300 YEYQEGQDTZTNBW-ROFGYOSQSA-N 265.265 -0.336 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332919656 GASPSFPGRZZQPI-PCDDKUFXSA-N 266.341 -0.130 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@H]4COC[C@H]43)ccc2[C@H]1O 2354366094 AAPSRHAFXHFAHT-ZBAXXZLZSA-N 276.292 -0.132 10 10 CBCE COCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40457777 YREDXNRUDXMJHM-VIFPVBQESA-N 254.286 -0.270 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCS(=O)(=O)C1 243504160 NXDWJYXJRGUFCX-SECBINFHSA-N 285.321 -0.056 10 10 CBCE Nc1ccc(OCCNC(=O)COCC(=O)O)cc1 381978144 HYVQTSVXPVMERD-UHFFFAOYSA-N 268.269 -0.135 10 10 CBCE CNC(=O)C1CN(C(=O)COc2ccc(N)cc2)C1 381982363 CLKCNYFVMWJYSX-UHFFFAOYSA-N 263.297 -0.148 10 10 CBCE NC(=O)N[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 690715612 RLBSHKAIEAPASP-QMMMGPOBSA-N 265.269 -0.019 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@H]1COC[C@H]1N 708126821 CUIKPLCCVXPXJO-BDAKNGLRSA-N 252.270 -0.104 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@]12COC[C@@H]1C2 718027038 RTGKIHAJISUGDY-BHDSKKPTSA-N 278.308 -0.127 10 10 CBCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCCS(=O)(=O)C1 1912169255 IULBVFBKGJKZRG-SCZZXKLOSA-N 289.361 -0.045 10 10 CBCE Cn1cc(S(=O)(=O)N2CC[C@H](N=[N+]=[N-])C2)nn1 1912201162 QDQUNGGMGRKCQS-LURJTMIESA-N 257.279 -0.112 10 10 CBCE O=C(O)[C@@H]1C(=O)NC[C@H]1c1ccc(O)c(O)c1O 1951651491 QCKHEPVUQYQYJX-FSPLSTOPSA-N 253.210 -0.282 10 10 CBCE CO[C@@H]1CNCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2090583012 JPXATWVBMYJQMK-DTWKUNHWSA-N 267.285 -0.401 10 10 CBCE CN1CCN[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 2098258981 SSSMQSYZMJHGIN-SECBINFHSA-N 266.301 -0.874 10 10 CBCE O=S1(=O)C[C@@H]2NCCN(Cc3ccc(O)c(O)c3)[C@H]2C1 2143719187 KCEYFKSYNRNSSA-QWRGUYRKSA-N 298.364 -0.331 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC(S(C)(=O)=O)C3)cc21 2152281438 PHODKSPMAZMJOH-GFCCVEGCSA-N 296.348 -0.070 10 10 CBCE O=C1Nc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc2[C@H]1O 2160704414 QCGDYPAUJMUPSJ-RSCDFWHDSA-N 276.292 -0.398 10 10 CBCE CN(C)c1ccc([C@H](O)[C@]2(C(=O)O)C[C@H](O)CN2)cc1 2164762500 SNRVPJAHMDCEKN-OBJOEFQTSA-N 280.324 -0.036 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)C1(C(=O)O)COC1 2173121957 PPRQXSKDIQEWBZ-UHFFFAOYSA-N 281.264 -0.048 10 10 CBCE O=C(N[C@H]1COC[C@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2188868190 NHFRLJPZARZGOG-RQJHMYQMSA-N 283.236 -0.367 10 10 CBCE O=C(NC[C@H]1C[C@H](CO)CO1)c1cc(O)c(O)c(O)c1 2188874410 HCPHPOVSSHJEGH-VXNVDRBHSA-N 283.280 -0.069 10 10 CBCE Cn1cc(CN)c(=NC(=O)c2cc(O)c(O)c(O)c2)[nH]1 2188926275 YQLISFUVWLKILF-UHFFFAOYSA-N 278.268 -0.330 10 10 CBCE CS(=O)(=O)[C@H]1CNC[C@H]1NC(=O)Nc1ccc(N)cc1 2192660758 VYROXRYJLVRRHS-MNOVXSKESA-N 298.368 -0.225 10 10 CBCE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1c(N)cccc1C(=O)O 2192675886 JIFJDHKNJFIHJC-VHSXEESVSA-N 299.352 -0.236 10 10 CBCE O=C1NCCN1CCn1ccc2c(c1=O)CNCC2 2228548395 JWLSSMYMBLIQCG-UHFFFAOYSA-N 262.313 -0.481 10 10 CBCE CN(C(=O)CN1CC[C@@H]1[C@H](O)CO)c1ccc(N)cc1 2286203807 BEEWVEXCWZZBJK-CHWSQXEVSA-N 279.340 -0.341 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)C[C@H](O)[C@@H]1O 2289358945 YBFXAEXHTRJWRB-FBUXBERBSA-N 279.336 -0.184 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCc1cnn[nH]1 398359206 ITOVYLAROPHRDM-VIFPVBQESA-N 277.284 -0.598 10 10 CBCE Cn1nnnc1CNC(=O)c1c(F)ccc(O)c1O 1558969662 OFLGLEJGRXAJJC-UHFFFAOYSA-N 267.220 -0.310 10 10 CBCE NC[C@H]1COC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876465745 KAELWPDFYZUNDI-CMPLNLGQSA-N 285.369 -0.338 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H](O)C1 1963565845 QCRGNSAERKWFRR-SNVBAGLBSA-N 267.281 -0.140 10 10 CBCE O=C(NCc1ccccc1O)[C@@]1(CO)CCNC1 2041901070 WMTFHKMEVVCCID-ZDUSSCGKSA-N 250.298 -0.020 10 10 CBCE CO[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2087725234 ROXAHDZODNAZLJ-JTQLQIEISA-N 269.253 -0.144 10 10 CBCE [N-]=[N+]=NCCNC1(C(N)=O)C[C@H]2CS(=O)(=O)C[C@@H]2C1 2104837365 MEFZQYDDZKVLHN-YUMQZZPRSA-N 287.345 -0.435 10 10 CBCE O=S1(=O)C[C@@H](NCc2cc(F)cc(F)c2O)[C@@H](O)C1 2121363557 IQFMXCYMBVGBIL-ZJUUUORDSA-N 293.291 -0.082 10 10 CBCE CO[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1N 2122510064 NDHBVSNKADJJJE-CABZTGNLSA-N 266.297 -0.175 10 10 CBCE Nc1ccc(CC(=O)NC2CC(O)(C(=O)O)C2)cc1 2127759572 VSWFSVPNYLFYTP-UHFFFAOYSA-N 264.281 -0.094 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2166419607 RUSFOCNRPGCDQC-AWTVOTCNSA-N 277.324 -0.090 10 10 CBCE NC1(C(=O)NCCc2ccc(O)c(O)c2)CC(CO)C1 2194078721 NHRDSZNLBGZUCA-UHFFFAOYSA-N 280.324 -0.144 10 10 CBCE [N-]=[N+]=NCCCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(=O)O 2225792380 MRPZDCTYAOIMIG-RNFRBKRXSA-N 290.301 -0.452 10 10 CBCE COC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40468262 HSSQJSXMTBCQPO-VIFPVBQESA-N 282.296 -0.401 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc(CNC2CC2)cc1F 61808320 IUEOFZHWDMRVHL-UHFFFAOYSA-N 294.330 -0.145 10 10 CBCE N[C@@H](c1nnc(CO)o1)c1ccc(O)c(O)c1O 83394540 WSNBGOUXJMWDEO-SSDOTTSWSA-N 253.214 -0.273 10 10 CBCE CO[C@H]1COCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 386905975 ZLHZVERRBMYCSG-WPRPVWTQSA-N 257.294 -0.064 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN2C[C@@H](O)C[C@H]2C1 405317662 PXAYTNIYOOBZTN-UWVGGRQHSA-N 279.296 -0.616 10 10 CBCE NC(=O)C(NCc1cc(Cl)ccc1O)C(N)=O 710059880 BPWSNPULUXLZFG-UHFFFAOYSA-N 257.677 -0.526 10 10 CBCE COCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(N)=O 1566837527 OLFOKELGUXHZCV-VIFPVBQESA-N 282.296 -0.353 10 10 CBCE C[C@H](Oc1ccc(N)cc1)C(=O)N[C@H](C(=O)O)[C@H](C)O 1860082826 UZSOHDOPSGQPER-LAEOZQHASA-N 282.296 -0.014 10 10 CBCE CN(CCN=[N+]=[N-])S(=O)(=O)N1CCC[C@@H](O)C1 1912183688 SHIOJCMGPMLGAU-MRVPVSSYSA-N 263.323 -0.070 10 10 CBCE COC[C@@](C)(CO)CNC(=O)c1cc(O)nc(O)c1 1926957963 VQBVTCBUKTXWMA-GFCCVEGCSA-N 270.285 -0.132 10 10 CBCE O=C(N[C@@H]1CNCC[C@@H]1CO)c1cccc(O)c1O 2116268261 IZWGXVSDJRDEPP-PSASIEDQSA-N 266.297 -0.202 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(F)cc2O)[C@@H](O)[C@H]1O 2139879028 PYMAPQMERFRNSE-SKZLGDCLSA-N 271.288 -0.277 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2CNCc3nccn3C2)C1 2168869855 LOQBOGSDKSZLDN-DCAQKATOSA-N 276.340 -0.132 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1c(O)cccc1O 2177943293 FRMKCYHMSNLRCA-IYLXTKDESA-N 283.324 -0.149 10 10 CBCE NC(=O)N1CC(CNC(=O)COc2ccc(N)cc2)C1 2181223764 MAVIWNOAYDVZJS-UHFFFAOYSA-N 278.312 -0.226 10 10 CBCE C[C@@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1O 2184140297 JPSZBWBMKJZCRZ-HQJQHLMTSA-N 278.312 -0.798 10 10 CBCE N[C@H]1CCc2cc(N3CC4(C3)OC[C@H](O)[C@@H]4O)ccc21 2184736274 RFCAKMYYTBPQQM-IHRRRGAJSA-N 276.336 -0.057 10 10 CBCE Cc1ccc([C@@H](N)C(=O)NC[C@@H](O)CO)c(O)c1 83398404 CBCNYPMROKQAKV-LDYMZIIASA-N 254.286 -0.830 10 10 CBCE N[C@H](c1nnc([C@H](O)C(=O)O)o1)c1ccccc1O 83480489 VNZSGVLCJPWNCP-YUMQZZPRSA-N 265.225 -0.059 10 10 CBCE C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(O)nc(O)c1 393325214 KSZFZULFBVJLPK-XPUUQOCRSA-N 265.269 -0.110 10 10 CBCE CS(=O)(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 703015332 MGMIAHJASPRZNB-LLVKDONJSA-N 297.336 -0.590 10 10 CBCE CC(=O)C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 808496093 ZWKUUJMAQLXJFX-UHFFFAOYSA-N 274.236 -0.023 10 10 CBCE O=S(=O)(NCc1c(O)cccc1F)C1CNC1 923676328 GVTAESWYAHTDFN-UHFFFAOYSA-N 260.290 -0.078 10 10 CBCE CC(=O)NCCNC(=O)CCN1C(=O)CSC1=S 1865765251 XWRQKQLHUAFRKC-UHFFFAOYSA-N 289.382 -0.511 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)[C@@H](O)C1 2068406576 MPOJDPWBBITZAZ-SFYZADRCSA-N 254.242 -0.940 10 10 CBCE C[C@H](NS(=O)(=O)N1CC(N)C1)c1ccccc1O 2072489080 DUMAMLDRTRZBCX-QMMMGPOBSA-N 271.342 -0.070 10 10 CBCE C[C@H](NC(=O)CNC(=O)CN)c1ccccc1O 2072491776 UXJKMMMHICZVBO-QMMMGPOBSA-N 251.286 -0.356 10 10 CBCE O=C1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)N1 2096083110 ZATJAQIOMTXLJE-SSDOTTSWSA-N 264.237 -0.828 10 10 CBCE O=C(N[C@@H]1CCNC[C@@H]1CO)c1ccc(O)c(O)c1 2116265032 IPUQMKABQKBTGI-NXEZZACHSA-N 266.297 -0.202 10 10 CBCE O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2188867698 FLCYUQZQACEAFK-QUBYGPBYSA-N 283.236 -0.225 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@@H]2CNC[C@@H]21 2188921693 CUEGAYWWBJACBH-GZMMTYOYSA-N 280.280 -0.384 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)OC(F)(F)O2 2235075647 GVQIPQYDJVPQFD-FYBVGQRMSA-N 289.234 -0.089 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2CNCCNC2)cc1 2272025160 XFVOBSZJVQMXGG-UHFFFAOYSA-N 284.385 -0.750 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1Cl 2273650548 JQRBDQRYCHTPTB-TVYUQYBPSA-N 286.759 -0.051 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(C=O)c1 2333715699 GJEXGOJLVYYZAM-UPJWGTAASA-N 267.281 -0.590 10 10 CBCE NC(=O)CCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40464058 MWOINHTXXUWXKB-VIFPVBQESA-N 281.312 -0.651 10 10 CBCE CC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 40482347 GQXBAPPBHZJXLO-IUCAKERBSA-N 282.296 -0.053 10 10 CBCE N[C@@H](c1nnc([C@H](O)C(=O)O)o1)c1ccccc1O 83480490 VNZSGVLCJPWNCP-SFYZADRCSA-N 265.225 -0.059 10 10 CBCE NC(=O)[C@H]1COCCN1C(=O)COc1ccc(N)cc1 158742817 OUILBWYBPLAJCF-LLVKDONJSA-N 279.296 -0.640 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1 316614642 ZYFFIUQYFVPIGW-GWCFXTLKSA-N 280.324 -0.151 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H]1CSCN1C(C)=O 808515671 WDWOBJYQNCULET-QMMMGPOBSA-N 259.283 -0.391 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CNOC2)cc1 1876412057 YAQHZNRMMGEYIY-SNVBAGLBSA-N 287.341 -0.530 10 10 CBCE CN(C)Cc1cc([C@@H](O)[C@H](N)C(=O)O)ccc1O 1952357652 WGAKLYHHGSNYSU-WDEREUQCSA-N 254.286 -0.101 10 10 CBCE O=C(NC[C@@H]1COC[C@@H]1O)c1ccc(O)c(O)c1 2036576921 KSENRCXDEZKZNG-KCJUWKMLSA-N 253.254 -0.165 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 2043185520 WTSFPOFKOHCINO-TXEJJXNPSA-N 250.298 -0.235 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CC[S@](=O)C3)c2n1 2062045464 DAWCCJMTXOGLPN-FHZGZLOMSA-N 294.336 -0.006 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2144024657 CENJXFROTGITDO-ISTUKMMPSA-N 278.308 -0.129 10 10 CBCE COc1ccc(O)c(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c1 2177944796 OIAUJBXPBDQXPA-WGEPELCKSA-N 283.324 -0.407 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 2233862433 JJZCSBBOWAYMOQ-FXAINCCUSA-N 283.280 -0.710 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2260758374 FHBCYOHOVFDEDQ-DRZSPHRISA-N 253.298 -0.671 10 10 CBCE O=C(c1cccc(O)c1O)N1CC(O)(C(F)(F)CO)C1 2288481610 XNVONOSPNBIDGS-UHFFFAOYSA-N 289.234 -0.088 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@@H]3CO)ccc21 168234658 RNDBXPBRRIKRMF-JOYOIKCWSA-N 263.297 -0.164 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@](=O)CC(N)=O 302395518 VNWINWGRTXPZEC-LWESTGQBSA-N 269.326 -0.170 10 10 CBCE C[C@](CO)(NC(=O)c1cc(O)nc(O)c1)C(=O)O 313508273 ZPLJYAQJILLUHV-SNVBAGLBSA-N 256.214 -0.942 10 10 CBCE CCO[C@@H]1COCC[C@@]1(NCCN=[N+]=[N-])C(N)=O 686591825 XVKPXTLTONQOPE-SCZZXKLOSA-N 257.294 -0.064 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](CO)[C@@H](CO)C2)cc1 707623729 UATIVTCEPFLEPF-TXEJJXNPSA-N 264.325 -0.130 10 10 CBCE O=C1C[C@@H](c2cc(O)c(O)c(O)c2)[C@H](C(=O)O)N1 1951858181 FKMRWKBJPKJBMR-SSDLBLMSSA-N 253.210 -0.140 10 10 CBCE O=C(NCCO[C@H]1CCNC1)c1cc(O)nc(O)c1 2109124599 YXHXOGNPVQDRKP-VIFPVBQESA-N 267.285 -0.399 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2136334927 GASPSFPGRZZQPI-QQUHWDOBSA-N 266.341 -0.130 10 10 CBCE NC(=O)C1[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]12 2136570246 HMMSLRCDCNNTDU-YUMQZZPRSA-N 262.265 -0.099 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@@]3(CO)CO4)ccc21 2151001390 PWFGHHLPOBLPIQ-GAJTVXKRSA-N 275.308 -0.022 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCc1ccc(N)cc1 2174100209 JSPZRJZJYZAFDL-WCQYABFASA-N 277.324 -0.040 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@@H]2O 2182527584 DKIHCIDWLUCJOD-IWXIMVSXSA-N 279.292 -0.089 10 10 CBCE CCN(CCN=[N+]=[N-])C(=O)CN1C(=O)CNC1=O 2315991936 FFOKEFPVHMEBGZ-UHFFFAOYSA-N 254.250 -0.303 10 10 CBCE Oc1cc2c(c(O)c1O)CCN[C@@H]2[C@H]1C[C@@H](O)CN1 75819377 PCXGUUOUTBBBBK-CGYDSVCVSA-N 266.297 -0.287 10 10 CBCE CN(C[C@H](N)CN)c1ccc2c(c1)NC(=O)CO2 259182135 WEGPUZOWJVZGKT-MRVPVSSYSA-N 250.302 -0.260 10 10 CBCE C[C@H](NC(C(N)=O)C(N)=O)c1c(O)cccc1O 695341688 QUCYYUCHCAOYAW-YFKPBYRVSA-N 253.258 -0.912 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)C[C@H]1CO)NC(=O)CO2 704708203 OEXFRYNYVAIVIG-JGVFFNPUSA-N 279.296 -0.468 10 10 CBCE O=C1CSC[C@@H](C(=O)NCc2cccc(O)c2O)N1 1528780105 ICRFHGSHCXTGNG-QMMMGPOBSA-N 282.321 -0.054 10 10 CBCE CN(Cc1ccccc1O)[C@@H]1CS(=O)(=O)C[C@H]1O 1964603082 VHIKCKYLHJLPAN-ZYHUDNBSSA-N 271.338 -0.018 10 10 CBCE NCc1cn(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)nn1 2049784290 JIOOHTAQETXVJL-ZKCHVHJHSA-N 251.290 -0.998 10 10 CBCE Nc1ccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)cc1 2057792059 MLRGETSUHKPHKO-XEZLXBQYSA-N 252.314 -0.539 10 10 CBCE NCC(CN)NC(=O)CCOc1ccc(N)cc1 2071720798 IHWQTIULMXXHJS-UHFFFAOYSA-N 252.318 -0.560 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H]2NCCO[C@@H]2C1 2097691851 CZOCUYKOHAKLAV-MWLCHTKSSA-N 264.281 -0.089 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)NCC1(CN=[N+]=[N-])CC1 2117725121 QRCWAPMGGLEIEU-UHFFFAOYSA-N 290.349 -0.411 10 10 CBCE O=S1(=O)C[C@H]2NCCN(Cc3ccc(O)c(O)c3)[C@@H]2C1 2143719185 KCEYFKSYNRNSSA-GHMZBOCLSA-N 298.364 -0.331 10 10 CBCE O=C(O)CN(CC(=O)O)C(=O)Cc1ccc(O)c(O)c1 2144020675 VRJUUSVTPZRWHH-UHFFFAOYSA-N 283.236 -0.362 10 10 CBCE CNCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1 2183630846 FMHDOGLEQXDNJY-STQMWFEESA-N 282.315 -0.144 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)C[C@H]3CO)ccc2[C@@H]1O 2200831668 AVALAIRBWSWEPE-KWBADKCTSA-N 278.308 -0.006 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@]2(C[C@H](O)CO2)C1 2201758278 LUDXYKHKMIJSBH-ZANVPECISA-N 280.280 -0.141 10 10 CBCE COC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40463538 CGOGLYAMLUWNSV-CBAPKCEASA-N 282.296 -0.355 10 10 CBCE CN(C[C@@H](O)CN)c1ccc2c(c1)NC(=O)CO2 258900700 HORNPLIELSQMKJ-VIFPVBQESA-N 251.286 -0.227 10 10 CBCE N#Cc1cc(CN)ccc1N1C[C@@H]2C(=O)NC(=O)[C@H]2C1 387082692 ZRYJRMQYCRAKDV-QWRGUYRKSA-N 270.292 -0.274 10 10 CBCE NC(=O)C(NCc1c(O)ccc2ccccc12)C(N)=O 695289636 QILCYYXJSXVPLE-UHFFFAOYSA-N 273.292 -0.026 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@]2(O)CCNC2)cc1 1876522489 BXPHLXAGFRFIIS-CYBMUJFWSA-N 265.313 -0.512 10 10 CBCE O=[N+]([O-])c1cccc([C@H]2CS(=O)(=O)NCCN2)c1O 1952451022 OEXKZFFLFKJCAY-MRVPVSSYSA-N 287.297 -0.136 10 10 CBCE O=S1(=O)CCN[C@@H](c2c(O)cc(O)cc2O)C1 1952599520 XVTAUXQQSVGBDV-SSDOTTSWSA-N 259.283 -0.138 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)CO2)cc1 2052291835 IPEOAHMEQYCPIP-MNOVXSKESA-N 254.286 -0.383 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O 2121476649 WTICHQOPZLAINV-QIRAZROLSA-N 267.325 -0.107 10 10 CBCE COC(=O)C1(O)CN(c2ccc(CO)c(OC)c2)C1 2139686281 JBVFTAAYFPILEW-UHFFFAOYSA-N 267.281 -0.088 10 10 CBCE COC(=O)[C@H](NC=O)[C@@H](O)c1ccc2c(c1)CCN2C 2178350678 BVGXQWSYBVUICK-OLZOCXBDSA-N 278.308 0.000 10 10 CBCE N[C@@H]1CCc2cc(N3CC4(C3)OC[C@H](O)[C@@H]4O)ccc21 2184730092 RFCAKMYYTBPQQM-RDBSUJKOSA-N 276.336 -0.057 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H]1[C@H](O)CO 2188874419 HGEFCSUMSGVEJF-LDYMZIIASA-N 283.280 -0.239 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCNC[C@H]2CO)cc1 2191656801 XGLAVXNULJQYNA-GXFFZTMASA-N 279.340 -0.266 10 10 CBCE COc1cc(N2CCOC[C@H]2[C@H](O)CO)ccc1CN 2204540174 UZRMAZAGSJWYAH-QWHCGFSZSA-N 282.340 -0.288 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3[C@H](O)CO)ccc21 2286225675 JWAWKQCRUIAOLY-UPJWGTAASA-N 277.324 -0.169 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(CC(=O)O)C1 81738061 OJDJDKHJCVGUKJ-JTQLQIEISA-N 294.307 -0.099 10 10 CBCE N[C@]1(C(=O)O)CCN(C(=O)c2cccc(O)c2O)C1 229242131 OXDWEZDOKAHMHY-GFCCVEGCSA-N 266.253 -0.274 10 10 CBCE CN(Cc1ccccc1O)C(=O)Cn1cnc(C(N)=O)n1 1149871613 JUZSJMRZFYFEGZ-UHFFFAOYSA-N 289.295 -0.259 10 10 CBCE Cn1cnnc1[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1641931616 XWDKUUBPTYDNBY-VIFPVBQESA-N 292.295 -0.381 10 10 CBCE [N-]=[N+]=NC1CN(S(=O)(=O)N2CCC[C@@H](O)C2)C1 1912201807 ZKEFWWCREZFCHR-MRVPVSSYSA-N 261.307 -0.318 10 10 CBCE O=C(O)[C@H]1C(=O)NC[C@H]1c1ccc(O)c(O)c1O 1951651488 QCKHEPVUQYQYJX-CAHLUQPWSA-N 253.210 -0.282 10 10 CBCE C[C@@](CCS(C)(=O)=O)(NCCN=[N+]=[N-])C(N)=O 1997981451 AUUVPHXCAYIATH-QMMMGPOBSA-N 263.323 -0.435 10 10 CBCE CN(C)c1ccc(CNS(=O)(=O)N2CC(N)C2)cc1 2102760817 QXJWNLHCLJFOIT-UHFFFAOYSA-N 284.385 -0.270 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2105076647 YASYBRRJNVDNSS-SBMIAAHKSA-N 263.297 -0.430 10 10 CBCE CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2124805535 XHLAYUFRHUXBMY-XVKPBYJWSA-N 268.269 -0.551 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)C[C@H]1CO 2136063576 XEYTWUGZNWJUSB-IUCAKERBSA-N 268.269 -0.549 10 10 CBCE Nc1ccc(OCCN2CCN(CCO)C(=O)C2)cc1 2171075136 XFKKHJNQEMWEAL-UHFFFAOYSA-N 279.340 -0.216 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2[C@@H](CO)CO[C@H]2C1 2178148525 UWJAXMRCHSIZKD-AEJSXWLSSA-N 280.280 -0.428 10 10 CBCE NCC[C@@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188924398 QDLNYDROLHIGOK-SECBINFHSA-N 282.296 -0.007 10 10 CBCE NC[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)CCO1 2191592716 DAHXIUQSJUMYLU-QMMMGPOBSA-N 278.312 -0.236 10 10 CBCE NC[C@H]1COCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2193252632 IQKRIOIEHSKVSM-DTWKUNHWSA-N 282.296 -0.103 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(OC)c1 2226810788 VXNWRGXNMMNAKI-GMXVVIOVSA-N 269.297 -0.394 10 10 CBCE CCS(=O)(=O)N(C)Nc1nc([C@H](N)C(=O)O)cs1 2317458473 STLLFBNNUOMSBT-LURJTMIESA-N 294.358 -0.164 10 10 CBCE Nc1ccc(OCCCS(=O)(=O)C[C@@H](O)CO)cc1 58262758 KIOLJKSMNZUUGH-NSHDSACASA-N 289.353 -0.194 10 10 CBCE O=C(CN1C(=O)CSC1=S)N1CCNCC1 82655428 OAGGITSEJVZEGQ-UHFFFAOYSA-N 259.356 -0.722 10 10 CBCE COC(=O)NS(=O)(=O)NCc1ccc(N)cc1 162771289 TUOMCDRWZPYHBQ-UHFFFAOYSA-N 259.287 -0.041 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN(C2CNC2)CC1 236583445 VKGBRZJPGFHIGS-UHFFFAOYSA-N 277.324 -0.173 10 10 CBCE CN(C(=O)CN1CCN(C)S1(=O)=O)c1ccc(N)cc1 381939749 VOKGFMFHOLCHDR-UHFFFAOYSA-N 298.368 -0.276 10 10 CBCE COCC1(O)CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 384092664 CEPINJJPEFTNFV-LBPRGKRZSA-N 277.324 -0.140 10 10 CBCE O=C(O)[C@H]1C[C@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 401976596 VNOFYUOGEUAFCX-YUMQZZPRSA-N 282.252 -0.600 10 10 CBCE O=C(CN1CC(=O)NC1=O)NCCc1ccc(O)c(O)c1 768904388 YIUNNJZEOLXWOI-UHFFFAOYSA-N 293.279 -0.692 10 10 CBCE O=C(N[C@H](CO)CN1CCOCC1)c1cccc(O)c1O 820015939 OKHOEUXVAKNGRW-JTQLQIEISA-N 296.323 -0.479 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC1(CO)CO 1879996332 OAUUIGPAORHSPU-UHFFFAOYSA-N 269.253 -0.627 10 10 CBCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)C1CCS(=O)(=O)CC1 1912187093 FKCLBBKIUZCDPA-JTQLQIEISA-N 289.361 -0.045 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCNNCC1 2068618416 QKOKCVNPFVVKDE-UHFFFAOYSA-N 253.258 -0.647 10 10 CBCE O=C1Nc2cc(N3C[C@H](CO)C[C@H]3CO)ccc2[C@@H]1O 2146080005 KPQYSEXBZOFYDM-DVYJOKAKSA-N 278.308 -0.148 10 10 CBCE O=C1NC[C@@]2(CCN(C(=O)c3ccc(O)c(O)c3)C2)N1 2177673355 NGLXZRGSYXPFTC-CYBMUJFWSA-N 277.280 -0.005 10 10 CBCE N[C@H]1CCc2cc(N3CC4(C3)OC[C@@H](O)[C@@H]4O)ccc21 2184736276 RFCAKMYYTBPQQM-MJBXVCDLSA-N 276.336 -0.057 10 10 CBCE NC(=O)NCC1CN(C(=O)COc2ccc(N)cc2)C1 2187287734 FZBHZYIFHPVAAQ-UHFFFAOYSA-N 278.312 -0.226 10 10 CBCE CN(C[C@H]1COCCN1)C(=O)c1cc(O)c(O)c(O)c1 2188918514 FRUBRQHDSWMLAL-VIFPVBQESA-N 282.296 -0.136 10 10 CBCE N[C@]1(C(=O)O)C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188928276 JZJKCBHEHAMDDE-KEYALVSWSA-N 282.252 -0.522 10 10 CBCE [N-]=[N+]=NCCNC1(C(=O)O)C[C@H]2COC[C@@H](C1)N2 2257970944 BPYFHTNLLKOAMW-JWHQNHQBSA-N 255.278 -0.140 10 10 CBCE Nc1ccc(NC(=O)N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2289487975 FEPNNOVUAFNMJC-ZHAHWJHGSA-N 281.312 -0.553 10 10 CBCE O=C(O)[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2295622048 KMAKRBYIHRZGFT-SFYZADRCSA-N 282.252 -0.600 10 10 CBCE CN1C(=O)C(=CNCCN2CCCCC2)C(=O)NC1=S 2297510248 WGKXLKOAQZHEEY-UHFFFAOYSA-N 296.396 -0.181 10 10 CBCE Nc1ccc(NC(=O)CCN2C[C@H](O)[C@@H](CO)C2)cc1 316334839 DAIUVFYSRHECKJ-MFKMUULPSA-N 279.340 -0.118 10 10 CBCE C[S@@](=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 385499090 FAJOEOQJJSUQTE-BWKAKNAASA-N 259.283 -0.023 10 10 CBCE O=C(c1cccc(O)c1O)N1CCO[C@H]2CNC[C@H]21 686540526 CDMQSBFFRRDOJZ-KOLCDFICSA-N 264.281 -0.089 10 10 CBCE COC[C@H](CO)NC(=O)c1c(F)ccc(O)c1O 1638643775 DXPUAECCVXAJRT-LURJTMIESA-N 259.233 -0.026 10 10 CBCE NC[C@H]1C[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 1876416775 BCTKOABQYFYKNC-SKDRFNHKSA-N 285.369 -0.086 10 10 CBCE Nc1ccc(OCC(=O)N2CCOC[C@H](N)C2)cc1 1876473871 SGIFSMVZFKMFJK-LLVKDONJSA-N 265.313 -0.166 10 10 CBCE Nc1ccc(CCC(=O)N2CCNC[C@@H]2CO)cc1 1876477515 KQMJZGADVKYSDJ-CYBMUJFWSA-N 263.341 -0.006 10 10 CBCE O=C(NCc1ccccc1O)[C@]1(O)CCNC[C@H]1O 1890422165 PRJFZFLPWQUIEF-YPMHNXCESA-N 266.297 -0.906 10 10 CBCE COc1cccc(O)c1[C@H]1CS(=O)(=O)NCCN1 1952460597 XTPDYGCGGQOJBK-MRVPVSSYSA-N 272.326 -0.036 10 10 CBCE NS(=O)(=O)NCCN[C@@H]1CCc2cccc(O)c21 2039800456 BQPMRWVKBMTPPG-SECBINFHSA-N 271.342 -0.238 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(O)cc2O)C1 2057716446 CQFGNAQLHIGUAH-MWLCHTKSSA-N 273.310 -0.655 10 10 CBCE NC(=O)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2068575175 BCUZUURPCOCSRO-UHFFFAOYSA-N 252.226 -0.639 10 10 CBCE O=C(O)[C@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188868710 VRDHBGLVTQRISC-SSDOTTSWSA-N 283.236 -0.271 10 10 CBCE NC(=O)COCCOc1ccc(N2CCNCC2)cc1 2241020909 LCOCLNRDMOERIO-UHFFFAOYSA-N 279.340 -0.023 10 10 CBCE Nc1cc2c(cc1N1C[C@@H]3C[C@H]1[C@H](O)[C@H]3O)OCCO2 2354474221 KUOFTNQTNHNSRF-MHWWPZMWSA-N 278.308 -0.030 10 10 CBCE O=C(CN1CCN(CCO)CC1)c1ccc(O)c(O)c1 50132147 DDNSSJYYVWORLM-UHFFFAOYSA-N 280.324 -0.110 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1cccc(F)c1O 83413931 MCSBTHFUDDOMFI-SECBINFHSA-N 256.233 -0.180 10 10 CBCE COC(=O)C(NCc1cccc(O)c1O)C(=O)OC 106305291 ZEVYVGPANQGIAG-UHFFFAOYSA-N 269.253 -0.098 10 10 CBCE CC(CO)(CO)CNC(=O)c1ccc(O)c(O)c1 393873222 QCRCKJWFXXGTNF-UHFFFAOYSA-N 255.270 -0.182 10 10 CBCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 701318606 KRBHUSZKZPUGEQ-ZETCQYMHSA-N 266.261 -0.161 10 10 CBCE C[C@@]1(CO)C[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1453749982 VAZFWWYPGKLTDM-HZMBPMFUSA-N 281.308 -0.016 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@H](N)[C@H](CO)C2)cc1 1876483404 PGDUTPBRJMXTSR-WCQYABFASA-N 263.341 -0.021 10 10 CBCE [N-]=[N+]=NC1CCN(S(=O)(=O)N2CC(O)C2)CC1 1912163384 JABVPKYYLOKNRJ-UHFFFAOYSA-N 261.307 -0.318 10 10 CBCE COc1cccc(O)c1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2108826323 UWFVTLSSDYFGJW-RFUOJGKKSA-N 269.297 -0.655 10 10 CBCE O=C(NCCCOCCO)c1cc(O)c(O)c(O)c1 2132348772 RXCRCVORMSNGPD-UHFFFAOYSA-N 271.269 -0.068 10 10 CBCE COC(=O)[C@@H](CC(=O)O)NC(=O)Cc1ccc(N)cc1 2159005189 SGXQSRUQIFMESU-SNVBAGLBSA-N 280.280 -0.056 10 10 CBCE Nc1ccc(CN2CC[C@@H](O)[C@@H](O)[C@H]2C(=O)O)cc1 2332505500 MQIQYRCUGRVXLR-GRYCIOLGSA-N 266.297 -0.351 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)CCc2ccc(N)cc2)C1 380177163 AMQJVMCICBAGDB-AWEZNQCLSA-N 277.324 -0.350 10 10 CBCE CCOC(=O)[C@@H](CC(N)=O)NC(=O)Cc1ccc(N)cc1 1865956628 AYMYRKHLDCZCNT-LLVKDONJSA-N 293.323 -0.265 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2C[C@H]2N)cc1 1876406532 QATJWIALUJYYRZ-BXKDBHETSA-N 285.369 -0.086 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H](O)C1 1963565844 QCRGNSAERKWFRR-JTQLQIEISA-N 267.281 -0.140 10 10 CBCE Cc1cccc(O)c1CN[C@H]1CS(=O)(=O)C[C@H]1O 2057714201 PNAPWRXWMRNBAV-CMPLNLGQSA-N 271.338 -0.052 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCS(=O)(=O)CCO1 2090267869 LNCSMUDWJUGJKI-UHFFFAOYSA-N 287.293 -0.100 10 10 CBCE COc1cccc(O)c1[C@@H](C(N)=O)N1CCNCC1 2104436687 DNIQRXGEQOFNTM-LBPRGKRZSA-N 265.313 -0.168 10 10 CBCE COc1cc(N2CCOC[C@@H]2[C@@H](O)CO)ccc1CN 2204540173 UZRMAZAGSJWYAH-OLZOCXBDSA-N 282.340 -0.288 10 10 CBCE C[C@H](O)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1O 2234097714 POWWSDOXIYMZEF-QCZZGDTMSA-N 283.324 -0.260 10 10 CBCE COc1ccc(N2CC3(CNC(=O)CO3)C2)c(CN)c1 2289723772 BEOSBRVESPYJBD-UHFFFAOYSA-N 277.324 -0.141 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1ccc(O)c(O)c1 2332875456 NNDGWBUJPQJVBX-GMTAPVOTSA-N 269.253 -0.912 10 10 CBCE Cn1ncnc1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 127281489 JRWRJRDZWDSKKX-QMMMGPOBSA-N 277.284 -0.265 10 10 CBCE C[C@@H](N)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 132701743 ISZWXTJFPMHDSB-APPZFPTMSA-N 267.285 -0.319 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1 396864552 SWPWCDDJIRSBNT-ZWNOBZJWSA-N 280.324 -0.151 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912151551 ISTVAFUOWRADJM-QMMMGPOBSA-N 290.349 -0.459 10 10 CBCE O=C(NC[C@H]1COC[C@H]1O)c1cccc(O)c1O 2036580596 UMIFZYCIHSSVRU-OIBJUYFYSA-N 253.254 -0.165 10 10 CBCE Cn1cc([C@H](N)C(=O)C(=O)C[C@H]2C[C@H](N)C2)cn1 2049785114 WGPQUGPCAYSEIG-ARENWVFISA-N 250.302 -0.315 10 10 CBCE O=S1(=O)C[C@@H](NCc2ccc(O)cc2O)[C@@H](O)C1 2057716445 CQFGNAQLHIGUAH-KOLCDFICSA-N 273.310 -0.655 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2081037579 ZMMDXDJTTIVVDR-MHNYQROPSA-N 252.314 -0.391 10 10 CBCE O=S1(=O)C[C@@H]2[C@H](NCc3ccc(O)c(O)c3O)[C@@H]2C1 2118012213 GEJAQBYBOAXLCP-DIYOJNKTSA-N 285.321 -0.064 10 10 CBCE OC[C@@H]1C[C@H](NCc2cc(F)ccc2O)[C@@H](O)[C@@H]1O 2121476948 YJJMYYZMGCKWGM-LOHPEHISSA-N 271.288 -0.277 10 10 CBCE O=C(NC[C@@H]1COCCN1)c1cc(O)c(O)c(O)c1 2132399157 CRNGMEABXAOWPY-MRVPVSSYSA-N 268.269 -0.478 10 10 CBCE C[C@H](N)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1O 2146328075 CPNDLYCBSXJGEU-BHYNMZESSA-N 282.340 -0.030 10 10 CBCE Nc1ccc(OCC(=O)NC2(c3nn[nH]n3)CC2)cc1 2151065746 VYGMUPJNIAUONV-UHFFFAOYSA-N 274.284 -0.034 10 10 CBCE NC(=O)C1[C@@H]2CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@@H]12 2201310972 KPORANXNCINUKT-GHMZBOCLSA-N 295.364 -0.238 10 10 CBCE COc1ccc([C@@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c(O)c1 2354717304 NAPFMYVZDGQECQ-IXSIHGPPSA-N 283.324 -0.094 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1 3604447 ZLOQZKZKMHZNSD-ZJUUUORDSA-N 294.307 -0.038 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1ccc(O)cc1O 83397869 DKMCNTJTAQIOEA-JTQLQIEISA-N 254.242 -0.613 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(C(=O)O)CC1 167016631 MQHPICBQDNHYES-VIFPVBQESA-N 294.307 -0.051 10 10 CBCE CN(CCC(N)=O)C(=O)COc1ccc(N)cc1 381892885 SRSRIIVGWWDZHJ-UHFFFAOYSA-N 251.286 -0.019 10 10 CBCE C[C@H](NC(=O)CCOc1ccc(N)cc1)[C@@H](O)CO 698979571 UZSGKRCYFVVAME-CABZTGNLSA-N 268.313 -0.104 10 10 CBCE COc1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)c(O)c1 1321067403 PGBIXZBLHIDWEB-VIFPVBQESA-N 293.279 -0.385 10 10 CBCE CN1C[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H](O)C1 2029863923 MPWLCPZFLZDKEZ-GZMMTYOYSA-N 252.270 -0.498 10 10 CBCE CN(CCN)S(=O)(=O)N(C)Cc1ccccc1O 2042981860 ZLQTUJNMAHAITL-UHFFFAOYSA-N 273.358 -0.041 10 10 CBCE CN1C[C@H](Nc2c(N)cccc2C(N)=O)[C@H](O)C1 2046433055 LIRLIGAKARTIFG-VHSXEESVSA-N 250.302 -0.546 10 10 CBCE NC(=O)COC1CN(C(=O)Cc2ccc(N)cc2)C1 2089137929 QVUJLLZEWAXGPJ-UHFFFAOYSA-N 263.297 -0.476 10 10 CBCE COc1cccc(O)c1CN1CCNC[C@H]1C(N)=O 2104437633 JAYZJDLDUYSILY-JTQLQIEISA-N 265.313 -0.340 10 10 CBCE Nc1ccc(OCCC(=O)NCC[C@@H](N)C(=O)O)cc1 2191758360 QYWYDSCKPWITGZ-LLVKDONJSA-N 281.312 -0.044 10 10 CBCE Cc1cc(CO)ccc1N1CC[C@](O)(CO)[C@H](O)C1 2225730045 ZCZFXEPYCGUQDJ-KGLIPLIRSA-N 267.325 -0.218 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CO 2232100313 KOYXPXRIKMZZDH-NZPIUUIZSA-N 267.325 -0.049 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2329325849 JPEUEGCYIHEGCP-RJVLYZLMSA-N 265.265 -0.336 10 10 CBCE CC[C@@H](C(N)=O)N(CC(N)=O)Cc1ccc(N)cc1 61677760 DJEVEZODJIVTLJ-NSHDSACASA-N 264.329 -0.180 10 10 CBCE COC[C@H](N)C(=O)NCc1cccc(OC)c1O 83398152 GKSKSYNGEISCEB-VIFPVBQESA-N 254.286 -0.009 10 10 CBCE N[C@H](CC(=O)NCCc1ccc(O)c(O)c1)C(=O)O 83496835 VLMXXGSUEMPOSK-MRVPVSSYSA-N 268.269 -0.442 10 10 CBCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cn(CCO)nn1 90637909 LRCWIGSIUQXCHT-QMMMGPOBSA-N 269.265 -0.616 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1cccc(O)c1O 228515813 SZARJJFFQQZXNC-AEKGRLRDSA-N 264.281 -0.058 10 10 CBCE NS(=O)(=O)CCCNCc1ccc(O)c(O)c1O 236289036 WJEAEPGUQWIPAD-UHFFFAOYSA-N 276.314 -0.428 10 10 CBCE CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(O)nc(O)c2)C1 311513481 HUGUERLAOQVHCK-DTWKUNHWSA-N 268.269 -0.285 10 10 CBCE O=C(NCc1cnc(O)[nH]1)c1cc(O)nc(O)c1 379855728 MDKKFLUHVJLSMC-UHFFFAOYSA-N 250.214 -0.149 10 10 CBCE C[C@@]1(C(=O)O)CN(C(=O)c2cc(O)nc(O)c2)CCO1 711569543 KTRUCASKMDDTMQ-LBPRGKRZSA-N 282.252 -0.192 10 10 CBCE O=C1CCN(C(=O)c2cccc(O)c2O)C2(CN1)COC2 921800904 OKODNHBFDRQKCP-UHFFFAOYSA-N 292.291 -0.171 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](O)C3)c2n1 2063336765 YYYKOEXSRHUZMT-QMMMGPOBSA-N 262.269 -0.050 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1O 2089919722 OQSWLKLHRNQHBH-MWLCHTKSSA-N 266.297 -0.155 10 10 CBCE O=C(N[C@@H]1CCOC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132350165 LHZABFDLZADBBD-XCBNKYQSSA-N 269.253 -0.317 10 10 CBCE O=C(CN1C[C@H](O)[C@H]2COC[C@@H]21)c1ccc(O)c(O)c1 2158386131 IPVGOWMMZYBNOL-BHDSKKPTSA-N 279.292 -0.028 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)CC23CNC3)cc1 2191660606 XUABSBYHDLCSLF-NSHDSACASA-N 277.324 -0.417 10 10 CBCE Nc1ccc(OCC(=O)N2CCC[C@@](N)(CO)C2)cc1 2191713495 DLQKGZMUPFFLEX-AWEZNQCLSA-N 279.340 -0.040 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(C=O)c1 2289400804 DEHRSEVVNQGCGQ-DDTOSNHZSA-N 281.308 -0.342 10 10 CBCE CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459722 PJKDUMVAFIFXAT-VIFPVBQESA-N 281.312 -0.828 10 10 CBCE CN(CCC(N)=O)C[C@H](O)COc1ccc(N)cc1 381878442 DGAXIJMKHMBDIH-NSHDSACASA-N 267.329 -0.184 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(O)nc2=O)[C@@H](F)[C@H]1O 616586944 SNWCOSVWPQSOEU-YYWONIAYSA-N 287.207 -0.824 10 10 CBCE CNC[C@@H](O)CN(C)C(=O)c1ccc(O)c(O)c1 708829208 WGUXYDQBKOKBQU-SECBINFHSA-N 254.286 -0.250 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CNCC[C@@H]1CO 1876502683 VLSLAOYKBXWLHT-LDYMZIIASA-N 264.329 -0.250 10 10 CBCE C[C@H](NC(=O)[C@H](N)CC(N)=O)c1ccccc1O 2072489482 HNXYIVGZHWRZMM-IONNQARKSA-N 251.286 -0.228 10 10 CBCE NC1(C(=O)O)CC(NC(=O)c2cc(O)nc(O)c2)C1 2094869334 CXCVLTITCAPXPQ-UHFFFAOYSA-N 267.241 -0.833 10 10 CBCE COC(=O)[C@@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2159006975 WXHMPFVQZGLLPJ-ZCFIWIBFSA-N 284.224 -0.761 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@@H](C(=O)O)CO1 2165806105 WKNWUDIBYCVDGO-POYBYMJQSA-N 282.252 -0.193 10 10 CBCE Nc1ccc(CCN2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166790615 IVGXGYLDJFFVIA-TXEJJXNPSA-N 274.324 -0.890 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)ccc1CO 2205592495 XDNFAEOTGMWDFP-SRVKXCTJSA-N 286.259 -0.033 10 10 CBCE CC(=O)N[C@@H](CSc1ncc(C(N)=O)s1)C(=O)O 2218532806 WJQYNPNWUQWFPS-YFKPBYRVSA-N 289.338 -0.077 10 10 CBCE NC(=O)[C@@H]1C[C@@H]1C(=O)NCCOc1ccc(N)cc1 2268352046 IANFFQDMSJWGEJ-MNOVXSKESA-N 263.297 -0.115 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@@H](O)CC1 2269157710 JRFWAHBWVRGBBK-IUCAKERBSA-N 268.269 -0.549 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCNC(=O)C2)cc1 36669935 NMICRMBGNJGDPL-NSHDSACASA-N 265.313 -0.560 10 10 CBCE COc1cccc([C@H](N)C(=O)NC[C@H](C)O)c1O 83398274 KEAYXGPOWWSWDG-XVKPBYJWSA-N 254.286 -0.102 10 10 CBCE CC(=O)N[C@@H](CS(N)(=O)=O)c1ccccc1O 204816490 GDGGPARMIIEJAN-VIFPVBQESA-N 258.299 -0.142 10 10 CBCE Cn1cc(CN(CC(N)=O)Cc2ccc(N)cc2)nn1 236100003 FGRKEKMHLHDCAU-UHFFFAOYSA-N 274.328 -0.115 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1 316010216 ABOLSWKFPXLRAA-JQWIXIFHSA-N 250.298 -0.377 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c1 386941959 HNAOEHQBDMRTKU-UWVGGRQHSA-N 261.281 -0.321 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)C[C@@H](O)C1 1149240796 DEBWHWFAIDYDHJ-AOOOYVTPSA-N 267.281 -0.406 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)C1CS(=O)(=O)C1 1566369660 PMWLNBUXXFOJRP-UHFFFAOYSA-N 285.321 -0.199 10 10 CBCE N[C@H]1C[C@@H](O)CN(C(=O)c2ccc(O)c(O)c2)C1 2049113602 LFOYOTBOPHCFSQ-DTWKUNHWSA-N 252.270 -0.368 10 10 CBCE O=C(NN1CCNCC1)c1cc(O)c(O)c(O)c1 2068623233 FBSIQSQEHBLSHD-UHFFFAOYSA-N 253.258 -0.647 10 10 CBCE O=C(NC[C@@H]1CCNC1=O)c1ccc(O)c(O)c1 2075993780 HDCOTQZMBYOAHA-QMMMGPOBSA-N 250.254 -0.036 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2C[C@H]2CO)cc1 2101298165 JKLIPEOMMXJFJZ-JOYOIKCWSA-N 286.353 -0.052 10 10 CBCE N[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1CO 2122372860 BADNAYVITPRQHJ-CBAPKCEASA-N 267.285 -0.726 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCN(C=O)CC2)cc1 2162932000 KDXPCNNMCZJXBQ-CYBMUJFWSA-N 279.340 -0.218 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](C(CO)CO)C1 2170673090 GUXKZKHHRJDDIK-MRVPVSSYSA-N 282.296 -0.444 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@H]1[C@H](O)[C@H](O)C2 2190187507 FVQKKADVEZXAOT-UOKLYIGXSA-N 280.280 -0.409 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](N)[C@H](CO)C2)cc1 2191719555 LSPRQVTXXQGCLY-GXFFZTMASA-N 279.340 -0.184 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2260758385 FHBCYOHOVFDEDQ-WXHSDQCUSA-N 253.298 -0.671 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2354482615 LFTFKCFBIAYEER-XBEUXYKBSA-N 278.308 -0.400 10 10 CBCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1=O 84197535 ACJBLEGYVKIOIQ-UHFFFAOYSA-N 283.353 -0.127 10 10 CBCE NC(=O)NS(=O)(=O)CCOc1ccc(N)cc1 158779057 CFOKIUDKOATBIY-UHFFFAOYSA-N 259.287 -0.354 10 10 CBCE CN1C(=O)C[C@H](NC(=O)c2ccc(O)c(O)c2)C1=O 234323896 RDGVJGKXBLWRKY-ZETCQYMHSA-N 264.237 -0.415 10 10 CBCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H](O)CO 698962505 SVSVNFKJDZCRQI-KWQFWETISA-N 274.342 -0.570 10 10 CBCE COC(=O)[C@@H](O)CCNC(=O)Cc1ccc(O)c(O)c1 1472433811 DOCKQGGEKYGPIF-JTQLQIEISA-N 283.280 -0.320 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2CNC[C@H]2O)cc1 1876519000 IPQNBNQIJJLTJL-JOYOIKCWSA-N 265.313 -0.656 10 10 CBCE [N-]=[N+]=NC1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 1912191735 VPDDAJDHCLLSRF-ZETCQYMHSA-N 266.261 -0.114 10 10 CBCE COC[C@](C)(O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348636 PPGUXPCHFCSHKK-GFCCVEGCSA-N 271.269 -0.069 10 10 CBCE NC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2132418557 LJTWDWRCPXDUGO-MRVPVSSYSA-N 268.269 -0.397 10 10 CBCE O=C1N[C@@H]2CN(c3ccc(CO)cc3Cl)C[C@H]2NC1=O 2166791226 QIMHJHHAQJIRMW-NXEZZACHSA-N 295.726 -0.365 10 10 CBCE O=C(O)C1=C[C@H](O)[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2188069215 ZASFWQVFARLCHF-SCZZXKLOSA-N 279.248 -0.028 10 10 CBCE NC[C@H]1C[C@@H](O)CN1C(=O)CCOc1ccc(N)cc1 2191886476 AMVANLGVTRIXHR-VXGBXAGGSA-N 279.340 -0.042 10 10 CBCE Nc1ccc(CCCN2CC[C@](O)(CO)[C@H](O)C2)cc1 2234101265 QJIBHJNXZWWSEO-CABCVRRESA-N 280.368 -0.009 10 10 CBCE Cc1ccc(CNCC2(O)CS(=O)(=O)C2)c(O)c1 2256069831 QYPYNXAQOMJIOX-UHFFFAOYSA-N 271.338 -0.050 10 10 CBCE C[C@@H](NS(=O)(=O)C[C@@H](N)C(=O)O)c1ccccc1O 2270505800 LBWGDMUAXBHMOV-VXNVDRBHSA-N 288.325 -0.216 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)[C@@H](O)[C@@H]1CF 2333231978 KFAATIUUPQSYJQ-NMLBEHRDSA-N 271.244 -0.387 10 10 CBCE C[C@H](O)[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 83398192 CEJRTYMBARSGLU-WRWORJQWSA-N 254.286 -0.535 10 10 CBCE CCc1c(O)cc2c(c1O)=C(O)C(=O)C(=O)C=2O 137425916 LZPOHOLJSVDDBR-UHFFFAOYSA-N 250.206 -0.856 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@H](O)C2)cc1 227196808 VOXVOYSDGMEGSD-PHIMTYICSA-N 252.270 -0.788 10 10 CBCE CN1CCN(CC(=O)Nc2ccc(N)cc2)S1(=O)=O 387962780 RJZHFUNTFHRVOH-UHFFFAOYSA-N 284.341 -0.301 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@@H](O)C1 720916171 RIYAWPVKOXAMPJ-AXFHLTTASA-N 280.324 -0.145 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)[C@@H](CO)C1 1148582245 HBMHGAKHIVCKLR-BDAKNGLRSA-N 283.280 -0.381 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COCC[C@@H]2N)cc1 1876448628 GWCIRPXUAPWPSS-RYUDHWBXSA-N 265.313 -0.120 10 10 CBCE O=C1Nc2cc(N3CCC3(CO)CO)ccc2[C@@H]1O 1879987028 OXFVVPKYJXLWAF-NSHDSACASA-N 264.281 -0.394 10 10 CBCE C[C@H](CS(N)(=O)=O)NCc1ccc(O)c(O)c1 1947446655 QPWUGZLVJHOBGN-SSDOTTSWSA-N 260.315 -0.136 10 10 CBCE NS(=O)(=O)NCCNCc1cc(F)cc(F)c1O 2039825859 AVJDZBZKVBGPLE-UHFFFAOYSA-N 281.284 -0.447 10 10 CBCE CC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2068578679 UBCPCGLPYILVCJ-LURJTMIESA-N 254.242 -0.203 10 10 CBCE NC1(C(=O)O)CC(NC(=O)c2cccc(O)c2O)C1 2094870294 SYJAQMVVLRTGCJ-UHFFFAOYSA-N 266.253 -0.228 10 10 CBCE C[C@@](O)(CCO)CNS(=O)(=O)Cc1ccc(N)cc1 2107438574 MZSCFBXUFRWBLK-GFCCVEGCSA-N 288.369 -0.178 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1COC[C@@H]1N 2132419092 PTYGCUVOSYQVJB-JGVFFNPUSA-N 268.269 -0.399 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1Cc1c(O)cccc1F 2136101282 KFCAYPHKTAVOPL-GARJFASQSA-N 271.244 -0.478 10 10 CBCE NCC[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188915630 JSFJMBXJHLAYIN-VIFPVBQESA-N 282.296 -0.007 10 10 CBCE COCCNC(=O)CN(C)CC(=O)c1ccc(O)c(O)c1 49934165 NCSHBLXVVRLOPF-UHFFFAOYSA-N 296.323 -0.025 10 10 CBCE COc1ccc([C@H](N)C(=O)NC[C@H](C)O)c(O)c1 83398369 NENBPXZEEZTRGX-CPCISQLKSA-N 254.286 -0.102 10 10 CBCE CNC(=O)[C@@H]1CNCCN1C(=O)c1cccc(O)c1O 126691706 JKZXZEGHDZXSHQ-VIFPVBQESA-N 279.296 -0.742 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc(/C=C\C(=O)O)cc1F 213066760 MNVZLBULCWFIRX-RQOWECAXSA-N 295.270 -0.300 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)n1cn[nH]c1=O 230391535 FXWLDUCKCKAULY-ZETCQYMHSA-N 265.225 -0.149 10 10 CBCE O=C1CN(c2ccc3c(c2)OCCO3)C[C@H](CO)N1 259395962 XFWPNGSVBGVJDV-SECBINFHSA-N 264.281 -0.245 10 10 CBCE CS(=O)(=O)NC1CN(C(=O)CCc2ccc(N)cc2)C1 705753304 CAURJIPLGWGUJP-UHFFFAOYSA-N 297.380 -0.039 10 10 CBCE CN(C)C[C@@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 708529290 VWWQLEYDARJSAQ-ZWNOBZJWSA-N 278.356 -0.003 10 10 CBCE COCC(=O)N(C)CC(=O)NCc1cc(O)ccc1O 1643881836 HPYCOCJGEDMPCM-UHFFFAOYSA-N 282.296 -0.181 10 10 CBCE CC1(C)OC[C@H](NC(=O)c2cc(O)nc(O)c2)[C@H]1O 1910829609 SPCAHGCSZHAIMX-OIBJUYFYSA-N 268.269 -0.239 10 10 CBCE COc1ccc([C@@H](C)NCC(O)(CO)CO)c(O)c1 1913787133 WHRLZAGNBFLKMU-SECBINFHSA-N 271.313 -0.233 10 10 CBCE O=C(c1ccc(O)c(O)c1)N(CCO)C1COC1 1915678542 GZHNHQWSXLKYHF-UHFFFAOYSA-N 253.254 -0.069 10 10 CBCE O=C1C[C@@H](c2cc(O)c(O)c(O)c2)[C@H](C(=O)O)C(=O)N1 1951736668 SASVCIRMTOPBNA-CDUCUWFYSA-N 281.220 -0.366 10 10 CBCE C[C@@](N)(CO)CNC(=O)COc1ccc(N)cc1 2071710065 WXHSEXOCIDYMJN-LBPRGKRZSA-N 253.302 -0.527 10 10 CBCE COC[C@H](NC(=O)CCOc1ccc(N)cc1)C(N)=O 2152362996 ADWOMOPNNRDPIR-NSHDSACASA-N 281.312 -0.346 10 10 CBCE COC1(C(N)=O)CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188571845 KFFYMSALRZWBHL-UHFFFAOYSA-N 281.268 -0.222 10 10 CBCE N=c1nnc(OC[C@]23CCCN[C@@H]2CCC3)n[nH]1 2219017037 IOKWUUNIEHRUGX-KCJUWKMLSA-N 250.306 -0.020 10 10 CBCE N[C@@H]1C[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CO[C@H]1C2 2254848963 OWODXJXWHMBFRC-FLKTUXNNSA-N 252.314 -0.242 10 10 CBCE NS(=O)(=O)c1ncc[nH]c1=NCc1ccccc1O 2270934453 HNGOSXIVBNXNJN-UHFFFAOYSA-N 280.309 -0.136 10 10 CBCE CO[C@@H]1[C@@H](N)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2271152818 TTYHIWDMTZGPTJ-MVKOHCKWSA-N 268.269 -0.352 10 10 CBCE COc1cc(C(=O)NC2CNCCNC2)cc(OC)n1 2287598344 FUHJDTFMVQIYNQ-UHFFFAOYSA-N 280.328 -0.610 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2329326646 QTAQWLFZDVWXKQ-DTCNJJKHSA-N 262.309 -0.236 10 10 CBCE C[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459819 XDKYEPSOBPTWNA-APPZFPTMSA-N 254.286 -0.535 10 10 CBCE CCC(CO)(CO)NC(=O)COc1ccc(N)cc1 232979466 LXMCTQOOBBXQAV-UHFFFAOYSA-N 268.313 -0.103 10 10 CBCE O=C1CC[C@H](NCc2ccc(O)c(O)c2O)C(=O)N1 236591506 HFZMETBEMZIBTR-ZETCQYMHSA-N 266.253 -0.302 10 10 CBCE COC(=O)C1(O)CN(C(=O)COc2ccc(N)cc2)C1 714408730 DELWJHPXZBEWNO-UHFFFAOYSA-N 280.280 -0.606 10 10 CBCE CN[C@H](c1ccccc1O)C1(O)CS(=O)(=O)C1 1943689888 IMHITCXQBKIXME-SNVBAGLBSA-N 257.311 -0.188 10 10 CBCE CO[C@H]1CCNC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2063976327 YBMGEXWVXQSRRW-BFLSOPEQSA-N 254.330 -0.124 10 10 CBCE CN(C)[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H]1O 2089923933 RTESJPCCIVOWQQ-STQMWFEESA-N 263.341 -0.055 10 10 CBCE COc1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@H]2O)c1 2121363689 JLUXSMXOMNQWJK-CMPLNLGQSA-N 287.337 -0.352 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H]4COC[C@@H]43)ccc21 2158409574 ONPWKJKXOGRBAE-BQUFFADESA-N 275.308 -0.166 10 10 CBCE COC[C@](O)(CO)CNCc1cc2c(cc1O)OCO2 2158618935 QPHNIGUQLPZARW-CYBMUJFWSA-N 285.296 -0.420 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(O)c1 2177946413 YQOVXHRNGHKEGG-IMJCEVDSSA-N 283.324 -0.407 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@@H](C)N)c(O)c1 2234064142 GAUJLUNSPWJWQE-GFCLTOETSA-N 282.340 -0.031 10 10 CBCE NC(=O)CN(CCc1ccc(N)cc1)CC(N)=O 61804501 ZLLHTCKZYOEJNX-UHFFFAOYSA-N 250.302 -0.916 10 10 CBCE CNCCCNC(=O)[C@@H](N)c1cccc(O)c1O 83395682 PNDXADCOSKBJJY-JTQLQIEISA-N 253.302 -0.177 10 10 CBCE NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 216599977 FZCVHZCDJWBJOH-QWRGUYRKSA-N 299.352 -0.981 10 10 CBCE NC(=O)C[S@@](=O)CC(=O)Nc1ccc(N)cc1 302268689 DNCWNMHKPPVWTR-QGZVFWFLSA-N 255.299 -0.559 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 395430129 MVEBDCVBQGWOEU-HTQZYQBOSA-N 254.242 -0.676 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@@H]2CO)cc1 704737161 QGYDRXROHGCHGK-NEPJUHHUSA-N 286.353 -0.474 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N(C)[C@H]3COC[C@@H]3O)cc21 708719485 GZLPMGGWRMTWMR-RWMBFGLXSA-N 278.308 -0.108 10 10 CBCE O=C1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCN1 1329391427 GSEKQVWYCWPNMW-UHFFFAOYSA-N 289.291 -0.807 10 10 CBCE CN(CCCN=[N+]=[N-])S(=O)(=O)C1CS(=O)(=O)C1 1912149068 AYTLIBSELXZCBW-UHFFFAOYSA-N 282.347 -0.255 10 10 CBCE NS(=O)(=O)NCCNCc1cccc(F)c1O 1995942650 QGOUXJAKJQZSNX-UHFFFAOYSA-N 263.294 -0.586 10 10 CBCE CS(=O)(=O)N1CC(NCc2ccc(O)c(O)c2O)C1 2089190268 KPDCYDYUAAWVRQ-UHFFFAOYSA-N 288.325 -0.463 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NC(=O)c1cccc(O)c1O 2117487647 ZENNEYRKMNVWRN-GMSGAONNSA-N 266.253 -0.530 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CNC(=O)O2)cc1 2129936238 VABHBWPTDCBFEC-JTQLQIEISA-N 285.325 -0.203 10 10 CBCE CN(C)[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1O 2146156981 NOWIQVPTTKDLNZ-IINYFYTJSA-N 280.324 -0.113 10 10 CBCE C[C@H](CS(N)(=O)=O)NC(=O)[C@@H]1CNc2ccccc2N1 2152961852 SBGKEJDDPYSUCQ-KCJUWKMLSA-N 298.368 -0.314 10 10 CBCE C[C@H](NC(=O)[C@]1(O)CCNC[C@H]1O)c1ccccc1O 2197488090 JSDOZSMWFNRXEN-BHYNMZESSA-N 280.324 -0.345 10 10 CBCE O=C1c2ccccc2C(=O)[C@H]2[C@H]1NCCS2(=O)=O 105656882 AMLSULXNBKGZFV-JOYOIKCWSA-N 265.290 -0.179 10 10 CBCE NC(=O)[C@H]1COCCN1C[C@H](O)COc1ccc(N)cc1 158829490 QBHDAQPEQKJCMC-WCQYABFASA-N 295.339 -0.805 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)[C@H](O)C2)cc1 300138282 MWXZIPSZSBCPOM-RAIGVLPGSA-N 268.313 -0.954 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2OCCN[C@@H]2C1 404087098 RSVRFUFWXIQSRN-NXEZZACHSA-N 279.296 -0.304 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H]2CNC[C@@H]21 686546756 WMAOCYJBFDKEMX-DTWKUNHWSA-N 265.269 -0.694 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H]1CN=[N+]=[N-] 692828465 ZEACOKCTKMWIGJ-QMMMGPOBSA-N 290.349 -0.316 10 10 CBCE NCc1ccc(N2CCN(CC(N)=O)CC2)cc1F 700772609 FRGMNMXREKYCFI-UHFFFAOYSA-N 266.320 -0.108 10 10 CBCE CO[C@](C)(CO)CNC(=O)c1cc(O)nc(O)c1 702538605 XFHWGESLBLOKHU-NSHDSACASA-N 256.258 -0.380 10 10 CBCE C[C@@]1(CO)CNCCN1C(=O)c1cccc(O)c1O 719181955 WHAKJIPGSBGRHZ-ZDUSSCGKSA-N 266.297 -0.106 10 10 CBCE CC(=O)C(=O)COC(=O)COc1ccc(C(N)=O)cc1 808508484 CPYHUJGXZYVXRR-UHFFFAOYSA-N 279.248 -0.134 10 10 CBCE CS(=O)(=O)N1CC(NC(=O)Cc2ccc(N)cc2)C1 1220145813 REXCGBGQXYCGGF-UHFFFAOYSA-N 283.353 -0.429 10 10 CBCE NC(=O)[C@@H]1CNCCN1C(=O)Cc1ccc(N)cc1 1876482213 IFJJKEOETKKQON-NSHDSACASA-N 262.313 -0.903 10 10 CBCE Nc1ccc(CC(=O)N2CC(CS(N)(=O)=O)C2)cc1 1880189475 XGVFEEGEROIXMK-UHFFFAOYSA-N 283.353 -0.442 10 10 CBCE Cn1ncc(S(=O)(=O)NCCc2ccc(N)cc2)n1 2088149558 UKVSHPVLAPTTAJ-UHFFFAOYSA-N 281.341 -0.082 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@H](O)C3)ccc2[C@H]1O 2132171786 HCDAHNWVCGMRBY-QJPTWQEYSA-N 264.281 -0.396 10 10 CBCE Nc1ccc(OCC(=O)NCC2(CCO)CNC2)cc1 2191712712 UFCBVXKVAACBIS-UHFFFAOYSA-N 279.340 -0.264 10 10 CBCE OCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2218686469 WKHPTZWBKKDULE-STQMWFEESA-N 253.298 -0.527 10 10 CBCE N=c1nnc(OC[C@@H]2C[C@@H]3CCCC[C@H]3N2)n[nH]1 2223872803 BJELJOSXTBXOJY-XHNCKOQMSA-N 250.306 -0.021 10 10 CBCE COc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(CN)c1 2235974606 YSAKKMXMXLFUEN-KGLIPLIRSA-N 282.340 -0.288 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2329332223 JPEUEGCYIHEGCP-OSTYVCCYSA-N 265.265 -0.336 10 10 CBCE CN1C(=O)C(=O)N(CC(=O)Nc2ccc(N)cc2)C1=O 20295481 CRTGKOQVTDVVSR-UHFFFAOYSA-N 276.252 -0.372 10 10 CBCE COC(=O)[C@]1(O)CCN(C(=O)c2c(F)ccc(O)c2O)C1 1648994443 OVOPSGLYFXULPZ-ZDUSSCGKSA-N 299.254 -0.013 10 10 CBCE O=C(NC1(C(=O)O)COC1)c1cccc(O)c1O 2035956263 RDUZWMUNWHCDIQ-UHFFFAOYSA-N 253.210 -0.319 10 10 CBCE Oc1cc2c(cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)OCO2 2165123588 PAMWFWJIUZZKAV-SKELABPMSA-N 283.280 -0.935 10 10 CBCE COc1cc(C(=O)N[C@@H]2CNCCOC2)cc(OC)n1 2166940518 KPVFKHBRQVWHEE-SNVBAGLBSA-N 281.312 -0.183 10 10 CBCE C[C@@H](O)c1cc(F)c(N(CC(N)=O)CC(N)=O)c(F)c1 2194509307 HGSYNDDWZNEWAE-ZCFIWIBFSA-N 287.266 -0.205 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2289409968 YRUJSOFWHHGOPT-SNPRPXQTSA-N 280.368 -0.054 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1O 2332916958 XNYUOBIBPNXKCZ-ACRHEEIPSA-N 269.297 -0.652 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC(O)CC1 40458576 GWJDMMGBSJGVNK-NSHDSACASA-N 280.324 -0.049 10 10 CBCE Cc1ccc([C@H](N)C(=O)NC[C@H](O)CO)c(O)c1 83398399 CBCNYPMROKQAKV-KWQFWETISA-N 254.286 -0.830 10 10 CBCE O=C([C@H]1CNc2ccccc2N1)N(CCO)CCO 229878072 KTASHYMHIGURFE-GFCCVEGCSA-N 265.313 -0.294 10 10 CBCE Cn1nnc(CN(CC(N)=O)Cc2ccc(N)cc2)n1 236124851 RTJRVKVXGBOILG-UHFFFAOYSA-N 275.316 -0.720 10 10 CBCE CN(CCC(=O)Nc1ccc(N)cc1)C(CO)CO 311884209 NPAKRXQFQOHPBH-UHFFFAOYSA-N 267.329 -0.118 10 10 CBCE O=C(CN1CC[C@H](O)[C@@H](CO)C1)c1ccc(O)c(O)c1 396848364 JBJISEATXIFOEF-MNOVXSKESA-N 281.308 -0.044 10 10 CBCE COC(=O)C1(O)CN(C(=O)CCc2ccc(N)cc2)C1 714410707 QLTKBAPTDDYAOB-UHFFFAOYSA-N 278.308 -0.052 10 10 CBCE CN1C[C@H](C(=O)NCc2ccc(O)c(O)c2)NC1=O 830559306 MIXOXIUNEPGJIE-MRVPVSSYSA-N 265.269 -0.262 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)[C@@H](CO)C1 1148582248 HBMHGAKHIVCKLR-RKDXNWHRSA-N 283.280 -0.381 10 10 CBCE O=C1CC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)N1 1148589967 STIGDAJWRWXMTP-ZETCQYMHSA-N 266.253 -0.188 10 10 CBCE NCCC(CCN)Nc1c(N)cccc1C(N)=O 2084900727 YFKDOFQQDXMEKI-UHFFFAOYSA-N 251.334 -0.154 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)C[C@@H](O)C2)cc1 2105114455 VWHAZCBYVFRAJU-VXGBXAGGSA-N 265.313 -0.365 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O)c1ccc(O)c(O)c1 2166419100 QWQVOBFLBJKWJM-QOAGTBBCSA-N 279.292 -0.042 10 10 CBCE O=C(N[C@H]1COC[C@@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2188868187 NHFRLJPZARZGOG-BQBZGAKWSA-N 283.236 -0.367 10 10 CBCE NC(=S)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188914283 ZNFVXGLOXNTTQN-SECBINFHSA-N 298.320 -0.070 10 10 CBCE N=c1nnc(OC[C@@]23CCC[C@@H](CNC2)C3)n[nH]1 2219017977 AQKWDKSTZCVNHD-LDYMZIIASA-N 250.306 -0.162 10 10 CBCE C[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2279170190 AJRAQQMHGOWHIS-CBAPKCEASA-N 283.280 -0.162 10 10 CBCE NC[C@@H](O)CC(=O)N1CCc2cc(O)c(O)cc2C1 2341202609 UXLBBVLFQOLDIJ-JTQLQIEISA-N 266.297 -0.308 10 10 CBCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)c1nnn[nH]1 44932456 AVBRJHMANABZGK-XPUUQOCRSA-N 292.299 -0.642 10 10 CBCE CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(N)cc1 311456760 DSTCXIYKMFLCRE-UHFFFAOYSA-N 286.357 -0.055 10 10 CBCE C[C@@H](O)[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 387716665 ZYRRTDRVXBEOSG-LDYMZIIASA-N 274.342 -0.570 10 10 CBCE COc1ccc(O)c(CN2CCOC[C@@]2(CN)CO)c1 693977960 KYOFSFWEVBPNSA-CQSZACIVSA-N 282.340 -0.077 10 10 CBCE CCOc1cccc(CNC(C(N)=O)C(N)=O)c1O 695277784 SWKXPLLCOABOJP-UHFFFAOYSA-N 267.285 -0.780 10 10 CBCE CC(=O)C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O 808494741 HRRWIMOWUKQQHP-UHFFFAOYSA-N 296.279 -0.448 10 10 CBCE NC(=O)NCCC(=O)NCc1cc(O)ccc1O 1455348438 MTJGRARMWSKQLI-UHFFFAOYSA-N 253.258 -0.228 10 10 CBCE Cn1cc(C(=O)NCc2cc(O)ccc2O)c(O)nc1=O 1455356065 GVSCBBPEPCDWNB-UHFFFAOYSA-N 291.263 -0.173 10 10 CBCE CCOC(=O)[C-]1S[C@H](C(=O)OCC)C(=O)C1=O 1615945066 JORRCDHJDYUJCJ-ZETCQYMHSA-N 259.259 -0.102 10 10 CBCE COC(=O)[C@@H](N)CC(=O)NCCc1ccc(O)c(O)c1 1913930035 ORTWDINXOCQSDO-VIFPVBQESA-N 282.296 -0.353 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@H](O)C1 2027486076 XVOGBWJYGDYYRJ-PHIMTYICSA-N 253.254 -0.796 10 10 CBCE NC(=O)NC1CN(C(=O)c2ccc(O)c(O)c2)C1 2044811606 AXQXIYPVSNJLHI-UHFFFAOYSA-N 251.242 -0.410 10 10 CBCE Oc1cc(F)ccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2084168307 LDAGIQMYUBIIEX-NUGNTBJXSA-N 257.261 -0.524 10 10 CBCE O[C@H]1[C@H](O)C[C@H](NCc2ccc3c(c2)CCO3)[C@H]1O 2108830044 HFZIXIMPTYKQLI-UNJBNNCHSA-N 265.309 -0.434 10 10 CBCE Nc1ccc(CN2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)cc1 2110484255 OGYDBVGYLJRDOL-QWRGUYRKSA-N 260.297 -0.932 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC(O)(CO)C3)ccc21 2115314953 WLIXDWNUUYJILC-LLVKDONJSA-N 263.297 -0.557 10 10 CBCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)N1CCOCC1=O 2144962763 XDXDPZZKRBNPSJ-SECBINFHSA-N 281.264 -0.048 10 10 CBCE NCc1cc(F)c(N2CCOC[C@H]2[C@H](O)CO)c(F)c1 2146328181 DJQDIQSJGFGLSJ-NWDGAFQWSA-N 288.294 -0.018 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1c(O)cccc1F 2160779026 YPMDYSUCJBFCLP-UHFFFAOYSA-N 283.303 -0.175 10 10 CBCE C[C@@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1O 2184140298 JPSZBWBMKJZCRZ-RDDDGLTNSA-N 278.312 -0.798 10 10 CBCE C[C@@H](NC(=O)[C@@H](N)C1CS(=O)(=O)C1)c1ccccc1O 2197522183 DJPQQAMITROTEV-PELKAZGASA-N 298.364 -0.059 10 10 CBCE N[C@H]1CCCc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CO)ccc21 2201037665 PKRNUKHREHBIMY-ZQDZILKHSA-N 278.352 -0.075 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 89751104 KFUAGAZLQSAFCL-LLVKDONJSA-N 291.307 -0.041 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCOC[C@@H]3CO)cc21 168243940 RXBZENNTJVVARG-GXFFZTMASA-N 277.324 -0.140 10 10 CBCE CN(C[C@@H](O)CO)c1ccc2c(c1)CC(=O)N2C 259039936 PFHIDJSCHKRPOZ-LLVKDONJSA-N 250.298 -0.005 10 10 CBCE O=C1NC(=O)[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]12 388129626 SHKZDBGHGJIROL-OCAPTIKFSA-N 276.248 -0.558 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN2C[C@@H](O)C[C@@H]2C1 405302310 JDFFDQQZGBCEQB-ZJUUUORDSA-N 278.308 -0.011 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C(=O)O 690086159 CRWJEMVTWMNIQZ-SFYZADRCSA-N 282.252 -0.336 10 10 CBCE O=C(N[C@@H](CO)CN1CCOCC1)c1cccc(O)c1O 820015942 OKHOEUXVAKNGRW-SNVBAGLBSA-N 296.323 -0.479 10 10 CBCE COC(=O)[C@](C)(NCCN=[N+]=[N-])C1CS(=O)(=O)C1 1912164766 CPXOQQNWIZVWNP-SECBINFHSA-N 276.318 -0.137 10 10 CBCE Nc1cc(O)ccc1NS(=O)(=O)N1CC[C@@H](O)C1 1914163126 MZKQHXUGQIAKOO-MRVPVSSYSA-N 273.314 -0.302 10 10 CBCE C[C@H](CS(N)(=O)=O)NCc1ccc(O)cc1O 1947446449 PPEYOKMHFKAOOH-SSDOTTSWSA-N 260.315 -0.136 10 10 CBCE CN(C)Cc1cc([C@@H](N)[C@H](O)C(=O)O)ccc1O 1952508645 IWJNFCYGLALPJC-MNOVXSKESA-N 254.286 -0.101 10 10 CBCE N[C@@H]1CCO[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2091751193 JGEIDQCVPMKUPF-BXKDBHETSA-N 266.297 -0.127 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1[C@@H](O)CO 2179735348 FFLFEOBVZFWHPE-MFKMUULPSA-N 281.308 -0.016 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)Nc1ccc(N)cc1 2233874573 XTEOAXWLHIPXAT-WOPDTQHZSA-N 281.312 -0.147 10 10 CBCE COc1cccc(CNC(=O)[C@H](N)[C@H](C)O)c1O 83398200 LBXZJLBONAVHEA-OIBJUYFYSA-N 254.286 -0.275 10 10 CBCE CN1CCN(C[C@@H](O)COc2ccc(N)cc2)CC1=O 84198040 NAHYWNNRQVXADT-GFCCVEGCSA-N 279.340 -0.218 10 10 CBCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCCS(=O)(=O)C1 90260391 SCROFRQQLSOBCR-VIFPVBQESA-N 275.334 -0.291 10 10 CBCE O=C(O)[C@H]1C[C@H](O)CN1C(=O)c1cccc(O)c1O 125986817 QWIUAOXYUKNWCS-POYBYMJQSA-N 267.237 -0.242 10 10 CBCE NC(=O)CN(C(=O)c1cccc(O)c1O)C1CCNCC1 126655892 YLVHCBVDODOMSJ-UHFFFAOYSA-N 293.323 -0.223 10 10 CBCE O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc(O)c(O)c(O)c1 1148589606 DNURVTRNZAXIHZ-SSDOTTSWSA-N 285.277 -0.156 10 10 CBCE O=C(/C=C/c1ccc(O)c(O)c1)NCCn1cnnn1 1588188545 HJFLRQMGPMGVQL-DUXPYHPUSA-N 275.268 -0.086 10 10 CBCE Nc1ccc(OCC(=O)N2CCNC[C@@H]2CO)cc1 1876478513 XFNUFBJBCWSOQS-LLVKDONJSA-N 265.313 -0.560 10 10 CBCE CNC1CN(S(=O)(=O)Nc2ccc(O)cc2)C1 1996872915 MVYJHVCTETVEFN-UHFFFAOYSA-N 257.315 -0.048 10 10 CBCE NC[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 2016965814 FFAGSBKYELLJAY-JTQLQIEISA-N 259.331 -0.992 10 10 CBCE C[C@@H](NCCNS(N)(=O)=O)c1cc(F)ccc1O 2039801867 QQCODOPRLDBCKM-SSDOTTSWSA-N 277.321 -0.025 10 10 CBCE COC[C@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 2099403478 UNGBUPUPFCWCOH-GFCCVEGCSA-N 267.329 -0.437 10 10 CBCE N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@@H]2COC[C@H]12 2102180156 HIXNTGFCDKXFLJ-OPRDCNLKSA-N 264.281 -0.104 10 10 CBCE C[C@@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2127699363 JGVAEEKUCDNKDL-LDYMZIIASA-N 262.313 -0.504 10 10 CBCE CN(C)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C[C@@H]1O 2146159435 UTPTXDNJFSEXKW-AGIUHOORSA-N 277.324 -0.217 10 10 CBCE Cn1nnnc1CCNC(=O)c1cc(O)c(O)c(O)c1 2188914480 ASLQTCXDMYQIII-UHFFFAOYSA-N 279.256 -0.701 10 10 CBCE N=c1nnc(OC[C@H]2CNCCC23CCC3)n[nH]1 2219013158 PCLKXTDLXNOBOC-MRVPVSSYSA-N 250.306 -0.162 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1[C@H](C)N 2269661268 DSYTVCNMNLXCNF-NZPIUUIZSA-N 266.341 -0.083 10 10 CBCE CCN(CCN=[N+]=[N-])S(=O)(=O)C1CS(=O)(=O)C1 2300526017 NALPBYVTWGBXSD-UHFFFAOYSA-N 282.347 -0.255 10 10 CBCE NC(=O)CN(C(=O)c1cccc(O)c1O)[C@@H]1CCCNC1 126099734 POPLYCFODOHRHM-SECBINFHSA-N 293.323 -0.223 10 10 CBCE C[C@@H](O)CN(CCO)C(=O)c1ccc(O)c(O)c1 311195647 GCSGWBGDKPRQNZ-MRVPVSSYSA-N 255.270 -0.087 10 10 CBCE C[C@](CO)(NC(=O)Cc1ccc(N)cc1)C(=O)O 313554845 ZPSAKFIHGDMAAK-GFCCVEGCSA-N 252.270 -0.237 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@](O)(CO)C2)cc1 313651807 RZXZMNXKQZRHRE-CYBMUJFWSA-N 265.313 -0.364 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1CO 687590546 DQODWKZEQYFMMM-JTQLQIEISA-N 266.297 -0.154 10 10 CBCE O=C(N[C@H]1CCNC[C@H]1O)c1cccc(O)c1O 710369459 NEJAWHRRFNSJSS-WCBMZHEXSA-N 252.270 -0.450 10 10 CBCE O=C(N[C@]1(C(=O)O)CCCNC1)c1cc(O)nc(O)c1 711782273 XTXDSJGZGSJRFP-GFCCVEGCSA-N 281.268 -0.571 10 10 CBCE CNC(=O)C[S@](=O)C[C@H](O)COc1ccc(N)cc1 722446119 XDMIXTGNMDSDRJ-GIGQVBGESA-N 286.353 -0.497 10 10 CBCE O=C(NCc1cc(O)ccc1O)C1CS(=O)(=O)C1 1153884399 DITQQDTVZUUZCN-UHFFFAOYSA-N 271.294 -0.241 10 10 CBCE C[C@H](NC(N)=O)C(=O)NCc1c(O)cccc1O 1645362728 AOAPMDSLKSJURU-LURJTMIESA-N 253.258 -0.229 10 10 CBCE O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 1866302736 BEKCGMGIPSWARM-RQJHMYQMSA-N 283.236 -0.537 10 10 CBCE [N-]=[N+]=N[C@@H]1CCCN([C@@H]2CS(=O)(=O)C[C@H]2O)C1 1912197639 WUZWMONVTZGKAR-IWSPIJDZSA-N 260.319 -0.081 10 10 CBCE CNCc1cc(F)c(N2CC(O)(C(N)=O)C2)c(F)c1 1915250357 NWHQDGBDHHKGST-UHFFFAOYSA-N 271.267 -0.279 10 10 CBCE O=C1NC(=O)[C@@H](C2CN(c3ccc(CO)cc3)C2)N1 2128532254 XJUMMUATQNHYJW-LLVKDONJSA-N 261.281 -0.177 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2136336322 LZCVVIWFPNHQEW-GIMBAOAISA-N 270.304 -0.252 10 10 CBCE C[C@]1(O)CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 2136876412 FOCKVBFTSVCUCE-PELKAZGASA-N 268.269 -0.549 10 10 CBCE Cc1ccc(CN2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)c(O)c1 2139756697 YBHZOZOPBILKMQ-SDDRHHMPSA-N 267.281 -0.309 10 10 CBCE Cc1cccc(CNC(=O)[C@@]2(O)CCNC[C@@H]2O)c1O 2204622826 JFCCUHFBLMCDAJ-SMDDNHRTSA-N 280.324 -0.598 10 10 CBCE C[C@@H](NC(=O)[C@@H]1NCC[C@H](O)[C@@H]1O)c1ccccc1O 2357204521 NVXYQZLVFKURPO-NZBQSGDWSA-N 280.324 -0.347 10 10 CBCE NC(=O)[C@@H](c1ccc(O)c(O)c1)N1CCCNCC1 37943760 FORPPNBXMWNNSK-GFCCVEGCSA-N 265.313 -0.081 10 10 CBCE CCN(CC(=O)NC)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40460345 YRGACHYFXDFTTA-JTQLQIEISA-N 295.339 -0.438 10 10 CBCE C[C@@H]1[C@@](NCCN=[N+]=[N-])(C(=O)O)CCS1(=O)=O 393863945 MEDREOCYGCCXAL-HTRCEHHLSA-N 262.291 -0.083 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1ccccc1O 720536385 WNBNDTMONGRRJB-UHFFFAOYSA-N 265.313 -0.314 10 10 CBCE C[C@H](O)CNC(=O)c1nnn(-c2ccc(N)cc2)n1 1857879083 UGIFZOOLIGVDSV-ZETCQYMHSA-N 262.273 -0.645 10 10 CBCE CC1(C(N)=O)CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 1914212764 UTSZLEAJAXFWIW-JTQLQIEISA-N 260.297 -0.050 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)[C@H]1CCNC1=O 1916802614 OTRWSPGQSWZEMK-QWRGUYRKSA-N 260.297 -0.037 10 10 CBCE CNC[C@H](O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1971931583 RXQLJWHJKPISQD-JTQLQIEISA-N 268.313 -0.321 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H](CO)CCCO 2046416359 DRTYKPCNBUDVCF-MRVPVSSYSA-N 253.302 -0.087 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N3CCCNC(=O)C3)c2n1 2062064904 WASISCWBDCOBRU-UHFFFAOYSA-N 289.295 -0.295 10 10 CBCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1ccccc1O 2087411678 QMAUZSPJVOCIAV-NWDGAFQWSA-N 282.365 -0.037 10 10 CBCE CN(C)[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1O 2089923930 RTESJPCCIVOWQQ-CHWSQXEVSA-N 263.341 -0.055 10 10 CBCE CN(C)[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H]1O 2089923931 RTESJPCCIVOWQQ-OLZOCXBDSA-N 263.341 -0.055 10 10 CBCE Cc1cc(N2CCN(C[C@@H](O)CO)CC2)ccc1CO 2178034416 FLKRFGTZLJAMOF-OAHLLOKOSA-N 280.368 -0.037 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1OC 2204557115 LWVIWMXZURKQQP-SGMGOOAPSA-N 282.340 -0.683 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1Cc1cc(N)ccc1O 2225700713 GZCOYUVPDYMAKP-RTXFEEFZSA-N 268.313 -0.473 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)c(OC)c1 2234073991 SBCSXOWHTAMTGG-BZPMIXESSA-N 282.340 -0.289 10 10 CBCE COc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)ccc1CO 2234092541 KSOSZBNTRIAKOG-KBPBESRZSA-N 283.324 -0.518 10 10 CBCE CN1C(=O)NC(=O)C(=Cc2cnc(N(C)C)nc2)C1=O 2297361399 BOLQMFQQILAUAR-UHFFFAOYSA-N 275.268 -0.366 10 10 CBCE CC[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332920090 MJSNEZJRAXDPSY-SYQHCUMBSA-N 266.341 -0.001 10 10 CBCE CS(=O)(=O)CCNS(=O)(=O)Cc1ccc(N)cc1 37750207 FJNFTUFDDAITSI-UHFFFAOYSA-N 292.382 -0.267 10 10 CBCE C[C@](O)(CO)CNS(=O)(=O)Cc1ccc(N)cc1 90285535 REYUUHXFROKTCV-LLVKDONJSA-N 274.342 -0.569 10 10 CBCE CN(C(=O)Cn1c(=O)ccn(C)c1=O)c1ccc(N)cc1 111545625 CYDNDNZPSZVPJD-UHFFFAOYSA-N 288.307 -0.208 10 10 CBCE NC(=O)[C@@H]1CCCN1C[C@@H](O)COc1ccc(N)cc1 221868296 VOYPUDGQOYFXLF-YPMHNXCESA-N 279.340 -0.042 10 10 CBCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@@H](O)C2)cc1 236349692 OTVBOSLHQUOISL-RYUDHWBXSA-N 250.298 -0.235 10 10 CBCE C[C@H](O)CN(CCO)C(=O)COc1ccc(N)cc1 311846205 HSSXKWMAJDNAOS-JTQLQIEISA-N 268.313 -0.151 10 10 CBCE C[C@H](C(N)=O)N(C)S(=O)(=O)Cc1ccc(N)cc1 711127324 JUWVPYAQHOGOEW-MRVPVSSYSA-N 271.342 -0.096 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCS(=O)(=O)CC1 1627905513 ICLSGCWJMLRZSK-UHFFFAOYSA-N 285.321 -0.103 10 10 CBCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(O)COC1 1633819007 NSUDYIUFCLZHTI-QMMMGPOBSA-N 267.281 -0.094 10 10 CBCE O=c1nc(CNCc2ccc(O)c(O)c2O)[nH]o1 2052629055 IIRNIOLLGUUDPX-UHFFFAOYSA-N 253.214 -0.231 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccccc1O 2080551883 HCEDROGFGNFUHL-DCAQKATOSA-N 253.254 -0.617 10 10 CBCE CN1CCc2cc(CNCCCNS(N)(=O)=O)ccc21 2157531034 ZBHGYUONWNZWLJ-UHFFFAOYSA-N 298.412 -0.048 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]21 2176420198 ZGNCMNGNKPBHKI-NGERZBJRSA-N 278.308 -0.129 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2[C@H](CO)CO[C@H]2C1 2178148526 UWJAXMRCHSIZKD-BBBLOLIVSA-N 280.280 -0.428 10 10 CBCE C[C@H](O)[C@@H]1C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2182274829 IOGXKZWIZSWOGC-DMLMCSCLSA-N 280.324 -0.147 10 10 CBCE OCc1cc(F)c(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(F)c1 2183643195 RZRZTQXGHRAUDC-PWSUYJOCSA-N 287.262 -0.232 10 10 CBCE O=C(NCC[C@H]1COC[C@H]1O)c1cc(O)c(O)c(O)c1 2188867602 DDBIIDOQSKMSHQ-WRWORJQWSA-N 283.280 -0.069 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(N)cc1 2207463276 DGPWREQFULVUQZ-NWDGAFQWSA-N 298.364 -0.261 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1Cc1cc(N)ccc1O 2225700711 GZCOYUVPDYMAKP-RAIGVLPGSA-N 268.313 -0.473 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2225800327 QKEJHAXQMQRBSK-YUMQZZPRSA-N 290.349 -0.270 10 10 CBCE Cc1cc(N2CCNC(=O)[C@@H]2C(N)=O)ccc1[C@@H](C)N 2285123338 DHHCNPRZZDCCCQ-SKDRFNHKSA-N 276.340 -0.195 10 10 CBCE N=c1nnc(OC[C@@H]2COC3(CCC3)CO2)n[nH]1 2317207721 UXPBHUBAUZAVME-SSDOTTSWSA-N 253.262 -0.604 10 10 CBCE CS(=O)(=O)NC1CN(C(=O)Cc2ccc(N)cc2)C1 705477459 MRDGXJFJRGKULO-UHFFFAOYSA-N 283.353 -0.429 10 10 CBCE CN(C)c1ccc(CNC(=O)CCNC(=O)CO)cc1 905317640 KBRNWWJYFJGEQB-UHFFFAOYSA-N 279.340 -0.133 10 10 CBCE CNCC(=O)c1cc(O)c(O)c(S(=O)(=O)O)c1 1848440967 JNYXQAXZXNXNLV-UHFFFAOYSA-N 261.255 -0.253 10 10 CBCE CN1CC(=O)N(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1=O 1912156428 OQMSSIIQYYUZLF-ZETCQYMHSA-N 266.261 -0.208 10 10 CBCE N[C@@H](CCNC(=O)c1ccc(O)c(O)c1)C(=O)O 2028194694 DRZDIILMHIVCKW-ZETCQYMHSA-N 254.242 -0.370 10 10 CBCE Oc1ccc(Cl)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2046514546 OHUSUMZCQUPVSH-NUGNTBJXSA-N 273.716 -0.010 10 10 CBCE C[C@H](O)[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 2053804884 FAEDETOFMHWXQE-IONNQARKSA-N 255.270 -0.502 10 10 CBCE Cc1cccc(CNC(=O)CNS(C)(=O)=O)c1O 2084057230 RDJYQMPLBYHBLW-UHFFFAOYSA-N 272.326 -0.134 10 10 CBCE COc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c1O 2121364270 NKNWJXVSZXEOAS-ZJUUUORDSA-N 287.337 -0.352 10 10 CBCE CO[C@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132408087 UHHZZIJWVGJTCF-XVKPBYJWSA-N 269.253 -0.053 10 10 CBCE O=C1N[C@@H]2CN(Cc3cccc(F)c3O)C[C@H]2NC1=O 2166790062 BPEFQMVABPTCGL-NXEZZACHSA-N 279.271 -0.670 10 10 CBCE N=c1nnc(OCCOCC2CCNCC2)n[nH]1 2219020293 JXFYGGSXJGTXEM-UHFFFAOYSA-N 254.294 -0.926 10 10 CBCE Cn1nnnc1[C@@H](O)c1ccc(N2CCNCC2)cc1 2286072110 XSWPQJHVLFYIPW-LBPRGKRZSA-N 274.328 -0.299 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)OCCO3)C[C@H](O)[C@@H]1O 2289510358 GNVAXLXBXFFZJL-NURSFMCSSA-N 281.308 -0.392 10 10 CBCE COc1ccc(CNC(=O)[C@H](N)CC(N)=O)c(O)c1 83494608 GFYWPDSILJSUNA-SECBINFHSA-N 267.285 -0.780 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CC(=O)N2CCCC[C@H]21 305988219 NSKHTCCFVOJMJX-GZMMTYOYSA-N 266.305 -0.105 10 10 CBCE CN(c1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@H]1O 702048575 JEZLABSEEVDRPV-WDEREUQCSA-N 256.327 -0.137 10 10 CBCE O=C(NCc1cccc(O)c1O)C1=NN2CCCN=C2N1 1644710581 DSWWRIYOUUPZLY-UHFFFAOYSA-N 289.295 -0.308 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCNC[C@H]2O)cc1 1876405750 HMZFHBQQRXHGQY-VXGBXAGGSA-N 285.369 -0.589 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CNCCO1 1969470876 OSZVWVGGXUYRIG-SNVBAGLBSA-N 266.297 -0.255 10 10 CBCE CNC1(C(N)=O)CN(Cc2cc(F)ccc2O)C1 2047098930 MPNSBLKBBCIESO-UHFFFAOYSA-N 253.277 -0.210 10 10 CBCE C[C@H](O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2087725744 ZFLRLVMYIIOVJG-KGFZYKRKSA-N 269.253 -0.410 10 10 CBCE O=C(O)CN1CC(NC(=O)Cc2ccc(O)c(O)c2)C1 2169322391 HJQYTOKIGRDMSA-UHFFFAOYSA-N 280.280 -0.475 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCNC[C@H]2CO)cc1 2191656800 XGLAVXNULJQYNA-GWCFXTLKSA-N 279.340 -0.266 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 38055436 GNBBVLFTYMBXTP-SNVBAGLBSA-N 284.337 -0.049 10 10 CBCE CS(=O)(=O)CCNC(=O)COc1ccc(N)cc1 40305832 PSINWPOUAFGCFT-UHFFFAOYSA-N 272.326 -0.192 10 10 CBCE Nc1ccc(OC[C@@H](O)CN(CCO)CCCO)cc1 385554002 JQYUXHGBRSGWDC-ZDUSSCGKSA-N 284.356 -0.315 10 10 CBCE C[C@H](CNC(=O)COc1ccc(N)cc1)S(N)(=O)=O 398232701 JMXVDDOTSDRKBB-MRVPVSSYSA-N 287.341 -0.559 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1cc(F)ccc1O 720536066 PVKRWSWLCAWBSN-UHFFFAOYSA-N 283.303 -0.175 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(C)(C(N)=O)C3)cc21 1914215334 IRVQHJVENRBNCI-LLVKDONJSA-N 274.324 -0.026 10 10 CBCE COC[C@@H](NCc1cccc(OC)c1O)C(N)=O 2034938846 FGDSABHTBMQVGZ-SECBINFHSA-N 254.286 -0.009 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1NCC[C@H](O)[C@H]1O 2184019246 ARVZEDUTUFDQTN-YNEHKIRRSA-N 280.324 -0.566 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@H]21 2201278116 LCHUXARBMAYIGK-QCMRWSPLSA-N 273.292 -0.160 10 10 CBCE O=C(N[C@H]1CO[C@]2(CCNC2)C1)c1cc(O)nc(O)c1 2201748197 XNCLJHKFMYZKSO-NOZJJQNGSA-N 279.296 -0.256 10 10 CBCE N[C@@H](c1nnc(C2CNC2)o1)c1ccc(O)c(O)c1O 83585088 ADVWKZSJUXFYJO-MRVPVSSYSA-N 278.268 -0.079 10 10 CBCE O=C1CC[C@@H](NCc2cccc(O)c2O)C(=O)N1 89754660 YCRBQKKEBTUQBC-MRVPVSSYSA-N 250.254 -0.007 10 10 CBCE C[C@H]1C(=O)NCCN1C(=O)COc1ccc(N)cc1 110653042 BREWQFHPNYIBNI-VIFPVBQESA-N 263.297 -0.006 10 10 CBCE O=C(NCCN1CCNCC1)c1ccc(O)c(O)c1 236560470 XFMHACOSYBEXDB-UHFFFAOYSA-N 265.313 -0.267 10 10 CBCE CN1C[C@H](C(=O)NCCc2ccc(N)cc2)NC1=O 852797015 ZIZHWKSMDKMECO-LLVKDONJSA-N 262.313 -0.049 10 10 CBCE C[C@H]1[C@@H](O)CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1914424793 XTCIPQCQBPGKPN-LSJOCFKGSA-N 280.324 -0.051 10 10 CBCE O=C1[C@@H]2CS(=O)(=O)C[C@H]2C(=O)N1Cc1ccccc1O 1924753788 WZJHXNXZBJSAJM-NXEZZACHSA-N 295.316 -0.078 10 10 CBCE O=C(N[C@H]1COC[C@H]1CO)c1cc(O)nc(O)c1 2029857405 LCHZEGDPWQHSCK-SFYZADRCSA-N 254.242 -0.770 10 10 CBCE O=C(N[C@@H]1C[C@@H](O)C[C@H]1O)c1ccc(O)c(O)c1 2046405952 OJKRAHXPOIXDHO-NQMVMOMDSA-N 253.254 -0.288 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2080924723 DMPVYWPIRUHFFR-GRYCIOLGSA-N 257.261 -0.779 10 10 CBCE O=C(O)[C@@H](F)C1CN(C(=O)c2cc(O)nc(O)c2)C1 2110530493 GUTIRKDYHJTSCZ-VIFPVBQESA-N 270.216 -0.013 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)C[C@H](O)C1 2132349116 YVLGZVGVEVDCGE-YUMQZZPRSA-N 269.253 -0.629 10 10 CBCE COCC1(NC(=O)Cc2ccc(O)c(O)c2)CNC1 2134142757 XVHPVTJYHWWUEQ-UHFFFAOYSA-N 266.297 -0.255 10 10 CBCE NN=c1[nH]nc(C(=O)NCCc2ccc(O)c(O)c2)s1 2182675160 KTCRVLFGNOMBQK-UHFFFAOYSA-N 295.324 -0.371 10 10 CBCE NC(=O)N1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188876096 XQSMOUWENRODAC-ZETCQYMHSA-N 281.268 -0.314 10 10 CBCE C[C@]1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3O)CC[C@@H]1O 2201542528 HSNSMRYWAYDCIF-SCRDCRAPSA-N 278.308 -0.006 10 10 CBCE COc1ccc(N2CC(O)(C(N)=O)C2)c(OC)c1 2219638562 OBYPCDLDSWTURM-UHFFFAOYSA-N 252.270 -0.260 10 10 CBCE Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@@H]2F)c(=O)[nH]c1=O 6069518 AVYGFRQPURLSLQ-JVZYCSMKSA-N 285.235 -0.248 10 10 CBCE CC[C@@H]1C(=O)NC(=O)CN1C(=O)c1cccc(O)c1O 126465830 ZSDPEAFZVHKOGX-MRVPVSSYSA-N 278.264 -0.025 10 10 CBCE N[C@]1(CNC(=O)c2ccc(O)c(O)c2)CCOC1 688481751 IWWZGAJCHJLJPS-LBPRGKRZSA-N 252.270 -0.055 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H]3CO)ccc21 698112805 FPUCTZZSEZUHSA-BREBYQMCSA-N 277.324 -0.169 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)[C@@H](CO)C1 699485892 HGQIFUWMIPDAAU-ZWNOBZJWSA-N 276.340 -0.249 10 10 CBCE N[C@H]1COCC[C@H]1NC(=O)c1ccc(O)c(O)c1 707038557 AMJSHMURVIGSQR-DTWKUNHWSA-N 252.270 -0.056 10 10 CBCE COc1ncnc(OC)c1C(=O)OCC(=O)C(C)=O 808514879 DZHKAYMCGVOKQU-UHFFFAOYSA-N 268.225 -0.191 10 10 CBCE COCC1(NS(=O)(=O)Cc2ccc(N)cc2)CNC1 1876403081 DDMLMSMBEWKBIE-UHFFFAOYSA-N 285.369 -0.323 10 10 CBCE N[C@@H](CCNC(=O)c1cc(O)nc(O)c1)C(=O)O 2028194527 CIJYIOHORXNRSS-LURJTMIESA-N 255.230 -0.975 10 10 CBCE O=C(N[C@@H]1COC[C@H]1CO)c1cc(O)nc(O)c1 2029857403 LCHZEGDPWQHSCK-HTQZYQBOSA-N 254.242 -0.770 10 10 CBCE C[P@]1(=O)C[C@H](O)[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2121333210 KHZHPLGSGXCUNB-FZIOLRSQSA-N 286.224 -0.041 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1O 2136340845 YFHIYZBRTYTAAR-QNWTXNENSA-N 268.313 -0.685 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@@H](O)[C@H]1CF 2205598686 GKHACDNYQZFCLX-UASFKTIASA-N 287.243 -0.681 10 10 CBCE OC[C@@]1(O)CCN(c2ccc3c(c2)CCO3)C[C@@H]1O 2226749909 UGTBPEZIDODLFO-KBPBESRZSA-N 265.309 -0.084 10 10 CBCE Nc1ccc(NC(=O)N2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2234106604 QFEYRIXWKWTIBZ-WCQYABFASA-N 281.312 -0.409 10 10 CBCE O=C(NCC[C@H](O)CCO)c1cc(O)c(O)c(O)c1 2351739916 JJDRAXACQKRJJT-QMMMGPOBSA-N 271.269 -0.333 10 10 CBCE COC[C@H](N)C(=O)NCc1cc(OC)ccc1O 83398157 OSXCCZLWVIXZBZ-JTQLQIEISA-N 254.286 -0.009 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCO[C@H](CO)C1 227041246 SOTRBWGZPIZTSQ-VIFPVBQESA-N 253.254 -0.069 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)[C@H](CN)C1 234327303 KSPWTPIZRGSVJL-SNVBAGLBSA-N 265.313 -0.187 10 10 CBCE Nc1ccc(CC(=O)NCC[C@@H](O)C(=O)O)cc1 236350151 RWXJIBHLAGDOAG-SNVBAGLBSA-N 252.270 -0.237 10 10 CBCE CS(=O)(=O)NCC(=O)N1CCC[C@H]1CN=[N+]=[N-] 691683455 CFKYLNQDBJSJGY-ZETCQYMHSA-N 261.307 -0.163 10 10 CBCE O=C1Nc2cc(N3CCC(CO)(CO)C3)ccc2[C@@H]1O 694633836 CERIFYIYTRGYBF-LBPRGKRZSA-N 278.308 -0.147 10 10 CBCE O=C(N[C@H]1COCC[C@H]1O)c1cccc(O)c1O 710866013 KXLWLBRLPFRSPB-DTWKUNHWSA-N 253.254 -0.023 10 10 CBCE NCCOCCS(=O)(=O)NCc1ccccc1O 722218404 BUMVFPXDPHDWNL-UHFFFAOYSA-N 274.342 -0.213 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 723198963 NGHYYAQCHQKTGY-XXILOJSOSA-N 276.340 -0.271 10 10 CBCE NC(=O)c1ncn(CC(=O)NCc2ccccc2O)n1 1445971753 ONRSGCJTBILAKY-UHFFFAOYSA-N 275.268 -0.601 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOC[C@H]1O 1644861187 PRUCZLDNEJOVGK-BXKDBHETSA-N 267.281 -0.094 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H](N)CO)cc1 2016967074 YCWCNYSRKJEYHV-SNVBAGLBSA-N 259.331 -0.992 10 10 CBCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]2COC[C@H]12 2102179422 BLKFFFPEPBQPSL-OPRDCNLKSA-N 264.281 -0.104 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2116192523 WJFWDNIHMGEQGP-VDAHYXPESA-N 267.285 -0.679 10 10 CBCE COc1cccc(O)c1CN(CC(N)=O)CC(=O)O 2136346544 JTOBHFSDFFIMFR-UHFFFAOYSA-N 268.269 -0.227 10 10 CBCE N=c1nnc(OC[C@H]2CC[C@](F)(CN)CC2)n[nH]1 2219013407 RTNWKLVRLKDLBP-WKFQBHICSA-N 256.285 -0.085 10 10 CBCE CN(C(=O)C1=C[C@@H](O)[C@H](N)C1)c1ccc(=O)n(C)c1 2224797286 WEHIKWIEWIHIMF-GHMZBOCLSA-N 263.297 -0.634 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@H]1CO 2233747082 QVVUZOPDYMMDPA-GARJFASQSA-N 280.324 -0.145 10 10 CBCE CN1CCN(CCC(=O)Nc2ccc(N)cc2)C(=O)C1=O 61797531 SFYNQCUJYVDHHO-UHFFFAOYSA-N 290.323 -0.102 10 10 CBCE CN(C(=O)CN1C[C@H](O)[C@@H](O)C1)c1ccc(N)cc1 234258351 CRXWKEGGARXGIB-RYUDHWBXSA-N 265.313 -0.731 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](O)C1)OCCO2 236368782 AIBJMVWVQQGSDH-UWVGGRQHSA-N 252.270 -0.418 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@](O)(CO)C2)cc1 313784816 IAUKZHJQSRVLCW-CYBMUJFWSA-N 266.297 -0.397 10 10 CBCE CC[C@H](NC(C(N)=O)C(N)=O)c1ccccc1O 695342077 MBFAGXMWOYYPMM-QMMMGPOBSA-N 251.286 -0.228 10 10 CBCE COC(=O)C[C@H](N)C(=O)NCc1ccccc1O 828015234 BKQLSBUNXFXMMV-VIFPVBQESA-N 252.270 -0.101 10 10 CBCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CO)NC(N)=O 1135690607 WPWUIBSDRPRWMZ-GFCCVEGCSA-N 294.355 -0.260 10 10 CBCE CN(C)Cc1cc([C@H](N)[C@@H](O)C(=O)O)ccc1O 1952508650 IWJNFCYGLALPJC-WDEREUQCSA-N 254.286 -0.101 10 10 CBCE O=C1CN(Cc2ccccc2O)[C@H](C(=O)O)CN1 1963615371 XNZBDDZTTQVHEI-VIFPVBQESA-N 250.254 -0.223 10 10 CBCE OC[C@H]1COC[C@H]1NCc1ccc(O)c(O)c1O 2029851104 NKJAWUNUTWRMCV-DTWKUNHWSA-N 255.270 -0.100 10 10 CBCE O=C(N[C@H]1CCONC1)c1cc(O)c(O)c(O)c1 2068624594 QSLXMOLFVONJKH-ZETCQYMHSA-N 254.242 -0.173 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@@H]1O 2105100816 GGNYZFNZLPJPAF-AEJSXWLSSA-N 266.297 -0.393 10 10 CBCE COC[C@@H](NC(=O)[C@@H]1CNc2ccccc2N1)C(N)=O 2152365552 LHLHLRZTINQBTP-WDEREUQCSA-N 278.312 -0.491 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@](CO)(C(=O)O)C1 2159949468 KYZUGJDBUKUTEN-GFCCVEGCSA-N 282.252 -0.598 10 10 CBCE O=C1N[C@H]2CN(Cc3c(O)cccc3F)C[C@@H]2NC1=O 2166791639 VBLDPMQOXFCBET-UWVGGRQHSA-N 279.271 -0.670 10 10 CBCE C[C@@H](CO)N1CCN(C(=O)c2cc(O)nc(O)c2)CC1 2169357106 XWTIDHZSGJKVPO-VIFPVBQESA-N 281.312 -0.369 10 10 CBCE NCC(CN)NC(=O)c1ccn(-c2ccc(N)cc2)n1 2191744904 BKMHMYRGTWJSMO-UHFFFAOYSA-N 274.328 -0.530 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@H]2CNC[C@H]2O)cc1 2191758993 YZAQCSKEUOWHRQ-ZWNOBZJWSA-N 279.340 -0.266 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)COCC2 2226710332 HAFGJZJXQSUEKM-MGPQQGTHSA-N 265.309 -0.338 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2354482782 MNSNSXGWJODFCQ-BQUFFADESA-N 298.364 -0.476 10 10 CBCE Nc1ccc(NC(=O)CN2CC(=O)NC(=O)C2)cc1 97267477 MGBYPRBOIFOGBL-UHFFFAOYSA-N 262.269 -0.834 10 10 CBCE Nc1ccc(OCCN2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 386987478 ODJBXECIQDUSIG-RYUDHWBXSA-N 275.308 -0.148 10 10 CBCE CN(C)S(=O)(=O)CC(=O)NCCc1ccc(N)cc1 832658761 BJJHEAXULGTXTK-UHFFFAOYSA-N 285.369 -0.181 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N(CCO)CCOCCO 1642497869 KRFGGESIFWOYFO-UHFFFAOYSA-N 299.323 -0.530 10 10 CBCE CO[C@H]1CNC[C@H]1NC(=O)COc1ccc(N)cc1 1876491866 RYTCXQPCPJRZML-NEPJUHHUSA-N 265.313 -0.249 10 10 CBCE Nc1ccc(OCC(=O)NC2(CCO)CNC2)cc1 1876523555 PAFPVGPYDNZIMX-UHFFFAOYSA-N 265.313 -0.512 10 10 CBCE C[C@H](CN)S(=O)(=O)NCCc1ccc(O)c(O)c1 2031072510 YSVRAPDINMVSRV-MRVPVSSYSA-N 274.342 -0.093 10 10 CBCE Nc1ccc(CC(=O)NC2([C@@H](O)CO)CC2)cc1 2069743741 LQEBTGQUYWUTFL-NSHDSACASA-N 250.298 -0.187 10 10 CBCE CN(C)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 2146133891 YJSRUCNKRDXZOF-MFKMUULPSA-N 280.324 -0.226 10 10 CBCE COC[C@@H](NC(=O)CCOc1ccc(N)cc1)C(N)=O 2152362994 ADWOMOPNNRDPIR-LLVKDONJSA-N 281.312 -0.346 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@](CO)(CCO)C1 2153353646 GOYMPWLVIDOTOC-CYBMUJFWSA-N 282.296 -0.300 10 10 CBCE NC[C@]1(O)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 2179498253 PHALMWZHFDHJLG-YPFXGUDJSA-N 280.324 -0.144 10 10 CBCE C[C@]1(CO)C[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188868095 LYJZQHSACKJQRN-AMIZOPFISA-N 283.280 -0.239 10 10 CBCE C[C@H](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459797 FKWKTIQFLAXRHJ-CBAPKCEASA-N 254.286 -0.535 10 10 CBCE COc1cccc(CN2CCNC[C@H]2C(N)=O)c1O 88659493 MITCDJIWFDVYQA-JTQLQIEISA-N 265.313 -0.340 10 10 CBCE NC(=O)NCCNS(=O)(=O)Cc1ccc(N)cc1 132028899 OCOFYEUDLUSLTO-UHFFFAOYSA-N 272.330 -0.644 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOC[C@@H]1CO 168612465 JNRBKRHDSDFFMO-QMMMGPOBSA-N 254.242 -0.674 10 10 CBCE CN(CCNS(C)(=O)=O)C(=O)c1ccc(O)c(O)c1 690964578 DVUYJJDZFMURHW-UHFFFAOYSA-N 288.325 -0.281 10 10 CBCE C[C@H](C(N)=O)N(C)C[C@@H](O)COc1ccc(N)cc1 711130333 XFTFPTQXYJFXPL-MWLCHTKSSA-N 267.329 -0.186 10 10 CBCE Nc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1 861513476 IEHNOVPZORKAFP-GVJMRKKJSA-N 276.296 -0.413 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCNC1=O 1630808642 NNONIFQEYZIMEI-SECBINFHSA-N 264.281 -0.013 10 10 CBCE NS(=O)(=O)NCCCNCc1c(O)cccc1F 2042606030 WHAMQDDRSIYEDR-UHFFFAOYSA-N 277.321 -0.196 10 10 CBCE CNC1(C(N)=O)CN(c2ccc(OC)c(OC)c2)C1 2109481583 OCBWBFGTYBJUFX-UHFFFAOYSA-N 265.313 -0.033 10 10 CBCE NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 2118153554 ABTWISHSHASFSV-YUMQZZPRSA-N 266.253 -0.842 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(F)c1 2127250505 JAPVSYFVIFAIAW-NWDGAFQWSA-N 268.288 -0.405 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166789081 OWQYLRRVOHURNW-KPXOXKRLSA-N 275.308 -0.457 10 10 CBCE O=C(c1cccc(O)c1O)N1CC2(CNS(=O)(=O)C2)C1 2176160008 PRPBKBMSWAASHM-UHFFFAOYSA-N 298.320 -0.527 10 10 CBCE NC[C@@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CO1 2188917595 YDMXXKNNBJUTSF-CBAPKCEASA-N 282.296 -0.103 10 10 CBCE Nc1ccc(CS(=O)(=O)N(C2CNC2)C2COC2)cc1 2191762458 UPJOHCOWYKOUDU-UHFFFAOYSA-N 297.380 -0.229 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCNC[C@@H]2CO)cc1 2191785277 YFZRDWXNWJPJAQ-DGCLKSJQSA-N 299.396 -0.341 10 10 CBCE COc1ccc(N2C[C@@H](CO)[C@@H](O)C2)c(CN)c1 2220410088 VCGLPDXMDKAZAM-GWCFXTLKSA-N 252.314 -0.057 10 10 CBCE Nc1ccc(CCCN2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2234101268 QJIBHJNXZWWSEO-LSDHHAIUSA-N 280.368 -0.009 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)cc1CO 2235970995 WOTNLAXELLXUAH-HZSPNIEDSA-N 283.324 -0.256 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CCO3)C[C@@H](O)[C@@H]1O 2273675399 VQUDNMMGEAOGLO-ZKYQVNSYSA-N 265.309 -0.228 10 10 CBCE CCOC(=O)CNC(=O)[C@@H](N)c1ccc(O)cc1O 83496874 INVBCZJWZOSZTL-NSHDSACASA-N 268.269 -0.223 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1CCC(=O)Nc1ccc(N)cc1 97290348 LDVRNSOGQUNJDN-SECBINFHSA-N 290.323 -0.056 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)Cc2ccc(N)cc2)C1 381781239 YGMLHYIKRWJTGB-ZDUSSCGKSA-N 263.297 -0.740 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@](O)(C(=O)O)C1 386789242 MRJOSGBPTQRGQH-LBPRGKRZSA-N 267.237 -0.241 10 10 CBCE CN(CC(C)(CO)CO)C(=O)c1cc(O)nc(O)c1 689230864 BSBAJFDWAKCOPH-UHFFFAOYSA-N 270.285 -0.444 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N(C)[C@@H]3COC[C@H]3O)cc21 708617392 GZLPMGGWRMTWMR-JHJVBQTASA-N 278.308 -0.108 10 10 CBCE NC(=O)N[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1153226210 YNPZSWHBAZWODM-SECBINFHSA-N 279.296 -0.091 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCOC[C@@H]2N)cc1 1876470663 DZFQUUYMEJRWFC-NWDGAFQWSA-N 285.369 -0.196 10 10 CBCE COC[C@](O)(CO)CNCc1c(O)cccc1F 1966068793 ZMCZJVPEUSUGTK-GFCCVEGCSA-N 259.277 -0.009 10 10 CBCE NCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1F 2090137511 ZOUUPJFHJAKNCY-STQMWFEESA-N 270.304 -0.157 10 10 CBCE CO[C@@H]1CN[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H]1OC 2140533380 CIGDJDXSMJZYND-NSOMGTDFSA-N 270.329 -0.746 10 10 CBCE NC[C@]1(CO)COCCN1c1ccc2c(c1)OCCO2 2162674234 YNUCQTTUFMSEBQ-AWEZNQCLSA-N 280.324 -0.016 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@@H](C(=O)O)CO1 2165806104 WKNWUDIBYCVDGO-HTRCEHHLSA-N 282.252 -0.193 10 10 CBCE O=C1NC(=O)[C@@H](C2CN(c3ccc(CO)cc3F)C2)N1 2184963086 TWSXTFCTIRNXHA-LLVKDONJSA-N 279.271 -0.038 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNC[C@H]2C(=O)O)cc1 2191784638 PZPDZSBCOIOKQB-NSHDSACASA-N 299.352 -0.543 10 10 CBCE C[C@H](c1cc(O)ccc1O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)O 2200861822 MXNKNJVZRQQYAP-VYLNZQIESA-N 283.280 -0.351 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1NC[C@@H](O)[C@H]1O 2201149999 QPPACLSGPNKXFU-HUXSOILUSA-N 280.324 -0.395 10 10 CBCE CSc1ncc(CNC(=O)[C@@H](N)CC(N)=O)s1 2248650715 JOPWGEIGRDYYCZ-LURJTMIESA-N 274.371 -0.316 10 10 CBCE C[C@H](NS(=O)(=O)C[C@@H](N)C(=O)O)c1ccccc1O 2270514456 LBWGDMUAXBHMOV-IONNQARKSA-N 288.325 -0.216 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1Cl 2273789617 FNDVHNJTELNRQD-JIMOISOXSA-N 287.743 -0.017 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2311714657 DYTSCFGDCUQNMI-UTUOFQBUSA-N 272.732 -0.299 10 10 CBCE NC(=O)[C@@H]1COCCN1C(=O)CCc1ccc(N)cc1 158740123 CRKIULHWUQOFIQ-LBPRGKRZSA-N 277.324 -0.086 10 10 CBCE COC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 159397113 LQXIXLKTWMPYQV-RKDXNWHRSA-N 298.295 -0.817 10 10 CBCE COC(=O)[C@H](O)CN1CCN(c2ccc(N)cc2)CC1 312600507 SCPMWPGLNYKEBL-CYBMUJFWSA-N 279.340 -0.075 10 10 CBCE O=C(CO)NCCC(=O)NCc1ccc(O)cc1O 1299573963 MFRMEDJUTLFSBQ-UHFFFAOYSA-N 268.269 -0.787 10 10 CBCE NC(=O)NC=C1SC(=S)N(CC(=O)O)C1=O 1911949514 OUXVMQHUZHWPJW-UHFFFAOYSA-N 261.284 -0.559 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1CO 1953087826 AADOUTRRMUWPDC-SNVBAGLBSA-N 267.281 -0.140 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)CO)c2n1 2063754301 QYZMYYJSMMJPDN-SSDOTTSWSA-N 250.258 -0.146 10 10 CBCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)S(C)(=O)=O 2132348927 VPDMSYHGJMLDQI-ZCFIWIBFSA-N 289.309 -0.034 10 10 CBCE NCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1F 2166791591 UTFVHEVVCVEXOB-PHIMTYICSA-N 278.287 -0.912 10 10 CBCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 2181210261 BBURSGPJNLTQLW-GRYCIOLGSA-N 277.324 -0.041 10 10 CBCE C[C@H]1CO[C@H](CN)CN1C(=O)c1cc(O)c(O)c(O)c1 2188923270 LPOQARXUVFBMBD-IONNQARKSA-N 282.296 -0.008 10 10 CBCE O=S1(=O)CC(O)(CNCc2cc(F)cc(F)c2O)C1 2267891996 GDTJPXHHDIMEQF-UHFFFAOYSA-N 293.291 -0.081 10 10 CBCE O=C(O)CNC[C@@H]1NCCc2c(O)ccc(O)c21 75799487 RPXDCUBJZIVEJF-QMMMGPOBSA-N 252.270 -0.041 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@](O)(CO)C2)cc1 313652831 LYMVAELSFPVCPJ-CYBMUJFWSA-N 250.298 -0.233 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)C[C@@H]2CO)cc1 704706299 NNLRTUHWESONCI-NEPJUHHUSA-N 250.298 -0.235 10 10 CBCE C[C@H](NC(=O)CCN1C(=O)CSC1=S)C(=O)O 1865765029 MPCIEXJUTLHLQK-YFKPBYRVSA-N 276.339 -0.174 10 10 CBCE CN(C)C[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 1865875998 LSPVYMMOOGSOOY-MRVPVSSYSA-N 270.285 -0.544 10 10 CBCE Nc1cccc(C(=O)O)c1N[C@@H]1CS(=O)(=O)C[C@H]1O 2121464586 FWKRMAQCJHZZHC-RKDXNWHRSA-N 286.309 -0.463 10 10 CBCE C[C@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2127700950 LWLUYWCPBPXDCL-KWQFWETISA-N 263.297 -0.470 10 10 CBCE NC(=O)N1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2132418985 PDHOTXBPHHBRJB-UHFFFAOYSA-N 267.241 -0.704 10 10 CBCE NCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(F)c1 2225730018 RVRGDVIPJCFTRL-OLZOCXBDSA-N 270.304 -0.421 10 10 CBCE Cn1nnc(CNS(=O)(=O)Cc2ccc(N)cc2)n1 398141952 APPVTEXAAHSVOW-UHFFFAOYSA-N 282.329 -0.588 10 10 CBCE NS(=O)(=O)C1(CNC(=O)c2cc(O)nc(O)c2)CC1 713966353 YZZWWNSWZXFAHT-UHFFFAOYSA-N 287.297 -0.956 10 10 CBCE Cn1nnc(CNC(=O)c2c(F)ccc(O)c2O)n1 1641518340 DAAYEUDEXGPCRB-UHFFFAOYSA-N 267.220 -0.310 10 10 CBCE CC1(C)CNC[C@H](CNC(=O)c2cc(O)nc(O)c2)O1 1926467921 LORBSYSLHXCGDG-SECBINFHSA-N 281.312 -0.010 10 10 CBCE O=S1(=O)C[C@H](c2cc(O)nc(O)c2)NCCN1 1952862049 LDYHUBACFNIFGQ-SSDOTTSWSA-N 259.287 -0.944 10 10 CBCE CO[C@@H](CN)C(=O)NCCc1ccc(O)c(O)c1 2031068502 CSXHIFMHMKHVJH-NSHDSACASA-N 254.286 -0.270 10 10 CBCE NCc1nnc(NC(=O)c2cc(O)nc(O)c2)o1 2083281996 ISOOVLHJKXXHBN-UHFFFAOYSA-N 251.202 -0.413 10 10 CBCE O=C(NCCC1(O)CNC1)c1cc(O)c(O)c(O)c1 2132412137 ALHQXMAZHMWQHT-UHFFFAOYSA-N 268.269 -0.742 10 10 CBCE N[C@@H]1COCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132417085 BEXWCFDARSFABR-SFYZADRCSA-N 268.269 -0.351 10 10 CBCE COc1cc(C(=O)N[C@@H](CO)CCCO)cc(OC)n1 2166946416 JCWPXZCUZHEWPP-SNVBAGLBSA-N 284.312 -0.038 10 10 CBCE Nc1ccc(O)c(CN2CCN3C(=O)NC(=O)[C@@H]3C2)c1 2171302759 MDILGZPFXUKILG-JTQLQIEISA-N 276.296 -0.290 10 10 CBCE NC(=O)[C@H]1CN(Cc2ccc(F)cc2O)C[C@@H]1C(N)=O 2204657118 SFGLBZHOEJBZCS-UWVGGRQHSA-N 281.287 -0.450 10 10 CBCE COc1ccc(N2CCN(CC(N)=O)CC2)c(CN)c1 2235966579 VDSIEDPRFHJIIR-UHFFFAOYSA-N 278.356 -0.239 10 10 CBCE CCNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40461628 OYFOUUUXBXHSGV-SCZZXKLOSA-N 295.339 -0.392 10 10 CBCE CC[C@@H](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 124964983 YAIRFZOJIPLBPL-ZJUUUORDSA-N 268.313 -0.145 10 10 CBCE O=C(N[C@H](CO)CCCO)c1cccc(O)c1O 199820578 GATDUMXVLRRWKN-QMMMGPOBSA-N 255.270 -0.039 10 10 CBCE N[C@H]1COCCN(C(=O)c2cccc(O)c2O)C1 399905443 CEXXBLVWJDSLDN-MRVPVSSYSA-N 252.270 -0.103 10 10 CBCE C[C@@H](NC(C(N)=O)C(N)=O)c1c(O)cccc1O 695341687 QUCYYUCHCAOYAW-RXMQYKEDSA-N 253.258 -0.912 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCN1C(=O)CNC1=O 1585687657 CMLWUYXSDGOLEP-UHFFFAOYSA-N 293.279 -0.692 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CCO)C(=O)O 2087725520 WHISOYIAWKRVPZ-MRVPVSSYSA-N 269.253 -0.408 10 10 CBCE OCC(CO)(CO)CN[C@@H]1CCc2cccc(O)c21 2123233744 ICDPRGRHDUOGAW-LLVKDONJSA-N 267.325 -0.068 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(Cl)c1 2127701387 NWWZJMGQGXQBMA-JTQLQIEISA-N 282.731 -0.411 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)[C@H]1CC(=O)NC1=O 2171191656 BCULYKBRFSAUIY-ONGXEEELSA-N 275.264 -0.477 10 10 CBCE O=C1Nc2cc(N3CC[C@@H]3[C@@H](O)CO)c(F)cc2[C@@H]1O 2286213750 XCKDHDMNJDCYQH-USWWRNFRSA-N 282.271 -0.257 10 10 CBCE COCCNCc1ccc(N2CC(=O)NC(=O)C2)cc1 97269744 PJNMHDDYORYQBI-UHFFFAOYSA-N 277.324 -0.115 10 10 CBCE Cc1cc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)no1 169996404 YEUOKJSCFFIKNI-LURJTMIESA-N 252.230 -0.569 10 10 CBCE CS(=O)(=O)NCCNC(=O)c1ccc(O)c(O)c1 227015905 ONLIABCGMLNCKE-UHFFFAOYSA-N 274.298 -0.623 10 10 CBCE NCc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1F 311144153 LRZRVAPYGGGXQU-LBPRGKRZSA-N 253.277 -0.289 10 10 CBCE CN1CCN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1CO 687630273 ODKOXVDREUXQQX-NSHDSACASA-N 280.324 -0.111 10 10 CBCE COC(=O)[C@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 1556126881 DZLGXBFHTXRYHF-CYBMUJFWSA-N 283.280 -0.320 10 10 CBCE NCc1ccc(N2CC(O)(C(N)=O)C2)c(Cl)c1 1915225538 ZQQGVNOPEXLOGA-UHFFFAOYSA-N 255.705 -0.165 10 10 CBCE CN1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CCCC1=O 2068217366 MCTQFGUHVLGPPO-SNVBAGLBSA-N 254.294 -0.247 10 10 CBCE NCCN(CCN)C(=O)c1cc(O)c(O)c(O)c1 2068630909 ZVIDMRLTXSMXCL-UHFFFAOYSA-N 255.274 -0.837 10 10 CBCE COCC1(NC(=O)c2cccc(O)c2O)CNC1 2070576196 JPGVJYGKLWBGMZ-UHFFFAOYSA-N 252.270 -0.184 10 10 CBCE CNCc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1 2090139169 PULNRZWLPHUJNW-UONOGXRCSA-N 266.341 -0.036 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@H](O)[C@@H](O)C2)cc1 2132114221 BMGMTUNSJMCHTM-RYUDHWBXSA-N 265.313 -0.365 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2160717219 RAVPMGRMPWEUKH-SCLYENHESA-N 277.324 -0.367 10 10 CBCE NC(=O)NC1CN(CCC(=O)Nc2ccc(N)cc2)C1 2163218642 ZKTRZAAJBPNUHD-UHFFFAOYSA-N 277.328 -0.050 10 10 CBCE Nc1ccc(CC(=O)N2CC3(CNS(=O)(=O)C3)C2)cc1 2176156182 QUDLFCRGTFPQMG-UHFFFAOYSA-N 295.364 -0.427 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1F 2225700144 IOZMGUNJIGSEAL-FRRDWIJNSA-N 270.304 -0.159 10 10 CBCE Cc1cc(CN)ccc1N1CC[C@](O)(CO)[C@@H](O)C1 2225729591 PSBSMELOVCCWLF-KBPBESRZSA-N 266.341 -0.252 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOC2(CNC2)C1 2272798958 AEPIZVGZTXGIOQ-UHFFFAOYSA-N 264.281 -0.088 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)[C@@H](O)[C@H]1CF 2333238908 GHSKHBXEYFQASH-ONOSFVFSSA-N 271.244 -0.387 10 10 CBCE N[C@H](CC(=O)O)C(=O)NCc1ccc(O)cc1O 83397852 BDKVXTHGHUXREJ-MRVPVSSYSA-N 254.242 -0.484 10 10 CBCE CO[C@@H](CNC(=O)c1cccc(O)c1O)C(=O)O 227263138 RPIJOCOCPINQSY-QMMMGPOBSA-N 255.226 -0.073 10 10 CBCE NC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccc(N)cc1 249999828 QBHDAQPEQKJCMC-AAEUAGOBSA-N 295.339 -0.805 10 10 CBCE O=C(NC1(CCO)CNC1)c1ccc(O)c(O)c1 398159041 RKRXVGKXSBZMBA-UHFFFAOYSA-N 252.270 -0.448 10 10 CBCE CS(=O)(=O)C1CC(NCCN=[N+]=[N-])(C(N)=O)C1 716068574 GYIBCXSUSFBALV-UHFFFAOYSA-N 261.307 -0.683 10 10 CBCE O=C1N[C@H](C(=O)NCc2ccc(O)cc2O)CO1 1570463107 GWBXEYQMWCVMIS-QMMMGPOBSA-N 252.226 -0.178 10 10 CBCE COc1ccc(N2C[C@H](N)C[C@@H](C(N)=O)C2)c(N)c1 1876299790 UKZKFAUZLZSYAI-RKDXNWHRSA-N 264.329 -0.084 10 10 CBCE C[C@@H]([C@](C)(NCCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2051100015 UNQCEQMQNXPWDQ-CBAPKCEASA-N 277.350 -0.047 10 10 CBCE CO[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1N 2058633531 AYMZMYMYQKRAGX-PSASIEDQSA-N 252.270 -0.104 10 10 CBCE Cc1cccc(CNC(=O)CNC(=O)CN)c1O 2084065488 YDOGKAYRFCPMDC-UHFFFAOYSA-N 251.286 -0.608 10 10 CBCE NC(=O)c1nc(CNC(=O)Cc2ccc(N)cc2)no1 2285658938 IAJRBLVGNGRHBP-UHFFFAOYSA-N 275.268 -0.390 10 10 CBCE CCOc1cccc(CN(CC(N)=O)CC(N)=O)c1O 134023116 NXKDPLDXWIJJPK-UHFFFAOYSA-N 281.312 -0.437 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCC[C@H]1O 323236130 VFBVEMSAFSHIEM-HBNTYKKESA-N 280.324 -0.003 10 10 CBCE Nc1ccc(OCCC(=O)NCCn2ncnn2)cc1 380057996 NTXKYTRNKACBIE-UHFFFAOYSA-N 276.300 -0.159 10 10 CBCE CN(CCO)CCN(C)c1ccc2c(c1)NC(=O)[C@H]2N 691350991 CUSJPYJTBBOERY-ZDUSSCGKSA-N 278.356 -0.001 10 10 CBCE CNC[C@H](O)CN(C)C(=O)c1cccc(O)c1O 708826409 CKTVBKIHKXBPOL-QMMMGPOBSA-N 254.286 -0.250 10 10 CBCE Cc1ccc(C(=O)NCCNC(N)=O)c(O)c1O 780943447 DGENFBJMDLYPCY-UHFFFAOYSA-N 253.258 -0.196 10 10 CBCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)C(=O)NC2=O 808515083 JLWKIOOOVZCOET-UHFFFAOYSA-N 275.216 -0.115 10 10 CBCE O=C(NCc1c(O)cccc1F)[C@H]1CCS(=O)(=O)N1 928706881 YFZSYLUHYWQZCV-SECBINFHSA-N 288.300 -0.161 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN1[C@H]1CS(=O)(=O)C[C@H]1O 2009446051 TVCFFOGZKQBGBL-HRDYMLBCSA-N 260.319 -0.081 10 10 CBCE C[C@@H](O)CNCCNC(=O)Cc1ccc(O)c(O)c1 2087728858 HSUJUJXYXLYFSC-SECBINFHSA-N 268.313 -0.273 10 10 CBCE Nc1ccc(CCN2CCOC[C@H]2[C@H](O)CO)cc1 2090136479 PZPYLSZJFQWMIS-UONOGXRCSA-N 266.341 -0.135 10 10 CBCE O=C(NCCO[C@@H]1CCNC1)c1cc(O)nc(O)c1 2109124598 YXHXOGNPVQDRKP-SECBINFHSA-N 267.285 -0.399 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)c2cn(C3CNC3)nn2)C1 2112570770 FKXJSKCHWVBTIW-ZKCHVHJHSA-N 263.301 -0.698 10 10 CBCE Nc1ccc(O)c(CN2CC3(C2)OC[C@H](O)[C@H]3O)c1 2127255506 AFJUYLBUMAPJGC-NWDGAFQWSA-N 266.297 -0.719 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](O)C[C@H]2CO)cc1 2200833023 NYOBVKVIFWRPNW-NWDGAFQWSA-N 280.324 -0.008 10 10 CBCE CC(CO)(CO)C(=O)NCCOc1ccc(N)cc1 2264625029 QCBWSQWMJYQYHX-UHFFFAOYSA-N 268.313 -0.245 10 10 CBCE Cn1nnc([C@@H](O)c2ccc(N3CCNCC3)cc2)n1 2286071463 NTOMAAUUCYUMHK-LBPRGKRZSA-N 274.328 -0.299 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(OC)c1 2289510128 DKMRMJBILGFEFY-DUFXMDAXSA-N 283.324 -0.146 10 10 CBCE NC(=O)C[C@@H]1CNCCN1Cc1ccc(O)cc1O 2343349028 MMOQIZPBWZQRGA-SNVBAGLBSA-N 265.313 -0.253 10 10 CBCE Cn1ccnc(N(CC(N)=O)Cc2ccc(N)cc2)c1=O 61752425 NECAHMJRHIRRQP-UHFFFAOYSA-N 287.323 -0.146 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1ccc(O)c(O)c1 236295228 GPSPGYTWCNTKBM-BWWFWGKFSA-N 264.281 -0.058 10 10 CBCE O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 236560708 NUVHHXMWPUXVGU-HTQZYQBOSA-N 267.237 -0.242 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](O)[C@H](O)C1 300299845 UPMDZERGDLADTL-QJPTWQEYSA-N 263.297 -0.543 10 10 CBCE Cn1[nH]c(CNC(=O)COc2ccc(N)cc2)cc1=O 391446161 MTPQEDDGIZJYKW-UHFFFAOYSA-N 276.296 -0.009 10 10 CBCE COc1ccc(CNC(=O)CN2CCOCC2=O)c(O)c1 794378461 SZRHFFXJIMVFOH-UHFFFAOYSA-N 294.307 -0.124 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)[C@@H](CO)C1 1451598210 DWOSOALVAFQLLT-GHMZBOCLSA-N 281.308 -0.158 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2118020566 YCKADPWDTBYHGV-MBTKJCJQSA-N 281.337 -0.177 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](CO)C(=O)O 2131455956 CPGJQNXJVZTXIS-MRVPVSSYSA-N 269.253 -0.550 10 10 CBCE N[C@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@]2(CCOC2)C1 2154532491 SGUOCNZSOHWSKZ-NOZJJQNGSA-N 279.296 -0.175 10 10 CBCE O=C(O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1O 2180073735 MEWJEIAHSULPGJ-HTQZYQBOSA-N 282.252 -0.600 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@@H]2O 2182529455 IUULBZZPCARUMO-OTMMVIPVSA-N 279.292 -0.089 10 10 CBCE NCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(F)c1 2225730017 RVRGDVIPJCFTRL-CHWSQXEVSA-N 270.304 -0.421 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CO[C@@H]3CNC[C@@H]3O2)C1 2265041342 JHALNWYHYGLDAZ-DKLQEMNFSA-N 268.313 -0.992 10 10 CBCE Oc1cccc(F)c1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309042421 GXDZHTNUUDDTHW-GMNPVEAJSA-N 257.261 -0.524 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@H](N)CS(C)(=O)=O 2335426672 USNMZWVKTQSMPT-SNVBAGLBSA-N 286.353 -0.278 10 10 CBCE CS(=O)(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40225798 NBVQELNLXNLGRO-SSDOTTSWSA-N 275.282 -0.357 10 10 CBCE N[C@H](CC(=O)O)C(=O)NCc1cc(O)ccc1O 83397861 VYQYRXJDUVLEPY-MRVPVSSYSA-N 254.242 -0.484 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1cc(Cl)ccc1O 134012727 DBQKDCMMUWNWES-UHFFFAOYSA-N 271.704 -0.182 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@H](O)C[C@@H]2CO)cc1 698140855 UEABJBQQHOFQFY-VXGBXAGGSA-N 280.324 -0.008 10 10 CBCE NS(=O)(=O)C1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1451281350 KHUKALJSTAQGHZ-RQOWECAXSA-N 298.320 -0.390 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CC(CO)(CO)C3)cc21 1914979622 DOODHMNSCWUABZ-LBPRGKRZSA-N 278.308 -0.513 10 10 CBCE NCCN(CCN)C(=O)Cc1ccc(O)c(O)c1 2034689040 PCMBZQRVFLGTEG-UHFFFAOYSA-N 253.302 -0.614 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1 2046514324 MLCCTTUYGVNDKN-LPTSXCQYSA-N 253.298 -0.355 10 10 CBCE O=C(NC1([C@H](O)CO)CC1)c1cccc(O)c1O 2069746030 XCUHKWRQRIPFPS-SECBINFHSA-N 253.254 -0.287 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN([C@H]2CC(CO)(CO)C[C@H]2O)C1 2085480852 RNLCSOLYCURTHN-KXUCPTDWSA-N 256.306 -0.135 10 10 CBCE CN(Cc1ccc(N)cc1)Cc1nc(=N)[nH]c(=N)[nH]1 2092478821 QVZRJYCJLICXPY-UHFFFAOYSA-N 259.317 -0.089 10 10 CBCE O=C(CN1C[C@H](CO)C[C@H]1CO)c1ccc(O)c(O)c1 2146128585 ZLDVZRFSAPLKTJ-KOLCDFICSA-N 281.308 -0.044 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@@H]1[C@@H](O)CO 2146324025 RASVWNPQWOSRNN-SKDRFNHKSA-N 283.280 -0.708 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H](O)[C@H](F)C1 2149205304 YSGKLKYCUFJNTE-VDDIYKPWSA-N 284.287 -0.491 10 10 CBCE CNC1(C(N)=O)CN(Cc2ccc3c(c2)CCN3C)C1 2165768427 ZXBAFGRKWWALAK-UHFFFAOYSA-N 274.368 -0.062 10 10 CBCE CN(Cc1nnn(C)n1)C(=O)COc1ccc(N)cc1 2197857525 NIYLVZORNWOQCJ-UHFFFAOYSA-N 276.300 -0.170 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CO 2232102388 KOYXPXRIKMZZDH-VZLIPTOUSA-N 267.325 -0.049 10 10 CBCE C1=NC2=NC=N[C@H]2C(N=NC2=NC=N[C@H]3N=CN=C23)=N1 2333261558 ZEHCQPHQOLWEQT-SVGQVSJJSA-N 266.228 -0.063 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1CO 687592984 CMABNCHYLXUZKD-SECBINFHSA-N 267.285 -0.759 10 10 CBCE O=C(CC[C@@H]1NC(=O)NC1=O)NCc1c(O)cccc1O 1304050072 IBZGGORNWCBHOP-QMMMGPOBSA-N 293.279 -0.298 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)C2CS(=O)(=O)C2)C1 1912151018 BOXVDLUSEAMDMB-ZETCQYMHSA-N 294.358 -0.255 10 10 CBCE Nc1cc2c(cc1N1CC(CO)(CO)C1)CCC(=O)N2 1914999145 BYPLASJLLDKBGS-UHFFFAOYSA-N 277.324 -0.056 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1(CO)CNC1 1918430665 ZCQPLLXDMNBKLV-UHFFFAOYSA-N 252.270 -0.909 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCNCCNCC1 1973152881 GGSKKNRZLJHGNN-UHFFFAOYSA-N 279.340 -0.338 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H](N)CO)cc1 2016970308 YCWCNYSRKJEYHV-JTQLQIEISA-N 259.331 -0.992 10 10 CBCE Cn1[nH]c(=O)c(=O)nc1Sc1ncc(CCN)s1 2037818147 RCNPNPOFBQGMQV-UHFFFAOYSA-N 285.354 -0.423 10 10 CBCE CO[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1N 2058639173 MWTAFHMFOAWQIK-KWQFWETISA-N 252.270 -0.104 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)[C@H](O)C1 2132165405 LFIOJWPJXRDZLN-ZYHUDNBSSA-N 267.281 -0.406 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C(=O)NC[C@@H]2C(=O)O)cc1 2144406819 QFHKKSPCQROULY-ONGXEEELSA-N 277.280 -0.873 10 10 CBCE O=c1c2c(ccn1C[C@H](O)CN1CCCC1)CCNC2 2150799772 KJGXPQUGHCYDQS-CYBMUJFWSA-N 277.368 -0.049 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@H]1O)[C@H]1CNc2ccccc2N1 2165083583 RJBDATRPDHHPJU-BXGBBSSXSA-N 277.324 -0.107 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@H]1O)[C@@H]1CNc2ccccc2N1 2165083592 RJBDATRPDHHPJU-OQCKYNKVSA-N 277.324 -0.107 10 10 CBCE Nc1ccc(OCC(=O)N2CCS(=O)(=O)CCN2)cc1 2191717799 ZHPDUKHLJUYPIW-UHFFFAOYSA-N 299.352 -0.591 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@@H]1NC(=O)Cc1ccc(N)cc1 2207463277 DGPWREQFULVUQZ-RYUDHWBXSA-N 298.364 -0.261 10 10 CBCE COc1ccc(N2CCN(CCO)C(=O)C2)c(CN)c1 2235955953 WEFONGQUOOSHIX-UHFFFAOYSA-N 279.340 -0.205 10 10 CBCE COC(=O)CCNC(=O)[C@@H](N)c1cccc(O)c1O 83496894 OOYOGVVTAMDYHV-JTQLQIEISA-N 268.269 -0.223 10 10 CBCE COC[C@@H](ONC(=O)c1cccc(O)c1O)C(=O)O 709601563 SFPVWAVWSDNJEE-MRVPVSSYSA-N 271.225 -0.141 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(O)nc2=O)[C@@H](O)[C@H]1F 1614606279 ISWXDJFQYOARQG-VOQBNFLRSA-N 287.207 -0.824 10 10 CBCE O=C(NCc1cc(O)ccc1O)[C@]1(O)CCOC1 1643882258 REUAYBXTCHODDM-LBPRGKRZSA-N 253.254 -0.135 10 10 CBCE CN(CCO)C(=O)CCN1C(=O)CSC1=S 1865765842 MUTNPPMIIVDODT-UHFFFAOYSA-N 262.356 -0.313 10 10 CBCE O=C(CN1CC(O)(CO)C1)c1ccc(O)c(O)c1 2051960574 RAVCCIXCQMPMOQ-UHFFFAOYSA-N 253.254 -0.681 10 10 CBCE O=C(CO)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2061442761 JLXDXLCBWFZAGS-ZETCQYMHSA-N 255.226 -0.798 10 10 CBCE Nc1ccc(CC(=O)NCC[C@@H](N)C(=O)O)cc1 2071726648 NAVQNHRPNZXTBW-SNVBAGLBSA-N 251.286 -0.271 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CNC[C@@H](O)C1 2155380654 VMCVMVDTNUGBRS-QWRGUYRKSA-N 280.324 -0.273 10 10 CBCE C[C@@H](N)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188918189 CCUUZFJHUNACDN-HQJQHLMTSA-N 282.296 -0.008 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)OC(F)(F)O2 2235075649 GVQIPQYDJVPQFD-VHSKPIJISA-N 289.234 -0.089 10 10 CBCE O=C(O)Cn1nnc(-c2cc(O)c(O)c(O)c2)n1 29340503 ISQLAWDMUCAAFD-UHFFFAOYSA-N 252.186 -0.459 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1C(=O)O 690086154 CRWJEMVTWMNIQZ-HTQZYQBOSA-N 282.252 -0.336 10 10 CBCE CC(=O)C(=O)COC(=O)c1cnc2c(c1)NC(=O)CN2C 860284179 BLSLPTRXQVGMKZ-UHFFFAOYSA-N 291.263 -0.215 10 10 CBCE COCCNCCNC(=O)COc1ccc(N)cc1 1876510375 AWXJSLYIRQYLMI-UHFFFAOYSA-N 267.329 0.000 10 10 CBCE Nc1ccc(CS(=O)(=O)Nn2cnnc2)cc1 1941863720 GVHIRBNLOAOIGX-UHFFFAOYSA-N 253.287 -0.066 10 10 CBCE Nc1ccc(CNCCCNS(N)(=O)=O)cc1 1995953000 TUCWWOGXZQDBEZ-UHFFFAOYSA-N 258.347 -0.458 10 10 CBCE COCCNCc1ccc(N2CC(O)(CO)C2)cc1 2115304545 YSBHUXDFCCPEBJ-UHFFFAOYSA-N 266.341 -0.034 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@]2(CO)C[C@]2(CO)C1 2146313305 IYQIFTDHGQWLHT-OKILXGFUSA-N 279.292 -0.085 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CC(S(C)(=O)=O)C3)cc21 2152281439 PHODKSPMAZMJOH-LBPRGKRZSA-N 296.348 -0.070 10 10 CBCE O=C(N[C@H]1CN[C@]2(CCOC2)C1)c1cc(O)nc(O)c1 2155204270 XQJWUWQCTKWEAJ-NOZJJQNGSA-N 279.296 -0.256 10 10 CBCE N[C@@H]1C[C@H](O)[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188921053 ANWBBFULBNNJDO-VGMNWLOBSA-N 282.296 -0.369 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(OC)c1 2333691793 VXNWRGXNMMNAKI-LOWVWBTDSA-N 269.297 -0.394 10 10 CBCE CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNc3ccccc3N2)C1 2353970430 WLSHRMCDOZUDPG-YNEHKIRRSA-N 276.340 -0.316 10 10 CBCE O=C1Nc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc2[C@H]1O 2354474675 QCGDYPAUJMUPSJ-QQFYMYEKSA-N 276.292 -0.398 10 10 CBCE CN(CC(N)=O)c1cc2c(cc1N)OCC(=O)N2 35453294 QIMDJOSIOOCBHG-UHFFFAOYSA-N 250.258 -0.479 10 10 CBCE COC(=O)CS(=O)(=O)NCc1cc(N)ccc1O 42533737 RFWLLDIXODYWPS-UHFFFAOYSA-N 274.298 -0.433 10 10 CBCE N[C@H](C(=O)NC[C@H](O)CO)c1cccc(F)c1O 83429645 ZKEUAWOFNHTNGJ-RCOVLWMOSA-N 258.249 -1.000 10 10 CBCE COC(=O)C(NCc1ccc(O)c(O)c1)C(=O)OC 106305286 PLGDXAUXOWJNNN-UHFFFAOYSA-N 269.253 -0.098 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC1=O 113508041 XQFMNMOLYDHVLW-GFCCVEGCSA-N 260.297 -0.083 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@H](O)C1 399972862 FRXFXWHMUISICA-SECBINFHSA-N 253.254 -0.069 10 10 CBCE Nc1ccc(OCC(=O)NCC2CS(=O)(=O)C2)cc1 701893200 WCNFDKGGFHHJLZ-UHFFFAOYSA-N 284.337 -0.192 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC/C=C/CO 717476507 YXWHRKDPRFSVAM-YOLVWIGZSA-N 266.297 -0.368 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)ccc1CN 2081034142 GADQZWYVFGWBQN-AVGNSLFASA-N 252.314 -0.644 10 10 CBCE NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccc(O)c1O 2118154616 JLOWYCFFDOCGPE-XPUUQOCRSA-N 266.253 -0.842 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2136584243 HMMSLRCDCNNTDU-AKZRSSKFSA-N 262.265 -0.099 10 10 CBCE NC(=O)NC1CN(c2cc3c(cc2N)OCC(=O)N3)C1 2163217314 RTKSQYSQMMHYKY-UHFFFAOYSA-N 277.284 -0.543 10 10 CBCE C[C@@H](NC(=O)CCOc1ccc(N)cc1)C1(O)CNC1 2191681907 DHDMEXYFPDDEQS-SNVBAGLBSA-N 279.340 -0.123 10 10 CBCE N[C@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@H](CO)C3)ccc21 2289403884 KOUWZAGQLZSJMX-HJPIBITLSA-N 278.352 -0.217 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CO)ccc21 2332924483 MXHQAZNGNXEFLP-RQJABVFESA-N 264.325 -0.465 10 10 CBCE Cn1nc(NCc2cc(N)ccc2O)c(=O)n(C)c1=O 37671387 OUDVPZBMUIPCLF-UHFFFAOYSA-N 277.284 -0.621 10 10 CBCE N[C@H](c1nnc([C@@H](O)C(=O)O)o1)c1ccccc1O 83480491 VNZSGVLCJPWNCP-JGVFFNPUSA-N 265.225 -0.059 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1CCC[C@H](N=[N+]=[N-])C1 403637186 AANNMEZSOIZKAK-QMMMGPOBSA-N 290.349 -0.316 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@]2(N)CCOC2)cc1 1876512656 FZJVUPGDONKPHJ-ZDUSSCGKSA-N 265.313 -0.118 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)C(F)(F)C1 2034602614 UJNSPYPZZIXBPK-LURJTMIESA-N 260.196 -0.055 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H](O)[C@@H](O)C1 2068405610 HDMLVFAKUSHRCO-KOLCDFICSA-N 253.254 -0.335 10 10 CBCE C[C@H](CS(N)(=O)=O)NC(=O)Cc1ccc(O)c(O)c1 2096641319 DSOXCGXDOICYIO-SSDOTTSWSA-N 288.325 -0.567 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2NCCO[C@H]2C1 2097691852 CZOCUYKOHAKLAV-ONGXEEELSA-N 264.281 -0.089 10 10 CBCE Oc1c(F)cc(F)cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2108826147 SNWRISYNRDUZDG-DMWPJOQESA-N 275.251 -0.385 10 10 CBCE O=C(NC[C@@]1(O)CCCOC1)c1cc(O)nc(O)c1 2111795740 OZHMINIAERYXMU-LBPRGKRZSA-N 268.269 -0.236 10 10 CBCE Nc1ccc(OCc2cn(C[C@@H](O)CO)nn2)cc1 2122750116 BBTZBUYKGIETOB-LLVKDONJSA-N 264.285 -0.208 10 10 CBCE O=C1Nc2cc(N3CCC[C@@H]3[C@H](O)CO)ccc2[C@@H]1O 2179743323 ONRHAWNOJGROBB-UPJWGTAASA-N 278.308 -0.006 10 10 CBCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2O 2181218511 YRKTWNTWSZSBJG-QJPTWQEYSA-N 278.308 -0.008 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(CO)c1 2227675865 NBTYHUVVAKQUID-AVGNSLFASA-N 269.297 -0.910 10 10 CBCE CC[C@@H]1SC(=S)N(CC(=O)NCCO)C1=O 11635700 QGKJDIPMXKEUPU-LURJTMIESA-N 262.356 -0.266 10 10 CBCE COc1cccc(CN2CCNC[C@@H]2C(N)=O)c1O 88659492 MITCDJIWFDVYQA-SNVBAGLBSA-N 265.313 -0.340 10 10 CBCE Nc1ccc(CC(=O)NCCCCS(N)(=O)=O)cc1 311896580 PDICTKQRDXZRCX-UHFFFAOYSA-N 285.369 -0.004 10 10 CBCE Cc1cc(O)ccc1NS(=O)(=O)C[C@H](N)C(=O)O 691742607 LHBBDBMQHQJUNS-QMMMGPOBSA-N 274.298 -0.146 10 10 CBCE CN[C@H](C)c1ccc(N(CC(N)=O)CC(N)=O)cc1O 723171546 SJYJMQPOOVBNQL-MRVPVSSYSA-N 280.328 -0.550 10 10 CBCE C[C@]1(CO)CNCCN1C(=O)Cc1ccc(N)cc1 1876481714 AICPEDJEXRYLQS-CQSZACIVSA-N 263.341 -0.006 10 10 CBCE C[C@H](NCCNS(N)(=O)=O)c1cc(F)ccc1O 2039801868 QQCODOPRLDBCKM-ZETCQYMHSA-N 277.321 -0.025 10 10 CBCE CN(Cc1ccccc1O)C[C@@]1(O)CNC[C@H]1O 2072467629 UXALDGWZBQMYHP-OLZOCXBDSA-N 252.314 -0.481 10 10 CBCE CS[C@H]1CNC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2084772358 MJHVSWBYLAXHQD-YUMQZZPRSA-N 269.326 -0.074 10 10 CBCE Nc1ccc(OCCNS(=O)(=O)c2nc[nH]n2)cc1 2122587965 GFCRPEQFOOOXCU-UHFFFAOYSA-N 283.313 -0.256 10 10 CBCE O[C@H]1[C@@H](NCc2ccc3c(c2)CCCO3)C[C@@H](O)[C@H]1O 2165122402 MHYDCDZSXJOTTF-MYZSUADSSA-N 279.336 -0.044 10 10 CBCE CCOC1(CN)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188914319 ZREUYNXZKKZGAN-UHFFFAOYSA-N 282.296 -0.007 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@]2(O)CCCNC2)cc1 2201304975 KRHLJQICTSMZJD-ZDUSSCGKSA-N 299.396 -0.197 10 10 CBCE COc1ccc(CNC(=O)[C@H](O)CCN)c(O)c1 83398227 TYFAZYPQPYVPDK-SNVBAGLBSA-N 254.286 -0.273 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H](CN)C1 122572618 RSXFCWDVLSJGHM-VIFPVBQESA-N 266.301 -0.792 10 10 CBCE O=C(NC[C@@H]1CNC[C@@H]1O)c1cccc(O)c1O 702849350 BHEATLWHKGNOOW-XVKPBYJWSA-N 252.270 -0.592 10 10 CBCE O=C(N[C@H]1CCOC[C@@H]1O)c1cccc(O)c1O 706743275 ACADLUMUPGZHFO-WPRPVWTQSA-N 253.254 -0.023 10 10 CBCE N[C@@]1(CNC(=O)c2cccc(O)c2O)CCOC1 711184013 XPXAUPZSEZHARU-GFCCVEGCSA-N 252.270 -0.055 10 10 CBCE COc1cccc(CN[C@H]2CC(=O)NC2=O)c1O 2034958201 QJOPNGHFFAWJJU-QMMMGPOBSA-N 250.254 -0.095 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2104425621 QTAQWLFZDVWXKQ-DGFQIJBJSA-N 262.309 -0.236 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@@H]1C(=O)O 2144019983 QSVHALGPODNUPP-UFBFGSQYSA-N 281.264 -0.001 10 10 CBCE O=C(O)C1=C[C@@H](O)[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2188069216 ZASFWQVFARLCHF-WCBMZHEXSA-N 279.248 -0.028 10 10 CBCE Cn1cc(CCNC(=O)c2cc(O)c(O)c(O)c2)nn1 2188922345 HCBWWTQYTUCIIO-UHFFFAOYSA-N 278.268 -0.096 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1(CO)CCNCC1 2190273268 IBXNOSUDGNRRNK-UHFFFAOYSA-N 280.324 -0.129 10 10 CBCE NCCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486842 QLKZYHAMOAGABF-MRVPVSSYSA-N 268.269 -0.442 10 10 CBCE O=C(CN1CC[C@@](O)(CO)C1)c1ccc(O)c(O)c1 313693633 JTRHQWGAOLOPMV-ZDUSSCGKSA-N 267.281 -0.290 10 10 CBCE Cn1nnc(CNC(=O)[C@@H]2CNc3ccccc3N2)n1 398077963 JGQUDOUZOPJQMG-JTQLQIEISA-N 273.300 -0.268 10 10 CBCE CC(=O)C(=O)[C@@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 1919245473 WDRLVWXMWBYTME-PRHODGIISA-N 273.285 -0.201 10 10 CBCE Cn1cc(S(=O)(=O)NCc2ccccc2O)nn1 2027811541 CXHQNUMBHJTKGE-UHFFFAOYSA-N 268.298 -0.001 10 10 CBCE O=C1C[C@H](NC(=O)c2cccc(O)c2O)C(=O)N1 2034959026 WNLFGAXMTGITKA-LURJTMIESA-N 250.210 -0.757 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)CO2)cc1 2052294394 IPEOAHMEQYCPIP-WDEREUQCSA-N 254.286 -0.383 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](F)[C@H](O)C1 2068566249 IRHDCCGZLLNBHP-IMTBSYHQSA-N 257.217 -0.042 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1O)c1cc(O)c(O)c(O)c1 2068575434 CNSIPRAPBHACRK-MUWHJKNJSA-N 255.226 -0.707 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC[C@H]2N)cc1 2071690342 PVTFSUVJHQYHMH-GHMZBOCLSA-N 271.342 -0.586 10 10 CBCE Cc1cccc(CNC(=O)C2(CO)CNC2)c1O 2084057062 PBVXLPQZRJITQZ-UHFFFAOYSA-N 250.298 -0.101 10 10 CBCE O=C(O)C[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 2087721578 ASMDQFWAXWYXSF-MRVPVSSYSA-N 269.253 -0.408 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC[C@@H]2CO)cc1 2090326140 UWMYRALLCLPNHA-CMPLNLGQSA-N 286.353 -0.305 10 10 CBCE O=C(N[C@@H](C(=O)O)C1COC1)c1ccc(O)c(O)c1 2104892974 SSEGKXBEIMVOJK-SNVBAGLBSA-N 267.237 -0.073 10 10 CBCE O=C(N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cccc(O)c1O 2118058133 WJFMUFMTSSQWCP-MBTKJCJQSA-N 283.305 -0.129 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2127710098 PJHMVMAUKUWSAO-NSHDSACASA-N 262.313 -0.804 10 10 CBCE O=C(N[C@@H]1CCCNC1=O)c1cc(O)c(O)c(O)c1 2132351403 XDNVESJEVJGTQD-SSDOTTSWSA-N 266.253 -0.188 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2136337986 CRBIFGCOVHKWGU-SRVKXCTJSA-N 290.722 -0.160 10 10 CBCE COC1(C(=O)O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188867454 AOVBENNRUUTPFV-UHFFFAOYSA-N 283.236 -0.271 10 10 CBCE CO[C@H]1CNCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926715 AWEPMQIXPRNPEI-KWQFWETISA-N 282.296 -0.090 10 10 CBCE COc1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)c1 2200861406 MADUSEZWLJSMJE-QJPTWQEYSA-N 283.280 -0.609 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]1[C@@H](O)CO 2258325469 ICHUGJJJVUKGDW-YUMQZZPRSA-N 254.242 -0.940 10 10 CBCE COCCNS(=O)(=O)Nc1ccc(O)cc1C(=O)O 128464202 LWSHZZKQMPOFRE-UHFFFAOYSA-N 290.297 -0.017 10 10 CBCE Nc1ccc(OCCN2C[C@H](O)[C@@H](CO)C2)cc1 316085980 JFCBGBOQDTZCJI-MFKMUULPSA-N 252.314 -0.067 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCC1(CO)CO 1879996249 NSJMTVJHLWHIOQ-UHFFFAOYSA-N 267.281 -0.404 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(F)cc2O)C1 2084167057 XGVGXMNFNUEWHB-MWLCHTKSSA-N 275.301 -0.221 10 10 CBCE C[C@@H]1CN[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CN1 2148011031 XBYQJXRHLBLWPT-MWLCHTKSSA-N 279.340 -0.294 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O 169430779 KTOLOIKYVCHRJW-BMLSCUAFSA-N 286.223 -0.948 10 10 CBCE COCCNC(=O)[C@H](C)NC(=O)COc1ccc(N)cc1 228892975 OQTQDRIEEYLXNG-JTQLQIEISA-N 295.339 -0.085 10 10 CBCE Oc1cc2c(cc1CN[C@H]1COC[C@@H]1O)OCO2 323276095 KFXQNIXUIRBVHC-WPRPVWTQSA-N 253.254 -0.030 10 10 CBCE O=C(NC[C@H]1C[C@H](C(=O)O)CO1)c1cc(O)nc(O)c1 713953356 HOFKBCSUEYPOGJ-JGVFFNPUSA-N 282.252 -0.288 10 10 CBCE C[C@@]1(CO)CNCCN1C(=O)c1ccc(O)c(O)c1 719181093 NVVHZFYUZDYYIZ-ZDUSSCGKSA-N 266.297 -0.106 10 10 CBCE COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](C)O 1455710410 ZBWXPEWSDPXCBG-KRTXAFLBSA-N 283.280 -0.321 10 10 CBCE CNC(=O)CCNC(=O)Cc1ccc(O)c(O)c1 1586363843 GAIXXOQMRJJWGR-UHFFFAOYSA-N 252.270 -0.107 10 10 CBCE CN(Nc1nc(CC(=O)O)cs1)S(C)(=O)=O 1901373096 GLLKJWQTLFPTRK-UHFFFAOYSA-N 265.316 -0.012 10 10 CBCE NCC1(NC(=O)COc2ccc(N)cc2)COC1 2071731134 MVWXXRQBNDGVQW-UHFFFAOYSA-N 251.286 -0.509 10 10 CBCE O=C(NCc1ccccc1O)C(F)(F)C1(O)CNC1 2110636402 KSBATGFGJKXRBZ-UHFFFAOYSA-N 272.251 -0.022 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC(CO)(CO)C1 2188868530 SOQMJEWTDJPRGY-UHFFFAOYSA-N 283.280 -0.380 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CCC[C@H]2O 2201007133 RHEFVQWVIVDVGH-KBUPBQIOSA-N 279.336 -0.041 10 10 CBCE N[C@@H](c1ccc(O)c(O)c1)c1nnc([C@H](O)CO)o1 83494122 YHVHAXPOSZQMRA-BDAKNGLRSA-N 267.241 -0.445 10 10 CBCE CS(=O)(=O)NCCNC(=O)[C@@H]1CNc2ccccc2N1 229877364 CXLQKQFKHLHJRZ-NSHDSACASA-N 298.368 -0.442 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)Nc2ccc(N)cc2)C1 389082730 BIZHMMVLKIZKOI-LBPRGKRZSA-N 264.285 -0.277 10 10 CBCE CN(CCS(N)(=O)=O)C(=O)c1ccc(O)c(O)c1 719720152 NKWRFNPWBOMSLG-UHFFFAOYSA-N 274.298 -0.542 10 10 CBCE CC(=O)C(=O)COC(=O)CNC(=O)OCC(F)(F)F 808507069 XQYONRDNDSSHKD-UHFFFAOYSA-N 285.174 -0.024 10 10 CBCE O=C1CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C(=O)N1 1148589714 IJOYJFRRAHOWTO-LURJTMIESA-N 280.236 -0.662 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](N)C[C@@H](O)C1)OCCO2 1876394773 FCVRQQCSBKGPHT-DTWKUNHWSA-N 265.313 -0.062 10 10 CBCE CN(CCN=[N+]=[N-])S(=O)(=O)N1CCC[C@@H]1CO 1998666539 FZHWAKCVXBYHMP-MRVPVSSYSA-N 263.323 -0.070 10 10 CBCE COC(=O)c1cnn2c(O)cc(CC(=O)O)nc12 2080933389 JTKHFEOJWVUJMI-UHFFFAOYSA-N 251.198 -0.151 10 10 CBCE NCCC(CCN)NC(=O)c1cc(O)nc(O)c1 2084907234 JHZQSWKFDFJJDQ-UHFFFAOYSA-N 254.290 -0.711 10 10 CBCE COC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132349087 YEQMMLUNRXIESP-LURJTMIESA-N 271.225 -0.367 10 10 CBCE CN1C[C@H](O)[C@H](NC(=O)[C@H]2CNc3ccccc3N2)C1 2146526647 WLSHRMCDOZUDPG-UPJWGTAASA-N 276.340 -0.316 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H](O)C[C@@H](O)C3)cc21 2161394332 QGTFWSUXVOWQAT-GBIKHYSHSA-N 278.308 -0.372 10 10 CBCE C[C@H](O)[C@@H]1C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2182274827 IOGXKZWIZSWOGC-ASXGKARISA-N 280.324 -0.147 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2NCC[C@@H](O)[C@@H]2O)c1O 2204622007 OLCNMNNCXUPDCR-WZRBSPASSA-N 280.324 -0.599 10 10 CBCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CC(O)C1 2213598311 SMLFOFVZQIBFAK-SFYZADRCSA-N 261.307 -0.271 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@](O)(CO)[C@@H](O)C1 2234108581 VMKDUUKDFQQPDB-GWCFXTLKSA-N 283.280 -0.972 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2260758381 FHBCYOHOVFDEDQ-WCFLWFBJSA-N 253.298 -0.671 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@H]1NCC[C@@H](O)[C@H]1O 2356111216 ARVZEDUTUFDQTN-FRRDWIJNSA-N 280.324 -0.566 10 10 CBCE Nc1ccc(OCC(=O)N2CCO[C@@H](CO)C2)cc1 167705791 XLZDJLKDGTUVEB-GFCCVEGCSA-N 266.297 -0.133 10 10 CBCE N[C@H]1CCOC[C@@H]1NC(=O)c1ccc(O)c(O)c1 710981150 HPKVNXJMGHGHKW-IUCAKERBSA-N 252.270 -0.056 10 10 CBCE Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H](O)C2)c(O)c1O 780955226 LPNPUKAMWVGPKB-DTORHVGOSA-N 267.281 -0.026 10 10 CBCE NC(=O)[C@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1 1639986984 OCLFLAYAUNJOHT-XCRNYIDWSA-N 266.253 -0.927 10 10 CBCE O=S(=O)(NCc1ccccc1O)N1CC[C@H](O)C1 1914124910 VBUBEPWISBGLNT-JTQLQIEISA-N 272.326 -0.207 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 2021032340 WXYYZLZEODNXKR-LURJTMIESA-N 259.291 -0.122 10 10 CBCE Nc1ccc(CN2CCOC[C@@H]2[C@@H](O)CO)cc1 2029654093 JIELAXLDGGTCLH-OLZOCXBDSA-N 252.314 -0.177 10 10 CBCE O=C1C[C@@H](NCc2cc3c(cc2O)OCO3)C(=O)N1 2096085142 ZWUJQRZPLMRFHV-SSDOTTSWSA-N 264.237 -0.374 10 10 CBCE NC[C@@H]1C[C@H](CNC(=O)c2cc(O)nc(O)c2)CO1 2102873785 VEDXJBXZVBQGBD-APPZFPTMSA-N 267.285 -0.414 10 10 CBCE O=C(CN1C[C@H](O)[C@@H]2COC[C@@H]21)c1ccc(O)c(O)c1 2158386130 IPVGOWMMZYBNOL-BFVZDQMLSA-N 279.292 -0.028 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CO 2232102387 KOYXPXRIKMZZDH-NZPIUUIZSA-N 267.325 -0.049 10 10 CBCE CC[C@@H](NC(C(N)=O)C(N)=O)c1ccccc1O 695342075 MBFAGXMWOYYPMM-MRVPVSSYSA-N 251.286 -0.228 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H](O)C[C@@H]3CO)cc21 698137844 MIBVSIUILVAFMY-GBIKHYSHSA-N 278.308 -0.372 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@H]1COC[C@H]1O 708721568 VZXJOUKLHAXAQW-QJPTWQEYSA-N 264.281 -0.132 10 10 CBCE NC(=O)N[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723173632 MFMUKWYINFTXLD-WRWORJQWSA-N 275.312 -0.115 10 10 CBCE O=C1CC[C@H](C(=O)NCc2cccc(O)c2O)N1 1123977916 MLAJHTCIIYVJIN-MRVPVSSYSA-N 250.254 -0.007 10 10 CBCE CCOC(=O)C1(NCCN=[N+]=[N-])CS(=O)(=O)C1 1912173873 RSZZMYZZUDXENJ-UHFFFAOYSA-N 262.291 -0.383 10 10 CBCE N[C@@]12C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2068618908 UVQAACONDVWZNC-JMCQJSRRSA-N 250.254 -0.023 10 10 CBCE O=C(N[C@H]1CCOC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132350166 LHZABFDLZADBBD-XVKPBYJWSA-N 269.253 -0.317 10 10 CBCE NC(=O)CC[C@@H]1NC(=O)N(c2ccc(N)cc2)C1=O 2141184503 BEMPIXBCYWRENM-VIFPVBQESA-N 262.269 -0.041 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](CO)[C@@H](CCO)C1 2149911192 FLFSTPRPSDZRAW-WCBMZHEXSA-N 282.296 -0.444 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@H]2O 2182527585 DKIHCIDWLUCJOD-VVJJBPBLSA-N 279.292 -0.089 10 10 CBCE O=C(N[C@@]12CC[C@@](CO)(C1)OC2)c1cc(O)nc(O)c1 2190182115 SKMQYUMVFKDZIX-STQMWFEESA-N 280.280 -0.093 10 10 CBCE COc1ccc(N2CCC[C@@](O)(C(N)=O)C2)c(CN)c1 2235966885 ZARPYENGKSXMQW-AWEZNQCLSA-N 279.340 -0.030 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](CO)C[C@@H](CO)C1 2236629190 OFAWNFGSLDSYMS-RKDXNWHRSA-N 282.296 -0.444 10 10 CBCE COc1cc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)ccc1CO 2289482925 JGBKRSYPSUWCAV-VHRBIJSZSA-N 283.324 -0.662 10 10 CBCE N[C@H](C(=O)NC[C@@H](O)CO)c1cc(F)ccc1O 83429638 IEBCVODGTGITQF-XCBNKYQSSA-N 258.249 -1.000 10 10 CBCE O=C(O)CNC(=O)CNC(=O)c1cccc(O)c1O 125996412 QMQZCLLTCWIUNC-UHFFFAOYSA-N 268.225 -0.972 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1nnns1 127565954 PHJDMWWDDHJDEA-LURJTMIESA-N 281.297 -0.147 10 10 CBCE CC1CCN(C(=O)C[C@H]2C(=O)NN(C)C2=O)CC1 169995589 LTIQEWYGRARVGI-VIFPVBQESA-N 253.302 -0.246 10 10 CBCE C[C@H](c1cc(O)ccc1O)N1CCNC[C@H]1C(N)=O 251347969 FQFPHUUBQVBAKB-KCJUWKMLSA-N 265.313 -0.082 10 10 CBCE CC(C)(N=NC(C)(C)C(=O)NCCO)C(=O)NCCO 263611132 WVFLGSMUPMVNTQ-UHFFFAOYSA-N 288.348 -0.787 10 10 CBCE O=C(CN1CC[C@H](O)[C@H](CO)C1)c1ccc(O)c(O)c1 396848366 JBJISEATXIFOEF-QWRGUYRKSA-N 281.308 -0.044 10 10 CBCE CN(C)C[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 702174529 MIFLNIDMRLBPJS-SSDOTTSWSA-N 269.257 -0.763 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)[C@@H](CO)C1 705330050 MRBGQABOELCCMR-DTORHVGOSA-N 268.269 -0.834 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CO[C@@H]3CNC[C@H]23)cc1 1876489487 RCXOMHISQFEQJX-JHJVBQTASA-N 261.325 -0.086 10 10 CBCE COc1ccc(N2CC(OCC(N)=O)C2)c(N)c1 2028710044 KAEJMABZZOWMPP-UHFFFAOYSA-N 251.286 -0.032 10 10 CBCE Cn1c(O)nc(Sc2ncc(CCN)s2)nc1=O 2040423973 SNNKRQPDWRDUMI-UHFFFAOYSA-N 285.354 -0.010 10 10 CBCE O=C(N[C@]1(CO)CCOC1)c1cc(O)c(O)c(O)c1 2132348935 VRIGMADDGJHNKA-LBPRGKRZSA-N 269.253 -0.315 10 10 CBCE CN(OCC(=O)O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2145977590 CLXHRWNDJMFVAU-QMMMGPOBSA-N 284.268 -0.558 10 10 CBCE CO[C@H]1C[C@@H](N)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188908251 BCVNIFYXUKZEPU-BDAKNGLRSA-N 282.296 -0.008 10 10 CBCE O=C(N[C@@H]1CNCC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2188920852 YWLUHAQAOFSSBA-VXNVDRBHSA-N 282.296 -0.496 10 10 CBCE COc1cccc(O)c1CN1C[C@H](O)[C@H](O)[C@@H]1C(=O)O 2200856933 DMNKAXZMSDGHEF-WCQGTBRESA-N 283.280 -0.609 10 10 CBCE COCCNCc1ccc(N(CC(N)=O)CC(N)=O)cc1 62738310 IOBAYSJGDHUMRO-UHFFFAOYSA-N 294.355 -0.800 10 10 CBCE [N-]=[N+]=NCCNC1(C(=O)O)CCS(=O)(=O)CC1 90256616 WIWWOWRGYJWZGN-UHFFFAOYSA-N 262.291 -0.082 10 10 CBCE Cn1ccc(=O)n(CC(=O)Nc2ccc(N)cc2)c1=O 111545619 FNJZFHTUBFAFHM-UHFFFAOYSA-N 274.280 -0.232 10 10 CBCE NC(=O)[C@@]1(O)CCN(c2cc3c(cc2N)OCCO3)C1 312428775 IATRQGHRJRHKGG-CYBMUJFWSA-N 279.296 -0.534 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC(CO)(CO)C1 721012170 GJBPQJHEMFLYOJ-UHFFFAOYSA-N 253.254 -0.475 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CNC[C@H]2O)cc1 1876401374 NWFCDVWNTDPVOC-CMPLNLGQSA-N 285.369 -0.732 10 10 CBCE O=C1C[C@@H](c2cc(O)c(O)c(O)c2)[C@@H](C(=O)O)N1 1951858178 FKMRWKBJPKJBMR-CDUCUWFYSA-N 253.210 -0.140 10 10 CBCE O=C(NC[C@@H]1CCS(=O)(=O)N1)c1cccc(O)c1O 1965261081 BYWIGPSUHBDUKF-ZETCQYMHSA-N 286.309 -0.481 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCCC3(CO)CO)ccc21 2146075582 DRZRIDYXFPOUHZ-GFCCVEGCSA-N 277.324 -0.038 10 10 CBCE Nc1ccc(CC(=O)N2CCOC[C@H]2[C@@H](O)CO)cc1 2146322814 FPAHFAPDGWCFJN-STQMWFEESA-N 280.324 -0.608 10 10 CBCE C[C@]1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3O)CC[C@H]1O 2201542521 HSNSMRYWAYDCIF-BZPMIXESSA-N 278.308 -0.006 10 10 CBCE N=c1nnc(OCCNCc2ccsc2)n[nH]1 2213786872 DHQFVXKNBSXJLD-UHFFFAOYSA-N 252.303 -0.091 10 10 CBCE CCOc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2219580263 RCARXFMRIMPYLH-RWMBFGLXSA-N 253.298 -0.012 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(C=O)c1 2235986731 NUHQSNHJKYXLSN-OLZOCXBDSA-N 279.292 -0.182 10 10 CBCE CNCCCNC(=O)[C@H](N)c1cccc(O)c1O 83395681 PNDXADCOSKBJJY-SNVBAGLBSA-N 253.302 -0.177 10 10 CBCE C[C@H](O)CNC(=O)[C@H](N)c1ccc(O)c(O)c1O 83414135 HHEXHZPJSJZMMG-YLWLKBPMSA-N 256.258 -0.700 10 10 CBCE CN1C(=O)C[C@@H](NCc2ccc(O)cc2O)C1=O 88775302 FCCWEQPJDYDQKJ-SECBINFHSA-N 250.254 -0.055 10 10 CBCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1cn(CCCO)nn1 90639309 BURIJRIVPILSJG-SECBINFHSA-N 282.308 -0.523 10 10 CBCE N[C@@H]1CCOC[C@H]1NC(=O)c1cc(O)nc(O)c1 721622298 IGUOZIHNOCWXMH-HTQZYQBOSA-N 253.258 -0.661 10 10 CBCE CO[C@@H]1CNC[C@H]1NC(=O)c1cc(O)nc(O)c1 1084386476 LDGYYGXNKRHYAQ-HTQZYQBOSA-N 253.258 -0.791 10 10 CBCE CC(=O)NCCNC(=O)CN1CC[C@H](N=[N+]=[N-])C1 1912177277 DFWHZCKFKRBFPQ-VIFPVBQESA-N 254.294 -0.377 10 10 CBCE CN1C[C@H](O)[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 2090341167 WZCAHVIERWRAFY-NEPJUHHUSA-N 285.369 -0.637 10 10 CBCE NC(=O)NC1CN(C(=O)COc2ccc(N)cc2)C1 2106928829 YLUCQJSDJXUJSV-UHFFFAOYSA-N 264.285 -0.473 10 10 CBCE CN(C)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 2146133892 YJSRUCNKRDXZOF-ZWNOBZJWSA-N 280.324 -0.226 10 10 CBCE COC1(CO)CN(C[C@@H](O)COc2ccc(N)cc2)C1 2157304525 RRTBIGYKSIFCIO-GFCCVEGCSA-N 282.340 -0.298 10 10 CBCE O=C(O)CN1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2169328075 USYLVZOXTFYGEK-VIFPVBQESA-N 280.280 -0.014 10 10 CBCE CC1(C)C[C@H](O)[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2188672061 GGGZXQHPCQDOEM-IUCAKERBSA-N 282.296 -0.161 10 10 CBCE Oc1ccc(-c2noc([C@@H]3NC[C@@H](O)[C@@H]3O)n2)cc1O 2200872266 HKKVABAXIIMKQM-BBBLOLIVSA-N 279.252 -0.486 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2260865031 LNVVQPMLRQEQOM-XDTLVQLUSA-N 253.298 -0.155 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H](CO)C1 2353970677 NJKOASAVZQBMDI-DCAQKATOSA-N 280.324 -0.145 10 10 CBCE C[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC(=O)N1 395692527 BUEKCSWTOHPPNY-JMCQJSRRSA-N 260.297 -0.037 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](O)C[C@H]1CO 698206420 DFSDHAQQPQMRRP-KWBADKCTSA-N 277.324 -0.153 10 10 CBCE O=C1CN(Cc2c(O)cccc2F)[C@@H](C(=O)O)CN1 2136350006 JWXUYXFSUVRYTO-SECBINFHSA-N 268.244 -0.084 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@@H]4COC[C@H]43)ccc2[C@H]1O 2158390920 AAPSRHAFXHFAHT-FOUMNBMASA-N 276.292 -0.132 10 10 CBCE COc1ccc(O)c(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1 2177944793 OIAUJBXPBDQXPA-IMJCEVDSSA-N 283.324 -0.407 10 10 CBCE CC(C)(NC(=O)c1cc(O)c(O)c(O)c1)c1nn[nH]n1 2188913117 PEKNSFWGTGCRLW-UHFFFAOYSA-N 279.256 -0.018 10 10 CBCE C[C@H](NC(=O)[C@@H]1NCC[C@H](O)[C@@H]1O)c1ccccc1O 2192628228 NVXYQZLVFKURPO-KNDHEWATSA-N 280.324 -0.347 10 10 CBCE COc1cc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)ccc1CO 2289482924 JGBKRSYPSUWCAV-SCDSUCTJSA-N 283.324 -0.662 10 10 CBCE NC(=O)COCCNCc1ccc(O)c(O)c1O 230043125 MGBACPPMEXQILX-UHFFFAOYSA-N 256.258 -0.605 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@](O)(CO)C2)cc1 313643001 JTQNLPTXLHXGKP-GFCCVEGCSA-N 286.353 -0.472 10 10 CBCE C[C@](CS(C)(=O)=O)(NCCN=[N+]=[N-])C(=O)O 1980822322 XZNSPJLVQQTTNZ-SSDOTTSWSA-N 250.280 -0.226 10 10 CBCE COc1ccc(N(C)C[C@@]2(O)CNC[C@H]2O)cc1 2039437056 NBOZPHDOXZKKEV-OLZOCXBDSA-N 252.314 -0.173 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CNC3(CC3)CO2)C1 2064052787 XAUIOLDNLBWUEX-QXEWZRGKSA-N 252.314 -0.227 10 10 CBCE COc1cc(N2C[C@@H](O)[C@@H](CO)C2)ccc1CO 2084015460 FSYZROOORNNIEN-ZYHUDNBSSA-N 253.298 -0.023 10 10 CBCE Cc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c(O)c1 2084066369 ZSNXPFFRXIPQSR-LPTSXCQYSA-N 253.298 -0.355 10 10 CBCE C[C@@H](O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2087725745 ZFLRLVMYIIOVJG-KSBSHMNSSA-N 269.253 -0.410 10 10 CBCE CN1CCc2cc(CN3CC(N)(C(N)=O)C3)ccc21 2109491495 SGJGHPWFMFTMCR-UHFFFAOYSA-N 260.341 -0.323 10 10 CBCE COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)c(O)c1 2121364863 QVDQUAGLWVEMMX-ZYHUDNBSSA-N 287.337 -0.352 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 2161396640 LHDRWOMZGGCPOM-TXEJJXNPSA-N 280.324 -0.008 10 10 CBCE O=C1N[C@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]2NC1=O 2166790779 KOBJPZCGXNPJKU-UWVGGRQHSA-N 295.726 -0.156 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC[C@]2(O)CCNC2)cc1 2238461334 QSMXKVRQMIOSQE-CYBMUJFWSA-N 299.396 -0.197 10 10 CBCE CN(CC(N)=O)C[C@H](O)COc1ccc(N)cc1 37268046 MEWNWMJWZHLZDR-JTQLQIEISA-N 253.302 -0.574 10 10 CBCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 97319354 JFPJOKGVDKYGJS-ZYHUDNBSSA-N 288.307 -0.120 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1 698226861 IEXCQDYEMSXIQN-VXGBXAGGSA-N 265.313 -0.365 10 10 CBCE O=C(N[C@]1(CO)CCCNC1)c1cccc(O)c1O 711742029 KTJPQODOXLIKCV-CYBMUJFWSA-N 266.297 -0.058 10 10 CBCE CNC(=O)C1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C1 723159035 VTTDCXHQTKCIBP-LBPRGKRZSA-N 274.324 -0.155 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 723198964 NGHYYAQCHQKTGY-ZHAHWJHGSA-N 276.340 -0.271 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 803162210 BHRXAILGAPTHLI-XBPVQUQDSA-N 292.291 -0.440 10 10 CBCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)CO 1304471227 AUGBMLSCKOJXEW-FIFYQCSRSA-N 253.254 -0.420 10 10 CBCE CS(=O)(=O)CS(=O)(=O)N1CC(N=[N+]=[N-])C1 1912190653 HBNUKMLVIKWJGP-UHFFFAOYSA-N 254.293 -0.687 10 10 CBCE C[C@](O)(CCO)CNC(=O)c1ccc(O)c(O)c1 2045283213 PYLBSMSHGDUPKQ-LBPRGKRZSA-N 255.270 -0.039 10 10 CBCE O=C(NC1([C@@H](O)CO)CC1)c1cccc(O)c1O 2069746031 XCUHKWRQRIPFPS-VIFPVBQESA-N 253.254 -0.287 10 10 CBCE COc1ccc([C@@H](C)NCCNS(N)(=O)=O)c(O)c1 2101342605 NFDCOJGISRPGPP-MRVPVSSYSA-N 289.357 -0.156 10 10 CBCE C[C@H](O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 2117531667 QOLUETASJZMVMZ-CBAPKCEASA-N 268.269 -0.285 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2CNC(=O)O2)cc1 2129930677 ABPKIGASFMTDDM-SNVBAGLBSA-N 265.269 -0.128 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COC[C@H]1C(=O)O 2144030572 PUHWKDCYIYWHNG-BDAKNGLRSA-N 281.264 -0.144 10 10 CBCE Nc1ccc(CCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 2177852446 XFDIWJSWQHLKKG-RYUDHWBXSA-N 298.364 -0.525 10 10 CBCE C[C@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(F)c1 2184131113 JGHMHCWCHMDSKP-WRWORJQWSA-N 281.287 -0.331 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188922199 FMPQXQWKQKQUFR-AEKGRLRDSA-N 280.280 -0.352 10 10 CBCE C[C@@]1(O)CCN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 2197969329 YMHDQYJLXIXVNE-GXTWGEPZSA-N 280.324 -0.008 10 10 CBCE COc1cc(N2CC3(CNS(=O)(=O)C3)C2)ccc1CO 2204555612 ZLGNNOZADFLQRW-UHFFFAOYSA-N 298.364 -0.073 10 10 CBCE Cc1cc(N2CCNC(=O)[C@H]2C(N)=O)ccc1[C@H](C)N 2285143088 DHHCNPRZZDCCCQ-JOYOIKCWSA-N 276.340 -0.195 10 10 CBCE CN1CCc2cc(N3C[C@H](O)[C@H](O)[C@H](CO)C3)ccc21 2289357294 FSIBWCQDRLHMCO-TUKIKUTGSA-N 278.352 -0.171 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CNC[C@@H]1F 2320520496 IGUYUPFYIWLBIF-YUMQZZPRSA-N 255.249 -0.125 10 10 CBCE CNCCCNC(=O)[C@H](N)c1ccc(O)c(O)c1O 83513279 OOJSDHWCZFCKKF-SECBINFHSA-N 269.301 -0.471 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(CO)C1 227309645 SOZKOKMUGAAQJV-JTQLQIEISA-N 266.297 -0.582 10 10 CBCE CC1(C)C(=O)NC(=O)CN1C(=O)c1ccc(O)c(O)c1 232811182 RKOFNHYEOKIXEA-UHFFFAOYSA-N 278.264 -0.025 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](CO)[C@@H](CO)C3)ccc21 704795821 JKDRBRMUBUEKOZ-KKFJDGPESA-N 277.324 -0.325 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H](CO)[C@@H]1CO 709876219 UCUOHNLDNBAFKS-SCZZXKLOSA-N 282.296 -0.302 10 10 CBCE C[C@H](NCC(O)(CO)CO)c1cc(O)ccc1O 1913799507 QLDUTXGKHQTIPU-QMMMGPOBSA-N 257.286 -0.536 10 10 CBCE Nc1ccc(O)c(CN2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c1 2042550117 CKJUBMVWXYLHPY-UKWYHXRUSA-N 250.298 -0.100 10 10 CBCE Oc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1O 2046514115 KWONPLFKSOADST-KOMHVXODSA-N 255.270 -0.958 10 10 CBCE O=C(N[C@H]1CNCC[C@H]1O)c1cccc(O)c1O 2063330288 YQLOVNXTKPTJRB-DTWKUNHWSA-N 252.270 -0.450 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)[C@H](O)C1 2132348741 RIZVDDXHIVIAJM-OIBJUYFYSA-N 269.253 -0.629 10 10 CBCE NC(=O)COCCNC(=O)c1cc(O)c(O)c(O)c1 2132348877 UXCFVSSOIABINR-UHFFFAOYSA-N 270.241 -0.965 10 10 CBCE Oc1cc2c(cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O)OCO2 2165123585 PAMWFWJIUZZKAV-RUNRMZSQSA-N 283.280 -0.935 10 10 CBCE N[C@@H]1CCN(CC(=O)NCCc2ccc(O)c(O)c2)C1 2169305139 RWPNCVFGGYPLIT-LLVKDONJSA-N 279.340 -0.211 10 10 CBCE O=C(N[C@@H]1CCOC[C@H]1C(=O)O)c1cc(O)nc(O)c1 2176119520 CAOWSGAOBUCLAV-HTQZYQBOSA-N 282.252 -0.288 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@@]1(CO)CO2 2188868161 NAFDNYUZASWUKD-AMIZOPFISA-N 281.264 -0.221 10 10 CBCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)c1nn[nH]n1 2188874341 GHKQHKQDBNOKSA-RXMQYKEDSA-N 279.256 -0.150 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131406002 HQCRLQXCMCVRHJ-JMCQJSRRSA-N 288.307 -0.486 10 10 CBCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 312702979 RULUVDXFNZTHFT-MFKMUULPSA-N 276.296 -0.935 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C2=O)c(F)c1 1924758761 VWUKIBMHDSXUSL-YUMQZZPRSA-N 298.295 -0.058 10 10 CBCE Cn1nnc(CN)c1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049784046 FMXSIXVWQRLSTJ-LJGSYFOKSA-N 251.290 -0.847 10 10 CBCE CN(CC(CO)(CO)CO)c1ccc(CN)cc1 2059217499 TYYLJKKITYSVNL-UHFFFAOYSA-N 254.330 -0.455 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2CNC[C@H]12)c1cc(O)nc(O)c1 2121650255 PVHRICKHQDZGKV-IWSPIJDZSA-N 265.269 -0.791 10 10 CBCE COC[C@H](NC(=O)[C@H]1CNc2ccccc2N1)C(N)=O 2152365550 LHLHLRZTINQBTP-MNOVXSKESA-N 278.312 -0.491 10 10 CBCE Nc1ccc(CC(=O)N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2183645808 ZVPZGUZWXCDYAV-AAEUAGOBSA-N 278.308 -0.856 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(OC)c1 2226810797 VXNWRGXNMMNAKI-NTZNESFSSA-N 269.297 -0.394 10 10 CBCE OC[C@@]1(O)CCN(c2ccc3c(c2)OCCO3)C[C@@H]1O 2235094426 OSIIDRWPKARUSA-KBPBESRZSA-N 281.308 -0.248 10 10 CBCE CN1CCc2cc(N3C[C@H](O)[C@H](O)[C@@H](CO)C3)ccc21 2289357292 FSIBWCQDRLHMCO-BYCMXARLSA-N 278.352 -0.171 10 10 CBCE CCN(CCN=[N+]=[N-])S(=O)(=O)N1CC[C@@H](O)C1 2300532028 OZURDHHBTNKOJV-MRVPVSSYSA-N 263.323 -0.070 10 10 CBCE N=c1nnc(OC[C@H]2C[C@H]3CNC[C@H](C3)C2)n[nH]1 2320282620 UYVCLSMJQMLWNN-AYMMMOKOSA-N 250.306 -0.306 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@@H](n2ccc(N)nc2=O)O[C@@H]1CO 26173880 YIEFKLOVIROQIL-JKMUOGBPSA-N 252.234 -0.216 10 10 CBCE CNCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486849 GCSMKUUAXJAVKQ-QMMMGPOBSA-N 268.269 -0.571 10 10 CBCE COc1ccc(O)c([C@@H](N)C(=O)NCCCO)c1 83398458 JCCVOHHCACBWFA-LLVKDONJSA-N 254.286 -0.101 10 10 CBCE CNC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(N)cc1 159175754 LOEQOEOVVUKTSE-LBPRGKRZSA-N 277.324 -0.215 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCC[C@@H]1O 323236127 VFBVEMSAFSHIEM-DCAQKATOSA-N 280.324 -0.003 10 10 CBCE COCC1(O)CN(C(=O)c2ccc(O)c(O)c2)C1 395143224 AARMATURRJNAKJ-UHFFFAOYSA-N 253.254 -0.069 10 10 CBCE CC(=O)[C-]1C(=O)C(=O)[C@@H](S(=O)(=O)c2ccccc2)C1=O 1615951351 MJVBVEHLOUXYLZ-ZDUSSCGKSA-N 293.276 -0.287 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2N)cc1 1876444063 XOOOTPGRQZPQKU-VXGBXAGGSA-N 265.313 -0.120 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@H]2NCCO[C@@H]21 1968738840 GEGVAHCGDFPFOO-JHJVBQTASA-N 278.308 -0.257 10 10 CBCE O=C(O)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2031071094 REIQZGCVNSGCLI-UHFFFAOYSA-N 275.282 -0.356 10 10 CBCE CC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2068578680 UBCPCGLPYILVCJ-ZCFIWIBFSA-N 254.242 -0.203 10 10 CBCE O=C(N[C@@]1(CO)CCNC1)c1cccc(O)c1O 2069740451 JFAMHRTTWHJAHC-LBPRGKRZSA-N 252.270 -0.448 10 10 CBCE N[C@H]1CC(C(=O)N2CCOc3ncccc32)=C[C@H]1O 2131477550 VZPAIFUMMLXDAJ-GXSJLCMTSA-N 261.281 -0.175 10 10 CBCE CNC[C@H](O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132414691 ZKFUGWHZDQLBCR-QMMMGPOBSA-N 270.285 -0.544 10 10 CBCE Nc1ccc(NC(=O)N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2136337825 ITCKJCDPZQGLII-OUAUKWLOSA-N 267.285 -0.801 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@@H]1C(=O)O 2144019981 QSVHALGPODNUPP-PELKAZGASA-N 281.264 -0.001 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H]3OC(=O)N[C@@H]3C2)cc1 2176928610 UFCUTGONMORWRG-MNOVXSKESA-N 276.296 0.000 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1c1ccc(CO)c([N+](=O)[O-])c1 2188572252 OWISHRSUNOIVFY-ZETCQYMHSA-N 279.252 -0.062 10 10 CBCE O=C1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]2CC[C@@H]2N1 2188916613 QPKDFJFEQQSYCZ-YUMQZZPRSA-N 278.264 -0.094 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 2191645847 QGDPISHLGHBSSQ-ITGUQSILSA-N 297.380 -0.215 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)C[C@@H]1CO 2200829748 KXSBBPHRFVJQNE-RKDXNWHRSA-N 283.280 -0.239 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CO 2232100314 KOYXPXRIKMZZDH-VZLIPTOUSA-N 267.325 -0.049 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@](O)(CO)[C@@H](O)C1 2234104399 GTEGVNXHIYGFNX-AAEUAGOBSA-N 283.280 -0.972 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC2(CNC2)C1 2288444283 HXTMVFFCFSOOOA-UHFFFAOYSA-N 280.280 -0.382 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](CO)C3)ccc21 316881876 BSMSQTBOMXWRBG-JCOFBHIZSA-N 277.324 -0.311 10 10 CBCE N[C@@H]1COCC[C@H]1NC(=O)c1cccc(O)c1O 707049709 RRHDFXATPZGKTD-RKDXNWHRSA-N 252.270 -0.056 10 10 CBCE O=C(NCCn1ccc(O)nc1=O)c1cccc(O)c1O 1645310656 GSNRHLKFRBCCRY-UHFFFAOYSA-N 291.263 -0.210 10 10 CBCE Nc1cccc(F)c1N[C@H]1CS(=O)(=O)C[C@H]1O 2008560569 LNQJKOUESIRIPB-DTWKUNHWSA-N 260.290 -0.022 10 10 CBCE NC[C@@H](O)CC(=O)NCCc1ccc(O)c(O)c1 2031087607 QJNIFPRZGBMFHO-VIFPVBQESA-N 254.286 -0.534 10 10 CBCE COC[C@H](NCc1cccc(OC)c1O)C(N)=O 2034938847 FGDSABHTBMQVGZ-VIFPVBQESA-N 254.286 -0.009 10 10 CBCE O=S1(=O)CC[C@@H](CNCc2ccc(O)c(O)c2O)N1 2090001065 JQWIZEPOHYZCTN-QMMMGPOBSA-N 288.325 -0.415 10 10 CBCE COC[C@@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1 2101360008 CZMYPPIGKDFIRL-GFCCVEGCSA-N 267.285 -0.399 10 10 CBCE N[C@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CCOC1 2132401353 TVESEZKYMKRUCY-LBPRGKRZSA-N 268.269 -0.349 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CNCCOC1 2148022206 TYAPMVLAKJREGX-NSHDSACASA-N 280.324 -0.008 10 10 CBCE CCOc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1O 2165120913 ILPSUVLTQJDPHE-XXSPCDMZSA-N 283.324 -0.265 10 10 CBCE NCc1cc(F)c(N2CC3(C2)OC[C@H](O)[C@H]3O)c(F)c1 2183626077 FJXFIHYIAJGFPP-CMPLNLGQSA-N 286.278 -0.266 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1NCC[C@@H](O)[C@@H]1O 2184019244 ARVZEDUTUFDQTN-UPJWGTAASA-N 280.324 -0.566 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CCN1Cc1ccc(F)cc1O 2204623971 GIARTEUOVCRKHB-DLOVCJGASA-N 285.271 -0.088 10 10 CBCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c1nnc[nH]1 110986722 CRTPUTPSRHFUSQ-SSDOTTSWSA-N 292.251 -0.358 10 10 CBCE O=C(NCC1(O)CCNCC1)c1ccc(O)c(O)c1 397494005 OIQGAKFFGSQNNU-UHFFFAOYSA-N 266.297 -0.058 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 693390702 LTQCNRPHRAFZJT-PHIMTYICSA-N 262.313 -0.832 10 10 CBCE CC(CO)(CO)CNC(=O)Cc1ccc(O)c(O)c1 1468453001 MLCMZEVRBPPIIE-UHFFFAOYSA-N 269.297 -0.253 10 10 CBCE N[C@H](Cc1ncns1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2052250706 ZSGPJUQXJGVOIA-BWZBUEFSSA-N 268.342 -0.327 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@H](O)CO)cc1 2061852135 HPWHAMPAXFNLNI-JTQLQIEISA-N 254.286 -0.493 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC([N+](=O)[O-])C1 2071562916 APBKXAXOZAVZTE-UHFFFAOYSA-N 254.198 -0.096 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CNC[C@@H]2O)cc1 2071660856 UWGAJIIOVRGTMK-QWRGUYRKSA-N 271.342 -0.979 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)C1CS(=O)(=O)C1 2095901257 AQWGTGJCPPPAJR-NSHDSACASA-N 282.321 -0.095 10 10 CBCE OC[C@@H]1C[C@H](NCc2cccc(F)c2O)[C@H](O)[C@@H]1O 2121476794 XNZABCQYWAVXOE-ZDAZMGEQSA-N 271.288 -0.277 10 10 CBCE C[C@H]1[C@@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2126119601 MSQWDKZDHOIHPX-DXBFQKDVSA-N 266.297 -0.441 10 10 CBCE CS(=O)(=O)N1CC(NC(=O)CCc2ccc(N)cc2)C1 2145425334 FHSUVFGIVHZGOT-UHFFFAOYSA-N 297.380 -0.039 10 10 CBCE NC[C@@]1(CO)COCCN1c1ccc2c(c1)OCCO2 2162674235 YNUCQTTUFMSEBQ-CQSZACIVSA-N 280.324 -0.016 10 10 CBCE CN(Cc1cc2c(cc1O)OCO2)[C@H]1CC(=O)NC1=O 2171198810 CQDLWUCMKRAINX-QMMMGPOBSA-N 278.264 -0.032 10 10 CBCE O=C(N[C@@H](C(=O)O)[C@H]1CCCO1)c1cc(O)nc(O)c1 2172514667 KFOCPHBQLCPAKC-GMSGAONNSA-N 282.252 -0.145 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 2182545217 OSAQWUCASXZTHA-IVQVNHIISA-N 280.280 -0.694 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@](O)(C(=O)O)C1 2188868838 XTGREQCGZFOISL-GFCCVEGCSA-N 283.236 -0.535 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1 2273782471 UCNFIFXYZPZCDV-ICCXJUOJSA-N 270.304 -0.565 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2354485759 RAVPMGRMPWEUKH-DVXMNORISA-N 277.324 -0.367 10 10 CBCE Oc1ccc(CNCCN2CCNCC2)c(O)c1O 83495144 NAZCWNLEMMYMGO-UHFFFAOYSA-N 267.329 -0.202 10 10 CBCE CN(CCC(N)=O)c1cc2c(cc1N)OCC(=O)N2 381971705 RFTSVBWNYMKYTP-UHFFFAOYSA-N 264.285 -0.089 10 10 CBCE O=C(O)CN(CCO)C(=O)c1ccc(O)c(O)c1 387493794 XKLXWHNHBVHLAA-UHFFFAOYSA-N 255.226 -0.383 10 10 CBCE C[C@@H](NCc1cc2c(cc1O)OCO2)[C@H](O)CO 698995596 QXUMDGKLIAJGRK-GMSGAONNSA-N 255.270 -0.048 10 10 CBCE Cc1ccc(C(=O)NC[C@](C)(O)CO)c(O)c1O 801977888 YSLQJIQPPSXIST-LBPRGKRZSA-N 255.270 -0.121 10 10 CBCE Nc1ccc(CCNC(=O)N[C@H]2CCNC2=O)cc1 831103945 SZHSOHKHBHUFFE-NSHDSACASA-N 262.313 -0.001 10 10 CBCE COC[C@H](NC(=O)c1c(F)ccc(O)c1O)C(N)=O 1611058835 HIOIPHNASFTSTM-LURJTMIESA-N 272.232 -0.533 10 10 CBCE COc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(N)c1 2090138789 MICWLWUQDFWPES-CHWSQXEVSA-N 268.313 -0.164 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CNC[C@@H]1O 2132409317 DQTSPZQYFKFTSK-XVKPBYJWSA-N 268.269 -0.792 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](N)C[C@H](O)C2)cc1 2191654461 RDBIQDSPDJTOTH-RYUDHWBXSA-N 279.340 -0.042 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)C[C@@H]3CO)ccc21 2200827438 DRVGBTOITOGIFA-NRUUGDAUSA-N 277.324 -0.040 10 10 CBCE N=c1nnc(OC[C@@H]2CC3(CCCC3)CN2)n[nH]1 2219014804 JSJNWLRPJPSORR-QMMMGPOBSA-N 250.306 -0.020 10 10 CBCE Cn1cnnc1N(CC(N)=O)Cc1ccc(N)cc1 2227967771 QYHFWHCJZWBWSX-UHFFFAOYSA-N 260.301 -0.111 10 10 CBCE N[C@H](CS(=O)(=O)NCc1ccccc1O)C(=O)O 2258132380 AEDWRAWLIPPDNZ-MRVPVSSYSA-N 274.298 -0.777 10 10 CBCE NCCOCCOCCC(=O)C(=O)C[C@H]1C[C@H](N)C1 2268187850 OHLLKOKERXVOGE-XYPYZODXSA-N 272.345 -0.366 10 10 CBCE CN1CC(=O)N(CCOc2ccc(N)cc2)CC1=O 94468989 WPDOZKQCPVWJGZ-UHFFFAOYSA-N 263.297 -0.052 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)[C@H](CO)C2)cc1 317705250 SNWZCRXNIXHUIU-ZKYQVNSYSA-N 282.340 -0.707 10 10 CBCE O=S1(=O)CC[C@H](N=N[C@@H]2CCS(=O)(=O)C2)C1 382674268 JJPYIPBRWJFRBQ-OCAPTIKFSA-N 266.344 -0.187 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2OCCN[C@@H]2C1 404087103 RSVRFUFWXIQSRN-ZJUUUORDSA-N 279.296 -0.304 10 10 CBCE CNCc1ccc(N(CC(=O)NC)CC(=O)NC)cc1 720586871 JWGMZRRSFCKKOL-UHFFFAOYSA-N 278.356 -0.296 10 10 CBCE CC(=O)C(=O)COC(=O)[C@]12CCC(=O)N1CCS2 808496600 XMEFLEUWOXZOLA-LLVKDONJSA-N 271.294 -0.247 10 10 CBCE O=C1NC[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)O1 1148590136 CCPSIZAVWMPFDU-LURJTMIESA-N 268.225 -0.358 10 10 CBCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ncnn1 1447560892 GVEVUTRXZCFIEA-MRVPVSSYSA-N 277.284 -0.168 10 10 CBCE NC[C@H]1C[C@H](O)CN1C(=O)COc1ccc(N)cc1 1876671944 FJKBDOINJVOUJC-MNOVXSKESA-N 265.313 -0.432 10 10 CBCE Nc1ccc(NC(=O)N2CC(S(N)(=O)=O)C2)cc1 1914977275 JSHZANQJKDCTLI-UHFFFAOYSA-N 270.314 -0.227 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1ccc(CO)c(Cl)c1 2127698642 AJSCMRVYUOGLCC-JTQLQIEISA-N 283.715 -0.378 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCNC1=O 2132413432 MZJLXCASJCAWQZ-ZETCQYMHSA-N 266.253 -0.236 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2136297092 WJPRJFRZJAYSAT-RQJABVFESA-N 265.309 -0.431 10 10 CBCE NC(=O)[C@]1(O)CCN(c2ccc3c(c2)OCCO3)C1 2226763550 AJYGOSRFTYGVHH-ZDUSSCGKSA-N 264.281 -0.116 10 10 CBCE O=C(NC[C@]12CNC[C@@H]1CCO2)c1cc(O)nc(O)c1 2237809653 BTWLHXQVWJPFJZ-TVQRCGJNSA-N 279.296 -0.399 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1 2289489378 UJYKUTCDXUGWNC-DDTOSNHZSA-N 284.331 -0.305 10 10 CBCE COCCCNC=C1C(=O)NC(=S)N(C)C1=O 2296938701 QTVVZEQVVMZKJG-UHFFFAOYSA-N 257.315 -0.631 10 10 CBCE COC(CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)OC 40832298 PTDSYUJXKPFRJQ-VIFPVBQESA-N 284.312 -0.297 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CONC2=O)cc1 393745681 NOUORGVEAHKGRU-SECBINFHSA-N 251.242 -0.806 10 10 CBCE CC(C)(C)OC(=O)N[C@H]1[C@H](C(=O)O)[C@H]2O[C@H]1C(=O)C2=O 1848349881 BJBLGEJRQAEIBT-KTLDWYAMSA-N 285.252 -0.500 10 10 CBCE CN1C[C@@H](O)[C@H](NCc2ccc(O)c(O)c2O)C1 2029870795 PUXJVMMTZKHPMK-PSASIEDQSA-N 254.286 -0.432 10 10 CBCE C[C@H]1CNC(=O)C[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 2042117671 IAPRJOQCBATERV-GMSGAONNSA-N 254.294 -0.344 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)C[C@@H]1CO 2087723410 VKYLRQFZPSOWLL-NXEZZACHSA-N 267.281 -0.406 10 10 CBCE CNS(=O)(=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2130774596 MQPNISBOSDPJRU-UHFFFAOYSA-N 286.309 -0.529 10 10 CBCE OCc1cc(F)c(N2CC[C@](O)(CO)[C@H](O)C2)c(F)c1 2234094946 CYBZRVSECZPFJL-YPMHNXCESA-N 289.278 -0.249 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1F 2273652276 WYSXSSYDKLMBHC-XDTLVQLUSA-N 270.304 -0.565 10 10 CBCE C[C@]1(O)CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 235737650 USVGWEJTMXIYLU-HZMBPMFUSA-N 280.324 -0.049 10 10 CBCE NC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCCO1 313353349 YPMHRRHKZKDFBZ-VIFPVBQESA-N 267.285 -0.317 10 10 CBCE NC(=O)[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1C(N)=O 693452507 FVSVWLHASHHGPW-AOOOYVTPSA-N 281.287 -0.450 10 10 CBCE CO[C@H]1CNC[C@H]1S(=O)(=O)NCc1ccccc1O 722218984 ISFHGWARGRLZDW-NWDGAFQWSA-N 286.353 -0.202 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1COC[C@H]1O 1471920417 HQTBWHQZDPCKDG-BXKDBHETSA-N 267.281 -0.142 10 10 CBCE COc1ccc(O)c(CN[C@@H]2CC(=O)NC2=O)c1 2034957498 MBNVBWBQCGOOJC-SECBINFHSA-N 250.254 -0.095 10 10 CBCE COc1cccc(O)c1CNC(CO)(CO)CO 2042571570 VBPNOPBKEHHXKW-UHFFFAOYSA-N 257.286 -0.794 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046512813 ZCECBNMAGSESME-IXOXFDKPSA-N 253.298 -0.355 10 10 CBCE CN1CCc2cc([C@@H](N)C3(O)CS(=O)(=O)C3)ccc21 2106856222 XAIISFBNFKQVAX-GFCCVEGCSA-N 282.365 -0.162 10 10 CBCE COc1ccc(CNCCS(=O)(=O)CCO)c(O)c1 2335766218 AREBXNZLCKKCBI-UHFFFAOYSA-N 289.353 -0.103 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1C(=O)COc1ccc(N)cc1 97289836 NQXBTOHVTHNEAZ-MRVPVSSYSA-N 277.280 -0.479 10 10 CBCE COc1cccc(CNC(CO)(CO)CO)c1O 234887331 DNSQYJDZCXYQBM-UHFFFAOYSA-N 257.286 -0.794 10 10 CBCE O=C(N[C@H]1COC[C@@H]1C(=O)O)c1ccc(O)c(O)c1 236436307 MSQUOSDWPDFSLD-YUMQZZPRSA-N 267.237 -0.073 10 10 CBCE C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CC(=O)N1 395741411 YEUNNIWIPZHLPG-ISVAXAHUSA-N 274.324 -0.013 10 10 CBCE O=C(O)C(=O)N1CCN(Cc2ccc(O)cc2O)CC1 396671440 RQEVUCUCZXRSST-UHFFFAOYSA-N 280.280 -0.173 10 10 CBCE NC[C@@]1(CO)COCCN1Cc1ccc(O)cc1O 693931745 CVWMKIPNWRYWMQ-CYBMUJFWSA-N 268.313 -0.380 10 10 CBCE C[C@@]1(CO)C[C@@H](O)CN1C(=O)COc1ccc(N)cc1 698160492 WWMDZIXEDAJWND-RISCZKNCSA-N 280.324 -0.008 10 10 CBCE C[C@@H](O)[C@@H](O)CNC(=O)COc1ccc(N)cc1 717362971 BWBJIOLCFCREGB-KCJUWKMLSA-N 254.286 -0.495 10 10 CBCE O=C(CN1CCOCC1=O)NCCc1ccc(O)c(O)c1 790892583 CNWTVOIFYXFUHQ-UHFFFAOYSA-N 294.307 -0.385 10 10 CBCE COC(=O)[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1136109782 MHMNIGWKHYUQMU-QMMMGPOBSA-N 269.253 -0.710 10 10 CBCE O=C(CCN1C(=O)CSC1=S)Nc1nc[nH]n1 1865768343 KNTAERNZTASNEV-UHFFFAOYSA-N 271.327 -0.006 10 10 CBCE N[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)C(=O)O 1913928932 VLMXXGSUEMPOSK-QMMMGPOBSA-N 268.269 -0.442 10 10 CBCE C[C@H](O)[C@@H](N)CNC(=O)Cc1ccc(O)c(O)c1 2027479350 IHPMIGUIZSZBJM-CBAPKCEASA-N 254.286 -0.535 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)CO2)cc1 2052299262 IPEOAHMEQYCPIP-MNOVXSKESA-N 254.286 -0.383 10 10 CBCE CN(CCNC(=O)Cc1ccc(N)cc1)CC(=O)O 2096656986 RNIMGZCOJTVIQL-UHFFFAOYSA-N 265.313 -0.056 10 10 CBCE O=C(O)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1F 2120644508 DRLIWNHRWOSRID-NKWVEPMBSA-N 270.216 -0.013 10 10 CBCE COC(=O)[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348208 GODVFRGZVRBCIH-MRVPVSSYSA-N 271.225 -0.933 10 10 CBCE COCC1(NC(=O)c2cc(O)c(O)c(O)c2)CNC1 2134141046 GTHUENKGBMOCRJ-UHFFFAOYSA-N 268.269 -0.478 10 10 CBCE COc1cc(N2CC[C@](O)(C(N)=O)C2)ccc1CO 2139683102 QSTVMGBVBSIICB-CYBMUJFWSA-N 266.297 -0.386 10 10 CBCE Cn1cc(S(=O)(=O)NCCc2ccc(O)c(O)c2)nn1 2147992468 FRTCJBQHRMGDJO-UHFFFAOYSA-N 298.324 -0.253 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CN)c(F)c1 2225701110 OKQOTHSLFKPTPL-AGIUHOORSA-N 270.304 -0.159 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(CN)c1 2289404213 LTUITHKAUXAGMH-SWHYSGLUSA-N 282.340 -0.696 10 10 CBCE CNC(=O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 35427927 UUTUBKXPDKUBRA-UHFFFAOYSA-N 273.296 -0.070 10 10 CBCE O=C1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)C(=O)N1 89752578 QIMGODRSUOYWMM-ZCFIWIBFSA-N 265.225 -0.972 10 10 CBCE CCOC(=O)[C@H](NCCN=[N+]=[N-])c1cn(CCO)nn1 90637910 WFMGQPYZJHQWCI-SECBINFHSA-N 283.292 -0.226 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@](O)(CO)C2)cc1 313652326 LTUWOJSLSAZVOF-CQSZACIVSA-N 280.324 -0.007 10 10 CBCE Cn1nnnc1CNC(=O)CCOc1ccc(N)cc1 389366909 VHPSIQKRXUYDHL-UHFFFAOYSA-N 276.300 -0.122 10 10 CBCE CN([C@H]1COC[C@H]1O)S(=O)(=O)Cc1ccc(N)cc1 709343556 GPXPBLFIMVCVAB-NWDGAFQWSA-N 286.353 -0.210 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H]1COCCN1CC(F)F 808544443 CDBWUEDUNBRTJR-QMMMGPOBSA-N 279.239 -0.346 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)[C@H](CO)C1 1148582247 HBMHGAKHIVCKLR-IUCAKERBSA-N 283.280 -0.381 10 10 CBCE Cc1ccc(C(=O)N2C[C@@H](O)[C@H](CO)C2)c(O)c1O 1299167765 BIJJDDZZLKELAN-WCBMZHEXSA-N 267.281 -0.169 10 10 CBCE CN1C(C)(C)[C@@](NCCN=[N+]=[N-])(C(N)=O)CS1(=O)=O 1912156386 MDEYLMKRHMATII-VIFPVBQESA-N 290.349 -0.836 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)N1CC(N=[N+]=[N-])C1 1912171377 JUJGRGIDDJJGEJ-UHFFFAOYSA-N 268.320 -0.645 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCO[C@@]12CCOC2 1912207172 VXQUTTGBZVBEDN-NXEZZACHSA-N 255.278 -0.310 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@@]2(CO)C1 2029640346 ZYDKZYWATQBJDX-UFBFGSQYSA-N 250.254 -0.053 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1CO)c1cccc(O)c1O 2029857488 LVBWBXFUBJLKPV-IONNQARKSA-N 253.254 -0.165 10 10 CBCE C[C@](N)(CO)CNS(=O)(=O)Cc1ccc(N)cc1 2071665789 NGKGSMPQOKVNCJ-LLVKDONJSA-N 273.358 -0.602 10 10 CBCE NC[C@@H](CO)NC(=O)CCOc1ccc(N)cc1 2071858461 MZRWMMGLLSQNHJ-JTQLQIEISA-N 253.302 -0.527 10 10 CBCE CN1CCN(NC(=O)c2cc(O)c(O)c(O)c2)CC1 2132351143 UPUVMQDOOYWRDJ-UHFFFAOYSA-N 267.285 -0.304 10 10 CBCE Cn1cc(C(=O)O)c(=NC(=O)c2cc(O)nc(O)c2)[nH]1 2143809196 YJQKPGWMSVBKDN-UHFFFAOYSA-N 278.224 -0.401 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@@H]2O 2184732170 QWCSENORUSHCRR-NWDGAFQWSA-N 275.308 -0.544 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2CCNC[C@H]2O)cc1 2191654936 WOUGUBAMODYLKO-QWHCGFSZSA-N 279.340 -0.123 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(C)c1 2289486903 BKOSHKAPNPLUKG-VHDGCEQUSA-N 280.368 -0.135 10 10 CBCE CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 40482348 GQXBAPPBHZJXLO-DTWKUNHWSA-N 282.296 -0.053 10 10 CBCE O=C(O)[C@H](O)C[C@H]1NCCc2c1cc(O)c(O)c2O 75819358 TVPOZOQTIOSWNO-VXNVDRBHSA-N 269.253 -0.174 10 10 CBCE C[C@H](O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 85989754 WMQDOVIOGCIIEQ-WPRPVWTQSA-N 268.313 -0.145 10 10 CBCE CNC(=O)[C@H]1CNCCN1C(=O)c1cccc(O)c1O 126691935 JKZXZEGHDZXSHQ-SECBINFHSA-N 279.296 -0.742 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1c(O)cccc1Cl 134019315 VHCQQFSEEQRLFZ-UHFFFAOYSA-N 271.704 -0.182 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@](O)(CO)C3)cc21 313672382 AXJHJCFXNPPNSF-TZMCWYRMSA-N 277.324 -0.404 10 10 CBCE O=C(NC1CS(=O)(=O)C1)[C@@H]1CNc2ccccc2N1 380208963 GYXSKQNGJDXFKW-NSHDSACASA-N 281.337 -0.194 10 10 CBCE CN(Cc1nnnn1C)S(=O)(=O)Cc1ccc(N)cc1 707374304 QGFIKCBKFSYUGH-UHFFFAOYSA-N 296.356 -0.246 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)[C@H]1COC[C@H]1O 709155678 FCYFKHDSCMVAQG-NWDGAFQWSA-N 266.297 -0.134 10 10 CBCE NC(=O)CSCC(=O)NCc1cccc(O)c1O 1593739396 NZBHWPBCAIKHTP-UHFFFAOYSA-N 270.310 -0.068 10 10 CBCE CS(=O)(=O)NCCNC(=O)Cc1ccc(O)c(O)c1 1627489491 AXRYVFZGJPMYLY-UHFFFAOYSA-N 288.325 -0.694 10 10 CBCE [N-]=[N+]=NCCCNC1(C(N)=O)CC2(C1)CS(=O)(=O)C2 1912155573 IGVOXNBYBJWLIN-UHFFFAOYSA-N 287.345 -0.291 10 10 CBCE C[C@@H](NCC(O)(CO)CO)c1ccc(F)cc1O 1913786854 RQEWDEWISLOJES-MRVPVSSYSA-N 259.277 -0.102 10 10 CBCE Nc1ccc(OCCNS(=O)(=O)C2COC2)cc1 1923218071 KYNBJSYORDHUKQ-UHFFFAOYSA-N 272.326 -0.034 10 10 CBCE NC(=O)[C@@H](c1c(O)cccc1F)N1CCNCC1 2042608322 QJPVEFDLKNAMRK-LLVKDONJSA-N 253.277 -0.037 10 10 CBCE OCC(CO)(CO)CNCc1ccc(F)cc1O 2084170316 JZVLQVJHRSCKHJ-UHFFFAOYSA-N 259.277 -0.416 10 10 CBCE NC(=O)NCCCNC(=O)COc1ccc(N)cc1 2111556670 AJAGCDYMIOFLJT-UHFFFAOYSA-N 266.301 -0.178 10 10 CBCE COC[C@H](O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132348858 UMYYWSLNFHKKEI-MRVPVSSYSA-N 271.269 -0.117 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1N 2188912275 JDWPCDNGGNFTGI-GZMMTYOYSA-N 282.296 -0.008 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2NCC[C@H](O)[C@H]2O)c1O 2204622004 OLCNMNNCXUPDCR-DMDPSCGWSA-N 280.324 -0.599 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1Cl 2273650547 JQRBDQRYCHTPTB-JIMOISOXSA-N 286.759 -0.051 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1 2273782472 UCNFIFXYZPZCDV-JIMOISOXSA-N 270.304 -0.565 10 10 CBCE C[C@H](NC(=O)[C@H](N)CS(C)(=O)=O)c1ccccc1O 2335428066 OQEBLUKCADYZBV-WCBMZHEXSA-N 286.353 -0.059 10 10 CBCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nn1cnnc1 110283820 XVQUAXFSIPUOPS-UXBLZVDNSA-N 298.262 -0.012 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCc2ccncc2)C1=O 169995721 KQLNKTISWNUGIZ-VIFPVBQESA-N 262.269 -0.793 10 10 CBCE COC(=O)[C@H](NC(=O)c1cc(O)nc(O)c1)[C@@H](C)O 707718685 HEXGNRSNYPJLMS-MLUIRONXSA-N 270.241 -0.855 10 10 CBCE CC(=O)C(=O)COC(=O)c1cc(C)ccc1S(N)(=O)=O 808528679 LEJFHZNHVHJODR-UHFFFAOYSA-N 299.304 -0.043 10 10 CBCE COC(=O)[C@]1(NC(=O)Cc2ccc(O)c(O)c2)C[C@@H](O)C1 1455140541 COIZQSZCCYXYJQ-DEZZCRIOSA-N 295.291 -0.177 10 10 CBCE CN(Cc1ccccc1O)C(=O)Cn1nnc(N)n1 1545503390 YVQJYWYEAYESBN-UHFFFAOYSA-N 262.273 -0.381 10 10 CBCE Nc1ccc(-n2nnc(C(=O)NCCCC(=O)O)n2)cc1 1857878923 OMBORCPOSGCTSJ-UHFFFAOYSA-N 290.283 -0.161 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](F)[C@@H](CO)C1 2056985646 MTONARUECCDJPR-SFYZADRCSA-N 256.233 -0.105 10 10 CBCE Cc1ccc(CNCC(CO)(CO)CO)c(O)c1 2084066654 SOBNRQMVWKHJLV-UHFFFAOYSA-N 255.314 -0.246 10 10 CBCE N[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@@H]1CO 2122394466 WYCHTNIFFCWYJH-ZJUUUORDSA-N 266.297 -0.121 10 10 CBCE C[C@@H]1CNC(=O)CN1C(=O)Cc1ccc(O)c(O)c1 2124744667 FUEBOBFVUXEXPV-MRVPVSSYSA-N 264.281 -0.013 10 10 CBCE O=C1CCN(C(=O)c2cc(O)c(O)c(O)c2)CCN1 2132351340 WORZOISDXXVLAN-UHFFFAOYSA-N 266.253 -0.235 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2136336325 LZCVVIWFPNHQEW-GZFGJDTESA-N 270.304 -0.252 10 10 CBCE COc1ccc(N2CCN(C[C@@H](O)CO)CC2)c(N)c1 2178041434 YCOHORVOXMRXAZ-LLVKDONJSA-N 281.356 -0.247 10 10 CBCE O=C(NCC1(O)CCNCC1)c1cc(O)c(O)c(O)c1 2188921836 DFKMLJVIPGHTMN-UHFFFAOYSA-N 282.296 -0.352 10 10 CBCE O=C(NCCOC1CNC1)c1cccc(O)c1O 2208670919 ZZFSXLYHOROSQG-UHFFFAOYSA-N 252.270 -0.184 10 10 CBCE N=c1nnc(OC[C@@]2(CN)C[C@H]2C(F)(F)F)n[nH]1 2219017646 OKAIFKRRHPNDLM-FBCQKBJTSA-N 264.211 -0.415 10 10 CBCE NCCCN(CCO)C(=O)c1cccc(O)c1O 2255076410 PPVAGKLSSCDWLA-UHFFFAOYSA-N 254.286 -0.119 10 10 CBCE C[C@@H](O)CN(CCN)C(=O)c1cc(O)c(O)c(O)c1 2269883678 MTYXNSJMIVVSLN-SSDOTTSWSA-N 270.285 -0.415 10 10 CBCE CC[C@H](C(N)=O)N(CC(N)=O)Cc1ccc(N)cc1 61677761 DJEVEZODJIVTLJ-LLVKDONJSA-N 264.329 -0.180 10 10 CBCE Nc1ccc(N2CCN(C[C@@H](O)CO)C2=O)cc1 130746298 FYPQAHAQIUDBNJ-LLVKDONJSA-N 251.286 -0.136 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1COC[C@H]1O 708713701 JGAMCAJLIXEUGQ-LDYMZIIASA-N 253.254 -0.071 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2COC[C@H]2N)cc1 1876456598 PFKWTZRDMCMFBE-VXGBXAGGSA-N 265.313 -0.120 10 10 CBCE Cc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c1O 2057716880 DNKNNPULQLUQFQ-QWRGUYRKSA-N 271.338 -0.052 10 10 CBCE C[C@@](O)(CO)CNC(=O)c1cc(O)c(O)c(O)c1 2068576297 IJDHADBURVIRPG-NSHDSACASA-N 257.242 -0.724 10 10 CBCE OC[C@H](O)C1(NCc2ccc(O)c(O)c2O)CC1 2069741658 BFBSNSWFRRDQGX-VIFPVBQESA-N 255.270 -0.221 10 10 CBCE NCCC(CCN)NC(=O)c1ccc(O)c(O)c1 2084903247 MDUHCWJDLOZART-UHFFFAOYSA-N 253.302 -0.106 10 10 CBCE CN(CCN)CC(=O)NCCc1ccc(O)c(O)c1 2096638713 BNQGCQBAKOXEPE-UHFFFAOYSA-N 267.329 -0.353 10 10 CBCE O=C(N[C@H]1CCNC[C@H]1CO)c1cccc(O)c1O 2116265651 MOIFFAAQMZXYOA-WPRPVWTQSA-N 266.297 -0.202 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@H](O)[C@H](O)C2)cc1 2132128776 DUPUSTKNISEOEW-NWDGAFQWSA-N 286.353 -0.474 10 10 CBCE CN(C(=O)CN(C)C1CS(=O)(=O)C1)c1ccc(N)cc1 2152229295 GZWXPCHPHOHFRH-UHFFFAOYSA-N 297.380 -0.040 10 10 CBCE O=C(Nc1n[nH]c(C2CNC2)n1)c1cc(O)nc(O)c1 2184131664 LVCLFGRDWZDVOY-UHFFFAOYSA-N 276.256 -0.450 10 10 CBCE COc1cc(N)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1OC 2201039631 ZTALSPVIVSBEIG-KWBADKCTSA-N 284.312 -0.811 10 10 CBCE CN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1ccc(=O)n(C)c1 2224797288 WEHIKWIEWIHIMF-QWRGUYRKSA-N 263.297 -0.634 10 10 CBCE OC[C@@]1(O)CCN(c2ccc3c(c2)CC[C@H]3O)C[C@@H]1O 2234093072 QNPOKINMUZBVGX-ILXRZTDVSA-N 279.336 -0.039 10 10 CBCE O=C(NCCOC1CNC1)c1cc(O)c(O)c(O)c1 2337061511 AEGDKPFDRIGLJP-UHFFFAOYSA-N 268.269 -0.478 10 10 CBCE CN(C(=O)CN1CCS1(=O)=O)c1ccc(N)cc1 395558464 FVSAYFHNHJSRAE-UHFFFAOYSA-N 269.326 -0.123 10 10 CBCE O=C(N[C@]1(CO)CCCNC1)c1ccc(O)c(O)c1 711738734 FKERCJJIVHYEGC-CYBMUJFWSA-N 266.297 -0.058 10 10 CBCE COc1nc(O)cc(C(=O)OCC(=O)C(C)=O)n1 808538610 YLPAVRODVYGAOR-UHFFFAOYSA-N 254.198 -0.494 10 10 CBCE Cc1cccc(CN2CCN(CC(N)=O)C(=O)C2)c1O 839169901 KTGCDNLCYUKKMO-UHFFFAOYSA-N 277.324 -0.170 10 10 CBCE CC(=O)OC[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1567526126 NOGBTFNCHYYVFY-SNVBAGLBSA-N 283.280 -0.320 10 10 CBCE Cc1ccc(O)c(CNCCNS(N)(=O)=O)c1 1995953619 ZQTLHKDLGQXNDQ-UHFFFAOYSA-N 259.331 -0.417 10 10 CBCE CO[C@@H]1CNC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2058676210 LXXGOYLHJISPHR-GZMMTYOYSA-N 252.270 -0.186 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@]1(O)CCNC1 2087726658 JRPLUPSOZOPHTF-ZDUSSCGKSA-N 266.297 -0.519 10 10 CBCE COC[C@](O)(CO)CNCc1ccc(OC)cc1O 2102398995 JMRQLSMKVUFNGO-CYBMUJFWSA-N 271.313 -0.140 10 10 CBCE O=C(O)C[C@@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C1 2160880058 YLBGTWLFTJPZGU-LBPRGKRZSA-N 282.252 -0.456 10 10 CBCE NCC12CC(NC(=O)c3cc(O)c(O)c(O)c3)(CO1)C2 2188922343 HBUBYXCDGKPEQP-UHFFFAOYSA-N 280.280 -0.207 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@H](N)[C@@H](CO)C2)cc1 2191637458 IMCXUMIJGIYXTM-YPMHNXCESA-N 299.396 -0.260 10 10 CBCE NC[C@@H]1C[C@H](O)CN1C(=O)CCOc1ccc(N)cc1 2191886475 AMVANLGVTRIXHR-RYUDHWBXSA-N 279.340 -0.042 10 10 CBCE N=c1nnc(OC[C@@]23CCCN[C@@H]2CCC3)n[nH]1 2219017039 IOKWUUNIEHRUGX-LDYMZIIASA-N 250.306 -0.020 10 10 CBCE C[C@@H](C(N)=O)N(CC(N)=O)Cc1ccc(N)cc1 35081208 FUELJKYQLOCHOG-QMMMGPOBSA-N 250.302 -0.570 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@@H](O)[C@H](CO)C2)cc1 396814543 UMCIKSGRZVBLMH-GXFFZTMASA-N 279.340 -0.118 10 10 CBCE O=C(NCC1(CO)COC1)c1cc(O)nc(O)c1 717580844 OHFVTBAQDLTMLT-UHFFFAOYSA-N 254.242 -0.769 10 10 CBCE CN(C[C@@H](O)CN)C(=O)CCOc1ccc(N)cc1 1876451406 NUORHIHHZAZVAP-NSHDSACASA-N 267.329 -0.184 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOC[C@H]1O 1963565835 PRUCZLDNEJOVGK-JOYOIKCWSA-N 267.281 -0.094 10 10 CBCE Nc1ccc(CN2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2063733732 WTEBUYJZIFLPKL-NEPJUHHUSA-N 250.298 -0.425 10 10 CBCE NC[C@H]1COC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2097867515 AEWPAINJLGDDMJ-VHSXEESVSA-N 266.297 -0.270 10 10 CBCE COC(=O)[C@@H](CC(=O)O)NC(=O)Cc1ccc(N)cc1 2159003363 SGXQSRUQIFMESU-SNVBAGLBSA-N 280.280 -0.056 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166791125 OWQYLRRVOHURNW-FXAINCCUSA-N 275.308 -0.457 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H]3NC(=O)O[C@@H]3C2)cc1 2176919670 GCANFYAFAANHDL-GHMZBOCLSA-N 277.280 -0.033 10 10 CBCE CN1CC[C@@](O)(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188868176 NESLHUKCYVJEDX-CYBMUJFWSA-N 282.296 -0.400 10 10 CBCE CN(CC(C)(CO)CO)C(=O)c1cc(O)c(O)c(O)c1 2188875081 NDWYMAVYDPSAPF-UHFFFAOYSA-N 285.296 -0.134 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@H]2CNC[C@H]21 2188921694 CUEGAYWWBJACBH-KCJUWKMLSA-N 280.280 -0.384 10 10 CBCE CN[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CO)ccc21 2201040624 ZTENOCUDDWKDPZ-QPSCCSFWSA-N 278.352 -0.204 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1ccc(F)cc1O 2333190960 MTNHUKPIIXWMTP-GMTAPVOTSA-N 271.244 -0.478 10 10 CBCE C[C@@H](NC(=O)[C@H](N)CS(C)(=O)=O)c1ccccc1O 2335428065 OQEBLUKCADYZBV-PSASIEDQSA-N 286.353 -0.059 10 10 CBCE Cn1c(CN)cc(=O)n2nc(-c3cnccn3)cc12 71468143 GTJALKVBTUUSKC-UHFFFAOYSA-N 256.269 -0.051 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1c1cc2c(cc1N)OCCO2 97290651 SDANVQQLIONVRK-ZETCQYMHSA-N 277.280 -0.109 10 10 CBCE Nc1ccc(CCC(=O)NC[C@H](O)C(=O)O)cc1 134696790 MCFYVUURCCCKHS-JTQLQIEISA-N 252.270 -0.237 10 10 CBCE C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC(=O)N1 395692528 BUEKCSWTOHPPNY-JVXZTZIISA-N 260.297 -0.037 10 10 CBCE CNC(=O)c1ccc(C(=O)OCC(=O)C(C)=O)cn1 808514504 GQHZPRQSJPTCGX-UHFFFAOYSA-N 264.237 -0.244 10 10 CBCE CN(c1ccc(N)cc1)S(=O)(=O)N1CC(O)C1 1914139497 YYPHWVJDEFACMB-UHFFFAOYSA-N 257.315 -0.374 10 10 CBCE COC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(N)=O 2034946648 GYQDKLBVHVKDFF-SSDOTTSWSA-N 254.242 -0.672 10 10 CBCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)CO 2068575608 DDKRYYVPGLMMLL-MLUIRONXSA-N 257.242 -0.725 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1CN 2081034144 GADQZWYVFGWBQN-RWMBFGLXSA-N 252.314 -0.644 10 10 CBCE N[C@H]1CC=C(C(=O)N2CCn3ncc(C(=O)O)c32)C1 2088834884 LNLPVIFJTGNJPM-QMMMGPOBSA-N 262.269 -0.025 10 10 CBCE CNC1(C(N)=O)CN([C@H](C)c2ccc(O)cc2O)C1 2109490441 DPXDRYFLWUFXDX-MRVPVSSYSA-N 265.313 -0.082 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1Cc1ccc(O)c(O)c1 2136096031 NNDGWBUJPQJVBX-OUAUKWLOSA-N 269.253 -0.912 10 10 CBCE Nc1ccc(O)c(CN2CC[C@]3(C2)NC(=O)NC3=O)c1 2170607744 RHHNOFQMQGNOMR-CYBMUJFWSA-N 276.296 -0.242 10 10 CBCE O=C(N[C@@]12CC[C@@H](C1)[C@@H](O)[C@H]2O)c1cc(O)nc(O)c1 2176910474 GUQCSNUOPPMJMT-YJORJRJKSA-N 280.280 -0.503 10 10 CBCE N=c1[nH][nH]cc1S(=O)(=O)NCCOc1ccc(N)cc1 2191623113 GRIBBSBMFJHWCJ-UHFFFAOYSA-N 297.340 -0.238 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CN[C@@H](CO)[C@H]2C1 2235557380 ODYJTNBHWOBNEN-GUBZILKMSA-N 279.296 -0.855 10 10 CBCE CN1C(=O)CC[C@H](Nc2c(N)cccc2C(N)=O)C1=O 161207444 KNLSJULSXUKUBM-VIFPVBQESA-N 276.296 -0.073 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](O)C3)c(Cl)cc21 236309267 FHMDJQSURHSFJQ-DCAQKATOSA-N 283.715 -0.166 10 10 CBCE CNCCOCCNC(=O)Cc1ccc(O)c(O)c1 1971730503 ZIRMXDFALPFBMD-UHFFFAOYSA-N 268.313 -0.008 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@H]1CC(=O)NC1=O 2114739686 KKADUEVUIDBROB-ZETCQYMHSA-N 264.237 -0.415 10 10 CBCE NC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2132413269 LJTWDWRCPXDUGO-MRVPVSSYSA-N 268.269 -0.397 10 10 CBCE Cc1ccc(O)c(CN2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)c1 2166790552 ICJRVCASLBZIJB-QWRGUYRKSA-N 275.308 -0.501 10 10 CBCE COc1cc(N2CC3(C2)OC[C@H](O)[C@@H]3O)ccc1CO 2204536456 NFFLBGAHONPKSB-AAEUAGOBSA-N 281.308 -0.502 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 2233862436 JJZCSBBOWAYMOQ-ZHAHWJHGSA-N 283.280 -0.710 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@](O)(CO)C1 314453685 UALLUINKRBMZMP-GXTWGEPZSA-N 277.324 -0.152 10 10 CBCE Nc1ccc(OCC(=O)NCCCc2nn[nH]n2)cc1 392604977 YPMGTGKXEDLYHT-UHFFFAOYSA-N 276.300 -0.090 10 10 CBCE [N-]=[N+]=NCCNS(=O)(=O)C1CS(=O)(=O)C1 1912182191 YQRXRZBSZNPVJO-UHFFFAOYSA-N 254.293 -0.987 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CNCC[C@H]2CO)cc1 1971918222 DXZKKFBCPTVYQZ-WCQYABFASA-N 263.341 -0.102 10 10 CBCE NC(=O)CC[S@@](=O)CC(=O)c1ccc(O)c(O)c1 2029177506 JUMJEDZZYICEIR-GOSISDBHSA-N 271.294 -0.095 10 10 CBCE CN(C(=O)CN1C[C@H](O)CO1)c1ccc(N)cc1 2052300312 QXFGWKXWGRFBMU-NSHDSACASA-N 251.286 -0.160 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](CO)C[C@H]2CO)cc1 2146079531 JEJLMMMUOWMGIX-MFKMUULPSA-N 279.340 -0.118 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(CCO)C1 2152302890 IQQHTNZJKXDDFQ-NSHDSACASA-N 280.324 -0.192 10 10 CBCE Cn1nnnc1CCNS(=O)(=O)Cc1ccc(N)cc1 2175914181 MFHFBMWAIYKAIS-UHFFFAOYSA-N 296.356 -0.546 10 10 CBCE CN(CC1(O)CNC1)C(=O)c1cccc(O)c1O 2259124340 HECJVAPKQPSFAC-UHFFFAOYSA-N 252.270 -0.496 10 10 CBCE CO[C@H](CO)CNS(=O)(=O)Cc1ccc(N)cc1 2263472089 WAEKMLDAMOMGCB-NSHDSACASA-N 274.342 -0.305 10 10 CBCE CO[C@@H]1[C@H](O)C[C@H]1NC(=O)COc1ccc(N)cc1 2271172076 YMRGTQPLBUKBSI-WZRBSPASSA-N 266.297 -0.088 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2289409969 YRUJSOFWHHGOPT-VHDGCEQUSA-N 280.368 -0.054 10 10 CBCE O=C(NCC[C@@H](O)CCO)c1cc(O)nc(O)c1 2326768619 VPEODVGPZYFNPK-MRVPVSSYSA-N 256.258 -0.644 10 10 CBCE C[C@@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)c1c(O)cccc1O 2330863842 NKHQOBACINOGMR-SOCHQFKDSA-N 287.337 -0.094 10 10 CBCE Nc1ccc(OCCCS(=O)(=O)C[C@H](O)CO)cc1 58262757 KIOLJKSMNZUUGH-LLVKDONJSA-N 289.353 -0.194 10 10 CBCE Oc1cc2c(c(O)c1O)CCN[C@@H]2[C@@H]1C[C@@H](O)CN1 75818956 PCXGUUOUTBBBBK-PUMQYWBSSA-N 266.297 -0.287 10 10 CBCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)c1nnn[nH]1 95038815 QXIDCSXQNJNWNK-LURJTMIESA-N 293.239 -0.963 10 10 CBCE COc1ccccc1CNC(=O)C[C@H]1C(=O)NN(C)C1=O 169995695 LHISUOZBUZMYIE-JTQLQIEISA-N 291.307 -0.179 10 10 CBCE Cc1cc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)ccn1 169996308 LRRQULGONFABGQ-VIFPVBQESA-N 262.269 -0.162 10 10 CBCE COc1ccc(N2CCNC(=O)[C@@H]2CN)c(OC)c1 217136112 XWEZUNFQYVWLIV-NSHDSACASA-N 265.313 -0.033 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@]2(O)CCOC2)cc1 227094015 PINWZQLPEMNFTH-ZDUSSCGKSA-N 266.297 -0.085 10 10 CBCE Cn1ccc([C@]2(CN)CCS(=O)(=O)C2)cc1=O 315321258 LKYVRXXPTYRMBO-NSHDSACASA-N 256.327 -0.600 10 10 CBCE CN(C(=O)CN1C[C@@H](O)[C@H](CO)C1)c1ccc(N)cc1 316045505 FXGBERRGUDBOAV-GXFFZTMASA-N 279.340 -0.483 10 10 CBCE NC(=O)N[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 690735316 LSHGYHRYXUDADC-RDDDGLTNSA-N 276.296 -0.081 10 10 CBCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@H](CO)C1 699451195 RJUWNJCDOMXJFP-ZDUSSCGKSA-N 299.396 -0.293 10 10 CBCE CO[C@]1([C@@H](NCCCN=[N+]=[N-])C(N)=O)CCOC1 1912170377 WHMUOSQLQKJBST-WCBMZHEXSA-N 257.294 -0.064 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)C1COC1 1923173334 UNSBNUCPJWLYPH-UHFFFAOYSA-N 299.352 -0.715 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2006134822 NZNLMIASGLNOLW-RNLVFQAGSA-N 256.287 -0.202 10 10 CBCE CN1C[C@H](O)[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2029863925 MPWLCPZFLZDKEZ-KWQFWETISA-N 252.270 -0.498 10 10 CBCE C[C@@]12CC[C@@](C(=O)NCCN)(C(=O)C1=O)[C@@]2(C)CF 2078859781 MSQWZCJJZWIRPI-AGIUHOORSA-N 270.304 -0.025 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2ccc(F)cc2O)C1 2084167058 XGVGXMNFNUEWHB-ONGXEEELSA-N 275.301 -0.221 10 10 CBCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)CC(=O)N1 2087730359 XQIFECSVMKPAAB-UHFFFAOYSA-N 264.237 -0.875 10 10 CBCE O=C(N[C@H]1CNCC[C@H]1CO)c1cccc(O)c1O 2116268268 IZWGXVSDJRDEPP-WPRPVWTQSA-N 266.297 -0.202 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC(OCCO)C1 2132348435 LMIIGMPLXDSNIW-UHFFFAOYSA-N 269.253 -0.363 10 10 CBCE CN1CCN(C(=O)COc2ccc(N)cc2)[C@@H](CN)C1 2191678642 JVTVQHJKQHZQLY-LBPRGKRZSA-N 278.356 -0.251 10 10 CBCE COc1ccc(CN2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)c(O)c1 2200855347 BAFMXQDOVJCYRV-SDDRHHMPSA-N 283.280 -0.609 10 10 CBCE N=c1nnc(OC[C@@]2(CN)C[C@@H]2C(F)(F)F)n[nH]1 2219017647 OKAIFKRRHPNDLM-FFWSUHOLSA-N 264.211 -0.415 10 10 CBCE CCNC(=O)CNS(=O)(=O)Cc1ccc(N)cc1 36780163 PWKWFWOFIPYINX-UHFFFAOYSA-N 271.342 -0.176 10 10 CBCE O=C1NC(=O)C(=Cc2ccc(C(=O)O)o2)C(=O)N1 69593590 VKHFUOVPHZIMCF-UHFFFAOYSA-N 250.166 -0.273 10 10 CBCE CN(C)CCNC(=O)[C@@H](N)c1ccc(O)cc1O 83395660 RNNSGPXRDCUICD-NSHDSACASA-N 253.302 -0.225 10 10 CBCE COCCNC(=O)CNCc1cc2c(cc1O)OCO2 134491124 STYPLQOOTQRVOD-UHFFFAOYSA-N 282.296 -0.027 10 10 CBCE O=C1NC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)N1 783611648 FABMOKQSSWYVMW-SSDOTTSWSA-N 280.236 -0.495 10 10 CBCE O=C1NCC[C@H]1C(=O)NCc1c(O)cccc1O 1558536439 XZXNKGGTHZGSES-SSDOTTSWSA-N 250.254 -0.150 10 10 CBCE NC(=O)[C@@H]1CCN1CC(=O)c1ccc(O)c(O)c1 2028927545 PFOGSKWVDKCREN-QMMMGPOBSA-N 250.254 -0.160 10 10 CBCE CN(C)c1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)cc1 2108829942 GXJFRSNDDWKEFZ-RFGFWPKPSA-N 266.341 -0.303 10 10 CBCE Oc1ccc(CNC2CN(C3COC3)C2)c(O)c1O 2114713559 IAJKFXARUYVDPD-UHFFFAOYSA-N 266.297 -0.024 10 10 CBCE C[C@H]1CN[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CN1 2148011029 XBYQJXRHLBLWPT-GXSJLCMTSA-N 279.340 -0.294 10 10 CBCE C[C@H](c1cc(O)ccc1O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)O 2200861821 MXNKNJVZRQQYAP-IJOYTFPISA-N 283.280 -0.351 10 10 CBCE CN(CC1(O)CNC1)C(=O)c1cc(O)c(O)c(O)c1 2271716449 JDVLXMNILWEPKY-UHFFFAOYSA-N 268.269 -0.790 10 10 CBCE CNCCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 83495148 AMXAGNQCQXWVGT-JTQLQIEISA-N 267.329 -0.307 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1 706777689 LCTKXAKSADFNKP-RYUDHWBXSA-N 286.353 -0.162 10 10 CBCE CN(C)C[C@@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C1 713689287 UOHDLJKGPIJLJE-ZDUSSCGKSA-N 281.312 -0.369 10 10 CBCE CN1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)NC1=O 830559307 MIXOXIUNEPGJIE-QMMMGPOBSA-N 265.269 -0.262 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)cc1 1924760986 ZTLGCPNLSCKWPA-AOOOYVTPSA-N 280.305 -0.197 10 10 CBCE O=S(=O)(NCc1ccccc1O)c1nc[nH]n1 2009226392 CUFXKPHWTMQZKU-UHFFFAOYSA-N 254.271 -0.011 10 10 CBCE CNCC[S@](C)(=O)=NC(=O)c1cc(O)nc(O)c1 2042954395 PFHPLJQGWWFTQF-SFHVURJKSA-N 273.314 -0.050 10 10 CBCE COC[C@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C1 2095406120 NIWAOKHRKLTXKZ-LBPRGKRZSA-N 268.269 -0.284 10 10 CBCE CS(=O)(=O)C1CN(CC(=O)Nc2ccc(N)cc2)C1 2095964110 COQZDKTUBQCVIC-UHFFFAOYSA-N 283.353 -0.064 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1COC[C@H]1O 2132349038 XLQVCAWJGLODOU-GMSGAONNSA-N 269.253 -0.365 10 10 CBCE Cc1cc(CN)ccc1N1CCN(C[C@H](O)CO)CC1 2178040765 RMTQMGISHJVKIU-AWEZNQCLSA-N 279.384 -0.071 10 10 CBCE Nc1ccc(-n2ccc(C(=O)NC[C@H](N)CO)n2)cc1 2191664583 XAMATQSRMJXBQH-JTQLQIEISA-N 275.312 -0.496 10 10 CBCE C[C@H](N)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2201035417 JJDJHRMPZOQAMB-BGTRIHLQSA-N 288.294 -0.113 10 10 CBCE COc1cc(N2CC[C@@](O)(CO)[C@@H](O)C2)ccc1CN 2234097739 WCHLATVMPUKWFQ-UONOGXRCSA-N 282.340 -0.552 10 10 CBCE O[C@H]1COC2(CN(c3ccc4c(c3)OCCO4)C2)[C@H]1O 2235105463 YNMQCUSEKXTAJM-GWCFXTLKSA-N 279.292 -0.231 10 10 CBCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2O 2355944036 YRKTWNTWSZSBJG-TUAOUCFPSA-N 278.308 -0.008 10 10 CBCE NCC[C@H](O)C(=O)NCc1cc([N+](=O)[O-])ccc1O 83512652 IAVKTRHBJADLSE-JTQLQIEISA-N 269.257 -0.374 10 10 CBCE COC[C@H](N)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 159396990 LQXIXLKTWMPYQV-DTWKUNHWSA-N 298.295 -0.817 10 10 CBCE NCCNS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 213432322 RVTZINFKWCGVHO-UHFFFAOYSA-N 275.286 -0.705 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)[C@@H](CO)C2)cc1 317705248 SNWZCRXNIXHUIU-QKCSRTOESA-N 282.340 -0.707 10 10 CBCE CN(C)C[C@H](O)CNC(=O)c1cc(O)nc(O)c1 717415292 NUTGWIPHWWAIOB-MRVPVSSYSA-N 255.274 -0.855 10 10 CBCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCNC[C@@H]1OC 1912204070 IKKCTWOSRFQYGJ-WPRPVWTQSA-N 257.294 -0.194 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCOCCN2)cc1 2071728221 DRYGPDLIYQHENF-UHFFFAOYSA-N 271.342 -0.065 10 10 CBCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)C(=O)O 2132348160 FRWNPSPFBJJDLQ-NVNXEXLPSA-N 271.225 -0.633 10 10 CBCE OCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2136282392 ASSOZIGYGBTLDT-JBLDHEPKSA-N 275.251 -0.640 10 10 CBCE N[C@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@@]2(CCOC2)C1 2154532492 SGUOCNZSOHWSKZ-RNCFNFMXSA-N 279.296 -0.175 10 10 CBCE COC1(C(N)=O)CN(CC(=O)Nc2ccc(N)cc2)C1 2161183530 LCRZCJKKRQAJMF-UHFFFAOYSA-N 278.312 -0.607 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166791503 TWLJHFXZTASZGV-KPXOXKRLSA-N 274.324 -0.491 10 10 CBCE COc1ccc(N2CC([C@@H]3NC(=O)NC3=O)C2)c(N)c1 2184961654 YGWXMPKKMLWNNW-NSHDSACASA-N 276.296 -0.078 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H]2CCNC[C@H]21 2185550990 STANFNLVQOPJQJ-NXEZZACHSA-N 279.296 -0.304 10 10 CBCE NC(=O)C1(N)CCN(C(=O)Cc2ccc(N)cc2)CC1 2191678002 FPPANLZLGFBPET-UHFFFAOYSA-N 276.340 -0.384 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CC[C@@H]1O 2205487925 ZXGGERZYYDUXLJ-DCAQKATOSA-N 280.324 -0.145 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(OC)c1 2235128862 HVEXZBRMYCTNKG-KBPBESRZSA-N 283.324 -0.002 10 10 CBCE NC(CO)(CO)c1nc(-c2ccc(O)c(O)c2)no1 2344157981 IGJWAVWXXIRNDS-UHFFFAOYSA-N 267.241 -0.714 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@@H](O)[C@@H](O)[C@H]1C2 2355337399 CLMQLGHZQSYKNT-YWZCALJYSA-N 280.280 -0.551 10 10 CBCE Nc1ccc(-n2ccc(C(=O)NCc3nnn[nH]3)n2)cc1 44884833 WCGVOJYAAREILM-UHFFFAOYSA-N 284.283 -0.102 10 10 CBCE CN1C(=O)C[C@H](NCc2ccc(O)c(O)c2)C1=O 115260849 SPSVRNZJZCCTKO-QMMMGPOBSA-N 250.254 -0.055 10 10 CBCE O=C1C[C@H](CNC(=O)c2cccc(O)c2O)CN1 398282367 AJYVNHKHMIFFLX-ZETCQYMHSA-N 250.254 -0.036 10 10 CBCE O=C(c1cccc(O)c1O)N1CC(CO)(CO)C1 721013547 RTSCOBFTXMKHNX-UHFFFAOYSA-N 253.254 -0.475 10 10 CBCE NC(=O)C(NCc1ccc(Cl)cc1O)C(N)=O 1942494993 RABKTLDYLYFAIC-UHFFFAOYSA-N 257.677 -0.526 10 10 CBCE Nc1ccc(NC(=O)CCN2CC(O)(CO)C2)cc1 2115306957 BKFZCXUFVMCMPS-UHFFFAOYSA-N 265.313 -0.364 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCCC1(CO)CO 2146128906 OOBXNCCZCOULPV-UHFFFAOYSA-N 281.308 -0.014 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@H](N2CC(O)C2)C1 2158749625 WAXXCLSOYWUXQL-SECBINFHSA-N 278.308 -0.011 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 2182517558 IUULBZZPCARUMO-JDNZLRHBSA-N 279.292 -0.089 10 10 CBCE CC[C@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2184141523 QWBDUUMHKFMQPD-RYUDHWBXSA-N 276.340 -0.114 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](N)[C@@H](CO)C2)cc1 2191719556 LSPRQVTXXQGCLY-MFKMUULPSA-N 279.340 -0.184 10 10 CBCE Nc1ccc(CN2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)cc1 2311676123 NFMJRIIIMXQCOS-GMTAPVOTSA-N 252.270 -0.741 10 10 CBCE Cc1cn([C@H]2C[C@H](O)[C@](CO)(N=[N+]=[N-])O2)c(=O)[nH]c1=O 3778208 ZNPKSOLUIAAPQI-NYNCVSEMSA-N 283.244 -0.876 10 10 CBCE O=C(CN1CC[C@](O)(CO)C1)c1ccc(O)c(O)c1 313693632 JTRHQWGAOLOPMV-CYBMUJFWSA-N 267.281 -0.290 10 10 CBCE Nc1ccc(OCCN2C[C@@H](O)[C@H](CO)C2)cc1 316085979 JFCBGBOQDTZCJI-GXFFZTMASA-N 252.314 -0.067 10 10 CBCE C[C@@H]1CN([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 504657122 UZMZEOFNOSIBIL-XUTVFYLZSA-N 269.261 -0.040 10 10 CBCE C[C@@H](c1ccccc1O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 693454603 OCDDSBCBAOJXRJ-INTQDDNPSA-N 277.324 -0.028 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOC[C@@H]1CCO 694906816 PNVLESMDBSBZGX-VIFPVBQESA-N 268.269 -0.284 10 10 CBCE NC(=O)N1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)CC1 721684797 UNAFECFCZUBQLW-LLVKDONJSA-N 276.296 -0.127 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@@H](O)C2)ccc1CO 2068304823 YIXMCFVUCLVJHD-QWRGUYRKSA-N 254.242 -0.371 10 10 CBCE O=C(N[C@@H]1CCNC1=O)c1cc(O)c(O)c(O)c1 2068576313 IKWTUNHLDLYGGW-ZCFIWIBFSA-N 252.226 -0.578 10 10 CBCE CC1(Cn2ccc3c(c2=O)CNCC3)CS(=O)(=O)C1 2097066289 ARZCAQSPVPGXDL-UHFFFAOYSA-N 282.365 -0.071 10 10 CBCE COC1CC(NC(=O)c2cc(O)nc(O)c2)(C(=O)O)C1 2151214451 IRXGTUNKKMEYBG-UHFFFAOYSA-N 282.252 -0.145 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2166419610 RUSFOCNRPGCDQC-QHJGGDKESA-N 277.324 -0.090 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCC3(CO)CO)cc21 2194353092 NGWPNAWWPYIHIY-LBPRGKRZSA-N 277.324 -0.404 10 10 CBCE Cc1cc(N2CC[C@@](O)(CO)[C@H](O)C2)ccc1CN 2225731375 ZNFWEJNCLVXNNG-ZIAGYGMSSA-N 266.341 -0.252 10 10 CBCE CC(=O)N[C@H](CCC(N)=O)C(=O)NCCCN=[N+]=[N-] 2227841169 HIRMAWRCLIUQKB-MRVPVSSYSA-N 270.293 -0.427 10 10 CBCE C[C@H]1Cc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CO)ccc2O1 2333686947 HIXVBKOQBQJWJO-VVHPZPEWSA-N 265.309 -0.087 10 10 CBCE CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNc3ccccc3N2)C1 2353970429 WLSHRMCDOZUDPG-JHJVBQTASA-N 276.340 -0.316 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2354482784 MNSNSXGWJODFCQ-SYEHKZFSSA-N 298.364 -0.476 10 10 CBCE NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccc(N)cc1 37824571 IKEKKASBKDVUMU-WDEREUQCSA-N 263.297 -0.742 10 10 CBCE C[C@@H](OC(=O)Cc1ccc(N)cc1)C(=O)NC(N)=O 41098603 QSXVECRDVYDVIC-SSDOTTSWSA-N 265.269 -0.062 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCO[C@H](CO)C3)cc21 131412337 NRNQUKYERYVKHD-GWCFXTLKSA-N 277.324 -0.140 10 10 CBCE COc1ccc([C@@H](C)N(CC(N)=O)CC(N)=O)c(O)c1 134012498 JPXFDCCJFNLQSH-MRVPVSSYSA-N 281.312 -0.266 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCO[C@@H](CO)C2)cc1 221055649 AJLZWUQJFGKAMR-TZMCWYRMSA-N 282.340 -0.298 10 10 CBCE N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)c1cc(O)nc(O)c1 250753029 DTSHGCQZFATRFA-FZVWWSIASA-N 279.296 -0.273 10 10 CBCE C[C@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)c1ccccc1O 1642831155 RHQYGFBCKUEOET-OKVQYTGBSA-N 293.319 -0.018 10 10 CBCE C[C@H](NC(=O)COc1ccc(N)cc1)C1(O)CNC1 1876450621 DUZHRCULGIWAOK-VIFPVBQESA-N 265.313 -0.513 10 10 CBCE O=C(NC[C@]1(C(=O)O)CCCO1)c1cc(O)nc(O)c1 1923254075 IOYAIHNCVORVGA-LBPRGKRZSA-N 282.252 -0.144 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1COCC[C@H]1O 2046416909 LUPWBSPQXWMUOF-VHSXEESVSA-N 251.286 -0.071 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H](O)C[C@@H](O)C3)cc21 2161394331 QGTFWSUXVOWQAT-CWSCBRNRSA-N 278.308 -0.372 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](N)[C@H](CO)C2)cc1 2191637457 IMCXUMIJGIYXTM-WCQYABFASA-N 299.396 -0.260 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1cccc(O)c1O 2233864007 XBOBNOPUZBYIIZ-UBHAPETDSA-N 283.280 -0.710 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CO 2333979213 KOYXPXRIKMZZDH-VKKKGTNTSA-N 267.325 -0.049 10 10 CBCE CO[C@H]1C[C@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 19477569 AIYNLASENYDCBO-JGVFFNPUSA-N 282.252 -0.193 10 10 CBCE Nc1ccc(N2C(=O)C[C@H](N3CCNCC3)C2=O)cc1 32500289 AIBDUVBQQOMJSK-LBPRGKRZSA-N 274.324 -0.194 10 10 CBCE Nc1ccc(OCC(=O)N2CCN(CCO)CC2)cc1 40303471 XIVMQWRJEIXIIK-UHFFFAOYSA-N 279.340 -0.216 10 10 CBCE C[C@H](c1cc(O)ccc1O)N1CCNC[C@@H]1C(N)=O 88659306 FQFPHUUBQVBAKB-LDYMZIIASA-N 265.313 -0.082 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 323344621 YDSNAVLRPHDYPK-GHMZBOCLSA-N 272.326 -0.552 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1Cn2cnnc2CN1 694741313 JIVUXCXAJNYGIG-JTQLQIEISA-N 273.296 -0.228 10 10 CBCE CCOC(=O)[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1151321391 ZZOMXQVWIROSEA-SECBINFHSA-N 283.280 -0.320 10 10 CBCE NC[C@@H]1C[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 1876416773 BCTKOABQYFYKNC-CABZTGNLSA-N 285.369 -0.086 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@H](O)CO)cc1 2061854343 HPWHAMPAXFNLNI-JTQLQIEISA-N 254.286 -0.493 10 10 CBCE OCC(CO)CCNCc1ccc(O)c(O)c1O 2064510175 OVJMFVYESWLFFF-UHFFFAOYSA-N 257.286 -0.116 10 10 CBCE NC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 2068565621 DCSUVQXFRJRHIO-UHFFFAOYSA-N 255.230 -0.799 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1N 2089912446 VLAYFOIMLINFIQ-UWVGGRQHSA-N 265.313 -0.189 10 10 CBCE O=C(NC1(CO)CCNCC1)c1cccc(O)c1O 2133572261 XGNWRRCLBOLYSF-UHFFFAOYSA-N 266.297 -0.058 10 10 CBCE O=C(CN1C[C@H]2C[C@H]1[C@H](O)[C@H]2O)c1ccc(O)c(O)c1 2160688811 GHLUFRWNJBHGSE-GHSKTYPESA-N 279.292 -0.294 10 10 CBCE COC1(C(N)=O)CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2161183084 FCQFLPRTLGWMAD-JTQLQIEISA-N 277.280 -0.637 10 10 CBCE CN(C)c1ccc(CN2C[C@H](O)[C@H](O)[C@H]2C(=O)O)cc1 2200865399 SARWTSMUHPDDGA-AVGNSLFASA-N 280.324 -0.257 10 10 CBCE COC[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C=CCN1 2314783683 KWPXLSDOMOXVQA-KWBADKCTSA-N 252.314 -0.203 10 10 CBCE N[C@@H](CO)C(=O)N1CCc2cc(O)c(O)cc2C1 2318630233 VQZXYTOLBWIKII-VIFPVBQESA-N 252.270 -0.698 10 10 CBCE CNC(=O)CNS(=O)(=O)CCOc1ccc(N)cc1 70490584 JYFNUJUXUXUWMY-UHFFFAOYSA-N 287.341 -0.687 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H](O)C1CC1 71308262 FINAEFHEHAIGHW-GXFFZTMASA-N 280.324 -0.145 10 10 CBCE N[C@H](c1nnc(CO)o1)c1ccc(O)c(O)c1O 83394539 WSNBGOUXJMWDEO-ZETCQYMHSA-N 253.214 -0.273 10 10 CBCE O=C(N[C@@H](CCO)C(=O)O)c1cccc(O)c1O 126007440 TZQCTQHCSPUSNB-ZETCQYMHSA-N 255.226 -0.337 10 10 CBCE COCCNC(=O)CNCc1ccc(O)c(O)c1 157808740 OSEAGYVLHXNHIT-UHFFFAOYSA-N 254.286 -0.050 10 10 CBCE CN(C(=O)C[S@](=O)CCC(N)=O)c1ccc(N)cc1 399443471 XDBWWPKJNOQIPZ-LJQANCHMSA-N 283.353 -0.144 10 10 CBCE N[C@]1(CNC(=O)c2cc(O)nc(O)c2)CCOC1 688481559 HIZICBUCBJBIIF-NSHDSACASA-N 253.258 -0.660 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CC(CO)C1 698886799 NJKOASAVZQBMDI-ILDUYXDCSA-N 280.324 -0.145 10 10 CBCE CC(C)CNC(=O)C(=O)[C@@H]1SC(=S)NC1=O 1088682596 RIVNHRDDZGNSFU-LURJTMIESA-N 260.340 -0.156 10 10 CBCE Nc1ccc(OCCC(=O)NC2(CO)CNC2)cc1 1876451195 LRGBGPFWQRGQJF-UHFFFAOYSA-N 265.313 -0.512 10 10 CBCE [N-]=[N+]=NC1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 1912200895 MXOYLKFUMUNZGV-UHFFFAOYSA-N 294.358 -0.112 10 10 CBCE Cc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c(O)c1 2084063885 LRIVQGWHQUSVNC-JQWIXIFHSA-N 271.338 -0.052 10 10 CBCE COc1cc(N2CC[C@@](O)(C(N)=O)C2)ccc1CN 2139685806 HKFOBORXGUKKFS-ZDUSSCGKSA-N 265.313 -0.420 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(F)cc2O)[C@H](O)[C@H]1O 2139879025 PYMAPQMERFRNSE-JBSCMGISSA-N 271.288 -0.277 10 10 CBCE C[C@@H](COc1nnc(=N)[nH]n1)NC(=O)OC(C)(C)C 2209011062 GISCWHRCBGHLLC-LURJTMIESA-N 270.293 -0.029 10 10 CBCE Nc1ccc(CN2CC[C@](O)(CO)[C@H](O)C2)cc1 2218676086 BQSQUGUTLMXFPM-OLZOCXBDSA-N 252.314 -0.441 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(=O)O 2225793074 SIWZMPAIMIUAQS-NKWVEPMBSA-N 290.301 -0.500 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1CCNC(=O)[C@@H]1C(N)=O 2240828283 BUWFUJUIXOWLMK-CABZTGNLSA-N 277.324 -0.162 10 10 CBCE CO[C@H]1C[C@H](N)CN(C(=O)c2cc(O)nc(O)c2)C1 2344617885 CIKPZSGOLAIANX-IUCAKERBSA-N 267.285 -0.319 10 10 CBCE Nc1ccc(OCCS(=O)(=O)C[C@H](O)CO)cc1 58262856 RYWMPQCILBKFOO-SNVBAGLBSA-N 275.326 -0.584 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCOC[C@H]3CO)cc21 222946936 RXBZENNTJVVARG-ZWNOBZJWSA-N 277.324 -0.140 10 10 CBCE NC(=O)CCS(=O)(=O)CC(=O)Nc1ccc(N)cc1 399160683 BRWCZGFLZVRTEY-UHFFFAOYSA-N 285.325 -0.503 10 10 CBCE CN(Cc1nnnn1C)C(=O)COc1ccc(N)cc1 707419294 LXBPWGBNPSCAPQ-UHFFFAOYSA-N 276.300 -0.170 10 10 CBCE CN(C)C[C@@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 717355352 IJTPLEUCQMOOOR-LBPRGKRZSA-N 287.385 -0.389 10 10 CBCE O=C(N[C@@H]1CCOC[C@@H]1CO)c1cc(O)nc(O)c1 1878696210 OVUZSCUVGAHQAG-DTWKUNHWSA-N 268.269 -0.380 10 10 CBCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)C1CS(=O)(=O)C1 1912168762 FYZFMRIFSISVCU-QMMMGPOBSA-N 261.307 -0.825 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(O)(C(N)=O)C1 1915224853 UXLIGYQHQXMPRC-MRVPVSSYSA-N 278.312 -0.872 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)c(F)c1 1924758760 VWUKIBMHDSXUSL-OCAPTIKFSA-N 298.295 -0.058 10 10 CBCE CC(C)S(=O)(=O)C[C@@](C)(NCCN=[N+]=[N-])C(N)=O 2051044260 PUEHFBANXJJBOT-SECBINFHSA-N 277.350 -0.047 10 10 CBCE NCc1ccc(N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 2114810509 SJHOKNLMORHTRX-LLVKDONJSA-N 260.297 -0.114 10 10 CBCE CNC1(C(=O)NCCc2ccc(O)c(O)c2)COC1 2116497188 WOTDGPSFTUEKOW-UHFFFAOYSA-N 266.297 -0.255 10 10 CBCE C[C@](O)(CCO)CNC(=O)c1cc(O)c(O)c(O)c1 2132350213 LRHGTGCFHPLXIN-LBPRGKRZSA-N 271.269 -0.333 10 10 CBCE CN(C)c1ccc([C@H](O)[C@@]2(C(=O)O)C[C@@H](O)CN2)cc1 2164762497 SNRVPJAHMDCEKN-MBNYWOFBSA-N 280.324 -0.036 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H](F)C1(O)CNC1 2172260783 RTHMVQUCHGTIPW-NSHDSACASA-N 284.287 -0.571 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC2(C1)OC[C@@H](O)[C@H]2O 2183722027 MODLHESBXJODOJ-GHMZBOCLSA-N 281.264 -0.956 10 10 CBCE O=C(NC[C@H]1CNCCOC1)c1cc(O)c(O)c(O)c1 2188915767 KVYYYCVPJUEETD-MRVPVSSYSA-N 282.296 -0.231 10 10 CBCE CN1CCN(S(=O)(=O)Cc2ccc(N)cc2)[C@@H](CN)C1 2191540758 PNHUITOJERRCEZ-ZDUSSCGKSA-N 298.412 -0.327 10 10 CBCE C[C@]1(CNC(=O)c2cc(O)nc(O)c2)CNCCOC1 2199840193 IISLZGJTDIZXQT-CYBMUJFWSA-N 281.312 -0.151 10 10 CBCE CNCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2225721488 KHQBIKLRLAVJIU-UONOGXRCSA-N 266.341 -0.300 10 10 CBCE CS(=O)(=O)CS(=O)(=O)Nc1ccc(O)cc1N 235011642 HIWDRUZXWKJAFB-UHFFFAOYSA-N 280.327 -0.282 10 10 CBCE NC(=O)[C@@H]1CCCN1C[C@H](O)COc1ccc(N)cc1 252434655 VOYPUDGQOYFXLF-AAEUAGOBSA-N 279.340 -0.042 10 10 CBCE COCCN1C[C@@H](C(=O)OCC(=O)C(C)=O)CC1=O 808501418 OKQZZLDMIZGIHL-VIFPVBQESA-N 271.269 -0.817 10 10 CBCE COC(=O)C1(O)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1558059727 IHPCXNHVSBDBPM-HWKANZROSA-N 293.275 -0.143 10 10 CBCE O=C1NCC[C@H]1C(=O)NCc1cc(O)ccc1O 1633599259 VLQXSPKVUUYUAL-SECBINFHSA-N 250.254 -0.150 10 10 CBCE CO[C@@]1([C@H](NCCCN=[N+]=[N-])C(N)=O)CCOC1 1912170376 WHMUOSQLQKJBST-SCZZXKLOSA-N 257.294 -0.064 10 10 CBCE O=C(N[C@@H](CO)CCCO)c1cc(O)nc(O)c1 2029928137 PPLRRFVIXUNYDO-MRVPVSSYSA-N 256.258 -0.644 10 10 CBCE COCC1(O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132348668 QFQSZQPINGNRFW-UHFFFAOYSA-N 269.253 -0.363 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H]2CNC[C@@H]21 2144030613 QEZXFRNPGIRUBE-GXFFZTMASA-N 278.308 -0.161 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1NCC[C@H](O)[C@@H]1O 2184019245 ARVZEDUTUFDQTN-XQQFMLRXSA-N 280.324 -0.566 10 10 CBCE N[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1CO 2188925158 SYAYDKUDEUTCTL-APPZFPTMSA-N 282.296 -0.415 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CCNC[C@H]1COC2 2204527922 YAODZSIXYVCNDG-UWVGGRQHSA-N 279.296 -0.304 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1 2273782473 UCNFIFXYZPZCDV-TVYUQYBPSA-N 270.304 -0.565 10 10 CBCE C[C@@H]1Cc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CO)ccc2O1 2333686944 HIXVBKOQBQJWJO-HIPMNCMDSA-N 265.309 -0.087 10 10 CBCE CC(=O)C(=O)COC(=O)C1(N2CCOCC2)CCC1 808533121 UUOWGIDWNNSDDK-UHFFFAOYSA-N 269.297 -0.057 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 859901359 LPIDRKZNEOKONM-SECBINFHSA-N 293.279 -0.526 10 10 CBCE CON(C1CNC1)S(=O)(=O)Cc1ccc(N)cc1 2071729256 JHWSZFZOKMGBFT-UHFFFAOYSA-N 271.342 -0.066 10 10 CBCE NCCC(CCN)NC(=O)Cc1ccc(N)cc1 2084908163 VAOCOPQATBEINI-UHFFFAOYSA-N 250.346 -0.006 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@@H]3C(N)=O)cc21 2089365558 LPFMVEPEGPOKOT-KOLCDFICSA-N 260.297 -0.273 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCO[C@@H]1C(N)=O 2117474860 ZGINKZGMUGGLJO-WPRPVWTQSA-N 264.285 -0.578 10 10 CBCE O=C(N[C@@H]1CCNC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132349126 ZBGPEKFWOCCMIM-XCBNKYQSSA-N 268.269 -0.744 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2[C@@H]3CNC[C@@H]32)cc1 2191634895 QGDPISHLGHBSSQ-CLLJXQQHSA-N 297.380 -0.215 10 10 CBCE C[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@@H]1O 2197963208 AASORZGUXPJCKV-SCRDCRAPSA-N 278.308 -0.006 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(C(=O)COc3ccc(N)cc3)C[C@H]21 2201309792 XIPSHFXXELBBEC-PJXYFTJBSA-N 275.308 -0.163 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1[C@@H](C)O 2269692426 VWXBXZGEZXECBI-IGJVIKARSA-N 267.325 -0.049 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2311701449 BNCMSSBVQCCQQL-KKBFJBPOSA-N 253.298 -0.357 10 10 CBCE Nc1ccc(NC(=O)CN2CCNC(=O)C2=O)cc1 2343033021 SBSAOEQLEVVEHV-UHFFFAOYSA-N 262.269 -0.834 10 10 CBCE C[C@H]1O[C@@H](Oc2ccc(N)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 4513767 CITVZWPAGDTXQI-FDMIMSKNSA-N 255.270 -0.525 10 10 CBCE O=C(CN1C(=O)CSC1=S)N1CCOCC1 82302396 IUWBQRFBFWVVGM-UHFFFAOYSA-N 260.340 -0.295 10 10 CBCE CCOC(=O)CNC(=O)[C@H](N)c1ccc(O)cc1O 83496873 INVBCZJWZOSZTL-LLVKDONJSA-N 268.269 -0.223 10 10 CBCE N[C@H](c1nnc(C[C@@H](O)C(=O)O)o1)c1ccccc1O 83588119 KQIOPDNTOAXREX-SCZZXKLOSA-N 279.252 -0.189 10 10 CBCE COC(=O)[C@@H]1COCCN1C(=O)c1cc(O)nc(O)c1 163511758 ZQZXXVZFHYLLEG-QMMMGPOBSA-N 282.252 -0.493 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1 323344622 YDSNAVLRPHDYPK-MNOVXSKESA-N 272.326 -0.552 10 10 CBCE COc1ccc(CN2CCOC[C@]2(CN)CO)c(O)c1 693978895 UUSIBLNGBQGTBS-AWEZNQCLSA-N 282.340 -0.077 10 10 CBCE C[C@H](NCc1cc2c(cc1O)OCO2)[C@H](O)CO 698995602 QXUMDGKLIAJGRK-OIBJUYFYSA-N 255.270 -0.048 10 10 CBCE CC(=O)C(=O)COC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 808539771 JINOGXFOJAVLGC-BDAKNGLRSA-N 255.270 -0.021 10 10 CBCE CN1CC(=O)N(CC(=O)NCc2cccc(O)c2O)C1=O 1651173208 UJTZMCBWQZNGLT-UHFFFAOYSA-N 293.279 -0.392 10 10 CBCE Nc1ccc(OCC(=O)NC[C@]2(N)CCOC2)cc1 1876512655 FZJVUPGDONKPHJ-CYBMUJFWSA-N 265.313 -0.118 10 10 CBCE OCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1 2029661411 BBIKIULHISFTAB-OLZOCXBDSA-N 253.298 -0.263 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N3CCN(C)C(=O)C3)c2n1 2063071742 IWCRTAOJZGFYNQ-UHFFFAOYSA-N 289.295 -0.342 10 10 CBCE NC(=O)COC1CN(C(=O)Nc2ccc(N)cc2)C1 2089136023 SXGBCMIGHDVSLM-UHFFFAOYSA-N 264.285 -0.013 10 10 CBCE NCCO[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2112683497 MUAQBPSZMRETHM-VIFPVBQESA-N 267.285 -0.317 10 10 CBCE OC[C@@H]1C[C@H](NCc2cccc(O)c2O)[C@H](O)[C@H]1O 2121475261 PNXXFXYXBNGRFA-VDUILEQBSA-N 269.297 -0.710 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](CO)[C@@H](N)C2)cc1 2191630740 DVRCPGKHKGDYBZ-AAEUAGOBSA-N 299.396 -0.260 10 10 CBCE CCn1nnc(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2197871383 GTWGLCFBNRWDJK-UHFFFAOYSA-N 279.256 -0.260 10 10 CBCE O=C(CN1CC[C@H]1[C@@H](O)CO)c1ccc(O)c(O)c1 2270709483 NVASULMNUMEIRJ-ZANVPECISA-N 267.281 -0.292 10 10 CBCE CO[C@@H]1[C@H](O)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2271142821 CPAIGMOEDIIXEG-CGYDSVCVSA-N 269.253 -0.319 10 10 CBCE CN(C(=O)CN1CC[C@H]1[C@H](O)CO)c1ccc(N)cc1 2286203809 BEEWVEXCWZZBJK-QWHCGFSZSA-N 279.340 -0.341 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)[C@H](O)C3)ccc2[C@H]1O 2308449077 QEBFOMXUSRLAMD-GMTAPVOTSA-N 250.254 -0.786 10 10 CBCE C[C@H](NC(=O)[C@H]1NC[C@@H](O)[C@H]1O)c1ccccc1O 2332934668 OEJOHRVANKWBNC-FPQWWODTSA-N 266.297 -0.737 10 10 CBCE COC(=O)[C@H](CN)N1CCc2cc(O)c(O)cc2C1 2341198011 NACJPHYBIWCXDC-JTQLQIEISA-N 266.297 -0.044 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1cc(OC)ccc1O 83496909 WKURBGUDTTYKMS-NSHDSACASA-N 268.269 -0.310 10 10 CBCE C[C@H]1CCCN(C(=O)C[C@H]2C(=O)NN(C)C2=O)C1 169995932 DRKAMOYECOEAKU-IUCAKERBSA-N 253.302 -0.246 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H](CO)O1 229992224 BOGPKSTZJFVVRC-VXNVDRBHSA-N 268.269 -0.285 10 10 CBCE CC(=O)NC1CN(C[C@H](O)COc2ccc(N)cc2)C1 387760406 FMLNSGJHFWTCRX-ZDUSSCGKSA-N 279.340 -0.171 10 10 CBCE [N-]=[N+]=NCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 394047288 JZFTXPCOTGRXBG-LURJTMIESA-N 254.250 -0.209 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1C(=O)O 687293242 MAQINIRSHFHFQA-SECBINFHSA-N 280.280 -0.061 10 10 CBCE CN(C)C[C@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@H]2N 708529282 VWWQLEYDARJSAQ-GWCFXTLKSA-N 278.356 -0.003 10 10 CBCE NC[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 2016969997 URQYLYVUWUADRY-SNVBAGLBSA-N 259.331 -0.992 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@H](O)[C@H](O)C2)cc1 2068406602 MTCIMNJKVFZDLU-NWDGAFQWSA-N 250.298 -0.235 10 10 CBCE C[C@@H](N)CNS(=O)(=O)CCOc1ccc(N)cc1 2071662083 MKGGEHPCUJCLLT-SECBINFHSA-N 273.358 -0.086 10 10 CBCE NC[C@@H](O)CCC(=O)NCCc1ccc(O)c(O)c1 2110231352 HMGNWXLHJWPDJL-JTQLQIEISA-N 268.313 -0.144 10 10 CBCE COc1cccc(CN(CC(N)=O)CC(=O)O)c1O 2136340213 NVNGVPJVCRTHPJ-UHFFFAOYSA-N 268.269 -0.227 10 10 CBCE NCCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2159493473 QLBPYRQMQZQHOY-VIFPVBQESA-N 282.296 -0.051 10 10 CBCE CN(CCS(=O)(=O)CCC(N)=O)c1ccc(CN)cc1 2161268899 XTJNUEPJVWVPPY-UHFFFAOYSA-N 299.396 -0.128 10 10 CBCE C[C@@H](O)CN(CCN)C(=O)c1cccc(O)c1O 2257625917 AJTSMWHHGJBKMO-MRVPVSSYSA-N 254.286 -0.121 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)O 2332874537 ZUIWACDMDQOKPA-FAQVLOEFSA-N 267.281 -0.056 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1CC(O)C1 91524068 RIYAWPVKOXAMPJ-ILDUYXDCSA-N 280.324 -0.145 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@H](O)C1)OCCO2 236368791 AIBJMVWVQQGSDH-AOOOYVTPSA-N 252.270 -0.418 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692828464 ZEACOKCTKMWIGJ-MRVPVSSYSA-N 290.349 -0.316 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)C[C@@H]1CO 698130800 QRXDKXQCPNNNLB-HTQZYQBOSA-N 253.254 -0.335 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)Cc1nnnn1C 707664812 GKUFJFQHSPEPBT-UHFFFAOYSA-N 275.316 -0.137 10 10 CBCE NC(=O)[C@H]1COCCN1c1ccc2c(c1)NC(=O)[C@H]2N 723202086 RHFIRLVKALHGSY-MNOVXSKESA-N 276.296 -0.671 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1912206743 LABXSRKLQJGDLF-ZETCQYMHSA-N 264.245 -0.140 10 10 CBCE NC[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 2016965114 URQYLYVUWUADRY-JTQLQIEISA-N 259.331 -0.992 10 10 CBCE NC[C@@H]1COCCN1C(=O)c1cc(O)nc(O)c1 2035626740 XWZBAXAMYRVPEB-MRVPVSSYSA-N 253.258 -0.708 10 10 CBCE C[C@@]1(CNC(=O)c2cc(O)nc(O)c2)CNCCO1 2087023941 FITILTRVNSOWKL-LBPRGKRZSA-N 267.285 -0.399 10 10 CBCE Nc1ccc(OCCC(=O)NCC[C@H](O)CO)cc1 2125848320 ZSXZHQSBZUTALE-NSHDSACASA-N 268.313 -0.103 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)CC12CNC2 2130046360 CECQEASBEXWLAB-QMMMGPOBSA-N 265.269 -0.958 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2COC[C@H]21 2186369275 CYRKZARHGGFPSV-OUAUKWLOSA-N 278.308 -0.175 10 10 CBCE CN(C(=O)CN1CC[C@H](O)[C@H](O)C1)c1ccc(N)cc1 2188624078 QSJPCFBDZWPXDW-QWHCGFSZSA-N 279.340 -0.341 10 10 CBCE NC(=O)[C@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188868785 WWSJSNQUYNTLBJ-SSDOTTSWSA-N 282.252 -0.870 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3[C@H](N)[C@H]3C2)cc1 2191764579 XBMBDKVZRYMTCG-ITGUQSILSA-N 297.380 -0.134 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]1[C@@H](O)CO 2270715288 ZNEITWBDYSHXQD-XVKPBYJWSA-N 269.253 -0.629 10 10 CBCE O=S(=O)(CCO)N1CCc2cc(O)c(O)cc2C1 2318658856 VUIAPYNRSJAFFD-UHFFFAOYSA-N 273.310 -0.222 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@@H](CO)C1 396791629 CXDPPYVZHMCPRM-SCZZXKLOSA-N 267.281 -0.087 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCO[C@H]2CNC[C@@H]21 686540701 HGDXEXXPOSKMMR-CABZTGNLSA-N 264.281 -0.089 10 10 CBCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](CO)NC(N)=O)c1 1630365877 HAGWYNYDADIJDL-XCBNKYQSSA-N 297.311 -0.393 10 10 CBCE CNC1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 1876531106 JXCCJALOBIBGTA-UHFFFAOYSA-N 285.369 -0.119 10 10 CBCE CN1C[C@H](C(=O)O)N(Cc2ccc(N)cc2)CC1=O 1891832190 VMNAOPUDYDJQRA-LLVKDONJSA-N 263.297 -0.004 10 10 CBCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)CO 2068575607 DDKRYYVPGLMMLL-CDUCUWFYSA-N 257.242 -0.725 10 10 CBCE COc1ccc(O)c([C@@H](C)NCCNS(N)(=O)=O)c1 2101343805 SCJQHTTVYLYKOX-MRVPVSSYSA-N 289.357 -0.156 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@@H](O)C1)OCCO2 2105074663 OHKFQCUVTNHPQL-DTORHVGOSA-N 266.297 -0.028 10 10 CBCE NCc1ccc(N2CCN(C[C@@H](O)CO)CC2)c(F)c1 2178040941 SZNFMEXZBKQQKW-GFCCVEGCSA-N 283.347 -0.240 10 10 CBCE N[C@@H]1CCc2cc(N3CC4(C3)OC[C@@H](O)[C@H]4O)ccc21 2184730091 RFCAKMYYTBPQQM-MGPQQGTHSA-N 276.336 -0.057 10 10 CBCE C[C@]1(O)CN(C(=O)c2cc(O)nc(O)c2)CC[C@@]1(C)O 2194606042 CWOQXVKZBCPDAL-OLZOCXBDSA-N 282.296 -0.159 10 10 CBCE O=C(O)[C@@H](c1ccc(O)c(O)c1O)N1C(=O)C=CC1=O 83587746 SFXQMHWCCIJSOM-SECBINFHSA-N 279.204 -0.146 10 10 CBCE O=C(N[C@]1(C(=O)O)CCOC1)c1cc(O)nc(O)c1 85852731 GJLIIWXSWWAMMF-LLVKDONJSA-N 268.225 -0.534 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(=O)NC(=O)[C@H]1C 97290190 WXOJNKSSSPGANR-DTWKUNHWSA-N 290.323 -0.057 10 10 CBCE CNC(=O)NS(=O)(=O)CCOc1ccc(N)cc1 158773404 IUBZWNPKXVRAOI-UHFFFAOYSA-N 273.314 -0.094 10 10 CBCE NC(=O)CC[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 236231689 AHXHATWQJGXPLM-SSDOTTSWSA-N 282.252 -0.454 10 10 CBCE CNC(=O)CN(CCCCN=[N+]=[N-])CC(=O)NC 1912162480 WNRLZZXVRCGQNU-UHFFFAOYSA-N 256.310 -0.129 10 10 CBCE Nc1ccc(O)c(CNS(=O)(=O)C2COC2)c1 1923230320 JJPZZIZMUAZNCI-UHFFFAOYSA-N 258.299 -0.207 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CCNC[C@@H]2CO)cc1 1971920673 OOBXXNBUIGQOQM-DGCLKSJQSA-N 263.341 -0.102 10 10 CBCE N[C@H]1COC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 2036569410 UVFMGWFECJBOBX-IUCAKERBSA-N 252.270 -0.199 10 10 CBCE O=C(NC[C@@H]1COC[C@@H]1O)c1cccc(O)c1O 2036580597 UMIFZYCIHSSVRU-XCBNKYQSSA-N 253.254 -0.165 10 10 CBCE CO[C@@H]1CNC[C@H]1Nc1c(N)cccc1C(N)=O 2071715679 DKJOTWHMTDRBOZ-NXEZZACHSA-N 250.302 -0.234 10 10 CBCE COC[C@@H](NC(=O)COc1ccc(N)cc1)C(N)=O 2096060624 VEBVRKQYVPZLNK-SNVBAGLBSA-N 267.285 -0.736 10 10 CBCE Nc1ccc(CNS(=O)(=O)N2CC(C(=O)O)C2)cc1 2108033879 AZNQNIXFZSPOTP-UHFFFAOYSA-N 285.325 -0.380 10 10 CBCE C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)C(=O)O 2132348163 FRWNPSPFBJJDLQ-VHWMUFPASA-N 271.225 -0.633 10 10 CBCE C[C@@H](O)CNCCNC(=O)c1cc(O)c(O)c(O)c1 2132400562 NKHCLGUEPBJKLB-SSDOTTSWSA-N 270.285 -0.496 10 10 CBCE O=C(O)[C@H]1[C@H]2[C@@H]1OCCN2C(=O)c1cc(O)nc(O)c1 2149279093 DOQSETWCTLGCQL-LPEHRKFASA-N 280.236 -0.583 10 10 CBCE CN1[C@H](Cn2ccc3c(c2=O)CNCC3)CCS1(=O)=O 2150795013 GCBUHTFUYMNAHC-NSHDSACASA-N 297.380 -0.472 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC2(CNC2)O1 2288579652 FTIVOUUAXFORDD-QMMMGPOBSA-N 279.296 -0.304 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCS(=O)(=O)CC3)cc21 131348844 MREQCNSDNOMPFZ-LBPRGKRZSA-N 295.364 -0.102 10 10 CBCE Nc1cc2c(cc1N1CCO[C@H](CO)C1)NC(=O)CO2 166986637 QJNJLHYAXLRBHG-QMMMGPOBSA-N 279.296 -0.203 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@](O)(CO)C3)ccc21 313725322 KWMSVSINVLJKAR-GXTWGEPZSA-N 277.324 -0.167 10 10 CBCE CN(C[C@H](O)COc1ccc(N)cc1)C(CO)CO 388348544 LHUXDUIMOCCLQA-LBPRGKRZSA-N 270.329 -0.707 10 10 CBCE NC(=O)[C@H]1CN(Cc2cccc(F)c2O)C[C@@H]1C(N)=O 693451677 AIMIGJJGWZDIRU-IUCAKERBSA-N 281.287 -0.450 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC/C=C\CO 717476506 YXWHRKDPRFSVAM-SYBPUXJVSA-N 266.297 -0.368 10 10 CBCE O=C(C[C@H]1CC(=O)NC1=O)NCc1ccc(O)c(O)c1 1150378641 SNZYPMZYLQWQLM-QMMMGPOBSA-N 278.264 -0.233 10 10 CBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)Nn2ccnn2)c1 1636059143 FKOMMNCQYNHQKY-UHFFFAOYSA-N 297.296 -0.261 10 10 CBCE NC(=O)N1CC(NCc2cc3c(cc2O)OCO3)C1 1917756688 NZQMTHYPOFSXOB-UHFFFAOYSA-N 265.269 -0.027 10 10 CBCE CN1C[C@H](O)[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2029863924 MPWLCPZFLZDKEZ-KCJUWKMLSA-N 252.270 -0.498 10 10 CBCE NC[C@@H]1C[C@H](O)CN1C(=O)c1cccc(O)c1O 2067383297 OBSNUEOHPUGIAD-YUMQZZPRSA-N 252.270 -0.368 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1N 2090581383 XSSJXHHPXDTPSJ-IUCAKERBSA-N 267.285 -0.319 10 10 CBCE CN(C)[C@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@@H]1O 2146156977 NOWIQVPTTKDLNZ-HZMBPMFUSA-N 280.324 -0.113 10 10 CBCE CN(c1cc2c(cc1N)OCC(=O)N2)C1CS(=O)(=O)C1 2152231603 WBBFHQOTRWQURY-UHFFFAOYSA-N 297.336 -0.167 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@H](O)C1 2177948147 KBMKHYCWNVBBSU-DCAQKATOSA-N 280.324 -0.003 10 10 CBCE C[C@]1(O)CCN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 2197969330 YMHDQYJLXIXVNE-JSGCOSHPSA-N 280.324 -0.008 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)[C@@H]2COC[C@@H]21 2356974698 AKCWHQCEISKZAN-VHSKPIJISA-N 281.264 -0.365 10 10 CBCE COc1ccc(CN(CC(N)=O)CC(N)=O)c(O)c1 134025370 MOIQTMMXFKPRDO-UHFFFAOYSA-N 267.285 -0.827 10 10 CBCE CN1CC(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 381766743 IMPMQWCQYLOPKY-JTQLQIEISA-N 265.313 -0.602 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1C(=O)O 687293243 MAQINIRSHFHFQA-VIFPVBQESA-N 280.280 -0.061 10 10 CBCE NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 707424223 SYBKWPGJGDVYEO-QMMMGPOBSA-N 286.309 -0.399 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(CC(N)=O)C3)cc21 723183558 VBPKUXYXDYRIHO-ZDUSSCGKSA-N 274.324 -0.026 10 10 CBCE O=C(CCc1nn[nH]n1)NCc1cccc(O)c1O 1593744851 VIPRCPLAYJKJSS-UHFFFAOYSA-N 263.257 -0.140 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@H](O)[C@@H](O)C1 1643711010 IAQKSGSQPYRZSK-SCZZXKLOSA-N 253.254 -0.335 10 10 CBCE COc1ccc(CNCCNS(N)(=O)=O)c(O)c1 2039813886 OXQPOLNXDPALJG-UHFFFAOYSA-N 275.330 -0.717 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2104425626 QTAQWLFZDVWXKQ-OJDJGZDQSA-N 262.309 -0.236 10 10 CBCE COc1ccc(N2CCNC[C@H]2C(N)=O)c(OC)c1 2106324784 BRMYRCDGEIFRIZ-NSHDSACASA-N 265.313 -0.033 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1O 2108832688 QWEDGMFSZNGFHM-CZFNTMQRSA-N 269.297 -0.397 10 10 CBCE CCC(CO)(CO)NC(=O)c1cc(O)c(O)c(O)c1 2132348760 RPIUNXXVBRGPRQ-UHFFFAOYSA-N 271.269 -0.333 10 10 CBCE O=C(N[C@H]1CCNC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132349127 ZBGPEKFWOCCMIM-XVKPBYJWSA-N 268.269 -0.744 10 10 CBCE O=C1N[C@@H]2CN(Cc3c(O)cccc3F)C[C@H]2NC1=O 2166791638 VBLDPMQOXFCBET-NXEZZACHSA-N 279.271 -0.670 10 10 CBCE O[C@@H]1CCc2cc(N3CC4(C3)OC[C@@H](O)[C@H]4O)ccc21 2184738119 PSEGFHVYDUSQHU-MGPQQGTHSA-N 277.320 -0.023 10 10 CBCE CNCCn1cnc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1 2225233745 QYUKFVRTOQRCIZ-MGCOHNPYSA-N 264.329 -0.018 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1ccc(N)cc1 2236139784 CZDSTNCPUREOBW-NSHDSACASA-N 278.312 -0.023 10 10 CBCE O=C(NCc1nc(O)n[nH]1)c1ccc(O)c(O)c1 392683293 FXCZJJXIOVTZPF-UHFFFAOYSA-N 250.214 -0.149 10 10 CBCE CN(C(=O)CN1CCOC[C@H](O)C1)c1ccc(N)cc1 399837007 ALONZAFREGMTHQ-CYBMUJFWSA-N 279.340 -0.075 10 10 CBCE OCC(CO)(CO)NCc1cc(F)cc(F)c1O 708454240 NXVXAUGEJNJSSJ-UHFFFAOYSA-N 263.240 -0.524 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H]1c1nn[nH]n1 720636542 JPPMGWOMGKGUAI-ZETCQYMHSA-N 276.256 -0.017 10 10 CBCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](CO)C1 1557711113 IMTLXPMNZGOQKL-LLVKDONJSA-N 280.324 -0.225 10 10 CBCE OC[C@@H]1COC[C@@H]1NCc1ccc(O)c(O)c1O 2029851103 NKJAWUNUTWRMCV-BDAKNGLRSA-N 255.270 -0.100 10 10 CBCE Nc1ccc(O)c(CNC(=O)[C@@H]2CCS2(=O)=O)c1 2033313542 QBWQGEOAEMABGM-JTQLQIEISA-N 270.310 -0.222 10 10 CBCE CN1C[C@H](O)[C@H](Nc2c(N)cccc2C(N)=O)C1 2046433056 LIRLIGAKARTIFG-ZJUUUORDSA-N 250.302 -0.546 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@H](O)[C@H](O)C2)cc1 2132114220 BMGMTUNSJMCHTM-NWDGAFQWSA-N 265.313 -0.365 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1Cc1cc(F)ccc1O 2136095689 LPABPERYEDBISA-OUAUKWLOSA-N 271.244 -0.478 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H]3OC(=O)N[C@@H]3C2)cc1 2176919671 GCANFYAFAANHDL-MNOVXSKESA-N 277.280 -0.033 10 10 CBCE Cc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)ccc1CN 2225731372 ZNFWEJNCLVXNNG-KBPBESRZSA-N 266.341 -0.252 10 10 CBCE NCc1cc(F)c(N2CC[C@](O)(CO)[C@@H](O)C2)c(F)c1 2234104363 GPTNNULYDSYUIP-AAEUAGOBSA-N 288.294 -0.282 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1CCNC(=O)[C@@H]1C(N)=O 2240828289 BUWFUJUIXOWLMK-SKDRFNHKSA-N 277.324 -0.162 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1F 2273652275 WYSXSSYDKLMBHC-TVYUQYBPSA-N 270.304 -0.565 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)O 2332873156 ZUIWACDMDQOKPA-FAQVLOEFSA-N 267.281 -0.056 10 10 CBCE C[C@@H]1SC(=S)N(CCC(=O)NCCO)C1=O 11636048 GBNHYMWUQLQYAU-LURJTMIESA-N 262.356 -0.266 10 10 CBCE CN(C)CCNC(=O)[C@@H](N)c1ccc(O)c(O)c1 83395667 OPKOKVZLIRSBHG-NSHDSACASA-N 253.302 -0.225 10 10 CBCE N[C@@H](CCC(=O)O)C(=O)NCc1ccc(O)cc1O 83496859 GPSZXMRPGIWJTO-VIFPVBQESA-N 268.269 -0.094 10 10 CBCE O=C(N[C@H]1COC[C@H]1C(=O)O)c1cccc(O)c1O 126054365 GVEWRUPFQKOTFZ-SFYZADRCSA-N 267.237 -0.073 10 10 CBCE Cn1nnc(NS(=O)(=O)Cc2ccc(N)cc2)n1 127030725 SKWAXJIAZSCQFR-UHFFFAOYSA-N 268.302 -0.266 10 10 CBCE CN1CC[C@H](NC(=O)COc2ccc(N)cc2)C1=O 230197798 UGMBITHTOQKCQW-NSHDSACASA-N 263.297 -0.006 10 10 CBCE COc1ccc(CNC(CO)(CO)CO)c(O)c1 234865183 CNFIITKCABAMLE-UHFFFAOYSA-N 257.286 -0.794 10 10 CBCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)N1C(=O)CNC1=O 236445794 HPSJIUULQWQSNL-SSDOTTSWSA-N 280.236 -0.355 10 10 CBCE CNC[C@H](O)CN(C)C(=O)c1cc(O)nc(O)c1 708836629 JYGWGRCYTJVHNS-QMMMGPOBSA-N 255.274 -0.855 10 10 CBCE C[C@H](CNC(=O)c1cc(O)cs1)S(N)(=O)=O 768591613 VYYNTZJCGHSNHG-RXMQYKEDSA-N 264.328 -0.140 10 10 CBCE CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)C(C)=O 808515067 IYUTVVUAHMGIJF-MRVPVSSYSA-N 273.310 -0.001 10 10 CBCE NC(=O)CC[C@H](NC(=O)COc1ccc(N)cc1)C(=O)O 1860080846 RTDLSIDNIJWROG-JTQLQIEISA-N 295.295 -0.518 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCNC[C@@H](O)C1 1971083493 IQHULIZUKBWLMF-SNVBAGLBSA-N 266.297 -0.567 10 10 CBCE COC[C@@H](NCc1cc2c(cc1O)OCO2)C(N)=O 2096065768 ORCGOTDHDYNILR-MRVPVSSYSA-N 268.269 -0.289 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@@H]2CNCCS2(=O)=O)C1 2112562781 PILAYELRVHKERR-OPRDCNLKSA-N 288.369 -0.971 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2136346272 YOEUVVBIOLFSTA-JBLDHEPKSA-N 274.267 -0.674 10 10 CBCE Nc1ccc(NC(=O)N2CCOC[C@H]2[C@@H](O)CO)cc1 2146335452 WLZIFOYICYMITE-RYUDHWBXSA-N 281.312 -0.145 10 10 CBCE C[C@]1(NC(=O)c2cc(O)nc(O)c2)CCC(=O)NC1=O 2172827166 GGWAUPUKAMCNQS-LBPRGKRZSA-N 279.252 -0.582 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]2COC[C@H]12 2188919924 QRUHFQRUWOHUNL-HLTSFMKQSA-N 280.280 -0.399 10 10 CBCE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1c(N)cccc1C(=O)O 2192675885 JIFJDHKNJFIHJC-UWVGGRQHSA-N 299.352 -0.236 10 10 CBCE Cc1cc([C@H](C)N)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CO 2232028813 QSTXXHLHNVGECQ-NZPIUUIZSA-N 266.341 -0.083 10 10 CBCE CS(=O)(=O)[C@@H]1CCC[C@@]1(NCCN=[N+]=[N-])C(N)=O 90258232 ZDSIVZAUALXRBQ-APPZFPTMSA-N 275.334 -0.293 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2ccccc2O)C1 228414548 FXNVCSXPBFIGCZ-GXSJLCMTSA-N 257.311 -0.360 10 10 CBCE C[C@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CC(=O)N1 395741413 YEUNNIWIPZHLPG-SDBXPKJASA-N 274.324 -0.013 10 10 CBCE O=C(c1cccc(O)c1O)N1CCO[C@@H]2CNC[C@H]21 686540527 CDMQSBFFRRDOJZ-MWLCHTKSSA-N 264.281 -0.089 10 10 CBCE Cn1ncc(S(=O)(=O)Nc2ccc(O)cc2N)n1 2027814283 DNVPTGATDMRJAW-UHFFFAOYSA-N 269.286 -0.096 10 10 CBCE COC[C@@H](NCc1ccc(O)c(O)c1O)C(N)=O 2034939923 JRYRHJLPRFIVGD-SSDOTTSWSA-N 256.258 -0.607 10 10 CBCE COc1ccc(N(C)C[C@@H]2NC[C@@H](O)[C@H]2O)cc1 2081018318 NPVXAZYSCPRVCK-XQQFMLRXSA-N 252.314 -0.175 10 10 CBCE Nc1ccc(CCN2CCOC[C@@H]2[C@@H](O)CO)cc1 2090136478 PZPYLSZJFQWMIS-KGLIPLIRSA-N 266.341 -0.135 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2cc(F)cc(F)c2O)C1 2121363556 IQFMXCYMBVGBIL-VHSXEESVSA-N 293.291 -0.082 10 10 CBCE CN(C)[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1O 2146156990 NOWIQVPTTKDLNZ-QMTHXVAHSA-N 280.324 -0.113 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3OC(=O)N[C@@H]3C2)cc1 2176918428 WIPCILAFXNDIDX-MNOVXSKESA-N 297.336 -0.109 10 10 CBCE Nc1ccc(OCCC(=O)N2CCNC[C@@H]2CO)cc1 2191712301 ODBHGOJPGSGSJJ-GFCCVEGCSA-N 279.340 -0.170 10 10 CBCE CS(=O)(=O)[C@H]1CNC[C@@H]1NC(=O)Cc1ccc(N)cc1 2192674353 GDVCYLKOUFTTEY-RYUDHWBXSA-N 297.380 -0.688 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)ccc1CN 2289485133 HYJJKIRRKAETRT-OSMZGAPFSA-N 282.340 -0.696 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](C(=O)O)C1 62136015 OKRFXRHHKKVZIS-UWVGGRQHSA-N 294.307 -0.099 10 10 CBCE O=c1[nH]c(O)c(O)cc1-c1cc(O)c(O)nc1O 85598556 NBIHFUSWKJIAKM-UHFFFAOYSA-N 252.182 -0.035 10 10 CBCE in-vitro COc1ccc(N2CCNC(=O)[C@H]2CN)cc1OC 217136135 QQGDZJYMRZBJMX-SNVBAGLBSA-N 265.313 -0.033 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)CCc1ccc(N)cc1 227202215 DFXLGOQBKWZJCE-NSHDSACASA-N 266.297 -0.149 10 10 CBCE CN(CCOCCO)C(=O)c1cc(O)nc(O)c1 302270052 AGYJMAGNIIERJX-UHFFFAOYSA-N 256.258 -0.426 10 10 CBCE CN(C)C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 702221350 BYSGKMDUEDBMHL-MRVPVSSYSA-N 268.269 -0.158 10 10 CBCE CN(CCS(N)(=O)=O)C(=O)CCc1ccc(N)cc1 719722118 BPCVGKICVIBWAD-UHFFFAOYSA-N 285.369 -0.052 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)N2CC[C@@H](O)C2)C1 1912171999 QOBVTPDFHJKUNE-HTQZYQBOSA-N 261.307 -0.318 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)c(F)c1 1924754857 VWUKIBMHDSXUSL-OCAPTIKFSA-N 298.295 -0.058 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@@H]2CO)cc1 2101298166 JKLIPEOMMXJFJZ-SKDRFNHKSA-N 286.353 -0.052 10 10 CBCE O=C(N[C@@H]1CCNC[C@@H]1CO)c1cc(O)nc(O)c1 2116265074 IXEQAYMTGIPCOJ-RKDXNWHRSA-N 267.285 -0.807 10 10 CBCE Nc1ccc(CC(=O)NC2[C@H]3CS(=O)(=O)C[C@H]23)cc1 2118077391 JEVWNLUICYTWJF-QWRGUYRKSA-N 280.349 -0.030 10 10 CBCE O=C(NCc1cc(CO)n[nH]1)c1cc(O)nc(O)c1 2120110334 CIMFDZVZGMVRCJ-UHFFFAOYSA-N 264.241 -0.362 10 10 CBCE NC1CC(O)(C(=O)NCCc2ccc(O)c(O)c2)C1 2127769671 YWABRLRBNPXNAV-UHFFFAOYSA-N 266.297 -0.391 10 10 CBCE NC(=O)[C@H]1CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2145616890 LSUFVMRNHFHTEX-DTWKUNHWSA-N 279.296 -0.946 10 10 CBCE COC1(CO)CN(C[C@H](O)COc2ccc(N)cc2)C1 2157304526 RRTBIGYKSIFCIO-LBPRGKRZSA-N 282.340 -0.298 10 10 CBCE CNC(=O)[C@H]1CNCCN1C(=O)Nc1ccc(N)cc1 2191528065 BNEDRJSUQXPPNI-LLVKDONJSA-N 277.328 -0.180 10 10 CBCE CSc1ncc(CNS(=O)(=O)N2CC(N)C2)s1 2248743725 KCCKLCKPKMMDFC-UHFFFAOYSA-N 294.427 -0.158 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1CC(O)(CO)C1 2269141234 DGGRJHNDSYQOCT-UHFFFAOYSA-N 267.281 -0.358 10 10 CBCE NC1(C(=O)N[C@H](Cc2ccc(O)c(O)c2)C(=O)O)CC1 88130726 ICMGLEAZOUIFPG-MRVPVSSYSA-N 280.280 -0.299 10 10 CBCE C[C@@H](O)[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 235233205 PIVURBHJDMIRFT-ANLVUFKYSA-N 255.226 -0.338 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1C(=O)c1ccc(O)c(O)c1 235368085 PVJFNWJXJMQGNG-LURJTMIESA-N 264.237 -0.415 10 10 CBCE CN(CC(=O)O)c1ccc2c(c1)CC(=O)N2C[C@@H](O)CO 259511189 RPXPQVGIFSUEKO-LLVKDONJSA-N 294.307 -0.550 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@@H]1CCCNC1=O 691527327 UGKNKNHJBTUACX-GFCCVEGCSA-N 276.340 -0.165 10 10 CBCE Cc1ccc([C@@H](C)NC(C(N)=O)C(N)=O)c(O)c1 695344383 RRBWBVDAQPBDCV-SSDOTTSWSA-N 251.286 -0.310 10 10 CBCE COC(=O)C[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876127 SPVHMEYQGPAAAH-ZCFIWIBFSA-N 299.235 -0.451 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)N2CC(O)C2)C1 1912160327 UPUNBDMDTDWCJV-ZETCQYMHSA-N 261.307 -0.460 10 10 CBCE NC(=O)C1(O)CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 1915237288 CVYUALBLHKKPTB-UHFFFAOYSA-N 267.241 -0.877 10 10 CBCE O=C1N[C@H]2CN(Cc3c(O)cccc3F)C[C@H]2NC1=O 1974194675 VBLDPMQOXFCBET-AOOOYVTPSA-N 279.271 -0.670 10 10 CBCE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@H](O)C(=O)O 2056769459 SJVNSYNIDRDWCV-NVNXEXLPSA-N 256.214 -0.943 10 10 CBCE Nc1ccc(O)c(CN2CC3(C2)OC[C@H](O)[C@@H]3O)c1 2127255507 AFJUYLBUMAPJGC-RYUDHWBXSA-N 266.297 -0.719 10 10 CBCE Cc1cc(CN)ccc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2127255735 ZCMAQEHZVFKQRT-STQMWFEESA-N 264.325 -0.235 10 10 CBCE CN(C)C[C@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2132349480 DIZNKUDCNQLKKO-MRVPVSSYSA-N 270.285 -0.544 10 10 CBCE Nc1ccc(CC(=O)N2CC(=O)NC[C@H]2C(=O)O)cc1 2150684568 JQPATIDNTKKWDQ-JTQLQIEISA-N 277.280 -0.777 10 10 CBCE O=C(CN1C[C@H](O)[C@@H]2COC[C@H]21)c1ccc(O)c(O)c1 2158386133 IPVGOWMMZYBNOL-RULNRJAQSA-N 279.292 -0.028 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC3(CNC(=O)N3)C2)cc1 2177697134 ZQLDFEWHPMGOEZ-UHFFFAOYSA-N 296.352 -0.534 10 10 CBCE COc1ccc(N2CC[C@](O)(C(N)=O)C2)c(N)c1 311067492 YIKGPFVLLNSXSU-GFCCVEGCSA-N 251.286 -0.296 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CC[C@](O)(CO)C2)cc1 313798271 LSNUPBGHSPCVEP-GXTWGEPZSA-N 282.340 -0.562 10 10 CBCE CNC(=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 382273173 JHSKAABZTOWRHH-UHFFFAOYSA-N 250.254 -0.084 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@H](O)[C@H](CO)C2)cc1 396814542 UMCIKSGRZVBLMH-GWCFXTLKSA-N 279.340 -0.118 10 10 CBCE COC(=O)COCC(=O)NCc1cccc(O)c1O 1558160854 BINJNSZBLBAGBR-UHFFFAOYSA-N 269.253 -0.096 10 10 CBCE Nc1ccc(CC(=O)NCCS(=O)(=O)O)cc1 1865955544 YPUHEDLEXKSBKW-UHFFFAOYSA-N 258.299 -0.185 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@@H](O)C1)OCCO2 1876328042 AERNVPDUNIGXLO-SECBINFHSA-N 265.313 -0.190 10 10 CBCE C[C@H](O)CNCCNC(=O)COc1ccc(N)cc1 1876514380 LPTFJWGBMNKORT-JTQLQIEISA-N 267.329 -0.266 10 10 CBCE CO[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)C[C@H]1OC 2047395911 BQCLTEKOHAOFBP-MBTKJCJQSA-N 257.294 -0.066 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NCc1cccc(O)c1O 2053780490 PKQUONKDOTYIKE-KCJUWKMLSA-N 252.270 -0.170 10 10 CBCE C[C@H](O)[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 2053807356 ZYRRTDRVXBEOSG-KWQFWETISA-N 274.342 -0.570 10 10 CBCE NC(=O)NC1CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2132052974 HDNKYYPQQPEEBV-UHFFFAOYSA-N 266.257 -0.056 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@H]1NCc1ccc(O)cc1O 2142489832 GSKVEZRTWHFXTL-ZYHUDNBSSA-N 287.337 -0.001 10 10 CBCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C1COC1 2176489826 PLYMZNUNEXBAJY-SECBINFHSA-N 281.264 -0.144 10 10 CBCE N[C@@H]1CC(C(=O)NCCc2ccc(O)c(O)c2)=C[C@@H]1O 2188028149 XJVJFQTULVGWLH-PWSUYJOCSA-N 278.308 -0.225 10 10 CBCE CN(C[C@H]1CNCCO1)C(=O)c1cc(O)c(O)c(O)c1 2188920913 ZOBWZQQCVBRMQH-SECBINFHSA-N 282.296 -0.136 10 10 CBCE O[C@H]1[C@H](O)COC12CN(c1ccc3c(c1)CCO3)C2 2226753449 WFJSHAIQNIMQCT-YPMHNXCESA-N 263.293 -0.068 10 10 CBCE N=c1nnc(OC[C@H]2Cc3ccccc3CN2)n[nH]1 2279028682 ODCKBLSYQRZCTK-SNVBAGLBSA-N 258.285 -0.228 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H](O)CCO 2351745041 FHLXHGTWFOGLKI-SNVBAGLBSA-N 269.297 -0.110 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc21 2354483889 FYEJNLNZKAFQLV-BBLBQAADSA-N 275.308 -0.431 10 10 CBCE CNC(=O)NC(=O)COc1ccc(N2CCNCC2)cc1 148444294 YJRIZZAWYQHMER-UHFFFAOYSA-N 292.339 -0.069 10 10 CBCE CN(C(=O)CN1C[C@H](O)C[C@@H]1CO)c1ccc(N)cc1 698112705 DMMUAFMNDRCPHY-CHWSQXEVSA-N 279.340 -0.341 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNCC[C@@H]2O)cc1 1876407362 XWGOJFLYPDPPGR-NEPJUHHUSA-N 285.369 -0.589 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@]2(N)CCOC2)cc1 1876417239 IJQCDKVWOVBJIR-LBPRGKRZSA-N 285.369 -0.194 10 10 CBCE COc1ccc(N(C)C[C@]2(O)CNC[C@@H]2O)cc1 2039437057 NBOZPHDOXZKKEV-QWHCGFSZSA-N 252.314 -0.173 10 10 CBCE CO[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N 2058633534 AYMZMYMYQKRAGX-WPRPVWTQSA-N 252.270 -0.104 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)C[C@H]2CNCCS2(=O)=O)C1 2112562780 PILAYELRVHKERR-GUBZILKMSA-N 288.369 -0.971 10 10 CBCE CC(C)(O)[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2131487339 FTVFYIHSMLQMDE-QMMMGPOBSA-N 270.241 -0.553 10 10 CBCE Nc1ccc(OCC(=O)NC2([C@@H](O)CO)CC2)cc1 2133570284 CGPSPZYRIRVYKI-NSHDSACASA-N 266.297 -0.350 10 10 CBCE C[C@H](NC(=O)[C@@H]1NC[C@H](O)[C@@H]1O)c1ccccc1O 2136444988 OEJOHRVANKWBNC-VKZDFBPFSA-N 266.297 -0.737 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@@H](O)[C@@H]1CF 2140658944 QGRBRONZVJSZKU-BYULHYEWSA-N 272.232 -0.992 10 10 CBCE O=C1N[C@@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]2NC1=O 2166791848 XWNGFIHGSXHBEA-NXEZZACHSA-N 295.726 -0.156 10 10 CBCE COc1cc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)ccc1CO 2204536462 NFFLBGAHONPKSB-YPMHNXCESA-N 281.308 -0.502 10 10 CBCE O=C(NCC[C@H](O)C(=O)O)c1ccc(O)c(O)c1 236539194 MOUPZFLYQNTFSU-QMMMGPOBSA-N 255.226 -0.337 10 10 CBCE CN1C[C@@H](NC(=O)CCOc2ccc(N)cc2)C(=O)N1 393903111 RABKNZCCZDVRPN-LLVKDONJSA-N 278.312 -0.501 10 10 CBCE C[C@@H](NC(=O)CCOc1ccc(N)cc1)[C@H](O)CO 698979569 UZSGKRCYFVVAME-BXKDBHETSA-N 268.313 -0.104 10 10 CBCE Nc1ccc(NC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(=O)O)cc1 1924750035 CLBBWZYBONLQJT-UWVGGRQHSA-N 298.320 -0.047 10 10 CBCE NC1(C(=O)NCCc2ccc(O)c(O)c2)COC1 2035930080 XLRSNCSAVRYXAN-UHFFFAOYSA-N 252.270 -0.516 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CNC[C@@H]2CCO3)C1 2049786068 IQZCUVIECWQSOO-YVNDNENWSA-N 252.314 -0.370 10 10 CBCE CN(C(=O)CN1C[C@@H](O)CO1)c1ccc(N)cc1 2052295400 QXFGWKXWGRFBMU-LLVKDONJSA-N 251.286 -0.160 10 10 CBCE Nc1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@@H]2CF)c1 2084796182 ASSBYMAIVBFAQA-DLOVCJGASA-N 256.277 -0.150 10 10 CBCE C[C@H](O)CN(CCO)C(=O)Cc1ccc(O)c(O)c1 2087726258 FMWFOQYOWOZBBX-VIFPVBQESA-N 269.297 -0.158 10 10 CBCE N[C@H]1COC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2091748987 UYYPESXZHZLQDG-UWVGGRQHSA-N 266.297 -0.270 10 10 CBCE O=C(NC[C@H]1CCS1(=O)=O)c1cc(O)c(O)c(O)c1 2132403465 KEWFLASWEOJBQR-SSDOTTSWSA-N 287.293 -0.280 10 10 CBCE N[C@H]1C[C@@H]2CN(Cc3ccc(O)c(O)c3)CCN2C1=O 2173417864 GMRNLAPSQFTZNT-MNOVXSKESA-N 277.324 -0.158 10 10 CBCE C[C@@]1(O)CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1O 2201526635 CSCKQHSMWMSIAV-TZMCWYRMSA-N 281.308 -0.016 10 10 CBCE N=c1nnc(OC[C@@]23CCC[C@@]2(F)CNC3)n[nH]1 2219012345 GHXKNUKFYTYTOU-VHSXEESVSA-N 254.269 -0.460 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(CN)c1 2235976420 FVEZHGOKJJFLMT-CHWSQXEVSA-N 280.324 -0.535 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@@H]1CO 48865497 JUPDLWDYFLAFKQ-MNOVXSKESA-N 280.324 -0.049 10 10 CBCE C[C@](O)(CO)CNC(=O)COc1ccc(N)cc1 90283820 CFOKOZYNJIOTIN-GFCCVEGCSA-N 254.286 -0.493 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCO[C@@H](CO)C3)cc21 227324703 NRNQUKYERYVKHD-MFKMUULPSA-N 277.324 -0.140 10 10 CBCE CN(C)C[C@@](C)(O)CNC(=O)c1cc(O)nc(O)c1 227905336 DWUGRLMFFPVMGO-LBPRGKRZSA-N 269.301 -0.465 10 10 CBCE C[C@@]1(CO)C[C@H](O)CN1C(=O)COc1ccc(N)cc1 698160490 WWMDZIXEDAJWND-FZMZJTMJSA-N 280.324 -0.008 10 10 CBCE COC(=O)C1(O)CN(C(=O)Cc2ccc(N)cc2)C1 714515640 XJBSMXYQGOPUQW-UHFFFAOYSA-N 264.281 -0.442 10 10 CBCE COC(=O)COCC(=O)NCc1cc(O)ccc1O 1593873277 NJSQNZBPWNSVPS-UHFFFAOYSA-N 269.253 -0.096 10 10 CBCE Nc1ccc(CCNS(=O)(=O)N2C[C@H]3C[C@H]2CN3)cc1 1616032618 VMORHOJZAIIJGD-OLZOCXBDSA-N 296.396 -0.308 10 10 CBCE O=C1NC(=O)[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@@H]12 1654588472 VULSKOFDMUIHHC-OLQVQODUSA-N 294.238 -0.419 10 10 CBCE [N-]=[N+]=NC1CN(S(=O)(=O)C2CS(=O)(=O)C2)C1 1912171462 KSSXQKNNNORBKH-UHFFFAOYSA-N 266.304 -0.892 10 10 CBCE O=C(c1cc(O)nc(O)c1)N(C1CNC1)C1COC1 2087486028 ODPOMSYAKDASJI-UHFFFAOYSA-N 265.269 -0.694 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)C[C@@H]3CO)ccc2[C@H]1O 2200831667 AVALAIRBWSWEPE-GBIKHYSHSA-N 278.308 -0.006 10 10 CBCE CN(C)c1ccc(OC[C@]2(O)CNC[C@@H]2O)cc1 2221878791 LXXHUCVSBGHQRV-QWHCGFSZSA-N 252.314 -0.173 10 10 CBCE CSc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)ccc1CN 2353852062 QTLUNGSRYDTYPN-MDZLAQPJSA-N 284.381 -0.230 10 10 CBCE CCN1CC(=O)N(CC(=O)Nc2ccc(N)cc2)CC1=O 94469027 IYPQSGOTUGUKAH-UHFFFAOYSA-N 290.323 -0.102 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@H](CO)C1 168348165 KZVQTWKLLWBUAX-QMMMGPOBSA-N 254.242 -0.674 10 10 CBCE COC(=O)[C@H](O)CNC(=O)c1ccc(O)c(O)c1 227046552 UTARNFLBHDVFHL-SECBINFHSA-N 255.226 -0.639 10 10 CBCE CN1CCNC[C@H]1CNC(=O)c1cccc(O)c1O 394102974 MPSPHVSJGIKXKE-VIFPVBQESA-N 265.313 -0.269 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCOC[C@H]2N)cc1 1876444060 XOOOTPGRQZPQKU-NEPJUHHUSA-N 265.313 -0.120 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CO[C@H]2CNC[C@@H]12 1876501108 XGFZWIDQVMEILB-GDPRMGEGSA-N 262.313 -0.234 10 10 CBCE CSc1ncc(CNCC(N)(CO)CO)s1 1903050956 PGOSTJIKECQFEE-UHFFFAOYSA-N 263.388 -0.363 10 10 CBCE CC(=O)NCCNC(=O)CN(C)CCCN=[N+]=[N-] 1912173691 PNDPAYFPUNQXAB-UHFFFAOYSA-N 256.310 -0.129 10 10 CBCE COC(=O)[C@H](N)CC(=O)NCCc1ccc(O)c(O)c1 1913555261 ORTWDINXOCQSDO-SECBINFHSA-N 282.296 -0.353 10 10 CBCE NC(=O)CC[S@](=O)CC(=O)c1ccc(O)c(O)c1 2029177509 JUMJEDZZYICEIR-SFHVURJKSA-N 271.294 -0.095 10 10 CBCE O=C(NCCC(CO)CO)c1ccc(O)c(O)c1 2064517751 HZTFJQZMPYMCHU-UHFFFAOYSA-N 255.270 -0.182 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2080928054 WXHBZIPHJWNNMX-SRVKXCTJSA-N 273.716 -0.265 10 10 CBCE NC[C@H]1C[C@H](CNC(=O)c2cc(O)nc(O)c2)CO1 2102873792 VEDXJBXZVBQGBD-VXNVDRBHSA-N 267.285 -0.414 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)[C@H](O)C1 2132348740 RIZVDDXHIVIAJM-GMSGAONNSA-N 269.253 -0.629 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2136341839 LQGXDMUJSIPDGU-RDBSUJKOSA-N 266.341 -0.301 10 10 CBCE CO[C@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)NC[C@H]1OC 2140533387 CIGDJDXSMJZYND-ZWQNNFRKSA-N 270.329 -0.746 10 10 CBCE COC(=O)[C@]1(N)C[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2151214616 LTWGSFGVFQHUPK-HCJPZQEFSA-N 281.268 -0.745 10 10 CBCE N=c1nnc(OC[C@@H]2CNCCC23CCC3)n[nH]1 2219013159 PCLKXTDLXNOBOC-QMMMGPOBSA-N 250.306 -0.162 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1CCc1ccc(N)cc1 2225701611 LPRVTMMXYUDHRZ-HZSPNIEDSA-N 266.341 -0.136 10 10 CBCE CSc1ncc(CNC(=O)[C@H](N)CC(N)=O)s1 2248600225 JOPWGEIGRDYYCZ-ZCFIWIBFSA-N 274.371 -0.316 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCOCCO)cc1 52925019 NQVDDQFDUGUCOD-UHFFFAOYSA-N 274.342 -0.303 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@H](O)[C@@H](CO)C1 396791628 CXDPPYVZHMCPRM-PSASIEDQSA-N 267.281 -0.087 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1F 693397106 DQFBNIANESMSJX-AOOOYVTPSA-N 280.303 -0.693 10 10 CBCE O=S1(=O)C[C@@H](c2ccc(O)cc2O)NCCN1 1952452050 FOOXBVTULPXCLR-VIFPVBQESA-N 258.299 -0.339 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC(CO)C2)cc1 2031689599 TWYGXJIRLZNLHM-GFCCVEGCSA-N 252.314 -0.067 10 10 CBCE CO[C@H]1CCNC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2063976329 YBMGEXWVXQSRRW-GMOBBJLQSA-N 254.330 -0.124 10 10 CBCE CN1CC[C@H](Cn2ccc3c(c2=O)CNCC3)C1=O 2094404560 LBRXRGZOZFQNII-LLVKDONJSA-N 261.325 -0.028 10 10 CBCE CN[C@@H]1COC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2148003919 LNYYOEPVMOYLNF-WDEREUQCSA-N 280.324 -0.009 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CC(OCCO)C3)cc21 2152287624 IDVZBDSEMUENCT-ZDUSSCGKSA-N 278.308 -0.106 10 10 CBCE COC(=O)[C@H](CO)NC(=O)CCOc1ccc(N)cc1 2191661584 INAHLQLCHIYTTE-NSHDSACASA-N 282.296 -0.312 10 10 CBCE Cc1cc(N2CCNC(=O)[C@H]2C(N)=O)ccc1[C@@H](C)N 2285123335 DHHCNPRZZDCCCQ-BXKDBHETSA-N 276.340 -0.195 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](CO)C3)ccc21 316227649 BOKXWLCPCGXDBK-BPTDKIDVSA-N 263.297 -0.572 10 10 CBCE NC(=O)CS(=O)(=O)CCCC(=O)Nc1ccc(N)cc1 380024719 HVOFGONLQJOTFU-UHFFFAOYSA-N 299.352 -0.112 10 10 CBCE CN1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1CO 687608744 ZVVCPMIGIIPTMA-ZDUSSCGKSA-N 263.341 -0.054 10 10 CBCE COc1ccc(O)c(CNC(=O)CN2CCOCC2=O)c1 790713762 VFTGWRHGNFHHSV-UHFFFAOYSA-N 294.307 -0.124 10 10 CBCE NC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)O1 1294932521 LYBHKFNLRYRRBD-BXKDBHETSA-N 294.307 -0.211 10 10 CBCE O=C(c1cccc(O)c1O)N1CC2(C[C@@H](O)CNC2=O)C1 1455687896 PGIATGUVFMNSNU-MRVPVSSYSA-N 292.291 -0.579 10 10 CBCE O=C1N[C@H](C(=O)NCc2cc(O)ccc2O)CO1 1593881238 HQZVAQGPHRRCHV-QMMMGPOBSA-N 252.226 -0.178 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NOC2CNC2)cc1 1876404489 XLPDYOHNLCDNCA-UHFFFAOYSA-N 287.341 -0.530 10 10 CBCE NC(=O)[C@H]1CNCCN1C(=O)Cc1ccc(N)cc1 1876482212 IFJJKEOETKKQON-LLVKDONJSA-N 262.313 -0.903 10 10 CBCE CN(CCN=[N+]=[N-])CCS(=O)(=O)N1CCOCC1 1912146983 GEOGACKQLLQLAN-UHFFFAOYSA-N 277.350 -0.110 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)[C@H]1CCNC1=O 1916797840 CXCONXHEXYLWAC-QWRGUYRKSA-N 261.281 -0.003 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCOC2(CNC2)C1 1971238993 IZNBMGJMKOWYOF-UHFFFAOYSA-N 278.308 -0.159 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN1[C@@H]1CS(=O)(=O)C[C@@H]1O 2009446050 TVCFFOGZKQBGBL-HLTSFMKQSA-N 260.319 -0.081 10 10 CBCE [N-]=[N+]=NCC1(CNS(=O)(=O)N2CC[C@@H](O)C2)CC1 2054029018 IBSSLIACVYVVEY-MRVPVSSYSA-N 275.334 -0.022 10 10 CBCE Cc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c(O)c1 2084066368 ZSNXPFFRXIPQSR-IXOXFDKPSA-N 253.298 -0.355 10 10 CBCE O=C(N[C@@H]1CN[C@@]2(CCOC2)C1)c1cc(O)nc(O)c1 2155204273 XQJWUWQCTKWEAJ-ZANVPECISA-N 279.296 -0.256 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166791126 OWQYLRRVOHURNW-GGZOMVNGSA-N 275.308 -0.457 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CNCc3nccn3C2)C1 2168869856 LOQBOGSDKSZLDN-GMTAPVOTSA-N 276.340 -0.132 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1[C@@H]2COC[C@@H]12 2174684619 SUUMPRRPJBQOTL-BBBLOLIVSA-N 278.308 -0.271 10 10 CBCE Cn1c(O)nnc1CNC(=O)c1cc(O)c(O)c(O)c1 2188873860 AUJUPXKLZYHOMB-UHFFFAOYSA-N 280.240 -0.433 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)cc1CN 2235963748 PBADJGXQLZIVAY-HZSPNIEDSA-N 282.340 -0.289 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)C(N)(CO)CO 2344088698 HOKCNCPSMPERIL-SECBINFHSA-N 268.313 -0.406 10 10 CBCE NC(=O)[C@@H]1COCCN1CCOc1ccc(N)cc1 129343577 CEOLOJAJWFAISX-LBPRGKRZSA-N 265.313 -0.166 10 10 CBCE COCCC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169839053 PFLMYRZQCCPISF-UHFFFAOYSA-N 298.295 -0.314 10 10 CBCE Cc1cccc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1O 693454722 PKAWTQORNRCPOG-GHMZBOCLSA-N 277.324 -0.281 10 10 CBCE C[C@@H](NC(C(N)=O)C(N)=O)c1ccc(O)cc1O 695341334 PROQFAPCTOAGLI-RXMQYKEDSA-N 253.258 -0.912 10 10 CBCE O=C(N[C@@H]1COCCC1=O)c1cc(O)nc(O)c1 717187723 RYXQKSVPIYBERF-SSDOTTSWSA-N 252.226 -0.419 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1CCC(N=[N+]=[N-])CC1 1912145307 FUAARLOMYMJFSX-UHFFFAOYSA-N 290.349 -0.316 10 10 CBCE OCC(O)(CO)CNCc1ccc(Cl)cc1O 1913789903 OTSIJIRIBMMNLN-UHFFFAOYSA-N 261.705 -0.149 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H](C1)N2 2068614586 GYJWVGMHYBEIEB-OCAPTIKFSA-N 250.254 -0.010 10 10 CBCE CS[C@@H]1CNC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2084772356 MJHVSWBYLAXHQD-JGVFFNPUSA-N 269.326 -0.074 10 10 CBCE COc1ccc(O)c(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1 2108832123 OHXIBHPSHMAUQZ-GWNIPJSYSA-N 269.297 -0.655 10 10 CBCE CN(CCOc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 2114727618 QXRJLKMXKJNFOB-LLVKDONJSA-N 263.297 -0.006 10 10 CBCE Nc1ccc(OCCC(=O)NC2(CO)COC2)cc1 2132731752 MTVSTOHTEXWZPJ-UHFFFAOYSA-N 266.297 -0.085 10 10 CBCE CNOCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2145968137 BRHRMMBQNCSEGR-QMMMGPOBSA-N 284.268 -0.639 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O)c1cc(O)nc(O)c1 2166413335 HJMIFTMLQIBIOZ-KKBHTGQLSA-N 280.280 -0.647 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCNCCNCC1 2227914003 PCHCIOBATWLSSK-UHFFFAOYSA-N 266.301 -0.872 10 10 CBCE O=c1c2c(ccn1CCN1CCCS1(=O)=O)CCNC2 2236665164 XWMCPKQMRTYOLW-UHFFFAOYSA-N 297.380 -0.471 10 10 CBCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1[C@H](C)O 2269680723 DIIPMOKHSPNKIT-VIFPVBQESA-N 265.313 -0.175 10 10 CBCE CO[C@@H]1[C@H](O)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2271156569 SIJUBQHAUUXCKA-DYLAAIIWSA-N 267.281 -0.095 10 10 CBCE NCc1ccc(N2CC3(CNC(=O)CO3)C2)c(F)c1 2274015224 ATGHYDCEIHWKNL-UHFFFAOYSA-N 265.288 -0.010 10 10 CBCE CSc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)ccc1CN 2353852060 QTLUNGSRYDTYPN-GVXVVHGQSA-N 284.381 -0.230 10 10 CBCE COCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 48631570 AEWAXQHCGRUBSS-MRVPVSSYSA-N 269.253 -0.144 10 10 CBCE C[C@H]1O[C@H](Oc2ccc(N)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 106381110 CITVZWPAGDTXQI-OVBJLEGISA-N 255.270 -0.525 10 10 CBCE CCC1(O)CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 227294850 OWWFRNLFCLEQIP-JTQLQIEISA-N 280.324 -0.049 10 10 CBCE CN(Cc1ccccc1O)C(=O)CN1CC(=O)NC1=O 264771214 VFRSKVYDHKUNHI-UHFFFAOYSA-N 277.280 -0.098 10 10 CBCE CN1C(=O)CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1557117263 QCDLMSFMJMSCNQ-SECBINFHSA-N 292.291 -0.096 10 10 CBCE O=C(NCc1c(O)cccc1O)[C@@]1(O)CCOC1 1639292764 PVHJBCRZJBEKAL-GFCCVEGCSA-N 253.254 -0.135 10 10 CBCE COC(=O)[C@@]1(O)CCN(C(=O)c2c(F)ccc(O)c2O)C1 1648994442 OVOPSGLYFXULPZ-CYBMUJFWSA-N 299.254 -0.013 10 10 CBCE CC1(C(N)=O)CN(C[C@@H](O)COc2ccc(N)cc2)C1 1914215718 NPDPKKBFVAPSMN-LLVKDONJSA-N 279.340 -0.184 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C[C@H](O)C[C@H]2O)cc1 2046487488 CVHFNANCZRYDNO-QJPTWQEYSA-N 250.298 -0.188 10 10 CBCE Oc1ccc(Cl)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046514548 OHUSUMZCQUPVSH-SASUGWTJSA-N 273.716 -0.010 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)ccc1CN 2081034141 GADQZWYVFGWBQN-AGIUHOORSA-N 252.314 -0.644 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CC(=O)NC2=O)cc1 2096079167 VSXFPOBURCKUCX-SECBINFHSA-N 263.253 -0.821 10 10 CBCE NCC1(CNC(=O)Cc2ccc(O)c(O)c2)COC1 2120317090 GWIGMPKDAXQMMZ-UHFFFAOYSA-N 266.297 -0.268 10 10 CBCE O=C(N[C@@H]1CO[C@H]2CNC[C@H]12)c1ccc(O)c(O)c1 2121654022 OWJPGKVIDSUKQM-LNLATYFQSA-N 264.281 -0.186 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1F 2136344099 RQBSXUFDILGYOO-PTRXPTGYSA-N 274.267 -0.674 10 10 CBCE CN1CCc2cc(CN[C@@H]3C[C@H](O)[C@H](O)[C@@H]3O)ccc21 2165103468 BJRBAAQPSNBFIK-BEAPCOKYSA-N 278.352 -0.377 10 10 CBCE NCC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188915629 JSFJMBXJHLAYIN-SECBINFHSA-N 282.296 -0.007 10 10 CBCE C[C@H](c1cc(O)ccc1O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)O 2200861820 MXNKNJVZRQQYAP-DUKRFPAISA-N 283.280 -0.351 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2219635819 RNIVUJYVOXUJDY-STQMWFEESA-N 253.298 -0.010 10 10 CBCE NC1CN(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 2227908129 VPJKEYHABBBJJM-UHFFFAOYSA-N 288.285 -0.400 10 10 CBCE O=S1(=O)CC(O)(CNCc2ccc(F)c(F)c2O)C1 2267898869 ZMSFIEGQYLDFRX-UHFFFAOYSA-N 293.291 -0.081 10 10 CBCE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccc(O)c(F)c1 2270522259 SRTGMTFRJCIIRG-QMMMGPOBSA-N 292.288 -0.227 10 10 CBCE [N-]=[N+]=N[C@H]1C[C@H](n2cnc3c(N)nc(N)nc32)O[C@@H]1CO 3923029 BFTAFRDMRHNFKO-KVQBGUIXSA-N 291.275 -0.051 10 10 CBCE O=C(O)CN(CC(=O)O)Cc1c(O)ccc(O)c1O 37630384 HTHTZDOPDPNXPG-UHFFFAOYSA-N 271.225 -0.225 10 10 CBCE COCCNC(=O)CN(C)C(=O)COc1ccc(N)cc1 40329176 BMYWNMDDLWJZBG-UHFFFAOYSA-N 295.339 -0.131 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1=O 84204773 XQFMNMOLYDHVLW-LBPRGKRZSA-N 260.297 -0.083 10 10 CBCE NC[C@H]1CN(c2ccc3c(c2)OCCO3)CC(=O)N1 216976303 LAYVWXCRUVCQDZ-VIFPVBQESA-N 263.297 -0.279 10 10 CBCE O=S1(=O)C[C@@H](NCc2ccccc2O)[C@@H](O)C1 228414573 FXNVCSXPBFIGCZ-KOLCDFICSA-N 257.311 -0.360 10 10 CBCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 312702981 RULUVDXFNZTHFT-ZWNOBZJWSA-N 276.296 -0.935 10 10 CBCE CNC(=O)C[S@@](=O)CC(=O)Nc1ccc(N)cc1 384967120 JYHGNHOUZCXXQH-GOSISDBHSA-N 269.326 -0.298 10 10 CBCE Nc1cc2c(cc1N1CCOC[C@H](O)C1)NC(=O)CO2 399895528 ISDAXPRVNKANLS-MRVPVSSYSA-N 279.296 -0.203 10 10 CBCE CN1C(=O)CN(NC(=O)c2c(F)ccc(O)c2O)C1=O 1641390984 VWPWGFUQDOZKHW-UHFFFAOYSA-N 283.215 -0.224 10 10 CBCE COC(=O)[C@@H](N)CCNC(=O)Cc1ccc(N)cc1 1876519044 IXPQWGROIMSRMW-NSHDSACASA-N 265.313 -0.182 10 10 CBCE O=C1[C@H]2CS(=O)(=O)C[C@@H]2C(=O)N1Cc1ccccc1O 1924753789 WZJHXNXZBJSAJM-UWVGGRQHSA-N 295.316 -0.078 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1COCCN1 1968739527 RUCAIZBFGIHWFM-JTQLQIEISA-N 266.297 -0.255 10 10 CBCE CNC(=O)C[S@@](=O)CC(=O)c1ccc(O)c(O)c1 2029188409 MIBGIXRGLVJDKL-SFHVURJKSA-N 271.294 -0.225 10 10 CBCE COc1cc(C(=O)NC(CN)CN)cc(OC)n1 2048071016 SJVDIFZLCWXKDX-UHFFFAOYSA-N 254.290 -0.885 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H]3CCNC3=O)c2n1 2064338275 CMTDJDVXUSKNKS-SECBINFHSA-N 289.295 -0.296 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2081037578 ZMMDXDJTTIVVDR-KMLBCRHOSA-N 252.314 -0.391 10 10 CBCE Oc1cc(F)ccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2084168308 LDAGIQMYUBIIEX-QTKMDUPCSA-N 257.261 -0.524 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CCOC[C@H]2CNC3)C1 2112574671 WZVBLTZRZDPETC-BIAAXOCRSA-N 266.341 -0.122 10 10 CBCE NC(=O)[C@@H]1C[C@@H](N)CN(C(=O)Cc2ccc(N)cc2)C1 2191721644 XRRGQZPUEUIBTB-ZYHUDNBSSA-N 276.340 -0.528 10 10 CBCE CN(Cc1ccccc1O)S(=O)(=O)C[C@@H](N)C(=O)O 2270511782 NHHYJNVXTOAONF-SECBINFHSA-N 288.325 -0.434 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H]2[C@H](O)CO)cc1 2270702645 CLZDJGUVMUGVID-NWDGAFQWSA-N 266.297 -0.398 10 10 CBCE Nc1ccc(CCN2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2273711163 VNAQVPMGVJMTLC-UBHSHLNASA-N 266.341 -0.543 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@@H]1C[C@@H](O)[C@H]2O 2357024389 FVQKKADVEZXAOT-SREGZZRCSA-N 280.280 -0.409 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCC(=O)NC2=O)cc1 89751170 FHDBNGHXPFQABI-JTQLQIEISA-N 277.280 -0.431 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NC2CCCCC2)C1=O 169995586 QSWCDNTYTJACOM-VIFPVBQESA-N 253.302 -0.055 10 10 CBCE O=C(NC[C@@]1(O)CCOC1)c1cc(O)nc(O)c1 227188199 LWZDHKKLGYHGIA-NSHDSACASA-N 254.242 -0.626 10 10 CBCE O=C1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CN1 270543465 LGUDBIBLYVFGHQ-SECBINFHSA-N 264.281 -0.107 10 10 CBCE COC[C@](C)(NC(=O)c1cc(O)nc(O)c1)C(=O)O 380943392 BUNQKNRMATWBDL-NSHDSACASA-N 270.241 -0.288 10 10 CBCE COc1ccc(CN2CCOC[C@@]2(CN)CO)c(O)c1 693978896 UUSIBLNGBQGTBS-CQSZACIVSA-N 282.340 -0.077 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H](O)C[C@@H]3CO)cc21 698137846 MIBVSIUILVAFMY-GIPNMCIBSA-N 278.308 -0.372 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 723198962 NGHYYAQCHQKTGY-UWJYBYFXSA-N 276.340 -0.271 10 10 CBCE O=C(CCN1C(=O)CSC1=S)N1CC[C@@H](O)C1 1865765887 OVQKLAIZCAPDPU-SSDOTTSWSA-N 274.367 -0.170 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(C)(C(N)=O)C3)cc21 1914215335 IRVQHJVENRBNCI-NSHDSACASA-N 274.324 -0.026 10 10 CBCE O=C(CN1CC(CO)(CO)C1)c1ccc(O)c(O)c1 1914969085 YWNLCQBFGZMFHN-UHFFFAOYSA-N 267.281 -0.433 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CO 2081037373 XVAORMANIRKAFL-RWMBFGLXSA-N 252.314 -0.644 10 10 CBCE COC[C@@H](N)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132410105 KKECEOOVJVRCJT-QMMMGPOBSA-N 270.285 -0.151 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCO1 2132940980 WRPBIEQYLJJVLU-ZJUUUORDSA-N 266.297 -0.127 10 10 CBCE CN(CC(CO)CO)c1cc2c(cc1N)OCC(=O)N2 2150420063 VIAGXLMWMKGQRG-UHFFFAOYSA-N 281.312 -0.363 10 10 CBCE O=C1N[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]2O1 2188920477 VUQSJBWDJZYDGY-MUWHJKNJSA-N 280.236 -0.264 10 10 CBCE O=C(N[C@]1(C(=O)O)C[C@H](CO)C1)c1cc(O)nc(O)c1 2193915564 DAQFIWVUNSBJGO-ZFUMSHNSSA-N 282.252 -0.552 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(N)c1 2225721595 LLSGATXGGFOCJK-CHWSQXEVSA-N 268.313 -0.428 10 10 CBCE COc1ccc(N2CCNC[C@H]2CC(N)=O)c(N)c1 2343271681 POVUZUUVHPFBJX-SECBINFHSA-N 264.329 -0.069 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC(=O)O 3604415 URBGGMJZVAVPOH-ZETCQYMHSA-N 254.242 -0.832 10 10 CBCE CCOc1cccc([C@@H](N)C(=O)NCCO)c1O 83398383 NFRUBNFZIKADFH-SNVBAGLBSA-N 254.286 -0.101 10 10 CBCE C[C@H](O)[C@@H](N)C(=O)NCc1ccc(O)c(O)c1O 83414065 RSEFIWOLDPMZDR-YLWLKBPMSA-N 256.258 -0.872 10 10 CBCE CNC(=O)[C@H]1CNCCN1C(=O)c1ccc(O)c(O)c1 234368169 VZAFOHCSLYBJSX-SECBINFHSA-N 279.296 -0.742 10 10 CBCE O=C(N[C@H]1COCC[C@H]1O)c1ccc(O)c(O)c1 710866034 LJTIQTWETQFTOZ-DTWKUNHWSA-N 253.254 -0.023 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H](C(N)=O)C3)cc21 723177443 TUJHNTYYUQEEOD-PRHODGIISA-N 274.324 -0.026 10 10 CBCE CC(=O)N1CCO[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 934943165 GCEODGYZKHLTAW-CYBMUJFWSA-N 294.307 -0.039 10 10 CBCE Nc1ccc(OCC(=O)N2CCNC[C@H](O)C2)cc1 1876484739 UTUIKLXNNGWSTE-NSHDSACASA-N 265.313 -0.560 10 10 CBCE Nc1ccc(OCC(=O)N[C@@]2(CO)CCNC2)cc1 1876671660 ZXNDEDPYORFMPS-ZDUSSCGKSA-N 265.313 -0.512 10 10 CBCE C[C@H](O)C1(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 1913496905 BBJQEDWVTGYYIX-WPRPVWTQSA-N 280.324 -0.003 10 10 CBCE COc1cccc(O)c1CN[C@@H]1CN(C)NC1=O 2042579558 PHKYAKZUKVFWGU-SECBINFHSA-N 251.286 -0.164 10 10 CBCE COC[C@@H](NC(=O)CCc1ccc(N)cc1)C(N)=O 2096063157 QQHKVTVGDVTURC-LLVKDONJSA-N 265.313 -0.182 10 10 CBCE O=C1NC(=O)[C@H](C2CN(c3ccc(CO)cc3F)C2)N1 2184963087 TWSXTFCTIRNXHA-NSHDSACASA-N 279.271 -0.038 10 10 CBCE CN(C[C@]1(O)CCNC1)C(=O)c1cc(O)c(O)c(O)c1 2188921849 DJPOIGLXPRNGIK-ZDUSSCGKSA-N 282.296 -0.400 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1cccc(O)c1O 2233864006 XBOBNOPUZBYIIZ-QRTLGDNMSA-N 283.280 -0.710 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1OC 2235126141 DFWXGKKZSFMJRQ-ZIAGYGMSSA-N 283.324 -0.002 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@@H]1NC(=O)c1cccc(O)c1O 2258674235 CECSCPBEKCIRAT-ARENWVFISA-N 253.254 -0.024 10 10 CBCE NC(=O)[C@H](O)CNCc1cc2c(cc1O)OCO2 228609663 JIFTYRLNVQFVLV-MRVPVSSYSA-N 254.242 -0.943 10 10 CBCE COC[C@@]1(CNC(=O)c2cc(O)nc(O)c2)CCCN1 312669076 XHGLJXBTCJIGNG-ZDUSSCGKSA-N 281.312 -0.009 10 10 CBCE O=[N+]([O-])c1ccc(N2C[C@@H](CO)[C@@H](O)C2)cc1CO 317432293 LPSCBYQLZDJANZ-CABZTGNLSA-N 268.269 -0.124 10 10 CBCE C[C@H](O)CN(CCO)c1cc2c(cc1N)OCC(=O)N2 380700764 GRMDYBMWYMVLQG-QMMMGPOBSA-N 281.312 -0.221 10 10 CBCE C[C@H](NC(N)=O)C(=O)NCCc1ccc(N)cc1 704356807 IQAWEIJZWSMGLV-QMMMGPOBSA-N 250.302 -0.016 10 10 CBCE O=C1NN(c2nn[nH]n2)C(=O)/C1=C/c1ccccc1 1081084024 VDVCBIIEVBIPCL-SOFGYWHQSA-N 256.225 -0.339 10 10 CBCE O=S1(=O)C[C@H](c2ccc(O)cc2O)NCCN1 1952452049 FOOXBVTULPXCLR-SECBINFHSA-N 258.299 -0.339 10 10 CBCE COc1ccc(O)c(CN2CC(=O)NC[C@@H]2C(=O)O)c1 1963437533 MBOCHSWBLVIWOW-SNVBAGLBSA-N 280.280 -0.214 10 10 CBCE CCN[C@H]1COC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049785196 XENNVOOELYIWPN-DBIOUOCHSA-N 254.330 -0.124 10 10 CBCE NCCN(CCN)C(=O)COc1ccc(N)cc1 2071706729 NTVJZUHDFYKXBO-UHFFFAOYSA-N 252.318 -0.606 10 10 CBCE NC[C@H]1C[C@H](NC(=O)c2cc(O)nc(O)c2)CCO1 2097947298 WZJFMBDKAGVYJF-RKDXNWHRSA-N 267.285 -0.271 10 10 CBCE CCc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1O 2108829675 POKPKTFLDNHRTO-UVLXDEKHSA-N 267.325 -0.101 10 10 CBCE CN1CCc2cc([C@@H](O)[C@@H](N)c3nnnn3C)ccc21 2148168077 HFKGBHFABQILMF-VXGBXAGGSA-N 274.328 -0.064 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@H]1[C@@H](O)CO 2188874418 HGEFCSUMSGVEJF-KWQFWETISA-N 283.280 -0.239 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NO[C@H]1CCOC1 2193227885 PFTWNRQDKVSTJB-UWVGGRQHSA-N 282.296 -0.196 10 10 CBCE O=C(N[C@@H]1CO[C@]2(CCNC2)C1)c1cc(O)nc(O)c1 2201748199 XNCLJHKFMYZKSO-TVQRCGJNSA-N 279.296 -0.256 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(OC)c1 2235128864 HVEXZBRMYCTNKG-UONOGXRCSA-N 283.324 -0.002 10 10 CBCE Cn1c(O)cn(S(=O)(=O)Cc2ccc(N)cc2)c1=O 2265853748 JNZZTZRRSYUFMB-UHFFFAOYSA-N 283.309 -0.147 10 10 CBCE COc1ccc(CNCC2(O)CS(=O)(=O)C2)c(O)c1 2267893904 KJBSKUVECBRDTP-UHFFFAOYSA-N 287.337 -0.350 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC(O)(CCO)C2)cc1 2270653545 BIJSXGSNPZWBOI-UHFFFAOYSA-N 286.353 -0.472 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1CCOC1=O 35366641 TZJOLYFXEAGZJA-NSHDSACASA-N 263.297 -0.128 10 10 CBCE COc1cccc([C@@H](N)C(=O)NC[C@H](C)O)c1O 83398271 KEAYXGPOWWSWDG-OIBJUYFYSA-N 254.286 -0.102 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1cc(F)ccc1O 83413920 CKVKPRJGGNUIPH-JTQLQIEISA-N 256.233 -0.180 10 10 CBCE COC(=O)NS(=O)(=O)Nc1ccc(O)cc1N 234536302 AQOFBGCGXMTQDU-UHFFFAOYSA-N 261.259 -0.013 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC(N2CCNCC2)C1 236582712 NWUPICUNBQSEQY-UHFFFAOYSA-N 277.324 -0.173 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C(CO)CO 311868472 LGQTUMUHBFVQJP-VIFPVBQESA-N 267.329 -0.119 10 10 CBCE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1c(N)cccc1C(N)=O 697001011 LREMCKSCINXBFN-ZJUUUORDSA-N 299.352 -0.408 10 10 CBCE NC(=O)[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 1297722945 ATIRYZOSICWLAB-LURJTMIESA-N 296.304 -0.112 10 10 CBCE CN(C)S(=O)(=O)CC(=O)NCc1ccc(O)cc1O 1639444444 LVTCXGIDERRNSZ-UHFFFAOYSA-N 288.325 -0.395 10 10 CBCE Nc1ccc(OCCC(=O)NN2CCNCC2)cc1 1876525610 OFQFPTQPBIIMTG-UHFFFAOYSA-N 264.329 -0.026 10 10 CBCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1CCNC1=O 1916779968 LJWKUOFEDWTSKI-VIFPVBQESA-N 276.296 -0.076 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CNCCO1 1969470875 OSZVWVGGXUYRIG-JTQLQIEISA-N 266.297 -0.255 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCOC[C@@H]1O 2046421379 HNMAUSNTGUVAJZ-ZJUUUORDSA-N 251.286 -0.071 10 10 CBCE O=c1c2c(ccn1C[C@@]1(O)CCOC1)CCNC2 2050437833 FEYQMPOJUXAEQX-ZDUSSCGKSA-N 250.298 -0.355 10 10 CBCE C[C@H](O)[C@@H](CO)NC(=O)COc1ccc(N)cc1 2053797575 KQNBCRRNVCJHKE-GZMMTYOYSA-N 254.286 -0.495 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1N 2058640686 WHCJLCRMWFPQGV-JGVFFNPUSA-N 253.258 -0.709 10 10 CBCE CN(C[C@@H](O)CN)S(=O)(=O)Cc1ccc(N)cc1 2071558510 NWHKDVHEQJJSKZ-NSHDSACASA-N 273.358 -0.650 10 10 CBCE O=C(NC[C@]1(O)CCCNC1)c1ccc(O)c(O)c1 2101321789 LMAMMAHLVBXYOZ-ZDUSSCGKSA-N 266.297 -0.058 10 10 CBCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](C)O 2144030152 ZBWXPEWSDPXCBG-JMCQJSRRSA-N 283.280 -0.321 10 10 CBCE COc1cc2c(cc1OC)N1CC(=O)NC[C@H]1C(=O)N2 2155074675 RFPWHGPHJWTKOZ-VIFPVBQESA-N 277.280 -0.039 10 10 CBCE C[C@@H]1CNC(=O)CN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 2181160416 CFCWCKZZUZLRMD-AMIZOPFISA-N 274.324 -0.013 10 10 CBCE NC[C@@]1(O)CCCN(C(=O)COc2ccc(N)cc2)C1 2191669897 IVQHXMBACLJDSD-AWEZNQCLSA-N 279.340 -0.040 10 10 CBCE C[C@@](O)(CO)[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2202854951 XPIVWFAZMDKOON-NOZJJQNGSA-N 282.296 -0.302 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)OCCO2 2226782405 YIKSVVKDUBGEPX-GIPNMCIBSA-N 267.281 -0.640 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Cl)c1 2273651510 PHSQKWUJGBPVHF-XDTLVQLUSA-N 286.759 -0.051 10 10 CBCE CS(=O)(=O)NCCCNC(=O)c1ccc(O)c(O)c1 227016457 HIWNJSAZMOXNPX-UHFFFAOYSA-N 288.325 -0.233 10 10 CBCE CCO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CN 405367896 HNJXSXLUJVFEGS-NXEZZACHSA-N 281.312 -0.071 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1629381596 ZNUOATKIHRRVGC-BDAKNGLRSA-N 280.280 -0.913 10 10 CBCE Nc1cc2c(cc1N1CC(CO)(CO)C1)NC(=O)CO2 1914999095 BCZFPCOAYUTGPB-UHFFFAOYSA-N 279.296 -0.609 10 10 CBCE NCCNS(=O)(=O)CCOc1ccc(N)cc1 2016999874 ODNRXHBJVMZMTG-UHFFFAOYSA-N 259.331 -0.474 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2COC[C@@H]2CO)cc1 2029844311 MBZJLBORBCDXMJ-JQWIXIFHSA-N 250.298 -0.065 10 10 CBCE O=C(O)[C@H]1[C@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@H]21 2087844174 PFFIPMIHKPTQLQ-LYIWLLOFSA-N 264.237 -0.105 10 10 CBCE N[C@H]1C[C@@H](O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132412253 BJFKBDIIPPARMB-JGVFFNPUSA-N 268.269 -0.663 10 10 CBCE NCCOC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132419247 RDVWJEOKSVVRGZ-UHFFFAOYSA-N 268.269 -0.397 10 10 CBCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1ccc(O)cc1O 2143719807 MYCJOZKRTIGQPO-NWDGAFQWSA-N 298.364 -0.331 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1CCOCC1=O 2144962765 XDXDPZZKRBNPSJ-VIFPVBQESA-N 281.264 -0.048 10 10 CBCE O=C(NCCn1cnnn1)[C@@H]1CNc2ccccc2N1 2146586286 NSOGCVOWXAOCSX-NSHDSACASA-N 273.300 -0.305 10 10 CBCE O=C(O)C1=C[C@H](O)[C@@H](NC(=O)c2cccc(O)c2O)C1 2188066555 QMQPFPRKYLJDQU-WPRPVWTQSA-N 279.248 -0.028 10 10 CBCE C[C@@H]1CO[C@@H](CN)CN1C(=O)c1cc(O)c(O)c(O)c1 2188923268 LPOQARXUVFBMBD-APPZFPTMSA-N 282.296 -0.008 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OCF)cc1 2263851714 WAONGOLBQOFZBP-IJLUTSLNSA-N 257.261 -0.105 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1[C@H](C)N 2269661264 DSYTVCNMNLXCNF-GSVCSZOMSA-N 266.341 -0.083 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2332916814 UXYGLOCUHWZVEZ-YAUNCSCZSA-N 271.288 -0.218 10 10 CBCE Nc1ccc(CC(=O)NCC(=O)NCC(=O)O)cc1 40482529 KGOWHRYQZKWRML-UHFFFAOYSA-N 265.269 -0.872 10 10 CBCE CN[C@H](CN1CCN(c2ccc(OC)cc2)CC1)C(N)=O 59531351 VPMNPRAEAZXVRD-CQSZACIVSA-N 292.383 -0.110 10 10 CBCE C[C@H](O)[C@@H](NC(=O)Cc1ccc(N)cc1)C(N)=O 108261210 FMTUIYMJHZNQGU-WRWORJQWSA-N 251.286 -0.838 10 10 CBCE COc1cc(N)c(N2CCOC[C@@H]2C(N)=O)cc1OC 158790155 PTHRXFKKOKNCBK-SNVBAGLBSA-N 281.312 -0.024 10 10 CBCE O=C(N[C@H]1COCC[C@@H]1O)c1ccc(O)c(O)c1 710866036 LJTIQTWETQFTOZ-IUCAKERBSA-N 253.254 -0.023 10 10 CBCE O=C(N[C@H]1COCC[C@H]1O)c1cc(O)nc(O)c1 710867748 TXZVYSFIJLADBT-JGVFFNPUSA-N 254.242 -0.628 10 10 CBCE O=C1NC[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)O1 1148590137 CCPSIZAVWMPFDU-ZCFIWIBFSA-N 268.225 -0.358 10 10 CBCE COC[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1606694437 XJRSXIBJTHEOQL-VIFPVBQESA-N 255.270 -0.236 10 10 CBCE NC[C@H]1COC[C@@H]1NC(=O)COc1ccc(N)cc1 1876450454 BNGLEWNJWRCOJE-CABZTGNLSA-N 265.313 -0.263 10 10 CBCE C[C@@]1(CO)CNCCN1C(=O)Cc1ccc(N)cc1 1876481713 AICPEDJEXRYLQS-AWEZNQCLSA-N 263.341 -0.006 10 10 CBCE CCS(=O)(=O)C[C@](C)(NCCN=[N+]=[N-])C(N)=O 2003970082 HGEYKKDCRSZGPJ-QMMMGPOBSA-N 263.323 -0.435 10 10 CBCE O=C(NC[C@@H]1COC[C@@H]1O)c1cc(O)nc(O)c1 2036581021 XMDLOZQUOGKHDL-SFYZADRCSA-N 254.242 -0.770 10 10 CBCE CN(c1ccc(CN)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 2038055564 AMHJSIGIRKRJJB-NEPJUHHUSA-N 270.354 -0.261 10 10 CBCE Nc1ccc(O)c(CN2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c1 2042550114 CKJUBMVWXYLHPY-LGOOBZPGSA-N 250.298 -0.100 10 10 CBCE NC(=O)NCCCNC(=O)Cc1ccc(N)cc1 2048884859 IAXNUIALMVIBIJ-UHFFFAOYSA-N 250.302 -0.014 10 10 CBCE C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H](O)C(=O)O 2056747210 WDLFPOKNGVAZIP-HQJQHLMTSA-N 252.270 -0.239 10 10 CBCE NC[C@@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 2067382317 CGWNKYRMJSAJOH-IUCAKERBSA-N 252.270 -0.368 10 10 CBCE O=C(NCC[C@@H](O)CO)c1cc(O)c(O)c(O)c1 2068566462 JZXZLRCYXCIEAC-SSDOTTSWSA-N 257.242 -0.724 10 10 CBCE O=C(N[C@@]1(CO)CCNC1)c1ccc(O)c(O)c1 2069741166 SFTJZSUGEDCGNN-LBPRGKRZSA-N 252.270 -0.448 10 10 CBCE CO[C@H](C)[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2087687972 CIOZNCAOYAWXMY-ANLVUFKYSA-N 270.241 -0.289 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@H]1NCc1ccc(O)cc1O 2142489831 GSKVEZRTWHFXTL-PWSUYJOCSA-N 287.337 -0.001 10 10 CBCE Cn1ncc(S(=O)(=O)NCCOc2ccc(N)cc2)n1 2144427700 YSSWDUWNQYFVFU-UHFFFAOYSA-N 297.340 -0.245 10 10 CBCE NCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(F)c1F 2146327949 BLYUVUZNGNTCNP-QWRGUYRKSA-N 288.294 -0.018 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCO[C@@H]3CNC[C@@H]32)cc1 2191785026 UZMJJDIKXRWNQZ-QWHCGFSZSA-N 297.380 -0.229 10 10 CBCE Nc1ccc(NC(=O)NC[C@@H]2NC[C@H](O)[C@H]2O)cc1 2225621861 GJZNABVPALUGMO-DCAQKATOSA-N 266.301 -0.916 10 10 CBCE O=C(NC1CC(O)(CO)C1)c1ccc(O)c(O)c1 2256983595 HEFIZRIBVTYOBY-UHFFFAOYSA-N 253.254 -0.287 10 10 CBCE NCC[C@@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2341155333 BTPKWVNRIIVILR-SNVBAGLBSA-N 266.297 -0.308 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2354375693 PWCMEHJFIFRKOD-FRRDWIJNSA-N 298.364 -0.210 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CO[C@@H]3CNC[C@@H]32)cc1 2357173639 MNSIZDHDLVCULT-FRRDWIJNSA-N 297.380 -0.325 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)[C@@H](O)C3)ccc21 316227656 BOKXWLCPCGXDBK-QILRFPOHSA-N 263.297 -0.572 10 10 CBCE C[S@@](=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 385499101 FAJOEOQJJSUQTE-IWEMQMMOSA-N 259.283 -0.023 10 10 CBCE C[C@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2O 698203868 HAJYJLNMAYUQPU-LJWDBELGSA-N 278.308 -0.006 10 10 CBCE NCCN(CCO)C(=O)Cc1ccc(O)c(O)c1 2034679373 RRGRUFFFLAFNIA-UHFFFAOYSA-N 254.286 -0.580 10 10 CBCE [N-]=[N+]=NCCCNS(=O)(=O)N1CCS(=O)(=O)CC1 2045260963 PLQXAZFNRJXKQX-UHFFFAOYSA-N 297.362 -0.748 10 10 CBCE C[C@@H](O)[C@H](CO)NC(=O)CCOc1ccc(N)cc1 2117477010 AGLQGXSZQVCCDG-SKDRFNHKSA-N 268.313 -0.104 10 10 CBCE C[C@H]1CNC(=O)CN1c1ccc2c(c1)NC(=O)[C@@H]2O 2124757794 AOLFCMQZZXKAIM-JVXZTZIISA-N 261.281 -0.003 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CC[C@H]2O 2128324409 DQNNSOFNUNPGLZ-LLVKDONJSA-N 263.297 -0.557 10 10 CBCE O=[N+]([O-])c1cc2c(cc1N1CC(O)(CO)C1)OCCO2 2171950382 FLUREYWNFZQVLH-UHFFFAOYSA-N 282.252 -0.091 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@@H](CCO)C1 2188914921 DPJLWBWNYJOTBP-VIFPVBQESA-N 282.296 -0.400 10 10 CBCE Nc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 20434684 ZESNUJPHQWITND-UHFFFAOYSA-N 260.253 -0.243 10 10 CBCE CO[C@H](CNC(=O)c1ccc(O)c(O)c1)C(=O)O 227274316 IIAMXIIQHUVIGJ-SECBINFHSA-N 255.226 -0.073 10 10 CBCE O=C(NCC1(O)CCNCC1)c1cccc(O)c1O 397491640 KFYWBGCLLAMQJC-UHFFFAOYSA-N 266.297 -0.058 10 10 CBCE NC(=O)CC[S@](=O)CC(=O)Nc1ccc(N)cc1 399350875 YMVNFGFQNLJAIU-SFHVURJKSA-N 269.326 -0.169 10 10 CBCE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(O)c1O 697288594 ACJNSPKVAMXWGK-ONGXEEELSA-N 287.337 -0.001 10 10 CBCE CCOC[C@@H](O)Cn1ccc2c(c1=O)CNCC2 2038044102 JMHXNAZUNXQLIP-NSHDSACASA-N 252.314 -0.109 10 10 CBCE COC[C@](O)(CO)CNCc1cccc(O)c1O 2040783473 WBTQUXDXGSVYGK-GFCCVEGCSA-N 257.286 -0.443 10 10 CBCE [N-]=[N+]=NCCNC1(C(N)=O)C[C@@H]2CS(=O)(=O)C[C@H]2C1 2104837363 MEFZQYDDZKVLHN-HTQZYQBOSA-N 287.345 -0.435 10 10 CBCE N=c1[nH][nH]cc1CNC(=O)c1cc(O)c(O)c(O)c1 2132401591 AKIRORGPPCGIKR-UHFFFAOYSA-N 264.241 -0.131 10 10 CBCE COC[C@](C)(CN)NC(=O)c1cc(O)c(O)c(O)c1 2132417317 CLIHNSYRPYBYQS-LBPRGKRZSA-N 270.285 -0.103 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1O 2136340848 YFHIYZBRTYTAAR-SLTJONPZSA-N 268.313 -0.685 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1C 2136342377 NMEKBUUNEXUPNJ-MELADBBJSA-N 266.341 -0.383 10 10 CBCE O=C1C[C@H](C(=O)O)N(C(=O)Cc2ccc(O)c(O)c2)N1 2144382752 UVGQOCLOSCONTB-SSDOTTSWSA-N 280.236 -0.643 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@]2(CCOC2)C1 2154532493 SGUOCNZSOHWSKZ-TVQRCGJNSA-N 279.296 -0.175 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@@H]2COC[C@H]21 2158406966 CCJCBYRGDJJBRQ-BREBYQMCSA-N 279.292 -0.142 10 10 CBCE CN1CC[C@](O)(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188868177 NESLHUKCYVJEDX-ZDUSSCGKSA-N 282.296 -0.400 10 10 CBCE COC(=O)C1(N)CC(NC(=O)Cc2ccc(N)cc2)C1 2191666979 CGGRECULLYFZCZ-UHFFFAOYSA-N 277.324 -0.040 10 10 CBCE COC(=O)C1(NC(=O)COc2ccc(N)cc2)CNC1 2191670158 GYQVEPAROZKDHW-UHFFFAOYSA-N 279.296 -0.721 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CN)cc1 2218664306 QDPQUCFLELCNTD-AGIUHOORSA-N 252.314 -0.298 10 10 CBCE CO[C@@H]1[C@H](O)C[C@H]1NC(=O)c1ccc(O)c(O)c1 2258690485 ZZHWLFNKQXLBPX-ONOSFVFSSA-N 253.254 -0.024 10 10 CBCE N[C@@H]1C[C@]2(NC(=O)c3cc(O)nc(O)c3)CO[C@H]1C2 2334241907 RIGNITONFLRCEL-RGNHYFCHSA-N 265.269 -0.519 10 10 CBCE CN(C(=O)CN1C(=O)COCC1=O)c1ccc(N)cc1 41074512 NFHHCZAJMWLFJU-UHFFFAOYSA-N 277.280 -0.383 10 10 CBCE CN1CC[C@@H](N(CC(N)=O)Cc2ccc(N)cc2)C1=O 71184291 IDIICCHCKRWLJK-GFCCVEGCSA-N 276.340 -0.213 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCNC(=O)C3)cc21 155739344 BRGQZZNUYHHGSF-GFCCVEGCSA-N 260.297 -0.401 10 10 CBCE C[C@@H](O)CN(CCO)C(=O)c1cccc(O)c1O 310929539 IOZUQSJGHJVKPS-MRVPVSSYSA-N 255.270 -0.087 10 10 CBCE C[C@H]1[C@](NCCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 380957829 RYMSCNKGKKLNBU-CBAPKCEASA-N 275.334 -0.293 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N(C)C(CO)CO)ccc21 394421529 DGFFASPAMSKISR-GFCCVEGCSA-N 265.313 -0.311 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c(Cl)c1 693398834 KZXKLILLSFCINB-DTORHVGOSA-N 296.758 -0.178 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1COC[C@@H]1N 708132552 YWKRFVCHZDONHU-IUCAKERBSA-N 252.270 -0.104 10 10 CBCE NC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)CC1 721830201 QDLXFTSGJJNWNH-UHFFFAOYSA-N 277.328 -0.096 10 10 CBCE NC(=O)N1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC1 722196775 XHEKFKQIBBFWMB-LLVKDONJSA-N 275.312 -0.161 10 10 CBCE CN1CCO[C@H](C(=O)NCc2c(O)cccc2O)C1=O 1645363431 VBLDUOYMOQWSKY-LLVKDONJSA-N 280.280 -0.429 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@@H]1CO)OCCO2 1876219109 FAHAEYBDVBLAHE-SECBINFHSA-N 265.313 -0.190 10 10 CBCE Nc1ccc(OCCC(=O)NCC2(O)CNC2)cc1 1876515308 VJDPOKZRSKREHR-UHFFFAOYSA-N 265.313 -0.512 10 10 CBCE OCC(O)(CO)CNCc1cc(F)cc(F)c1O 1913789848 OBDRESIMYSTUCS-UHFFFAOYSA-N 263.240 -0.524 10 10 CBCE COc1cccc(O)c1CNCCNS(N)(=O)=O 2042579357 NBBZRJOTLMFITL-UHFFFAOYSA-N 275.330 -0.717 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)C[C@H](O)C1 2043180998 BUJKENSYILNBLL-YUMQZZPRSA-N 254.242 -0.940 10 10 CBCE NC(=O)C1(N)CN(Cc2cc(F)cc(F)c2O)C1 2047099780 ZDVBLSOQHIVHJC-UHFFFAOYSA-N 257.240 -0.331 10 10 CBCE C[C@@H](O)CNCCNC(=O)Cc1ccc(N)cc1 2071721334 PRVJLWGASAJXNA-SNVBAGLBSA-N 251.330 -0.102 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1C(=O)Cc1ccc(O)c(O)c1 2144018145 GOTORCZAPMVJMZ-ZETCQYMHSA-N 278.264 -0.486 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@]1(C(=O)O)CCNC1 2144022453 CKQMLVDHAGZQBM-CYBMUJFWSA-N 280.280 -0.427 10 10 CBCE C[C@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CNCCO1 2188915277 GTZSHVCJEWJAIQ-CYBMUJFWSA-N 282.296 -0.088 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCC[C@@H]2O 2201007132 RHEFVQWVIVDVGH-CBBWQLFWSA-N 279.336 -0.041 10 10 CBCE CN1CCc2cc(N3CC[C@](O)(CO)[C@@H](O)C3)ccc21 2235116373 VTAOIUMRUVIMOF-GJZGRUSLSA-N 278.352 -0.027 10 10 CBCE CNC(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 42560477 VBYAGIAYGXPJLD-MRVPVSSYSA-N 271.342 -0.177 10 10 CBCE Oc1cc2c(c(O)c1O)CCN[C@H]2[C@H]1C[C@@H](O)CN1 75819378 PCXGUUOUTBBBBK-KNBVPPQFSA-N 266.297 -0.287 10 10 CBCE NC(=O)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCO1 170914246 BXLVWMFYCDVHBL-LLVKDONJSA-N 281.268 -0.014 10 10 CBCE Oc1cc2c(cc1CN[C@@H]1COC[C@H]1O)OCO2 323276084 KFXQNIXUIRBVHC-PSASIEDQSA-N 253.254 -0.030 10 10 CBCE COCCn1cc(C(=O)OCC(=O)C(C)=O)cn1 869743412 RXHORJWYOORHCC-UHFFFAOYSA-N 254.242 -0.156 10 10 CBCE NC(=O)C[S@@](=O)CC(=O)c1ccc(O)c(O)c1 1942054587 GBEQOANAOBCEQB-KRWDZBQOSA-N 257.267 -0.486 10 10 CBCE O=C1C[C@H](c2ccc(O)c(O)c2O)[C@@H](C(=O)O)C(=O)N1 1951852137 BVSUBYHETHKSRL-SVGQVSJJSA-N 281.220 -0.366 10 10 CBCE NS(=O)(=O)NCCNCc1cc(Cl)ccc1O 1995950055 QCJQEDKHCVEIBY-UHFFFAOYSA-N 279.749 -0.072 10 10 CBCE [N-]=[N+]=NCO[C@H]1C[C@H](n2ccc(O)nc2=O)O[C@@H]1CO 2060423942 WOHRZHPGLHIIKO-LKEWCRSYSA-N 283.244 -0.118 10 10 CBCE O=C(c1cccc(O)c1O)N1CCC1(CO)CO 2073919102 ALVDOHQWNSEECR-UHFFFAOYSA-N 253.254 -0.333 10 10 CBCE NC[C@@H](O)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 2191893596 CDMZYNBMEWBELL-LLVKDONJSA-N 275.312 -0.496 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNCCNCC2)cc1 2236202150 VJYSJFQPOAURPN-UHFFFAOYSA-N 298.412 -0.407 10 10 CBCE NC(=O)NCCNC(=O)c1ccn(-c2ccc(N)cc2)n1 160670229 FLSVOHOGKNEEBQ-UHFFFAOYSA-N 288.311 -0.147 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CC(=O)N2CCC[C@@H]21 305987613 NQQMAWASRCSMPK-GMSGAONNSA-N 252.278 -0.495 10 10 CBCE O=C1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)CN1 398314084 UTKVXSMUJPOIKQ-SSDOTTSWSA-N 250.254 -0.036 10 10 CBCE CN(C)C[C@H](N)CNC(=O)c1ccc(O)c(O)c1 717339349 PRQKSMIPLWRJKU-SECBINFHSA-N 253.302 -0.284 10 10 CBCE CONC(=O)CNC(=O)c1c(F)ccc(O)c1O 1639099699 YCSCGIPRWYMVSF-UHFFFAOYSA-N 258.205 -0.356 10 10 CBCE COC(CNC(=O)c1nnn(-c2ccc(N)cc2)n1)OC 1857879112 VIHRTWJFIXDJPC-UHFFFAOYSA-N 292.299 -0.407 10 10 CBCE COC[C@H](NCc1c(O)cccc1OC)C(N)=O 2042581876 WJLGCNLZLHJXMQ-VIFPVBQESA-N 254.286 -0.009 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2081009123 LQZPPWKAFFHXFR-AGIUHOORSA-N 252.314 -0.691 10 10 CBCE CCOc1cccc(CN2CC(N)(C(N)=O)C2)c1O 2109485720 PHKUPMRXFTZRNB-UHFFFAOYSA-N 265.313 -0.211 10 10 CBCE C[S@](=O)(CC1CNC1)=NC(=O)c1cc(O)nc(O)c1 2109489939 WZGCLKQJXCFSGQ-IBGZPJMESA-N 285.325 -0.050 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2CNC(=O)CN2)c1O 2139762816 VEQWBDGJQCRAEC-JTQLQIEISA-N 263.297 -0.595 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2219611364 ALENDPUIZPAFNA-WOPDTQHZSA-N 257.261 -0.263 10 10 CBCE COc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(CN)c1 2235966886 ZARPYENGKSXMQW-CQSZACIVSA-N 279.340 -0.030 10 10 CBCE COc1cccc(CNCCS(=O)(=O)CCO)c1O 2335767770 PTILAPUVBLPRHU-UHFFFAOYSA-N 289.353 -0.103 10 10 CBCE O=c1[nH]cc(S(=O)(=O)Nc2ccc(O)cc2)c(=O)[nH]1 5329146 PBPXFCWUNSBPEO-UHFFFAOYSA-N 283.265 -0.430 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1cc(F)ccc1O 83413913 CKVKPRJGGNUIPH-SNVBAGLBSA-N 256.233 -0.180 10 10 CBCE CCNC(=O)[C@H]1CNCCN1C(=O)c1cccc(O)c1O 126692906 ZATPPTTZOXEOPS-SNVBAGLBSA-N 293.323 -0.352 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)c1ccc(O)c(O)c1 227046546 UTARNFLBHDVFHL-VIFPVBQESA-N 255.226 -0.639 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](O)[C@@H](O)C1 235198773 XECMTNCAPIVJOX-ZHAHWJHGSA-N 265.313 -0.367 10 10 CBCE N=C(NO)[C@H]1COCCN1C(=O)c1ccc(O)c(O)c1 700156736 CJBBECYVPUHPEM-MRVPVSSYSA-N 281.268 -0.105 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@]12COC[C@H]1C2 718027041 RTGKIHAJISUGDY-ISTVAULSSA-N 278.308 -0.127 10 10 CBCE NC(=O)c1c[nH][nH]c1=NC(=O)c1cc(O)c(O)c(O)c1 1865876390 IBBTVGHWMPUDSM-UHFFFAOYSA-N 278.224 -0.700 10 10 CBCE O=C(N=c1ccnc(O)[nH]1)c1cc(O)c(O)c(O)c1 1865876671 ZMHRJSYVNCCIAE-UHFFFAOYSA-N 263.209 -0.027 10 10 CBCE C[C@@H](NC(=O)[C@@H]1CNC(=O)CN1)c1ccccc1O 1877577654 DGWMRCMGPOIYDX-SCZZXKLOSA-N 263.297 -0.343 10 10 CBCE CN(CCCN=[N+]=[N-])C(=O)CNS(=O)(=O)N(C)C 1912163947 PXCXMOYEBRGILW-UHFFFAOYSA-N 278.338 -0.459 10 10 CBCE Cn1c(CN2CC[C@@H](N=[N+]=[N-])C2)cc(=O)n(C)c1=O 1912197384 SNOIJXAWJNXCHJ-MRVPVSSYSA-N 264.289 -0.031 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@H]3CCNC3=O)cc21 1916805106 YWXLKTCZKZJCSH-CMPLNLGQSA-N 274.324 -0.013 10 10 CBCE Cn1[nH]c(=O)c(=O)nc1Sc1ncc(CO)s1 1949565853 RTRXCQNLHJBTEZ-UHFFFAOYSA-N 272.311 -0.431 10 10 CBCE CS(=O)(=O)CC[C@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049783853 BRSCNEWGXJBQSP-CIUDSAMLSA-N 276.358 -0.986 10 10 CBCE CC(=O)N1CC(NC(=O)c2cnn3c(O)cc(C)nc23)C1 2064758566 AVVIDUMRUUQHEW-UHFFFAOYSA-N 289.295 -0.296 10 10 CBCE NC(=O)[C@H]1CCN1C[C@H](O)COc1ccc(N)cc1 2089358627 IINXZVIHDFXOLD-CMPLNLGQSA-N 265.313 -0.432 10 10 CBCE O=C(NC[C@@H]1C[C@@H](CO)CO1)c1cc(O)nc(O)c1 2101330746 DPUONLDPDMWFSY-CBAPKCEASA-N 268.269 -0.380 10 10 CBCE C[P@]1(=O)C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2121333212 KHZHPLGSGXCUNB-XVQOFKDTSA-N 286.224 -0.041 10 10 CBCE CN[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1OC 2146742983 WZHHDZPNZBFPRW-NXEZZACHSA-N 281.312 -0.058 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2[C@@H]3C[C@@H]2CN3)cc1 2191646275 SJEDMPCVFWOFCQ-JIMOISOXSA-N 297.380 -0.073 10 10 CBCE O=S1(=O)CC(O)(CNCc2cc(F)ccc2O)C1 2256071229 IQSSBVDWRAAYEZ-UHFFFAOYSA-N 275.301 -0.220 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]1[C@H](O)CO 2258325467 ICHUGJJJVUKGDW-JGVFFNPUSA-N 254.242 -0.940 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H](O)C1 2329245508 YEWJZSDHPUXZAG-GUBZILKMSA-N 266.297 -0.393 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2333979214 KOYXPXRIKMZZDH-WTDIUWLJSA-N 267.325 -0.049 10 10 CBCE NCCNC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 48834760 SOQDPSSMGMDZNL-QMMMGPOBSA-N 283.284 -0.649 10 10 CBCE CN(C[C@]1(O)CCNC1)C(=O)c1ccc(O)c(O)c1 234308025 VUYAFMKPJGQFOY-ZDUSSCGKSA-N 266.297 -0.106 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](CO)[C@@H](O)C1)NC(=O)CO2 316208563 SIOOIOMEBXBNNJ-CPCISQLKSA-N 279.296 -0.611 10 10 CBCE NC[C@@]1(NC(=O)c2cccc(O)c2O)CCOC1 393975259 YSMPTUZLGIUVLZ-LBPRGKRZSA-N 252.270 -0.055 10 10 CBCE NC[C@H]1COC[C@H]1NC(=O)COc1ccc(N)cc1 1876450455 BNGLEWNJWRCOJE-JOYOIKCWSA-N 265.313 -0.263 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912200317 GCGVYLUMKVYBQC-SSDOTTSWSA-N 276.322 -0.706 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC2(F)CNC2)cc1 2071697559 FLJCRECINQOCGI-UHFFFAOYSA-N 273.333 0.000 10 10 CBCE N[C@@H]1C[C@H](O)[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 2096495216 LGCJAPQPYGBPCJ-CIUDSAMLSA-N 267.285 -0.679 10 10 CBCE N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)[C@H]2COC[C@@H]12 2102180153 HIXNTGFCDKXFLJ-AEJSXWLSSA-N 264.281 -0.104 10 10 CBCE COC[C@@H](CO)NC(=O)c1cc(OC)nc(OC)c1 2110634420 JYEFCNFZWSEHSX-SECBINFHSA-N 270.285 -0.164 10 10 CBCE NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 2118153547 ABTWISHSHASFSV-HTQZYQBOSA-N 266.253 -0.842 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@@H]2COC[C@H]21 2188873826 AKCWHQCEISKZAN-XLDPMVHQSA-N 281.264 -0.365 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@]2(CO)CCCNC2)cc1 2191619478 BHRCPGUMDCSSKW-CYBMUJFWSA-N 299.396 -0.197 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H]2O 2258329270 QLQRMLYVOTUMTQ-VROVMSAKSA-N 250.254 -0.054 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2C[C@H]1CO2 388671197 RYJMQDVJTVKDFZ-AXFHLTTASA-N 278.308 -0.033 10 10 CBCE O=C(N[C@@H]1COCC[C@@H]1O)c1cc(O)nc(O)c1 710867753 TXZVYSFIJLADBT-SFYZADRCSA-N 254.242 -0.628 10 10 CBCE CN1CCOC[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1 861517052 CSBSITZOQJTDBZ-GFCCVEGCSA-N 292.339 -0.346 10 10 CBCE CCS(=O)(=O)N(C)Nc1ncc(C(N)=O)s1 1901348320 GVNYVFVXEZKPNM-UHFFFAOYSA-N 264.332 -0.150 10 10 CBCE COc1ccc(O)c([C@H]2CS(=O)(=O)NCCN2)c1 1952460323 YHAXKTXZHCMNIC-SNVBAGLBSA-N 272.326 -0.036 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CNC[C@H]2CCO3)C1 2049786066 IQZCUVIECWQSOO-PRFIWBCESA-N 252.314 -0.370 10 10 CBCE N[C@H]1CCCN(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2050185744 SAYSMDLMCTYKMF-DCAQKATOSA-N 253.346 -0.325 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@H](N)CO)cc1 2071676977 OCJGCTIDCGWITO-JTQLQIEISA-N 253.302 -0.527 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@H]2NC(=O)C(=O)N[C@@H]2C1 2166791550 UFTYDYKGAFQUCP-FBIMIBRVSA-N 275.308 -0.248 10 10 CBCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1O 2183627584 RTUQMYODJJJGDK-CKLFPEKLSA-N 280.324 -0.277 10 10 CBCE CN(C[C@@H]1CNCCO1)C(=O)c1cc(O)c(O)c(O)c1 2188920914 ZOBWZQQCVBRMQH-VIFPVBQESA-N 282.296 -0.136 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(CC(=O)c3ccc(O)c(O)c3)C[C@H]21 2201295576 CAHSDZBNJLFFJY-YFKFIEJBSA-N 276.292 -0.056 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1cccc(OC)c1O 83496868 JQIINFJPGIUEIU-SNVBAGLBSA-N 268.269 -0.310 10 10 CBCE Oc1cccc2c1[C@@H](C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)NCC2 83659981 UZSZEEBWDOJWFF-QHSBEEBCSA-N 277.320 -0.008 10 10 CBCE CO[C@@H]1COCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 386905965 ZLHZVERRBMYCSG-PSASIEDQSA-N 257.294 -0.064 10 10 CBCE Cn1cnnc1[C@H](CO)NC(=O)c1cccc(O)c1O 1167481004 FFCVLFNSYCMVFM-QMMMGPOBSA-N 278.268 -0.310 10 10 CBCE COC(=O)[C@@H](CO)NC(=O)Nc1ccc(N)cc1 2071558966 UAFOBWPEHWSEJI-SECBINFHSA-N 253.258 -0.076 10 10 CBCE O=C(O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1F 2120644510 DRLIWNHRWOSRID-RQJHMYQMSA-N 270.216 -0.013 10 10 CBCE COc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2O)c(O)c1 2121364860 QVDQUAGLWVEMMX-CMPLNLGQSA-N 287.337 -0.352 10 10 CBCE CN(C)C[C@@H](O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2188874011 CGXHZANKRVVTDW-SECBINFHSA-N 284.312 -0.202 10 10 CBCE CN[C@@H](CCOc1nnc(=N)[nH]n1)C(F)(F)F 2213782051 ZQSVKJXJLKYPPK-BYPYZUCNSA-N 252.200 -0.402 10 10 CBCE NCCOCCOCCNC(=O)c1ccc(O)c(O)c1 2233847620 DGFNQXPQPORUDN-UHFFFAOYSA-N 284.312 -0.181 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)OC(F)(F)O2 2235075650 GVQIPQYDJVPQFD-XLDPMVHQSA-N 289.234 -0.089 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(C=O)c1 2235986736 NUHQSNHJKYXLSN-STQMWFEESA-N 279.292 -0.182 10 10 CBCE NC(=O)[C@@H](c1ccc(O)c(O)c1)N1CCNCC1 37945599 FZNQECSGAUSCNB-LLVKDONJSA-N 251.286 -0.471 10 10 CBCE CC(=O)NC1CN(c2cc3c(cc2N)OCC(=O)N3)C1 387728169 VMOYLRIMWCAJID-UHFFFAOYSA-N 276.296 -0.076 10 10 CBCE O=C(NCC1(F)CNC1)c1cc(O)c(O)c(O)c1 2068624652 RJIDUJYKGRSJNM-UHFFFAOYSA-N 256.233 -0.155 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N 2132413739 PTZMSGOVZZHXFQ-GMSGAONNSA-N 268.269 -0.399 10 10 CBCE N[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2157501588 DXZUNYPBXXBGIP-HLTSFMKQSA-N 280.280 -0.443 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1[C@H]2COC[C@H]12 2174684620 SUUMPRRPJBQOTL-GUBZILKMSA-N 278.308 -0.271 10 10 CBCE COC[C@@H]1CNCCN1C(=O)c1cc(O)c(O)c(O)c1 2188918028 BDNJHOMJCDLQGF-VIFPVBQESA-N 282.296 -0.136 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1CCNC(=O)[C@H]1C(N)=O 2240828288 BUWFUJUIXOWLMK-JOYOIKCWSA-N 277.324 -0.162 10 10 CBCE CS(=O)(=O)CC(=O)NCCOc1ccc(N)cc1 70127409 HGKSLICUNVLLBA-UHFFFAOYSA-N 272.326 -0.192 10 10 CBCE COc1ccc(O)c([C@@H](N)C(=O)NC[C@@H](C)O)c1 83398451 SCCRNYAOIJTDKG-RDDDGLTNSA-N 254.286 -0.102 10 10 CBCE C[C@@]1(O)CCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 235441607 USVGWEJTMXIYLU-IINYFYTJSA-N 280.324 -0.049 10 10 CBCE CC(=O)N(C(=O)CNC(N)=O)c1ccc(N)cc1 243152409 JOFSVIDYJKFYKX-UHFFFAOYSA-N 250.258 -0.183 10 10 CBCE CN1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C(=O)N1 393910793 ZDSGYZFHFHPJFD-SNVBAGLBSA-N 284.341 -0.967 10 10 CBCE CN(C)S(=O)(=O)CC(=O)NCc1ccccc1O 752595617 HGJJLRYSCFTDPA-UHFFFAOYSA-N 272.326 -0.100 10 10 CBCE C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccccc1O 1587451218 MLIFXPNZLLHKMJ-QMMMGPOBSA-N 289.295 -0.040 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1F 1614606379 PCPGVUKMIADCCP-UTSKPXGSSA-N 286.223 -0.705 10 10 CBCE C[C@@](O)(CO)CNC(=O)Cc1ccc(O)c(O)c1 2027476415 AZKIOIWBHYKFGM-LBPRGKRZSA-N 255.270 -0.500 10 10 CBCE Cn1cc([C@H](N)C(=O)C(=O)C[C@H]2C[C@H](N)C2)nn1 2049780941 OSQIDSZGSKXNNE-BYULHYEWSA-N 251.290 -0.920 10 10 CBCE NC(=O)CC[C@@H]1NC(=O)N(c2ccc(N)cc2)C1=O 2141185594 BEMPIXBCYWRENM-VIFPVBQESA-N 262.269 -0.041 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](CO)C[C@H]3CO)ccc21 2146081194 NUMUFFIDYRHSLZ-DVYJOKAKSA-N 277.324 -0.182 10 10 CBCE O=C(CN1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O)c1ccc(O)c(O)c1 2160688812 GHLUFRWNJBHGSE-HZZFPTLFSA-N 279.292 -0.294 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@@H](O)C3)c(F)cc2[C@@H]1O 2161395229 ZANJKAMFQWJERJ-QHMRUWFYSA-N 282.271 -0.257 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H]2NC[C@@H](O)[C@H]2O)cc1 2201140361 HDUGLRHYIRCVBZ-JHJVBQTASA-N 279.340 -0.938 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@H]1NC(=O)Cc1ccc(N)cc1 2207463275 DGPWREQFULVUQZ-NEPJUHHUSA-N 298.364 -0.261 10 10 CBCE NC(=O)COCCOC(=O)COc1ccc(N)cc1 2232239300 WOKVEMPKBBRSHF-UHFFFAOYSA-N 268.269 -0.307 10 10 CBCE O=C(N[C@H]1CO[C@@H]2CNC[C@@H]21)c1cccc(O)c1O 2330885805 WCYGZRXJXJICSX-WCABBAIRSA-N 264.281 -0.186 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCCc2ccc(F)cc2)C1=O 169995747 PIJFBQNQLDEAQV-NSHDSACASA-N 293.298 -0.006 10 10 CBCE O=C1CN[C@@H](c2nc(-c3ccc(O)c(O)c3)no2)CN1 236581769 OMVYSZXZMPCQJY-SSDOTTSWSA-N 276.252 -0.092 10 10 CBCE CN1CCOC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 1148589733 JCQLPZYYIVOHCR-SECBINFHSA-N 282.296 -0.136 10 10 CBCE CN(C)c1ccc(CNCC(=O)Nc2nn[nH]n2)cc1 1857855138 RHXFBOVHLROLTL-UHFFFAOYSA-N 275.316 -0.006 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2ccccc2O)C[C@@H]1O 1890596842 LONVNKPDMXVAAZ-AAEUAGOBSA-N 267.281 -0.226 10 10 CBCE NC(=O)N1CC(NC(=O)c2ccc(O)c(O)c2)C1 1917781907 LLQNOKAWFDHCOX-UHFFFAOYSA-N 251.242 -0.410 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2C[C@@H]3OCC[C@H]3N2)C1 2049783321 URAQGKQRRAOXLS-OMHSBUABSA-N 252.314 -0.229 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC(F)(C(=O)O)C1 2058118693 FQZIQTMQJXUMJU-UHFFFAOYSA-N 256.189 -0.259 10 10 CBCE COc1cc(N2CC(O)(C(N)=O)C2)ccc1CO 2084012188 MDGVPSYYONRCBN-UHFFFAOYSA-N 252.270 -0.776 10 10 CBCE NC(=O)NC1CN(c2cc3c(cc2N)OCCO3)C1 2106923747 LFGSIUAVLDLLEI-UHFFFAOYSA-N 264.285 -0.103 10 10 CBCE CO[C@H]1CNC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2148018288 CDQBJHKCTSCUTJ-MFKMUULPSA-N 280.324 -0.009 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2CNCCOC2)cc1 2191630304 YWRUECDYXJBVCD-GFCCVEGCSA-N 299.396 -0.076 10 10 CBCE NC(=O)C1(N)CN(C(=O)CCOc2ccc(N)cc2)C1 2191659272 OEPHVFOUQODXOJ-UHFFFAOYSA-N 278.312 -0.937 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3CN[C@@H](CO)[C@H]3C2)cc1 2235573325 KTXNSOQSPSRCQY-UBHSHLNASA-N 275.352 -0.150 10 10 CBCE COCCN(C[C@H](C)O)C(=O)c1cc(O)nc(O)c1 2272442041 PJOURNGMYUUXFP-QMMMGPOBSA-N 270.285 -0.038 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(Cl)c1 2273651507 PHSQKWUJGBPVHF-ICCXJUOJSA-N 286.759 -0.051 10 10 CBCE CN(C)C(=O)[C@@H]1CNCCN1Cc1ccc(O)cc1O 89083606 WRWWEVOHRQLGFX-LBPRGKRZSA-N 279.340 -0.040 10 10 CBCE COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 168956181 VRFWCZZBPNORGZ-YUMQZZPRSA-N 282.252 -0.759 10 10 CBCE O=C1C[C@@H](NC(=O)[C@@H]2CNc3ccccc3N2)CN1 229150675 MWOFMUWBCSOMTF-KCJUWKMLSA-N 260.297 -0.103 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)[C@H](O)C1)CCC(=O)N2 236364334 VBBCLSGUXZFZSF-VXGBXAGGSA-N 263.297 -0.305 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H]2CNC[C@H]21 686546760 WMAOCYJBFDKEMX-RKDXNWHRSA-N 265.269 -0.694 10 10 CBCE Cc1nn(CC(=O)NCc2cc(O)ccc2O)c(=O)o1 1303225859 PQNOLIZSFCPWLP-UHFFFAOYSA-N 279.252 -0.128 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@](N)(C(=O)O)C2)cc1 1876491186 KUYQAZXKTVOBAW-ZDUSSCGKSA-N 263.297 -0.174 10 10 CBCE CC(=O)C(=O)[C@H](O)c1c(Br)nnn1C 1929239814 FYDXQHGFMOMQQU-ZCFIWIBFSA-N 262.063 -0.231 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NCc1ccc(O)cc1O 2053781448 XWZWZJPVGLLTAU-ONGXEEELSA-N 252.270 -0.170 10 10 CBCE Nc1ccc(O)c(CN2CCOC[C@H]2[C@@H](O)CO)c1 2090134790 AGDXDJHMTOVCEB-AAEUAGOBSA-N 268.313 -0.472 10 10 CBCE NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccc(O)c1O 2118154615 JLOWYCFFDOCGPE-POYBYMJQSA-N 266.253 -0.842 10 10 CBCE CN(Cc1ccc(N)cc1)C(=O)CN1C(=O)CNC1=O 2148896045 ZLCJRUXRFDXZPB-UHFFFAOYSA-N 276.296 -0.221 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)[C@H]1CC(=O)NC1=O 2171199800 FJTIZDOIUMFBML-QMMMGPOBSA-N 278.264 -0.373 10 10 CBCE COC[C@H](O)CNC(=O)COc1ccc(N)cc1 71263541 VFMWCADAPIPNNY-SNVBAGLBSA-N 254.286 -0.229 10 10 CBCE C[C@H](c1ccc(O)cc1O)N1CCNC[C@@H]1C(N)=O 88659659 GEJKPLCXRDFGHK-LDYMZIIASA-N 265.313 -0.082 10 10 CBCE COC(=O)[C@H](O)CNC(=O)CCOc1ccc(N)cc1 227202656 WMWYHDKCMWEKDA-LLVKDONJSA-N 282.296 -0.312 10 10 CBCE O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 236549271 NUVHHXMWPUXVGU-SFYZADRCSA-N 267.237 -0.242 10 10 CBCE NCCCC[C@H](NC[C@@H]1SC(=S)NC1=O)C(=O)O 247706556 FLDSVSUIAHKEOU-BQBZGAKWSA-N 291.398 -0.325 10 10 CBCE O=C(NCC1(CO)COC1)c1ccc(O)c(O)c1 717576232 VIZJVMLGCZUMKJ-UHFFFAOYSA-N 253.254 -0.164 10 10 CBCE CN1CCN(C(=O)c2nnn(-c3ccc(N)cc3)n2)CC1 1857878501 FCQPHXFMVUOIIM-UHFFFAOYSA-N 287.327 -0.368 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2C[C@@](N)(C(=O)O)C2)cc1 1876449235 NAURXKBJFOSJCF-MJHDQNEOSA-N 263.297 -0.128 10 10 CBCE Nc1ccc(CC(=O)NC2(C(=O)O)CC(O)C2)cc1 1878972839 HLEODKDUKYEAPF-UHFFFAOYSA-N 264.281 -0.094 10 10 CBCE NCCN(CCN)C(=O)CCc1ccc(N)cc1 2071707673 UDHZZAQOWFZBAR-UHFFFAOYSA-N 250.346 -0.053 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]1CO 2101297953 IRBGHYGYTRYBIB-KXUCPTDWSA-N 266.297 -0.535 10 10 CBCE CCS(=O)(=O)NC1CN(C(=O)Cc2ccc(N)cc2)C1 2165628842 OHSTZJXMVWDBSV-UHFFFAOYSA-N 297.380 -0.039 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2166419608 RUSFOCNRPGCDQC-GUYICBEASA-N 277.324 -0.090 10 10 CBCE CNCc1nc(NC(=O)c2cc(O)c(O)c(O)c2)n[nH]1 2188918469 FANPOKMAQSRHMB-UHFFFAOYSA-N 279.256 -0.107 10 10 CBCE CN[C@H](CCOc1nnc(=N)[nH]n1)C(F)(F)F 2213782052 ZQSVKJXJLKYPPK-SCSAIBSYSA-N 252.200 -0.402 10 10 CBCE COc1ccc(N2CCN(CCO)C(=O)C2)c(CO)c1 2236001167 DRJCMJMCKPOKOB-UHFFFAOYSA-N 280.324 -0.172 10 10 CBCE N[C@@H](c1nnc([C@H](O)CO)o1)c1cc(O)ccc1O 83494131 MQSCHIRTSLBRQX-RKDXNWHRSA-N 267.241 -0.445 10 10 CBCE NC(=O)[C@H]1CCN(C(=O)COc2ccc(N)cc2)C1 236259786 UFIULTQRSLYLLC-VIFPVBQESA-N 263.297 -0.019 10 10 CBCE C[C@H](CC(N)=O)NC(=O)c1cc(O)c(O)c(O)c1 2068567789 SRUHUAMTOGYRRH-RXMQYKEDSA-N 254.242 -0.203 10 10 CBCE N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cc(O)nc(O)c2)C1 2096495217 LGCJAPQPYGBPCJ-HRDYMLBCSA-N 267.285 -0.679 10 10 CBCE CO[C@H]1C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2131666981 UHHXRWIVIPZSEZ-SBMIAAHKSA-N 266.297 -0.129 10 10 CBCE CNC(=O)C1(NC(=O)c2cc(O)c(O)c(O)c2)CC1 2132409717 HTADNWUZEMWCDN-UHFFFAOYSA-N 266.253 -0.188 10 10 CBCE NC[C@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132410698 PCJKBFDHWAQUPN-YUMQZZPRSA-N 268.269 -0.493 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCNC[C@H]1CO 2132419950 YCPWNGSOQAKMDD-QMMMGPOBSA-N 268.269 -0.790 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NC(=O)CCc1ccc(N)cc1 2174100207 JSPZRJZJYZAFDL-AAEUAGOBSA-N 277.324 -0.040 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1N 2188924171 PHGSLWWZKQFJRR-DTWKUNHWSA-N 281.312 -0.483 10 10 CBCE COc1cc(N2CCC(O)(C(N)=O)CC2)ccc1CN 2204551160 ZSTBULRUPFTFTN-UHFFFAOYSA-N 279.340 -0.030 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CC[C@@H]1O 2205487930 ZXGGERZYYDUXLJ-VWYCJHECSA-N 280.324 -0.145 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(C)c1 2219581101 WBZBEZAABTWGMS-AVGNSLFASA-N 253.298 -0.094 10 10 CBCE N=c1nnc(OC[C@H]2CNCc3ccccc32)n[nH]1 2226133787 LZSHNBJBRAHKPB-SECBINFHSA-N 258.285 -0.055 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1F 2226923334 WATBXKNEXSEPPT-RGNHYFCHSA-N 275.251 -0.124 10 10 CBCE COc1cc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)ccc1CN 2289485134 HYJJKIRRKAETRT-SCDSUCTJSA-N 282.340 -0.696 10 10 CBCE COC[C@@H](CO)NC(=O)COc1ccc(N)cc1 228841257 BRDLQVYUDPPSJN-SNVBAGLBSA-N 254.286 -0.229 10 10 CBCE CC(C)(C)n1nnc([C@@H](NCCN=[N+]=[N-])C(N)=O)n1 697251020 YWPGOUMKLRZLMU-LURJTMIESA-N 267.297 -0.146 10 10 CBCE NC(=O)CN1CCN(C(=O)Nc2ccc(N)cc2)CC1 705999305 ZEXSDWSLMMBLFH-UHFFFAOYSA-N 277.328 -0.096 10 10 CBCE CNC(=O)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1466100004 XFWGBAXDRCAPER-ZETCQYMHSA-N 252.270 -0.109 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)Cn2nc(O)ccc2=O)C1 1912156342 SZUGSPUKOQZBGI-UHFFFAOYSA-N 250.218 -0.530 10 10 CBCE Cn1cc(S(=O)(=O)NCc2ccc(N)cc2)nn1 2027853489 VXQNERFYBSCMAK-UHFFFAOYSA-N 267.314 -0.124 10 10 CBCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@@H](O)C(=O)O 2056769461 SJVNSYNIDRDWCV-SPGJFGJESA-N 256.214 -0.943 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3CNC[C@@H]32)cc1 2071663408 FISDIPHQTPYBNQ-ZSBIGDGJSA-N 267.354 -0.094 10 10 CBCE COC[C@@H](ON)C(=O)NCCc1ccc(O)c(O)c1 2091756126 ZVWAVFWKJODWKW-LLVKDONJSA-N 270.285 -0.338 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@H]2COC[C@@H]12 2102138774 XIZANYVZEWCEFJ-YIZRAAEISA-N 265.269 -0.709 10 10 CBCE NC(=O)[C@H]1CNCCN1c1ccc2c(c1)OCCO2 2106327735 YDXUHBBEOMZPKL-SNVBAGLBSA-N 263.297 -0.279 10 10 CBCE COc1ccc(O)c(CNCCS(=O)(=O)CCO)c1 2335766995 GWGRXPQDCRVJOZ-UHFFFAOYSA-N 289.353 -0.103 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc(CNC2CC2)cc1 61808303 NQIGWWZAGRSMNE-UHFFFAOYSA-N 276.340 -0.284 10 10 CBCE CN(C(=O)Cn1cc(F)c(=O)[nH]c1=O)c1ccc(N)cc1 110523845 JZNCEGCGOJSUMG-UHFFFAOYSA-N 292.270 -0.079 10 10 CBCE NC(=O)NC(=O)COc1ccc(N2CCNCC2)cc1 148439139 MAIPKVUYVCSSMQ-UHFFFAOYSA-N 278.312 -0.330 10 10 CBCE [N-]=[N+]=NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1O 204972031 IKZBULOUWHBODB-XVFCMESISA-N 271.208 -0.557 10 10 CBCE O=C(NC[C@@H]1CN2CCN1CC2)c1ccc(O)c(O)c1 394824998 ZBUYVDMTACRJRS-LLVKDONJSA-N 277.324 -0.173 10 10 CBCE CN1CC[C@@H]1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 712548093 NHRLNZUJJSUYGD-MNOVXSKESA-N 279.340 -0.212 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNC[C@@H]2O)cc1 1876408330 HMZFHBQQRXHGQY-RYUDHWBXSA-N 285.369 -0.589 10 10 CBCE Nc1ccc(CCC(=O)NCC2(CO)CNC2)cc1 2137086532 VLVFSGIIUJSSNN-UHFFFAOYSA-N 263.341 -0.101 10 10 CBCE O=C(O)C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 2174352296 RNIYLUYJUQIAJL-JGVFFNPUSA-N 282.252 -0.600 10 10 CBCE Nc1ccc(O)c(CNC(=O)[C@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)c1 2174577351 QCTMRTCNXXLDKK-IAZYJMLFSA-N 296.348 -0.119 10 10 CBCE COc1ccc(N2CCN(C[C@H](O)CO)CC2)c(N)c1 2178041435 YCOHORVOXMRXAZ-NSHDSACASA-N 281.356 -0.247 10 10 CBCE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1c(N)cccc1C(N)=O 2192673298 DFCYHVLQDUOLAU-ZJUUUORDSA-N 298.368 -0.835 10 10 CBCE COc1cc(N2CCOC[C@H]2[C@H](O)CO)ccc1CO 2204557160 MNUYXQZKJGNWSS-QWHCGFSZSA-N 283.324 -0.254 10 10 CBCE N[C@@H](C(=O)NC[C@H](O)CO)c1cccc(F)c1O 83429646 ZKEUAWOFNHTNGJ-IMTBSYHQSA-N 258.249 -1.000 10 10 CBCE COCC1(O)CN(C[C@H](O)COc2ccc(N)cc2)C1 395003758 GMMFDJMORNRPNS-LBPRGKRZSA-N 282.340 -0.298 10 10 CBCE Nc1ccc(O)c(CNS(=O)(=O)N2CC[C@H](O)C2)c1 1914170436 VKHLENXJZCZDHK-JTQLQIEISA-N 287.341 -0.625 10 10 CBCE CN(C)Cc1cc([C@H](N)[C@H](O)C(=O)O)ccc1O 1952508648 IWJNFCYGLALPJC-QWRGUYRKSA-N 254.286 -0.101 10 10 CBCE [N-]=[N+]=NCCCN1CCN[C@@H]2CS(=O)(=O)C[C@H]21 2006173066 XJHPYWLUZGUYOG-RKDXNWHRSA-N 259.335 -0.242 10 10 CBCE COc1ccc(CN2CC(N)(C(N)=O)C2)c(O)c1 2047098501 GQXAUEKOVGQFRH-UHFFFAOYSA-N 251.286 -0.601 10 10 CBCE COC1(CO)CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2101062790 YFUACZRDVYAJBL-NSHDSACASA-N 263.297 -0.164 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)C1(CO)CNC1 2114528563 RHMBYRISPCEQRB-UHFFFAOYSA-N 266.297 -0.662 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CCC(=O)NC1 2127088611 UEZDHCKQPSIZIN-MRVPVSSYSA-N 265.269 -0.157 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2COC[C@H]12)c1cc(O)c(O)c(O)c1 2188916007 MKVWBZLDEUHIAC-SOCHQFKDSA-N 281.264 -0.053 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCC[C@](N)(CO)C2)cc1 2191792152 ONDTWVSDBFVZKY-CYBMUJFWSA-N 299.396 -0.116 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCC2(CO)CO)cc1 2194350766 AAAURKQJUJGFQY-GFCCVEGCSA-N 282.340 -0.562 10 10 CBCE C[C@H](NS(C)(=O)=O)C(=O)NCc1cccc(O)c1O 1303195553 VMUJKCMJOXTOFF-ZETCQYMHSA-N 288.325 -0.348 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)CC23CNC3)cc1 1876432623 VSCDFUPXASAHLU-GFCCVEGCSA-N 261.325 -0.254 10 10 CBCE Nc1ccc(CN2CC[C@H](O)[C@H](O)[C@@H]2C(=O)O)cc1 1891411302 MQIQYRCUGRVXLR-TUAOUCFPSA-N 266.297 -0.351 10 10 CBCE CN(c1ccc(CN)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 2038055567 AMHJSIGIRKRJJB-VXGBXAGGSA-N 270.354 -0.261 10 10 CBCE Nc1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@H]2CF)c1 2084796181 ASSBYMAIVBFAQA-ADEWGFFLSA-N 256.277 -0.150 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2104422841 JPEUEGCYIHEGCP-UFGYURQFSA-N 265.265 -0.336 10 10 CBCE COc1cccc(O)c1CN1CCNC[C@@H]1C(N)=O 2104437634 JAYZJDLDUYSILY-SNVBAGLBSA-N 265.313 -0.340 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1F 2127252487 ODUMXDONACLUDE-VXGBXAGGSA-N 268.288 -0.405 10 10 CBCE N[C@@H](CCNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132411191 SXDJRCHJAANJGF-LURJTMIESA-N 270.241 -0.665 10 10 CBCE CCO[C@@H]1CNCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2146728833 FOMKYNOMTUIAOC-VHSXEESVSA-N 281.312 -0.010 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@H]2O 2182528202 IUULBZZPCARUMO-KGOITJQVSA-N 279.292 -0.089 10 10 CBCE CN(c1ccc(CO)c([N+](=O)[O-])c1)[C@@H]1CC(=O)NC1=O 2188576057 LJRNUAPJTSVXCS-SNVBAGLBSA-N 279.252 -0.062 10 10 CBCE C[C@]1(CO)C[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188868096 LYJZQHSACKJQRN-ISVAXAHUSA-N 283.280 -0.239 10 10 CBCE CNC(=O)NCCCNC(=O)c1cc(O)c(O)c(O)c1 2188919017 JPTOEFSFPWPUQU-UHFFFAOYSA-N 283.284 -0.148 10 10 CBCE NC(=O)C1[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4N)C[C@@H]12 2201293114 JKQIUDGSUMYMOJ-KBVBSXBZSA-N 272.308 -0.194 10 10 CBCE Nc1ccc(OCCN2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332921334 IFBNAPXMUWBHPX-XQQFMLRXSA-N 268.313 -0.954 10 10 CBCE Nc1ccc(OCC(=O)N2CC([C@@H](O)CO)C2)cc1 2336873945 KDNIJVDLHJGCEW-LBPRGKRZSA-N 266.297 -0.541 10 10 CBCE CCCCN1C(=O)/C(=C\NNC(=N)N)C(O)=NC1=S 38169858 BSISTOKAEQQUFF-WAYWQWQTSA-N 284.345 -0.258 10 10 CBCE C[C@@H](O)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 40470891 SMRWZPNQQUTLPQ-HQJQHLMTSA-N 252.270 -0.239 10 10 CBCE O=C1CN(c2ccc3c(c2)OCO3)C[C@H](C(=O)O)N1 217042468 UUPDUAUAYXPQKE-MRVPVSSYSA-N 264.237 -0.195 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2C[C@H](O)[C@H](O)C2)cc1 236375204 MWXZIPSZSBCPOM-WCFLWFBJSA-N 268.313 -0.954 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](CO)C1)NC(=O)CO2 316208566 SIOOIOMEBXBNNJ-HQJQHLMTSA-N 279.296 -0.611 10 10 CBCE O=C1Nc2cc(N3CCC(CO)(CO)C3)ccc2[C@H]1O 694633831 CERIFYIYTRGYBF-GFCCVEGCSA-N 278.308 -0.147 10 10 CBCE COCC(=O)NCCC(=O)NCc1ccc(O)cc1O 1570462399 RRKVGYVRFQGXNH-UHFFFAOYSA-N 282.296 -0.133 10 10 CBCE COC[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O 1638643776 DXPUAECCVXAJRT-ZCFIWIBFSA-N 259.233 -0.026 10 10 CBCE NC[C@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 1876411623 SGJOUKHGOVLQPM-VXGBXAGGSA-N 285.369 -0.508 10 10 CBCE CO[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1N 1876416289 UUSRJBOORKIMKF-VXGBXAGGSA-N 285.369 -0.244 10 10 CBCE C[C@@H](O)CNCCNC(=O)COc1ccc(N)cc1 1876514381 LPTFJWGBMNKORT-SNVBAGLBSA-N 267.329 -0.266 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2CCNC[C@H]2CO)cc1 1971920672 OOBXXNBUIGQOQM-AAEUAGOBSA-N 263.341 -0.102 10 10 CBCE [N-]=[N+]=NCC1(CNS(=O)(=O)C2CS(=O)(=O)C2)CC1 2054028634 FUTSGLPBKIQEQH-UHFFFAOYSA-N 294.358 -0.207 10 10 CBCE O=C(N[C@@H]1[C@@H]2C[C@@H]1CN2)c1cc(O)c(O)c(O)c1 2068617070 GHRAUPATLFKNTK-FWWHASMVSA-N 250.254 -0.107 10 10 CBCE CCOC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2101419458 SVAHQCUMQOJAEE-ZETCQYMHSA-N 270.241 -0.288 10 10 CBCE O=C1Nc2cc(N3CCCC3(CO)CO)ccc2[C@H]1O 2146075971 GXRZFEYXMMIYKO-GFCCVEGCSA-N 278.308 -0.004 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H](O)CCN1 2177464839 IKODGSGQBCENCT-WDEREUQCSA-N 280.324 -0.131 10 10 CBCE NCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2218685266 OYWSHFMYRXSYBC-CHWSQXEVSA-N 252.314 -0.560 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)OCCCO2 2235131671 NBSBGYDFZMALER-UHIISALHSA-N 281.308 -0.249 10 10 CBCE CNCc1cc(OC)ccc1N(CC(N)=O)CC(N)=O 2235969899 KEMCATTYRZOQLK-UHFFFAOYSA-N 280.328 -0.808 10 10 CBCE Cc1cc(O)ccc1NS(=O)(=O)C[C@@H](N)C(=O)O 2258162109 LHBBDBMQHQJUNS-MRVPVSSYSA-N 274.298 -0.146 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(OC)c1 2333691794 VXNWRGXNMMNAKI-WZRBSPASSA-N 269.297 -0.394 10 10 CBCE Nc1cc2c(cc1N1C[C@@H]3C[C@H]1[C@@H](O)[C@@H]3O)OCCO2 2354474222 KUOFTNQTNHNSRF-RZUQZRBISA-N 278.308 -0.030 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1 36798235 VMJXDALWXLARCM-AWEZNQCLSA-N 295.383 -0.382 10 10 CBCE Cn1c(N)c(NCc2ccccc2O)c(=O)[nH]c1=O 133738943 JQWBKSJZLUAHDD-UHFFFAOYSA-N 262.269 -0.027 10 10 CBCE NCC1(O)CN(c2cc3c(cc2N)NC(=O)CC3)C1 1876365564 FFBLTTOBBXFABC-UHFFFAOYSA-N 262.313 -0.337 10 10 CBCE O=S1(=O)C[C@H](c2ccc(O)c(O)c2O)NCCN1 1952528389 QIFJDNMNEVMVSA-SSDOTTSWSA-N 274.298 -0.633 10 10 CBCE O=C(N[C@H]1COC[C@@H]1CO)c1cc(O)nc(O)c1 2029857406 LCHZEGDPWQHSCK-YUMQZZPRSA-N 254.242 -0.770 10 10 CBCE O=C(NCCC(CO)CO)c1cc(O)nc(O)c1 2064520616 NJCONCQTBDFSFX-UHFFFAOYSA-N 256.258 -0.787 10 10 CBCE COC(=O)[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 2087726840 LHEDSKPGXHSUOF-SNVBAGLBSA-N 269.253 -0.710 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(O)(CO)C1 2115308710 IKWBWQMIDPYOPQ-SECBINFHSA-N 265.313 -0.365 10 10 CBCE Cc1cc(N2CCNC(=O)[C@@H]2C(N)=O)ccc1CN 2127701773 PQKHSEIQPHWPHY-NSHDSACASA-N 262.313 -0.756 10 10 CBCE O=C(c1cc(O)nc(O)c1)N(C1CNC1)[C@H]1CCOC1 2143767098 OIAXTDNYYSTHAB-VIFPVBQESA-N 279.296 -0.304 10 10 CBCE C[C@]1(O)CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1O 2201526632 CSCKQHSMWMSIAV-JSGCOSHPSA-N 281.308 -0.016 10 10 CBCE O=C(NCc1[nH]ccc(=O)c1O)c1cc(O)nc(O)c1 2239277225 XPWQJGFTBHGIQG-UHFFFAOYSA-N 277.236 -0.183 10 10 CBCE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1n1ccc(N)nc1=O 33815360 XSOIFZFGJWIAOQ-MTSNSDSCSA-N 266.261 -0.581 10 10 CBCE COc1ccc([C@H](N)C(=O)NCCCO)c(O)c1 83398372 KMJXZIBVRDVRNQ-NSHDSACASA-N 254.286 -0.101 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1c1cc2c(cc1N)OCCO2 1876553535 MZYSAEGDUQPQOI-DTWKUNHWSA-N 265.313 -0.062 10 10 CBCE NCCN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1969426380 FKLCHSCZSJQORR-UHFFFAOYSA-N 279.340 -0.257 10 10 CBCE Nc1ccc(CC(=O)NC[C@H](CO)C(=O)O)cc1 2067739758 KCJBHXQIJXFSLJ-SECBINFHSA-N 252.270 -0.379 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H](CO)CCCO)cc1 2090382176 MDRJKZXXLVMDHP-LLVKDONJSA-N 268.313 -0.103 10 10 CBCE COc1cccc(O)c1CN(CC(N)=O)CC(N)=O 2104433125 APROAEYOIZIRTR-UHFFFAOYSA-N 267.285 -0.827 10 10 CBCE N[C@]1(C(=O)NCc2ccccc2O)CCS(=O)(=O)C1 2115542633 DDYRHROULPYCNV-GFCCVEGCSA-N 284.337 -0.476 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@@H](O)C1 2177948148 KBMKHYCWNVBBSU-MXWKQRLJSA-N 280.324 -0.003 10 10 CBCE CN1CCc2cc(N3CC[C@](O)(CO)[C@H](O)C3)ccc21 2235116372 VTAOIUMRUVIMOF-CABCVRRESA-N 278.352 -0.027 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@@H]1[C@@H]2CO 2311860053 UZRGNBOEHPHBPE-IWSPIJDZSA-N 250.254 -0.054 10 10 CBCE COCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 48631569 AEWAXQHCGRUBSS-QMMMGPOBSA-N 269.253 -0.144 10 10 CBCE Cc1ccc(O)c([C@H](N)C(=O)NCCOCCO)c1 83497400 JZNVBIGWCBFGLB-LBPRGKRZSA-N 268.313 -0.174 10 10 CBCE NC(=O)COCCNC(=O)COc1ccc(N)cc1 230026226 DZSVVNZFLGFRBN-UHFFFAOYSA-N 267.285 -0.734 10 10 CBCE CNC(=O)C1CN(C[C@H](O)COc2ccc(N)cc2)C1 381991745 KLMUNWMKIUMZCK-LBPRGKRZSA-N 279.340 -0.314 10 10 CBCE CCN1CC(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 393653461 RIOWURXZTJTTOE-NSHDSACASA-N 279.340 -0.212 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)[C@@H](CO)C1 699527457 IWWCMCKHXNHNQK-SNVBAGLBSA-N 266.297 -0.154 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N(C)[C@@H]3COC[C@H]3O)cc21 709476491 MSKYOAHXDGQYBX-UPJWGTAASA-N 277.324 -0.141 10 10 CBCE O=C(CO)NCCC(=O)NCc1c(O)cccc1F 928710556 UTOFXUXGAALTFH-UHFFFAOYSA-N 270.260 -0.354 10 10 CBCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCS(=O)(=O)C1 1912177960 IWCDVZSQSQKIAH-SCZZXKLOSA-N 289.361 -0.045 10 10 CBCE C[C@@H](CS(N)(=O)=O)NCc1cccc(O)c1O 1947445262 IZJZGEPOYGOQIX-ZETCQYMHSA-N 260.315 -0.136 10 10 CBCE Nc1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@H]2CF)c1 2084796183 ASSBYMAIVBFAQA-USWWRNFRSA-N 256.277 -0.150 10 10 CBCE O=C1CCN(C(=O)c2cc(O)nc(O)c2)CCCN1 2089104449 TXISOQFJUCTNBI-UHFFFAOYSA-N 265.269 -0.155 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(F)c1 2127250507 JAPVSYFVIFAIAW-VXGBXAGGSA-N 268.288 -0.405 10 10 CBCE Nc1ccc(OCCN2CCOC[C@@H]2[C@H](O)CO)cc1 2146328877 JRWQREXLMWDRDG-ZIAGYGMSSA-N 282.340 -0.298 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H]1[C@@H](O)CO 2188874417 HGEFCSUMSGVEJF-KCJUWKMLSA-N 283.280 -0.239 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(C)c1 2219581100 WBZBEZAABTWGMS-AGIUHOORSA-N 253.298 -0.094 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1CCNC(=O)[C@H]1C(N)=O 2240827887 BUWFUJUIXOWLMK-BXKDBHETSA-N 277.324 -0.162 10 10 CBCE O=S(=O)(CCO)CCNCc1ccc(O)cc1O 2314162869 IMRBGXOJVLESJX-UHFFFAOYSA-N 275.326 -0.406 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@@H](O)C1 40459844 PDJNTJXGUYRSPK-MNOVXSKESA-N 280.324 -0.049 10 10 CBCE COc1ccc(O)c(CNC(CO)(CO)CO)c1 234883093 DYIMMZIIWQIKNO-UHFFFAOYSA-N 257.286 -0.794 10 10 CBCE C[C@@H](CNC(=O)c1cccc(O)c1O)S(N)(=O)=O 398359170 LJYZXKWHOINFGR-LURJTMIESA-N 274.298 -0.495 10 10 CBCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC(=O)N1 1627912794 GVFCYJDOMHMULN-MRVPVSSYSA-N 264.281 -0.013 10 10 CBCE O=C(C[C@@H]1CC(=O)N1)NCc1cc(O)ccc1O 1643881722 CDOKEOCIOQMSAW-MRVPVSSYSA-N 250.254 -0.007 10 10 CBCE CN(Nc1ncc(CC(=O)O)s1)S(C)(=O)=O 1901341146 PZHCLUHCUJFOFO-UHFFFAOYSA-N 265.316 -0.012 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1CNC[C@@H](O)C1 2037837507 SSQQKRXVSGGJFL-QWRGUYRKSA-N 250.298 -0.021 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2cccc(O)c2O)C1 2057721029 RAKYGHRZIYYMDV-PSASIEDQSA-N 273.310 -0.655 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCNC[C@H]1O 2071718023 PPPNJYMSDHJWNI-NXEZZACHSA-N 250.302 -0.498 10 10 CBCE Nc1ccc(CC(=O)NCC[C@H](N)C(=O)O)cc1 2071726647 NAVQNHRPNZXTBW-JTQLQIEISA-N 251.286 -0.271 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1F 2081010685 XUGDBNOXGRJLMJ-WOPDTQHZSA-N 256.277 -0.813 10 10 CBCE CO[C@H]1CN[C@@H](CNC(=O)c2cc(O)nc(O)c2)C1 2115850089 DKLFGGCKAYLNCM-RKDXNWHRSA-N 267.285 -0.401 10 10 CBCE COCCCNC(=O)Cn1ccc2c(c1=O)CNCC2 2150802065 YAVZILTVKRVSSY-UHFFFAOYSA-N 279.340 -0.353 10 10 CBCE C[C@H]1CNC[C@H](CCNC(=O)c2cc(O)nc(O)c2)O1 2181157926 GMUZUPDJRDUZLA-WPRPVWTQSA-N 281.312 -0.010 10 10 CBCE N[C@@]1(C(=O)O)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188918571 GHMQIKGIKXLYQE-LBPRGKRZSA-N 282.252 -0.569 10 10 CBCE C[C@]1(O)CN(C(=O)COc2ccc(N)cc2)CC[C@@H]1O 2201508240 RAFSEQQGWFQRTR-JSGCOSHPSA-N 280.324 -0.008 10 10 CBCE CN(C(=O)C1=C[C@H](O)[C@H](N)C1)c1cccn(C)c1=O 2224781430 HFZPVARAISJWQY-KOLCDFICSA-N 263.297 -0.634 10 10 CBCE Cc1ccc(O)c(CNC(=O)[C@H](N)CC(N)=O)c1 83384668 WWNJVDCIJFHPHK-SECBINFHSA-N 251.286 -0.480 10 10 CBCE NC[C@H](O)C(=O)NCc1cc([N+](=O)[O-])ccc1O 83408371 GJMAYYMRBFXOIC-VIFPVBQESA-N 255.230 -0.764 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCOC[C@H]2CO)cc1 253083009 XQEUQBQJKMBPNZ-OLZOCXBDSA-N 282.340 -0.298 10 10 CBCE O=C1Cc2cc(N3CCNCC3)ccc2N1C[C@@H](O)CO 259406989 ITRFWEDRNUPQFD-CYBMUJFWSA-N 291.351 -0.662 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](c2nn[nH]n2)C1 720630136 ZLIFTLUVSGAWHK-LURJTMIESA-N 276.256 -0.364 10 10 CBCE Cc1cccc(O)c1CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1963064554 WQIHDJJDOKWMKI-QWRGUYRKSA-N 277.324 -0.281 10 10 CBCE O=C1N[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]2NC1=O 1974194252 HLORJAZCNMYAHZ-AOOOYVTPSA-N 279.271 -0.670 10 10 CBCE Oc1c(Cl)cccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046515160 UHENMCKMQFWMPJ-DMWPJOQESA-N 273.716 -0.010 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2ccc(O)c(O)c2O)C1 2121363297 GYJHDYSVNLMOEM-IONNQARKSA-N 289.309 -0.949 10 10 CBCE Cc1cc(CN)ccc1N1CC2(C1)OC[C@H](O)[C@H]2O 2127255734 ZCMAQEHZVFKQRT-QWHCGFSZSA-N 264.325 -0.235 10 10 CBCE NC[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2132413270 LJTWDWRCPXDUGO-QMMMGPOBSA-N 268.269 -0.397 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CC[C@@H]2O 2136297094 WJPRJFRZJAYSAT-XJFOESAGSA-N 265.309 -0.431 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@H](O)C3)ccc21 2188639212 RDLIAABHEBBKIG-UPJWGTAASA-N 277.324 -0.169 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@](O)(C(=O)O)C1 2188868839 XTGREQCGZFOISL-LBPRGKRZSA-N 283.236 -0.535 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2CNCC[C@H]2O)cc1 2191899229 UQCOCPTWTZXTNT-CHWSQXEVSA-N 279.340 -0.123 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1OC 2235126138 DFWXGKKZSFMJRQ-KBPBESRZSA-N 283.324 -0.002 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Cl 2273650549 JQRBDQRYCHTPTB-XDTLVQLUSA-N 286.759 -0.051 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)[C@@H]2COC[C@@H]21 2329203710 OKUWDSQQSSPAGW-HRDYMLBCSA-N 266.253 -0.676 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2333239509 PRNOCXIDIYHPLW-LOWVWBTDSA-N 268.288 -0.287 10 10 CBCE COc1ccc(N2CCN(CC(=O)NCCN)CC2)cc1 40605545 VSFKCRXIPITZHX-UHFFFAOYSA-N 292.383 -0.108 10 10 CBCE Nc1ccc(N2C(=O)COCC2=O)c(C(=O)O)c1 62831617 OTWOIACCMAWKNF-UHFFFAOYSA-N 250.210 -0.143 10 10 CBCE CN1CCN(C(=O)COc2ccc(N)cc2)CC1=O 84189715 LCKHQCDMHKCBOT-UHFFFAOYSA-N 263.297 -0.052 10 10 CBCE CNCc1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 703584577 SXJWZNLBZCPANF-RYUDHWBXSA-N 276.340 -0.571 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](CO)[C@@H](CO)C2)cc1 707623732 UATIVTCEPFLEPF-VXGBXAGGSA-N 264.325 -0.130 10 10 CBCE O=C(N[C@H]1COCC[C@@H]1O)c1cc(O)nc(O)c1 710867755 TXZVYSFIJLADBT-YUMQZZPRSA-N 254.242 -0.628 10 10 CBCE CN(C)C[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 716722485 HSYQFGUOOZZPFV-LBPRGKRZSA-N 287.385 -0.389 10 10 CBCE CN1CCOC[C@@H]1CNC(=O)c1cc(O)c(O)c(O)c1 1148589734 JCQLPZYYIVOHCR-VIFPVBQESA-N 282.296 -0.136 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2COC[C@@H]2N)cc1 1876456597 PFKWTZRDMCMFBE-RYUDHWBXSA-N 265.313 -0.120 10 10 CBCE Cc1cccc(CNS(=O)(=O)N(C)CCN)c1O 2084062051 BGXLIECMHHMVFF-UHFFFAOYSA-N 273.358 -0.074 10 10 CBCE O=C(NCC[C@H]1CNCCO1)c1cc(O)nc(O)c1 2087201351 NSFDBXQGSGNWGV-VIFPVBQESA-N 267.285 -0.399 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@H]2C[C@H]21 2171877678 OUVZFTVFHJASLM-CWSCBRNRSA-N 278.308 -0.033 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@](O)(CO)C1 2188868011 KQQKZOLSXKMRNO-ZDUSSCGKSA-N 283.280 -0.237 10 10 CBCE C[C@@H](N)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2201035426 JJDJHRMPZOQAMB-SKIJTGGZSA-N 288.294 -0.113 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@@H](n2cnc3c(N)nc(N)nc32)O[C@H]1CO 29474244 BFTAFRDMRHNFKO-SRQIZXRXSA-N 291.275 -0.051 10 10 CBCE O=C(CN1CCOC[C@H]1CO)c1ccc(O)c(O)c1 168294311 UVZGQSHLJGPKSL-SNVBAGLBSA-N 267.281 -0.026 10 10 CBCE COC(=O)[C@H](O)CNC(=O)c1cccc(O)c1O 234571291 ZFCRELXHIKKHAH-MRVPVSSYSA-N 255.226 -0.639 10 10 CBCE CCc1cccc(CNC(CO)(CO)CO)c1O 691496978 WLXIHSYTQVMZNU-UHFFFAOYSA-N 255.314 -0.240 10 10 CBCE Cc1cc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)ccc1CO 693460678 GINOSJNKXMVFNH-VXGBXAGGSA-N 277.324 -0.490 10 10 CBCE O=C1Nc2cc(N3C[C@@H](CO)[C@@H](CO)C3)ccc2[C@H]1O 704451105 IBQHSBNHHZBLHS-VYUIOLGVSA-N 278.308 -0.291 10 10 CBCE CCn1cc([C@@](C)(NCCN=[N+]=[N-])C(N)=O)nn1 714981087 NGKWGCFFWUDVJM-SECBINFHSA-N 252.282 -0.102 10 10 CBCE O=C1NC(=O)[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]12 1624592825 ZHLUOXCGMXNRFK-DTORHVGOSA-N 290.275 -0.629 10 10 CBCE COCCNC(=O)CNC(=O)Cc1ccc(O)c(O)c1 1628506292 FUEUOMSKLRYOSD-UHFFFAOYSA-N 282.296 -0.481 10 10 CBCE NCCCONS(=O)(=O)Cc1ccc(N)cc1 2016974424 PPXRINNDLJAJBS-UHFFFAOYSA-N 259.331 -0.031 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)C[C@@H](O)C1 2043180996 BUJKENSYILNBLL-HTQZYQBOSA-N 254.242 -0.940 10 10 CBCE NC(=O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C1CC1 2132408468 XBNBYWGKUAATJU-VIFPVBQESA-N 266.253 -0.203 10 10 CBCE Nc1ccc(OCCN2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2136337745 IFBNAPXMUWBHPX-RWMBFGLXSA-N 268.313 -0.954 10 10 CBCE Nc1ccc(CC(=O)N2CCOC[C@H]2[C@H](O)CO)cc1 2146322813 FPAHFAPDGWCFJN-QWHCGFSZSA-N 280.324 -0.608 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2273789979 HQURSSJGXRLFSS-QIRAZROLSA-N 267.325 -0.110 10 10 CBCE CC[C@H]1SC(=S)N(CC(=O)NCCO)C1=O 11635701 QGKJDIPMXKEUPU-ZCFIWIBFSA-N 262.356 -0.266 10 10 CBCE CNC(=O)[C@@H]1COCCN1CC(=O)c1ccc(O)c(O)c1 160121120 SNHOPNDEZCTYHL-JTQLQIEISA-N 294.307 -0.273 10 10 CBCE CN(C)S(=O)(=O)CCNC(=O)Cc1ccc(N)cc1 230979064 KPVSHTNRTAPVAN-UHFFFAOYSA-N 285.369 -0.181 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H](O)C(F)F 236309681 XXQFCPBDBXZWCU-OIBJUYFYSA-N 290.266 -0.290 10 10 CBCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(F)c1 387010656 QVGXJRNWQPCFST-DTORHVGOSA-N 263.272 -0.007 10 10 CBCE NCc1nc(NS(=O)(=O)Cc2ccc(N)cc2)n[nH]1 1876400932 GVQGYILKRNGSFN-UHFFFAOYSA-N 282.329 -0.213 10 10 CBCE CON(C)C(=O)CNC(=O)COc1ccc(N)cc1 1876434844 WLYDVTMHYJHGFD-UHFFFAOYSA-N 267.285 -0.216 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](N)C[C@@H](O)C2)cc1 1876437442 IFJFUJKRFKPGAU-GHMZBOCLSA-N 265.313 -0.432 10 10 CBCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)C1CS(=O)(=O)C1 1912145868 MFQCCPRWPVXTTM-SECBINFHSA-N 275.334 -0.435 10 10 CBCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3COCO3)c2n1 2063140806 ZHJPENAFFSDIJR-MRVPVSSYSA-N 278.268 -0.154 10 10 CBCE O=C(NCC1(CO)CNC1)c1cccc(O)c1O 2081958548 BAAUWFVNEIKYFA-UHFFFAOYSA-N 252.270 -0.591 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1COC[C@@H]1O 2132349041 XLQVCAWJGLODOU-XVKPBYJWSA-N 269.253 -0.365 10 10 CBCE O=C(N[C@H]1CCCNC1=O)c1cc(O)c(O)c(O)c1 2132351404 XDNVESJEVJGTQD-ZETCQYMHSA-N 266.253 -0.188 10 10 CBCE CN1CCc2cc([C@H](O)[C@H](N)c3nnnn3C)ccc21 2148168076 HFKGBHFABQILMF-RYUDHWBXSA-N 274.328 -0.064 10 10 CBCE CN(C)c1ccc(CNC(=O)C(=O)NCC(N)=S)cc1 2160466578 WZZRENHCHQUXGV-UHFFFAOYSA-N 294.380 -0.229 10 10 CBCE O=C(N[C@@]1(C(=O)O)CCOC1)c1cc(O)c(O)c(O)c1 2188867650 DWTKZFDIWSXRMR-LBPRGKRZSA-N 283.236 -0.223 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CNC2CC2)cc1 2201033779 MVIFZFOZUDMIPO-ILXRZTDVSA-N 278.352 -0.159 10 10 CBCE N[C@@H]1CC(C(=O)N2CCCc3nnc(O)cc32)=C[C@H]1O 2206095363 HDJKQDNFJDPCIZ-LDYMZIIASA-N 276.296 -0.520 10 10 CBCE Nc1cc(NS(=O)(=O)C2CS(=O)(=O)C2)ccc1O 2220580082 MRLMMFVJMSXKLY-UHFFFAOYSA-N 292.338 -0.487 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2273671411 FGXUQWCANCUNLL-FPMFFAJLSA-N 267.325 -0.362 10 10 CBCE Nc1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2289415488 XBUCUWGMLNOHII-BPNCWPANSA-N 282.340 -0.707 10 10 CBCE N[C@H](c1ccc(O)c(O)c1)c1nnc([C@@H](O)CO)o1 83494125 YHVHAXPOSZQMRA-DTWKUNHWSA-N 267.241 -0.445 10 10 CBCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCS(=O)(=O)C1 90256818 VVAIULSEUBOMKM-MRVPVSSYSA-N 262.291 -0.383 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@H](CO)C3)ccc21 250012758 IRVMCNKGGIXHKD-CABZTGNLSA-N 263.297 -0.164 10 10 CBCE C[C@@]1(CO)C[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 698126278 DYQJIZVXFBHWPC-UFBFGSQYSA-N 268.269 -0.549 10 10 CBCE COc1cccc(O)c1CN1CCN(CC(N)=O)C(=O)C1 839169192 GRLLLLJZCZNWHY-UHFFFAOYSA-N 293.323 -0.470 10 10 CBCE C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(O)cc1O 1162278992 PWYZRAFJCNVFRL-ZETCQYMHSA-N 288.325 -0.348 10 10 CBCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC(=O)N1 1627912795 GVFCYJDOMHMULN-QMMMGPOBSA-N 264.281 -0.013 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1NCC[C@@H](O)[C@H]1O 2184019243 ARVZEDUTUFDQTN-JHJVBQTASA-N 280.324 -0.566 10 10 CBCE CC[C@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2184141522 QWBDUUMHKFMQPD-NWDGAFQWSA-N 276.340 -0.114 10 10 CBCE Nc1ccc(OCC(=O)N2CCC[C@](N)(CO)C2)cc1 2191713496 DLQKGZMUPFFLEX-CQSZACIVSA-N 279.340 -0.040 10 10 CBCE Cn1[nH]c(CN)nc1=NC(=O)CCc1ccc(N)cc1 2191895608 LWPYDHMMTCURSE-UHFFFAOYSA-N 274.328 -0.151 10 10 CBCE CN(Cc1nnn(C)n1)S(=O)(=O)Cc1ccc(N)cc1 2197871768 YOGOYBUNTSTSFT-UHFFFAOYSA-N 296.356 -0.246 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)COCC2 2226710333 HAFGJZJXQSUEKM-RDBSUJKOSA-N 265.309 -0.338 10 10 CBCE CO[C@H](CN)CNS(=O)(=O)Cc1ccc(N)cc1 2317604495 BASLLFMMMZLMTL-LLVKDONJSA-N 273.358 -0.338 10 10 CBCE N[C@@H](CCO)C(=O)N1CCc2cc(O)c(O)cc2C1 2341152135 KVLFOKBNWLTSBJ-JTQLQIEISA-N 266.297 -0.308 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1[C@H]2COC[C@H]21 2355481441 SUUMPRRPJBQOTL-WJZNIJOASA-N 278.308 -0.271 10 10 CBCE Nc1ccc(CS(=O)(=O)NC(CO)CO)cc1 87749266 AEJBNPKUXKOHJO-UHFFFAOYSA-N 260.315 -0.959 10 10 CBCE COC[C@H](O)CCNC(=O)c1cc(O)nc(O)c1 230120965 RQMODNCZYSFJBW-MRVPVSSYSA-N 256.258 -0.380 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@](O)(CO)C2)cc1 313652832 LYMVAELSFPVCPJ-ZDUSSCGKSA-N 250.298 -0.233 10 10 CBCE COc1ccc(O)c([C@H](C)NC(C(N)=O)C(N)=O)c1 695274705 AUPXQUDVASXUID-LURJTMIESA-N 267.285 -0.609 10 10 CBCE O=C(N[C@H]1CCNC[C@@H]1O)c1ccc(O)c(O)c1 710368176 JJLQHDONTBUEMC-KWQFWETISA-N 252.270 -0.450 10 10 CBCE Cn1nncc1S(=O)(=O)Nc1ccc(O)cc1N 2027825945 JNDSUOFFNYWCEO-UHFFFAOYSA-N 269.286 -0.096 10 10 CBCE O=C(N[C@@H]1CNCC[C@@H]1O)c1ccc(O)c(O)c1 2063330464 ZJLZKMXRAICPFT-BDAKNGLRSA-N 252.270 -0.450 10 10 CBCE CN(C)c1ccc(CNS(=O)(=O)N2CC(O)C2)cc1 2104182525 DEBOFHBOFWWNGB-UHFFFAOYSA-N 285.369 -0.237 10 10 CBCE NCCOCCCNC(=O)c1cc(O)c(O)c(O)c1 2132412878 IGJBTMRNORUYRN-UHFFFAOYSA-N 270.285 -0.101 10 10 CBCE N[C@]1(CO)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 2144018318 HFYISRQHCFGPAK-CQSZACIVSA-N 280.324 -0.048 10 10 CBCE CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2236145933 BKUJUDMBZOHSFL-RKDXNWHRSA-N 282.304 -0.332 10 10 CBCE COC(=O)C1(NC(=O)c2cc(O)nc(O)c2)CC1 2256387282 FIBBHGLJZOBESP-UHFFFAOYSA-N 252.226 -0.072 10 10 CBCE CN(CCO)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40603372 UVTPORYHIMRKKB-VIFPVBQESA-N 298.295 -0.273 10 10 CBCE CC(=O)NCC(=O)NCCOc1ccc(N)cc1 63130497 HPCNAEFQKDWEKD-UHFFFAOYSA-N 251.286 -0.100 10 10 CBCE CS(=O)(=O)NCCNCc1ccc(O)c(O)c1O 235025215 YBEJBEYOJGWJBU-UHFFFAOYSA-N 276.314 -0.558 10 10 CBCE O=C(CN1C[C@H](O)[C@@H](CO)C1)c1ccc(O)c(O)c1 317152465 COYLXTFAXPJZAU-RNCFNFMXSA-N 267.281 -0.435 10 10 CBCE O=C(N[C@H]1CCOC[C@H]1O)c1cc(O)nc(O)c1 706777129 PYMUCAGUYQGZMY-JGVFFNPUSA-N 254.242 -0.628 10 10 CBCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H](O)[C@@H](CO)C1 1556967180 AYGVTKAIUZCXPH-BMHFLHBOSA-N 279.292 -0.077 10 10 CBCE CC(C)(CO)NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878535 GGCNLKOCXUFRPA-UHFFFAOYSA-N 276.300 -0.255 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@@H]2NCCO[C@H]21 1968738838 GEGVAHCGDFPFOO-AGIUHOORSA-N 278.308 -0.257 10 10 CBCE CC1(C)OCCO[C@@H]1[C@H](NCCN=[N+]=[N-])C(N)=O 2076656525 OOZCQPBTOJMDLT-JGVFFNPUSA-N 257.294 -0.066 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2CNC[C@@H]12)c1ccc(O)c(O)c1 2121654024 OWJPGKVIDSUKQM-YGOYTEALSA-N 264.281 -0.186 10 10 CBCE O=C(NCCn1cnnc1)c1cc(O)c(O)c(O)c1 2132349562 FEAOLLBLMJKAHD-UHFFFAOYSA-N 264.241 -0.175 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CO[C@@H]2CNC[C@@H]12 2178140667 SSFJUUXUGYLKFD-OPQQBVKSSA-N 278.308 -0.257 10 10 CBCE C[C@]1(O)CN(c2ccc3c(c2)NC(=O)[C@H]3N)CC[C@@H]1O 2201497610 DFJFWDDBCCYQGK-OBJOEFQTSA-N 277.324 -0.040 10 10 CBCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CO 2235966458 TVDRLNIMJMKNFZ-IHRRRGAJSA-N 282.340 -0.683 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(C=O)c1 2235988495 UTSYKRXHYWEVCW-KGLIPLIRSA-N 281.308 -0.198 10 10 CBCE Nc1ccc(CC(=O)N2CC([C@@H](O)CO)C2)cc1 2315262768 FOWZRAJHBORNBI-LBPRGKRZSA-N 250.298 -0.377 10 10 CBCE NC[C@H](O)c1nnc(-c2ccc(O)c(O)c2O)o1 83394527 YQONXBPXBRQFMP-LURJTMIESA-N 253.214 -0.155 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1cccc(OC)c1O 83496867 JQIINFJPGIUEIU-JTQLQIEISA-N 268.269 -0.310 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1C(=O)Cc1ccc(N)cc1 97289809 JGHOVMUAUCMPBU-QMMMGPOBSA-N 261.281 -0.315 10 10 CBCE NC(=O)CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CCNC1 236251657 PYCWIUSWRRZTQX-SECBINFHSA-N 279.296 -0.613 10 10 CBCE C[C@H]1OCCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C(=O)O 328108436 IPTWMLSMQZVBCE-LDWIPMOCSA-N 282.252 -0.193 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C[C@@H]1CO 687591860 QQYXFZHHQNGGGM-MFKMUULPSA-N 277.324 -0.215 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@H]3CO)c(F)cc2[C@H]1O 698135048 ACRGZXHONKEULU-QRPMWFLTSA-N 282.271 -0.257 10 10 CBCE C[C@@H](N)c1ccc(N(CC(N)=O)CC(N)=O)cc1 723162821 ADLAGIZRFYAVEO-MRVPVSSYSA-N 250.302 -0.517 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 803162208 BHRXAILGAPTHLI-KWEXDPCDSA-N 292.291 -0.440 10 10 CBCE Nc1nnn(CC(=O)NCCc2ccc(O)c(O)c2)n1 1445940728 WEJJDZNAKHBHKL-UHFFFAOYSA-N 278.272 -0.975 10 10 CBCE O=C(Cn1ncnn1)NCCc1ccc(O)c(O)c1 1631509928 HMTYVHYHVMQBRR-UHFFFAOYSA-N 263.257 -0.557 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)C1 1912152706 XJFKLHGVEKKYDS-DJLDLDEBSA-N 260.319 -0.224 10 10 CBCE C[C@@H](C(N)=O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2068575169 BBHWKIWTTFSLGT-YFKPBYRVSA-N 254.242 -0.251 10 10 CBCE COCCNC(=O)Cn1ccc2c(c1=O)CNCC2 2094406372 FLSODKQWYYNMCQ-UHFFFAOYSA-N 265.313 -0.743 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)cc1 2166791506 TWLJHFXZTASZGV-ZHAHWJHGSA-N 274.324 -0.491 10 10 CBCE CC(C)(O)[C@@](C)(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2178410416 DTGMVVZVHKDNQB-LBPRGKRZSA-N 284.268 -0.163 10 10 CBCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2200989686 AFDPLEYLMASPPW-MBNYWOFBSA-N 280.324 -0.874 10 10 CBCE Cn1c(=O)cc(O)n(C(=O)Cc2ccc(N)cc2)c1=O 2280537716 YELARSLRTMWMQU-UHFFFAOYSA-N 275.264 -0.282 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC2(CNC2)O1 2288579651 FTIVOUUAXFORDD-MRVPVSSYSA-N 279.296 -0.304 10 10 CBCE C[C@@H](N)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486848 ITJWIBNTLYIIJY-HTRCEHHLSA-N 268.269 -0.443 10 10 CBCE CN1CC(=O)N(CC(=O)Nc2ccc(N)cc2)CC1=O 94468970 LTEJLQJAEGWRBF-UHFFFAOYSA-N 276.296 -0.492 10 10 CBCE O=C(N[C@@]1(CO)CCOC1)c1cccc(O)c1O 393878723 IQGLIKLYAPCSNP-GFCCVEGCSA-N 253.254 -0.021 10 10 CBCE CN1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)NC1=O 830531866 NXYGGYIPDKHJHP-VIFPVBQESA-N 279.296 -0.220 10 10 CBCE O=C1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)CN1 1148589717 IKYPTHLNYYLHQR-ZCFIWIBFSA-N 266.253 -0.331 10 10 CBCE Nc1ccc(CCC(=O)N2CC(S(N)(=O)=O)C2)cc1 1914977636 QAZLFLZMLOCQAS-UHFFFAOYSA-N 283.353 -0.299 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N3CC(=O)N[C@H](C)C3)c2n1 2062203995 QVEXLTCCTRYFBH-MRVPVSSYSA-N 289.295 -0.296 10 10 CBCE CO[C@@H]1C[C@@H](NC(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2130695575 QHGQXUCPNHJGCU-XHNCKOQMSA-N 268.269 -0.239 10 10 CBCE C[C@H](O)c1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1O 2183643795 UMXOMXHIACHXHU-HJIKLVIJSA-N 281.308 -0.244 10 10 CBCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1ccc(C(=O)O)cn1 2188030759 MEDXJYXOWGOXQS-VHSXEESVSA-N 277.280 -0.239 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCOCC12CNC2 2188924596 RDEHKBZOZAUAJB-UHFFFAOYSA-N 280.280 -0.382 10 10 CBCE COC(=O)C1(NS(=O)(=O)Cc2ccc(N)cc2)CNC1 2191703950 LGBUFDGZRNAOQW-UHFFFAOYSA-N 299.352 -0.797 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CN)cc1 2218664308 QDPQUCFLELCNTD-JHJVBQTASA-N 252.314 -0.298 10 10 CBCE COC(=O)C1(O)CN(c2ccc(OC)cc2CN)C1 2227675699 LAHVUOWYIOYQGX-UHFFFAOYSA-N 266.297 -0.122 10 10 CBCE C[C@H](O)CN(CCN)C(=O)c1cccc(O)c1O 2257625918 AJTSMWHHGJBKMO-QMMMGPOBSA-N 254.286 -0.121 10 10 CBCE Nc1ccc(N=c2[nH]ccnc2S(N)(=O)=O)cc1 2258550311 MQZMMABGRCKGCD-UHFFFAOYSA-N 265.298 -0.128 10 10 CBCE CN(C(=O)CN1CC[C@H]1[C@@H](O)CO)c1ccc(N)cc1 2286203810 BEEWVEXCWZZBJK-STQMWFEESA-N 279.340 -0.341 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]3[C@@H](O)CO)ccc21 2286225667 JWAWKQCRUIAOLY-AGIUHOORSA-N 277.324 -0.169 10 10 CBCE NC(=O)CS(=O)(=O)CCC(=O)Nc1ccc(N)cc1 311329995 GMCRDDDEOYNEFK-UHFFFAOYSA-N 285.325 -0.503 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)[C@@H](CO)C1)OCCO2 316213355 SSDNYWURFVYVPF-LDYMZIIASA-N 266.297 -0.171 10 10 CBCE O=C(N[C@]1(C(=O)O)CCNC1)c1ccc(O)c(O)c1 692866125 WSAYFZZHMYFPRZ-GFCCVEGCSA-N 266.253 -0.356 10 10 CBCE C[C@@H](NC(=O)Cn1nnc(N)n1)c1ccccc1O 1471195900 QKTTWXFRVDCKTF-SSDOTTSWSA-N 262.273 -0.162 10 10 CBCE O=S(=O)(CCO)NCCc1ccc(O)c(O)c1 1943624165 DPUUUGFRNIRLNV-UHFFFAOYSA-N 261.299 -0.448 10 10 CBCE C[C@](O)(CO)CNC(=O)Cc1ccc(O)c(O)c1 2027476414 AZKIOIWBHYKFGM-GFCCVEGCSA-N 255.270 -0.500 10 10 CBCE CCCS(=O)(=O)C[C@](C)(NCCN=[N+]=[N-])C(N)=O 2051039287 XXFDCEHLYMPTEG-VIFPVBQESA-N 277.350 -0.045 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1N 2090581384 XSSJXHHPXDTPSJ-RKDXNWHRSA-N 267.285 -0.319 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2NC[C@H](O)[C@H]2O)c1O 2139759745 ZFMXPKHPIVNDKN-HOSYDEDBSA-N 266.297 -0.990 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1c(F)cc(CN)cc1F 2234075779 SHRIDWJDJPKFEU-NQBHXWOUSA-N 288.294 -0.020 10 10 CBCE CN(C(=O)CN1C(=O)CNC1=O)c1ccc(N)cc1 37273690 BBKBMSBHQXYXGP-UHFFFAOYSA-N 262.269 -0.217 10 10 CBCE Nc1ccc(NC(=O)CCN(CCO)CCO)cc1 40694861 CFANJQRIHGZQPS-UHFFFAOYSA-N 267.329 -0.116 10 10 CBCE NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 103479371 FZCVHZCDJWBJOH-GHMZBOCLSA-N 299.352 -0.981 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCn1ncnn1 1149892892 GAMHJKKOLLHKCU-UHFFFAOYSA-N 263.257 -0.557 10 10 CBCE Nc1ccc(CC(=O)N2CCNC[C@@H]2C(=O)O)cc1 1876487120 PYCDESWQRHYQIF-LLVKDONJSA-N 263.297 -0.304 10 10 CBCE O=C(N[C@]1(C(=O)O)C[C@H](O)C1)c1ccc(O)c(O)c1 1879060041 SUZGVOBPSQSAHQ-OGXFKERWSA-N 267.237 -0.194 10 10 CBCE C[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 1912174202 WGBVVUUNHHBPBC-VXNVDRBHSA-N 275.334 -0.293 10 10 CBCE O=C(NC[C@@H](F)C1CNC1)c1cc(O)nc(O)c1 2050106517 XULUYLIPZXMXKB-MRVPVSSYSA-N 255.249 -0.220 10 10 CBCE CO[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1N 2058633532 AYMZMYMYQKRAGX-SCZZXKLOSA-N 252.270 -0.104 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1 2127250506 JAPVSYFVIFAIAW-RYUDHWBXSA-N 268.288 -0.405 10 10 CBCE COc1ccc(N2CCOC[C@@H]2C(N)=O)c(CN)c1 2227679070 DPVWUMYAVUKDQI-GFCCVEGCSA-N 265.313 -0.156 10 10 CBCE CNC(=O)[C@H]1CNCCN1Cc1cc(OC)ccc1O 89083044 DXJBVIACZXKIQZ-GFCCVEGCSA-N 279.340 -0.079 10 10 CBCE [N-]=[N+]=NCCNC1(C(N)=O)CCS(=O)(=O)CC1 90258221 LSUOPKZVZBYXGP-UHFFFAOYSA-N 261.307 -0.681 10 10 CBCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1cn(CCO)nn1 90637911 WFMGQPYZJHQWCI-VIFPVBQESA-N 283.292 -0.226 10 10 CBCE O=C(NCc1cc(=O)[nH][nH]1)c1cc(O)c(O)c(O)c1 170190679 SAZDVMQFTYDIEZ-UHFFFAOYSA-N 265.225 -0.250 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)C[C@H]1CO 698139155 SKNPDBXUUALYOC-YUMQZZPRSA-N 254.242 -0.940 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CNCC[C@H]1CO 1876502682 VLSLAOYKBXWLHT-KWQFWETISA-N 264.329 -0.250 10 10 CBCE CC(C)([C@@H](NCCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2047896118 WCPFJBOGZWBWTI-ZETCQYMHSA-N 277.350 -0.047 10 10 CBCE CN1C[C@@H](O)[C@H](NCc2cc3c(cc2O)OCO3)C1 2090333506 JSVTUFJEHLONAK-MWLCHTKSSA-N 266.297 -0.115 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)cc1C 2108831924 NNALQGVWBAMFEQ-UVLXDEKHSA-N 267.325 -0.052 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2136339490 GWCHZUUHSMXPDN-AGIUHOORSA-N 286.759 -0.038 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](CO)C[C@H]1CO 2188868590 UEJGPGVVYNIAEE-CBAPKCEASA-N 283.280 -0.381 10 10 CBCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2201000819 AFCLXLVJPRULII-SKIJTGGZSA-N 289.278 -0.079 10 10 CBCE C[C@H](Sc1ncc(C(N)=O)s1)C(=O)NCC(=O)O 2223315677 JKWTZRCMDLQCOH-BYPYZUCNSA-N 289.338 -0.077 10 10 CBCE C[C@H]1C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 110658761 BJKDOLKAMNTRPJ-WRWORJQWSA-N 260.297 -0.037 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)C[C@@H]1CO)NC(=O)CO2 704708197 OEXFRYNYVAIVIG-HTQZYQBOSA-N 279.296 -0.468 10 10 CBCE NC(=O)[C@@H]1COCCN1c1ccc2c(c1)NC(=O)[C@@H]2N 723202092 RHFIRLVKALHGSY-WDEREUQCSA-N 276.296 -0.671 10 10 CBCE NC(=O)CN(CC(=O)O)Cc1ccc(F)cc1O 2084065980 WSVDCBKNGCAKDZ-UHFFFAOYSA-N 256.233 -0.097 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H]1CO 2092555736 PPWYNCJKWLWHSM-UWVGGRQHSA-N 266.297 -0.439 10 10 CBCE O=C(O)[C@H](F)C1CN(C(=O)c2cc(O)nc(O)c2)C1 2110530492 GUTIRKDYHJTSCZ-SECBINFHSA-N 270.216 -0.013 10 10 CBCE COc1ccc(CNCC(CO)(CO)CO)c(O)c1 2123211698 YLDNOZLCHNOJOO-UHFFFAOYSA-N 271.313 -0.546 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)C[C@@H](O)C1 2132351623 YVLGZVGVEVDCGE-OCAPTIKFSA-N 269.253 -0.629 10 10 CBCE COc1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)c(N)c1 2166792661 HKLAIRSVNKOZEV-NXEZZACHSA-N 276.296 -0.919 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2NCC[C@H](O)[C@@H]2O)c1O 2204622005 OLCNMNNCXUPDCR-LOWVWBTDSA-N 280.324 -0.599 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O 2329330225 GHGXOTZFOOKJPU-NIUASQORSA-N 266.253 -0.941 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2COC)cc1 2333608322 UCPPYFPBHFIRPK-MJBXVCDLSA-N 266.341 -0.037 10 10 CBCE C[C@H](O)CN(CCO)C[C@H](O)COc1ccc(N)cc1 313590582 ZIBUKLJVTXDYBV-AAEUAGOBSA-N 284.356 -0.316 10 10 CBCE O=C(CN1C[C@H](CO)[C@@H](CO)C1)c1ccc(O)c(O)c1 707603104 AKGPRLFXRHCVOA-GHMZBOCLSA-N 281.308 -0.187 10 10 CBCE C[C@@H](ON)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 708672971 KRERULACPDYGMN-SVRRBLITSA-N 284.268 -0.512 10 10 CBCE COCCNC(=O)CCN1C(=O)CSC1=S 1865764981 KQHIMJPOIFUMMT-UHFFFAOYSA-N 262.356 -0.001 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC2(CCN2)C1 2068620793 JXKYJSMUSNXYKL-UHFFFAOYSA-N 250.254 -0.009 10 10 CBCE CO[C@H]1COC[C@@H]1N(CC(N)=O)Cc1ccc(N)cc1 2146756631 OKCYUELTNANTEG-STQMWFEESA-N 279.340 -0.030 10 10 CBCE CN(C)[C@@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926690 AOWUNHNEKJILCU-DTWKUNHWSA-N 282.296 -0.138 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC(O)(CCO)C1 2258275268 HRGHACVVXLIWGH-UHFFFAOYSA-N 253.254 -0.333 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(CN)c1 2289404210 LTUITHKAUXAGMH-BPNCWPANSA-N 282.340 -0.696 10 10 CBCE O=C(NCC[C@@H](O)CCO)c1cccc(O)c1O 2326772536 LAVUVLFRJTVAPY-MRVPVSSYSA-N 255.270 -0.039 10 10 CBCE CC[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332920089 MJSNEZJRAXDPSY-RQJABVFESA-N 266.341 -0.001 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1COCCO1 40469048 BLGRXJMESHYLFC-QWRGUYRKSA-N 296.323 -0.501 10 10 CBCE N[C@@H](c1ccc(O)c(O)c1)c1nnc([C@@H](O)CO)o1 83494124 YHVHAXPOSZQMRA-IUCAKERBSA-N 267.241 -0.445 10 10 CBCE C[C@H]1O[C@H](Oc2ccc(N)cc2)[C@H](O)[C@@H](O)[C@@H]1O 106381112 CITVZWPAGDTXQI-UJDFUTJXSA-N 255.270 -0.525 10 10 CBCE Cn1cc([C@@H](NC(=O)c2cc(O)nc(O)c2)C(=O)O)cn1 130735451 GUDOULJNMQOZRZ-SNVBAGLBSA-N 292.251 -0.218 10 10 CBCE O=C(c1cccc(O)c1O)N1CCNC[C@@H](O)C1 310752343 VSAQVHJKEZOCQG-MRVPVSSYSA-N 252.270 -0.496 10 10 CBCE C[C@H](O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 386885147 JCOHEERSFIPOBU-NRPADANISA-N 268.313 -0.147 10 10 CBCE CN1C[C@@H](NCc2cc3c(cc2O)OCO3)C(=O)N1 393925366 QYAHHBIQAFARNO-MRVPVSSYSA-N 265.269 -0.444 10 10 CBCE O=C1Nc2cc(N3C[C@@H](CO)[C@H](CO)C3)ccc2[C@@H]1O 704451103 IBQHSBNHHZBLHS-RVBZMBCESA-N 278.308 -0.291 10 10 CBCE CN(Cc1nnnn1C)c1ccc2c(c1)NC(=O)[C@@H]2O 707630780 OEMJQWXHNSGSQS-LLVKDONJSA-N 274.284 -0.168 10 10 CBCE COC(=O)C1(O)CN(C(=O)c2ccc(O)c(O)c2)C1 714471030 CJHHJZSLYWTNFF-UHFFFAOYSA-N 267.237 -0.542 10 10 CBCE Cc1ccc(CNCCNS(N)(=O)=O)c(O)c1 2024808732 KPBFMKFGEPUYJV-UHFFFAOYSA-N 259.331 -0.417 10 10 CBCE CN1CCN(CC(=O)Nc2ccc(O)c(O)c2)CC1=O 2062272538 OWKCPHGKSNNVME-UHFFFAOYSA-N 279.296 -0.190 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2080924671 DDBKKXYPTIYLKP-SRVKXCTJSA-N 273.716 -0.265 10 10 CBCE NC[C@H]1C[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132414580 YJLXOMVOKKYLPT-SFYZADRCSA-N 268.269 -0.663 10 10 CBCE NCc1ccc2c(c1)CCN2[C@H]1CS(=O)(=O)C[C@@H]1O 2133389326 DURBXKMHJVPARI-STQMWFEESA-N 282.365 -0.334 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)O 2136097985 ZUIWACDMDQOKPA-UYZPKGHCSA-N 267.281 -0.056 10 10 CBCE COc1ccc(CN2CC(=O)NC[C@@H]2C(=O)O)c(O)c1 2201038851 NKNUIAZXGVQMPL-SNVBAGLBSA-N 280.280 -0.214 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)ccc1CN 2289485132 HYJJKIRRKAETRT-JKOKRWQUSA-N 282.340 -0.696 10 10 CBCE Nc1ccc(CN2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)cc1 2311669527 NFMJRIIIMXQCOS-GMTAPVOTSA-N 252.270 -0.741 10 10 CBCE Nc1ccc(OCC(=O)NCCS(N)(=O)=O)cc1 40304105 AMYHLZSIDKNHGZ-UHFFFAOYSA-N 273.314 -0.948 10 10 CBCE N[C@@H](C(=O)NC[C@H](O)CO)c1cc(F)ccc1O 83429637 IEBCVODGTGITQF-OIBJUYFYSA-N 258.249 -1.000 10 10 CBCE C[C@@H](c1ccc(O)cc1O)N1CCNC[C@@H]1C(N)=O 88659658 GEJKPLCXRDFGHK-GZMMTYOYSA-N 265.313 -0.082 10 10 CBCE CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(O)c(O)c1 234375800 BWVHVPCIQCSEOM-VIFPVBQESA-N 280.280 -0.315 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@H]1CO 236515975 SLZOIMCXCHUXFG-SECBINFHSA-N 253.254 -0.069 10 10 CBCE CN(Cc1nnnn1C)C(=O)c1ccc(O)c(O)c1 707374781 TZCITMZLFJTVJG-UHFFFAOYSA-N 263.257 -0.107 10 10 CBCE COC(=O)C1(O)CN(CC(=O)c2ccc(O)c(O)c2)C1 714487737 JNDRORDUZDFMNQ-UHFFFAOYSA-N 281.264 -0.500 10 10 CBCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCNCC1 1330567632 KOICDLVPCGILJG-UHFFFAOYSA-N 275.308 -0.334 10 10 CBCE C[C@H](N)[C@H](O)C(=O)NCCc1ccc(O)c(O)c1 2056844427 MKCFTPFBIKUEQU-CPCISQLKSA-N 254.286 -0.535 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@@H]2C[C@H]21 2068616084 WRTJECMCWCMFHF-HTQZYQBOSA-N 250.254 -0.010 10 10 CBCE C[C@@H](NCC(CO)(CO)CO)c1c(O)cccc1O 2123209483 IEOUOZAAQZGYNU-SECBINFHSA-N 271.313 -0.288 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1 2158393173 PWCMEHJFIFRKOD-AGIUHOORSA-N 298.364 -0.210 10 10 CBCE CNS(=O)(=O)C1CN(C(=O)CCc2ccc(N)cc2)C1 2187327862 UTCRKJQFFNMHHW-UHFFFAOYSA-N 297.380 -0.039 10 10 CBCE C[C@H]1CO[C@@H](CN)CN1C(=O)c1cc(O)c(O)c(O)c1 2188923269 LPOQARXUVFBMBD-CBAPKCEASA-N 282.296 -0.008 10 10 CBCE NOCCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2220609368 VCWUNWBVTLMOJC-UHFFFAOYSA-N 277.258 -0.068 10 10 CBCE CNCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(F)c1 2234099061 ZKILPAUVTSGGNE-ZIAGYGMSSA-N 284.331 -0.161 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(Cl)c1 2273671854 JSRQMBDAZGHRFX-JIMOISOXSA-N 287.743 -0.017 10 10 CBCE COC(=O)CS(=O)(=O)NCCc1ccc(N)cc1 42533763 QVRWIXBUJNJPJA-UHFFFAOYSA-N 272.326 -0.096 10 10 CBCE CCCNCc1ccc(N(CC(N)=O)CC(N)=O)cc1 61808300 OUUPVRDCDJQHLD-UHFFFAOYSA-N 278.356 -0.037 10 10 CBCE COC(=O)CNS(=O)(=O)CCOc1ccc(N)cc1 70490478 QAHABBCPNVTMFZ-UHFFFAOYSA-N 288.325 -0.260 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1ccc(O)c(O)c1 83397871 UZOZWNNEGGRNJA-SNVBAGLBSA-N 254.242 -0.613 10 10 CBCE Nc1ccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 311848737 IDSXDMNJFHXCKS-VIFPVBQESA-N 262.269 -0.517 10 10 CBCE CN(C)C[C@H](O)CN(C)C(=O)c1cc(O)nc(O)c1 690226652 WSDYBNBATSCUCI-VIFPVBQESA-N 269.301 -0.513 10 10 CBCE C[C@@H](C(N)=O)N(C)S(=O)(=O)Cc1ccc(N)cc1 711160750 JUWVPYAQHOGOEW-QMMMGPOBSA-N 271.342 -0.096 10 10 CBCE CO[C@H]1CNC[C@@H]1NC(=O)COc1ccc(N)cc1 1876491868 RYTCXQPCPJRZML-RYUDHWBXSA-N 265.313 -0.249 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2COC[C@@H]2O)cc1 2097825467 WIUCRCNKSGPOMH-JQWIXIFHSA-N 286.353 -0.305 10 10 CBCE CCOC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2101419457 SVAHQCUMQOJAEE-SSDOTTSWSA-N 270.241 -0.288 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@@H]2COC[C@H]21 2102177816 OKUWDSQQSSPAGW-HLTSFMKQSA-N 266.253 -0.676 10 10 CBCE CN(CC(CO)CO)c1cc2c(cc1F)[C@@H](O)C(=O)N2 2150413709 AGTDPFYWAJSNGG-GFCCVEGCSA-N 284.287 -0.152 10 10 CBCE NC1CN([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)C1 2158745429 BUVFYJSGLFFUJE-SNVBAGLBSA-N 277.324 -0.045 10 10 CBCE O=C(N[C@H]1CCOC[C@H]1CO)c1cc(O)c(O)c(O)c1 2193219449 RWRLPVVYVGMNCC-BDAKNGLRSA-N 283.280 -0.069 10 10 CBCE C[C@H](CNC(=O)c1cc(O)nc(O)c1)[C@@]1(O)CCNC1 2238427615 XQBGFIYUETYMND-AMIZOPFISA-N 281.312 -0.417 10 10 CBCE C[C@@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1ccc(O)cc1O 2329651161 QWEDGMFSZNGFHM-ULEGWKDBSA-N 269.297 -0.397 10 10 CBCE COC(=O)CN(CC(=O)OC)C(=O)Cc1ccc(N)cc1 61876318 GCIDPSWIXDQKNC-UHFFFAOYSA-N 294.307 -0.014 10 10 CBCE CNCc1ccc(N(CC(N)=O)CC(N)=O)cc1Cl 234409416 PMPZUXUVWSCGCM-UHFFFAOYSA-N 284.747 -0.164 10 10 CBCE O=C1CC2(CN1)CN(C(=O)Cc1ccc(O)c(O)c1)C2 1965207353 ZUIVUQXUTOBVBR-UHFFFAOYSA-N 276.292 -0.011 10 10 CBCE C[C@@H](CN)S(=O)(=O)NCCc1ccc(O)c(O)c1 2031072511 YSVRAPDINMVSRV-QMMMGPOBSA-N 274.342 -0.093 10 10 CBCE Nc1ccc(O)c(CNC(=O)[C@H]2CCS2(=O)=O)c1 2033313543 QBWQGEOAEMABGM-SNVBAGLBSA-N 270.310 -0.222 10 10 CBCE CN1CCOC[C@H]1C(=O)NCc1cc(N)ccc1O 2099572978 RNQIVAWJBJNVGX-NSHDSACASA-N 265.313 -0.079 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)c2ccc(O)c(O)c2)C[C@H]1O 2116188914 NFHPNEMNUPEWJI-BCMRRPTOSA-N 266.297 -0.074 10 10 CBCE CN=c1nc[nH]c(=NCCOc2ccc(N)cc2)[nH]1 2117267393 QDYGHKJCLYPCDW-UHFFFAOYSA-N 260.301 -0.170 10 10 CBCE CNC(=O)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132351341 WOYQQBVSOSMJOL-UHFFFAOYSA-N 266.253 -0.379 10 10 CBCE O=C(N[C@H]1CNCCOC1)c1cc(O)c(O)c(O)c1 2132399619 HBEWEVLGOKXMQT-QMMMGPOBSA-N 268.269 -0.478 10 10 CBCE COC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2132406454 IHURQPTXBPNDGN-ZCFIWIBFSA-N 270.241 -0.967 10 10 CBCE N=C(NO)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132408062 UEVGLDWLPKYJQM-UHFFFAOYSA-N 267.241 -0.169 10 10 CBCE NC(=O)[C@H]1C[C@H](N)CN(C(=O)c2ccc(O)c(O)c2)C1 2151041085 JHHGAQSPXLNQBT-IUCAKERBSA-N 279.296 -0.628 10 10 CBCE CC1(O)CC(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2158824044 ZLJPLKPLKHMSOV-XIRUVYRFSA-N 280.324 -0.003 10 10 CBCE NCC[C@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188924399 QDLNYDROLHIGOK-VIFPVBQESA-N 282.296 -0.007 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1F 2226923333 WATBXKNEXSEPPT-LWINAJNOSA-N 275.251 -0.124 10 10 CBCE COc1ccc(N2CC(=O)NC(=O)C2)c(C(=O)O)c1 2227673035 NEPMGNTXIHIITC-UHFFFAOYSA-N 264.237 -0.144 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(C=O)c1 2227694190 GJEXGOJLVYYZAM-RWMBFGLXSA-N 267.281 -0.590 10 10 CBCE CN(C)CC1(O)CN(C(=O)c2ccc(O)c(O)c2)C1 2343645576 VKVADUCONYLHJF-UHFFFAOYSA-N 266.297 -0.154 10 10 CBCE COC(=O)CS(=O)(=O)NCCOc1ccc(N)cc1 49061476 ICXRDNJNPNRMQQ-UHFFFAOYSA-N 288.325 -0.260 10 10 CBCE C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)NCCCO 83497289 VMEMKAXECXTYDM-ZDUSSCGKSA-N 268.313 -0.144 10 10 CBCE N[C@H](CO)c1nnc(CN2C(=O)CSC2=S)o1 83540724 BKGNFZUZLYXLEF-SCSAIBSYSA-N 274.327 -0.578 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCN(CCO)CC3)cc21 131351027 WELSXFFUIVXANU-AWEZNQCLSA-N 290.367 -0.223 10 10 CBCE CO[C@H]1C[C@H](CO)N(C(=O)c2cc(O)nc(O)c2)C1 311513480 HUGUERLAOQVHCK-BDAKNGLRSA-N 268.269 -0.285 10 10 CBCE COc1cccc(CN[C@H]2CN(C)NC2=O)c1O 393895574 UQXCWXBUYNWQAI-VIFPVBQESA-N 251.286 -0.164 10 10 CBCE N[C@@H]1C[C@H]2CN(C(=O)c3cccc(O)c3O)CCN2C1 405254792 KCPRRKLUXCTSQN-ZJUUUORDSA-N 277.324 -0.045 10 10 CBCE CN(C[C@H](O)COc1ccc(N)cc1)[C@H]1COC[C@@H]1O 709265582 LFYHUBZCPSBTGH-UBHSHLNASA-N 282.340 -0.300 10 10 CBCE NC(=O)[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723171039 KRTUQDFIZUYNFC-WRWORJQWSA-N 260.297 -0.050 10 10 CBCE COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC 1566837380 LIGVNBASSSEZGM-SECBINFHSA-N 283.280 -0.056 10 10 CBCE CN1C[C@H](C(=O)NCc2cc(O)ccc2O)NC1=O 1633598876 FQFLWLSNEPTDQF-SECBINFHSA-N 265.269 -0.262 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)N(C)CC(=O)NC1CC1 1912188682 QGRSEUUCLJWCHL-UHFFFAOYSA-N 268.321 -0.035 10 10 CBCE Cc1cc(N2CCNC(=O)[C@H]2C(N)=O)ccc1CN 2127701772 PQKHSEIQPHWPHY-LLVKDONJSA-N 262.313 -0.756 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H](F)[C@H](O)C1 2149205302 YSGKLKYCUFJNTE-HOTUBEGUSA-N 284.287 -0.491 10 10 CBCE O=C(O)Cn1cc(C(=O)NCc2ccccc2O)nn1 2157021986 OONXISMZPNMYBF-UHFFFAOYSA-N 276.252 -0.002 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4NC(=O)O[C@@H]4C3)ccc21 2176915869 CIFVWDMLFAWHCL-AXFHLTTASA-N 274.280 -0.065 10 10 CBCE COCC1(CNC(=O)c2cc(O)c(O)c(O)c2)CNC1 2188923002 JKYSWLAYZNVFTN-UHFFFAOYSA-N 282.296 -0.231 10 10 CBCE C[C@@H]1OC2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CC1(N)C2 2254783329 MMCIXJUGNLNJFQ-YXKKDWJCSA-N 252.314 -0.099 10 10 CBCE CO[C@H]1[C@@H](NC(=O)c2cccc(O)c2O)C[C@H]1N 2258689295 WPMZHUHZKHNANG-VHSKPIJISA-N 252.270 -0.058 10 10 CBCE CNCCCNC(=O)[C@H](N)c1ccc(O)c(O)c1 83395668 AIHCIHRAKVPVTP-LLVKDONJSA-N 253.302 -0.177 10 10 CBCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCCS(=O)(=O)C1 90260390 SCROFRQQLSOBCR-SECBINFHSA-N 275.334 -0.291 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCO[C@H](CO)C2)cc1 167019940 AJLZWUQJFGKAMR-OCCSQVGLSA-N 282.340 -0.298 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN2C[C@@H](O)C[C@H]2C1 405302308 JDFFDQQZGBCEQB-UWVGGRQHSA-N 278.308 -0.011 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC(NCCO)CC1 686191072 NFWKJEOCZVOLLJ-UHFFFAOYSA-N 281.312 -0.321 10 10 CBCE O=C(N[C@@H]1CCOC[C@H]1O)c1cc(O)nc(O)c1 706777128 PYMUCAGUYQGZMY-HTQZYQBOSA-N 254.242 -0.628 10 10 CBCE COC(=O)[C@H](NC(=O)c1ccc(O)c(O)c1)[C@H](C)O 707772782 GNLAEQRZHMFPGV-QUBYGPBYSA-N 269.253 -0.250 10 10 CBCE CN(C)C[C@@H](CO)NC(=O)c1ccc(O)c(O)c1 716748572 FCQFRFYAXWMDLE-VIFPVBQESA-N 254.286 -0.250 10 10 CBCE CN([C@H]1CCNC1=O)S(=O)(=O)Cc1ccc(N)cc1 1916817916 HKNXCBAYYCQECL-NSHDSACASA-N 283.353 -0.081 10 10 CBCE Cn1nc(O)n(CCc2ccc(O)c(O)c2)c1=O 2031078846 NHDQZGUTIIEEPH-UHFFFAOYSA-N 251.242 -0.059 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)C[C@@H](O)C2)cc1 2043185521 WTSFPOFKOHCINO-VXGBXAGGSA-N 250.298 -0.235 10 10 CBCE Oc1c(F)cccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2046514509 NZSDZOJQJWTNMP-LLHIFLOGSA-N 257.261 -0.524 10 10 CBCE OCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2063745779 HBCAVMQVDZIPLH-RYUDHWBXSA-N 251.282 -0.510 10 10 CBCE NC(=O)[C@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2068622111 UMXZBCZJXPSPSC-ZCFIWIBFSA-N 252.226 -0.497 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCCOC12CNC2 2088410111 WWJNZINDAJHIJK-UHFFFAOYSA-N 265.269 -0.345 10 10 CBCE O=C(N[C@@H](C(=O)O)C1COC1)c1cc(O)nc(O)c1 2104892958 SOKDBCZLCOHLJH-SECBINFHSA-N 268.225 -0.678 10 10 CBCE Oc1cccc2c1[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)CC2 2108831029 KUNWZWAMTFUIEK-IHFLQQNTSA-N 265.309 -0.176 10 10 CBCE O=C(NCC1(CO)CNC1)c1cc(O)c(O)c(O)c1 2137081509 GXOUXHDMSQUTPO-UHFFFAOYSA-N 268.269 -0.885 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1F 2183628276 XKHFYSOFEXPWKV-CABZTGNLSA-N 286.278 -0.266 10 10 CBCE CN1CCN(C(=O)C2=C[C@@H](O)[C@H](N)C2)c2cccnc21 2188029570 GMFYAJHNZOKYAG-ZYHUDNBSSA-N 274.324 -0.117 10 10 CBCE O=C(N[C@@H]1CCNC[C@H]1CO)c1cc(O)c(O)c(O)c1 2188920634 XBDRSONARBUGRC-DTWKUNHWSA-N 282.296 -0.496 10 10 CBCE CC1(C)CN[C@@H](CNC(=O)c2cc(O)nc(O)c2)CO1 2194650379 NMMNKMIBCCCCEX-VIFPVBQESA-N 281.312 -0.010 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H](O)CN1 2279260419 DPMLBLFOBGAPTL-MNOVXSKESA-N 280.324 -0.131 10 10 CBCE NC[C@H](O)c1nnc(-c2cc(O)c(O)c(O)c2)o1 83394537 ZATCHOIUDYCNFP-ZETCQYMHSA-N 253.214 -0.155 10 10 CBCE COc1cccc([C@@H](N)C(=O)NCCCO)c1O 83398278 BEXZRULEPWTCIR-SNVBAGLBSA-N 254.286 -0.101 10 10 CBCE O=C(N[C@@H]1COC[C@H]1C(=O)O)c1cccc(O)c1O 126054107 GVEWRUPFQKOTFZ-HTQZYQBOSA-N 267.237 -0.073 10 10 CBCE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc(N)cc1 707234618 HJOKCIXJNJBHBB-VXGBXAGGSA-N 278.308 -0.054 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@H](C(N)=O)C3)cc21 723177445 TUJHNTYYUQEEOD-UFBFGSQYSA-N 274.324 -0.026 10 10 CBCE COc1ccc(O)c([C@H](C)NC(=O)Cn2nnc(N)n2)c1 1445972521 YQTOJRVQDLBJCG-ZETCQYMHSA-N 292.299 -0.153 10 10 CBCE NC[C@H]1CN(C(=O)COc2ccc(N)cc2)CCO1 1876439408 JNKIGWZBZVHLNQ-LBPRGKRZSA-N 265.313 -0.166 10 10 CBCE O=S1(=O)C[C@@H](c2cccc(O)c2O)NCCN1 1952446313 AYSICJZCCATPOU-QMMMGPOBSA-N 258.299 -0.339 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C(CO)[C@@H]2C1 2030267732 DIHYEVNMNFYVRC-HTQZYQBOSA-N 250.254 -0.197 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 2144027315 WHVMITRDHXSWSH-ZDUSSCGKSA-N 280.280 -0.911 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@H]1[C@@H](O)CO 2146323178 IWVGQEHREAJYFM-ONGXEEELSA-N 283.280 -0.708 10 10 CBCE O=C1NC[C@H]2CCCN(C(=O)c3cc(O)nc(O)c3)[C@H]12 2279214235 YRTPHSWAFCJHPP-HQJQHLMTSA-N 277.280 -0.157 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2[C@H](C1)CS2(=O)=O 2336350178 QKIYQFZFBYJPGP-GMSGAONNSA-N 283.305 -0.033 10 10 CBCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1nnn[nH]1 106361101 NCKSVFJFEPMPQU-SOFGYWHQSA-N 299.250 -0.222 10 10 CBCE CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(N)cc1 159360044 YVYFDFOMKGBENB-LBPRGKRZSA-N 292.339 -0.346 10 10 CBCE C[C@H](O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 386885149 JCOHEERSFIPOBU-WEDXCCLWSA-N 268.313 -0.147 10 10 CBCE C[C@@H](NC(C(N)=O)C(N)=O)c1cc(O)ccc1O 695338669 BNGUPGGIOZHFNL-RXMQYKEDSA-N 253.258 -0.912 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)ccc1O 895367932 KCKRYTXRMYFMKW-ZJUUUORDSA-N 254.261 -0.048 10 10 CBCE CCN(C(=O)c1cccc(O)c1O)[C@@H]1CC(=O)NC1=O 1963705576 GTSPQMPMCPXHRV-MRVPVSSYSA-N 278.264 -0.025 10 10 CBCE N[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2027475287 QYXCJGRWUROLPJ-SSDOTTSWSA-N 254.242 -0.832 10 10 CBCE O=C(N[C@@H]1COC[C@H]1CO)c1ccc(O)c(O)c1 2029858614 VDNCGJGGLMFGJP-RKDXNWHRSA-N 253.254 -0.165 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccccc2O)[C@@H](O)[C@H]1O 2057791111 JPSWLGZFJBLODH-XRRVDJEJSA-N 253.298 -0.416 10 10 CBCE NC1(C(=O)O)CC(NC(=O)c2ccc(O)c(O)c2)C1 2094870025 OZBKGFGTDZFKGC-UHFFFAOYSA-N 266.253 -0.228 10 10 CBCE CN(C)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@H]1O 2146159440 UTPTXDNJFSEXKW-JHJVBQTASA-N 277.324 -0.217 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@@H]1[C@@H](O)CO 2146323176 IWVGQEHREAJYFM-KOLCDFICSA-N 283.280 -0.708 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@@H]1C(=O)O 2157503160 KDXOCIVOWIGMCJ-XHNCKOQMSA-N 280.280 -0.443 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@]1(CO)CCCN1 2168648556 WCVULUZCSQUYTA-AWEZNQCLSA-N 280.324 -0.129 10 10 CBCE C[C@H](N)c1cc(F)c(N(CC(N)=O)CC(N)=O)c(F)c1 2194699266 GDGFQJWPYOQENA-LURJTMIESA-N 286.282 -0.239 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1CCc1ccc(N)cc1 2225701613 LPRVTMMXYUDHRZ-MGPQQGTHSA-N 266.341 -0.136 10 10 CBCE CCN1C(=O)C(=CNCCCOC)C(=O)NC1=S 2296154596 OLWPFLIQFIYQGV-UHFFFAOYSA-N 271.342 -0.240 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311702697 BNCMSSBVQCCQQL-KNDHEWATSA-N 253.298 -0.357 10 10 CBCE Nc1ccc(OCCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 63130484 FRKYCKVEUOJUGA-UHFFFAOYSA-N 290.279 -0.546 10 10 CBCE CC(=O)C(=O)COC(=O)CN1CCN(C2CC2)C1=O 850189103 KLTIYNOYXFYCGO-UHFFFAOYSA-N 268.269 -0.412 10 10 CBCE O=C(NCc1c(O)cccc1O)[C@@H]1CCS(=O)(=O)N1 1558535600 KURFNWLPWNIQAJ-QMMMGPOBSA-N 286.309 -0.594 10 10 CBCE C[C@H](O)[C@@H](CO)NC(=O)CCOc1ccc(N)cc1 2117477009 AGLQGXSZQVCCDG-JOYOIKCWSA-N 268.313 -0.104 10 10 CBCE Cn1nnnc1CCNC(=O)Cc1ccc(N)cc1 2119297365 HBKYDALIUZDEMW-UHFFFAOYSA-N 260.301 -0.306 10 10 CBCE C[C@H](CS(C)(=O)=O)NC(=O)c1cc(O)c(O)c(O)c1 2132348377 KELJUMSBUOCOOD-ZCFIWIBFSA-N 289.309 -0.034 10 10 CBCE O=C(N[C@@]1(CO)CCNC1)c1cc(O)c(O)c(O)c1 2133569335 IZOVYKAMRYLGJF-LBPRGKRZSA-N 268.269 -0.742 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)[C@H](O)[C@H]1CF 2140658000 KFAATIUUPQSYJQ-POZPLHJXSA-N 271.244 -0.387 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H](O)[C@@H](O)C3)cc21 2188641905 YTJOTFBJNSBAPX-FRRDWIJNSA-N 277.324 -0.405 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H](O)[C@H](O)C3)cc21 2188641908 YTJOTFBJNSBAPX-YNEHKIRRSA-N 277.324 -0.405 10 10 CBCE N[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CO 2188924912 RPEHTJRDNQESLQ-IUCAKERBSA-N 282.296 -0.415 10 10 CBCE COC(=O)[C@H](N)CCNC(=O)COc1ccc(N)cc1 2191760807 KCKPUGFVWUZNAL-LLVKDONJSA-N 281.312 -0.346 10 10 CBCE O=C(N[C@@H]1CO[C@@]2(CCNC2)C1)c1cc(O)nc(O)c1 2201748200 XNCLJHKFMYZKSO-ZANVPECISA-N 279.296 -0.256 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCC1(O)CC1 2235396091 NMPIVYBDAUXXEW-JTQLQIEISA-N 280.324 -0.001 10 10 CBCE N[C@@H]1C[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CO[C@@H]1C2 2312788938 OWODXJXWHMBFRC-TXJJIOBDSA-N 252.314 -0.242 10 10 CBCE Oc1c(F)cc(F)cc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2329643479 SNWRISYNRDUZDG-SPFNVWMYSA-N 275.251 -0.385 10 10 CBCE NC(=O)OCCNS(=O)(=O)Cc1ccc(N)cc1 135152100 PDZYMQUKJANEGK-UHFFFAOYSA-N 273.314 -0.217 10 10 CBCE NC(=O)COCCNC(=O)c1ccc(O)c(O)c1 227039972 IHUWAEYXTKMEEN-UHFFFAOYSA-N 254.242 -0.671 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)Cn1nc(O)ccc1=O 1912173458 MYHPNUIHMSYSFL-UHFFFAOYSA-N 252.234 -0.282 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@@H](O)C1 2068406577 MPOJDPWBBITZAZ-YUMQZZPRSA-N 254.242 -0.940 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2[C@H]3CNC[C@H]23)cc1 2071667045 FISDIPHQTPYBNQ-QWRGUYRKSA-N 267.354 -0.094 10 10 CBCE CS(=O)(=O)CNC(=O)NCc1cc(N)ccc1O 2082900913 LVPUFGBKMOJQFI-UHFFFAOYSA-N 273.314 -0.224 10 10 CBCE O=C(N[C@@H]1CCNC[C@H]1O)c1cc(O)c(O)c(O)c1 2132349124 ZBGPEKFWOCCMIM-GMSGAONNSA-N 268.269 -0.744 10 10 CBCE O[C@H]1[C@H](O)COC12CN(c1ccc3c(c1)CC[C@H]3O)C2 2184738118 PSEGFHVYDUSQHU-MCIONIFRSA-N 277.320 -0.023 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2COC[C@@H]12)c1cc(O)c(O)c(O)c1 2188916008 MKVWBZLDEUHIAC-VAOFZXAKSA-N 281.264 -0.053 10 10 CBCE NC[C@H]1C[C@H](O)CN1C(=O)CCOc1ccc(N)cc1 2191886474 AMVANLGVTRIXHR-NEPJUHHUSA-N 279.340 -0.042 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(OC)c1 2235128863 HVEXZBRMYCTNKG-KGLIPLIRSA-N 283.324 -0.002 10 10 CBCE N[C@@H]1C[C@@]2(NC(=O)c3cc(O)nc(O)c3)CO[C@H]1C2 2266456106 RIGNITONFLRCEL-LWINAJNOSA-N 265.269 -0.519 10 10 CBCE COc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1CN 2333188053 SRLBEJBOEJNXLM-WZRBSPASSA-N 268.313 -0.943 10 10 CBCE C[C@@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cc(O)ccc1O 2355673277 AHLHRHFKFDBDBP-IMWABMGISA-N 283.324 -0.149 10 10 CBCE Nc1cc2c(cc1N1CCCNC(=O)C1)NC(=O)CO2 87884246 VWQPSTDHLKBCIW-UHFFFAOYSA-N 276.296 -0.074 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCOC[C@@H]1CO 168093799 SRXGCXBCAXQSOG-QWRGUYRKSA-N 296.323 -0.813 10 10 CBCE Nc1ccc(NC(=O)CN2CCS2(=O)=O)cc1 395562177 JEQARXDQIVCGPA-UHFFFAOYSA-N 255.299 -0.147 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCO[C@H]2CNC[C@H]21 686540703 HGDXEXXPOSKMMR-SKDRFNHKSA-N 264.281 -0.089 10 10 CBCE COC1(CNC(=O)COc2ccc(N)cc2)CNC1 1876438594 YJODDMNSPOMGAU-UHFFFAOYSA-N 265.313 -0.248 10 10 CBCE C[C@H](NCCNS(N)(=O)=O)c1ccccc1O 1995950132 QXTRSVWWYCUHSK-QMMMGPOBSA-N 259.331 -0.164 10 10 CBCE Cc1cccc(CNCCNS(N)(=O)=O)c1O 1995951070 AWDFTYSEHYOCNC-UHFFFAOYSA-N 259.331 -0.417 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2063741380 XBNVJLMQJFBFRN-NWDGAFQWSA-N 250.298 -0.544 10 10 CBCE C[C@H](NC(=O)[C@H](N)CC(N)=O)c1ccccc1O 2072481456 HNXYIVGZHWRZMM-IONNQARKSA-N 251.286 -0.228 10 10 CBCE O=C(N[C@H](C(=O)O)C1COC1)c1cc(O)nc(O)c1 2104892959 SOKDBCZLCOHLJH-VIFPVBQESA-N 268.225 -0.678 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@H](O)C3)ccc2[C@@H]1O 2126909692 AOLONYVYWJHUSM-AUTRQRHGSA-N 264.281 -0.396 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@H](O)[C@@H]1CF 2140658947 QGRBRONZVJSZKU-MHYGZLNHSA-N 272.232 -0.992 10 10 CBCE COC1(C(N)=O)CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2161183085 FCQFLPRTLGWMAD-SNVBAGLBSA-N 277.280 -0.637 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2166419609 RUSFOCNRPGCDQC-OUTAMTDBSA-N 277.324 -0.090 10 10 CBCE O=C1NCC2(CN(c3ccc([N+](=O)[O-])c(CO)c3)C2)N1 2177668664 NVUQTRCXDZSQDD-UHFFFAOYSA-N 278.268 -0.041 10 10 CBCE COC[C@H]1C[C@H](CN)N(C(=O)c2cc(O)nc(O)c2)C1 2289496584 OXYFXMQRLCJZQQ-WCBMZHEXSA-N 281.312 -0.071 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2OCC[C@@]2(CO)C1 2296352085 COXAVPPJEULVNB-ZANVPECISA-N 280.280 -0.284 10 10 CBCE C[C@H](CN(CC(N)=O)Cc1ccc(N)cc1)C(N)=O 35366652 QSRCDLJJDPVNRP-SECBINFHSA-N 264.329 -0.323 10 10 CBCE NCc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(F)c1F 382038105 TUIOOFGLOKMDDM-LBPRGKRZSA-N 271.267 -0.150 10 10 CBCE CN(C)S(=O)(=O)N1CCN(CCN=[N+]=[N-])CC1 696208256 JSZDLDKTKMGVIM-UHFFFAOYSA-N 262.339 -0.279 10 10 CBCE CN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(=O)N1 1546164840 WVBFNNHTCUZDCN-VIFPVBQESA-N 290.283 -0.076 10 10 CBCE NCCCONS(=O)(=O)CCOc1ccc(N)cc1 1876463979 XLQNPBJPHAMSFH-UHFFFAOYSA-N 289.357 -0.153 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCNC2=O)cc1 1887178712 ACJVJGMOVFCTTG-SNVBAGLBSA-N 283.353 -0.176 10 10 CBCE COc1cccc([C@H]2CS(=O)(=O)NCCN2)c1O 1952453796 FLFHSEJHIQUYOQ-SECBINFHSA-N 272.326 -0.036 10 10 CBCE CN(C(=O)CN1C[C@H](O)CO1)c1ccc(N)cc1 2052292762 QXFGWKXWGRFBMU-NSHDSACASA-N 251.286 -0.160 10 10 CBCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cn2c(n1)COCC2 2109869705 WAVRYQKANHIMNU-VIFPVBQESA-N 265.277 -0.160 10 10 CBCE OC[C@@H]1C[C@H](NCc2c(O)cccc2F)[C@H](O)[C@@H]1O 2121477217 ZZYAQKIOJFBMLV-SWMFJSFKSA-N 271.288 -0.277 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@H](O)C1 2132348027 CFXAXVXJCDNTKZ-MRVPVSSYSA-N 269.253 -0.363 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2144024662 CENJXFROTGITDO-ZLCVWYCYSA-N 278.308 -0.129 10 10 CBCE Nc1cc2c(cc1N1CCC1(CO)CO)NC(=O)CO2 2194350807 ALWRJUYNXYXIKP-UHFFFAOYSA-N 279.296 -0.467 10 10 CBCE C[C@H](NC(=O)[C@@]1(O)CCNC[C@@H]1O)c1ccccc1O 2197488091 JSDOZSMWFNRXEN-DUFXMDAXSA-N 280.324 -0.345 10 10 CBCE C[C@@H](CNC(=O)c1cc(O)nc(O)c1)[C@@]1(O)CCNC1 2238427616 XQBGFIYUETYMND-ISVAXAHUSA-N 281.312 -0.417 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311710898 ZMMDXDJTTIVVDR-KNDHEWATSA-N 252.314 -0.391 10 10 CBCE COc1cc(N2CC([C@@H](O)CO)C2)ccc1CN 2315273496 XOAYAVVEAPGQFF-LBPRGKRZSA-N 252.314 -0.057 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2[C@H](C1)CS2(=O)=O 2336339153 WQUSQPLSGCOCAX-LDYMZIIASA-N 283.305 -0.033 10 10 CBCE NC(=O)CN(C(=O)c1cccc(O)c1O)[C@@H]1CCNC1 126097940 BFZKYIONYXXUIF-MRVPVSSYSA-N 279.296 -0.613 10 10 CBCE C[C@H](C(N)=O)N(C)C(=O)COc1ccc(N)cc1 711160828 LVMLRQYLESTVOK-MRVPVSSYSA-N 251.286 -0.020 10 10 CBCE O=C(CO)NCCC(=O)NCc1ccccc1O 907057762 WRQHDLVXSAXVKM-UHFFFAOYSA-N 252.270 -0.493 10 10 CBCE NC(=O)NC1(C(=O)NCc2ccc(O)cc2O)CC1 1630302281 WIAWNCKTZZWSJU-UHFFFAOYSA-N 265.269 -0.085 10 10 CBCE CN1[C@@H](CNC(=O)Cc2ccc(N)cc2)CCS1(=O)=O 1967091342 BTNFOMHFACWRRG-GFCCVEGCSA-N 297.380 -0.039 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](CO)C2)ccc1CN 2084016465 JNTZHJLEYIRBEL-PWSUYJOCSA-N 252.314 -0.057 10 10 CBCE N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1 2096480950 PRHJHINGGGRARU-WCABBAIRSA-N 266.297 -0.074 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOCC12CNC2 2111334874 YWCSMTNZJWLPKL-UHFFFAOYSA-N 265.269 -0.693 10 10 CBCE Cc1cccc(O)c1CN1C[C@H](O)[C@@H](O)[C@H]1C(=O)O 2136103952 UPCOINPILUQOOD-SDDRHHMPSA-N 267.281 -0.309 10 10 CBCE N[C@@H]1CC(C(=O)N2CCCc3nnc(O)cc32)=C[C@@H]1O 2206095361 HDJKQDNFJDPCIZ-KCJUWKMLSA-N 276.296 -0.520 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)C2CN(C3CNC3)C2)C1 2256819026 SZUZQVOSSXIOQR-CZMCAQCFSA-N 251.330 -0.844 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2C[C@@H]3OCC[C@@H]3N2)C1 2309419647 URAQGKQRRAOXLS-GBVMLCMLSA-N 252.314 -0.229 10 10 CBCE Nc1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1 130602127 KWVGFBZYEGKODE-CYBMUJFWSA-N 251.330 -0.256 10 10 CBCE COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 168956270 VRFWCZZBPNORGZ-JGVFFNPUSA-N 282.252 -0.759 10 10 CBCE COC[C@H](CCO)NC(=O)c1cc(O)nc(O)c1 228168215 YXRKHGPHHIOAEE-QMMMGPOBSA-N 256.258 -0.380 10 10 CBCE COC[C@@](C)(NC(=O)c1cc(O)nc(O)c1)C(=O)O 380943386 BUNQKNRMATWBDL-LLVKDONJSA-N 270.241 -0.288 10 10 CBCE O=C1C[C@@H](CNC(=O)c2cccc(O)c2O)CN1 398282366 AJYVNHKHMIFFLX-SSDOTTSWSA-N 250.254 -0.036 10 10 CBCE C[C@H](NC(=O)CCOc1ccc(N)cc1)[C@H](O)CO 698979572 UZSGKRCYFVVAME-JOYOIKCWSA-N 268.313 -0.104 10 10 CBCE CN1CC[C@@](O)(CNC(=O)COc2ccc(N)cc2)C1 702588450 SPZMHFSBXGOWJF-CQSZACIVSA-N 279.340 -0.170 10 10 CBCE Cc1ccc(C(=O)NCc2nnnn2C)c(O)c1O 1154929028 LSTKAJQILHLZLP-UHFFFAOYSA-N 263.257 -0.140 10 10 CBCE CCN[C@@H]1COC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049785197 XENNVOOELYIWPN-GWOFURMSSA-N 254.330 -0.124 10 10 CBCE O=S1(=O)CCN(Cc2ccccc2O)C2(CNC2)C1 2127125573 JPDLMIYBFBXMDI-UHFFFAOYSA-N 282.365 -0.035 10 10 CBCE O=C(NC[C@@]1(F)CNCCOC1)c1cc(O)nc(O)c1 2182448012 KOXUVHVUQNSYBC-LBPRGKRZSA-N 285.275 -0.449 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@H](O)C3)c(F)cc2[C@H]1O 2183270112 ZANJKAMFQWJERJ-DJOAAKCGSA-N 282.271 -0.257 10 10 CBCE O=C(Nc1nnc(Cl)nn1)c1cc(O)nc(O)c1 2219012722 KOODOZBURUJWAM-UHFFFAOYSA-N 268.620 -0.022 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(CO)c1 2289482296 BQJLZGJILRSOQA-BPNCWPANSA-N 283.324 -0.662 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](O)[C@@H](O)[C@H]1C2 2355337396 CLMQLGHZQSYKNT-CIPNSKCISA-N 280.280 -0.551 10 10 CBCE NC(=O)CN(CC(=O)NC1CC1)Cc1ccc(N)cc1 35366600 AGEVICVAKRMVFY-UHFFFAOYSA-N 276.340 -0.165 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@H](O)[C@H](O)C2)cc1 227197647 QUVPMSQDAPEYBZ-TXEJJXNPSA-N 266.297 -0.398 10 10 CBCE NC(=O)C1(O)CCN(C(=O)Cc2ccc(N)cc2)CC1 312351858 XTZKDJQJVIWLDJ-UHFFFAOYSA-N 277.324 -0.350 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@H]1COC[C@H]1O 709330352 KJUVASOQEZDBGG-QJPTWQEYSA-N 263.297 -0.166 10 10 CBCE Nc1ccc(-n2nnc(C(=O)N3CCC(O)CC3)n2)cc1 1857878538 GKSYAZIGGFUILB-UHFFFAOYSA-N 288.311 -0.159 10 10 CBCE C[C@H](O)[C@@H](NC(=O)COc1ccc(N)cc1)C(=O)O 1860080300 BROBURREUBNXAE-WRWORJQWSA-N 268.269 -0.402 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N(C)[C@H]3CCNC3=O)cc21 1916805107 YWXLKTCZKZJCSH-JQWIXIFHSA-N 274.324 -0.013 10 10 CBCE C[C@H](O)[C@H](CO)NC(=O)COc1ccc(N)cc1 2053797577 KQNBCRRNVCJHKE-KWQFWETISA-N 254.286 -0.495 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2080924725 DMPVYWPIRUHFFR-SRVKXCTJSA-N 257.261 -0.779 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2081008074 DYTSCFGDCUQNMI-WOPDTQHZSA-N 272.732 -0.299 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)cc1 2108798724 DTVWPULZGDKRNE-YUSALJHKSA-N 266.297 -0.352 10 10 CBCE C[C@@H](O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2125476068 JWBCEVVKCOHCFJ-SVRRBLITSA-N 269.253 -0.410 10 10 CBCE COC[C@H](N)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132410104 KKECEOOVJVRCJT-MRVPVSSYSA-N 270.285 -0.151 10 10 CBCE COCC[C@H]1CNCCN1C(=O)c1cc(O)nc(O)c1 2144576221 OVDXNGFPWUAPJL-JTQLQIEISA-N 281.312 -0.057 10 10 CBCE O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)c3cc(O)nc(O)c3)[C@@H]21 2149279090 DOQSETWCTLGCQL-AEJSXWLSSA-N 280.236 -0.583 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC(CO)(C(=O)O)C1 2170808479 OXBALSFEBCIOPM-UHFFFAOYSA-N 281.264 -0.454 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@]2(O)CCNC2)cc1 2191754977 ATQOTRPQSNUPOQ-AWEZNQCLSA-N 279.340 -0.122 10 10 CBCE Nc1ccc(OCCC(=O)N[C@]2(CO)CCNC2)cc1 2191896901 IIFZZGSEIPDHIT-CQSZACIVSA-N 279.340 -0.122 10 10 CBCE Cc1cc(CO)ccc1N1CC[C@@](O)(CO)[C@H](O)C1 2225730047 ZCZFXEPYCGUQDJ-ZIAGYGMSSA-N 267.325 -0.218 10 10 CBCE NC(=O)C[C@@H]1CNCCN1Cc1ccc(O)c(O)c1 2343348001 BCCUCMNUEGQFDO-SNVBAGLBSA-N 265.313 -0.253 10 10 CBCE CN(C)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40457812 YFDHXNCPLYIEJJ-JTQLQIEISA-N 267.329 -0.355 10 10 CBCE COC(=O)[C@@H](CO)NC(=O)CCc1ccc(N)cc1 707230681 SRHYHNILZMTLIC-LLVKDONJSA-N 266.297 -0.149 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@@H]3COC[C@@H]3O)cc21 709222970 MSKYOAHXDGQYBX-FRRDWIJNSA-N 277.324 -0.141 10 10 CBCE COC[C@](C)(CO)NC(=O)c1cc(O)nc(O)c1 716818236 KJYDMEYGFQEGLR-NSHDSACASA-N 256.258 -0.380 10 10 CBCE CC(=O)C(=O)CSc1nnc(-c2cc(C)[nH]n2)n1N 808025513 NBLROXHINJWSHU-UHFFFAOYSA-N 280.313 -0.059 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCS(=O)(=O)CC1 1148582206 FQTLJXRUYBPBRU-UHFFFAOYSA-N 287.293 -0.326 10 10 CBCE COc1ccc(CN[C@@H](CO)CNC(=O)C(N)=O)cc1C 1725538977 FKUROEMDBKHXLH-LLVKDONJSA-N 295.339 -0.944 10 10 CBCE O=C(NCc1nnc(CO)s1)c1cc(O)nc(O)c1 1877546681 VXERIFVOJKRQRN-UHFFFAOYSA-N 282.281 -0.233 10 10 CBCE NC[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@H]1CCOC1 2049784441 LSTVWGPXLQMSIJ-XWLWVQCSSA-N 254.330 -0.137 10 10 CBCE OC[C@@H]1C[C@H](NCc2c(O)cccc2F)[C@@H](O)[C@@H]1O 2121477214 ZZYAQKIOJFBMLV-AXVUBJCFSA-N 271.288 -0.277 10 10 CBCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1CO 2122389424 DTZHLLMJIVHUQN-WCBMZHEXSA-N 266.297 -0.121 10 10 CBCE O[C@H]1[C@H](O)C[C@H](NCc2ccc3c(c2)CCCO3)[C@H]1O 2165122401 MHYDCDZSXJOTTF-MXYBEHONSA-N 279.336 -0.044 10 10 CBCE O=C1NC2(CO1)CN(C(=O)c1cc(O)nc(O)c1)C2 2351874079 GGIDLWVHSWKVAX-UHFFFAOYSA-N 265.225 -0.573 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@@H]4COC[C@@H]43)ccc21 2354369385 ONPWKJKXOGRBAE-MGAJPHDKSA-N 275.308 -0.166 10 10 CBCE NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccc(N)cc1 37824573 IKEKKASBKDVUMU-QWRGUYRKSA-N 263.297 -0.742 10 10 CBCE Cc1ccc(O)c([C@@H](N)C(=O)NC[C@@H](O)CO)c1 83398397 JXMLLQPROMTPRM-LDYMZIIASA-N 254.286 -0.830 10 10 CBCE COc1ccc(O)c(CN2CCNC[C@H]2C(N)=O)c1 88659250 YTTPQMPKKXOLAA-NSHDSACASA-N 265.313 -0.340 10 10 CBCE COCCN=c1[nH]c(Cc2ccc(N)cc2)nc(=N)[nH]1 383724262 VWFGYEATZJTLDW-UHFFFAOYSA-N 274.328 -0.063 10 10 CBCE NC(=O)[C@@H]1COCCN1c1ccc2c(c1)NC(=O)[C@H]2N 723202089 RHFIRLVKALHGSY-QWRGUYRKSA-N 276.296 -0.671 10 10 CBCE CC(=O)C(=O)COC(=O)C(=O)N1CCC[C@@H](C)C1 808548102 XBCCHHCSJJBIGZ-MRVPVSSYSA-N 255.270 -0.054 10 10 CBCE COc1cccc(CNC(=O)C2(O)COC2)c1O 1622779246 LSAHQPXLPKCXGM-UHFFFAOYSA-N 253.254 -0.222 10 10 CBCE CC[C@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857879037 SBXSKLFVTVJEQC-VIFPVBQESA-N 290.283 -0.163 10 10 CBCE COC1(CNS(=O)(=O)Cc2ccc(N)cc2)CNC1 1876416359 VRSYODCNFLYCGC-UHFFFAOYSA-N 285.369 -0.323 10 10 CBCE Nc1cc(O)ccc1NS(=O)(=O)c1nc[nH]n1 2009237608 RMGQWPIFHJUJCO-UHFFFAOYSA-N 255.259 -0.107 10 10 CBCE Cn1nnc(=NC(=O)c2cc(O)c(O)c(O)c2)[nH]1 2068577942 PYTVOKCMMJUJPD-UHFFFAOYSA-N 251.202 -0.999 10 10 CBCE COC[C@@](O)(CO)CNCc1cc2c(cc1O)OCO2 2158618936 QPHNIGUQLPZARW-ZDUSSCGKSA-N 285.296 -0.420 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H]3NC(=O)O[C@@H]3C2)cc1 2176928612 UFCUTGONMORWRG-WDEREUQCSA-N 276.296 0.000 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC4(CNC(=O)N4)C3)ccc21 2177690841 CAPVWNRQKVDYFJ-JTQLQIEISA-N 273.296 -0.490 10 10 CBCE Nc1ccc(OCCC(=O)NC2(CCO)CNC2)cc1 2191757925 MVWONSIROQBBQD-UHFFFAOYSA-N 279.340 -0.122 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2COC)cc1 2225702981 UCPPYFPBHFIRPK-HZSPNIEDSA-N 266.341 -0.037 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2271171751 YJVLLLLOUVTFIN-WOPDTQHZSA-N 286.353 -0.164 10 10 CBCE CN(CC1(O)CNC1)c1cc2c(cc1N)NC(=O)CC2 2287299197 BHNCTIBWBZGNGK-UHFFFAOYSA-N 276.340 -0.076 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(CO)c1 2289482297 BQJLZGJILRSOQA-DDTOSNHZSA-N 283.324 -0.662 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H](O)C1CC1 71308260 FINAEFHEHAIGHW-GWCFXTLKSA-N 280.324 -0.145 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 89751168 FHDBNGHXPFQABI-SNVBAGLBSA-N 277.280 -0.431 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@](O)(C(=O)O)C1 386789241 MRJOSGBPTQRGQH-GFCCVEGCSA-N 267.237 -0.241 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NCc2cnn[nH]2)cc1 398364598 ZCFGPEUKLYFZMH-UHFFFAOYSA-N 297.340 -0.115 10 10 CBCE NCC1(NC(=O)c2cc(O)c(O)c(O)c2)COC1 1148589728 IZWPDHYSDPUAIT-UHFFFAOYSA-N 254.242 -0.739 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@H]1NCCNC1=O 1877518529 VQURDPQCBORPMC-NSHDSACASA-N 263.297 -0.561 10 10 CBCE O=S1(=O)C[C@@H](c2c(O)cc(O)cc2O)NCCN1 1952456900 OGMFJLZMOFOMEA-ZETCQYMHSA-N 274.298 -0.633 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]1[C@@H](O)CO 2123157973 OLHBSHVNMZNHCM-BDAKNGLRSA-N 268.269 -0.549 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1 2166791551 UFTYDYKGAFQUCP-IEBDPFPHSA-N 275.308 -0.248 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4O)C[C@H]21 2201278117 LCHUXARBMAYIGK-RBLKWDMZSA-N 273.292 -0.160 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)Nc1ccc(N)cc1 2233874568 XTEOAXWLHIPXAT-IJLUTSLNSA-N 281.312 -0.147 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)OC(F)(F)O2 2235075648 GVQIPQYDJVPQFD-SOCHQFKDSA-N 289.234 -0.089 10 10 CBCE CC(=O)N[C@H](CCC(N)=O)C(=O)N(C)CCCN=[N+]=[N-] 2236148656 WOWSPNGJZAEUIN-SECBINFHSA-N 284.320 -0.085 10 10 CBCE CO[C@H](CO)CNC(=O)c1cc(O)c(O)c(O)c1 2263522273 DNPFAECVZQCHKO-ZETCQYMHSA-N 257.242 -0.460 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1CN 2311710254 GADQZWYVFGWBQN-XQQFMLRXSA-N 252.314 -0.644 10 10 CBCE CCN(CCN=[N+]=[N-])C(=O)CNS(=O)(=O)N(C)C 2315987802 AEKCBHQDINXLES-UHFFFAOYSA-N 278.338 -0.459 10 10 CBCE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](n2cnc3c(N)ncnc32)O[C@H]1CO 39003282 HTWSTKVLFZRAPM-CIXYTLPCSA-N 292.259 -0.662 10 10 CBCE Cn1c(=O)n(C)c2cc(C(=O)C(=O)C(=O)O)ccc21 76352274 YFPHBRGPVMLDMV-UHFFFAOYSA-N 262.221 -0.287 10 10 CBCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cn(CCO)nn1 90637908 LRCWIGSIUQXCHT-MRVPVSSYSA-N 269.265 -0.616 10 10 CBCE O=C(N[C@H]1COC[C@@H]1C(=O)O)c1cccc(O)c1O 126053845 GVEWRUPFQKOTFZ-YUMQZZPRSA-N 267.237 -0.073 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCOC[C@@H]3CO)cc21 168243837 RXBZENNTJVVARG-GWCFXTLKSA-N 277.324 -0.140 10 10 CBCE O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1ccccc1O 228423838 GZPAGYKHIKDMNP-LLVKDONJSA-N 298.364 -0.215 10 10 CBCE CN1CCN(CC(=O)Nc2ccc(N)cc2)C[C@H]1CO 687599018 CKYQIOQJUVMBIR-ZDUSSCGKSA-N 278.356 -0.184 10 10 CBCE NC(=O)C1(NC(=O)c2cccc(O)c2O)CCNCC1 1922630590 PKHVFUSAKQCLKC-UHFFFAOYSA-N 279.296 -0.565 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H](C1)N2 2068617148 GYJWVGMHYBEIEB-OCAPTIKFSA-N 250.254 -0.010 10 10 CBCE COC(=O)c1cccc(N)c1N[C@@H]1CNC[C@@H]1O 2071719992 VSPSSDOTRZEYFM-ZJUUUORDSA-N 251.286 -0.200 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC(CO)(CO)C1 2132349031 XEKOKCRHJJIAHA-UHFFFAOYSA-N 269.253 -0.770 10 10 CBCE CO[C@@H]1CNC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132412518 FDVWDWIMUHSETM-GMSGAONNSA-N 268.269 -0.480 10 10 CBCE CC[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2136336491 MJSNEZJRAXDPSY-RFGFWPKPSA-N 266.341 -0.001 10 10 CBCE NCc1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)c(F)c1 2166790149 COVMSXIAQKNPPG-NXEZZACHSA-N 278.287 -0.912 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)cc1 2166791504 TWLJHFXZTASZGV-UWJYBYFXSA-N 274.324 -0.491 10 10 CBCE C[C@H](N)c1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1O 2183627583 RTUQMYODJJJGDK-AQUOVQTQSA-N 280.324 -0.277 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2COC[C@@H](C1)[C@@H]2O 2189043611 RRMCWYLDTMYSLE-GDGBQDQQSA-N 280.280 -0.428 10 10 CBCE NC[C@@H]1C[C@H](O)CN1c1cc2c(cc1N)OCC(=O)N2 2191794969 GHQJKRGGFANIBB-YUMQZZPRSA-N 278.312 -0.502 10 10 CBCE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1c(N)cccc1C(=O)O 2192675884 JIFJDHKNJFIHJC-NXEZZACHSA-N 299.352 -0.236 10 10 CBCE C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)NCCO 83398267 ZKMBTIQVLKYDDE-LBPRGKRZSA-N 254.286 -0.534 10 10 CBCE COC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 158716394 KIRAYVCJNVPIST-IUCAKERBSA-N 298.295 -0.817 10 10 CBCE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 234564829 AXXGRLLMDKUTEB-RKDXNWHRSA-N 281.264 -0.154 10 10 CBCE NC/C=C/C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 312980871 QSXXNUNMCLXHKG-VWCDRPFISA-N 280.280 -0.275 10 10 CBCE CC(=O)C(=O)COC(=O)CN(C)c1ncccn1 808501943 SCPGJIPMEPBBFE-UHFFFAOYSA-N 251.242 -0.386 10 10 CBCE O=C(NC[C@]1(CO)CCCO1)c1cc(O)nc(O)c1 1879594606 DARZNLHQZSJMGA-LBPRGKRZSA-N 268.269 -0.236 10 10 CBCE O=S1(=O)C[C@H](c2c(O)cccc2O)NCCN1 1952451098 PCDDSCQQFZPJAT-SSDOTTSWSA-N 258.299 -0.339 10 10 CBCE COC1CN(S(=O)(=O)NCc2ccc(N)cc2)C1 2043675119 DCLJQHRUDOTAEW-UHFFFAOYSA-N 271.342 -0.066 10 10 CBCE OC[C@@H](O)CCNCc1cc2c(cc1O)OCO2 2061855434 XSCSZXKDRABJAE-VIFPVBQESA-N 255.270 -0.046 10 10 CBCE C[C@H](O)[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2068576517 JJCUZWUWHGSGLI-CAHLUQPWSA-N 257.242 -0.725 10 10 CBCE O=C(N[C@]1(CO)CCNC1)c1cccc(O)c1O 2069740450 JFAMHRTTWHJAHC-GFCCVEGCSA-N 252.270 -0.448 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCONC2)cc1 2071693926 CYOARPHXMTZVRS-LLVKDONJSA-N 271.342 -0.018 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC1(CO)CO 2073922083 SFNKYOLAQBSGKQ-UHFFFAOYSA-N 254.242 -0.938 10 10 CBCE N[C@@H]1COCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132419558 UMRJOFQEUNPOKP-QMMMGPOBSA-N 268.269 -0.397 10 10 CBCE NCc1cc(F)c(N2CCOC[C@@H]2[C@H](O)CO)c(F)c1 2146328183 DJQDIQSJGFGLSJ-VXGBXAGGSA-N 288.294 -0.018 10 10 CBCE O=C(O)[C@H]1C[C@H](O)CCN1C(=O)c1cc(O)nc(O)c1 2177448183 RLHWQQNVNWTXHH-HTQZYQBOSA-N 282.252 -0.457 10 10 CBCE CN1C(=O)NCC12CN(C(=O)c1ccc(O)c(O)c1)C2 2177672251 BITNLELKKQGDAC-UHFFFAOYSA-N 277.280 -0.053 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c([N+](=O)[O-])c1 2200878898 ZGYJLEWRJUJTBZ-WOPDTQHZSA-N 284.268 -0.494 10 10 CBCE N=c1nnc(OCC2(C(F)F)CCNCC2)n[nH]1 2261198336 DWIXAONFHSSXTD-UHFFFAOYSA-N 260.248 -0.307 10 10 CBCE CN(CC(N)=O)S(=O)(=O)CCOc1ccc(N)cc1 70544303 JOUKPESAAOYSME-UHFFFAOYSA-N 287.341 -0.606 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2CS(=O)(=O)C2)cc1 380203266 DQXWWVRFFJEOFB-UHFFFAOYSA-N 290.366 -0.515 10 10 CBCE COc1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c(N)c1 693373214 WPDTUWMYXDRSSS-IUCAKERBSA-N 278.312 -0.700 10 10 CBCE COCCN1CN(C(=O)Cc2ccc(O)c(O)c2)CC1=O 1625971187 PVFJIZYTFDAKSP-UHFFFAOYSA-N 294.307 -0.085 10 10 CBCE O=S1(=O)C[C@@H](Cc2ccc(O)c(O)c2)NCCN1 1952465054 HBWWPFQDVJSQCU-SECBINFHSA-N 272.326 -0.469 10 10 CBCE COC1(CNC(=O)c2ccc(O)c(O)c2)CNC1 2040149887 ODACCHIJKJWICQ-UHFFFAOYSA-N 252.270 -0.184 10 10 CBCE CNCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2127256820 DRQQVIPBLRBGQB-OLZOCXBDSA-N 264.325 -0.283 10 10 CBCE COC[C@@](C)(CO)NC(=O)c1cc(O)c(O)c(O)c1 2132349587 FJTKJQUEZOWQQU-GFCCVEGCSA-N 271.269 -0.069 10 10 CBCE COCC[C@@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2132409156 CFCOENWLGXLHBE-QMMMGPOBSA-N 270.285 -0.103 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@]2(CO)C[C@@]2(CO)C1 2146314221 QLIHLKJJMMRGQP-KBPBESRZSA-N 279.292 -0.085 10 10 CBCE O=C(NC[C@]1(O)C[C@H](C(=O)O)C1)c1cc(O)nc(O)c1 2179495526 STMIWFOQZSNOOK-HCJPZQEFSA-N 282.252 -0.552 10 10 CBCE C[C@@H](C(=O)O)N1CC(NC(=O)c2cc(O)nc(O)c2)C1 2188308538 QGNNIUDSDLTXHE-LURJTMIESA-N 281.268 -0.620 10 10 CBCE N[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1CO 2188925259 SYAYDKUDEUTCTL-CBAPKCEASA-N 282.296 -0.415 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)[C@H](O)CC1 2284583689 MPTVDQQSAZESGN-VXGBXAGGSA-N 281.308 -0.016 10 10 CBCE CSc1cc(N2CC(O)(C(N)=O)C2)ccc1CN 2328540718 TXPGUQPVABTVID-UHFFFAOYSA-N 267.354 -0.096 10 10 CBCE CN(C(=O)CS(=O)(=O)CC(N)=O)c1ccc(N)cc1 311377457 IZGUXBDPBRVHPK-UHFFFAOYSA-N 285.325 -0.868 10 10 CBCE NC(=O)[C@@]1(O)CCCN(Cc2cc(N)ccc2O)C1 311983242 OSVIGMUQSSJMOA-CYBMUJFWSA-N 265.313 -0.213 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@](O)(CO)C1 313624774 JHLLYFMISBKZLN-LBPRGKRZSA-N 268.269 -0.548 10 10 CBCE O=C1NC(=O)[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]12 388149141 KHIMJIIOAKHLDV-HTQZYQBOSA-N 276.248 -0.558 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@@H]3CO)c(F)cc2[C@H]1O 698135042 ACRGZXHONKEULU-NQYJQULFSA-N 282.271 -0.257 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N(C)[C@@H]3COC[C@@H]3O)cc21 708719484 GZLPMGGWRMTWMR-FRRDWIJNSA-N 278.308 -0.108 10 10 CBCE C[C@H](O)[C@H](O)CNC(=O)COc1ccc(N)cc1 717362967 BWBJIOLCFCREGB-GZMMTYOYSA-N 254.286 -0.495 10 10 CBCE COC(=O)CNC(=O)CNC(=O)Cc1ccc(O)c(O)c1 1156431943 MNTHRXNTBHVPEV-UHFFFAOYSA-N 296.279 -0.954 10 10 CBCE NC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 2060803351 CGWNKYRMJSAJOH-RKDXNWHRSA-N 252.270 -0.368 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC[C@@H]3C(N)=O)ccc21 2089365999 ONAMHEFNGDNNJU-GHMZBOCLSA-N 260.297 -0.037 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H]1CC(=O)N1 2092750186 YBNKQVNTODOXCX-LLVKDONJSA-N 262.313 -0.555 10 10 CBCE CN1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1=O 2132350127 KUIAQSUMKKGKCH-SSDOTTSWSA-N 266.253 -0.236 10 10 CBCE O=C(N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(O)c(O)c(O)c1 2188911918 GOFLQTYRHLPVOZ-MTBHXBHISA-N 299.304 -0.424 10 10 CBCE O=S1(=O)CC(O)(CNCc2ccccc2O)C1 2248074963 VPVAUWVWURSTBR-UHFFFAOYSA-N 257.311 -0.359 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@H](O)CCO)cc1 2351747838 MECAOLWYSVUGLF-NSHDSACASA-N 268.313 -0.103 10 10 CBCE C[C@H](OC(=O)COc1ccc(N)cc1)C(=O)NC(N)=O 41093735 VMFVKXYQVLOENX-ZETCQYMHSA-N 281.268 -0.226 10 10 CBCE Nc1ccc(CCC(=O)N[C@H](CO)C(=O)O)cc1 134693613 VOAPPDQNPBKHRA-SNVBAGLBSA-N 252.270 -0.237 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2CNC(=O)C2)cc1 398343761 FMLMRJPETRSQFL-SECBINFHSA-N 263.297 -0.100 10 10 CBCE O=C(c1c(F)ccc(O)c1O)N1C[C@@H](CO)[C@@H](CO)C1 1306888648 TYJPXSZTUUTRIM-OCAPTIKFSA-N 285.271 -0.090 10 10 CBCE Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC(N=[N+]=[N-])C1 1912162829 AUDLNDMHUKDEQI-UHFFFAOYSA-N 284.301 -0.193 10 10 CBCE O=S1(=O)CCN[C@@H](c2ccc(O)c(O)c2O)C1 1952600186 JZDLJIARDBXZAT-SSDOTTSWSA-N 259.283 -0.138 10 10 CBCE Nc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@@H]32)cc1 2071647716 FTDMHHRWZJOBKE-RYUDHWBXSA-N 267.354 -0.156 10 10 CBCE Nc1ccc(CCN2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2081015156 AQUVAYXANPTDHQ-RWMBFGLXSA-N 252.314 -0.790 10 10 CBCE N[C@]1(C(=O)O)C[C@@H](NC(=O)c2cccc(O)c2O)C1 2094870293 SYJAQMVVLRTGCJ-KEYALVSWSA-N 266.253 -0.228 10 10 CBCE Cn1cc([C@@H](N)C(=O)NCc2ccccc2O)nn1 2110400151 QEDREBFXLBXQSR-LLVKDONJSA-N 261.285 -0.163 10 10 CBCE O=C(NCCC(CO)CO)c1cc(O)c(O)c(O)c1 2132348574 OKKGIEMSGHTBCS-UHFFFAOYSA-N 271.269 -0.476 10 10 CBCE NCCC(CCN)NS(=O)(=O)Cc1ccc(N)cc1 2140761622 KLEIAKJTQLKEHV-UHFFFAOYSA-N 286.401 -0.246 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N(C)CC(CO)CO)ccc21 2150418146 HJBXBGCJPXIURD-CYBMUJFWSA-N 279.340 -0.064 10 10 CBCE NCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)c(Cl)c1 2166792005 ZLSRFXCUPKMBQX-AOOOYVTPSA-N 294.742 -0.398 10 10 CBCE O=C(N[C@H]1CO[C@@H]2COC[C@@H]21)c1cc(O)c(O)c(O)c1 2356975113 MKVWBZLDEUHIAC-VHSKPIJISA-N 281.264 -0.053 10 10 CBCE CN1CCN(C(=O)CN2C(=O)CSC2=S)CC1 82304178 WLBOUMRJKXXXLP-UHFFFAOYSA-N 273.383 -0.379 10 10 CBCE Nc1ccc(N2CCN(C[C@H](O)CO)C2=O)cc1 130746126 FYPQAHAQIUDBNJ-NSHDSACASA-N 251.286 -0.136 10 10 CBCE CC[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 379247746 CDUIITUCRZTBCS-JTQLQIEISA-N 271.342 -0.048 10 10 CBCE CC1(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)OCCO1 716358000 JMOIQRGJNGPMPG-JTQLQIEISA-N 296.323 -0.153 10 10 CBCE CC(C)C(=O)N[C@@H](CO)C(=O)NCc1cc(O)ccc1O 1176754455 DLNRYPNRJWFELB-NSHDSACASA-N 296.323 -0.153 10 10 CBCE NC(=O)[C@@H](O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1634600981 GKQUZQNILGPGLL-QMMMGPOBSA-N 296.304 -0.112 10 10 CBCE CN(C[C@H](O)CN)S(=O)(=O)Cc1ccc(N)cc1 2071558509 NWHKDVHEQJJSKZ-LLVKDONJSA-N 273.358 -0.650 10 10 CBCE O=C1CN(c2ccc(CO)cc2F)CCN1CCO 2114627291 VGJZXAWDXIWDML-UHFFFAOYSA-N 268.288 -0.041 10 10 CBCE NC(=O)C1[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]12 2136572856 JJLGWFSNZIXUCD-HTQZYQBOSA-N 262.265 -0.099 10 10 CBCE C[C@@]1(CO)CNCCN1S(=O)(=O)Cc1ccc(N)cc1 2191769476 OWPBQMVFUGDFFR-ZDUSSCGKSA-N 299.396 -0.245 10 10 CBCE C[C@@]1(O)CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1O 2197969213 WPHOHJBNFBKWFF-ZWNOBZJWSA-N 283.280 -0.239 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@H]1NC(=O)Cc1ccc(N)cc1 2207463278 DGPWREQFULVUQZ-VXGBXAGGSA-N 298.364 -0.261 10 10 CBCE Nc1ccc(O)c(CN2CC[C@](O)(CO)[C@@H](O)C2)c1 2225732537 LQMMMWNTCNURGD-STQMWFEESA-N 268.313 -0.736 10 10 CBCE CS(=O)(=O)N1CC(CNC(=O)Cc2ccc(N)cc2)C1 2233038306 IYEYFMFNVCCEDU-UHFFFAOYSA-N 297.380 -0.181 10 10 CBCE NCCOCCOCCNC(=O)c1cc(O)nc(O)c1 2233849745 GPRUJKKSSPUCEO-UHFFFAOYSA-N 285.300 -0.786 10 10 CBCE CN(C)/C=C1/C(=N)N=C(N2CCOCC2)NC1=O 101450677 KLXUCSVBLVTXPV-FPLPWBNLSA-N 251.290 -0.773 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CC(=O)N2CCC[C@@H]21 305987620 NQQMAWASRCSMPK-XCBNKYQSSA-N 252.278 -0.495 10 10 CBCE O=[N+]([O-])c1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1CO 317432297 LPSCBYQLZDJANZ-SKDRFNHKSA-N 268.269 -0.124 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)C[C@@H]2CO)cc1 698139128 OEQNHKSXAKFNND-MNOVXSKESA-N 266.297 -0.398 10 10 CBCE CN1CCN(CC(=O)c2ccc(O)c(O)c2)[C@H](CO)C1 699525478 XYIVFHMQQGAHNT-NSHDSACASA-N 280.324 -0.111 10 10 CBCE C[C@H](C(N)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@H]2N 723192510 SLEIURPBAPVRHW-HQJQHLMTSA-N 262.313 -0.027 10 10 CBCE C[C@@H](Oc1ccc(N)cc1)C(=O)N[C@@H](CO)C(=O)O 1860082964 ZKDLLUHBSSMBBV-XCBNKYQSSA-N 268.269 -0.402 10 10 CBCE Cc1cccc(O)c1CN1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1 1974194354 KWBKEJXBIFBFJT-PHIMTYICSA-N 275.308 -0.501 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CO 2080939357 SPGBJKUNKSZCEW-AVGNSLFASA-N 253.298 -0.610 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H](CO)CCCO)cc1 2090387684 LZDQRHMUBUHJRC-LBPRGKRZSA-N 288.369 -0.178 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@H](O)C3)ccc2[C@H]1O 2126909693 AOLONYVYWJHUSM-HOTUBEGUSA-N 264.281 -0.396 10 10 CBCE NC(=O)C1[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@@H]12 2201278115 LCHUXARBMAYIGK-LNLATYFQSA-N 273.292 -0.160 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1C 2289408851 VWXJJZRCAWBORY-QEJZJMRPSA-N 280.368 -0.135 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2356974887 GBHBDVKXJINBII-AGNRWKBWSA-N 281.264 -0.631 10 10 CBCE CCOC(=O)CNC(=O)[C@H](N)c1cc(O)ccc1O 83496899 GTVPCRBOKZGUEP-LLVKDONJSA-N 268.269 -0.223 10 10 CBCE O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1cccc(O)c1O 125987238 QWIUAOXYUKNWCS-XPUUQOCRSA-N 267.237 -0.242 10 10 CBCE CN(C)CCONC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 393418999 LSRZYWMAGOXPPR-JTQLQIEISA-N 283.328 -0.423 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC(CO)(CO)C3)ccc21 1914968378 MQPCMYIADMEEEW-NSHDSACASA-N 263.297 -0.571 10 10 CBCE O=C(N[C@H]1CCNCC[C@H]1CO)c1cc(O)nc(O)c1 1921722354 GQLSJUAQOHPWMT-WPRPVWTQSA-N 281.312 -0.417 10 10 CBCE O=C(NC[C@H](CO)C(=O)O)c1ccc(O)c(O)c1 2067733261 IQWQYBMIBKRXFS-SSDOTTSWSA-N 255.226 -0.479 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCO[C@H]1C(N)=O 2117474859 ZGINKZGMUGGLJO-WCBMZHEXSA-N 264.285 -0.578 10 10 CBCE N[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1CO 2122380300 ZBYNKJLMWRCJOX-SCZZXKLOSA-N 266.297 -0.121 10 10 CBCE C[C@H](NCC(CO)(CO)CO)c1cc(O)ccc1O 2123207822 BNMZWSYKELLRRL-VIFPVBQESA-N 271.313 -0.288 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@]1(CO)CCCN1 2168648557 WCVULUZCSQUYTA-CQSZACIVSA-N 280.324 -0.129 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@H]2O 2182528200 IUULBZZPCARUMO-FQPOAREZSA-N 279.292 -0.089 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CCC[C@@H]2O 2184692904 IYRUHBLFODUYKG-LBPRGKRZSA-N 277.324 -0.167 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@]1(CN)CCOC1 2188922590 HZUABXGBFMCPNU-CYBMUJFWSA-N 282.296 -0.007 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CCC[C@@H]2O 2201007136 RHEFVQWVIVDVGH-QPSCCSFWSA-N 279.336 -0.041 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)[C@H]3CF)ccc21 2205601120 RLIWQLCZTXYWBA-NOOOWODRSA-N 281.287 -0.482 10 10 CBCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1O 2234097711 POWWSDOXIYMZEF-HERUPUMHSA-N 283.324 -0.260 10 10 CBCE C[C@H](N)CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486861 AWXUSWPGICMKDU-IONNQARKSA-N 282.296 -0.053 10 10 CBCE Cc1ccc([C@H](N)C(=O)NC[C@@H](O)CO)c(O)c1 83398402 CBCNYPMROKQAKV-KCJUWKMLSA-N 254.286 -0.830 10 10 CBCE C[C@@H](O)[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 235233892 PIVURBHJDMIRFT-MLUIRONXSA-N 255.226 -0.338 10 10 CBCE CN(C(=O)CCOc1ccc(N)cc1)C(CO)CO 388226839 AIZTYRXLINCBFG-UHFFFAOYSA-N 268.313 -0.151 10 10 CBCE CN1CCN[C@@H](CNC(=O)c2ccc(O)c(O)c2)C1 694873049 OHMAHRDUYUIEBT-JTQLQIEISA-N 265.313 -0.269 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H]1COCCN1CC(F)(F)F 808547388 NHFMAHAKSLYOAD-QMMMGPOBSA-N 297.229 -0.049 10 10 CBCE O=C(CN1C(=O)CNC1=O)NCc1ccc(O)cc1O 1570460851 GQTYAPBKQNPPQF-UHFFFAOYSA-N 279.252 -0.734 10 10 CBCE CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)C(N)=O 1643742116 PBOPMMOTQKBCLD-KWQFWETISA-N 293.323 -0.051 10 10 CBCE O=C1C[C@H](c2cc(O)c(O)c(O)c2)[C@H](C(=O)O)N1 1951858180 FKMRWKBJPKJBMR-MLUIRONXSA-N 253.210 -0.140 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@H]1O)c1cccc(O)c1O 2046405166 GBDLLKAUPQZJGY-SKWCMTHISA-N 253.254 -0.288 10 10 CBCE NC[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@H]1CCOC1 2049784440 LSTVWGPXLQMSIJ-NAKRPEOUSA-N 254.330 -0.137 10 10 CBCE OCc1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1 2121543967 SGVIZGBXRDVWLT-CQSZACIVSA-N 266.341 -0.346 10 10 CBCE CC1(C)[C@H](O)[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2124805532 XHLAYUFRHUXBMY-GMSGAONNSA-N 268.269 -0.551 10 10 CBCE [N-]=[N+]=NCCNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(=O)O 2218735706 QUFBCOQMWQWTNO-RITPCOANSA-N 276.274 -0.842 10 10 CBCE N=c1nnc(Nc2ccc3c(c2)CCS3(=O)=O)n[nH]1 2226142311 RUEWQPCRPKIUGL-UHFFFAOYSA-N 278.297 -0.247 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1 2273791232 PVZDNCUOPTXWCU-JIMOISOXSA-N 271.288 -0.532 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1O 2289357694 KBIOXLUZDZUSDJ-LBLXLQPISA-N 283.324 -0.404 10 10 CBCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)cc1N 2333608567 BJTMPNRMCAPJBZ-RWMBFGLXSA-N 268.313 -0.166 10 10 CBCE Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H]2F)c(=O)[nH]c1=O 6521403 AVYGFRQPURLSLQ-JXOAFFINSA-N 285.235 -0.248 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)[C@@H](N)c1ccccc1O 83496876 JNSDZWBBHURFHS-UWVGGRQHSA-N 268.269 -0.958 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCC(=O)NC2)cc1 111015148 WHVJIVJRYOTNND-NSHDSACASA-N 283.353 -0.033 10 10 CBCE C[C@H](c1c(O)cccc1O)N(CC(N)=O)CC(N)=O 235192764 QKGHNSQUGBEEFT-SSDOTTSWSA-N 267.285 -0.569 10 10 CBCE Nc1ccc(NC(=O)CCN2C[C@H](O)[C@@H](O)C2)cc1 236350634 AMTYKAQXDVWFJM-RYUDHWBXSA-N 265.313 -0.365 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](CO)[C@@H](O)C1 315995447 AQEBSPGYCFRRBV-XVKPBYJWSA-N 253.254 -0.477 10 10 CBCE [N-]=[N+]=NC1CN(CCS(=O)(=O)N2CCOCC2)C1 1912190455 DKXJOKYBVBTTLR-UHFFFAOYSA-N 275.334 -0.357 10 10 CBCE NS(=O)(=O)NCCCNCc1ccccc1O 1995941774 HNDUPQZCZDYUSP-UHFFFAOYSA-N 259.331 -0.335 10 10 CBCE CCN(CC(=O)NC)C(=O)c1cnn2c(O)cc(C)nc12 2062749549 LVDQMDRJVLLVAY-UHFFFAOYSA-N 291.311 -0.049 10 10 CBCE OCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(F)c1 2127263038 FPCKCKCFXUMELT-NWDGAFQWSA-N 269.272 -0.371 10 10 CBCE Cc1cc(CO)ccc1N1CC2(C1)OC[C@H](O)[C@H]2O 2127263837 JULOVALVTABTDX-QWHCGFSZSA-N 265.309 -0.202 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1ccc(CO)c(Cl)c1 2127698643 AJSCMRVYUOGLCC-SNVBAGLBSA-N 283.715 -0.378 10 10 CBCE O=C(NCCc1nc(=O)o[nH]1)c1cc(O)c(O)c(O)c1 2188875866 VHRKWTFELQRXHX-UHFFFAOYSA-N 281.224 -0.548 10 10 CBCE N[C@]1(C(=O)NCCc2ccc(O)c(O)c2)C[C@H](CO)C1 2194074463 NHRDSZNLBGZUCA-WJONMLJTSA-N 280.324 -0.144 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(O)(CCO)C3)cc21 2286176998 OYKMRIFDJASNSJ-LBPRGKRZSA-N 277.324 -0.404 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1C 2289408856 VWXJJZRCAWBORY-VHDGCEQUSA-N 280.368 -0.135 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCCNC1=O 50397698 HDCYGDLQIBIOFL-UWVGGRQHSA-N 293.323 -0.638 10 10 CBCE C[C@@H](c1ccc(O)cc1O)N1CCNC[C@H]1C(N)=O 251501833 GEJKPLCXRDFGHK-KWQFWETISA-N 265.313 -0.082 10 10 CBCE CC(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723178005 WYLTWWRFJLHDJM-LBPRGKRZSA-N 260.297 -0.037 10 10 CBCE N[C@@H](c1ccccc1O)[C@@]1(O)CCS(=O)(=O)C1 1943688544 AAWJHDMVTKPSOP-WDEREUQCSA-N 257.311 -0.058 10 10 CBCE CNC1CN(S(=O)(=O)NCc2ccccc2O)C1 2041102812 RBCQCQPZFWRPGG-UHFFFAOYSA-N 271.342 -0.370 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](O)[C@H](O)C1 2068405609 HDMLVFAKUSHRCO-GXSJLCMTSA-N 253.254 -0.335 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2080924670 DDBKKXYPTIYLKP-SDDRHHMPSA-N 273.716 -0.265 10 10 CBCE CN(CC(CO)CO)c1ccc2c(c1)NC(=O)[C@H]2O 2094026719 GDQHFTIVUDUUCG-LBPRGKRZSA-N 266.297 -0.291 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@@H](O)[C@@H](O)[C@H]1C2 2173342545 CLMQLGHZQSYKNT-PPSWKLDYSA-N 280.280 -0.551 10 10 CBCE Nc1ccc(OCC(=O)N[C@]2(CO)CCCNC2)cc1 2191896740 FWBDKNZOGCDDRH-CQSZACIVSA-N 279.340 -0.122 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CCC[C@H]2O 2201007134 RHEFVQWVIVDVGH-KBXIAJHMSA-N 279.336 -0.041 10 10 CBCE CN(C(=O)c1c[nH]nc1CCN)c1cccn(C)c1=O 2235316784 FANREMPFSATBLE-UHFFFAOYSA-N 275.312 -0.114 10 10 CBCE CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[C@H](N=[N+]=[N-])C1 2236145868 BKUJUDMBZOHSFL-DTWKUNHWSA-N 282.304 -0.332 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@H](O)CC3)ccc2[C@H]1O 2284535710 BZJJIIABPJCXGA-FRRDWIJNSA-N 278.308 -0.006 10 10 CBCE COC[C@H]1C[C@@H](CN)N(C(=O)c2cc(O)nc(O)c2)C1 2289496585 OXYFXMQRLCJZQQ-WPRPVWTQSA-N 281.312 -0.071 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@@H](O)C2)cc1 236352154 BGOXBYMTTLZPND-QWRGUYRKSA-N 251.286 -0.755 10 10 CBCE [N-]=[N+]=N[C@H]1[C@@H](n2ccc(N)nc2=O)C[C@@H](CO)[C@H]1O 256011845 XSOIFZFGJWIAOQ-UXXCCHNYSA-N 266.261 -0.581 10 10 CBCE COC[C@](C)(CO)N(C)C(=O)c1cc(O)nc(O)c1 689311032 LVGMKBZFZCDYKB-LBPRGKRZSA-N 270.285 -0.038 10 10 CBCE C[C@H](ON)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 708672973 KRERULACPDYGMN-XPUUQOCRSA-N 284.268 -0.512 10 10 CBCE O=C1N[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CO1 859910164 KZBAWNZBTAEKTL-ZETCQYMHSA-N 281.220 -0.068 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCN1C(=O)CCC1=O 1586281274 UQLGCADYPVWOSZ-UHFFFAOYSA-N 292.291 -0.095 10 10 CBCE O=C(NCc1ccccc1O)C1=NN(CCO)C(=O)CC1 1631535577 CYNFSYGXLWUHRL-UHFFFAOYSA-N 291.307 -0.021 10 10 CBCE O=S1(=O)CC[C@@H](CNCc2ccc(O)c(O)c2)N1 2029510933 QCXNKJPEBBUDRP-VIFPVBQESA-N 272.326 -0.121 10 10 CBCE O=C(NC1(C(=O)O)CNC1)c1ccc(O)c(O)c1 2034878663 JLXBBFQUMJZPPR-UHFFFAOYSA-N 252.226 -0.746 10 10 CBCE CON(CC(=O)O)C(=O)c1cc(O)c(O)c(O)c1 2068565458 CLIRNEONFLYKGF-UHFFFAOYSA-N 257.198 -0.108 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2104427780 YEYQEGQDTZTNBW-GHZHAGSWSA-N 265.265 -0.336 10 10 CBCE CN[C@@H](C)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2184142279 XXWXFNBMEMUPJJ-JOYOIKCWSA-N 276.340 -0.243 10 10 CBCE CN(C[C@@H]1COCCN1)C(=O)c1cc(O)c(O)c(O)c1 2188918513 FRUBRQHDSWMLAL-SECBINFHSA-N 282.296 -0.136 10 10 CBCE O=C(N[C@]1(C(=O)O)C[C@H](O)C1)c1cc(O)c(O)c(O)c1 2193458698 YTLFSGSNASHZAH-ZFUMSHNSSA-N 283.236 -0.489 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CCO2 2219585973 HBSRPHOEUIWEFU-MDZLAQPJSA-N 251.282 -0.476 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(CO)c1 2220426573 FRZYZXFZFFUGSV-GXFFZTMASA-N 253.298 -0.023 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(CO)c1 2236002655 NSANBIIURPIYCN-QWHCGFSZSA-N 281.308 -0.502 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)[C@@H](O)CC1 2284583688 MPTVDQQSAZESGN-RYUDHWBXSA-N 281.308 -0.016 10 10 CBCE COc1ccc(O)c([C@@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1 2354717267 LMMKWXYIFZGLCV-IXSIHGPPSA-N 283.324 -0.094 10 10 CBCE O=C(O)CN(CCO)C(=O)c1cc(O)nc(O)c1 389006781 RORUQQCJTDSYMZ-UHFFFAOYSA-N 256.214 -0.988 10 10 CBCE NC(=O)[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2O)O1 1622786960 GIIJXMOZBULYQF-GMSGAONNSA-N 280.280 -0.140 10 10 CBCE NC(=O)Cn1cc(C(=O)N2Cc3cccc(O)c3C2)nn1 1632709113 KXWHLENDOAMNPW-UHFFFAOYSA-N 287.279 -0.375 10 10 CBCE COC[C@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2092829277 QEMQBPUYGYDYGF-ZETCQYMHSA-N 270.241 -0.288 10 10 CBCE NC(=O)C(F)(F)CNC(=O)c1cc(O)c(O)c(O)c1 2132409459 FWVAHFVFCQRFEN-UHFFFAOYSA-N 276.195 -0.346 10 10 CBCE Nc1ccc(CCN2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2225730933 BCPAAPVSUWNZAK-UONOGXRCSA-N 266.341 -0.399 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@H]1[C@@H](O)CO 2258345944 NJJZOAZZQMZCFV-WPRPVWTQSA-N 253.254 -0.335 10 10 CBCE CCN(CCN=[N+]=[N-])CC(=O)NCCNC(C)=O 2315988253 HCUMKAAAJWUUAN-UHFFFAOYSA-N 256.310 -0.129 10 10 CBCE O=C(NCc1ccccc1O)[C@H]1NCC[C@@H](O)[C@H]1O 2331506687 JEHBCPYRVOSKOQ-GRYCIOLGSA-N 266.297 -0.908 10 10 CBCE COC(=O)CCNC(=O)[C@@H](N)c1cc(O)ccc1O 83496898 PVPMYRKMBSVSOF-NSHDSACASA-N 268.269 -0.223 10 10 CBCE C[C@@H]1O[C@H](Oc2ccc(N)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 90614191 CITVZWPAGDTXQI-KHIDNNIESA-N 255.270 -0.525 10 10 CBCE CN1CCN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)CC1=O 131401162 SARUEZZYADOGRN-CYBMUJFWSA-N 274.324 -0.059 10 10 CBCE O=C(CN1CCO[C@H](CO)C1)c1ccc(O)c(O)c1 168199840 BTBMPRCTPAVUFO-JTQLQIEISA-N 267.281 -0.026 10 10 CBCE NC(=O)CN1CCN(c2ccc(CO)cc2F)CC1 704350872 NEILVBVEIRVYRD-UHFFFAOYSA-N 267.304 -0.075 10 10 CBCE O=C(N[C@@]1(C(=O)O)CCCNC1)c1cc(O)nc(O)c1 711782275 XTXDSJGZGSJRFP-LBPRGKRZSA-N 281.268 -0.571 10 10 CBCE O=C(NCc1ccc(O)cc1O)C1=NN2CCCN=C2N1 1570462192 IHSOAXCRMFKVMX-UHFFFAOYSA-N 289.295 -0.308 10 10 CBCE CN(CCCN=[N+]=[N-])CC(=O)N[C@H]1CCS(=O)(=O)C1 1912181465 OFQKINCCODYEQR-VIFPVBQESA-N 289.361 -0.078 10 10 CBCE Nc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2071647714 FTDMHHRWZJOBKE-NEPJUHHUSA-N 267.354 -0.156 10 10 CBCE CN1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H](N)C1 2132419811 WQSRFKNTGDABJA-SFYZADRCSA-N 267.285 -0.826 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CC(O)(CCO)C2)cc1 2286172753 PBVZFCDIDIMOPI-LBPRGKRZSA-N 282.340 -0.562 10 10 CBCE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 168956458 VRFWCZZBPNORGZ-HTQZYQBOSA-N 282.252 -0.759 10 10 CBCE NCCn1cc(NC(=O)c2cc(O)nc(O)c2)cn1 388503723 HWYQVVPQWDZACM-UHFFFAOYSA-N 263.257 -0.100 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@@H](CO)C1 396809756 QDRBYBBMIXNSDK-BDAKNGLRSA-N 268.269 -0.692 10 10 CBCE OCC(CO)(CO)NCc1ccc(F)c(F)c1O 703417352 KQUKCEQOYLJEOJ-UHFFFAOYSA-N 263.240 -0.524 10 10 CBCE O=C(NCc1nc(CO)n[nH]1)c1cccc(O)c1O 1453806749 MRQNCYYFNLOTCN-UHFFFAOYSA-N 264.241 -0.362 10 10 CBCE CCOC(=O)CNC(=O)CCN1C(=O)CSC1=S 1865766210 TZMLZUUJMBBSJN-UHFFFAOYSA-N 290.366 -0.084 10 10 CBCE COc1cccc(O)c1CNCCS(N)(=O)=O 1997940534 FZXOLRHQDSQTRR-UHFFFAOYSA-N 260.315 -0.221 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@H]2COC[C@H]21 2102177818 OKUWDSQQSSPAGW-YIZRAAEISA-N 266.253 -0.676 10 10 CBCE Cc1cccc(CNC(=O)[C@H](N)CCC(N)=O)c1O 2141239572 XRVBMXPECUQNIS-SNVBAGLBSA-N 265.313 -0.090 10 10 CBCE O=C(N[C@@H]1COC[C@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2188868189 NHFRLJPZARZGOG-RNFRBKRXSA-N 283.236 -0.367 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@](N)(C(=O)O)C2)cc1 2191792775 WFLOOLYDURYXNR-LBPRGKRZSA-N 299.352 -0.414 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c([N+](=O)[O-])c1 2200878896 ZGYJLEWRJUJTBZ-SDDRHHMPSA-N 284.268 -0.494 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2260838496 IOSOUSLOZAOVEM-WCFLWFBJSA-N 252.314 -0.704 10 10 CBCE Nc1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1 36283824 IUTVJBJKKLJJAE-UHFFFAOYSA-N 282.281 -0.554 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1CCC(=O)N1 79947249 DMJJPXQHWIIHTN-ZJUUUORDSA-N 293.323 -0.638 10 10 CBCE N[C@@H](CCC(=O)O)C(=O)NCc1cc(O)ccc1O 83496865 KVGAAMBJSWSQLK-VIFPVBQESA-N 268.269 -0.094 10 10 CBCE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(O)c1O 126735117 OFNSQKNBBPRORB-APPZFPTMSA-N 281.264 -0.154 10 10 CBCE O=C1CN(C(=O)[C@H]2CNc3ccccc3N2)CC(=O)N1 229882788 OOCQLVWANLXBTL-SNVBAGLBSA-N 274.280 -0.622 10 10 CBCE O=C(N[C@]1(CO)CCCNC1)c1cc(O)nc(O)c1 711742164 MEIPQPTVPJLMOD-GFCCVEGCSA-N 267.285 -0.663 10 10 CBCE OC[C@H]1COC[C@@H]1NCc1ccc(O)c(O)c1O 2029851105 NKJAWUNUTWRMCV-IUCAKERBSA-N 255.270 -0.100 10 10 CBCE CN1C[C@H](NCc2ccc(O)c(O)c2O)[C@H](O)C1 2029870797 PUXJVMMTZKHPMK-WCBMZHEXSA-N 254.286 -0.432 10 10 CBCE O=C(N[C@H]1CNCCOC1)c1cc(O)nc(O)c1 2034725970 NYTLUSBCSVVDJX-QMMMGPOBSA-N 253.258 -0.789 10 10 CBCE CN(CC(=O)O)S(=O)(=O)N(C)c1ccc(N)cc1 2044263986 KLTZRGPBWVLZTQ-UHFFFAOYSA-N 273.314 -0.034 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CNC[C@@H]2O)cc1 2071847373 DXYTWAYVAFZDCN-QWRGUYRKSA-N 251.286 -0.904 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2O)C[C@H]1O 2116186949 DVIFUOQORPQMSG-JVUFJMBOSA-N 266.297 -0.074 10 10 CBCE O=C1N[C@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@H]2O1 2120408265 XEQIVTQRLHGFMW-NKWVEPMBSA-N 265.225 -0.574 10 10 CBCE COC(=O)C1(O)CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188577170 RCLKMWDOSBOGTC-UHFFFAOYSA-N 282.252 -0.189 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCO[C@H]3CNC[C@@H]32)cc1 2191785027 UZMJJDIKXRWNQZ-STQMWFEESA-N 297.380 -0.229 10 10 CBCE CC(C)(C)OC(=O)NCCOc1nnc(=N)[nH]n1 2208939783 JYGAZRWSSKGNEP-UHFFFAOYSA-N 256.266 -0.417 10 10 CBCE N=C(N)c1cnc(SC2=NC(=O)CC(=O)N2)s1 2253258987 YCYNFOBVSOVTRX-UHFFFAOYSA-N 269.311 -0.078 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CCO[C@H]2CNC3)C1 2264263214 LLGFACQDINTDDS-PZEZNAACSA-N 252.314 -0.370 10 10 CBCE Cc1cccc([C@H](N)C(=O)NCCOCCO)c1O 83497396 MHMRBXSXTXTFEG-NSHDSACASA-N 268.313 -0.174 10 10 CBCE O=C(NCC1(O)CCOCC1)c1cc(O)nc(O)c1 162409467 JJEBHZPIIQBNBX-UHFFFAOYSA-N 268.269 -0.236 10 10 CBCE COCCNC(=O)CNCc1cccc(O)c1O 228696388 DAVPMMNHYHJXOL-UHFFFAOYSA-N 254.286 -0.050 10 10 CBCE C[C@H](O)CN(CCO)CC(=O)N(C)c1ccc(N)cc1 313473468 GERFSVWUWDLPEP-NSHDSACASA-N 281.356 -0.093 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC(=O)N1 387366040 WWAGSFLXBHVOHU-ZCFIWIBFSA-N 251.242 -0.547 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@@H](O)C1 399972864 FRXFXWHMUISICA-VIFPVBQESA-N 253.254 -0.069 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)[C@@H](CO)C1 699435431 QZKUIJOMJXDFPZ-MFKMUULPSA-N 277.324 -0.215 10 10 CBCE O=C(c1cc(O)cs1)N1CCN2CCOC[C@@]2(CO)C1 1124053603 RIIVGNGUUMAPOE-ZDUSSCGKSA-N 298.364 -0.027 10 10 CBCE C[C@H]([C@](C)(NCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2004028157 VGVYPOSPYYDLGF-SVRRBLITSA-N 263.323 -0.437 10 10 CBCE O=C(NC1(C(=O)O)COC1)c1ccc(O)c(O)c1 2035954732 APOVNKKVSBKSTL-UHFFFAOYSA-N 253.210 -0.319 10 10 CBCE Nc1ccc(NC(=O)NC2(C(=O)O)CNC2)cc1 2071563975 QSAWCEIQHDQSEB-UHFFFAOYSA-N 250.258 -0.183 10 10 CBCE O=c1c2c(ccn1C[C@@H]1C[C@@H](CO)CO1)CCNC2 2099393002 UMBULUOILQYYII-JQWIXIFHSA-N 264.325 -0.109 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CC[C@@H]2N 2128324822 KPAXHYZDIMQIBC-NSHDSACASA-N 262.313 -0.590 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2OCCN[C@@H]2C1 2188923928 NNYXRRUMZCRNFM-KCJUWKMLSA-N 280.280 -0.384 10 10 CBCE CSc1ncc(CNC(=O)[C@H]2CNC(=O)CN2)s1 2257026310 LCGNQJXGQTXBLA-SSDOTTSWSA-N 286.382 -0.431 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CCO3)C[C@@H](O)[C@H]1O 2273675397 VQUDNMMGEAOGLO-SUHUHFCYSA-N 265.309 -0.228 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1cc(F)ccc1O 2332871848 LPABPERYEDBISA-GMTAPVOTSA-N 271.244 -0.478 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)C[C@H]1CO 698130803 QRXDKXQCPNNNLB-YUMQZZPRSA-N 253.254 -0.335 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1 698226839 IEXCQDYEMSXIQN-NEPJUHHUSA-N 265.313 -0.365 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 704660669 UATIVTCEPFLEPF-RYUDHWBXSA-N 264.325 -0.130 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1COC[C@H]1N 708132548 YWKRFVCHZDONHU-BDAKNGLRSA-N 252.270 -0.104 10 10 CBCE CC(=O)C(=O)COC(=O)CCn1cc([N+](=O)[O-])cn1 808508381 DEYIWRDCPXAXEQ-UHFFFAOYSA-N 269.213 -0.117 10 10 CBCE O=C(CO)NCCC(=O)NCc1ccc(O)c(O)c1 1445899569 GPFPEPDJLCLOSX-UHFFFAOYSA-N 268.269 -0.787 10 10 CBCE C[C@@H](O)[C@H](N)CNC(=O)Cc1ccc(O)c(O)c1 2027479596 IHPMIGUIZSZBJM-VXNVDRBHSA-N 254.286 -0.535 10 10 CBCE CN(C)C[C@@H](O)Cn1ccc2c(c1=O)CNCC2 2033379522 RCTFAOMRZIEHPM-LLVKDONJSA-N 251.330 -0.584 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(O)c(O)c1 2053779292 GJNDEIYFMNWGMP-GZMMTYOYSA-N 252.270 -0.170 10 10 CBCE O=C(N[C@]1(CO)C[C@H](O)C1)c1cc(O)nc(O)c1 2076686886 UKNFXRVZHQYPGS-DGFRNANFSA-N 254.242 -0.892 10 10 CBCE CNS(=O)(=O)C1CN(C(=O)Cc2ccc(N)cc2)C1 2130779196 ODIPSRSKBUCZRY-UHFFFAOYSA-N 283.353 -0.429 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1ccc(O)cc1O 2136097499 XBYWNGSHIUKGML-VWYCJHECSA-N 269.253 -0.912 10 10 CBCE NC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCCO1 2188929383 OYJPCRNFEDQJIL-SECBINFHSA-N 282.296 -0.007 10 10 CBCE NC1(C(=O)N2CCc3cc(O)c(O)cc3C2)COC1 2341202656 NDQBFYCOSZNKLX-UHFFFAOYSA-N 264.281 -0.290 10 10 CBCE O=C1Nc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc2[C@@H]1O 2354474677 QCGDYPAUJMUPSJ-YBJAMMKNSA-N 276.292 -0.398 10 10 CBCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c1cn[nH]n1 71215110 HJBJGHPWOSNSNJ-SSDOTTSWSA-N 292.251 -0.358 10 10 CBCE C[C@@](O)(CO)CNC(=O)COc1ccc(N)cc1 90283821 CFOKOZYNJIOTIN-LBPRGKRZSA-N 254.286 -0.493 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](CO)C1 705319750 NTXFKGVMMNYRAX-AOOOYVTPSA-N 267.281 -0.229 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@@H](N)C(=O)O)cc1 1876525505 MXENHXUULFIBKF-SNVBAGLBSA-N 267.285 -0.434 10 10 CBCE COC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 1876533265 NIFQBOMJSDVLBD-SNVBAGLBSA-N 288.325 -0.778 10 10 CBCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)N2CC(O)C2)C1 1912160326 UPUNBDMDTDWCJV-SSDOTTSWSA-N 261.307 -0.460 10 10 CBCE O=[N+]([O-])c1ccc(O)c([C@H]2CS(=O)(=O)NCCN2)c1 1952452453 LKLSDAAFPCZECX-SECBINFHSA-N 287.297 -0.136 10 10 CBCE N[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2COC[C@@H]12 1973673009 OHVLFRNVDJBMLU-HBNTYKKESA-N 278.308 -0.175 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2104427781 YEYQEGQDTZTNBW-JYMQHFNDSA-N 265.265 -0.336 10 10 CBCE O=C(NC[C@H]1[C@H]2CNC[C@H]21)c1cc(O)c(O)c(O)c1 2132399704 HSYXDGOVOJJEAE-AYMMMOKOSA-N 264.281 -0.001 10 10 CBCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](C)O 2144030153 ZBWXPEWSDPXCBG-JVXZTZIISA-N 283.280 -0.321 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@H]3COC[C@@H]32)cc1 2158396968 HPGSKFWRFYADMB-AVGNSLFASA-N 278.308 -0.134 10 10 CBCE NCCc1nc(NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 2183125967 OSNIJIIZVLDKES-UHFFFAOYSA-N 277.284 -0.102 10 10 CBCE C[C@@H](N)c1cc(F)c(N(CC(N)=O)CC(N)=O)c(F)c1 2194687647 GDGFQJWPYOQENA-ZCFIWIBFSA-N 286.282 -0.239 10 10 CBCE CO[C@@H](CN)CNC(=O)COc1ccc(N)cc1 2317603028 LXPCMLFPULVMKJ-NSHDSACASA-N 253.302 -0.263 10 10 CBCE C[C@@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc(O)ccc1O 2330863985 QLHYKRGNESEUMH-NYRNMGCKSA-N 287.337 -0.094 10 10 CBCE N[C@H](CCO)C(=O)N1CCc2cc(O)c(O)cc2C1 2341196183 KVLFOKBNWLTSBJ-SNVBAGLBSA-N 266.297 -0.308 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@@H]1[C@@H](O)[C@H](O)C2 2357024385 FVQKKADVEZXAOT-FNOROQBZSA-N 280.280 -0.409 10 10 CBCE N[C@@H](c1nnc([C@H](O)CO)o1)c1cccc(F)c1O 83512422 NTNRGUNKCLCATQ-HTQZYQBOSA-N 269.232 -0.012 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCS(=O)(=O)C1 130019438 PKIWIDTWJJNEML-ZETCQYMHSA-N 269.326 -0.033 10 10 CBCE CN(CCS(N)(=O)=O)C(=O)COc1ccc(N)cc1 719719425 KFJPAPRMNDNBNY-UHFFFAOYSA-N 287.341 -0.606 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1ccc(C)cc1O 877837900 LGTUSSGPVDESPE-UHFFFAOYSA-N 279.340 -0.005 10 10 CBCE CC(=O)NCCNC(=O)Cc1ccc(O)c(O)c1 1628460764 MAOCAUPSGSAMBN-UHFFFAOYSA-N 252.270 -0.107 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCNC1=O 1630808643 NNONIFQEYZIMEI-VIFPVBQESA-N 264.281 -0.013 10 10 CBCE CNC[C@H](O)c1cc(O)c(O)c(S(=O)(=O)O)c1 1775964646 VTQSYJXUXXJECU-ZETCQYMHSA-N 263.271 -0.403 10 10 CBCE Nc1ccc(CCNS(=O)(=O)N2CC[C@H](O)C2)cc1 1914186169 YYFFEYGINLQNCV-LBPRGKRZSA-N 285.369 -0.288 10 10 CBCE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc(O)c(O)c1 2035447013 QXYIBIGSVGACAR-ZCFIWIBFSA-N 274.298 -0.495 10 10 CBCE O=C(N[C@H]1CNCCSC1)c1cc(O)nc(O)c1 2036049125 MBRYAZHIFFOABN-QMMMGPOBSA-N 269.326 -0.072 10 10 CBCE CN(Cc1ccccc1O)C(=O)C1(CO)CNC1 2051333400 PDMDWBZTMCGCBH-UHFFFAOYSA-N 250.298 -0.068 10 10 CBCE O=C(NC[C@@H](CO)C(=O)O)c1ccc(O)c(O)c1 2067733262 IQWQYBMIBKRXFS-ZETCQYMHSA-N 255.226 -0.479 10 10 CBCE Nc1ccc(O)c(CN2CC3(C2)OC[C@@H](O)[C@@H]3O)c1 2127255505 AFJUYLBUMAPJGC-NEPJUHHUSA-N 266.297 -0.719 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 2171194883 FGMMQLANRJTILT-SNVBAGLBSA-N 276.296 -0.446 10 10 CBCE O=C(N[C@H]1CCO[C@@H]1C(=O)O)c1cc(O)c(O)c(O)c1 2188867699 FLCYUQZQACEAFK-WKEGUHRASA-N 283.236 -0.225 10 10 CBCE Nc1ccc(OCC(=O)N2CCO[C@@H]3CNC[C@H]32)cc1 2191719886 MZUPFCLQRNXOQK-CHWSQXEVSA-N 277.324 -0.153 10 10 CBCE C[C@@]1(CO)COCCN(C(=O)c2cc(O)nc(O)c2)C1 2199824750 HTHZKIYXRURDDH-CYBMUJFWSA-N 282.296 -0.036 10 10 CBCE CS(=O)(=O)NCC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2213585472 OCQOMIHOACYNIB-NKWVEPMBSA-N 261.307 -0.117 10 10 CBCE Nc1ccc(CCCN2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332922934 JQGUZPVEZNHNMI-MCIONIFRSA-N 266.341 -0.400 10 10 CBCE CCS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 35081195 VPILPHFVLLKLIB-UHFFFAOYSA-N 271.342 -0.094 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CNC(=O)C2)cc1 228871030 VRCGZYPAHCFYBO-SNVBAGLBSA-N 299.352 -0.545 10 10 CBCE CCN(CCOCCO)C(=O)c1cc(O)nc(O)c1 311939033 JZNQYVHJFZDNAY-UHFFFAOYSA-N 270.285 -0.036 10 10 CBCE O=S1(=O)CC[C@H](N=N[C@H]2CCS(=O)(=O)C2)C1 382674269 JJPYIPBRWJFRBQ-YUMQZZPRSA-N 266.344 -0.187 10 10 CBCE O=C1Nc2cc(N3C[C@H](CO)[C@@H](CO)C3)ccc2[C@H]1O 704451100 IBQHSBNHHZBLHS-JRKPZEMJSA-N 278.308 -0.291 10 10 CBCE CN([C@@H]1COC[C@@H]1O)S(=O)(=O)Cc1ccc(N)cc1 709343554 GPXPBLFIMVCVAB-NEPJUHHUSA-N 286.353 -0.210 10 10 CBCE COc1ncncc1C=C1C(=O)N(C)C(=O)N(C)C1=O 843264594 JWNVTXKQCRCNTP-UHFFFAOYSA-N 276.252 -0.081 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@H]1CNCCS1(=O)=O 1340605631 LTZHMEBQIJZLMC-GFCCVEGCSA-N 298.364 -0.263 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@H](CO)[C@H](N)C2)cc1 1876495320 NRIWJFUHJHGJCR-DGCLKSJQSA-N 263.341 -0.021 10 10 CBCE Nc1ccc(NC(=O)CN2CC(CO)(CO)C2)cc1 1914986354 GDAUFCRTGFYIAY-UHFFFAOYSA-N 265.313 -0.506 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@@H](O)C[C@H]2O)c(O)c1O 2046484034 PRHLSAXKXCPWRC-NQMVMOMDSA-N 255.270 -0.223 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2117486135 GETLMVKVTWOHLX-OIBJUYFYSA-N 266.253 -0.530 10 10 CBCE Nc1ccc(CN2CC([C@H]3NC(=O)NC3=O)C2)cc1 2128530355 NEWQOKIILSMCBB-LLVKDONJSA-N 260.297 -0.091 10 10 CBCE Nc1ccc(OCC(=O)NC2([C@H](O)CO)CC2)cc1 2133570283 CGPSPZYRIRVYKI-LLVKDONJSA-N 266.297 -0.350 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@H](C(=O)O)CO1 2165806107 WKNWUDIBYCVDGO-XPUUQOCRSA-N 282.252 -0.193 10 10 CBCE O=C1N[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4O)C[C@H]2O1 2176926564 IDUOASIBHHUAJG-MXWKQRLJSA-N 275.264 -0.031 10 10 CBCE Cc1cc(CO)ccc1N1CCN(C[C@@H](O)CO)CC1 2178034527 GTDXVBLGEULSKQ-CQSZACIVSA-N 280.368 -0.037 10 10 CBCE O=C(NCC1(CO)CCNCC1)c1cc(O)nc(O)c1 2188275749 PGSUHXBNUGOIKJ-UHFFFAOYSA-N 281.312 -0.415 10 10 CBCE Cn1[nH]c(CN)nc1=NS(=O)(=O)Cc1ccc(N)cc1 2191638984 AVKJHWAOAXYZCX-UHFFFAOYSA-N 296.356 -0.780 10 10 CBCE CO[C@@H]1[C@@H](N)C[C@@H]1NC(=O)c1cccc(O)c1O 2258689290 WPMZHUHZKHNANG-DKCNOQQISA-N 252.270 -0.058 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332920056 LZCVVIWFPNHQEW-KQXJFYCDSA-N 270.304 -0.252 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1[C@@H]2CCO[C@@H]21 2355545422 ZGNCMNGNKPBHKI-VDUILEQBSA-N 278.308 -0.129 10 10 CBCE NCc1ccc(N2CCOC[C@H]2C(N)=O)cc1F 129289409 INIAPVNCYPGCOR-NSHDSACASA-N 253.277 -0.025 10 10 CBCE N[C@@]1(C(=O)O)CCN(C(=O)c2cccc(O)c2O)C1 229242121 OXDWEZDOKAHMHY-LBPRGKRZSA-N 266.253 -0.274 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@H]1CCNC1=O 691425203 VMUCBKAYTDLJEC-NSHDSACASA-N 262.313 -0.555 10 10 CBCE C[C@H](C(N)=O)N(C)C[C@H](O)COc1ccc(N)cc1 711130332 XFTFPTQXYJFXPL-KOLCDFICSA-N 267.329 -0.186 10 10 CBCE O=C(C[C@H]1CC(=O)N1)NCc1cc(O)ccc1O 1643881723 CDOKEOCIOQMSAW-QMMMGPOBSA-N 250.254 -0.007 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(O)c(O)c2O)C1 2121363298 GYJHDYSVNLMOEM-VXNVDRBHSA-N 289.309 -0.949 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)C(=O)O 2131455957 CPGJQNXJVZTXIS-QMMMGPOBSA-N 269.253 -0.550 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@@H](CO)C1 2132349138 ZHNHCIVNRWAFAP-MRVPVSSYSA-N 269.253 -0.363 10 10 CBCE N[C@@H]1C[C@@H](O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132412252 BJFKBDIIPPARMB-HTQZYQBOSA-N 268.269 -0.663 10 10 CBCE COc1cc(N2CC[C@@](O)(CO)[C@H](O)C2)ccc1CN 2234097741 WCHLATVMPUKWFQ-ZIAGYGMSSA-N 282.340 -0.552 10 10 CBCE N[C@H](CC(=O)NCc1cc(F)ccc1O)C(=O)O 83413889 ZNMCVEBZZNEXBL-MRVPVSSYSA-N 256.233 -0.051 10 10 CBCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1cn(CCO)nn1 90637917 XVRFFGSBAOSDOT-VIFPVBQESA-N 283.292 -0.226 10 10 CBCE O=C(NCc1cnn[nH]1)c1cc(O)c(O)c(O)c1 1148589632 FLPAULIWVSVRLL-UHFFFAOYSA-N 250.214 -0.149 10 10 CBCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](O)C1 1556967181 AYGVTKAIUZCXPH-LLVWMEACSA-N 279.292 -0.077 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNCC[C@H]2O)cc1 1876407365 XWGOJFLYPDPPGR-VXGBXAGGSA-N 285.369 -0.589 10 10 CBCE O=C(O)[C@H]1C(=O)NC[C@@H]1c1ccc(O)c(O)c1O 1951651493 QCKHEPVUQYQYJX-IYSWYEEDSA-N 253.210 -0.282 10 10 CBCE C[C@@H](CS(N)(=O)=O)NC(=O)Cc1ccc(N)cc1 2035452787 IFUBNAHBYUZYMK-QMMMGPOBSA-N 271.342 -0.396 10 10 CBCE Oc1ccc(CNC[C@@H]2COC[C@H]2O)c(O)c1O 2036572959 UIDVKJQYLJJVJH-PSASIEDQSA-N 255.270 -0.100 10 10 CBCE COC(=O)[C@H](N)CCNC(=O)c1cccc(O)c1O 2088538436 ZJBNIHZCQNGWNJ-MRVPVSSYSA-N 268.269 -0.282 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2136339491 GWCHZUUHSMXPDN-AVGNSLFASA-N 286.759 -0.038 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(NC(N)=O)C3)cc21 2163215260 DLFRCVHIRRQHQN-LLVKDONJSA-N 275.312 -0.480 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1C[C@@H]1CO 2174276192 RRHBWJUIRFLVMJ-AXFHLTTASA-N 280.324 -0.288 10 10 CBCE Cn1[nH]c(CNC(=O)c2cc(O)c(O)c(O)c2)cc1=O 2188874082 CVUUMMXPYHSLKA-UHFFFAOYSA-N 279.252 -0.240 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1N 2188924172 PHGSLWWZKQFJRR-IUCAKERBSA-N 281.312 -0.483 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H]1[C@H](O)CO 2270715281 ZNEITWBDYSHXQD-GMSGAONNSA-N 269.253 -0.629 10 10 CBCE COC[C@H]1[C@@H](O)[C@@H](O)CN1Cc1ccc(N)cc1 2312329457 AOMXZHRWXUMIFH-RWMBFGLXSA-N 252.314 -0.179 10 10 CBCE NC(=O)[C@H]1CCCN1C[C@@H](O)COc1ccc(N)cc1 36670156 VOYPUDGQOYFXLF-DGCLKSJQSA-N 279.340 -0.042 10 10 CBCE NCc1cc(F)c(N(CC(N)=O)CC(N)=O)c(F)c1 62719209 BPQDSTWSQVIOFO-UHFFFAOYSA-N 272.255 -0.800 10 10 CBCE O=C(O)[C@H]1CNCCN1Cc1ccc(O)c(O)c1 88658439 GRMRPBMUDYUKEK-SECBINFHSA-N 252.270 -0.044 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@@H]1CO 126569987 JVSLWGBGVSOLCV-QMMMGPOBSA-N 253.254 -0.069 10 10 CBCE CN(C(=O)CN1CCO[C@@H](CO)C1)c1ccc(N)cc1 167014509 DKBWCQPKNXPLQQ-CYBMUJFWSA-N 279.340 -0.075 10 10 CBCE Nc1ccc(NC(=O)CCN2C[C@H](O)[C@H](O)C2)cc1 236350652 AMTYKAQXDVWFJM-TXEJJXNPSA-N 265.313 -0.365 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1cc(O)nc(O)c1 250757071 GLKWPUKTPWDBFG-ZFHNAUHKSA-N 265.269 -0.663 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@H]1COC[C@@H]1N 708126823 CUIKPLCCVXPXJO-IUCAKERBSA-N 252.270 -0.104 10 10 CBCE COC[C@@](C)(CO)NC(=O)c1cc(O)nc(O)c1 716818234 KJYDMEYGFQEGLR-LLVKDONJSA-N 256.258 -0.380 10 10 CBCE CC(=O)C(=O)COC(=O)c1ccc(S(N)(=O)=O)s1 808508321 AMCBJDCBSCQSTM-UHFFFAOYSA-N 291.306 -0.290 10 10 CBCE Cn1c(O)nnc1CNC(=O)Cc1ccc(O)c(O)c1 1469510968 DKHIEVXEMQVGNV-UHFFFAOYSA-N 278.268 -0.209 10 10 CBCE NC[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876465750 KAELWPDFYZUNDI-PWSUYJOCSA-N 285.369 -0.338 10 10 CBCE O=S1(=O)C[C@@H](c2cc(O)nc(O)c2)NCCN1 1952862050 LDYHUBACFNIFGQ-ZETCQYMHSA-N 259.287 -0.944 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@@H](O)[C@H](O)C2)ccc1CO 2068304821 YIXMCFVUCLVJHD-GHMZBOCLSA-N 254.242 -0.371 10 10 CBCE COc1ccc(N2CCNC[C@@H]2C(N)=O)c(N)c1 2071592321 GJROVSVCAMLAHS-LLVKDONJSA-N 250.302 -0.459 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC[C@H]3C(N)=O)ccc21 2089366002 ONAMHEFNGDNNJU-WDEREUQCSA-N 260.297 -0.037 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COC[C@H]2CO)cc1 2090318530 PODRFORQCNKUIM-BXKDBHETSA-N 266.297 -0.229 10 10 CBCE CN1C[C@H](O)[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 2090333170 GNBOIBVGFZDGEK-CABZTGNLSA-N 266.297 -0.569 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2NC[C@@H](O)[C@H]2O)c1O 2139759741 ZFMXPKHPIVNDKN-CKYFFXLPSA-N 266.297 -0.990 10 10 CBCE C[C@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CC(=O)N1 2141267439 FOSRDAFDBYTXMT-GFCCVEGCSA-N 266.253 -0.188 10 10 CBCE O=C(NC[C@H]1CNCCCO1)c1cc(O)c(O)c(O)c1 2188921582 CKPKJEJZYYONEY-SECBINFHSA-N 282.296 -0.088 10 10 CBCE O=C1N[C@H]2CN(Cc3ccc(F)cc3O)C[C@@H]2NC1=O 2204654319 OVYBAJWXEUWHBX-UWVGGRQHSA-N 279.271 -0.670 10 10 CBCE Nc1ccc(CN2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2218676087 BQSQUGUTLMXFPM-QWHCGFSZSA-N 252.314 -0.441 10 10 CBCE N[C@H]1C[C@@]2(NC(=O)c3cc(O)nc(O)c3)CO[C@H]1C2 2266456107 RIGNITONFLRCEL-UBJUHAIHSA-N 265.269 -0.519 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2OCC[C@]2(CO)C1 2296352082 COXAVPPJEULVNB-NOZJJQNGSA-N 280.280 -0.284 10 10 CBCE C[C@@H]1O[C@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@]1(N)C2 2312781578 MMCIXJUGNLNJFQ-YOEVNWDCSA-N 252.314 -0.099 10 10 CBCE CC[C@H]1C(=O)NCCN1C(=O)c1cc(O)nc(O)c1 110682296 OQLWIKOYDYLHJZ-QMMMGPOBSA-N 265.269 -0.157 10 10 CBCE COC[C@@H](O)CN(C)C[C@@H](O)COc1ccc(N)cc1 220220930 IITMFGYVBYUYKY-QWHCGFSZSA-N 284.356 -0.052 10 10 CBCE O=[N+]([O-])c1ccc(N2C[C@H](O)[C@H](O)C2)cc1CO 236509227 ZJGDHFONDYXICF-PHIMTYICSA-N 254.242 -0.371 10 10 CBCE Nc1ccc(NC(=O)CN2CCCNS2(=O)=O)cc1 308377503 BKYSJGLHEJNYKZ-UHFFFAOYSA-N 284.341 -0.253 10 10 CBCE CN1CC(NS(=O)(=O)CCOc2ccc(N)cc2)C1 379100781 NYAPTQNCBSRYBA-UHFFFAOYSA-N 285.369 -0.119 10 10 CBCE CC(=O)C(=O)COC(=O)c1ccccc1OCC(N)=O 808497730 BNEHMEJWLQHEPY-UHFFFAOYSA-N 279.248 -0.134 10 10 CBCE O=C(NCc1ccc(O)cc1O)C1(n2cnnn2)CC1 1142533656 PFZHSOPRYWIPNM-UHFFFAOYSA-N 275.268 -0.110 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC(NC2COC2)C1 1304207658 DCLFOYCEWFRFEF-UHFFFAOYSA-N 278.308 -0.161 10 10 CBCE C[C@@H](NC(=O)[C@@H]1CNCCS1(=O)=O)c1ccccc1O 1342404606 KHDVFRGZTOJPNO-SKDRFNHKSA-N 298.364 -0.044 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](N)C[C@@H](O)C2)cc1 1876529259 MEFDDMOXEQVLIU-NWDGAFQWSA-N 285.369 -0.508 10 10 CBCE NCC1CN(S(=O)(=O)NCc2ccccc2O)C1 2042998491 QSKGMPIZQQIBDL-UHFFFAOYSA-N 271.342 -0.383 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCOC[C@H]1N 2071694070 GMNVTXAWJNJOHQ-ZJUUUORDSA-N 250.302 -0.104 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@H]3COC[C@H]32)cc1 2158396973 HPGSKFWRFYADMB-XQQFMLRXSA-N 278.308 -0.134 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC(NC(N)=O)C3)ccc21 2163216275 LEZYWEPEJPMITM-LLVKDONJSA-N 275.312 -0.244 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1N 2188912276 JDWPCDNGGNFTGI-KCJUWKMLSA-N 282.296 -0.008 10 10 CBCE C[C@@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 2197951597 GHMLMLHXFXAFJS-TZMCWYRMSA-N 281.308 -0.016 10 10 CBCE Nc1cc(NS(=O)(=O)N2CC[C@@H](O)C2)ccc1O 2220579623 JPTMWARKDVXBBY-MRVPVSSYSA-N 273.314 -0.302 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCN=[N+]=[N-] 2227841170 HIRMAWRCLIUQKB-QMMMGPOBSA-N 270.293 -0.427 10 10 CBCE C[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1ccc(N)cc1 104136594 LXGMMAFKKCBDGT-SECBINFHSA-N 283.353 -0.081 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)[C@H](CO)C1)CCC(=O)N2 316125025 LWLQFIYKEOEPHB-TVQRCGJNSA-N 277.324 -0.057 10 10 CBCE CO[C@@H]1COCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 386905968 ZLHZVERRBMYCSG-SCZZXKLOSA-N 257.294 -0.064 10 10 CBCE O=C(NCC[C@]1(O)CCOC1)c1cc(O)nc(O)c1 403294251 LJKLZRWMKSCFIF-LBPRGKRZSA-N 268.269 -0.236 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1nc[nH]n1 701510779 XUUHFDASZIKDOE-ZETCQYMHSA-N 263.257 -0.276 10 10 CBCE CN(CCNCc1ccc(O)c(O)c1O)S(C)(=O)=O 709600551 BWBLUPQUENLKEE-UHFFFAOYSA-N 290.341 -0.216 10 10 CBCE O=C(N=S1(=O)CCNCC1)c1cc(O)nc(O)c1 712232666 DDMVWDPTOOUKFP-UHFFFAOYSA-N 271.298 -0.296 10 10 CBCE CNS(=O)(=O)NCC(=O)NCc1ccccc1O 774067374 ZGKDCNWMPGLDBD-UHFFFAOYSA-N 273.314 -0.938 10 10 CBCE Cc1ccc(C(=O)NC[C@@](C)(O)CO)c(O)c1O 801977887 YSLQJIQPPSXIST-GFCCVEGCSA-N 255.270 -0.121 10 10 CBCE CN1CC[C@@H](C(=O)NCCc2ccc(N)cc2)S1(=O)=O 843341854 IROVZRXIPIVCCG-LBPRGKRZSA-N 297.380 -0.039 10 10 CBCE CN(Cc1ccc(N)cc1)S(=O)(=O)N1CC(O)C1 1914136650 GZLZZQGYVUFJCI-UHFFFAOYSA-N 271.342 -0.378 10 10 CBCE C[C@H](CS(N)(=O)=O)NCc1cccc(O)c1O 1947445261 IZJZGEPOYGOQIX-SSDOTTSWSA-N 260.315 -0.136 10 10 CBCE C[S@@](=O)CCNC(=O)c1cc(O)c(O)c(O)c1 2015074443 HABOFFWJLXMYBD-QGZVFWFLSA-N 259.283 -0.088 10 10 CBCE N[C@H]1COCCN(C(=O)c2cc(O)nc(O)c2)C1 2034718086 XYNMHRYYKGRJGX-MRVPVSSYSA-N 253.258 -0.708 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2C[C@H](O)CO2)cc1 2052291836 IPEOAHMEQYCPIP-QWRGUYRKSA-N 254.286 -0.383 10 10 CBCE NC(=O)NCC1CN(C(=O)Cc2ccc(N)cc2)C1 2130742882 GLAPTOPATKOMNP-UHFFFAOYSA-N 262.313 -0.062 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2160716181 LFTFKCFBIAYEER-SCLYENHESA-N 278.308 -0.400 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@@H]1CO)NC(=O)CO2 2191552624 NBBXIVMQNPGXTQ-MRVPVSSYSA-N 278.312 -0.630 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@H]1C(=O)O)OCCO2 2191556689 VFKAJDGDXQCLCL-JTQLQIEISA-N 279.296 -0.097 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2ccc(F)cc2O)C[C@@H]1O 2204630775 ZLRUDMHOGJBCDH-WCQYABFASA-N 285.271 -0.086 10 10 CBCE NCCCN(CCO)S(=O)(=O)Cc1ccc(N)cc1 2266413829 NUOJKYAELCQUAP-UHFFFAOYSA-N 287.385 -0.258 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2289397066 FFWDZHMUMGIJNF-LMVZTGKYSA-N 284.331 -0.004 10 10 CBCE COc1ccc(N2CCNC[C@H]2C(N)=O)c([N+](=O)[O-])c1 88674116 BVMYQCABVZVRCZ-NSHDSACASA-N 280.284 -0.133 10 10 CBCE O=C(CN1C[C@@H](O)[C@@H](CO)C1)c1ccc(O)c(O)c1 317152464 COYLXTFAXPJZAU-NOZJJQNGSA-N 267.281 -0.435 10 10 CBCE N=c1nc([C@@H](N)Cc2ccc(O)c(O)c2)[nH]c(=N)[nH]1 382518250 SEHTUOARLMHSOK-LURJTMIESA-N 262.273 -0.650 10 10 CBCE O=C(N[C@@H]1CCO[C@@H]1C(=O)O)c1cc(O)nc(O)c1 702982770 TVWPFCMMTZZUQH-MUWHJKNJSA-N 268.225 -0.535 10 10 CBCE C[C@](NCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCCS(=O)(=O)C1 1912169254 IULBVFBKGJKZRG-PSASIEDQSA-N 289.361 -0.045 10 10 CBCE CCO[C@H]1CNCC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 1912199459 SLTLFACUJACGSA-ONGXEEELSA-N 270.337 -0.101 10 10 CBCE COc1cc(N)c(N2CC(S(N)(=O)=O)C2)cc1OC 1914969531 HZRNANBBNLEPFK-UHFFFAOYSA-N 287.341 -0.237 10 10 CBCE Nc1ccc(OCc2cn(C[C@H](O)CO)nn2)cc1 2122750117 BBTZBUYKGIETOB-NSHDSACASA-N 264.285 -0.208 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](O)[C@H](O)C2)cc1 2132169284 WZSLZXDVKLAUEZ-VXGBXAGGSA-N 266.297 -0.398 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2136336366 LZCVVIWFPNHQEW-WXVIEYFRSA-N 270.304 -0.252 10 10 CBCE Cc1ccc(CN2C[C@H](O)[C@H](O)[C@H]2C(=O)O)c(O)c1 2139756698 YBHZOZOPBILKMQ-SRVKXCTJSA-N 267.281 -0.309 10 10 CBCE NCc1ccc(N2CC([C@@H]3NC(=O)NC3=O)C2)cc1F 2184960810 UIFNGPQKCOWUNK-NSHDSACASA-N 278.287 -0.071 10 10 CBCE NC(=O)NCC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188924639 ROQALOMXJVWOEF-UHFFFAOYSA-N 281.268 -0.456 10 10 CBCE NCCC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188926224 YDXJKTULRHWYLV-SSDOTTSWSA-N 284.268 -0.275 10 10 CBCE COc1ccc(CN2CC(=O)NC[C@H]2C(=O)O)c(O)c1 2201038850 NKNUIAZXGVQMPL-JTQLQIEISA-N 280.280 -0.214 10 10 CBCE COc1ccc(N(CC(N)=O)CC(N)=O)c(C(=O)O)c1 2235949390 DDIFCORSOAZIEG-UHFFFAOYSA-N 281.268 -0.830 10 10 CBCE O=S1(=O)CC(O)(CNCc2cccc(F)c2O)C1 2256070410 XWULHCLLYXIJJP-UHFFFAOYSA-N 275.301 -0.220 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2COC)cc1 2333608321 UCPPYFPBHFIRPK-MCIONIFRSA-N 266.341 -0.037 10 10 CBCE CN(C)CCN[C@@H](C(N)=O)c1ccc(O)c(O)c1 37945911 AFBLILHEWGMUIF-LLVKDONJSA-N 253.302 -0.225 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CCCN2 123038975 WSMBBTQKJMJUJK-UHFFFAOYSA-N 262.313 -0.178 10 10 CBCE CN(C(=O)CN1CCOC[C@H]1C(N)=O)c1ccc(N)cc1 158834880 VQVNDLWGMXJFOG-LBPRGKRZSA-N 292.339 -0.582 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCO[C@@H](CO)C2)cc1 221055582 AJLZWUQJFGKAMR-GXTWGEPZSA-N 282.340 -0.298 10 10 CBCE CS(=O)(=O)CCNCc1ccc(O)c(O)c1O 226752336 XBZUHVQILWAVGN-UHFFFAOYSA-N 261.299 -0.062 10 10 CBCE CN(C[C@@H](O)COc1ccc(N)cc1)C(CO)CO 388348543 LHUXDUIMOCCLQA-GFCCVEGCSA-N 270.329 -0.707 10 10 CBCE COC(=O)[C@@H]1CC[C@H](C(=O)OCC(=O)C(C)=O)O1 859967778 QEEIIPTXEZEMNU-DTWKUNHWSA-N 258.226 -0.592 10 10 CBCE CC(=O)N1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 1148589801 LMPYRXOAWKJYFP-UHFFFAOYSA-N 266.253 -0.236 10 10 CBCE Nc1ccc(CCC(=O)NC[C@@H]2CNC[C@@H]2O)cc1 1876519843 QMIQKRBTQRIPIK-AAEUAGOBSA-N 263.341 -0.102 10 10 CBCE Oc1cccc(Cl)c1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046513831 IWMWNXOKOXIIGN-QTKMDUPCSA-N 273.716 -0.010 10 10 CBCE NCC1(CNC(=O)c2cccc(O)c2O)COC1 2056741135 UGWALHHUNXHPBJ-UHFFFAOYSA-N 252.270 -0.197 10 10 CBCE [N-]=[N+]=NCCNC1(C(N)=O)CC(n2cncn2)C1 2061742371 XSONLUZRLYFXMF-UHFFFAOYSA-N 250.266 -0.263 10 10 CBCE O=C1C[C@H](CNC(=O)c2cc(O)nc(O)c2)CN1 2066431912 YBBARSNXGSTGJK-LURJTMIESA-N 251.242 -0.641 10 10 CBCE COC[C@](O)(CO)CNC(=O)c1ccc(O)c(O)c1 2102391309 ZXTDPKSDISAKSU-GFCCVEGCSA-N 271.269 -0.803 10 10 CBCE COC[C@@](O)(CO)CNCc1cccc(OC)c1O 2102399216 LKMZXGQVCRDSPH-ZDUSSCGKSA-N 271.313 -0.140 10 10 CBCE Cc1cc(CN)ccc1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2127255733 ZCMAQEHZVFKQRT-OLZOCXBDSA-N 264.325 -0.235 10 10 CBCE Nc1ccc(OCC(=O)N2CC3(CNC(=O)N3)C2)cc1 2177687718 OXVBPSNRULHMER-UHFFFAOYSA-N 276.296 -0.459 10 10 CBCE CN1CCc2cc(CN[C@H]3CS(=O)(=O)C[C@H]3O)ccc21 2177840392 VYWBAIHDABLYJM-GXTWGEPZSA-N 296.392 -0.074 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2CCNC[C@@H]2O)cc1 2191654937 WOUGUBAMODYLKO-STQMWFEESA-N 279.340 -0.123 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)ccc1CN 2273781675 JSGMXTFOHQWNSO-UBHSHLNASA-N 266.341 -0.396 10 10 CBCE CCOc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2312393896 RCARXFMRIMPYLH-XQQFMLRXSA-N 253.298 -0.012 10 10 CBCE Cc1cccc(CNC(=O)[C@H](N)CS(C)(=O)=O)c1O 2335400835 NWSDNEOXXORPFK-SNVBAGLBSA-N 286.353 -0.311 10 10 CBCE CN1C(=O)C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1=O 88773746 BKPRZKOIMYZYHW-SNVBAGLBSA-N 297.336 -0.555 10 10 CBCE Cc1cccc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1O 693454726 PKAWTQORNRCPOG-QWRGUYRKSA-N 277.324 -0.281 10 10 CBCE NS(=O)(=O)C1(CNC(=O)c2ccc(O)c(O)c2)CC1 714002341 OISLHUBFVDDANA-UHFFFAOYSA-N 286.309 -0.351 10 10 CBCE NC(=O)NC1(C(=O)NCc2c(O)cccc2O)CC1 1635847744 UEQYCKYVJZXEOS-UHFFFAOYSA-N 265.269 -0.085 10 10 CBCE CN(C)CCNC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878794 NGZHFXNCGIDPLI-UHFFFAOYSA-N 275.316 -0.464 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@@H](O)[C@@H](O)C2)cc1 2132114219 BMGMTUNSJMCHTM-NEPJUHHUSA-N 265.313 -0.365 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1ccc(O)c(O)c1 2136096032 NNDGWBUJPQJVBX-VWYCJHECSA-N 269.253 -0.912 10 10 CBCE N[C@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CO)ccc21 2136339845 MXHQAZNGNXEFLP-XUXIUFHCSA-N 264.325 -0.465 10 10 CBCE CO[C@@H]1CNC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2148018287 CDQBJHKCTSCUTJ-GXFFZTMASA-N 280.324 -0.009 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC(CO)(C(=O)O)C1 2188874232 FGMMAIYSPCDYSI-UHFFFAOYSA-N 283.236 -0.678 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2COC[C@@H](C1)[C@H]2O 2189043610 RRMCWYLDTMYSLE-BZBKMWRSSA-N 280.280 -0.428 10 10 CBCE C[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@@H]1O 2197968703 VBFUMAUOZGLLID-SCRDCRAPSA-N 277.324 -0.040 10 10 CBCE COC(=O)C1(NCCN=[N+]=[N-])C[C@H]2COC[C@@H](C1)N2 2270347677 JEIZYKIDMCTBHN-SLHIUPAKSA-N 269.305 -0.051 10 10 CBCE NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc(N)cc1 37824570 IKEKKASBKDVUMU-GHMZBOCLSA-N 263.297 -0.742 10 10 CBCE CN1C(=O)C(=C/C=C2/OCCN2C)C(=O)N(C)C1=O 95930876 JZEGWOILOCWEHS-WEVVVXLNSA-N 265.269 -0.233 10 10 CBCE C[C@H](O)[C@H](NC(=O)Cc1ccc(N)cc1)C(N)=O 108261203 FMTUIYMJHZNQGU-CPCISQLKSA-N 251.286 -0.838 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CO[C@H]3CNC[C@@H]23)cc1 1876489489 RCXOMHISQFEQJX-XQQFMLRXSA-N 261.325 -0.086 10 10 CBCE Cn1[nH]c(CN)nc1=NC(=O)Cc1ccc(N)cc1 1876665003 KNYAULSRCIOOOM-UHFFFAOYSA-N 260.301 -0.541 10 10 CBCE O=C(CN(CCO)C1COC1)c1ccc(O)c(O)c1 1915521077 HUPRUWWATIPPIV-UHFFFAOYSA-N 267.281 -0.026 10 10 CBCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1(O)CNC1 1918731177 SYUUPHAGLNUGOQ-QMMMGPOBSA-N 266.297 -0.521 10 10 CBCE CC(=O)C(=O)[C@]1(O)COC[C@H]1NC(=O)OC(C)(C)C 1919245471 WDRLVWXMWBYTME-PELKAZGASA-N 273.285 -0.201 10 10 CBCE CNC[C@@H](O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1971931584 RXQLJWHJKPISQD-SNVBAGLBSA-N 268.313 -0.321 10 10 CBCE CN(CC(CO)CO)C(=O)Cc1ccc(N)cc1 1973452606 LQGOPZVACQDFRV-UHFFFAOYSA-N 252.314 -0.130 10 10 CBCE NC[C@H]1COC[C@@H]1NC(=O)c1cccc(O)c1O 2029840049 DQZQAMIZVFINCC-CBAPKCEASA-N 252.270 -0.199 10 10 CBCE CO[C@@H]1C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2131666987 UHHXRWIVIPZSEZ-YGOYTEALSA-N 266.297 -0.129 10 10 CBCE CN(C)C[C@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2132418604 LSCDPNOFXUITFP-QMMMGPOBSA-N 269.301 -0.578 10 10 CBCE O=C1N[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@@H]2NC1=O 2166791849 XWNGFIHGSXHBEA-UWVGGRQHSA-N 295.726 -0.156 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)cc1 2177947854 IHCDOHRQDIQMSW-FAQVLOEFSA-N 281.312 -0.507 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188911730 FEPNOLJZOXRQDL-LHLIQPBNSA-N 282.252 -0.824 10 10 CBCE C[C@H](NC(=O)[C@@H]1NCC[C@@H](O)[C@@H]1O)c1ccccc1O 2192628227 NVXYQZLVFKURPO-KKBFJBPOSA-N 280.324 -0.347 10 10 CBCE COC(=O)[C@@H](N)CS(=O)(=O)NCc1ccccc1O 2270550140 VNDLOKZCNWNEDF-VIFPVBQESA-N 288.325 -0.688 10 10 CBCE CNC(=O)[C@@H](C)NC(=O)COc1ccc(N)cc1 42559987 PRIJQUTWHZORBC-MRVPVSSYSA-N 251.286 -0.102 10 10 CBCE C[C@H](CO)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 122381485 SAWZNJWRUJHOAB-SCZZXKLOSA-N 268.313 -0.193 10 10 CBCE O=C1COc2cc([N+](=O)[O-])c(N3C[C@H](O)[C@@H](O)C3)cc2N1 236555462 JPASZEOJONHKJS-UWVGGRQHSA-N 295.251 -0.533 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCOC[C@H]2CO)cc1 253083008 XQEUQBQJKMBPNZ-CHWSQXEVSA-N 282.340 -0.298 10 10 CBCE CN1CCN[C@H](CNC(=O)c2cccc(O)c2O)C1 694870863 FZDJHXYTWYXTKL-SECBINFHSA-N 265.313 -0.269 10 10 CBCE CS(=O)(=O)CC1(NC(=O)c2cc(O)cs2)COC1 828231548 BFANHBADHRBVDF-UHFFFAOYSA-N 291.350 -0.003 10 10 CBCE O=C(C[C@H]1CC(=O)NC1=O)NCc1cccc(O)c1O 1471642773 ZWZPGGUOAVSTDG-QMMMGPOBSA-N 278.264 -0.233 10 10 CBCE NC(=O)[C@H]1CNCCN1C(=O)Nc1ccc(N)cc1 1876152358 DWPNNCVXYJMQMG-SNVBAGLBSA-N 263.301 -0.440 10 10 CBCE O=C(N[C@]1(C(=O)O)C[C@H](O)C1)c1cc(O)nc(O)c1 1879059779 QDMWLBAOCATIOQ-JCJUMFQOSA-N 268.225 -0.799 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC=CC(=O)O 1911829699 SSDXLUONICZNNM-VIFPVBQESA-N 280.280 -0.275 10 10 CBCE O=S1(=O)C[C@@H](NCc2cccc(O)c2O)[C@@H](O)C1 2057721030 RAKYGHRZIYYMDV-SCZZXKLOSA-N 273.310 -0.655 10 10 CBCE CO[C@@H]1CNC[C@@H]1Nc1c(N)cccc1C(N)=O 2071715681 DKJOTWHMTDRBOZ-VHSXEESVSA-N 250.302 -0.234 10 10 CBCE CN(Cc1ccccc1O)[C@@H]1CS(=O)(=O)C[C@@H]1O 2072451286 VHIKCKYLHJLPAN-PWSUYJOCSA-N 271.338 -0.018 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COC[C@@H]1CO 2090318072 MPGGVMLOXDBSTD-VHSXEESVSA-N 267.281 -0.236 10 10 CBCE C[C@@](O)(CCO)CNC(=O)COc1ccc(N)cc1 2107438742 PJMRZOIXYMTXJY-CYBMUJFWSA-N 268.313 -0.103 10 10 CBCE NCc1ccc(N2CCN(CCO)C(=O)C2)c(F)c1 2114626903 PVPJSTORWHOXFZ-UHFFFAOYSA-N 267.304 -0.075 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)C[C@H]1CO 2132349766 HBIOZBWBRHXPGU-JGVFFNPUSA-N 269.253 -0.629 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@@H](O)C2)cc1 2161397288 QUBXOWSCABVZME-FRRDWIJNSA-N 282.340 -0.564 10 10 CBCE C[C@H](N)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2201035423 JJDJHRMPZOQAMB-HFHOALDZSA-N 288.294 -0.113 10 10 CBCE CN[C@@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CO)ccc21 2201040621 ZTENOCUDDWKDPZ-APIJFGDWSA-N 278.352 -0.204 10 10 CBCE O=C(N[C@H]1CNC[C@@H](F)C1)c1cc(O)nc(O)c1 2219127004 OAACKXLZVBUDCT-JGVFFNPUSA-N 255.249 -0.077 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(C)c1 2289486900 BKOSHKAPNPLUKG-AEGPPILISA-N 280.368 -0.135 10 10 CBCE COc1ccc([C@H](C)N(CC(N)=O)CC(N)=O)c(O)c1 134012276 JPXFDCCJFNLQSH-QMMMGPOBSA-N 281.312 -0.266 10 10 CBCE O=C(O)C[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 231365139 YHPHJCJWSHTADP-LURJTMIESA-N 269.209 -0.245 10 10 CBCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(O)cc1O 697271673 YGDDLMZKVUWPHE-CMPLNLGQSA-N 287.337 -0.001 10 10 CBCE Cn1c(=O)ccn(CC(=O)NCCCCN=[N+]=[N-])c1=O 701274861 CVYPPENAESXTKN-UHFFFAOYSA-N 280.288 -0.246 10 10 CBCE Cn1cnn(CCC(=O)NCc2cccc(O)c2O)c1=O 1643812577 LQAGEKCTKBWRGE-UHFFFAOYSA-N 292.295 -0.301 10 10 CBCE NC[C@H]1COCCN1S(=O)(=O)Cc1ccc(N)cc1 1876460420 ASOUFHNAVBIVSM-LBPRGKRZSA-N 285.369 -0.242 10 10 CBCE COc1ccc(O)c([C@@H](C)NCC(O)(CO)CO)c1 1913786581 NXXRMLMNNWVTSK-SECBINFHSA-N 271.313 -0.233 10 10 CBCE NC1(CNC(=O)Cc2ccc(O)c(O)c2)COC1 2027479633 IREWTSWYLDAOGD-UHFFFAOYSA-N 252.270 -0.516 10 10 CBCE NC(=O)[C@H](c1c(O)cccc1F)N1CCNCC1 2042608323 QJPVEFDLKNAMRK-NSHDSACASA-N 253.277 -0.037 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COC[C@@H]2N)cc1 2071690344 PVTFSUVJHQYHMH-QWRGUYRKSA-N 271.342 -0.586 10 10 CBCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)C(=O)O 2120348611 YWZAKAUBRRZVOU-UPONEAKYSA-N 269.253 -0.410 10 10 CBCE OCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1 2127263041 FPCKCKCFXUMELT-RYUDHWBXSA-N 269.272 -0.371 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@H](O)C3)ccc21 2132134372 GNCFNOAHDFZUOU-UTUOFQBUSA-N 263.297 -0.430 10 10 CBCE O=C1CN(Cc2ccc(O)cc2O)[C@H](C(=O)O)CN1 2136361864 LRJIVSLYRXUDAS-VIFPVBQESA-N 266.253 -0.517 10 10 CBCE CN1CCNC[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2191644021 IXYZBVYILBGUIE-CYBMUJFWSA-N 298.412 -0.408 10 10 CBCE C[C@@]1(CNC(=O)c2cc(O)nc(O)c2)CNCCOC1 2199840194 IISLZGJTDIZXQT-ZDUSSCGKSA-N 281.312 -0.151 10 10 CBCE COc1cc(N2CCN(CC(N)=O)CC2)ccc1CN 2204558108 YDGXXZQLGGBWNN-UHFFFAOYSA-N 278.356 -0.239 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@H](O)[C@@H]2CF)cc1 2205607219 FAJHQNDTLFUFRD-GMXVVIOVSA-N 283.303 -0.417 10 10 CBCE COC[C@@H](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 71272806 DNIVCZZYSXKSOS-UWVGGRQHSA-N 284.312 -0.909 10 10 CBCE Nc1ccc2c(c1)CC(=O)N2C(=O)C1(CO)COC1 258839266 SPSPIJPUSNNMGQ-UHFFFAOYSA-N 262.265 -0.307 10 10 CBCE O=C(NC(C(=O)O)C(=O)O)c1ccc(O)c(O)c1 310858496 NKVJICHZPHRTJE-UHFFFAOYSA-N 255.182 -0.635 10 10 CBCE NC(=O)CC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 382228946 XXWXYBWJSBRSJI-UHFFFAOYSA-N 283.353 -0.094 10 10 CBCE COc1ccc(O)c(CN2CCOC[C@]2(CN)CO)c1 693977959 KYOFSFWEVBPNSA-AWEZNQCLSA-N 282.340 -0.077 10 10 CBCE Cn1cnn(CCC(=O)NCc2ccc(O)cc2O)c1=O 1469158554 BAKRNYIIWLHWSM-UHFFFAOYSA-N 292.295 -0.301 10 10 CBCE O=C(N[C@@H]1COC[C@H]1CO)c1cccc(O)c1O 2029857489 LVBWBXFUBJLKPV-VXNVDRBHSA-N 253.254 -0.165 10 10 CBCE CC(=O)OC[C@H]1O[C@H](O)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1O 2081158792 DYVSHJMKTCPJKK-IGORNWKESA-N 289.244 -0.762 10 10 CBCE O=C1OCCN1CCn1ccc2c(c1=O)CNCC2 2094403882 DGWLBRNZHKACDA-UHFFFAOYSA-N 263.297 -0.054 10 10 CBCE C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1O)c1c(O)cccc1O 2121364264 NKHQOBACINOGMR-DKCNOQQISA-N 287.337 -0.094 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)[C@@H](O)C1 2132348742 RIZVDDXHIVIAJM-XCBNKYQSSA-N 269.253 -0.629 10 10 CBCE O=C(NCCc1cnn[nH]1)c1cc(O)c(O)c(O)c1 2132410269 LRACQCPLMCCTHG-UHFFFAOYSA-N 264.241 -0.106 10 10 CBCE N[C@@H]1CC(C(=O)NCCc2ccc(O)c(O)c2)=C[C@H]1O 2188028150 XJVJFQTULVGWLH-ZYHUDNBSSA-N 278.308 -0.225 10 10 CBCE NC[C@@H]1CO[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188908193 AOTBJFOUNKXPBQ-VXNVDRBHSA-N 282.296 -0.103 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@H](O)[C@H]3CF)ccc2[C@@H]1O 2205611973 MVFVNZJTUVDKLI-NOOOWODRSA-N 282.271 -0.448 10 10 CBCE NCCCN(CCO)C(=O)Cc1ccc(O)c(O)c1 2266414516 VIGAUBVWTPWXLL-UHFFFAOYSA-N 268.313 -0.190 10 10 CBCE CN(C)CC1(O)CN(C(=O)c2cc(O)nc(O)c2)C1 2343645707 XYDHCRAKBMEUKZ-UHFFFAOYSA-N 267.285 -0.759 10 10 CBCE O=[N+]([O-])c1cc(CNC[C@@H](O)CO)cc(O)c1O 83429529 VTFFAIOEXILVDX-SSDOTTSWSA-N 258.230 -0.551 10 10 CBCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCS(=O)(=O)C1 90260299 JJFFRMNIEVCOJI-MRVPVSSYSA-N 261.307 -0.681 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCS(=O)(=O)C1 170223377 JLMMSGAQEQMPRD-QMMMGPOBSA-N 286.309 -0.248 10 10 CBCE NC(=O)[C@@H](O)CNC(=O)CCOc1ccc(N)cc1 228478109 SLRLXDRIKFRBBW-JTQLQIEISA-N 267.285 -1.000 10 10 CBCE O=C(O)CNC(=O)CNC(=O)c1ccc(O)c(O)c1 236421022 LWJIIFLLWCVLKO-UHFFFAOYSA-N 268.225 -0.972 10 10 CBCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1=O 1148580537 GYSGUNFCJMGONL-UHFFFAOYSA-N 266.253 -0.282 10 10 CBCE O=C(O)[C@@H]1C[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 1866302730 BEKCGMGIPSWARM-BQBZGAKWSA-N 283.236 -0.537 10 10 CBCE O=c1c2c(ccn1C[C@H]1COCCO1)CCNC2 2033371467 RNZSPLYEOYYTJG-NSHDSACASA-N 250.298 -0.091 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H]2C[C@@H](O)C[C@H]21 2185336438 FJBPVQQQSJRAJJ-IVZWLZJFSA-N 280.280 -0.143 10 10 CBCE NC(=O)N[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188874911 MCOQLSXPAQVFOE-ZETCQYMHSA-N 281.268 -0.314 10 10 CBCE O=C1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]2CC[C@H]2N1 2188916612 QPKDFJFEQQSYCZ-SFYZADRCSA-N 278.264 -0.094 10 10 CBCE Cc1cccc(CNC(=O)CN2CCNCC2=O)c1O 2204608067 ZPLSUXRAEHXUOT-UHFFFAOYSA-N 277.324 -0.251 10 10 CBCE O=C1Nc2cc(N3CC(O)(CCO)C3)ccc2[C@H]1O 2270672644 XMBXABULAAHALS-LLVKDONJSA-N 264.281 -0.394 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2271156572 SIJUBQHAUUXCKA-WLTAIBSBSA-N 267.281 -0.095 10 10 CBCE Oc1ccc([C@@H](O)CN2CCNCC2)c(O)c1O 71452026 VIEINYJLVXQWTR-JTQLQIEISA-N 254.286 -0.258 10 10 CBCE NCCC(=O)NCc1cc(O)c(O)c([N+](=O)[O-])c1 83408352 YYLZIDBSOJUKHZ-UHFFFAOYSA-N 255.230 -0.029 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(O)nc2=O)[C@H](F)[C@H]1O 256829683 SNWCOSVWPQSOEU-JAGXHNFQSA-N 287.207 -0.824 10 10 CBCE Cc1cc(CO)ccc1N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 693462404 MALJHCYOXKXDJO-PHIMTYICSA-N 277.324 -0.490 10 10 CBCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H](O)CO 698962496 SVSVNFKJDZCRQI-GZMMTYOYSA-N 274.342 -0.570 10 10 CBCE NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc(O)c(O)c1 1566359484 FBWJHRFBUXYMRJ-SFYZADRCSA-N 250.254 -0.165 10 10 CBCE OCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2063745782 HBCAVMQVDZIPLH-VXGBXAGGSA-N 251.282 -0.510 10 10 CBCE C[C@H](NCC(CO)(CO)CO)c1ccc(O)cc1O 2123210252 MWHUUHGHOHOPNJ-VIFPVBQESA-N 271.313 -0.288 10 10 CBCE NS(=O)(=O)CCCNC(=O)c1cc(O)c(O)c(O)c1 2132348677 QJMGDMPVKVPQGS-UHFFFAOYSA-N 290.297 -0.788 10 10 CBCE N[C@@H]1C[C@@H]2CN(Cc3ccc(O)c(O)c3)CCN2C1=O 2173417863 GMRNLAPSQFTZNT-GHMZBOCLSA-N 277.324 -0.158 10 10 CBCE CN(C(=O)CN1CC[C@@H](O)[C@H](O)C1)c1ccc(N)cc1 2188624076 QSJPCFBDZWPXDW-CHWSQXEVSA-N 279.340 -0.341 10 10 CBCE C[C@@]1(CO)C[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188868098 LYJZQHSACKJQRN-SDBXPKJASA-N 283.280 -0.239 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2273651383 NXPDWOHKHYYHMJ-FPMFFAJLSA-N 266.341 -0.396 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)ccc21 2331774786 GNCFNOAHDFZUOU-GRYCIOLGSA-N 263.297 -0.430 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H](C(=O)O)C1 62136016 OKRFXRHHKKVZIS-ZJUUUORDSA-N 294.307 -0.099 10 10 CBCE Oc1n[nH]c(CNCc2ccc(O)c(O)c2O)n1 392481762 VHRRAKXPVJWFGI-UHFFFAOYSA-N 252.230 -0.083 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN2C[C@H](O)C[C@@H]2C1 405317661 PXAYTNIYOOBZTN-NXEZZACHSA-N 279.296 -0.616 10 10 CBCE CN(C)C[C@@H](CO)NC(=O)Cc1ccc(N)cc1 716702962 USJCUBRZJKBMBX-LBPRGKRZSA-N 251.330 -0.150 10 10 CBCE Nc1ccc(OCC(=O)NCC2(CO)COC2)cc1 717628841 MIANHWYWNWDRRT-UHFFFAOYSA-N 266.297 -0.227 10 10 CBCE COC(=O)CN(C)CCNC(=O)Cc1ccc(O)c(O)c1 1630711244 ILGVCMOVXHBEQN-UHFFFAOYSA-N 296.323 -0.139 10 10 CBCE Nc1ccc(OCC(=O)NC[C@]2(O)CCNC2)cc1 1876522490 BXPHLXAGFRFIIS-ZDUSSCGKSA-N 265.313 -0.512 10 10 CBCE CN1CC(=O)N(CC(=O)N2CC(N=[N+]=[N-])C2)C1=O 1912155416 PYMYOGVPJSNZSM-UHFFFAOYSA-N 252.234 -0.599 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCNC[C@H]1CO 2034686266 INSMMBXSQLXCMZ-VIFPVBQESA-N 252.270 -0.496 10 10 CBCE C[C@@H](CS(N)(=O)=O)NCc1ccc(O)c(O)c1O 2035455013 SVHJMNBGQRLZOM-LURJTMIESA-N 276.314 -0.430 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)c1ccc(O)c(O)c1 2046405954 OJKRAHXPOIXDHO-XKSSXDPKSA-N 253.254 -0.288 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2081008073 DYTSCFGDCUQNMI-SRVKXCTJSA-N 272.732 -0.299 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(N)c1 2081010246 UNXRSNAMZIXFQQ-WOPDTQHZSA-N 254.286 -0.820 10 10 CBCE Nc1ccc(NC(=O)N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2136337823 ITCKJCDPZQGLII-DCAQKATOSA-N 267.285 -0.801 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@@H](O)[C@@H]1CF 2140657469 GHSKHBXEYFQASH-SWPVVBRQSA-N 271.244 -0.387 10 10 CBCE Nc1ccc(OCCC(=O)NCCn2cnnn2)cc1 2146591383 OMWSULQANXRIDJ-UHFFFAOYSA-N 276.300 -0.159 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2(c3nn[nH]n3)CC2)cc1 2151062080 VBVNWUZDVFHPBW-UHFFFAOYSA-N 294.340 -0.109 10 10 CBCE COc1nc(=N)[nH]c(=NCCOc2ccc(N)cc2)[nH]1 2173901348 UZZKNITTZJJUIL-UHFFFAOYSA-N 276.300 -0.212 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1O 2188868492 SABLYJBRGDNILO-KWQFWETISA-N 282.296 -0.450 10 10 CBCE CC(C)(C)OC(=O)NOCCOc1nnc(=N)[nH]n1 2209011707 URUFZSJEIJJOPF-UHFFFAOYSA-N 272.265 -0.486 10 10 CBCE CO[C@H](CN)CNC(=O)c1cc(O)c(O)c(O)c1 2263471903 ODSUOJRBBQMVQE-SSDOTTSWSA-N 256.258 -0.493 10 10 CBCE CCN(CC)CCNC=C1C(=O)NC(=O)N(C)C1=O 2297456072 UVQGIMVKTKFHBB-UHFFFAOYSA-N 268.317 -0.490 10 10 CBCE C[C@@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(O)cc1O 2355674572 YGYMDXJBSWRBNE-IMWABMGISA-N 283.324 -0.149 10 10 CBCE CC[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459759 KEPMWDPIGAYYQV-ZJUUUORDSA-N 268.313 -0.145 10 10 CBCE CCNCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 44651131 OZKPBGVKDNVBEE-VIFPVBQESA-N 282.296 -0.181 10 10 CBCE C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)c1nnn[nH]1 44932458 AVBRJHMANABZGK-SVRRBLITSA-N 292.299 -0.642 10 10 CBCE Nc1ccc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 82698692 ITVRCULBWCOSNB-VIFPVBQESA-N 266.253 -0.145 10 10 CBCE COc1cc(N)c(N2CC(=O)NC(=O)C2)cc1OC 214164022 XYKZSVYTCOLKEY-UHFFFAOYSA-N 265.269 -0.251 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCS(=O)(=O)CC1 226995694 UULPAGURRKQTQZ-UHFFFAOYSA-N 271.294 -0.032 10 10 CBCE COCCNC(=O)CCNC(=O)c1ccc(O)c(O)c1 227021269 YWNNKNIJLHQMAE-UHFFFAOYSA-N 282.296 -0.020 10 10 CBCE COC[C@]1(CNC(=O)c2cc(O)nc(O)c2)CCCN1 312669075 XHGLJXBTCJIGNG-CYBMUJFWSA-N 281.312 -0.009 10 10 CBCE C[C@@H]1[C@@](NCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 379882491 BVPYICNHKKQSFW-HTRCEHHLSA-N 261.307 -0.683 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)C[C@H]1CO 698139153 SKNPDBXUUALYOC-JGVFFNPUSA-N 254.242 -0.940 10 10 CBCE CC(=O)C(=O)COC(=O)Cn1nc2n(c1=O)CCCC2 845236027 LXWRKBVYCJMQQF-UHFFFAOYSA-N 281.268 -0.918 10 10 CBCE Cc1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)c(O)c1O 1320792730 GUSBBUKGDWMGSX-QMMMGPOBSA-N 278.264 -0.059 10 10 CBCE O=C(Cn1ncn2nccc2c1=O)NCc1ccccc1O 1595792980 QTVGOEDNHPETAK-UHFFFAOYSA-N 299.290 -0.087 10 10 CBCE CS(=O)(=O)CCCn1ccc2c(c1=O)CNCC2 2033379613 RYIDNFGGPIGGBI-UHFFFAOYSA-N 270.354 -0.071 10 10 CBCE CO[C@H]1CNC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2049782510 JSUHVLMBVVHXKX-GWOFURMSSA-N 254.330 -0.124 10 10 CBCE C[C@H](O)CN(C[C@H](C)O)C(=O)c1cc(O)nc(O)c1 2103484568 NBEISTNKSXAHNB-YUMQZZPRSA-N 270.285 -0.303 10 10 CBCE O=C(N[C@H](CO)CCCO)c1cc(O)c(O)c(O)c1 2132348769 RVJOONVPFZLFHQ-QMMMGPOBSA-N 271.269 -0.333 10 10 CBCE N[C@H]1C[C@H]2CN(Cc3ccc(O)c(O)c3)CCN2C1=O 2173417865 GMRNLAPSQFTZNT-QWRGUYRKSA-N 277.324 -0.158 10 10 CBCE Cn1[nH]c(CCN)nc1=NC(=O)Cc1ccc(N)cc1 2191889179 UQIRCRHRJGSVBP-UHFFFAOYSA-N 274.328 -0.498 10 10 CBCE Nc1ccc(OCC(=O)NC[C@]2(O)CCCNC2)cc1 2201298974 MTXPRQBGHOENIQ-AWEZNQCLSA-N 279.340 -0.122 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]21 2201313553 NCEAKSQHBVYKJT-PTEHBNRSSA-N 274.324 -0.130 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC2(CNC2)C1 2208618396 VLYRHWKARWVEFV-UHFFFAOYSA-N 264.281 -0.088 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@](O)(CO)[C@@H](O)C1 2234108582 VMKDUUKDFQQPDB-GXFFZTMASA-N 283.280 -0.972 10 10 CBCE COc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(CO)c1 2236003042 PJDNJOJPXKBDEG-KBPBESRZSA-N 283.324 -0.254 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2273786814 KAZUZCMYPZJKNG-XBFCOCLRSA-N 266.341 -0.444 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@]23CO[C@@H](C2)[C@@H](N)C3)cc1 2281195003 MKDRETQSZXBLAD-RWMBFGLXSA-N 297.380 -0.053 10 10 CBCE O=C(NCCOC1CNC1)c1cc(O)nc(O)c1 2315578778 BWKANHZOFIXGLG-UHFFFAOYSA-N 253.258 -0.789 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)[C@@H]2COC[C@@H]21 2329203167 COZUJEZAULFALE-VDDIYKPWSA-N 265.265 -0.071 10 10 CBCE COc1ccc(CNCCS(N)(=O)=O)c(O)c1 40906156 ADCLRUXMSKZOPK-UHFFFAOYSA-N 260.315 -0.221 10 10 CBCE CN(CCC(=O)O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 43601151 RTZAAGZGWCMADZ-VIFPVBQESA-N 282.296 -0.099 10 10 CBCE CN(C[C@@]1(O)CCNC1)C(=O)c1ccc(O)c(O)c1 234292735 VUYAFMKPJGQFOY-CYBMUJFWSA-N 266.297 -0.106 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@]2(CO)CCOC2)cc1 393893479 BFJFVKJLRPMDSK-LBPRGKRZSA-N 286.353 -0.160 10 10 CBCE CCn1cc(C(=O)C(=O)OCC(=O)C(C)=O)cn1 808531039 JNLHYRLRQVQTOW-UHFFFAOYSA-N 252.226 -0.213 10 10 CBCE NCCOCCCNC(=O)c1cc(O)nc(O)c1 2049113366 JILPGMWTWXESQM-UHFFFAOYSA-N 255.274 -0.412 10 10 CBCE CO[C@H]1C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2131666975 UHHXRWIVIPZSEZ-AUTRQRHGSA-N 266.297 -0.129 10 10 CBCE NCC1(CNC(=O)c2cc(O)c(O)c(O)c2)COC1 2132407165 NLDQUBZDDUVNJL-UHFFFAOYSA-N 268.269 -0.492 10 10 CBCE O=C(O)CN1CC(CNC(=O)c2ccc(O)c(O)c2)C1 2169330718 IWINFLGRDUXCCH-UHFFFAOYSA-N 280.280 -0.156 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4NC(=O)O[C@H]4C3)ccc21 2176915870 CIFVWDMLFAWHCL-DCAQKATOSA-N 274.280 -0.065 10 10 CBCE CN1CCNC[C@H]1CNC(=O)COc1ccc(N)cc1 2191746438 WSKHLJKXZUQCGY-LBPRGKRZSA-N 278.356 -0.333 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(CN)c1 2235976421 FVEZHGOKJJFLMT-OLZOCXBDSA-N 280.324 -0.535 10 10 CBCE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccc(O)c(F)c1 2270522258 SRTGMTFRJCIIRG-MRVPVSSYSA-N 292.288 -0.227 10 10 CBCE NCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486839 DYMYKKHZEWCMFZ-SSDOTTSWSA-N 254.242 -0.832 10 10 CBCE CN1C(=O)C[C@@H](NC(=O)Cc2ccc(N)cc2)C1=O 88773479 CIYHCBMYQJTJRM-SNVBAGLBSA-N 261.281 -0.315 10 10 CBCE O=C1Cc2cc(N3CCNCC3)ccc2N1CCO 259406811 ISDPDMYUNCXGDD-UHFFFAOYSA-N 261.325 -0.022 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@](O)(CO)C3)ccc21 313725323 KWMSVSINVLJKAR-JSGCOSHPSA-N 277.324 -0.167 10 10 CBCE CN(Cc1ccccc1O)C(=O)CNS(C)(=O)=O 383770941 USYNHKZLFCSVIR-UHFFFAOYSA-N 272.326 -0.100 10 10 CBCE C[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C[C@H]1O 388136111 ZRMGSNGXCPGEBT-GMOODISLSA-N 280.324 -0.193 10 10 CBCE COc1ccc(CNC[C@@H](O)CNC(=O)C(N)=O)cc1C 1699058723 KLLVEQPAGSGYTH-LLVKDONJSA-N 295.339 -0.944 10 10 CBCE NC[C@@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 1876411622 SGJOUKHGOVLQPM-RYUDHWBXSA-N 285.369 -0.508 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2CNC[C@@H]2O)cc1 1876665504 ODANYVCGDDQIDA-RYUDHWBXSA-N 265.313 -0.513 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2ccc(O)c(O)c2)C1 2057721754 WCRNLCQGUXLLSF-KWQFWETISA-N 273.310 -0.655 10 10 CBCE CO[C@H]1C[C@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 2109020499 SLFZPGCFLSUMBO-IUCAKERBSA-N 268.269 -0.285 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(F)c1 2127700973 LZOSNGVYOGYEIK-JTQLQIEISA-N 266.276 -0.926 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H]3C(N)[C@H]3C2)cc1 2191764580 XBMBDKVZRYMTCG-RYUDHWBXSA-N 297.380 -0.134 10 10 CBCE Cc1cc([C@@H](C)N)ccc1N1CCNC(=O)[C@@H]1C(N)=O 2240746301 WAPXACIHUJDIDJ-SKDRFNHKSA-N 276.340 -0.195 10 10 CBCE CC(=O)NCCNC(=O)COc1ccc(N)cc1 38055423 YMCIUDRVWDFOBR-UHFFFAOYSA-N 251.286 -0.100 10 10 CBCE CCOC(=O)CNC(=O)[C@@H](N)c1cc(O)ccc1O 83496900 GTVPCRBOKZGUEP-NSHDSACASA-N 268.269 -0.223 10 10 CBCE N[C@H](c1nnc(CNCC(=O)O)o1)c1ccccc1O 83585115 QHNUPMSIOHOVFH-NSHDSACASA-N 278.268 -0.003 10 10 CBCE Nc1ccc(OCC(=O)NCCc2nnn[nH]2)cc1 95175643 BNOQHSMHOALEHH-UHFFFAOYSA-N 262.273 -0.480 10 10 CBCE CNC[C@@H]1CN(c2ccc3c(c2)OCO3)CC(=O)N1 216976353 ATDJIFDZAUJWGZ-SECBINFHSA-N 263.297 -0.061 10 10 CBCE O=C(N[C@@H]1COC[C@H]1O)[C@H]1CNc2ccccc2N1 323260350 BTHUMIISCSXHBR-IJLUTSLNSA-N 263.297 -0.232 10 10 CBCE CNC(=O)C[S@@](=O)CC(=O)N(C)c1ccc(N)cc1 388889357 IWAUQIIQMUCOBX-LJQANCHMSA-N 283.353 -0.274 10 10 CBCE NC[C@]1(CO)COCCN1C(=O)c1ccc(O)c(O)c1 694633863 CGVUUVLPQFDQBS-ZDUSSCGKSA-N 282.296 -0.740 10 10 CBCE Cn1cnn(CC(=O)NCc2cc(O)ccc2O)c1=O 1153885047 JSTTVRVDFCAWMM-UHFFFAOYSA-N 278.268 -0.691 10 10 CBCE CNC(=O)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1447552473 COPBGDNIJNQUSZ-GFCCVEGCSA-N 294.307 -0.386 10 10 CBCE NC(=O)[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCOC1 1643863401 CMFOPZBUSRZAHA-CYBMUJFWSA-N 280.280 -0.599 10 10 CBCE O=[N+]([O-])c1cc2c(cc1N1C[C@@H](O)[C@H](O)C1)OCCO2 1917256554 JISPHYDAXKIKCP-NXEZZACHSA-N 282.252 -0.092 10 10 CBCE OCC(CO)(CO)NCc1ccc(Cl)cc1O 1942498179 VNFVCPGGQDUIHM-UHFFFAOYSA-N 261.705 -0.149 10 10 CBCE COC(=O)CS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2089661190 WZTFJWMPQBRGIP-UHFFFAOYSA-N 288.277 -0.132 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)cc1C 2108831931 NNALQGVWBAMFEQ-ZMJPVWNMSA-N 267.325 -0.052 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1c(N)cccc1C(N)=O 2207462058 TYITWDASHFBJPK-UWVGGRQHSA-N 299.352 -0.408 10 10 CBCE NC(=O)[C@@H]1C[C@H]1C(=O)NCCOc1ccc(N)cc1 2268352043 IANFFQDMSJWGEJ-GHMZBOCLSA-N 263.297 -0.115 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)[C@H]2COC[C@H]21 2329205343 PBTUZHAZMTZLPZ-IQJOONFLSA-N 265.265 -0.071 10 10 CBCE CN1C(=N)N(C)C(=O)C(=CNCCCCCC(=O)O)C1=O 19723130 KVHYWWDLXUGEBG-UHFFFAOYSA-N 296.327 -0.030 10 10 CBCE COC[C@@H](O)CN(C)C[C@H](O)COc1ccc(N)cc1 42483220 IITMFGYVBYUYKY-STQMWFEESA-N 284.356 -0.052 10 10 CBCE CN1C(=O)COc2ccc(N(C)C(CO)CO)cc21 258637160 FIRRLKPPPMMYBR-UHFFFAOYSA-N 266.297 -0.169 10 10 CBCE C[C@H](CNC(=O)[C@H]1CNc2ccccc2N1)S(N)(=O)=O 398440673 XTCSNDDTEFGUCL-LDYMZIIASA-N 298.368 -0.314 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1cc(F)cc(F)c1O 708411471 ANDNAVZPBBWTBX-UHFFFAOYSA-N 273.239 -0.557 10 10 CBCE CN[C@H](C)c1ccc(N(CC(N)=O)CC(N)=O)c(F)c1 723172167 YRCDRSUCQCJEBZ-MRVPVSSYSA-N 282.319 -0.117 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H](O)[C@H](O)[C@H]1CO 2081037372 XVAORMANIRKAFL-FRRDWIJNSA-N 252.314 -0.644 10 10 CBCE CN(C[C@H]1COCCN1)C(=O)c1cc(O)nc(O)c1 2104236047 CAMPCOVMLJVIFN-VIFPVBQESA-N 267.285 -0.447 10 10 CBCE N[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1CO 2122380302 ZBYNKJLMWRCJOX-WPRPVWTQSA-N 266.297 -0.121 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@H]2O 2184738221 QWCSENORUSHCRR-VXGBXAGGSA-N 275.308 -0.544 10 10 CBCE O=C(N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1cc(O)c(O)c(O)c1 2188911917 GOFLQTYRHLPVOZ-LYIWLLOFSA-N 299.304 -0.424 10 10 CBCE NC(=S)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188914284 ZNFVXGLOXNTTQN-VIFPVBQESA-N 298.320 -0.070 10 10 CBCE Nc1ccc(OCCCN2CCNC(=O)C2=O)cc1 2343031502 MLPHADUBRHXZOJ-UHFFFAOYSA-N 263.297 -0.004 10 10 CBCE [N-]=[N+]=N[C@H]1C[C@H](N2CCC(=O)NC2=O)O[C@@H]1CO 38338213 OXZUUXUKPNYEHG-SHYZEUOFSA-N 255.234 -0.286 10 10 CBCE Nc1ccc(CCC(=O)NCC(=O)NCC(=O)O)cc1 158135012 KPRGPIZJCDBGED-UHFFFAOYSA-N 279.296 -0.482 10 10 CBCE CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(N)cc1 159360170 YVYFDFOMKGBENB-GFCCVEGCSA-N 292.339 -0.346 10 10 CBCE COc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(N)c1 386674810 PBBKLVSNSUQNRL-DTORHVGOSA-N 261.281 -0.014 10 10 CBCE O=C1CC[C@H](NC(=O)c2cc(O)nc(O)c2)CCN1 396642446 HKNQUIBATGEKEU-QMMMGPOBSA-N 265.269 -0.109 10 10 CBCE C[C@H](CNC(=O)[C@@H]1CNc2ccccc2N1)S(N)(=O)=O 398440671 XTCSNDDTEFGUCL-KCJUWKMLSA-N 298.368 -0.314 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)C[C@H]1CO 698130801 QRXDKXQCPNNNLB-JGVFFNPUSA-N 253.254 -0.335 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1cccc(F)c1O 720535506 AJXSDEVLTVGTDH-UHFFFAOYSA-N 283.303 -0.175 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(N)cc1 720586961 OLUYJGSDRIDIAN-UHFFFAOYSA-N 250.302 -0.433 10 10 CBCE CO[C@@H]1CNC[C@H]1S(=O)(=O)NCc1ccccc1O 722218987 ISFHGWARGRLZDW-VXGBXAGGSA-N 286.353 -0.202 10 10 CBCE Cc1ccc(C(=O)NCc2nc(CO)n[nH]2)c(O)c1O 1557594127 KPHWVCCFFZXXMM-UHFFFAOYSA-N 278.268 -0.053 10 10 CBCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](CO)NC(N)=O)c1 1630365878 HAGWYNYDADIJDL-XVKPBYJWSA-N 297.311 -0.393 10 10 CBCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CC(=O)NC1=O 1631467726 QMIDJUXYOVCCFM-SECBINFHSA-N 292.291 -0.096 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCOC[C@H]2N)cc1 1876470665 DZFQUUYMEJRWFC-VXGBXAGGSA-N 285.369 -0.196 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)C(=O)NCCN 1877545062 LCAYELUGPCIJJN-SECBINFHSA-N 265.313 -0.014 10 10 CBCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@H]1CCCS(=O)(=O)C1 1912169257 IULBVFBKGJKZRG-WPRPVWTQSA-N 289.361 -0.045 10 10 CBCE COc1ccc([C@H]2CS(=O)(=O)NCCN2)c(O)c1 1952450573 HOZSNTNUXCZCSB-SNVBAGLBSA-N 272.326 -0.036 10 10 CBCE N[C@]12C[C@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 2068618911 UVQAACONDVWZNC-MADCSZMMSA-N 250.254 -0.023 10 10 CBCE Cc1cc(N2CC3(C2)OC[C@@H](O)[C@H]3O)ccc1CN 2127250708 JRFIHECVWSKTAF-CHWSQXEVSA-N 264.325 -0.235 10 10 CBCE CN[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1OC 2146742986 WZHHDZPNZBFPRW-ZJUUUORDSA-N 281.312 -0.058 10 10 CBCE NC[C@@]1(O)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 2157528591 KFULGPHOABQYSZ-AWEZNQCLSA-N 280.324 -0.048 10 10 CBCE CONCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2158395470 CNTCURRCHCCTNO-MRVPVSSYSA-N 284.268 -0.639 10 10 CBCE COc1cc(N)c(N2CC(OC)(C(N)=O)C2)cc1OC 2161185721 RMKBYYIPDKHEHA-UHFFFAOYSA-N 281.312 -0.024 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3C(N)[C@@H]3C2)cc1 2191764581 XBMBDKVZRYMTCG-VXGBXAGGSA-N 297.380 -0.134 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(C(=O)COc3ccc(N)cc3)C[C@H]21 2201312126 XIPSHFXXELBBEC-PTEHBNRSSA-N 275.308 -0.163 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)N(C)CCN=[N+]=[N-] 2227845525 WQUMCRGIWQRQDA-QMMMGPOBSA-N 270.293 -0.475 10 10 CBCE O=C(O)C=CC(=O)NCCN1C(=O)CSC1=S 2320656245 BCKYSCOFTDEONY-UHFFFAOYSA-N 274.323 -0.396 10 10 CBCE O=C(NCC[C@H](O)CCO)c1ccc(O)c(O)c1 2326771345 AXVHQPIHIBPTRJ-VIFPVBQESA-N 255.270 -0.039 10 10 CBCE CS(=O)(=O)Nc1ccc(O)cc1S(N)(=O)=O 95720726 DWLXKTHJENOCBK-UHFFFAOYSA-N 266.300 -0.589 10 10 CBCE CN(C)CCN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 111137299 OHFZJCAPHNCPEE-NSHDSACASA-N 281.356 -0.012 10 10 CBCE O=C1CN[C@H](c2nc(-c3ccc(O)c(O)c3)no2)CN1 236581152 OMVYSZXZMPCQJY-ZETCQYMHSA-N 276.252 -0.092 10 10 CBCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])c1nnn(C)n1 697247945 GSCUXDSQODXHQE-LURJTMIESA-N 254.254 -0.286 10 10 CBCE CN(Cc1nnnn1C)C(=O)c1cccc(O)c1O 707374944 WAUXHJSVDOKWTP-UHFFFAOYSA-N 263.257 -0.107 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H](NCCO)C1 708578531 QAUARDCMMJXDSS-JTQLQIEISA-N 281.312 -0.321 10 10 CBCE CC(=O)C(=O)COC(=O)[C@H]1COCCN1CC(F)(F)F 808547385 NHFMAHAKSLYOAD-MRVPVSSYSA-N 297.229 -0.049 10 10 CBCE O=C1CN(CC(=O)NCc2c(O)cccc2F)CCN1 928709539 JKOWWYFVKKBWHF-UHFFFAOYSA-N 281.287 -0.421 10 10 CBCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC(CO)(CO)C1 1645107185 CMIVTKIDOFTASU-DUXPYHPUSA-N 279.292 -0.076 10 10 CBCE CC(=O)N1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 1926322462 ZEQHRWGRZAXXGZ-UHFFFAOYSA-N 283.353 -0.081 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1c(O)cccc1F 2042599238 KSNIRWAANCEXTA-UHFFFAOYSA-N 255.249 -0.696 10 10 CBCE Nc1ccc(CCC(=O)N2CC(O)(CO)C2)cc1 2051902720 OIXMUPIZWKYDMZ-UHFFFAOYSA-N 250.298 -0.233 10 10 CBCE Nc1ccc(CN2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)cc1 2080601375 NFMJRIIIMXQCOS-GARJFASQSA-N 252.270 -0.741 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COC[C@H]1CO 2090318070 MPGGVMLOXDBSTD-NXEZZACHSA-N 267.281 -0.236 10 10 CBCE NS(=O)(=O)NCCCNCc1cc(F)cc(F)c1O 2101321047 CWTUUVJPBGXEAQ-UHFFFAOYSA-N 295.311 -0.057 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@@]3(CO)CO4)ccc21 2151001391 PWFGHHLPOBLPIQ-LJWDBELGSA-N 275.308 -0.022 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@@H](O)[C@@H]1O 2177942938 CJKZWWKGGJPDNW-DDHJSBNISA-N 279.336 -0.186 10 10 CBCE CO[C@@]1(CN)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188924578 QZXRYUVRDPLGPW-CYBMUJFWSA-N 282.296 -0.007 10 10 CBCE NCC(CO)(CO)NC(=O)Nc1ccc(N)cc1 2254568961 LZVFYTNKAADPEN-UHFFFAOYSA-N 254.290 -0.928 10 10 CBCE O=S1(=O)CC(O)(CNCc2c(O)cccc2F)C1 2256070398 XTGOUMHFDOERTJ-UHFFFAOYSA-N 275.301 -0.220 10 10 CBCE CC(=O)C(=O)[C@H](O)c1c(P(C)(C)=O)cnn1C 2303352492 JUXNCWLYADTBLL-SNVBAGLBSA-N 258.214 -0.140 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)[C@@H](O)[C@H]1CF 2333239565 QGRBRONZVJSZKU-XSSZXYGBSA-N 272.232 -0.992 10 10 CBCE COc1ccc(O)c([C@H](N)C(=O)NC[C@@H](C)O)c1 83398455 SCCRNYAOIJTDKG-HQJQHLMTSA-N 254.286 -0.102 10 10 CBCE Cn1cc([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)[nH]c1=O 111427380 UTJZDXBVQJNTHL-CSMHCCOUSA-N 267.245 -0.425 10 10 CBCE CN(Cc1ccccc1O)S(=O)(=O)C[C@H](N)C(=O)O 691721314 NHHYJNVXTOAONF-VIFPVBQESA-N 288.325 -0.434 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N(CCO)C3COC3)cc21 1915545516 MELFNLGRSLUMMQ-ZDUSSCGKSA-N 277.324 -0.140 10 10 CBCE CN1C[C@@H](O)[C@H](NC(=O)c2cccc(O)c2O)C1 2029861455 BNMHWSZQQARONI-PSASIEDQSA-N 252.270 -0.498 10 10 CBCE C[C@@H](CN)NS(=O)(=O)CCOc1ccc(N)cc1 2071663403 FFNCLHJXIKKZFV-VIFPVBQESA-N 273.358 -0.086 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1O 2089919721 OQSWLKLHRNQHBH-KOLCDFICSA-N 266.297 -0.155 10 10 CBCE COc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(N)c1 2090138791 MICWLWUQDFWPES-QWHCGFSZSA-N 268.313 -0.164 10 10 CBCE C[C@@H](O)CN(C[C@@H](C)O)C(=O)c1cc(O)nc(O)c1 2103484566 NBEISTNKSXAHNB-HTQZYQBOSA-N 270.285 -0.303 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1NCC[C@@H](O)[C@H]1O 2127598638 JEHBCPYRVOSKOQ-IJLUTSLNSA-N 266.297 -0.908 10 10 CBCE CC1(CO)CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2157303790 MLGFVMBDUFXTBK-JTQLQIEISA-N 280.324 -0.192 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)ccc1[C@@H](C)O 2269692427 VWXBXZGEZXECBI-QQUHWDOBSA-N 267.325 -0.049 10 10 CBCE CC(C)(N)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40924848 UPHODODQWFNXOC-MRVPVSSYSA-N 282.296 -0.053 10 10 CBCE O=C(c1cccc(O)c1O)N1CC(N2CCNCC2)C1 126698652 JWZSHNSEGTYIAI-UHFFFAOYSA-N 277.324 -0.173 10 10 CBCE CS(=O)(=O)CS(=O)(=O)NCc1ccccc1O 228425538 YYZWJRVYOVEVGW-UHFFFAOYSA-N 279.339 -0.186 10 10 CBCE COc1cc(Cl)cc(CNC(C(N)=O)C(N)=O)c1O 695289316 JQQSSQACXBSRLG-UHFFFAOYSA-N 287.703 -0.517 10 10 CBCE CN(CCOCCN)C(=O)c1cc(O)nc(O)c1 698854374 DBSQPEWHNBSSHY-UHFFFAOYSA-N 255.274 -0.460 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N(C)[C@@H]3COC[C@H]3O)cc21 708617394 GZLPMGGWRMTWMR-UPJWGTAASA-N 278.308 -0.108 10 10 CBCE O=C1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)NC(=O)N1 871205830 ZRTIRTSBZJUOFC-VIFPVBQESA-N 275.264 -0.168 10 10 CBCE Cc1ccc(C(=O)NC2=NCC(=O)N2C)c(O)c1O 1557709481 PBFMNZTYTYZETK-UHFFFAOYSA-N 263.253 -0.036 10 10 CBCE C[C@@H](O)[C@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2068576520 JJCUZWUWHGSGLI-VDTYLAMSSA-N 257.242 -0.725 10 10 CBCE NNc1ncnc(=NCCc2ccc(O)c(O)c2)[nH]1 2094977531 HIDLKPAPZQSDKU-UHFFFAOYSA-N 262.273 -0.355 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@@]1(CN)CCOC1 2098946214 OVAHHYZXKWCBEM-GFCCVEGCSA-N 267.285 -0.317 10 10 CBCE O=C1CN(C(=O)c2cc(O)nc(O)c2)[C@H]2CC[C@@H]2N1 2112063422 WUSVRCKVDRVAKZ-YUMQZZPRSA-N 263.253 -0.404 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 2161393801 LHDRWOMZGGCPOM-TXEJJXNPSA-N 280.324 -0.008 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1CCCc1ccc(N)cc1 2184136521 NKZYHFGDLOIBDE-GFCCVEGCSA-N 276.340 -0.513 10 10 CBCE Nc1ccc(NC(=O)NCC(N)(CO)CO)cc1 2258304022 VGAZDSKHICPOTG-UHFFFAOYSA-N 254.290 -0.928 10 10 CBCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)COC2(COC2)C1 2258428360 PQYWVGJJOMPUMV-JTQLQIEISA-N 255.278 -0.310 10 10 CBCE Cc1cc(CN)ccc1N(CC(N)=O)CC(N)=O 61804224 HUNPKOXXSNCMCR-UHFFFAOYSA-N 250.302 -0.769 10 10 CBCE C[C@H](O)[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 717329596 KJIHOMQOOFPJNM-GZMMTYOYSA-N 274.342 -0.570 10 10 CBCE COc1cccc(CNC(=O)CN2CC(=O)NC2=O)c1O 732284153 LSTBAFYAEYQLCD-UHFFFAOYSA-N 293.279 -0.431 10 10 CBCE Cn1nnnc1CCNC(=O)NCc1ccccc1O 772085647 YXASIVLNWBQNII-UHFFFAOYSA-N 276.300 -0.042 10 10 CBCE O=C1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CO1 1148589719 INEHZWUREQVELK-ZCFIWIBFSA-N 253.210 -0.151 10 10 CBCE NS(=O)(=O)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 1468918632 AUDLYRAJUXHESZ-UHFFFAOYSA-N 286.309 -0.860 10 10 CBCE Nc1ccc(CCC(=O)N2CCNC[C@@H](O)C2)cc1 1876482368 DXNDZPCGFJKTHF-CYBMUJFWSA-N 263.341 -0.006 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N(CCO)C3COC3)cc21 1915664978 VAIDGZJBWKMJEW-CYBMUJFWSA-N 278.308 -0.106 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2081037583 ZMMDXDJTTIVVDR-YJRXYDGGSA-N 252.314 -0.391 10 10 CBCE CC(=O)O[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](N=[N+]=[N-])[C@H]1OC(C)=O 2081162009 QCBWHSDRYPSJPB-VVULQXIFSA-N 289.244 -0.762 10 10 CBCE NC(=O)c1cccc(N)c1NC1[C@@H]2CS(=O)(=O)C[C@@H]12 2118018519 YCKADPWDTBYHGV-HTQZYQBOSA-N 281.337 -0.177 10 10 CBCE O=C1N[C@@H]2CN(c3ccc(CO)cc3F)C[C@H]2NC1=O 2166791485 SVXOKBSBQNDTOI-NXEZZACHSA-N 279.271 -0.879 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(F)c1F 2183628275 XKHFYSOFEXPWKV-BXKDBHETSA-N 286.278 -0.266 10 10 CBCE C[C@@H](N)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188918190 CCUUZFJHUNACDN-RDDDGLTNSA-N 282.296 -0.008 10 10 CBCE CC1(C)CN[C@H](CNC(=O)c2cc(O)nc(O)c2)CO1 2194650376 NMMNKMIBCCCCEX-SECBINFHSA-N 281.312 -0.010 10 10 CBCE NCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(F)c1F 2234107409 QTGFKMUILRNPLW-ZWNOBZJWSA-N 288.294 -0.282 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2COC[C@@]2(CO)C1 2234582411 HMUXTWKNDHKYDR-ZANVPECISA-N 280.280 -0.426 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC[C@]1(O)CCNC1 2238455529 YRLGURTXFBGYEO-CQSZACIVSA-N 280.324 -0.129 10 10 CBCE Nc1ccc(CN2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2260792304 LVUCVLGHEJMJMX-KGYLQXTDSA-N 252.314 -0.585 10 10 CBCE CN(C)c1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1 42815753 CWNUDCIGGITIKM-NSHDSACASA-N 290.323 -0.033 10 10 CBCE C[C@H](O)CN(CCO)S(=O)(=O)Cc1ccc(N)cc1 311922641 USURKFAMFZYQBV-JTQLQIEISA-N 288.369 -0.226 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@@](O)(CO)C2)cc1 313798287 LSNUPBGHSPCVEP-OCCSQVGLSA-N 282.340 -0.562 10 10 CBCE Nc1ccc(NC(=O)CCN2C[C@@H](CO)[C@@H](O)C2)cc1 316334836 DAIUVFYSRHECKJ-GWCFXTLKSA-N 279.340 -0.118 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)[C@H](CO)C1 699485887 HGQIFUWMIPDAAU-GXFFZTMASA-N 276.340 -0.249 10 10 CBCE CN(CCC(N)=O)c1ccc2c(c1)N(C)C(=O)[C@H]2N 723150694 KRZAYAOTYPKAKR-LBPRGKRZSA-N 262.313 -0.026 10 10 CBCE NC(=O)COCCNC(=O)Cc1ccc(O)c(O)c1 1588312125 FPVMSZMNGRIAPS-UHFFFAOYSA-N 268.269 -0.742 10 10 CBCE CC(C)(O)[C@H](O)C(=O)NCc1ccc(O)cc1O 1626850971 ZIIUAQXKDJPRTG-SNVBAGLBSA-N 255.270 -0.154 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@]2(O)CCNC2)cc1 1876466781 HEXVXEVLCRTIRR-GFCCVEGCSA-N 285.369 -0.587 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)CNS(=O)(=O)N(C)C 1912167596 MQZRUKKMWRZEDI-UHFFFAOYSA-N 264.311 -0.849 10 10 CBCE NCCCS(=O)(=O)NCCc1ccc(O)c(O)c1 2031070348 MAQFGTLLTQXEQN-UHFFFAOYSA-N 274.342 -0.092 10 10 CBCE COC1(C(N)=O)CN(Cc2cc(N)ccc2O)C1 2042981700 XCVLRSKMCYMMFL-UHFFFAOYSA-N 251.286 -0.340 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@]1(CO)C(=O)O 2168650057 KBHBNVVPTOVBIF-LBPRGKRZSA-N 282.252 -0.456 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3NC(=O)O[C@H]3C2)cc1 2176918429 WIPCILAFXNDIDX-QWRGUYRKSA-N 297.336 -0.109 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188868179 NEYAQNBARVCLCE-YFKPBYRVSA-N 280.236 -0.710 10 10 CBCE N[C@H]1CCCc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CO)ccc21 2201037658 PKRNUKHREHBIMY-AJNGGQMLSA-N 278.352 -0.075 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@](O)(CO)[C@H](O)C1 2234104483 GTEGVNXHIYGFNX-YPMHNXCESA-N 283.280 -0.972 10 10 CBCE CN(CC1(O)CNC1)C(=O)CCc1ccc(N)cc1 2271702859 JGINRQXSLRTVDV-UHFFFAOYSA-N 263.341 -0.006 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1 2289487288 FFWDZHMUMGIJNF-PGOKHVGTSA-N 284.331 -0.004 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H](O)CO)cc1 90282112 POPRFZXIYOKJNK-SNVBAGLBSA-N 260.315 -0.959 10 10 CBCE C[C@@](O)(CO)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 90283851 AWIUMWIDTQQSOO-AWEZNQCLSA-N 290.323 -0.072 10 10 CBCE Nc1ccc(NC(=O)CN2CCO[C@H](CO)C2)cc1 167809967 XFGIRHSEUPMTCJ-LBPRGKRZSA-N 265.313 -0.100 10 10 CBCE CN(Cc1ccccc1O)C(=O)Cn1cn[nH]c1=O 180536697 KCDFFLBZJFVPHS-UHFFFAOYSA-N 262.269 -0.064 10 10 CBCE COCCNC(=O)[C@@H](C)NC(=O)COc1ccc(N)cc1 228892965 OQTQDRIEEYLXNG-SNVBAGLBSA-N 295.339 -0.085 10 10 CBCE O=C(NCC(=O)N1CCNCC1)c1ccc(O)c(O)c1 236559289 TUXRWBMZXSXFGC-UHFFFAOYSA-N 279.296 -0.741 10 10 CBCE CC(=O)C(=O)COC(=O)[C@H]1COCCN1CC(F)F 808544442 CDBWUEDUNBRTJR-MRVPVSSYSA-N 279.239 -0.346 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC[C@@H](O)CF)cc1 2093842169 KWQRBKXAMFGWIF-JTQLQIEISA-N 292.332 -0.103 10 10 CBCE C[C@H](NCCCNS(N)(=O)=O)c1cc(O)ccc1O 2101323409 BVIKWRSFAXEFAS-QMMMGPOBSA-N 289.357 -0.068 10 10 CBCE COC[C@@](O)(CO)CNC(=O)c1ccc(O)c(O)c1 2102391310 ZXTDPKSDISAKSU-LBPRGKRZSA-N 271.269 -0.803 10 10 CBCE O=C(c1cccc(O)c1O)N1CC(CO)(C(=O)O)C1 2114365346 HGJUPYJUHLXBAB-UHFFFAOYSA-N 267.237 -0.383 10 10 CBCE N=c1[nH]c(N)cc(=NCCOc2ccc(N)cc2)[nH]1 2117198546 BXMNUUCAOSYMBN-UHFFFAOYSA-N 260.301 -0.034 10 10 CBCE NCc1nc(NC(=O)c2cc(O)c(O)c(O)c2)n[nH]1 2132400342 LXSUNRXYMLINTF-UHFFFAOYSA-N 265.229 -0.368 10 10 CBCE COc1cc(C(=O)N[C@@H](CN)CN(C)C)cc(OC)n1 2166942601 LXMBKXJJXOUELI-JTQLQIEISA-N 282.344 -0.283 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2CCNC[C@H]2O)cc1 2191654934 WOUGUBAMODYLKO-CHWSQXEVSA-N 279.340 -0.123 10 10 CBCE COc1ccc(N2CC[C@](O)(C(N)=O)C2)c(CO)c1 2227709535 VJPJNDKXKJHLHG-CYBMUJFWSA-N 266.297 -0.386 10 10 CBCE O=C(NCC[C@]1(O)CCNC1)c1ccc(O)c(O)c1 2230135630 GVHSHHJSAIIAHT-CYBMUJFWSA-N 266.297 -0.058 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2273671659 HQURSSJGXRLFSS-DTCNJJKHSA-N 267.325 -0.110 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CCO3)C[C@H](O)[C@@H]1O 2273675398 VQUDNMMGEAOGLO-VHRBIJSZSA-N 265.309 -0.228 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1F 2311715514 XUGDBNOXGRJLMJ-UTUOFQBUSA-N 256.277 -0.813 10 10 CBCE NC(=O)C[C@@H](N)C(=O)NCc1cccc(F)c1O 83408533 WCZNZHKTMLTHMP-MRVPVSSYSA-N 255.249 -0.650 10 10 CBCE NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(N)cc1 129198993 WHAOFRAEGFMWBV-LLVKDONJSA-N 263.297 -0.476 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)COc2ccc(N)cc2)C1 380477649 KHCABTSYPYKDMA-CYBMUJFWSA-N 279.296 -0.904 10 10 CBCE C[C@H](NC(=O)COc1ccc(N)cc1)[C@@H](O)CO 698970660 MYDYXBQABYZULM-KWQFWETISA-N 254.286 -0.495 10 10 CBCE O=C(CN1C(=O)CCC1=O)NCc1c(O)cccc1O 1639288936 BTBQQHPRKVIGDK-UHFFFAOYSA-N 278.264 -0.137 10 10 CBCE O=C(c1cccc(O)c1O)N1CCS(=O)(=O)CCN1 1965353640 YLBKPMFXTIJZLP-UHFFFAOYSA-N 286.309 -0.527 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](N)[C@H]3COC[C@@H]32)cc1 1967372622 XFJNSIQBMGYDRH-AGIUHOORSA-N 261.325 -0.004 10 10 CBCE Nc1ccc(CN2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)cc1 2080601377 NFMJRIIIMXQCOS-HBNTYKKESA-N 252.270 -0.741 10 10 CBCE O=C1CN(Cc2ccc(O)c(O)c2)[C@@H](C(=O)O)CN1 2136365570 ZOILOOCTDCRPRJ-MRVPVSSYSA-N 266.253 -0.517 10 10 CBCE CN(C)c1ccc(CNC(=O)NC[C@@H](O)C(=O)O)cc1 2160468922 AADIQMGGEZUSLA-LLVKDONJSA-N 281.312 -0.003 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@H](O)[C@H]1O 2177942939 CJKZWWKGGJPDNW-JURCDPSOSA-N 279.336 -0.186 10 10 CBCE O=C(NC[C@@]12CN[C@@H](CO1)C2)c1cc(O)c(O)c(O)c1 2188926053 ZSCMILIQQLYMJF-AMIZOPFISA-N 280.280 -0.336 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)[C@@H]4COC[C@@H]43)ccc2[C@H]1O 2354373503 AAPSRHAFXHFAHT-GWNIPJSYSA-N 276.292 -0.132 10 10 CBCE O=C(NCCCc1nn[nH]n1)c1ccc(O)c(O)c1 392665425 XJACAPOMMGKDQO-UHFFFAOYSA-N 263.257 -0.027 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOC[C@H](O)C1 399872209 QHIOPPDHDYVRJX-MRVPVSSYSA-N 254.242 -0.674 10 10 CBCE NCc1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c(F)c1 693397705 GGHQBSMAZDMVNW-IUCAKERBSA-N 280.303 -0.693 10 10 CBCE O=C(CC[C@H]1NC(=O)NC1=O)NCc1c(O)cccc1O 1304050071 IBZGGORNWCBHOP-MRVPVSSYSA-N 293.279 -0.298 10 10 CBCE COc1cccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)c1O 1319599985 ZGGLRYLQPDIWGL-QMMMGPOBSA-N 293.279 -0.385 10 10 CBCE CS(=O)(=O)C[C@H](O)CNC(=O)c1cc(O)cs1 1558637733 WVJBDPDLWAFOCU-SSDOTTSWSA-N 279.339 -0.411 10 10 CBCE NC(=S)NC=C1SC(=S)N(CC(=O)O)C1=O 1911966569 AWQLZZFFZGLLDQ-UHFFFAOYSA-N 277.352 -0.394 10 10 CBCE OCC1(NCc2cc3c(cc2O)OCO3)COC1 2068964877 NQASLWSFYZMDCE-UHFFFAOYSA-N 253.254 -0.028 10 10 CBCE CN(C)c1ccc([C@H](O)[C@]2(C(=O)O)C[C@@H](O)CN2)cc1 2164762496 SNRVPJAHMDCEKN-DYEKYZERSA-N 280.324 -0.036 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@H]2O 2184738218 QWCSENORUSHCRR-NEPJUHHUSA-N 275.308 -0.544 10 10 CBCE COCCNC(=O)CNC(=O)c1cc(O)c(O)c(O)c1 2188868845 XXGRWRFTRZGXBL-UHFFFAOYSA-N 284.268 -0.704 10 10 CBCE O=C(NC[C@@]1(O)CCCNC1)c1cc(O)c(O)c(O)c1 2188924672 QENXVSQTYOFFKP-CYBMUJFWSA-N 282.296 -0.352 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](O)[C@@H]1CF)OCCO2 2205598560 FSTWVDHGEZJZIJ-KWBADKCTSA-N 284.287 -0.080 10 10 CBCE CNCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(F)c1 2234099058 ZKILPAUVTSGGNE-KBPBESRZSA-N 284.331 -0.161 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3CN[C@H](CO)[C@@H]3C2)cc1 2235573324 KTXNSOQSPSRCQY-IACUBPJLSA-N 275.352 -0.150 10 10 CBCE C[C@@H](O)CN(CCN)S(=O)(=O)Cc1ccc(N)cc1 2269822858 CNASGSTWJQNNLX-SNVBAGLBSA-N 287.385 -0.260 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@H]3[C@H](O)CO)cc21 2286225894 KSBAXSHDNUKXJV-CYZMBNFOSA-N 278.308 -0.372 10 10 CBCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1cn(CCCO)nn1 90639297 SIEDNPUHCWVAKX-MRVPVSSYSA-N 269.265 -0.314 10 10 CBCE Nc1ccc(OCCCN2CC(=O)NC(=O)C2)cc1 97267641 PVTBGVBWVUMMFB-UHFFFAOYSA-N 263.297 -0.004 10 10 CBCE C[C@@H]1O[C@@H](Oc2ccc(N)cc2)[C@H](O)[C@@H](O)[C@@H]1O 247994523 CITVZWPAGDTXQI-CAXGQTPXSA-N 255.270 -0.525 10 10 CBCE NC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C1 300527636 FIUWQWVSRIZIEK-PWSUYJOCSA-N 279.340 -0.184 10 10 CBCE NC/C=C\C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 312980867 QSXXNUNMCLXHKG-IYABHPQVSA-N 280.280 -0.275 10 10 CBCE Nc1ccc(OCC(=O)NCC2(S(N)(=O)=O)CC2)cc1 713948525 KIVIIMGVUKCMHT-UHFFFAOYSA-N 299.352 -0.415 10 10 CBCE Cc1ccc(C(=O)N2CC[C@@](O)(C(N)=O)C2)c(O)c1O 803165984 QTUCTDWFVGFLPT-ZDUSSCGKSA-N 280.280 -0.531 10 10 CBCE NC(=O)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1633002739 XYKVOMYHEZPZQT-VIFPVBQESA-N 264.281 -0.026 10 10 CBCE C[C@H](NCC(O)(CO)CO)c1c(O)cccc1O 1913798914 IJNCIDINSNQRTK-QMMMGPOBSA-N 257.286 -0.536 10 10 CBCE NC1CN(S(=O)(=O)Nc2ccc(O)c(F)c2)C1 1996877554 RWXIVDWVWMQISM-UHFFFAOYSA-N 261.278 -0.169 10 10 CBCE C[C@H](O)[C@H](N)CNC(=O)Cc1ccc(O)c(O)c1 2027479351 IHPMIGUIZSZBJM-IONNQARKSA-N 254.286 -0.535 10 10 CBCE O=C(c1cccc(O)c1O)N1CCNC[C@@H]1CO 2034687672 YMNUKEFIYORMMX-MRVPVSSYSA-N 252.270 -0.496 10 10 CBCE Oc1ccc(CNC[C@H]2COC[C@@H]2O)c(O)c1O 2036572962 UIDVKJQYLJJVJH-WPRPVWTQSA-N 255.270 -0.100 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)cc1O 2046513960 JZEMBHOJAVAYAS-GMEFYDFLSA-N 255.270 -0.958 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2136346275 YOEUVVBIOLFSTA-SCVCMEIPSA-N 274.267 -0.674 10 10 CBCE CO[C@H]1CN(C)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188913597 UAODBLSPPHXNBL-KCJUWKMLSA-N 282.296 -0.138 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(C(=O)COc3ccc(N)cc3)C[C@H]21 2201312125 XIPSHFXXELBBEC-PJXYFTJBSA-N 275.308 -0.163 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1CCOc1ccc(N)cc1 2234076786 WYSOEKDDIQLPIR-MCIONIFRSA-N 282.340 -0.300 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)ccc1[C@H](C)O 2269678640 VWXBXZGEZXECBI-VZLIPTOUSA-N 267.325 -0.049 10 10 CBCE CN(CC(N)=O)C[C@@H](O)COc1ccc(N)cc1 37268048 MEWNWMJWZHLZDR-SNVBAGLBSA-N 253.302 -0.574 10 10 CBCE NS(=O)(=O)CCNCc1ccc2c(c1)CCO2 37363076 ZBPOZEKUQILTAV-UHFFFAOYSA-N 256.327 0.000 10 10 CBCE Cn1ccn(CC(=O)Nc2ccc(N)cc2)c(=O)c1=O 61796674 QJODWSZHTWUXRF-UHFFFAOYSA-N 274.280 -0.232 10 10 CBCE NCc1ccc(N(CC(N)=O)CC(N)=O)c(Cl)c1 62793174 ORNJPYOKOQHAJP-UHFFFAOYSA-N 270.720 -0.424 10 10 CBCE O=C(Nc1cc(O)c(O)c(O)c1)N1CCN(CCO)CC1 217278795 MSZBLPBTXVSOLZ-UHFFFAOYSA-N 297.311 -0.055 10 10 CBCE C[C@@H](O)[C@@H](CO)NC(=O)COc1ccc(N)cc1 387533951 KQNBCRRNVCJHKE-LDYMZIIASA-N 254.286 -0.495 10 10 CBCE O=C(N[C@@H]1CCNC[C@@H]1O)c1ccc(O)c(O)c1 710368175 JJLQHDONTBUEMC-KCJUWKMLSA-N 252.270 -0.450 10 10 CBCE O=C(NC[C@H]1CCO[C@@H]1C(=O)O)c1cc(O)nc(O)c1 715130407 WOUHTATUZAODME-LDWIPMOCSA-N 282.252 -0.288 10 10 CBCE C[C@@H]1C(=O)NCCN1C(=O)c1cc(O)c(O)c(O)c1 1148584327 SCWJZUHVBROKND-ZCFIWIBFSA-N 266.253 -0.236 10 10 CBCE NC(=O)C1(N)CN(C(=O)CCc2ccc(N)cc2)C1 1876429842 NPYBSWQCFROIFQ-UHFFFAOYSA-N 262.313 -0.774 10 10 CBCE O=C1C[C@H](c2cc(O)nc(O)c2)[C@@H](C(=O)O)C(=O)N1 1952376806 UCOALKUVBBACKN-MLUIRONXSA-N 266.209 -0.676 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CCNC[C@H]2CO)cc1 1971920674 OOBXXNBUIGQOQM-WCQYABFASA-N 263.341 -0.102 10 10 CBCE CO[C@@H]1CNC[C@@H]1NC(=O)c1cccc(O)c1O 2058674578 AKLZPIIPMFOLOX-WCBMZHEXSA-N 252.270 -0.186 10 10 CBCE O=C(N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21)c1ccc(O)c(O)c1 2118054619 IYVDLVXMJYKLLV-AKZRSSKFSA-N 283.305 -0.129 10 10 CBCE CONCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2158395472 CNTCURRCHCCTNO-QMMMGPOBSA-N 284.268 -0.639 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1Cc1cc(F)ccc1O 2201087460 AQAFPALIHJGJJJ-GRYCIOLGSA-N 285.271 -0.088 10 10 CBCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1[C@H](C)N 2269657485 NSQCONFINQQYJZ-VIFPVBQESA-N 264.329 -0.208 10 10 CBCE COC[C@@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341146217 UTJXLEMQHXJKNI-SNVBAGLBSA-N 266.297 -0.044 10 10 CBCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2O 2355944035 YRKTWNTWSZSBJG-SRVKXCTJSA-N 278.308 -0.008 10 10 CBCE COCCNC(=O)CN(CC(N)=O)Cc1ccc(N)cc1 49278672 WITOATYDXXCNNR-UHFFFAOYSA-N 294.355 -0.681 10 10 CBCE NCC[C@@H](O)C(=O)NCc1ccc(O)c(O)c1O 83414069 CPMGOSHWMGLNLU-MRVPVSSYSA-N 256.258 -0.871 10 10 CBCE N[C@H](c1nnc([C@H](O)CO)o1)c1cccc(O)c1O 83494126 ADDKORRWDYMEHD-SFYZADRCSA-N 267.241 -0.445 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@@H]1CO 687619521 HPPDUZZXRGZVTJ-MFKMUULPSA-N 276.340 -0.249 10 10 CBCE [N-]=[N+]=NCCCCNC(=O)CN1C(=O)CNC1=O 701319581 UDANLBAEXUAVGT-UHFFFAOYSA-N 254.250 -0.255 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCNC[C@@H]1CO 1876461085 JRZDKJRUFNYDKH-LDYMZIIASA-N 264.329 -0.250 10 10 CBCE Cn1nncc1S(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912196900 NHKQFKAEZQXIOK-ZCFIWIBFSA-N 257.279 -0.112 10 10 CBCE CCO[C@@H]1CNC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049785035 UWGULSYNIJBLKV-QFOLPQNPSA-N 254.330 -0.124 10 10 CBCE O=C(NC[C@@H](CO)C(=O)O)c1cccc(O)c1O 2067737385 VHQWLOFLZRQTFE-LURJTMIESA-N 255.226 -0.479 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1N 2089911149 MUFZRLGRRQHKHS-ZJUUUORDSA-N 265.313 -0.189 10 10 CBCE CNS(=O)(=O)CCN(C)C(=O)c1cc(O)nc(O)c1 2094683804 VPDMNHBFEOJEQA-UHFFFAOYSA-N 289.313 -0.886 10 10 CBCE O=C(N[C@@H]1CCNC[C@H]1CO)c1cccc(O)c1O 2116265650 MOIFFAAQMZXYOA-WCBMZHEXSA-N 266.297 -0.202 10 10 CBCE CCn1nnnc1CNS(=O)(=O)Cc1ccc(N)cc1 2169380199 XSEUCBQQKJLEQG-UHFFFAOYSA-N 296.356 -0.105 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)cc1 2177954700 JWBNQIWYNZVKEQ-WGEPELCKSA-N 280.324 -0.970 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)C[C@H]1CO 2200827867 BIFCECHQMOQPIS-WDEREUQCSA-N 281.308 -0.016 10 10 CBCE O=[N+]([O-])c1cc(CO)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CF 2205616143 VJUXAZSKOKSJIX-SRVKXCTJSA-N 286.259 -0.033 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2273789975 HQURSSJGXRLFSS-DGFQIJBJSA-N 267.325 -0.110 10 10 CBCE CO[C@H](CN)C(=O)N1CCc2cc(O)c(O)cc2C1 2341194060 MUZKDMJIVGCSEK-GFCCVEGCSA-N 266.297 -0.044 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@@H]1CCOC1=O 35366640 TZJOLYFXEAGZJA-LLVKDONJSA-N 263.297 -0.128 10 10 CBCE CCNCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 44651132 OZKPBGVKDNVBEE-SECBINFHSA-N 282.296 -0.181 10 10 CBCE CCOC(=O)CCC(=O)C(=O)C(=O)C(=O)OCC 71621166 HMIWHPQLSSEFSF-UHFFFAOYSA-N 258.226 -0.400 10 10 CBCE O=C1C[C@@H](NCCO)C(=O)c2c(O)ccc(O)c21 105652519 IKKMIQJUXDTWQX-ZCFIWIBFSA-N 251.238 -0.183 10 10 CBCE CNC(=O)[C@@H]1COCCN1C(=O)COc1ccc(N)cc1 159183545 MCIUVOVMNACZOA-LBPRGKRZSA-N 293.323 -0.379 10 10 CBCE CN(C(=O)CN1CCO[C@H](CO)C1)c1ccc(N)cc1 167014399 DKBWCQPKNXPLQQ-ZDUSSCGKSA-N 279.340 -0.075 10 10 CBCE CC(C)(C)n1nnc([C@H](NCCN=[N+]=[N-])C(N)=O)n1 697251021 YWPGOUMKLRZLMU-ZCFIWIBFSA-N 267.297 -0.146 10 10 CBCE NC(=O)N[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723173629 MFMUKWYINFTXLD-HQJQHLMTSA-N 275.312 -0.115 10 10 CBCE CNC[C@H](O)CN(C)S(=O)(=O)Cc1ccc(N)cc1 1876531092 JQZFZCNIWDAOLQ-LBPRGKRZSA-N 287.385 -0.389 10 10 CBCE COC(=O)[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 1876533264 NIFQBOMJSDVLBD-JTQLQIEISA-N 288.325 -0.778 10 10 CBCE O=C(O)[C@@H]1C=CCN1C(=O)c1cc(O)nc(O)c1 2056860725 QTRPTKOSXQZJQV-ZETCQYMHSA-N 250.210 -0.042 10 10 CBCE CN1CC[C@](NCCCN=[N+]=[N-])(C(N)=O)CC1=O 2068216740 HESNVFQWSQADCH-SNVBAGLBSA-N 254.294 -0.247 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@@H]2COC[C@@H]21 2102187945 COZUJEZAULFALE-PTRXPTGYSA-N 265.265 -0.071 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@H](O)[C@@H]1CF 2205598760 GVZOWXUIDQEEBY-LJUAHTATSA-N 285.271 -0.458 10 10 CBCE COC(=O)[C@@]1(NCCN=[N+]=[N-])COC2(COC2)C1 2258402433 ABAPXNPDFMGOIY-JTQLQIEISA-N 256.262 -0.013 10 10 CBCE O=C(CN1CC[C@@H]1[C@@H](O)CO)c1ccc(O)c(O)c1 2270709481 NVASULMNUMEIRJ-RNCFNFMXSA-N 267.281 -0.292 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3OC[C@H](CO)O[C@H]3C2)c1 2279883114 RRDGFPWXBOGOKG-UBHSHLNASA-N 280.324 -0.065 10 10 CBCE O=C(N[C@H]1CO[C@@H]2CNC[C@@H]21)c1cc(O)nc(O)c1 2330885182 PVHRICKHQDZGKV-HRDYMLBCSA-N 265.269 -0.791 10 10 CBCE NCCCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40832521 CXJBOAKTFGWYLI-JTQLQIEISA-N 267.329 -0.177 10 10 CBCE Nc1ccc(N2CCN(c3n[nH]c(=O)[nH]c3=O)CC2)cc1 57896760 YJFUNNBPNJTVAI-UHFFFAOYSA-N 288.311 -0.633 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)[C@H]1COC[C@@H]1O 708138352 LYGSUVKDIQUBIS-ZANVPECISA-N 267.281 -0.028 10 10 CBCE C[C@H](Oc1ccc(N)cc1)C(=O)N[C@@H](C(=O)O)[C@H](C)O 1860082824 UZSOHDOPSGQPER-DKCNOQQISA-N 282.296 -0.014 10 10 CBCE C[C@H](NC(=O)c1cc(O)nc(O)c1)C1(O)CCNCC1 1918776433 CSIJMIHLUJLPIW-QMMMGPOBSA-N 281.312 -0.274 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2cc(F)ccc2O)C1 2057722236 ZAOKQBGFNUUXSV-ONGXEEELSA-N 275.301 -0.221 10 10 CBCE Cc1cc(N2CCNC(=O)[C@H]2C(N)=O)ccc1CO 2127701112 MKCNDJTUZXHHRW-LLVKDONJSA-N 263.297 -0.723 10 10 CBCE NC(=O)C1(O)CN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2132057244 BOFIYZBVSRFZTJ-UHFFFAOYSA-N 267.241 -0.877 10 10 CBCE COC(=O)C1(N)CC(NC(=O)c2ccc(O)c(O)c2)C1 2151219420 HMEQKQRBAWMGOO-UHFFFAOYSA-N 280.280 -0.140 10 10 CBCE C[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C[C@H]1O 2197963206 AASORZGUXPJCKV-DYEKYZERSA-N 278.308 -0.006 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1OC 2226801679 GVVCCOHUPJNCAL-NRUUGDAUSA-N 269.297 -0.394 10 10 CBCE Cc1cc(CN)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2311711735 XVAORMANIRKAFL-XQQFMLRXSA-N 252.314 -0.644 10 10 CBCE CNC(=O)CN(C)c1cc2c(cc1N)OCC(=O)N2 35453296 GJUMSVGJRIXPIH-UHFFFAOYSA-N 264.285 -0.218 10 10 CBCE CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(O)nc(O)c2)C1 311513483 HUGUERLAOQVHCK-IUCAKERBSA-N 268.269 -0.285 10 10 CBCE Cc1cccc(CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1O 693454724 PKAWTQORNRCPOG-PHIMTYICSA-N 277.324 -0.281 10 10 CBCE C[C@H](NC(N)=O)C(=O)NCc1cccc(O)c1O 1643812592 MEPIDGQNBIPDOT-LURJTMIESA-N 253.258 -0.229 10 10 CBCE CCO[C@@H]1CNCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 1912199458 SLTLFACUJACGSA-MWLCHTKSSA-N 270.337 -0.101 10 10 CBCE NCc1ccc(N2CC(O)(C(N)=O)C2)cc1Cl 1915224199 NFZFFWMBPNGUNY-UHFFFAOYSA-N 255.705 -0.165 10 10 CBCE CN1CCNC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 1968738668 CQRQLJHHAMWEHW-LLVKDONJSA-N 279.340 -0.340 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Cl 2080924669 DDBKKXYPTIYLKP-GRYCIOLGSA-N 273.716 -0.265 10 10 CBCE NC1CN(S(=O)(=O)Nc2ccc(O)cc2[N+](=O)[O-])C1 2102783133 ORXDZAZHZQMEKS-UHFFFAOYSA-N 288.285 -0.400 10 10 CBCE Oc1c(F)cc(F)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2108826150 SNWRISYNRDUZDG-RBLKWDMZSA-N 275.251 -0.385 10 10 CBCE OCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2136282394 ASSOZIGYGBTLDT-NHCYSSNCSA-N 275.251 -0.640 10 10 CBCE Cc1cc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)ccc1CO 2166790133 CFFLMOFLSFSNAS-TXEJJXNPSA-N 275.308 -0.709 10 10 CBCE O=C1N[C@H]2CN(Cc3c(O)cccc3Cl)C[C@@H]2NC1=O 2166791518 TZHQZCSFIZFUEU-UWVGGRQHSA-N 295.726 -0.156 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCO[C@H]2CNC[C@@H]21 2188921697 CUEGAYWWBJACBH-KWQFWETISA-N 280.280 -0.384 10 10 CBCE CN1CCN[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 2191695810 NSMANWVQMRVOGG-ZDUSSCGKSA-N 298.412 -0.408 10 10 CBCE COCCNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1 234699982 VKNUVMSREAYZLM-OKILXGFUSA-N 266.341 -0.036 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@](O)(CO)C1 313653073 MAHSBSHZSVCGNR-LBPRGKRZSA-N 253.254 -0.333 10 10 CBCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1CO 1643473854 NLUOLSGSCMTCHU-NSHDSACASA-N 280.324 -0.225 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 1912144453 TURCFXOILUJXTO-BQBZGAKWSA-N 266.261 -0.257 10 10 CBCE O=C1C[C@H](NC(=O)c2ccc(O)c(O)c2)C(=O)N1 2034957472 LPEMRCPCCCDQRY-LURJTMIESA-N 250.210 -0.757 10 10 CBCE CN1C[C@@H](O)[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 2090333169 GNBOIBVGFZDGEK-BXKDBHETSA-N 266.297 -0.569 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1ccc(CO)cc1F 2127702339 SLNKDHDLMCDHAE-SNVBAGLBSA-N 267.260 -0.892 10 10 CBCE O=C1CN(c2ccc(CO)c([N+](=O)[O-])c2)CC(=O)N1 2132059541 UGTXSEHCWHINMR-UHFFFAOYSA-N 265.225 -0.450 10 10 CBCE Nc1ccc(OCCN2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2136337743 IFBNAPXMUWBHPX-AVGNSLFASA-N 268.313 -0.954 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2136345776 WWJRKRQZXZFUBZ-AVGNSLFASA-N 286.759 -0.038 10 10 CBCE CN(C)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 2146133890 YJSRUCNKRDXZOF-GXFFZTMASA-N 280.324 -0.226 10 10 CBCE O=C(N[C@H]1CCn2nnnc2C1)c1ccc(O)c(O)c1 2175911271 BNZNLECCPZZBIG-QMMMGPOBSA-N 275.268 -0.171 10 10 CBCE C[C@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1O 2184133750 WSGKAWPWOBHGBE-WRWORJQWSA-N 279.296 -0.764 10 10 CBCE C[C@H](O)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2201000823 AFCLXLVJPRULII-XENVIUNCSA-N 289.278 -0.079 10 10 CBCE C[C@H](COc1nnc(=N)[nH]n1)NC(=O)OC(C)(C)C 2209011063 GISCWHRCBGHLLC-ZCFIWIBFSA-N 270.293 -0.029 10 10 CBCE Nc1ccc(CC(=O)N2CC([C@H](O)CO)C2)cc1 2315262767 FOWZRAJHBORNBI-GFCCVEGCSA-N 250.298 -0.377 10 10 CBCE O=C(CN1C[C@H](O)[C@@H](O)C1)c1ccc(O)c(O)c1 236582434 NBINEICSFMXOIM-RYUDHWBXSA-N 253.254 -0.682 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@@](O)(CO)C2)cc1 313652324 LTUWOJSLSAZVOF-AWEZNQCLSA-N 280.324 -0.007 10 10 CBCE C[S@@](=O)CCN(CC(N)=O)Cc1ccc(N)cc1 400606639 KHIQUPQFVVJSDY-GOSISDBHSA-N 269.370 -0.065 10 10 CBCE O=C(NC[C@H]1CNC[C@@H]1O)c1cccc(O)c1O 702849348 BHEATLWHKGNOOW-XCBNKYQSSA-N 252.270 -0.592 10 10 CBCE CC(=O)OC[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1567526122 NOGBTFNCHYYVFY-JTQLQIEISA-N 283.280 -0.320 10 10 CBCE Nc1ccc(CCO[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 2056190376 YDNFTHDJMDOFOR-VXGBXAGGSA-N 271.338 -0.014 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)c1 2121476165 TZGPLBPTHAJDAS-MHDGFBEUSA-N 267.325 -0.107 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN[C@H]2COC[C@@H]21 2132434934 SLUKLZKJLOVVKG-UWVGGRQHSA-N 264.281 -0.089 10 10 CBCE C[C@H](N)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1O 2146328077 CPNDLYCBSXJGEU-MRCXROJRSA-N 282.340 -0.030 10 10 CBCE O=C(c1cccc(O)c1O)N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183721004 DXRXUCGLYKQBQN-KOLCDFICSA-N 281.264 -0.956 10 10 CBCE O=C(O)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2295622049 KMAKRBYIHRZGFT-YUMQZZPRSA-N 282.252 -0.600 10 10 CBCE O=S1(=O)CC[C@@H](S(=O)(=O)[n+]2ccccc2)C1 5583131 JWBMUJUXJCNFCY-SECBINFHSA-N 262.332 -0.661 10 10 CBCE Nc1cc2c(cc1N1CCS(=O)(=O)CC1)NC(=O)CO2 36161251 HIBSYGSPLWEZPO-UHFFFAOYSA-N 297.336 -0.166 10 10 CBCE C[C@]1(C(=O)O)COC[C@H]1NC(=O)c1cc(O)nc(O)c1 90569549 CZXYVPMXRLHMLP-KRTXAFLBSA-N 282.252 -0.288 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC(=O)NC(=O)C1 97267557 JHDBBSQLDPZSDH-QMMMGPOBSA-N 276.296 -0.446 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@@H](O)C2)cc1 236367306 VOXVOYSDGMEGSD-QWRGUYRKSA-N 252.270 -0.788 10 10 CBCE CN([C@@H]1CCNC1=O)S(=O)(=O)Cc1ccc(N)cc1 1916817915 HKNXCBAYYCQECL-LLVKDONJSA-N 283.353 -0.081 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 2060801656 CGWNKYRMJSAJOH-DTWKUNHWSA-N 252.270 -0.368 10 10 CBCE O=C(NC[C@H]1CCNC1=O)c1cccc(O)c1O 2075994486 OLBWGNWVAOTXMZ-SSDOTTSWSA-N 250.254 -0.036 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1O 2089918331 GYNMIHUVTZIIDL-BXKDBHETSA-N 266.297 -0.155 10 10 CBCE NC1CC(O)(CNC(=O)Cc2ccc(O)c(O)c2)C1 2107275265 LOENAAFSKIHCDH-UHFFFAOYSA-N 266.297 -0.391 10 10 CBCE NC(=O)COC1CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2145385558 KMLQMENOJWQJAQ-UHFFFAOYSA-N 281.268 -0.222 10 10 CBCE NC(=O)NC1CN(C(=O)CCOc2ccc(N)cc2)C1 2163218630 ZFHZZGFOTXETSU-UHFFFAOYSA-N 278.312 -0.083 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC=C[C@H](O)C1 2165068276 IUXJDCWNRBRQNP-QWRGUYRKSA-N 278.308 -0.273 10 10 CBCE NC1(C(=O)O)CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2188928277 JZJKCBHEHAMDDE-UHFFFAOYSA-N 282.252 -0.522 10 10 CBCE O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(O)nc(O)c1 2224348346 LQBNOPLCFSMHKP-SOCHQFKDSA-N 268.269 -0.503 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)[C@@H]2COC[C@@H]21 2354373620 CCJCBYRGDJJBRQ-GBIKHYSHSA-N 279.292 -0.142 10 10 CBCE CNCc1ccc(N(CC(N)=O)CC(N)=O)c(F)c1 61808313 XUHRSXRBABRXHN-UHFFFAOYSA-N 268.292 -0.678 10 10 CBCE COCCN(CCO)C(=O)c1cc(O)nc(O)c1 164527900 UMSSELDYDUAKCZ-UHFFFAOYSA-N 256.258 -0.426 10 10 CBCE NC(=O)[C@@H]1COCCN1C(=O)c1ccc(O)c(O)c1 227056341 DQCCGZLVLUHQET-QMMMGPOBSA-N 266.253 -0.576 10 10 CBCE CN(C[C@H](O)CO)c1ccc2c(c1)CC(=O)N2C 259039940 PFHIDJSCHKRPOZ-NSHDSACASA-N 250.298 -0.005 10 10 CBCE NC(=O)[C@@H]1CN(c2ccc(CO)cc2F)C[C@H]1C(N)=O 693463258 SFAKCRYCBICPKZ-RKDXNWHRSA-N 281.287 -0.659 10 10 CBCE CC(C)(O)[C@@H](O)C(=O)NCc1c(O)cccc1O 1472063895 RVYQSYSZPDFDPR-JTQLQIEISA-N 255.270 -0.154 10 10 CBCE NC[C@H]1C[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2067385638 OXJJVSSIVZXBCJ-SFYZADRCSA-N 253.258 -0.973 10 10 CBCE COc1ccc(N2CCNC[C@H]2C(N)=O)c(N)c1 2071592322 GJROVSVCAMLAHS-NSHDSACASA-N 250.302 -0.459 10 10 CBCE COc1cccc(O)c1CN[C@@H]1CS(=O)(=O)C[C@@H]1O 2121385661 QSNZETJNWQWBFU-KOLCDFICSA-N 287.337 -0.352 10 10 CBCE Nc1ccc(CCN2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2127256840 DSWKTOMXQYAFRI-QWHCGFSZSA-N 264.325 -0.382 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(OC)c1 2226810793 VXNWRGXNMMNAKI-MDZLAQPJSA-N 269.297 -0.394 10 10 CBCE COc1cccc(CNCC2(O)CS(=O)(=O)C2)c1O 2267901236 MPLBXIUYAIYLQT-UHFFFAOYSA-N 287.337 -0.350 10 10 CBCE NS(=O)(=O)CCNCc1ccc(N2CCOCC2)cc1 36744969 CAJUIPPVQKWIMU-UHFFFAOYSA-N 299.396 -0.099 10 10 CBCE C[C@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 38437296 XZZCFGQMQZJPLF-XNCJUZBTSA-N 255.226 -0.338 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CC[C@@](O)(CO)C2)cc1 313798280 LSNUPBGHSPCVEP-JSGCOSHPSA-N 282.340 -0.562 10 10 CBCE CN(CCC(N)=O)S(=O)(=O)Cc1ccc(N)cc1 381890794 QDIDIJHBUNGASO-UHFFFAOYSA-N 271.342 -0.094 10 10 CBCE CS(=O)(=O)CCn1ccc2c(c1=O)CNCC2 1945573084 CTYDEBOYYOUZMD-UHFFFAOYSA-N 256.327 -0.461 10 10 CBCE C[C@](CCS(C)(=O)=O)(NCCN=[N+]=[N-])C(N)=O 1997981450 AUUVPHXCAYIATH-MRVPVSSYSA-N 263.323 -0.435 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@H](O)[C@H](O)C2)cc1 2068406604 MTCIMNJKVFZDLU-VXGBXAGGSA-N 250.298 -0.235 10 10 CBCE NCCN(CCN)S(=O)(=O)Cc1ccc(N)cc1 2071735301 JLSPYNPAVHNUJN-UHFFFAOYSA-N 272.374 -0.682 10 10 CBCE O=C(COC1CNC1)NCCc1ccc(O)c(O)c1 2091764225 PEZKNZBQIGHOFZ-UHFFFAOYSA-N 266.297 -0.255 10 10 CBCE CN1C[C@H](N)[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132419812 WQSRFKNTGDABJA-YUMQZZPRSA-N 267.285 -0.826 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@H](O)[C@H]1CF 2140658946 QGRBRONZVJSZKU-MATHAZKKSA-N 272.232 -0.992 10 10 CBCE O=C(O)[C@@H](F)C1(O)CN(C(=O)c2ccc(O)c(O)c2)C1 2172299992 GGBKOJCQSNSVET-SECBINFHSA-N 285.227 -0.293 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H]2C[C@H](O)C[C@@H]21 2185336439 FJBPVQQQSJRAJJ-KXUCPTDWSA-N 280.280 -0.143 10 10 CBCE CN(c1ccc(CO)c([N+](=O)[O-])c1)[C@H]1CC(=O)NC1=O 2188576055 LJRNUAPJTSVXCS-JTQLQIEISA-N 279.252 -0.062 10 10 CBCE NCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(F)c1F 2234107407 QTGFKMUILRNPLW-GXFFZTMASA-N 288.294 -0.282 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OC)cc1CO 2235970998 WOTNLAXELLXUAH-RDBSUJKOSA-N 283.324 -0.256 10 10 CBCE CSc1ncc(CNC[C@@H]2NC[C@@H](O)[C@H]2O)s1 2248730305 WULQWSJWPXWIEB-YIZRAAEISA-N 275.399 -0.352 10 10 CBCE CN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(N)cc2)C1=O 37274032 SQXAVTRQOBIAQR-UHFFFAOYSA-N 290.279 -0.348 10 10 CBCE C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 110666519 AEQCALUHSAOHIX-SCZZXKLOSA-N 293.323 -0.686 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@H](O)[C@H](CO)C1 396791630 CXDPPYVZHMCPRM-WCBMZHEXSA-N 267.281 -0.087 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)C[C@@H]1CO 698125229 CTBJMKIZKKTXRT-BDAKNGLRSA-N 253.254 -0.335 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@](C)(O)Cn1c(C)cccc1=O 808546407 LSOMXASJKUCMPC-AWEZNQCLSA-N 295.291 -0.391 10 10 CBCE O=C1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CN1 1466600941 CKEUHANAOVABJF-MRVPVSSYSA-N 250.254 -0.355 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC[C@H](O)CO)cc1 2061851941 FBVNXJZOAMDKJD-NSHDSACASA-N 274.342 -0.569 10 10 CBCE N[C@H](CCO)C(=O)NCCc1ccc(O)c(O)c1 2073236085 ZYZVOWDWGVAUIE-SECBINFHSA-N 254.286 -0.534 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2081037582 ZMMDXDJTTIVVDR-WTFGDDLMSA-N 252.314 -0.391 10 10 CBCE NC(=O)[C@@H]1CCN1c1cc2c(cc1F)[C@@H](O)C(=O)N2 2089369580 OZLKPQGXQOTRNC-WCBMZHEXSA-N 265.244 -0.125 10 10 CBCE N[C@H](CCCCNC(=O)c1cc(O)nc(O)c1)C(=O)O 2151562734 XMCDMKPRRMYYGK-MRVPVSSYSA-N 283.284 -0.195 10 10 CBCE COc1cc2c(cc1OC)N1CC(=O)NC[C@@H]1C(=O)N2 2155074674 RFPWHGPHJWTKOZ-SECBINFHSA-N 277.280 -0.039 10 10 CBCE NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CC1 2159808911 HJNZLBZDEIFMDF-QMMMGPOBSA-N 279.296 -0.898 10 10 CBCE NC[C@@]1(CO)COCCN1C(=O)Cc1ccc(N)cc1 2191722578 XULQOIBYQMYJLC-CQSZACIVSA-N 279.340 -0.640 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CCN1Cc1c(O)cccc1F 2201083230 XTFNOHSRQSTCSA-SRVKXCTJSA-N 285.271 -0.088 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)C[C@@H](CO)C1 2236623614 OFAWNFGSLDSYMS-DTORHVGOSA-N 282.296 -0.444 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]1[C@@H](O)CO 2270717458 YLZUVBGSESZIKR-CABZTGNLSA-N 267.281 -0.406 10 10 CBCE CN1C(=O)C(=Cc2csnn2)C(=O)N(C)C1=O 44012863 BFDMXFDTZIAYJI-UHFFFAOYSA-N 252.255 -0.028 10 10 CBCE NC(=O)CNS(=O)(=O)CCOc1ccc(N)cc1 70490471 SUTLPMNFSCPYMU-UHFFFAOYSA-N 273.314 -0.948 10 10 CBCE N[C@H](c1nnc([C@H](O)CO)o1)c1ccc(O)cc1O 83494118 VQZXEBYEWYOCJB-BDAKNGLRSA-N 267.241 -0.445 10 10 CBCE CNC(=O)[C@H]1CNCCN1Cc1ccc(O)cc1O 89082408 VONCNNFZIKNJIK-LLVKDONJSA-N 265.313 -0.382 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CNCC[C@H]2O)cc1 1876407363 XWGOJFLYPDPPGR-NWDGAFQWSA-N 285.369 -0.589 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)c1cccc(O)c1O 2046405165 GBDLLKAUPQZJGY-IONOHQLYSA-N 253.254 -0.288 10 10 CBCE O=C1NC[C@H](CNC(=O)c2ccc(O)c(O)c2)O1 2066435339 SEKSETKQYBLSKV-ZETCQYMHSA-N 252.226 -0.064 10 10 CBCE Nc1cccc(C(=O)O)c1N[C@H]1CS(=O)(=O)C[C@@H]1O 2121464585 FWKRMAQCJHZZHC-IUCAKERBSA-N 286.309 -0.463 10 10 CBCE NC[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2132418558 LJTWDWRCPXDUGO-QMMMGPOBSA-N 268.269 -0.397 10 10 CBCE O=C1N[C@H]2CN(c3ccc(CO)cc3F)C[C@@H]2NC1=O 2166791486 SVXOKBSBQNDTOI-UWVGGRQHSA-N 279.271 -0.879 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311702698 BNCMSSBVQCCQQL-NZBQSGDWSA-N 253.298 -0.357 10 10 CBCE CNC(=O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 45007610 ZJQTVXTYJXUFKO-VIFPVBQESA-N 281.312 -0.780 10 10 CBCE NC(=O)[C@@H]1COCCN1c1cc2c(cc1N)OCCO2 158788220 ISCNGJXOLMCNJA-JTQLQIEISA-N 279.296 -0.270 10 10 CBCE CN(Cc1ccccc1O)C(=O)C[C@@H]1NC(=O)NC1=O 763910486 QJUROQIOMNNGAD-VIFPVBQESA-N 277.280 -0.051 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)C(CO)CO 2068577649 OFHVGGLJLFTOPY-UHFFFAOYSA-N 257.242 -0.771 10 10 CBCE Nc1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 2121365625 WMOUCBLUNJLZHV-UWVGGRQHSA-N 285.325 -0.452 10 10 CBCE COCCOC[C@H](O)Cn1ccc2c(c1=O)CNCC2 2155677197 AYSIZQGQOZPPIV-GFCCVEGCSA-N 282.340 -0.482 10 10 CBCE CS(=O)(=O)[C@@H]1CNC[C@@H]1NC(=O)Cc1ccc(N)cc1 2192674352 GDVCYLKOUFTTEY-NWDGAFQWSA-N 297.380 -0.688 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CO)cc1 2218513455 QHMXBJNOCHDSSN-JHJVBQTASA-N 253.298 -0.264 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@H]1CO 2233747081 QVVUZOPDYMMDPA-DCAQKATOSA-N 280.324 -0.145 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)c1cc(=O)[nH]cn1 164549807 LECVBIIFYFSGOQ-UHFFFAOYSA-N 273.296 -0.156 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](O)C1)CCC(=O)N2 236364347 VBBCLSGUXZFZSF-RYUDHWBXSA-N 263.297 -0.305 10 10 CBCE Cn1nncc1N(CC(N)=O)Cc1ccc(N)cc1 381878658 YZCYMJCQZHOAFQ-UHFFFAOYSA-N 260.301 -0.111 10 10 CBCE Nc1ccc(OC[C@H](O)CN(CCO)CCCO)cc1 385554000 JQYUXHGBRSGWDC-CYBMUJFWSA-N 284.356 -0.315 10 10 CBCE CN(C(=O)CN1CCOC[C@@H](O)C1)c1ccc(N)cc1 399837009 ALONZAFREGMTHQ-ZDUSSCGKSA-N 279.340 -0.075 10 10 CBCE O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(O)c(O)c(O)c1 1148586758 XBCMMPCRVATWFW-SSDOTTSWSA-N 287.293 -0.280 10 10 CBCE CCOC(=O)CN(CC(N)=O)C(=O)c1cccc(O)c1O 1625747294 IEXCQZPJRJUYSL-UHFFFAOYSA-N 296.279 -0.412 10 10 CBCE Nc1ccc(-n2nnc(C(=O)NCCc3cnc[nH]3)n2)cc1 1857878575 IAZIDBSAFOLTMD-UHFFFAOYSA-N 298.310 -0.060 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N(CCO)CCO 2027477777 FOBGSBAAMLNFAM-UHFFFAOYSA-N 255.270 -0.547 10 10 CBCE NCc1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1 2121545971 MXJBVMSQPJJUPN-CQSZACIVSA-N 265.357 -0.380 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 2136572857 JJLGWFSNZIXUCD-MBTKJCJQSA-N 262.265 -0.099 10 10 CBCE CS(=O)(=O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 235050245 LLNPWIQGTJQUEO-ZETCQYMHSA-N 274.298 -0.957 10 10 CBCE O=C(NCC1CS(=O)(=O)C1)c1cccc(O)c1O 702012240 OBNAATXQRIJIAR-UHFFFAOYSA-N 271.294 -0.128 10 10 CBCE NC(=O)C1(O)CN(CCOc2ccc(N)cc2)C1 1915220966 PUOYFOPJZFNACO-UHFFFAOYSA-N 251.286 -0.820 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@H]1O)c1cc(O)ccc1O 2108831326 LOQOQSMXDWOFFD-LKBQTESNSA-N 269.297 -0.397 10 10 CBCE O=C1C[C@@H](C(=O)O)N(C(=O)Cc2ccc(O)c(O)c2)N1 2144382753 UVGQOCLOSCONTB-ZETCQYMHSA-N 280.236 -0.643 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@H]1[C@@H](O)CO 2146324023 RASVWNPQWOSRNN-CABZTGNLSA-N 283.280 -0.708 10 10 CBCE CO[C@@H]1C[C@@H](CN)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188913484 SEMMKBZDTXENDN-DTWKUNHWSA-N 282.296 -0.008 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2329333755 YEYQEGQDTZTNBW-HBKOLKPQSA-N 265.265 -0.336 10 10 CBCE COc1cccc([C@@H](N)C(=O)NC[C@@H](C)O)c1O 83398272 KEAYXGPOWWSWDG-GMSGAONNSA-N 254.286 -0.102 10 10 CBCE CCO[C@@H]1C[C@H](N)[C@H]1NC(=O)c1cc(O)nc(O)c1 250487870 HMHVEDPBIFNCAY-VAOFZXAKSA-N 267.285 -0.273 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN([C@H]2CS(=O)(=O)C[C@H]2O)C1 1912158429 XJFKLHGVEKKYDS-XHNCKOQMSA-N 260.319 -0.224 10 10 CBCE C[C@](NCCN=[N+]=[N-])(C(N)=O)C1CCS(=O)(=O)CC1 1912187096 FKCLBBKIUZCDPA-SNVBAGLBSA-N 289.361 -0.045 10 10 CBCE Nc1ccc(N2C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C2=O)cc1F 1924759372 XLRBFBKDZSKMBA-HTQZYQBOSA-N 298.295 -0.058 10 10 CBCE O=C(NCCC(CO)CO)c1cccc(O)c1O 2064518444 OYSSHIQOKKGFKL-UHFFFAOYSA-N 255.270 -0.182 10 10 CBCE NCCOCCNC(=O)COc1ccc(N)cc1 2071677408 UUVOGDVBRWNTOR-UHFFFAOYSA-N 253.302 -0.261 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)CC(CO)CO 2094064919 KYXHZKVZIPHLAG-UHFFFAOYSA-N 269.297 -0.187 10 10 CBCE C[C@](O)(CCO)CNC(=O)COc1ccc(N)cc1 2107438743 PJMRZOIXYMTXJY-ZDUSSCGKSA-N 268.313 -0.103 10 10 CBCE NC1CN(CC(=O)NCCc2ccc(O)c(O)c2)C1 2113022087 UZXIHXXNMSQAMS-UHFFFAOYSA-N 265.313 -0.601 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)[C@@H](CO)C1 2132348409 LBVNOSCCPOWQLL-GMSGAONNSA-N 269.253 -0.771 10 10 CBCE COc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)c(N)c1 2166790481 HKLAIRSVNKOZEV-AOOOYVTPSA-N 276.296 -0.919 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2[C@@H]3C[C@@H]2CN3)cc1 2191646274 SJEDMPCVFWOFCQ-ICCXJUOJSA-N 297.380 -0.073 10 10 CBCE NCCCC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2289770347 JTYWFFMTKRYSRA-MRVPVSSYSA-N 283.284 -0.195 10 10 CBCE CSc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1CN 2353849210 QTLUNGSRYDTYPN-LOWVWBTDSA-N 284.381 -0.230 10 10 CBCE CCNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40460292 OKBJMRPFPKKZIZ-VIFPVBQESA-N 281.312 -0.780 10 10 CBCE O=C(O)CNC[C@H]1NCCc2c1cc(O)c(O)c2O 75819302 IHWDELCJSQGOCH-MRVPVSSYSA-N 268.269 -0.336 10 10 CBCE CS(=O)(=O)[C@H]1CCC[C@@]1(NCCN=[N+]=[N-])C(N)=O 90258233 ZDSIVZAUALXRBQ-CBAPKCEASA-N 275.334 -0.293 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCOC[C@H]1CO 168093899 SRXGCXBCAXQSOG-MNOVXSKESA-N 296.323 -0.813 10 10 CBCE Nc1ccc(N2C(=O)[C@@H]3CNC(=O)CN3C2=O)cc1 230923831 OKDQVHUXMYJTOW-VIFPVBQESA-N 260.253 -0.464 10 10 CBCE NC(=O)CS(=O)(=O)CC(=O)Nc1ccc(N)cc1 306039907 TWPQSRDHTMUOMK-UHFFFAOYSA-N 271.298 -0.893 10 10 CBCE O=C(NCc1ccccc1O)[C@H]1Cn2cnnc2CN1 694741314 JIVUXCXAJNYGIG-SNVBAGLBSA-N 273.296 -0.228 10 10 CBCE NC(=O)CN1CCN(CCOc2ccc(N)cc2)CC1 700800948 IXXNIOXFKRSGBL-UHFFFAOYSA-N 278.356 -0.250 10 10 CBCE NC(=O)CC1CN(C(=O)Cc2ccc(O)c(O)c2)C1 1625962907 TXSOURMAKPHSSK-UHFFFAOYSA-N 264.281 -0.026 10 10 CBCE O=C(CCc1nn[nH]n1)NCc1ccc(O)cc1O 1638353013 YWXXYHMYWTXUDL-UHFFFAOYSA-N 263.257 -0.140 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@H]2CNCCN2)cc1 2104185178 JZRBHOWCDJGAEJ-CYBMUJFWSA-N 262.357 -0.070 10 10 CBCE CO[C@H]1CN[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 2115850087 DKLFGGCKAYLNCM-DTWKUNHWSA-N 267.285 -0.401 10 10 CBCE C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1O)c1cc(O)ccc1O 2121364775 QLHYKRGNESEUMH-JWYUURKGSA-N 287.337 -0.094 10 10 CBCE Nc1ccc(CCNC(=O)[C@H]2CN3CCN2CC3)cc1 2155737455 AFVRWVVUALUZOV-CQSZACIVSA-N 274.368 -0.073 10 10 CBCE N[C@@H]1CCc2cc(N3CC[C@@](O)(CO)[C@H](O)C3)ccc21 2234097598 VIDJJMXAAAAMPS-RBSFLKMASA-N 278.352 -0.073 10 10 CBCE NC(=O)c1nc(CNCc2cccc(O)c2O)no1 2270255907 ZXDBTNGGXMBNRP-UHFFFAOYSA-N 264.241 -0.131 10 10 CBCE O=C1Nc2cc(N3CC[C@@H]3[C@H](O)CO)c(F)cc2[C@@H]1O 2286213747 XCKDHDMNJDCYQH-JLLWLGSASA-N 282.271 -0.257 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2332920059 LZCVVIWFPNHQEW-YAUNCSCZSA-N 270.304 -0.252 10 10 CBCE O=[N+]([O-])c1ccc(N2CC([C@H](O)CO)C2)cc1CO 2336885051 OYWJZQNRCWCGLT-GFCCVEGCSA-N 268.269 -0.124 10 10 CBCE COCCN(CCO)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 164272591 ZPGJMISHLJRNCO-NSHDSACASA-N 298.339 -0.565 10 10 CBCE O=C(N[C@@H]1COC[C@H]1C(=O)O)c1ccc(O)c(O)c1 236461969 MSQUOSDWPDFSLD-HTQZYQBOSA-N 267.237 -0.073 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1 396864548 SWPWCDDJIRSBNT-GXFFZTMASA-N 280.324 -0.151 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)[C@@H]1COC[C@@H]1O 708138350 LYGSUVKDIQUBIS-RNCFNFMXSA-N 267.281 -0.028 10 10 CBCE CC(=O)C(=O)COC(=O)CCn1ccccc1=O 808504660 IQFOCDVZKHYOKU-UHFFFAOYSA-N 251.238 -0.060 10 10 CBCE NC[C@@H]1C[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 1876416774 BCTKOABQYFYKNC-JOYOIKCWSA-N 285.369 -0.086 10 10 CBCE COC[C@H](NCc1ccc(O)c(O)c1O)C(N)=O 2034939924 JRYRHJLPRFIVGD-ZETCQYMHSA-N 256.258 -0.607 10 10 CBCE Cc1cccc(O)c1CNCCCNS(N)(=O)=O 2042628161 OYLKSFCSRNXKQW-UHFFFAOYSA-N 273.358 -0.027 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2063741379 XBNVJLMQJFBFRN-NEPJUHHUSA-N 250.298 -0.544 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)ccc1O 2108831324 LOQOQSMXDWOFFD-CZFNTMQRSA-N 269.297 -0.397 10 10 CBCE CN(C)[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1O 2146163123 WWTVYRNFMDIIMC-CHWSQXEVSA-N 279.340 -0.219 10 10 CBCE O=S1(=O)CCN(Cc2ccc(O)cc2O)C2(CNC2)C1 2183499586 JRQCFGAFRLOWFO-UHFFFAOYSA-N 298.364 -0.330 10 10 CBCE CN1CCN(C(=O)C2=C[C@@H](O)[C@@H](N)C2)c2cccnc21 2188029567 GMFYAJHNZOKYAG-CMPLNLGQSA-N 274.324 -0.117 10 10 CBCE NC[C@H]1CO[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188908192 AOTBJFOUNKXPBQ-IONNQARKSA-N 282.296 -0.103 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 2207462060 TYITWDASHFBJPK-ZJUUUORDSA-N 299.352 -0.408 10 10 CBCE COCC[C@H](N)CNC(=O)c1cc(O)nc(O)c1 2218568275 BXIVXTPQESWYCA-QMMMGPOBSA-N 255.274 -0.414 10 10 CBCE O=[N+]([O-])c1ccc(N2CC([C@@H](O)CO)C2)cc1CO 2336885052 OYWJZQNRCWCGLT-LBPRGKRZSA-N 268.269 -0.124 10 10 CBCE NCCOCC(=O)N1CCc2cc(O)c(O)cc2C1 2341144557 CDHHHESPYXNNBY-UHFFFAOYSA-N 266.297 -0.042 10 10 CBCE O=C(NC1(C(=O)O)CCOCC1)c1cc(O)nc(O)c1 131726754 RERAOBFSUQFVLH-UHFFFAOYSA-N 282.252 -0.144 10 10 CBCE CN1CCN(C(=O)COc2ccc(N)cc2)[C@@H](CO)C1 699433626 JABNGIUOSBYIMP-GFCCVEGCSA-N 279.340 -0.218 10 10 CBCE CN(CCS(=O)(=O)CCC(N)=O)c1ccc(N)cc1 702122102 XLQTVQLBBQRUAK-UHFFFAOYSA-N 285.369 -0.005 10 10 CBCE N[C@@H]1COCC[C@H]1NC(=O)c1ccc(O)c(O)c1 707038562 AMJSHMURVIGSQR-RKDXNWHRSA-N 252.270 -0.056 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(CN)cc1C 720544042 PORQSTRINFTNTQ-UHFFFAOYSA-N 278.356 -0.248 10 10 CBCE CNC[C@H](O)CN(C)C(=O)Cc1ccc(N)cc1 1354462150 MAGDZMNCEBWEQE-LBPRGKRZSA-N 251.330 -0.150 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN2C(=O)NC[C@H]2C1 1566192296 WNBBXBDIJZRVRZ-JTQLQIEISA-N 291.307 -0.124 10 10 CBCE CN(C)C(=O)CNC(=O)Cc1ccc(O)c(O)c1 1629069382 RWXQFFVZQKIFIN-UHFFFAOYSA-N 252.270 -0.155 10 10 CBCE CN1C(=O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1=O 1876532993 JGQYSWFOQZAVEH-UHFFFAOYSA-N 283.309 -0.007 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)C1 1912158426 XJFKLHGVEKKYDS-DJLDLDEBSA-N 260.319 -0.224 10 10 CBCE C[C@@H]([C@](C)(NCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2004028158 VGVYPOSPYYDLGF-XPUUQOCRSA-N 263.323 -0.437 10 10 CBCE NCCOCC(=O)NCCc1ccc(O)c(O)c1 2031071872 WOFUVRGMTKKTJT-UHFFFAOYSA-N 254.286 -0.268 10 10 CBCE Cn1cc(S(=O)(=O)NCc2cc(N)ccc2O)nn1 2088150736 DMTZQTFIMKKZNR-UHFFFAOYSA-N 283.313 -0.419 10 10 CBCE NCc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1F 2090137510 ZOUUPJFHJAKNCY-QWHCGFSZSA-N 270.304 -0.157 10 10 CBCE N[C@@H]1CC(C(=O)N2CCOc3ncccc32)=C[C@@H]1O 2131477551 VZPAIFUMMLXDAJ-KOLCDFICSA-N 261.281 -0.175 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 2136584771 JJLGWFSNZIXUCD-DIYOJNKTSA-N 262.265 -0.099 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)NCC(=O)O 2156999050 VCAVOIXSLRIKNQ-UHFFFAOYSA-N 280.284 -0.650 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOCCC12CNC2 2167634127 IYWCHDZULVUARB-UHFFFAOYSA-N 279.296 -0.303 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](N)[C@H]3COC[C@@H]32)cc1 2191531534 SQORZMXAQHPVOY-AGIUHOORSA-N 297.380 -0.244 10 10 CBCE CNCc1ccc(N2CC[C@@](O)(C(N)=O)C2)cc1OC 2204557054 LEHOPBTUJDZJMP-AWEZNQCLSA-N 279.340 -0.159 10 10 CBCE N=c1nnc(OC[C@@H](N)CC2CCOCC2)n[nH]1 2219020622 JQUIVPYXZBKBOX-QMMMGPOBSA-N 254.294 -0.798 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1C 2219693892 FQNGFAWVIACQAT-MDZLAQPJSA-N 253.298 -0.094 10 10 CBCE NC(=O)[C@H]1C[C@H]1C(=O)NCCOc1ccc(N)cc1 2268352051 IANFFQDMSJWGEJ-WDEREUQCSA-N 263.297 -0.115 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)O 2332874540 ZUIWACDMDQOKPA-KPQFEUGASA-N 267.281 -0.056 10 10 CBCE N[C@@H](c1nnc([C@@H](O)CO)o1)c1cccc(O)c1O 83494129 ADDKORRWDYMEHD-JGVFFNPUSA-N 267.241 -0.445 10 10 CBCE CN1CCN(C[C@H](O)COc2ccc(N)cc2)CC1=O 84198037 NAHYWNNRQVXADT-LBPRGKRZSA-N 279.340 -0.218 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCOC[C@@H]2CO)cc1 167995701 XQEUQBQJKMBPNZ-STQMWFEESA-N 282.340 -0.298 10 10 CBCE NC[C@@H]1COCCN1C(=O)c1ccc(O)c(O)c1 236169833 DRBCJRONSWPRPZ-SECBINFHSA-N 252.270 -0.103 10 10 CBCE C[C@@H](O)[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2068579471 XNKPNEKQTOYEBW-MLUIRONXSA-N 257.242 -0.725 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1 2132128774 DUPUSTKNISEOEW-NEPJUHHUSA-N 286.353 -0.474 10 10 CBCE CO[C@@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132408085 UHHZZIJWVGJTCF-OIBJUYFYSA-N 269.253 -0.053 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@H](N2CC(O)C2)C1 2158749626 WAXXCLSOYWUXQL-VIFPVBQESA-N 278.308 -0.011 10 10 CBCE C[C@@H](NC(=O)C(N)(CO)CO)c1ccccc1O 2320909972 HARNQIFDUVVVQF-MRVPVSSYSA-N 254.286 -0.749 10 10 CBCE Cc1cccc(CNC(=O)[C@@H](N)CS(C)(=O)=O)c1O 2335400834 NWSDNEOXXORPFK-JTQLQIEISA-N 286.353 -0.311 10 10 CBCE CN1C(=O)C[C@H](NCc2cc3c(cc2O)OCO3)C1=O 116074067 QXXWHFPRMYMMIY-QMMMGPOBSA-N 278.264 -0.032 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2CNC[C@H]21 686540700 HGDXEXXPOSKMMR-BXKDBHETSA-N 264.281 -0.089 10 10 CBCE Nc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1 846321650 IEHNOVPZORKAFP-WKFQBHICSA-N 276.296 -0.413 10 10 CBCE O=C(Cn1cnnn1)NCc1c(O)cccc1F 1156163785 FHFDHDDRXZQNFD-UHFFFAOYSA-N 251.221 -0.166 10 10 CBCE NS(=O)(=O)NCCCNCc1ccc(F)cc1O 2084173560 WQPPEUKSCWFFCQ-UHFFFAOYSA-N 277.321 -0.196 10 10 CBCE O=C(NC[C@@H]1C[C@@H](O)CCO1)c1cc(O)nc(O)c1 2097945769 MTRSCBLAIUTFSG-IUCAKERBSA-N 268.269 -0.238 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CNCC[C@@H]1O 2126890063 UAAGDERQWGWPHX-UWVGGRQHSA-N 266.297 -0.521 10 10 CBCE NC(=O)COC1CN(C(=O)COc2ccc(N)cc2)C1 2145375889 UNSTUUBMHGYIHG-UHFFFAOYSA-N 279.296 -0.640 10 10 CBCE CN[C@H]1COC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2148003918 LNYYOEPVMOYLNF-QWRGUYRKSA-N 280.324 -0.009 10 10 CBCE CCNC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 2188868784 WWOPLSZZEWUSMV-UHFFFAOYSA-N 283.284 -0.148 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)CC13CNC3)OCCO2 2191461329 ZFTJCLPVHNWVFM-SECBINFHSA-N 277.324 -0.047 10 10 CBCE COC(=O)CS(=O)(=O)Nc1ccc(O)c(N)c1 2214991085 DQRSJEPDXKCSTO-UHFFFAOYSA-N 260.271 -0.111 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc2c(c1)CCO2 2219585976 HBSRPHOEUIWEFU-WZRBSPASSA-N 251.282 -0.476 10 10 CBCE CN(C(=O)CN1CCOC[C@@H]1CO)c1ccc(N)cc1 168016454 UAFVFZFMXLXQKN-ZDUSSCGKSA-N 279.340 -0.075 10 10 CBCE CN(C(=O)CN1C[C@@H](O)[C@@H](CO)C1)c1ccc(N)cc1 316045507 FXGBERRGUDBOAV-ZWNOBZJWSA-N 279.340 -0.483 10 10 CBCE NC(=O)[C@@]1(O)CCN(C(=O)CCc2ccc(N)cc2)C1 380177166 AMQJVMCICBAGDB-CQSZACIVSA-N 277.324 -0.350 10 10 CBCE CN1CC[C@@](O)(CNC(=O)c2ccc(O)c(O)c2)C1 702572103 YYCVQOBFQYNADZ-CYBMUJFWSA-N 266.297 -0.106 10 10 CBCE COC(=O)[C@H](NC(=O)c1ccc(O)c(O)c1)[C@@H](C)O 707772780 GNLAEQRZHMFPGV-LHLIQPBNSA-N 269.253 -0.250 10 10 CBCE COC[C@@H](ONC(=O)c1cc(O)nc(O)c1)C(=O)O 709590089 VILFJMHYIGQXPN-ZCFIWIBFSA-N 272.213 -0.746 10 10 CBCE CN(C)S(=O)(=O)N1CC(NCc2ccccc2O)C1 858311520 HVKQHDCXWXFOHZ-UHFFFAOYSA-N 285.369 -0.028 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@H](CCO)C1 1971149266 AGGLQZBRSUWDGB-LLVKDONJSA-N 280.324 -0.177 10 10 CBCE NCCOC1CN(C(=O)c2cccc(O)c2O)C1 2034842110 CMCHHMQBIPPFIG-UHFFFAOYSA-N 252.270 -0.103 10 10 CBCE CN(c1ccc(CO)c([N+](=O)[O-])c1)C(CO)CO 2068304157 PSRHPKSQEWNIEZ-UHFFFAOYSA-N 256.258 -0.124 10 10 CBCE CNCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1 2090139167 PULNRZWLPHUJNW-KBPBESRZSA-N 266.341 -0.036 10 10 CBCE COC[C@H](NC(=O)CCc1ccc(N)cc1)C(N)=O 2096063158 QQHKVTVGDVTURC-NSHDSACASA-N 265.313 -0.182 10 10 CBCE NC[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2097867526 AEWPAINJLGDDMJ-ZJUUUORDSA-N 266.297 -0.270 10 10 CBCE NC(=O)c1cccc(N)c1NC1[C@H]2CS(=O)(=O)C[C@H]12 2118018521 YCKADPWDTBYHGV-YUMQZZPRSA-N 281.337 -0.177 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2160716442 MNSNSXGWJODFCQ-GWNIPJSYSA-N 298.364 -0.476 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H](O)[C@@H]2O 2182538718 OSAQWUCASXZTHA-IWXIMVSXSA-N 280.280 -0.694 10 10 CBCE CN(C)C[C@](C)(O)CNC(=O)c1cc(O)c(O)c(O)c1 2188867771 GLPFVPNBTMHVMX-CYBMUJFWSA-N 284.312 -0.154 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(O)cc1O 2201089912 IASAANMDBOXHHI-USWWRNFRSA-N 283.280 -0.522 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1CCNC(=O)[C@H]1C(N)=O 2240828282 BUWFUJUIXOWLMK-BXKDBHETSA-N 277.324 -0.162 10 10 CBCE Cn1c(O)cc(=O)n(C(=O)Nc2ccc(N)cc2)c1=O 2280566836 HWXGYNAFSMTSHF-UHFFFAOYSA-N 276.252 -0.085 10 10 CBCE C[C@@H]1O[C@@H](Oc2ccc(N)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 402619 CITVZWPAGDTXQI-UHUARQJVSA-N 255.270 -0.525 10 10 CBCE Nc1ccc(-n2nnc(C(=O)N3CCOCC3)c2N)cc1 71405161 SUFHKLVENWAWKD-UHFFFAOYSA-N 288.311 -0.096 10 10 CBCE NCc1ccc(N2CC(=O)NC(=O)C2)c(F)c1F 236205222 SSWGOCXYNFIEMM-UHFFFAOYSA-N 255.224 -0.114 10 10 CBCE CN(CC(=O)NCc1cc(O)ccc1O)S(C)(=O)=O 1643879204 FROKURTUOLFNCG-UHFFFAOYSA-N 288.325 -0.395 10 10 CBCE NC[C@@H]1COC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876465751 KAELWPDFYZUNDI-ZYHUDNBSSA-N 285.369 -0.338 10 10 CBCE NC(=O)C1(O)CN(c2cc3c(cc2N)OCCO3)C1 1915248212 CCMQHILOUQLQLV-UHFFFAOYSA-N 265.269 -0.924 10 10 CBCE O=C(N[C@H]1CCNC[C@@H]1F)c1cc(O)nc(O)c1 2029909671 RNHKIZYDOXAFSK-YUMQZZPRSA-N 255.249 -0.077 10 10 CBCE COC[C@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1 2101360009 CZMYPPIGKDFIRL-LBPRGKRZSA-N 267.285 -0.399 10 10 CBCE N[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1COC1 2104851947 VZEFHRVYYFCNPY-LBPRGKRZSA-N 266.297 -0.270 10 10 CBCE NC(=O)[C@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 2132349851 HXBYLBNMSAYHBD-SSDOTTSWSA-N 266.253 -0.107 10 10 CBCE N[C@@H]1COCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132416983 BEXWCFDARSFABR-HTQZYQBOSA-N 268.269 -0.351 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CNCC[C@H]2CO)cc1 2191651422 YPJGFLUVIKIVNJ-GXFFZTMASA-N 279.340 -0.266 10 10 CBCE Nc1ccc(CCNC(=O)c2c[nH]c(=O)[nH]c2=O)cc1 63129874 UDZPZVSJALKYFL-UHFFFAOYSA-N 274.280 -0.382 10 10 CBCE O=C(O)[C@@H](O)[C@@H]1NCCc2c1cc(O)c(O)c2O 75818769 RHPREIRXBIDFAP-XCBNKYQSSA-N 255.226 -0.564 10 10 CBCE COCCNC(=O)[C@@H](C)NC(=O)c1cccc(O)c1O 126533010 OSURPTVQEQONCZ-MRVPVSSYSA-N 282.296 -0.021 10 10 CBCE C[C@](CO)(NC(=O)c1ccc(O)c(O)c1)C(=O)O 313518312 JRZZVJCGHLJEPB-LLVKDONJSA-N 255.226 -0.337 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1COC[C@@H]1O 709155674 FCYFKHDSCMVAQG-NEPJUHHUSA-N 266.297 -0.134 10 10 CBCE O=C(NCc1nnc2n1CCNC2=O)c1cc(O)cs1 1176204263 TWQKMGWNXVQCPP-UHFFFAOYSA-N 293.308 -0.281 10 10 CBCE O=C(NCc1cccc(O)c1O)[C@@H]1CCS(=O)(=O)N1 1176576994 XAJHRSUINOXXET-QMMMGPOBSA-N 286.309 -0.594 10 10 CBCE Nc1ccc(CNC(=O)C2CS(=O)(=O)C2)cc1 1356228137 OVFHOYWHQYBATF-UHFFFAOYSA-N 254.311 -0.070 10 10 CBCE O=C(CN1C(=O)CCC1=O)NCc1cc(O)ccc1O 1593869395 UOVZJOLESCTBEZ-UHFFFAOYSA-N 278.264 -0.137 10 10 CBCE [N-]=[N+]=NC1CN(CC2(O)CCS(=O)(=O)CC2)C1 2003644478 CGSXSMZVIXVDGK-UHFFFAOYSA-N 260.319 -0.079 10 10 CBCE C[C@H](CO)S(=O)(=O)NCCc1ccc(O)c(O)c1 2040046028 SOXDILVOCFQSCM-MRVPVSSYSA-N 275.326 -0.060 10 10 CBCE CO[C@@H]1C[C@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 2109020497 SLFZPGCFLSUMBO-DTWKUNHWSA-N 268.269 -0.285 10 10 CBCE O=C(O)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1F 2120644507 DRLIWNHRWOSRID-BQBZGAKWSA-N 270.216 -0.013 10 10 CBCE NC[C@@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2132400404 MLGYTRBWJKBLMT-MRVPVSSYSA-N 268.269 -0.397 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H](N2CC(O)C2)C1 2158749871 YRTKXBUEMBSETD-SNVBAGLBSA-N 278.308 -0.011 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2160716443 MNSNSXGWJODFCQ-IXOXFDKPSA-N 298.364 -0.476 10 10 CBCE CC1(C)[C@H](O)[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188875338 PVFAKGXKIYOKII-MWLCHTKSSA-N 283.280 -0.240 10 10 CBCE Nc1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 2191517209 SKEBTMXLKJMYOQ-UHFFFAOYSA-N 299.356 -0.378 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@H]4COC[C@H]43)ccc2[C@@H]1O 2354366091 AAPSRHAFXHFAHT-RYDUCSDGSA-N 276.292 -0.132 10 10 CBCE CN(C[C@@H](N)CN)c1ccc2c(c1)N(C)C(=O)CO2 259059875 QCQFGMKHXFKUGR-VIFPVBQESA-N 264.329 -0.236 10 10 CBCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CC(=O)N2CCC[C@@H]21 302341674 OKRUBFKKDLYGAF-KCJUWKMLSA-N 266.305 -0.105 10 10 CBCE Cn1nnnc1CNS(=O)(=O)Cc1ccc(N)cc1 389333204 SFHWSCGRRFIGQY-UHFFFAOYSA-N 282.329 -0.588 10 10 CBCE O=C(N[C@]1(CO)CCOC1)c1cc(O)nc(O)c1 393880946 VXQJUKKBADPQPC-NSHDSACASA-N 254.242 -0.626 10 10 CBCE COC[C@@H](ONC(=O)c1ccc(O)c(O)c1)C(=O)O 709600427 HBXHYWCAMSPYTJ-SECBINFHSA-N 271.225 -0.141 10 10 CBCE CONCCNS(=O)(=O)CCOc1ccc(N)cc1 1876465127 GJSZQCRTDQIUHS-UHFFFAOYSA-N 289.357 -0.282 10 10 CBCE Cc1cccc(CN[C@H]2CS(=O)(=O)C[C@H]2O)c1O 2057716881 DNKNNPULQLUQFQ-WDEREUQCSA-N 271.338 -0.052 10 10 CBCE CN1C[C@H](O)[C@@H](NC(=O)CCc2ccc(N)cc2)C1 2090335667 BMVPNPHEPNXMQT-STQMWFEESA-N 263.341 -0.008 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC2(CO)CNC2)cc1 2137084489 YJVYYUIUCOMSAS-UHFFFAOYSA-N 285.369 -0.730 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@@H]3COC[C@H]32)cc1 2158393175 PWCMEHJFIFRKOD-UPJWGTAASA-N 298.364 -0.210 10 10 CBCE CN(CC1(O)CNC1)c1cc2c(cc1N)OCC(=O)N2 2287302097 SLKREFUZNKZIIK-UHFFFAOYSA-N 278.312 -0.630 10 10 CBCE O=C(c1cccc(O)c1O)N1CCO[C@H](CO)C1 126495187 HNRHGAQFGLDEAO-QMMMGPOBSA-N 253.254 -0.069 10 10 CBCE CN1CCc2cc(CNC(=O)[C@@H](N)CC(N)=O)ccc21 169817229 RLGTWVILNZDXKO-NSHDSACASA-N 276.340 -0.502 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H](CO)[C@@H]1CO 709876221 UCUOHNLDNBAFKS-WPRPVWTQSA-N 282.296 -0.302 10 10 CBCE COc1ccc(N2CC[C@@H](NC(=O)C3(O)CNC3)C2)cc1 852900840 SUMLXYJUQPMPGZ-LLVKDONJSA-N 291.351 -0.276 10 10 CBCE Cn1c(CN2CC[C@H](N=[N+]=[N-])C2)cc(=O)n(C)c1=O 1912197385 SNOIJXAWJNXCHJ-QMMMGPOBSA-N 264.289 -0.031 10 10 CBCE CC1(C(N)=O)CN(c2cc3c(cc2N)OCC(=O)N3)C1 1914188567 IIMWWBLYXVBURM-UHFFFAOYSA-N 276.296 -0.089 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C2=O)cc1 1924763219 ZTLGCPNLSCKWPA-UWVGGRQHSA-N 280.305 -0.197 10 10 CBCE CN1C[C@H](O)[C@@H](NCc2ccc(O)c(O)c2O)C1 2029870798 PUXJVMMTZKHPMK-WPRPVWTQSA-N 254.286 -0.432 10 10 CBCE O=C(N[C@H]1COC[C@H]1O)c1cc(O)c(O)c(O)c1 2068575433 CNSIPRAPBHACRK-IMTBSYHQSA-N 255.226 -0.707 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)C[C@@H](O)C1 2105107176 DEBWHWFAIDYDHJ-NXEZZACHSA-N 267.281 -0.406 10 10 CBCE O=C(NC1[C@H]2CS(=O)(=O)C[C@H]12)c1cccc(O)c1O 2118058134 WJFMUFMTSSQWCP-YUMQZZPRSA-N 283.305 -0.129 10 10 CBCE NC(=O)NC1CN(C[C@H](O)COc2ccc(N)cc2)C1 2163217984 WBRWIENJSGYKKO-NSHDSACASA-N 280.328 -0.639 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 2182517162 DKIHCIDWLUCJOD-IVQVNHIISA-N 279.292 -0.089 10 10 CBCE CN(C)S(=O)(=O)C1CN(C(=O)Cc2ccc(N)cc2)C1 2187323561 FKAGYUUKPYRMHU-UHFFFAOYSA-N 297.380 -0.087 10 10 CBCE CN(Cc1nnn(C)n1)c1ccc2c(c1)NC(=O)[C@H]2N 2197846284 LBPUPDYFSYQUOK-NSHDSACASA-N 273.300 -0.202 10 10 CBCE CO[C@@H]1[C@@H](N)C[C@H]1NC(=O)c1ccc(O)c(O)c1 2258687644 QDHVODHZQUNGLA-VAOFZXAKSA-N 252.270 -0.058 10 10 CBCE CNC(=O)CCNS(=O)(=O)Cc1ccc(N)cc1 44987015 JFICOLQMPOMGTA-UHFFFAOYSA-N 271.342 -0.176 10 10 CBCE COC(=O)[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@H](C)O 707772783 GNLAEQRZHMFPGV-WKEGUHRASA-N 269.253 -0.250 10 10 CBCE C[C@]1(CO)CNCCN1C(=O)c1cccc(O)c1O 719181951 WHAKJIPGSBGRHZ-CYBMUJFWSA-N 266.297 -0.106 10 10 CBCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CCN)cc1 722213482 DAUWCCUWJHAMQG-UHFFFAOYSA-N 293.370 -0.242 10 10 CBCE C[C@H](NC(=O)c1cccc(O)c1O)C1(O)CNC1 1918697277 OXIKCKUTMNHZNH-ZETCQYMHSA-N 252.270 -0.450 10 10 CBCE O=C(O)C1([C@@H](O)Cc2ccc(O)c(O)c2)CNC1 1951473723 PUQIJSPDKHCPCH-JTQLQIEISA-N 253.254 -0.325 10 10 CBCE CCN[C@H]1COC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049785198 XENNVOOELYIWPN-NAKRPEOUSA-N 254.330 -0.124 10 10 CBCE Nc1ccc(NC(=O)NC[C@@H]2CNC[C@@H]2O)cc1 2071564591 AKRUCPNVKOJWMJ-KWQFWETISA-N 250.302 -0.029 10 10 CBCE CN(C)CCN(CCO)C(=O)c1cc(O)nc(O)c1 2099357697 QYIDRZFLCAMOER-UHFFFAOYSA-N 269.301 -0.511 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1 2118083675 JEVWNLUICYTWJF-PTEHBNRSSA-N 280.349 -0.030 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)[C@H](O)C1 2132165403 LFIOJWPJXRDZLN-CMPLNLGQSA-N 267.281 -0.406 10 10 CBCE O=C(O)CC[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2188867554 CORFQGIDIBDHJZ-ZETCQYMHSA-N 285.252 -0.241 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2[C@H]3OCC[C@@H]3[C@H]2N)cc1 2191634449 LONVTIZUKBMDOO-LPWJVIDDSA-N 297.380 -0.197 10 10 CBCE CN(CC1(O)CNC1)S(=O)(=O)Cc1ccc(N)cc1 2271700851 GDZGPJXCRYDAIT-UHFFFAOYSA-N 285.369 -0.635 10 10 CBCE N[C@H]1C[C@@]2(NC(=O)c3cc(O)c(O)c(O)c3)CO[C@H]1C2 2281289374 KCDQPYKMAASHQW-TXMMPKFLSA-N 280.280 -0.208 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC([C@@H](O)CO)C3)ccc21 2336781441 VKEWGWMAVXTQSR-RYUDHWBXSA-N 263.297 -0.572 10 10 CBCE O=C(O)CNC[C@H]1NCCc2c(O)ccc(O)c21 75799486 RPXDCUBJZIVEJF-MRVPVSSYSA-N 252.270 -0.041 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CNC(=O)CN3C2=O)cc1 230923834 OKDQVHUXMYJTOW-SECBINFHSA-N 260.253 -0.464 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)CC(N)=O 388800585 OXGRKDKRPOLIHK-SSDOTTSWSA-N 285.325 -0.504 10 10 CBCE NC(=O)N1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 393315133 HSXHOOPZDCQEAL-MRVPVSSYSA-N 265.269 -0.019 10 10 CBCE O=C(O)C[C@H](O)CNC(=O)c1cc(O)nc(O)c1 398401017 IHASHMBVBXMOKU-LURJTMIESA-N 256.214 -0.942 10 10 CBCE Nc1ccc(CCNC(=O)CN2C(=O)CNC2=O)cc1 701384216 GRPRWJYEJHSWKJ-UHFFFAOYSA-N 276.296 -0.521 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@@H](CO)C1 707589232 NJKOASAVZQBMDI-AXFHLTTASA-N 280.324 -0.145 10 10 CBCE CN(C[C@H](O)COc1ccc(N)cc1)[C@@H]1COC[C@H]1O 709265578 LFYHUBZCPSBTGH-IACUBPJLSA-N 282.340 -0.300 10 10 CBCE CN1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1625783729 ZPAOYTOJXZUTGD-VIFPVBQESA-N 264.281 -0.013 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2ccccc2O)C[C@H]1O 1890596843 LONVNKPDMXVAAZ-DGCLKSJQSA-N 267.281 -0.226 10 10 CBCE O=C(O)[C@@H]1C(=O)NC[C@@H]1c1cc(O)c(O)c(O)c1 1951593042 RYVFLZWZGWZJJE-XRGYYRRGSA-N 253.210 -0.282 10 10 CBCE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@@H](O)C(=O)O 2056769460 SJVNSYNIDRDWCV-RNHFCUEFSA-N 256.214 -0.943 10 10 CBCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1N 2058639171 MWTAFHMFOAWQIK-GZMMTYOYSA-N 252.270 -0.104 10 10 CBCE Nc1ccc(OCC(=O)NCC2(N)COC2)cc1 2071680661 NBYCAXSVHZAEOT-UHFFFAOYSA-N 251.286 -0.509 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)C[C@@H]1CO 2136063580 XEYTWUGZNWJUSB-RKDXNWHRSA-N 268.269 -0.549 10 10 CBCE C[C@H](N)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1O 2146328078 CPNDLYCBSXJGEU-WFBYXXMGSA-N 282.340 -0.030 10 10 CBCE CN1CCCc2cc(CNCCNS(N)(=O)=O)ccc21 2157532059 KFBWJXFOHCKAIL-UHFFFAOYSA-N 298.412 -0.048 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)COCC3)C[C@@H](O)[C@H]1O 2289344322 YHNACWLGMPCAKW-CFVMTHIKSA-N 279.336 -0.090 10 10 CBCE O=C(NCC(=O)N1CCNCC1)c1cccc(O)c1O 126658090 BYBSVGSNEDYRCD-UHFFFAOYSA-N 279.296 -0.741 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCCc2cccs2)C1=O 169995727 HFOWONGEZCCWEI-VIFPVBQESA-N 281.337 -0.084 10 10 CBCE O=C1CN(c2ccc3c(c2)OCO3)[C@H](C(=O)O)CN1 217042676 QKEGDUMPTMHODC-QMMMGPOBSA-N 264.237 -0.195 10 10 CBCE CN(CC(=O)O)c1ccc2c(c1)CC(=O)N2C[C@H](O)CO 259511191 RPXPQVGIFSUEKO-NSHDSACASA-N 294.307 -0.550 10 10 CBCE NC(=O)C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1 863943315 XCRYMRUKXGUPDA-ZETCQYMHSA-N 298.270 -0.047 10 10 CBCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](CO)NC(N)=O)c1 1630365876 HAGWYNYDADIJDL-OIBJUYFYSA-N 297.311 -0.393 10 10 CBCE CN(CCN=[N+]=[N-])S(=O)(=O)CCS(C)(=O)=O 1912162521 WZLZDCNPZKXNAV-UHFFFAOYSA-N 270.336 -0.397 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1O 2108832689 QWEDGMFSZNGFHM-LKBQTESNSA-N 269.297 -0.397 10 10 CBCE O=C(O)COC1CN(C(=O)Cc2ccc(O)c(O)c2)C1 2144814092 VVOFPBWHTCMZFA-UHFFFAOYSA-N 281.264 -0.048 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)cc1 2200908450 WRRIGJNBAQVXAB-YNEHKIRRSA-N 280.324 -0.308 10 10 CBCE CNCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(F)c1 2234099059 ZKILPAUVTSGGNE-KGLIPLIRSA-N 284.331 -0.161 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(OC)c1 2235128865 HVEXZBRMYCTNKG-ZIAGYGMSSA-N 283.324 -0.002 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]1[C@@H](O)CO 2270717460 YLZUVBGSESZIKR-SKDRFNHKSA-N 267.281 -0.406 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(CO)c1 2333715298 NBTYHUVVAKQUID-UPJWGTAASA-N 269.297 -0.910 10 10 CBCE CCNC(=O)CNC(=O)COc1ccc(N)cc1 40304285 OWCBGGNOYPQANF-UHFFFAOYSA-N 251.286 -0.100 10 10 CBCE Nc1ccc(NC(=O)CCCN2CC(=O)NC(=O)C2)cc1 97267566 FLUKPPJTVKDXCO-UHFFFAOYSA-N 290.323 -0.054 10 10 CBCE COC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 158716587 KIRAYVCJNVPIST-DTWKUNHWSA-N 298.295 -0.817 10 10 CBCE CC(=O)C(=O)COC(=O)c1ccc(NCC(N)=O)cc1 808507028 ZBRMDJIHHQDYPH-UHFFFAOYSA-N 278.264 -0.101 10 10 CBCE O=C1CN(C(=O)c2cc(O)nc(O)c2)[C@@H]2CC[C@H]2N1 2112063419 WUSVRCKVDRVAKZ-HTQZYQBOSA-N 263.253 -0.404 10 10 CBCE C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1O)c1c(O)cccc1O 2121364266 NKHQOBACINOGMR-RNSXUZJQSA-N 287.337 -0.094 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](CO)C[C@@H]2CO)cc1 2146076169 HVXYCQHNOFJMKF-ZYHUDNBSSA-N 280.324 -0.151 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](CO)C1CC1 2150538468 PNDKCQNMKXTOTC-WDEREUQCSA-N 280.324 -0.145 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166791505 TWLJHFXZTASZGV-XXILOJSOSA-N 274.324 -0.491 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)c1c(O)cccc1O 2177943294 FRMKCYHMSNLRCA-JBTMUMPBSA-N 283.324 -0.149 10 10 CBCE NC(=S)c1c[nH][nH]c1=NC(=O)c1cc(O)c(O)c(O)c1 2188912347 JQNPXBLQDHBQBC-UHFFFAOYSA-N 294.292 -0.165 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(OC)c1 2226810790 VXNWRGXNMMNAKI-GVXVVHGQSA-N 269.297 -0.394 10 10 CBCE CNC[C@H]1C(=O)NCCN1c1ccc2c(c1)OCO2 216975264 BATZZYYAAWIZKY-JTQLQIEISA-N 263.297 -0.061 10 10 CBCE CNS(=O)(=O)CCNCc1ccc(O)cc1O 221001615 ANEXKTABCWQQJQ-UHFFFAOYSA-N 260.315 -0.263 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(CN)c(C)c1 720543461 JQIUCARRSVBUKB-UHFFFAOYSA-N 278.356 -0.248 10 10 CBCE O=C(NCCN1CC[C@H](O)C1)c1cc(O)c(O)c(O)c1 1865876215 XFRWZTDGNFCDPE-VIFPVBQESA-N 282.296 -0.400 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](N)[C@@H]3COC[C@@H]32)cc1 1967372623 XFJNSIQBMGYDRH-AVGNSLFASA-N 261.325 -0.004 10 10 CBCE CN1CCNC[C@@H]1CNC(=O)Cc1ccc(N)cc1 1971620214 BVFCVOJHWMHMIS-CYBMUJFWSA-N 262.357 -0.169 10 10 CBCE O=C1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 2068576725 KHYOYHQURARJAK-ZCFIWIBFSA-N 252.226 -0.578 10 10 CBCE CO[C@H]1CNC[C@H]1Nc1c(N)cccc1C(N)=O 2071715682 DKJOTWHMTDRBOZ-ZJUUUORDSA-N 250.302 -0.234 10 10 CBCE COC1(CO)CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2101066100 AOSMVICUYFLQGQ-LLVKDONJSA-N 264.281 -0.130 10 10 CBCE N[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1CO 2122372858 BADNAYVITPRQHJ-APPZFPTMSA-N 267.285 -0.726 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2160715322 HUGHZEOLYAQBQH-GHSKTYPESA-N 279.292 -0.407 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@@H](O)[C@H](O)C2)cc1 2188671432 DMFLNSZKGGIJJV-CHWSQXEVSA-N 280.324 -0.008 10 10 CBCE Cc1cc(CN)ccc1N1CC[C@@](O)(CO)[C@@H](O)C1 2225729593 PSBSMELOVCCWLF-UONOGXRCSA-N 266.341 -0.252 10 10 CBCE O=S1(=O)CC(O)(CNCc2ccc(F)cc2O)C1 2256071495 KHHMDEFJCWNPOP-UHFFFAOYSA-N 275.301 -0.220 10 10 CBCE O=C(CNC1CC1)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486863 JUSUIDVEIFYSOR-JTQLQIEISA-N 294.307 -0.038 10 10 CBCE COC(=O)CCNC(=O)[C@H](N)c1ccc(O)c(O)c1 83496883 ZEUQOACHJXTCPJ-LLVKDONJSA-N 268.269 -0.223 10 10 CBCE CN1C(=O)C[C@@H](NC(=O)CCOc2ccc(N)cc2)C1=O 88773501 GANBDFFEZAZKER-LLVKDONJSA-N 291.307 -0.089 10 10 CBCE CN(C[C@@H]1CNCCO1)C(=O)c1cc(O)nc(O)c1 125942479 OEQXUZCFDDOODQ-VIFPVBQESA-N 267.285 -0.447 10 10 CBCE C[C@@H]1CN([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC1=O 139679767 UZMZEOFNOSIBIL-KVPKETBZSA-N 269.261 -0.040 10 10 CBCE Nc1ccc(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 214078832 KIJIYQGNVSVRIB-JTQLQIEISA-N 276.296 -0.474 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1 236362218 OYYXFPKPSBVSJY-QWRGUYRKSA-N 272.326 -0.864 10 10 CBCE COC(=O)[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@@H](C)O 707772778 GNLAEQRZHMFPGV-LDWIPMOCSA-N 269.253 -0.250 10 10 CBCE O=C(C[C@H]1CC(=O)NC1=O)NCCc1ccc(O)c(O)c1 1631510442 OTNHYGHSHBZDJJ-VIFPVBQESA-N 292.291 -0.191 10 10 CBCE CCO[C@H]1CNC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049785034 UWGULSYNIJBLKV-GMOBBJLQSA-N 254.330 -0.124 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(C=O)c1 2235986728 NUHQSNHJKYXLSN-CHWSQXEVSA-N 279.292 -0.182 10 10 CBCE Cc1cc([C@H](C)N)ccc1N1CCNC(=O)[C@@H]1C(N)=O 2240745853 WAPXACIHUJDIDJ-CABZTGNLSA-N 276.340 -0.195 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CC(O)(CCO)C3)cc21 2286174360 QMATXBQPOZXNCS-LBPRGKRZSA-N 278.308 -0.370 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC(O)(CCO)C3)ccc21 2286177457 AIEBACYAIZMWKG-LBPRGKRZSA-N 277.324 -0.167 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCN(CCO)CC3)ccc21 36231544 UVAOZJSXJKHKAK-ZDUSSCGKSA-N 276.340 -0.247 10 10 CBCE Nc1ccc(OCC(=O)NCCCS(N)(=O)=O)cc1 45063800 BKSQCNSKLNLZNK-UHFFFAOYSA-N 287.341 -0.558 10 10 CBCE O=C(N[C@@]1(C(=O)O)CCOC1)c1cc(O)nc(O)c1 85852735 GJLIIWXSWWAMMF-NSHDSACASA-N 268.225 -0.534 10 10 CBCE NC(=O)[C@H]1CN(c2ccc(CO)cc2F)C[C@@H]1C(N)=O 693463255 SFAKCRYCBICPKZ-IUCAKERBSA-N 281.287 -0.659 10 10 CBCE CC(=O)C(=O)COC(=O)c1cncc(-n2ccnn2)c1 808548268 DARSXOXWIXBHOA-UHFFFAOYSA-N 274.236 -0.023 10 10 CBCE O=C(CCc1nn[nH]n1)NCc1cc(O)ccc1O 1644753546 CYLXFJHNRBKSNZ-UHFFFAOYSA-N 263.257 -0.140 10 10 CBCE CCS(=O)(=O)C[C@@](C)(NCCCN=[N+]=[N-])C(N)=O 2051022224 KRBVVKGWKXOVDQ-SECBINFHSA-N 277.350 -0.045 10 10 CBCE C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](O)C(=O)O 2056769547 VJZGEXWLMCNHIH-SVGQVSJJSA-N 255.226 -0.338 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccccc2O)[C@H](O)[C@H]1O 2057791110 JPSWLGZFJBLODH-UKJIMTQDSA-N 253.298 -0.416 10 10 CBCE CCn1nnc([C@H](NCCCN=[N+]=[N-])C(N)=O)n1 2077195608 OVYFCAWLEZNSGT-ZCFIWIBFSA-N 253.270 -0.491 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC(OCCO)C3)ccc21 2095969442 FPJLCZYVUXENQI-GFCCVEGCSA-N 263.297 -0.164 10 10 CBCE NC(=O)N1CC(CNCc2ccc(O)c(O)c2O)C1 2124815487 XYLZEXGKNWRUEU-UHFFFAOYSA-N 267.285 -0.097 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@@H](O)[C@@H](CO)C2)ccc1CO 2132058019 LFPGFQSNPREKOM-BXKDBHETSA-N 268.269 -0.124 10 10 CBCE NC(=O)NCCCNC(=O)c1cc(O)c(O)c(O)c1 2132400045 KAMTVMLLMBEPTG-UHFFFAOYSA-N 269.257 -0.408 10 10 CBCE C[C@@H]1COC[C@@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 2168279870 ZPAFPUSWXZPBQB-SVRRBLITSA-N 282.252 -0.193 10 10 CBCE CO[C@@H](CO)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2295306482 WWEHNTFIWIAFTK-ZJUUUORDSA-N 284.312 -0.909 10 10 CBCE Cc1cn(CO[C@H](CO)CN=[N+]=[N-])c(=O)[nH]c1=O 6072011 QHHGZUNIBSYYTP-ZETCQYMHSA-N 255.234 -0.510 10 10 CBCE C[C@H]1SC(=S)N(CCC(=O)NCCO)C1=O 11636049 GBNHYMWUQLQYAU-ZCFIWIBFSA-N 262.356 -0.266 10 10 CBCE CCN1CCC[C@@H]1CNC=C1C(=O)N(C)C(=O)N(C)C1=O 28843117 CRUNXCXFDOYAFI-SNVBAGLBSA-N 294.355 -0.005 10 10 CBCE C[C@H](O)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 40470890 SMRWZPNQQUTLPQ-CPCISQLKSA-N 252.270 -0.239 10 10 CBCE C[C@@H](O)CNC(=O)[C@@H](N)c1cc([N+](=O)[O-])ccc1O 83512712 LPSAJYSWYAKMGG-LDWIPMOCSA-N 269.257 -0.203 10 10 CBCE Nc1ccc(OCC(=O)N2CCC[C@@](O)(CO)C2)cc1 313651606 KNKTXQWVJSVVKX-AWEZNQCLSA-N 280.324 -0.007 10 10 CBCE NCCN(CCN)c1cc2c(cc1N)OCCO2 2071586118 HSHKQPQIHSYBMT-UHFFFAOYSA-N 252.318 -0.236 10 10 CBCE C[S@@](=O)(CC1CNC1)=NC(=O)c1cc(O)nc(O)c1 2109489940 WZGCLKQJXCFSGQ-LJQANCHMSA-N 285.325 -0.050 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O)c1cc(O)nc(O)c1 2166413334 HJMIFTMLQIBIOZ-CSUGOWNVSA-N 280.280 -0.647 10 10 CBCE COc1cc(N2CCN(CC(N)=O)CC2)ccc1CO 2204562535 GIGCQCVTXGCSSI-UHFFFAOYSA-N 279.340 -0.205 10 10 CBCE N=c1nnc(OC[C@]23CCCN[C@H]2CCC3)n[nH]1 2219017038 IOKWUUNIEHRUGX-KWQFWETISA-N 250.306 -0.020 10 10 CBCE C[C@H](CNC(=O)c1cc(O)nc(O)c1)[C@]1(O)CCNC1 2238427617 XQBGFIYUETYMND-OQPBUACISA-N 281.312 -0.417 10 10 CBCE N=c1nnc(OC[C@H]2Cc3ccccc3CN2)n[nH]1 2279033469 ODCKBLSYQRZCTK-SNVBAGLBSA-N 258.285 -0.228 10 10 CBCE NCCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 48596112 ZJEWLGWSNWIHAS-VIFPVBQESA-N 253.302 -0.567 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](O)[C@@H](CO)C1 317498053 SOIPWVGTWGZXHT-JIMOISOXSA-N 277.324 -0.296 10 10 CBCE Nc1nnc(CNC(=O)Cc2ccc(O)c(O)c2)o1 1634744587 SGWPGTISSGHIFW-UHFFFAOYSA-N 264.241 -0.078 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](O)[C@H]2C1 2033976313 CLHPNKKNWJQJPU-CIUDSAMLSA-N 250.254 -0.054 10 10 CBCE Oc1ccc(F)cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046512993 ASHBYYKTSOJDEB-QTKMDUPCSA-N 257.261 -0.524 10 10 CBCE COC[C@@](O)(CO)CNCc1ccc(F)cc1O 2084173048 PVCQFRZCTWZCRA-LBPRGKRZSA-N 259.277 -0.009 10 10 CBCE O=C(NC[C@@H]1C[C@H](O)CCO1)c1cc(O)nc(O)c1 2097945767 MTRSCBLAIUTFSG-BDAKNGLRSA-N 268.269 -0.238 10 10 CBCE C[C@@H](NCC(CO)(CO)CO)c1cc(O)ccc1O 2123207820 BNMZWSYKELLRRL-SECBINFHSA-N 271.313 -0.288 10 10 CBCE CN1CCc2cc([C@H](N)[C@@H](O)c3nnnn3C)ccc21 2196244967 AZJNRADDKSFYII-NWDGAFQWSA-N 274.328 -0.064 10 10 CBCE CS(=O)(=O)NCC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2213585471 OCQOMIHOACYNIB-BQBZGAKWSA-N 261.307 -0.117 10 10 CBCE NCc1cc(F)c(N2CC[C@@](O)(CO)[C@@H](O)C2)c(F)c1 2234104365 GPTNNULYDSYUIP-WCQYABFASA-N 288.294 -0.282 10 10 CBCE CN(C)C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459617 KPDVKWCPWCVHQJ-VIFPVBQESA-N 281.312 -0.828 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCOC[C@@H]1CO 170190567 HIQGMSWWUFVCNR-QMMMGPOBSA-N 269.253 -0.363 10 10 CBCE NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccc(N)cc1 220604719 QBHDAQPEQKJCMC-YPMHNXCESA-N 295.339 -0.805 10 10 CBCE O=C(c1cccc(O)c1O)N1CCNC[C@H](O)C1 310752345 VSAQVHJKEZOCQG-QMMMGPOBSA-N 252.270 -0.496 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@](C)(O)Cn1ccc(C)cc1=O 808545674 JWOVKCVICLBTSR-AWEZNQCLSA-N 295.291 -0.391 10 10 CBCE O=C(NC1CC(CO)(CO)C1)c1cccc(O)c1O 1148220066 NZLZJZRUGQKBRQ-UHFFFAOYSA-N 267.281 -0.039 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1912150263 QXRUBDTVZVWXLV-LURJTMIESA-N 252.234 -0.551 10 10 CBCE O=C(NC[C@H](CO)C(=O)O)c1cccc(O)c1O 2067737386 VHQWLOFLZRQTFE-ZCFIWIBFSA-N 255.226 -0.479 10 10 CBCE CN(Cc1ccccc1O)C[C@]1(O)CNC[C@@H]1O 2072467630 UXALDGWZBQMYHP-QWHCGFSZSA-N 252.314 -0.481 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@H]1N 2090581381 XSSJXHHPXDTPSJ-BDAKNGLRSA-N 267.285 -0.319 10 10 CBCE CN1C[C@H](Cn2ccc3c(c2=O)CNCC3)CC1=O 2094404281 IHMIRHWQDWDOIO-SNVBAGLBSA-N 261.325 -0.028 10 10 CBCE O=C(NC[C@]1(O)CCCNC1)c1cccc(O)c1O 2101322862 WQJBSBYADMLTSG-ZDUSSCGKSA-N 266.297 -0.058 10 10 CBCE COc1ccc(O)c(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1 2108832130 OHXIBHPSHMAUQZ-MGAJPHDKSA-N 269.297 -0.655 10 10 CBCE C[C@@H]1CNC(=O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132413822 QMRCXIGSAHPDFR-ZCFIWIBFSA-N 266.253 -0.236 10 10 CBCE CN([C@@H]1CC(=O)NC1=O)S(=O)(=O)Cc1ccc(N)cc1 2171201201 IVBIQBCZBVSTEM-SNVBAGLBSA-N 297.336 -0.555 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1N 2188912277 JDWPCDNGGNFTGI-KWQFWETISA-N 282.296 -0.008 10 10 CBCE O=C(N[C@H]1CCNC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2188920633 XBDRSONARBUGRC-BDAKNGLRSA-N 282.296 -0.496 10 10 CBCE [N-]=[N+]=NCCNC(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(=O)O 2218735707 QUFBCOQMWQWTNO-WDSKDSINSA-N 276.274 -0.842 10 10 CBCE N[C@H]1CCc2cc(N3CC[C@](O)(CO)[C@@H](O)C3)ccc21 2234097596 VIDJJMXAAAAMPS-KKUMJFAQSA-N 278.352 -0.073 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2273692360 FQUQSHTZCADGKW-DGFQIJBJSA-N 266.341 -0.143 10 10 CBCE CS(=O)(=O)[C@@H]1CC[C@](NCCN=[N+]=[N-])(C(N)=O)C1 2314915462 VZRFDHHBXXSCPP-VXNVDRBHSA-N 275.334 -0.293 10 10 CBCE O=C(O)Cc1nonc1/N=[N+](\[O-])c1nonc1CC(=O)O 36038349 KRVFREAIMKBNLL-ZROIWOOFSA-N 298.171 -0.368 10 10 CBCE CCS(=O)(=O)CCN(CC(N)=O)Cc1ccc(N)cc1 37371489 USQLAADYPSANBB-UHFFFAOYSA-N 299.396 -0.009 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1ccc(C)cc1O 83391592 NPOZJVAGUORGIC-LLVKDONJSA-N 252.270 -0.010 10 10 CBCE CCOc1cccc(CNC(=O)[C@@H](O)CN)c1O 83398261 SFPBORZYCXKLAY-VIFPVBQESA-N 254.286 -0.273 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1S(=O)(=O)Cc1ccc(N)cc1 97290320 YHDVFFAJARFSBQ-MRVPVSSYSA-N 297.336 -0.555 10 10 CBCE COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 234563090 AXXGRLLMDKUTEB-IUCAKERBSA-N 281.264 -0.154 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](CO)[C@@H](CO)C2)cc1 704630488 JQYGMHSYYTWOBP-PHIMTYICSA-N 280.324 -0.293 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@H](N)[C@@H](CO)C2)cc1 1876483403 PGDUTPBRJMXTSR-DGCLKSJQSA-N 263.341 -0.021 10 10 CBCE N[C@H](c1ccccc1O)[C@]1(O)CCS(=O)(=O)C1 1943688542 AAWJHDMVTKPSOP-MNOVXSKESA-N 257.311 -0.058 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC([C@H](F)CO)C1 2048035512 HVERNDXIYSPBHG-MRVPVSSYSA-N 256.233 -0.105 10 10 CBCE Cc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2O)c(O)c1 2084063884 LRIVQGWHQUSVNC-CMPLNLGQSA-N 271.338 -0.052 10 10 CBCE NC(=O)[C@H]1CCN1c1cc2c(cc1F)[C@H](O)C(=O)N2 2089369579 OZLKPQGXQOTRNC-SCZZXKLOSA-N 265.244 -0.125 10 10 CBCE CNC1(C(N)=O)CN(Cc2c(O)cccc2OC)C1 2109484027 AAABJSQRVVZZRZ-UHFFFAOYSA-N 265.313 -0.340 10 10 CBCE CC(C)(N)[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1 2120444110 XOMGWFLFLPFKJN-NSHDSACASA-N 268.313 -0.145 10 10 CBCE COC[C@@H](N)CCNC(=O)c1cc(O)c(O)c(O)c1 2132412339 CHVFVOUBBIJAJP-QMMMGPOBSA-N 270.285 -0.103 10 10 CBCE NCC1(O)CN(c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 2154730213 MOKLJBOAGQBXFK-UHFFFAOYSA-N 281.268 -0.124 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1[C@H]2OCC[C@@H]21 2176420197 ZGNCMNGNKPBHKI-DTVLGXAZSA-N 278.308 -0.129 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@]1(O)CCCNC1 2183279009 MQZCOJAQHRLDFR-CQSZACIVSA-N 280.324 -0.129 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@H](O)CC1 2269157709 JRFWAHBWVRGBBK-DTORHVGOSA-N 268.269 -0.549 10 10 CBCE C[C@H](C(=O)NC(N)=O)N(CC(N)=O)Cc1ccc(N)cc1 35366664 JGIBAJOZSKELFJ-MRVPVSSYSA-N 293.327 -0.861 10 10 CBCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1cn(CCCO)nn1 90639303 JVBARRCUNMDMSI-MRVPVSSYSA-N 268.281 -0.913 10 10 CBCE CN1C(=O)C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1633979147 UKIUMVBMDDMNJP-MRVPVSSYSA-N 278.264 -0.486 10 10 CBCE O=C(N[C@H](CO)CCCO)c1cc(O)nc(O)c1 2029928138 PPLRRFVIXUNYDO-QMMMGPOBSA-N 256.258 -0.644 10 10 CBCE COC(=O)Cc1cc(O)n2ncc(C(=O)OC)c2n1 2080933235 FPYSECKCDGADMY-UHFFFAOYSA-N 265.225 -0.063 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc2[C@H]1O 2105109586 AOLONYVYWJHUSM-KBVBSXBZSA-N 264.281 -0.396 10 10 CBCE O=[N+]([O-])c1cc(N2CC(CO)(CO)C2)ccc1CO 2132058323 OWEGJCMMPXNLPY-UHFFFAOYSA-N 268.269 -0.122 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)c1cc(O)c(O)c(O)c1 2132349917 IMASTSMVGWYKNT-RNJXMRFFSA-N 269.253 -0.583 10 10 CBCE C[C@@]1(CNC(=O)c2cc(O)nc(O)c2)CCNC1=O 2136073215 NLSZXEWWCZIRST-LBPRGKRZSA-N 265.269 -0.251 10 10 CBCE C[C@]1(CO)CNCCN1C(=O)Cc1ccc(O)c(O)c1 2144030224 MJPGYJQGWFHJCC-CQSZACIVSA-N 280.324 -0.177 10 10 CBCE Nc1ccc(OCC(=O)NCCN2CCNC2=O)cc1 2146759909 RSEFRYFKLWSCIL-UHFFFAOYSA-N 278.312 -0.211 10 10 CBCE C[C@@H](O)CN1CCN(C(=O)c2cc(O)nc(O)c2)CC1 2170221769 TXYJGAMMJGRSTM-SECBINFHSA-N 281.312 -0.369 10 10 CBCE CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2181217523 XTIKWNBTIYFOAC-AAEUAGOBSA-N 281.308 -0.017 10 10 CBCE O=C(N=c1cc(C(=O)O)[nH][nH]1)c1cc(O)c(O)c(O)c1 2188867643 DSUAFNUTLPRAFE-UHFFFAOYSA-N 279.208 -0.101 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2201032926 JZSIILVGGXPDIW-HZSPNIEDSA-N 284.331 -0.162 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(C)c1 2219581102 WBZBEZAABTWGMS-FRRDWIJNSA-N 253.298 -0.094 10 10 CBCE N[C@H]1CCc2cc(N3CC[C@@](O)(CO)[C@H](O)C3)ccc21 2234097599 VIDJJMXAAAAMPS-RRFJBIMHSA-N 278.352 -0.073 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@]1(O)CCNC1 2238455528 YRLGURTXFBGYEO-AWEZNQCLSA-N 280.324 -0.129 10 10 CBCE C[C@@H](c1ccccc1O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)O 2332874538 ZUIWACDMDQOKPA-FPQWWODTSA-N 267.281 -0.056 10 10 CBCE O=C1Nc2cc(N3CC([C@@H](O)CO)C3)ccc2[C@@H]1O 2336878166 YUMHBTCSHMESQD-RYUDHWBXSA-N 264.281 -0.539 10 10 CBCE NC(=O)[C@H]1C[C@H](O)CN1C(=O)COc1ccc(N)cc1 103475799 GJASVFGDRISFJE-GXSJLCMTSA-N 279.296 -0.905 10 10 CBCE CN1CC(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 379477960 HSIBQIGYXBDXFQ-NSHDSACASA-N 279.340 -0.355 10 10 CBCE O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(O)c(O)c1 706743616 LGERCFXDBDZCIU-LDYMZIIASA-N 253.254 -0.023 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)Nn1ccc(O)nc1=O 1168869645 STUJIIUNLGHEMV-UHFFFAOYSA-N 277.236 -0.327 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2COC[C@@H]2CO)cc1 2029844310 MBZJLBORBCDXMJ-CMPLNLGQSA-N 250.298 -0.065 10 10 CBCE COC(=O)[C@H](N)CNCCc1ccc(O)c(O)c1 2031079559 ROWMSPXPTPPWTJ-SECBINFHSA-N 254.286 -0.270 10 10 CBCE O=C(N[C@H]1[C@@H]2C[C@@H]1CN2)c1cc(O)c(O)c(O)c1 2068617071 GHRAUPATLFKNTK-MATHAZKKSA-N 250.254 -0.107 10 10 CBCE CN(Cc1ccccc1O)C[C@]1(O)CNC[C@H]1O 2072467628 UXALDGWZBQMYHP-CHWSQXEVSA-N 252.314 -0.481 10 10 CBCE NC(=O)[C@H]1CNCCN1Cc1ccc(F)cc1O 2084077971 AXAQQLKNAPOVIU-SNVBAGLBSA-N 253.277 -0.210 10 10 CBCE CN1CCO[C@H](Cn2ccc3c(c2=O)CNCC3)C1 2094408235 ZCIJJOAEWJFKBG-LBPRGKRZSA-N 263.341 -0.175 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCNC(=O)C(F)(F)C1 2146739362 NBQWSYCQXBOTMS-UHFFFAOYSA-N 287.222 -0.300 10 10 CBCE C[C@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(F)c1 2184137126 BBKGRCWKDHZARU-CPCISQLKSA-N 280.303 -0.365 10 10 CBCE C[C@@]1(CO)CNCCN1C(=O)c1cc(O)c(O)c(O)c1 2188914471 AQROEAOGVKKZSF-ZDUSSCGKSA-N 282.296 -0.400 10 10 CBCE CC[C@H](C)N1C(=O)C(=CNCCCO)C(=O)NC1=S 2296145083 QEKGMOOZSMUQBX-QMMMGPOBSA-N 285.369 -0.116 10 10 CBCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(N)=O 35792050 ZWBYJEYFUVBCMB-SSDOTTSWSA-N 257.315 -0.438 10 10 CBCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(N)=O 70490628 ZLWVEBRWMGNWKU-MRVPVSSYSA-N 287.341 -0.559 10 10 CBCE N[C@H](c1nnc([C@@H](O)CO)o1)c1ccc(O)cc1O 83494120 VQZXEBYEWYOCJB-IUCAKERBSA-N 267.241 -0.445 10 10 CBCE Oc1cc2c(cc1CN[C@@H]1COC[C@@H]1O)OCO2 323276087 KFXQNIXUIRBVHC-SCZZXKLOSA-N 253.254 -0.030 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)C(CO)CO 381320111 FVVDUPJGUIMHIC-UHFFFAOYSA-N 254.286 -0.541 10 10 CBCE CNS(=O)(=O)CCNC(=O)c1cc(O)c(O)c(O)c1 1148589910 QHZSMHDIVMYEBZ-UHFFFAOYSA-N 290.297 -0.918 10 10 CBCE O=C(CC[C@H]1NC(=O)NC1=O)NCc1ccc(O)c(O)c1 1631434487 UABWTXUDEUGVCV-MRVPVSSYSA-N 293.279 -0.298 10 10 CBCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1nnc(N)n1 1632680995 KQLUIAJDWFPXKI-SSDOTTSWSA-N 292.299 -0.586 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNC[C@H]2O)cc1 1876539667 HMZFHBQQRXHGQY-NWDGAFQWSA-N 285.369 -0.589 10 10 CBCE Nc1ccc(OCC(=O)N2CC(S(N)(=O)=O)C2)cc1 1914976530 TXPZTSDZUKSFAP-UHFFFAOYSA-N 285.325 -0.853 10 10 CBCE NS(=O)(=O)NCCNCc1cc(F)ccc1O 1995941952 JLNFONVYWZBJEH-UHFFFAOYSA-N 263.294 -0.586 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1Cl 2127702780 VBTXSGYBOJOQBE-JTQLQIEISA-N 282.731 -0.411 10 10 CBCE N[C@H]1C[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2157501590 DXZUNYPBXXBGIP-VGMNWLOBSA-N 280.280 -0.443 10 10 CBCE O[C@@H]1C[C@H](NCc2ccc3c(c2)CCCO3)[C@@H](O)[C@@H]1O 2165122400 MHYDCDZSXJOTTF-CTHBEMJXSA-N 279.336 -0.044 10 10 CBCE COc1ccc([C@H](C)N[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c(O)c1 2165122678 NAPFMYVZDGQECQ-LTWGMKCWSA-N 283.324 -0.094 10 10 CBCE O=C1N[C@H]2CN(Cc3cccc(F)c3O)C[C@@H]2NC1=O 2166790063 BPEFQMVABPTCGL-UWVGGRQHSA-N 279.271 -0.670 10 10 CBCE O=C(O)CN1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 2188873869 AWCFSLYDDQUCFA-UHFFFAOYSA-N 282.252 -0.698 10 10 CBCE O=C(N[C@@H]1COC2(CCC2)[C@H]1O)c1cc(O)nc(O)c1 2206471579 OEPNIRCKPXYJKM-KCJUWKMLSA-N 280.280 -0.095 10 10 CBCE N[C@@H]1C[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CO[C@@H]1C2 2312794749 OWODXJXWHMBFRC-TXJJIOBDSA-N 252.314 -0.242 10 10 CBCE CN(Cc1ccccc1O)C(=O)C(N)(CO)CO 2320909457 AWAKNLSQPHSLLP-UHFFFAOYSA-N 254.286 -0.967 10 10 CBCE CSc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1CN 2353852058 QTLUNGSRYDTYPN-GMXVVIOVSA-N 284.381 -0.230 10 10 CBCE N[C@@H](c1nnc(C[C@@H](O)C(=O)O)o1)c1ccccc1O 83588122 KQIOPDNTOAXREX-PSASIEDQSA-N 279.252 -0.189 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1[C@@H](C)C(=O)Nc1ccc(N)cc1 97290191 WXOJNKSSSPGANR-IUCAKERBSA-N 290.323 -0.057 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1(C(=O)O)CC1 203660709 OHOJKKAUWSMDFA-QMMMGPOBSA-N 280.280 -0.299 10 10 CBCE CCNS(=O)(=O)CCNC(=O)c1ccc(O)c(O)c1 227028191 MHIMUCFPSKUFJB-UHFFFAOYSA-N 288.325 -0.233 10 10 CBCE NCCCOCCNC(=O)c1cc(O)nc(O)c1 698124284 CLTXUANTINTHLT-UHFFFAOYSA-N 255.274 -0.412 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc(O)c(O)c1 1329175888 GOSQSZPNCRLEGD-WMSLEYKJSA-N 292.291 -0.442 10 10 CBCE NC(=O)C[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1642972760 FKMQCUJHEWLNDB-JTQLQIEISA-N 294.307 -0.257 10 10 CBCE C[C@](NCCN=[N+]=[N-])(C(N)=O)[C@H]1CCS(=O)(=O)C1 1912181895 ULJWRSVSNORKQE-IONNQARKSA-N 275.334 -0.435 10 10 CBCE CO[C@@H]1CNCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 1912190167 ZWXYQUWCUUQVKZ-PSASIEDQSA-N 256.310 -0.491 10 10 CBCE COC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(N)cc1 2159003362 SGXQSRUQIFMESU-JTQLQIEISA-N 280.280 -0.056 10 10 CBCE C[C@]1(CN)COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188913024 OINBAVCTEVMUJY-ZDUSSCGKSA-N 282.296 -0.007 10 10 CBCE NC(=O)[C@H]1C[C@@H](N)CN(C(=O)Nc2ccc(N)cc2)C1 2191534483 AXCWQTJSKAQHNM-WCBMZHEXSA-N 277.328 -0.065 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@](N)(C(=O)O)C2)cc1 2191729127 AXKMWNFAOZVKEY-CYBMUJFWSA-N 279.296 -0.338 10 10 CBCE COc1cc(N2CC3(C2)OC[C@@H](O)[C@H]3O)ccc1CO 2204536457 NFFLBGAHONPKSB-DGCLKSJQSA-N 281.308 -0.502 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)C[C@H]2CO)cc1 698139130 OEQNHKSXAKFNND-QWRGUYRKSA-N 266.297 -0.398 10 10 CBCE N=C(NO)[C@@H]1COCCN1C(=O)c1cccc(O)c1O 700162285 ZEGLYNQADVAWCT-QMMMGPOBSA-N 281.268 -0.105 10 10 CBCE NC(=O)N[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 700632564 BNLNYXQMLJGDQG-ZETCQYMHSA-N 265.269 -0.019 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1nn[nH]n1 709919731 XIJQWYOVLZOVLF-LURJTMIESA-N 264.245 -0.881 10 10 CBCE O=C(NCc1nc[nH]n1)c1cc(O)c(O)c(O)c1 1148590220 ZQEOKHMNYZSGBU-UHFFFAOYSA-N 250.214 -0.149 10 10 CBCE O=C(C[C@@H]1CC(=O)NC1=O)NCc1ccc(O)cc1O 1638351667 AWNNICUXSZHGKI-MRVPVSSYSA-N 278.264 -0.233 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2CO[C@H]3CNC[C@H]23)cc1 1876489488 RCXOMHISQFEQJX-UPJWGTAASA-N 261.325 -0.086 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046512812 ZCECBNMAGSESME-GWNIPJSYSA-N 253.298 -0.355 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c1 2121476164 TZGPLBPTHAJDAS-HBJVGIJOSA-N 267.325 -0.107 10 10 CBCE O=C1Nc2cc(N3C[C@H](CO)C[C@@H]3CO)ccc2[C@H]1O 2146080009 KPQYSEXBZOFYDM-ZDSQKVDBSA-N 278.308 -0.148 10 10 CBCE NC(=O)[C@@H]1CNCCN1C(=O)CCc1ccc(N)cc1 2191719199 FNEXGUHHHDCZDM-LBPRGKRZSA-N 276.340 -0.513 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CCO3)C[C@H](O)[C@H]1O 2273675396 VQUDNMMGEAOGLO-JKOKRWQUSA-N 265.309 -0.228 10 10 CBCE NC(=O)CN1C(=O)COc2ccc(N3CCNCC3)cc21 31947226 PZJWQCYHJFTTOD-UHFFFAOYSA-N 290.323 -0.693 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](C(=O)O)C1CC1 54523935 IIBBGTGZJUBNMQ-CABZTGNLSA-N 294.307 -0.053 10 10 CBCE O=C1CC[C@@H](NCc2ccc(O)c(O)c2)C(=O)N1 89753104 FZBFISVMUUVYDE-MRVPVSSYSA-N 250.254 -0.007 10 10 CBCE CN1NC(=O)[C@H](CC(=O)Nc2nccs2)C1=O 169996228 FQRSQLFZNBUACD-YFKPBYRVSA-N 254.271 -0.409 10 10 CBCE COc1ccc(CNC(CO)(CO)CO)cc1C 234865500 OHVCLFATVWMKAE-UHFFFAOYSA-N 255.314 -0.191 10 10 CBCE NC(=O)C1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 381917400 GHOUTMCOLVOESJ-UHFFFAOYSA-N 299.352 -0.606 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 693454605 OCDDSBCBAOJXRJ-MIMYLULJSA-N 277.324 -0.028 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC(C(N)=O)C3)ccc21 723167918 ZEQXNTVVOFYKMV-NSHDSACASA-N 260.297 -0.179 10 10 CBCE CCN(CC(N)=O)c1ccc2c(c1)N(C)C(=O)[C@H]2N 723179528 SBFQDASBBLVQST-LBPRGKRZSA-N 262.313 -0.026 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCC(CO)(CO)C1 1647810304 ZSFMZWWLIZXBIW-UHFFFAOYSA-N 281.308 -0.156 10 10 CBCE C[C@@H](Oc1ccc(N)cc1)C(=O)NCC(=O)NCC(=O)O 1860082639 QCDZPWFODCVTDG-MRVPVSSYSA-N 295.295 -0.647 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCNC[C@@H]1CO 1876461083 JRZDKJRUFNYDKH-KCJUWKMLSA-N 264.329 -0.250 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC(CO)(CO)C2)cc1 1914991904 UTUNDHODAXFHRL-GFCCVEGCSA-N 282.340 -0.705 10 10 CBCE COC(=O)[C@H](N)[C@@H](OC)c1ccc(O)c(O)c1O 1952364061 AVVJVBHMZLOWOX-XCBNKYQSSA-N 257.242 -0.009 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)cc1O 2046513962 JZEMBHOJAVAYAS-UYZPKGHCSA-N 255.270 -0.958 10 10 CBCE C[C@H](NS(=O)(=O)N1CC(O)C1)c1ccccc1O 2072485792 IRJSNCVSTCWGEY-QMMMGPOBSA-N 272.326 -0.036 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@]2(CO)C[C@@]2(CO)C1 2146314143 PQZIADGQRPSMKP-STQMWFEESA-N 280.280 -0.690 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NCc1cc2c(cc1O)OCO2 2174104609 VDXZVQWDABXRKO-UFBFGSQYSA-N 280.280 -0.147 10 10 CBCE CN[C@@H]1COCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188917658 YORIWJJEOPSPOF-VIFPVBQESA-N 282.296 -0.136 10 10 CBCE NCc1cn(CCNC(=O)c2ccc(O)c(O)c2)nn1 2287067226 BRJMOJQGIXKBQJ-UHFFFAOYSA-N 277.284 -0.422 10 10 CBCE CN1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1=O 230205117 OXIZZRUPSMIGKU-LLVKDONJSA-N 283.353 -0.081 10 10 CBCE CN1C(=O)C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1=O 234312236 RDGVJGKXBLWRKY-SSDOTTSWSA-N 264.237 -0.415 10 10 CBCE CN1CCN(c2ccc(CNC(=O)CC(N)=O)cc2)CC1 881850674 BMLSGLJXAWVKGY-UHFFFAOYSA-N 290.367 -0.070 10 10 CBCE COc1ccc(CNC(=O)C2(O)COC2)c(O)c1 1639458644 AWEJJIQJCPVJMD-UHFFFAOYSA-N 253.254 -0.222 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](N)C[C@H](O)C2)cc1 1876437444 IFJFUJKRFKPGAU-QWRGUYRKSA-N 265.313 -0.432 10 10 CBCE CC(=O)C(=O)[C@H](O)c1nc(Br)nn1C 1893836679 MNYRBXOQTYNBQO-YFKPBYRVSA-N 262.063 -0.231 10 10 CBCE Cn1nncc1S(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912196897 NHKQFKAEZQXIOK-LURJTMIESA-N 257.279 -0.112 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC(=O)NC2=O)cc1 2096082684 SVRYUSRZWABYQL-SECBINFHSA-N 283.309 -0.897 10 10 CBCE O=C(O)CC[C@H](O)CNC(=O)c1cc(O)nc(O)c1 2110234871 RIQBSQAYCVOQAN-ZETCQYMHSA-N 270.241 -0.552 10 10 CBCE NC(=O)[C@H]1CNC[C@H](NC(=O)c2cccc(O)c2O)C1 2151065220 UPTWTQUQAMXOKA-HTQZYQBOSA-N 279.296 -0.709 10 10 CBCE COC(=O)C1(N)CC(NC(=O)c2cccc(O)c2O)C1 2151219251 FPRVGMWBQMDRQH-UHFFFAOYSA-N 280.280 -0.140 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@H](O)C2)cc1 2161397290 QUBXOWSCABVZME-RWMBFGLXSA-N 282.340 -0.564 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CCCO2 2226669476 UEIZXGXRJAIVSL-DYEKYZERSA-N 265.309 -0.086 10 10 CBCE CO[C@@H]1[C@H](N)C[C@H]1NC(=O)c1ccc(O)c(O)c1 2258687643 QDHVODHZQUNGLA-SOCHQFKDSA-N 252.270 -0.058 10 10 CBCE Oc1cccc2c1[C@@H](N[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O)CC2 2329650707 KUNWZWAMTFUIEK-QPIGJCOSSA-N 265.309 -0.176 10 10 CBCE [N-]=[N+]=NCCN[C@H](C(=O)O)c1cn(CCO)nn1 90637906 SEPUYVKUVUPZGL-ZETCQYMHSA-N 255.238 -0.704 10 10 CBCE N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)c1cc(O)nc(O)c1 250753026 DTSHGCQZFATRFA-FPQWWODTSA-N 279.296 -0.273 10 10 CBCE Nc1ccc(NC(=O)CCN2C[C@@H](O)[C@@H](CO)C2)cc1 316334841 DAIUVFYSRHECKJ-ZWNOBZJWSA-N 279.340 -0.118 10 10 CBCE C[C@H](O)[C@@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 717329600 KJIHOMQOOFPJNM-KWQFWETISA-N 274.342 -0.570 10 10 CBCE CC(=O)C(=O)COC(=O)CN1CCCCS1(=O)=O 884687542 ZTPUTTOGPGTAIO-UHFFFAOYSA-N 277.298 -0.887 10 10 CBCE C[C@H]1C(=O)N(NC(=O)Cc2ccc(O)c(O)c2)C(=O)N1C 1641850049 YIAJUCXUVDWHIT-ZETCQYMHSA-N 293.279 -0.046 10 10 CBCE COc1ccc(N2CC(O)(C(N)=O)C2)c([N+](=O)[O-])c1 1915224973 UEEVEAVBSLFYSU-UHFFFAOYSA-N 267.241 -0.360 10 10 CBCE CN1C[C@H](O)[C@@H](NC(=O)c2cccc(O)c2O)C1 2029861458 BNMHWSZQQARONI-WPRPVWTQSA-N 252.270 -0.498 10 10 CBCE Nc1ccc(OCC(=O)NCCC(CO)CO)cc1 2127924723 QCXGMUURZBSFLA-UHFFFAOYSA-N 268.313 -0.245 10 10 CBCE C[C@@H](CS(N)(=O)=O)NC(=O)c1cc(O)c(O)c(O)c1 2132405885 CKSGIOAGSXEDPB-YFKPBYRVSA-N 290.297 -0.790 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN[C@H]2COC[C@@H]21 2132579024 JJTBUZPFHKCWLA-IUCAKERBSA-N 265.269 -0.694 10 10 CBCE NC(=O)[C@H]1CNC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2151063257 HMJHDDKYXYVDEW-BDAKNGLRSA-N 279.296 -0.709 10 10 CBCE N[C@H]1CC(C(=O)NCCc2ccc(O)c(O)c2)=C[C@H]1O 2188028147 XJVJFQTULVGWLH-CMPLNLGQSA-N 278.308 -0.225 10 10 CBCE NC(=O)[C@H]1C[C@@H](N)CN(C(=O)Cc2ccc(N)cc2)C1 2191721641 XRRGQZPUEUIBTB-CMPLNLGQSA-N 276.340 -0.528 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNC[C@@H]2CO)cc1 2191785279 YFZRDWXNWJPJAQ-YPMHNXCESA-N 299.396 -0.341 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@]1(O)CCNC[C@@H]1O 2197490821 SEJLBTQZDLHRRQ-JSGCOSHPSA-N 280.324 -0.564 10 10 CBCE CN1CCNC[C@@H]1CNC(=O)c1cccc(O)c1O 394102973 MPSPHVSJGIKXKE-SECBINFHSA-N 265.313 -0.269 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC2(COC2)C1 697148227 VAXJWRXBNLTGRD-JTQLQIEISA-N 278.308 -0.174 10 10 CBCE CN(C)C[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 717355350 IJTPLEUCQMOOOR-GFCCVEGCSA-N 287.385 -0.389 10 10 CBCE Cn1c(O)ncc(C(=O)NCc2ccc(O)c(O)c2)c1=O 778924445 VJNYZRUVGNMKTC-UHFFFAOYSA-N 291.263 -0.173 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C\c1ccc(O)c(O)c1 1329175887 GOSQSZPNCRLEGD-IMDSDMBUSA-N 292.291 -0.442 10 10 CBCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C2CS(=O)(=O)C2)C1 1912190896 KWOHXIWZCHXMCA-SSDOTTSWSA-N 294.358 -0.112 10 10 CBCE CN1CCNC[C@H]1CNC(=O)Cc1ccc(N)cc1 1971620217 BVFCVOJHWMHMIS-ZDUSSCGKSA-N 262.357 -0.169 10 10 CBCE NC[C@H]1C[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 2067382316 CGWNKYRMJSAJOH-BDAKNGLRSA-N 252.270 -0.368 10 10 CBCE C[C@@]1(O)CON(C(=O)c2cc(O)c(O)c(O)c2)C1 2068567798 SVPXJLGGLKLJKA-NSHDSACASA-N 255.226 -0.058 10 10 CBCE N[C@H]1CC(C(=O)N2CCOc3ncccc32)=C[C@@H]1O 2131477556 VZPAIFUMMLXDAJ-ONGXEEELSA-N 261.281 -0.175 10 10 CBCE O=C(NC[C@@H]1C[C@H]2OCC[C@@H]2N1)c1cc(O)nc(O)c1 2146638454 MELSBQCZUPPDBA-LPEHRKFASA-N 279.296 -0.258 10 10 CBCE Nc1ccc(CC(=O)N2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2183645810 ZVPZGUZWXCDYAV-WCQYABFASA-N 278.308 -0.856 10 10 CBCE Cc1cn(CC(=O)NCCN=[N+]=[N-])c(=O)nc1O 2256992378 VYLHQNBZXYZXQB-UHFFFAOYSA-N 252.234 -0.316 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332916813 UXYGLOCUHWZVEZ-VGYUKGMSSA-N 271.288 -0.218 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1[C@@H](C)O 2334469003 VWXBXZGEZXECBI-PCDDKUFXSA-N 267.325 -0.049 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H](CO)C1 168348260 KZVQTWKLLWBUAX-MRVPVSSYSA-N 254.242 -0.674 10 10 CBCE Cc1cc(/C=C\C(=O)O)ccc1N(CC(N)=O)CC(N)=O 213067164 SQBFQLNDPBTTLH-HYXAFXHYSA-N 291.307 -0.130 10 10 CBCE CN1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C(=O)N1 393934948 PWGOKXNAFNDHCQ-SSDOTTSWSA-N 251.242 -0.827 10 10 CBCE C[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CC(=O)N1 395741412 YEUNNIWIPZHLPG-OQPBUACISA-N 274.324 -0.013 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](CO)[C@@H](CO)C1 705330054 MRBGQABOELCCMR-RKDXNWHRSA-N 268.269 -0.834 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@H]1COC[C@H]1O 708736569 QVMWYZPGFBRNBA-WCBMZHEXSA-N 253.254 -0.071 10 10 CBCE CCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)nn1 899335468 DHRJNDVGRDWZJG-UHFFFAOYSA-N 263.257 -0.268 10 10 CBCE COc1cc(N2CC(O)(C(N)=O)C2)c([N+](=O)[O-])cc1OC 1458538935 JIHLWKDSHVJAOU-UHFFFAOYSA-N 297.267 -0.352 10 10 CBCE CN1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CC1=O 1628408932 DENWZRCTLMVAPN-VIFPVBQESA-N 264.281 -0.013 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2081009126 LQZPPWKAFFHXFR-RWMBFGLXSA-N 252.314 -0.691 10 10 CBCE COc1ccc([C@H](C)NCCNS(N)(=O)=O)c(O)c1 2101342606 NFDCOJGISRPGPP-QMMMGPOBSA-N 289.357 -0.156 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 2121365624 WMOUCBLUNJLZHV-NXEZZACHSA-N 285.325 -0.452 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2NC[C@@H](O)[C@@H]2O)c1O 2139759743 ZFMXPKHPIVNDKN-FOGDFJRCSA-N 266.297 -0.990 10 10 CBCE O=C(NC[C@@H]1C[C@H]2OCC[C@H]2N1)c1cc(O)nc(O)c1 2146638453 MELSBQCZUPPDBA-IVZWLZJFSA-N 279.296 -0.258 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@@H]3COC[C@H]32)cc1 2158396970 HPGSKFWRFYADMB-UPJWGTAASA-N 278.308 -0.134 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H](O)[C@H](O)[C@H]1C2 2173342546 CLMQLGHZQSYKNT-QRKAXHLRSA-N 280.280 -0.551 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCC3(CO)CO)cc21 2194353091 NGWPNAWWPYIHIY-GFCCVEGCSA-N 277.324 -0.404 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@](O)(CO)[C@@H](O)C1 2234104401 GTEGVNXHIYGFNX-WCQYABFASA-N 283.280 -0.972 10 10 CBCE CNC(=O)CN(C)CC(=O)N(C)c1ccc(N)cc1 37273646 GDGZQIRNKUDRAB-UHFFFAOYSA-N 264.329 -0.091 10 10 CBCE NC(=O)CCNS(=O)(=O)CCOc1ccc(N)cc1 70490633 KEJQZRBOKPKSFW-UHFFFAOYSA-N 287.341 -0.558 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NN1CCOCC1 147630874 ZCJMARFYMRSFKG-JTQLQIEISA-N 281.312 -0.669 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)c1nc[nH]c(=O)c1N 164549940 PICKDROECFHJIX-UHFFFAOYSA-N 288.311 -0.574 10 10 CBCE COc1cc(Cl)cc(CNC[C@@H](O)C(N)=O)c1O 228611580 LBJFZLPCWHMRCD-MRVPVSSYSA-N 274.704 -0.010 10 10 CBCE C[C@](O)(CNC(=O)c1ccc(O)c(O)c1)C(=O)O 235698684 APSUNSNMVRYIKT-NSHDSACASA-N 255.226 -0.337 10 10 CBCE C[C@H](NC(C(N)=O)C(N)=O)c1ccc(O)cc1O 695341341 PROQFAPCTOAGLI-YFKPBYRVSA-N 253.258 -0.912 10 10 CBCE Nc1ccc(CNC(=O)Cn2ccc(O)nc2=O)cc1 700918867 VKTJADNFBPAZSY-UHFFFAOYSA-N 274.280 -0.153 10 10 CBCE CC1(CNC(=O)c2cc(O)nc(O)c2)OCCO1 717308579 QVBDQDZWRAZJQP-UHFFFAOYSA-N 254.242 -0.014 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(C(=O)Cn2ccc(O)nc2=O)C1 1912206741 LABXSRKLQJGDLF-SSDOTTSWSA-N 264.245 -0.140 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)C[C@@H](O)C1 2043179426 NBWHTHITPWQXQP-DTORHVGOSA-N 253.254 -0.335 10 10 CBCE CN(Cc1ccccc1O)[C@H]1CS(=O)(=O)C[C@H]1O 2072451284 VHIKCKYLHJLPAN-CMPLNLGQSA-N 271.338 -0.018 10 10 CBCE CN(Cc1ccccc1O)C(=O)C(=O)NCCN 2072466815 JVZFDABOJUUJJN-UHFFFAOYSA-N 251.286 -0.575 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](CO)C[C@H]1CO 2089901567 MVNGLYNECKBTFU-APPZFPTMSA-N 268.269 -0.692 10 10 CBCE O=c1c2c(ccn1C[C@@H]1CCS(=O)(=O)N1)CCNC2 2094407445 QBLMEGDYPQWEGA-JTQLQIEISA-N 283.353 -0.814 10 10 CBCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)S(N)(=O)=O 2132351180 VADRJUOVXBNBBF-RXMQYKEDSA-N 290.297 -0.790 10 10 CBCE Cc1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@H]2C(=O)O)c1 2136097626 XUPBCTLPPUHKRB-SRVKXCTJSA-N 267.281 -0.309 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2COC[C@@H](C1)C2O 2167778816 RRMCWYLDTMYSLE-USUYBEQLSA-N 280.280 -0.428 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(F)c1 2184136755 OOSJCUHOCKTXHD-LLVKDONJSA-N 280.303 -0.665 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1O 2188908557 DDKHTJKFDKMIPH-VDAHYXPESA-N 282.296 -0.369 10 10 CBCE Nc1ccc(OCC(=O)NC2CC(O)(CO)C2)cc1 2269155596 HGYCLKOOZLRSCA-UHFFFAOYSA-N 266.297 -0.350 10 10 CBCE NC1C[C@H]2COC[C@@H](C1)N2C(=O)c1cc(O)nc(O)c1 2285860622 ORQUYCAPIDEPKT-PBINXNQUSA-N 279.296 -0.177 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332916811 UXYGLOCUHWZVEZ-KQXJFYCDSA-N 271.288 -0.218 10 10 CBCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332920035 LQGXDMUJSIPDGU-MJBXVCDLSA-N 266.341 -0.301 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2332923681 WWJRKRQZXZFUBZ-XQQFMLRXSA-N 286.759 -0.038 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2354482612 LFTFKCFBIAYEER-DVXMNORISA-N 278.308 -0.400 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)[C@@H](CO)C1)CCC(=O)N2 316125020 LWLQFIYKEOEPHB-NOZJJQNGSA-N 277.324 -0.057 10 10 CBCE CNC(=O)NCCNC(=O)c1ccc(O)c(O)c1 397473076 KJDCEBCGGVUSRY-UHFFFAOYSA-N 253.258 -0.243 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@H]2CNC[C@H]21 686546751 WMAOCYJBFDKEMX-BDAKNGLRSA-N 265.269 -0.694 10 10 CBCE C[C@@H](NS(=O)(=O)C[C@H](N)C(=O)O)c1ccccc1O 1877573469 LBWGDMUAXBHMOV-APPZFPTMSA-N 288.325 -0.216 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1[C@@H]1CS(=O)(=O)C[C@@H]1O 2009446054 TVCFFOGZKQBGBL-YIZRAAEISA-N 260.319 -0.081 10 10 CBCE COC[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CNCCO1 2112570828 GFFPNNZSXHUXEL-GIPNMCIBSA-N 270.329 -0.743 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2160715351 HUGHZEOLYAQBQH-VQSQSKOLSA-N 279.292 -0.407 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC(NC(N)=O)C3)ccc21 2163216276 LEZYWEPEJPMITM-NSHDSACASA-N 275.312 -0.244 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)[C@H]2COC[C@@H]12 2188919926 QRUHFQRUWOHUNL-YIZRAAEISA-N 280.280 -0.399 10 10 CBCE NCC1(O)CCN(C(=O)COc2ccc(N)cc2)CC1 2191714819 RYCSETUAWLSGQI-UHFFFAOYSA-N 279.340 -0.040 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2273692364 FQUQSHTZCADGKW-PCGAWMICSA-N 266.341 -0.143 10 10 CBCE CC[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332920087 MJSNEZJRAXDPSY-DGAVXFQQSA-N 266.341 -0.001 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1F 2332920404 RQBSXUFDILGYOO-SBMIAAHKSA-N 274.267 -0.674 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@@H]4COC[C@@H]43)ccc21 2354369382 ONPWKJKXOGRBAE-GWNIPJSYSA-N 275.308 -0.166 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2354482063 FYEJNLNZKAFQLV-YBJAMMKNSA-N 275.308 -0.431 10 10 CBCE CNC(=O)[C@H]1COCCN1C(=O)c1cccc(O)c1O 126519427 YTPVNEJCTBVEPG-SECBINFHSA-N 280.280 -0.315 10 10 CBCE Cn1nnc(C(=O)NCCOc2ccc(N)cc2)n1 697225477 VICORZLZUGNMBX-UHFFFAOYSA-N 262.273 -0.399 10 10 CBCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC(O)(CO)C1 854673692 KTEOFQUNHVWHBR-RQOWECAXSA-N 265.265 -0.323 10 10 CBCE NC(=O)C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1 863943314 XCRYMRUKXGUPDA-SSDOTTSWSA-N 298.270 -0.047 10 10 CBCE CS(=O)(=O)NCCC(=O)NCc1ccc(O)cc1O 1638348157 UGWINKVRKSEQAD-UHFFFAOYSA-N 288.325 -0.347 10 10 CBCE CN(C)C[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 1865875999 LSPVYMMOOGSOOY-QMMMGPOBSA-N 270.285 -0.544 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](N)C[C@H](O)C2)cc1 1876529260 MEFDDMOXEQVLIU-RYUDHWBXSA-N 285.369 -0.508 10 10 CBCE [N-]=[N+]=NC1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 1912209045 YJSHKOPURPFMSV-MRVPVSSYSA-N 266.305 -0.295 10 10 CBCE Nc1cc2c(cc1N1CC(S(N)(=O)=O)C1)OCCO2 1914969275 BUOYMQWHQHVWFN-UHFFFAOYSA-N 285.325 -0.483 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)C1CS(=O)(=O)C1 2034773598 GRIRLGXEXSYBKD-UHFFFAOYSA-N 271.294 -0.033 10 10 CBCE O=C(NC1CS(=O)(=O)C1)c1cc(O)c(O)c(O)c1 2068575195 BIMJQXBCEFAUMA-UHFFFAOYSA-N 273.266 -0.670 10 10 CBCE COc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(N)c1 2127687178 FVCBKABINKNULB-JTQLQIEISA-N 264.285 -0.933 10 10 CBCE C[C@@](CO)(NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132347932 AGDOVWYOPYSLTQ-NSHDSACASA-N 271.225 -0.631 10 10 CBCE COC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132351548 YEQMMLUNRXIESP-LURJTMIESA-N 271.225 -0.367 10 10 CBCE CNCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(F)c1 2183630843 FMHDOGLEQXDNJY-CHWSQXEVSA-N 282.315 -0.144 10 10 CBCE N=c1nnc(OCCC2(N)CCSCC2)n[nH]1 2213790786 XZZCERCNBSKHAB-UHFFFAOYSA-N 256.335 -0.327 10 10 CBCE Nc1ccc(O)c(CN=c2[nH]ccnc2S(N)(=O)=O)c1 2286453766 OFNNTRDYUREXJW-UHFFFAOYSA-N 295.324 -0.554 10 10 CBCE O=C(N[C@H]1CCC[C@@H](O)[C@H]1O)c1cc(O)nc(O)c1 2333446451 LQBNOPLCFSMHKP-RNSXUZJQSA-N 268.269 -0.503 10 10 CBCE O=C1CC[C@@H](C(=O)NCc2cccc(O)c2O)N1 1123977918 MLAJHTCIIYVJIN-QMMMGPOBSA-N 250.254 -0.007 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)C(F)(F)C1 2034602615 UJNSPYPZZIXBPK-ZCFIWIBFSA-N 260.196 -0.055 10 10 CBCE NC(=O)C1(NS(=O)(=O)Cc2ccc(N)cc2)CC1 2041818634 IZLJJPCHZHNWJK-UHFFFAOYSA-N 269.326 -0.294 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O 2121476651 WTICHQOPZLAINV-WGEPELCKSA-N 267.325 -0.107 10 10 CBCE CN(CCOCCN)C(=O)c1cc(O)c(O)c(O)c1 2132408308 VTWNNUMORTWSFU-UHFFFAOYSA-N 270.285 -0.149 10 10 CBCE Cc1cc(CO)ccc1N1C[C@H]2NC(=O)C(=O)N[C@@H]2C1 2166790502 HOUKBSQKPSEBQA-GHMZBOCLSA-N 275.308 -0.709 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@H](O)[C@H](O)C3)cc21 2188674890 AISIGCUNWQVWLZ-YNEHKIRRSA-N 278.308 -0.372 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4N)C[C@H]21 2201293115 JKQIUDGSUMYMOJ-LLHIFLOGSA-N 272.308 -0.194 10 10 CBCE O=C1Nc2cc(N3CC[C@@H]3[C@H](O)CO)c(F)cc2[C@H]1O 2286213759 XCKDHDMNJDCYQH-YUSALJHKSA-N 282.271 -0.257 10 10 CBCE N=c1nnc(OC[C@H]2C[C@H]3CNC[C@H](C3)C2)n[nH]1 2320277934 UYVCLSMJQMLWNN-AYMMMOKOSA-N 250.306 -0.306 10 10 CBCE Cc1cccc(CNC(=O)[C@@H](N)CC(N)=O)c1O 83384667 XEWIOFIATOXKII-VIFPVBQESA-N 251.286 -0.480 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](O)C3)ccc21 300144218 XTXJRRMSIXUESF-UTUOFQBUSA-N 263.297 -0.559 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)COc2ccc(N)cc2)C1 380477651 KHCABTSYPYKDMA-ZDUSSCGKSA-N 279.296 -0.904 10 10 CBCE CC(=O)C(=O)COC(=O)c1cccc(S(N)(=O)=O)c1C 808529148 YBXSDWHIVXZLTC-UHFFFAOYSA-N 299.304 -0.043 10 10 CBCE Cn1nnnc1CCCNC(=O)c1cccc(O)c1O 1558754314 HLEIRWITYINSPO-UHFFFAOYSA-N 277.284 -0.016 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)[C@@H]1CCNC1=O 1916802610 OTRWSPGQSWZEMK-MNOVXSKESA-N 260.297 -0.037 10 10 CBCE [N-]=[N+]=NC1CN(S(=O)(=O)N2CCC[C@H]2CO)C1 1998667142 PWRLROXWHIDYNJ-QMMMGPOBSA-N 261.307 -0.318 10 10 CBCE NC(=O)[C@@H](O)CNCc1ccc2c(c1)CCCO2 2027296979 PGOSIWPYZITEPA-NSHDSACASA-N 250.298 -0.053 10 10 CBCE O=C(N[C@@H]1CNCC[C@H]1CO)c1cccc(O)c1O 2116268266 IZWGXVSDJRDEPP-WCBMZHEXSA-N 266.297 -0.202 10 10 CBCE Cn1ncc(CNC(=O)c2cc(O)c(O)c(O)c2)n1 2132349119 YZVFEUGULSKCBL-UHFFFAOYSA-N 264.241 -0.138 10 10 CBCE O=C(O)[C@@H]1CNCCN1C(=O)Cc1ccc(O)c(O)c1 2144018722 JPGBHTQLAZZNAB-VIFPVBQESA-N 280.280 -0.475 10 10 CBCE CN(C)[C@H]1COC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926691 AOWUNHNEKJILCU-IUCAKERBSA-N 282.296 -0.138 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@@H]2CNC[C@@H]2O)cc1 2191758990 YZAQCSKEUOWHRQ-GWCFXTLKSA-N 279.340 -0.266 10 10 CBCE COc1cccc(CN2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)c1O 2200865688 SIAKUGUQUYWDGN-MKPLZMMCSA-N 283.280 -0.609 10 10 CBCE COc1cc(N2CC[C@](O)(CO)[C@H](O)C2)ccc1CN 2234097737 WCHLATVMPUKWFQ-KGLIPLIRSA-N 282.340 -0.552 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2311710900 ZMMDXDJTTIVVDR-STRQVWJDSA-N 252.314 -0.391 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](O)[C@H](O)C1 2328974564 XECMTNCAPIVJOX-XXILOJSOSA-N 265.313 -0.367 10 10 CBCE O=C1Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)ccc2[C@@H]1O 2331803188 HCDAHNWVCGMRBY-WOPDTQHZSA-N 264.281 -0.396 10 10 CBCE CN[C@H](C)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 54076012 MMRNFHWSKVZITL-VXNVDRBHSA-N 282.296 -0.182 10 10 CBCE O=C(NCC(F)(F)C(=O)O)c1cc(O)nc(O)c1 386530423 OYPDKOWYHKQBLV-UHFFFAOYSA-N 262.168 -0.058 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@@H]1CO 687591862 QQYXFZHHQNGGGM-ZWNOBZJWSA-N 277.324 -0.215 10 10 CBCE N[C@@H]1CCOC[C@@H]1NC(=O)c1cc(O)nc(O)c1 721622308 IGUOZIHNOCWXMH-SFYZADRCSA-N 253.258 -0.661 10 10 CBCE CNS(=O)(=O)CC(=O)N1Cc2cccc(O)c2C1 871202573 AXBHOQKNTFZZAT-UHFFFAOYSA-N 270.310 -0.216 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1CNCCS1(=O)=O 1340605632 LTZHMEBQIJZLMC-LBPRGKRZSA-N 298.364 -0.263 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H]3[C@H](N)[C@H]3C2)cc1 2071728541 GOIKLEBDNUHFDP-GDNZZTSVSA-N 267.354 -0.013 10 10 CBCE COCc1ncc([C@@H](NCCN=[N+]=[N-])C(N)=O)[nH]1 2078634519 WBWHVJKDGHRYRU-MRVPVSSYSA-N 253.266 -0.018 10 10 CBCE C[C@H](O)CNCCNC(=O)Cc1ccc(O)c(O)c1 2087728859 HSUJUJXYXLYFSC-VIFPVBQESA-N 268.313 -0.273 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc21 2105077068 YASYBRRJNVDNSS-VDDIYKPWSA-N 263.297 -0.430 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1 2121476166 TZGPLBPTHAJDAS-OXHZDVMGSA-N 267.325 -0.107 10 10 CBCE NCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(F)c1 2127700974 LZOSNGVYOGYEIK-SNVBAGLBSA-N 266.276 -0.926 10 10 CBCE CN1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)C1 2132348489 MOAOPSSWYJIMRG-OIBJUYFYSA-N 268.269 -0.792 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@]2(CO)C[C@]2(CO)C1 2146314142 PQZIADGQRPSMKP-CHWSQXEVSA-N 280.280 -0.690 10 10 CBCE COc1cc(C(=O)N[C@H](CO)CN(C)C)cc(OC)n1 2166945744 HJBUWCHKHFAZHW-JTQLQIEISA-N 283.328 -0.249 10 10 CBCE N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2cc(O)nc(O)c2)C1 2188785975 CCGXGUOTOFJPSG-SFYZADRCSA-N 281.268 -0.491 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@H]1[C@H](O)CO 2258345630 LHHDLYYQFWIBIY-GZMMTYOYSA-N 253.254 -0.335 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1OC 2289357754 KTXNVTXGQHAIDK-OLUVUFQESA-N 283.324 -0.146 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)[C@H]2COC[C@H]21 2329193504 OKUWDSQQSSPAGW-DJLDLDEBSA-N 266.253 -0.676 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@@H]3CO)ccc21 2335171383 GNTSXTXEVMEBTJ-KBVBSXBZSA-N 263.297 -0.430 10 10 CBCE Nc1ccc(NC(=O)CN2CC([C@@H](O)CO)C2)cc1 2336770939 GQJXFUNZURHURN-LBPRGKRZSA-N 265.313 -0.508 10 10 CBCE NS(=O)(=O)CCNC(=O)c1ccc(O)c(O)c1 231183161 HCYKPQBZSYTNSV-UHFFFAOYSA-N 260.271 -0.884 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@@H]1COC[C@@H]1O 708721564 VZXJOUKLHAXAQW-GRYCIOLGSA-N 264.281 -0.132 10 10 CBCE CN1CCO[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 1148586506 QGQKUBBLZPPRRT-VIFPVBQESA-N 282.296 -0.136 10 10 CBCE C[C@@H](NC(=O)[C@@H](CO)NC(N)=O)c1ccccc1O 1171722720 BQTUQQZOLJGENA-VXNVDRBHSA-N 267.285 -0.401 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2CNC[C@H]2O)cc1 1876518998 IPQNBNQIJJLTJL-BXKDBHETSA-N 265.313 -0.656 10 10 CBCE Nc1ccc(CC(=O)N2CC(S(N)(=O)=O)C2)cc1 1914973358 GTRVVMBPKHKUNM-UHFFFAOYSA-N 269.326 -0.689 10 10 CBCE COC[C@H](CN)NC(=O)c1cc(OC)nc(OC)c1 2110623883 XFLAICRXJFNUDJ-VIFPVBQESA-N 269.301 -0.198 10 10 CBCE NC(=O)CN(CC(=O)O)C(=O)Cc1ccc(O)c(O)c1 2144018920 KPVONGVUXPTPMY-UHFFFAOYSA-N 282.252 -0.961 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)[C@@H](CCO)C1 2149911193 FLFSTPRPSDZRAW-WPRPVWTQSA-N 282.296 -0.444 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@H]3COC[C@@H]32)cc1 2158407759 FNLMTCCWSXHFJM-AVGNSLFASA-N 277.324 -0.101 10 10 CBCE COc1ccc([C@H](C)N[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c(O)c1 2165122679 NAPFMYVZDGQECQ-WNOKBXESSA-N 283.324 -0.094 10 10 CBCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CN 2188910614 WBSFFWUXGMOCLR-SECBINFHSA-N 281.312 -0.482 10 10 CBCE C[C@H](N)[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188918191 CCUUZFJHUNACDN-WRWORJQWSA-N 282.296 -0.008 10 10 CBCE C[C@H](NC(=O)CCOc1ccc(N)cc1)C1(O)CNC1 2191681906 DHDMEXYFPDDEQS-JTQLQIEISA-N 279.340 -0.123 10 10 CBCE NC(=O)C1[C@@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4N)C[C@@H]12 2201293116 JKQIUDGSUMYMOJ-LNLATYFQSA-N 272.308 -0.194 10 10 CBCE COc1cc(N2CCOC[C@H]2[C@@H](O)CO)ccc1CN 2204540175 UZRMAZAGSJWYAH-STQMWFEESA-N 282.340 -0.288 10 10 CBCE N=c1nnc(OC[C@@H]2C[C@@H]3CCCC[C@@H]3N2)n[nH]1 2223872800 BJELJOSXTBXOJY-CIUDSAMLSA-N 250.306 -0.021 10 10 CBCE COc1ccc(N2CC[C@](O)(C(N)=O)C2)c(C=O)c1 2227697193 RSUITCZVSPWPIO-CYBMUJFWSA-N 264.281 -0.066 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@@H](O)[C@H](O)C3)cc21 2328977476 YYHGYCYSGAEHSZ-UTUOFQBUSA-N 264.281 -0.762 10 10 CBCE NC(=O)[C@H]1CCN(C[C@H](O)COc2ccc(N)cc2)C1 300527635 FIUWQWVSRIZIEK-JQWIXIFHSA-N 279.340 -0.184 10 10 CBCE CNC(=O)NCCNC(=O)[C@@H]1CNc2ccccc2N1 397397818 CCTKYKAYYCTTJK-NSHDSACASA-N 277.328 -0.062 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1CO 687592986 CMABNCHYLXUZKD-VIFPVBQESA-N 267.285 -0.759 10 10 CBCE O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(O)c(O)c(O)c1 1148586759 XBCMMPCRVATWFW-ZETCQYMHSA-N 287.293 -0.280 10 10 CBCE NCCc1nc(=NC(=O)Nc2ccc(N)cc2)[nH][nH]1 1876150968 XYSGFTOAIRHXEK-UHFFFAOYSA-N 261.289 -0.046 10 10 CBCE NC[C@@H]1C[C@H](O)CN1C(=O)COc1ccc(N)cc1 1876671945 FJKBDOINJVOUJC-QWRGUYRKSA-N 265.313 -0.432 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)C1CS(=O)(=O)C1 1912196106 SLJUQNXKQLHOMX-SSDOTTSWSA-N 294.358 -0.112 10 10 CBCE CN(CC(=O)O)S(=O)(=O)NCc1ccccc1O 2043252350 RHFINUFYFGGKSW-UHFFFAOYSA-N 274.298 -0.257 10 10 CBCE O=C(NC1([C@@H](O)CO)CC1)c1ccc(O)c(O)c1 2069743868 MENPXKBBPBTDTN-JTQLQIEISA-N 253.254 -0.287 10 10 CBCE Nc1ccc(CCN2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2127256835 DSWKTOMXQYAFRI-CHWSQXEVSA-N 264.325 -0.382 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1COC[C@H]1N 2132419093 PTYGCUVOSYQVJB-SFYZADRCSA-N 268.269 -0.399 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@@H]1C(=O)O 2157503157 KDXOCIVOWIGMCJ-CIUDSAMLSA-N 280.280 -0.443 10 10 CBCE COC(=O)C1(O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188874633 JFLTVMUVHNXAPI-UHFFFAOYSA-N 283.236 -0.837 10 10 CBCE N=c1nnc(OCC23CC(C(F)F)(CO2)C3)n[nH]1 2254983889 SQPFIHDUVBVVOZ-UHFFFAOYSA-N 259.216 -0.128 10 10 CBCE Oc1cc2c(cc1O)CN([C@H]1CNC[C@H]1O)CC2 2318671615 PUOZLNKBGMQMAS-GXFFZTMASA-N 250.298 -0.211 10 10 CBCE N[C@H](c1nnc([C@@H](O)CO)o1)c1cc(F)ccc1O 83512410 IQWVQFWKOKRRQQ-IUCAKERBSA-N 269.232 -0.012 10 10 CBCE NCc1cc(F)c(N2CC(=O)NC(=O)C2)c(F)c1 97269767 GPBHNNCOERTTTR-UHFFFAOYSA-N 255.224 -0.114 10 10 CBCE C[C@H]1C(=O)NCCN1S(=O)(=O)Cc1ccc(N)cc1 104136597 LXGMMAFKKCBDGT-VIFPVBQESA-N 283.353 -0.081 10 10 CBCE NCCCNCCCCN(CCCN)/[N+]([O-])=N/O 113852653 STVYBUMQUAJDER-PEZBUJJGSA-N 262.358 -0.378 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)NC1CC1 126046377 RJTGRJYGDVRGES-UHFFFAOYSA-N 298.368 -0.447 10 10 CBCE O=C(O)CN1CCN(Cc2ccc(O)c(O)c2)CC1=O 705753580 WBJVNVLLIUQSGU-UHFFFAOYSA-N 280.280 -0.173 10 10 CBCE O=C(CCc1nn[nH]n1)NCCc1ccc(O)c(O)c1 1545669360 WXYMHHJMLLQQIA-UHFFFAOYSA-N 277.284 -0.098 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H](N)CO)cc1 2016967073 YCWCNYSRKJEYHV-JTQLQIEISA-N 259.331 -0.992 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@H](O)[C@H](O)C1 2068405762 IAQKSGSQPYRZSK-PSASIEDQSA-N 253.254 -0.335 10 10 CBCE COc1cc(N2C[C@@H](O)[C@H](CO)C2)ccc1CO 2084015457 FSYZROOORNNIEN-CMPLNLGQSA-N 253.298 -0.023 10 10 CBCE Cn1[nH]c(CN)nc1=NC(=O)c1cccc(O)c1O 2126735164 YQLFZXIEMZMYFN-UHFFFAOYSA-N 263.257 -0.641 10 10 CBCE Cc1cc(CN)ccc1N1CCNC(=O)[C@H]1C(N)=O 2127701764 PMLZJSUDVLQKTK-LLVKDONJSA-N 262.313 -0.756 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2136584246 HMMSLRCDCNNTDU-VROVMSAKSA-N 262.265 -0.099 10 10 CBCE CN1C[C@H](N(CC(N)=O)Cc2ccc(N)cc2)[C@H](O)C1 2156968501 DGXBCSKYWRYXIN-QWHCGFSZSA-N 278.356 -0.769 10 10 CBCE O=C(N[C@H]1CNCC[C@H]1CO)c1cc(O)c(O)c(O)c1 2188920850 YWLUHAQAOFSSBA-CBAPKCEASA-N 282.296 -0.496 10 10 CBCE C[C@@H](O)CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2193548625 HZQOKKOZKULBRU-VXNVDRBHSA-N 283.280 -0.019 10 10 CBCE C[C@@H](N)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2201035420 JJDJHRMPZOQAMB-GOGQMOAUSA-N 288.294 -0.113 10 10 CBCE Cc1cc(N2CC[C@@](O)(CO)[C@@H](O)C2)ccc1CO 2225723589 BMLBYWKQEHKXOF-UONOGXRCSA-N 267.325 -0.218 10 10 CBCE O=S1(=O)CC(O)(CNCc2ccc3c(c2)CCO3)C1 2267900015 GOCROAVVKBXRHM-UHFFFAOYSA-N 283.349 -0.129 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](O)[C@H](O)CC1 2269147895 JRFWAHBWVRGBBK-DTORHVGOSA-N 268.269 -0.549 10 10 CBCE C[C@@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCNC1=O 2273361149 OZXRGOBMXIYNGX-GFCCVEGCSA-N 283.353 -0.033 10 10 CBCE N=c1nnc(OCc2cnn(CC(F)F)c2)n[nH]1 2320111179 SPSWYMAKWLZDKY-UHFFFAOYSA-N 257.204 -0.280 10 10 CBCE C[C@@]1(C(=O)O)COC[C@@H]1NC(=O)c1cc(O)nc(O)c1 90569548 CZXYVPMXRLHMLP-JVXZTZIISA-N 282.252 -0.288 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCc2nnn[nH]2)cc1 311523590 PTTJGZXGUJTZCD-UHFFFAOYSA-N 282.329 -0.556 10 10 CBCE O=C(N[C@@H](CO)CN1CCOCC1)c1cc(O)cs1 820011179 QILNPLIPJLNDKH-SECBINFHSA-N 286.353 -0.123 10 10 CBCE COc1ccc(CNC[C@H](O)CNC(=O)C(N)=O)cc1C 1699058724 KLLVEQPAGSGYTH-NSHDSACASA-N 295.339 -0.944 10 10 CBCE Nc1ccc(NC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(=O)O)cc1 1924750037 CLBBWZYBONLQJT-ZJUUUORDSA-N 298.320 -0.047 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1[C@H]1CS(=O)(=O)C[C@H]1O 2009443548 TVCFFOGZKQBGBL-XHNCKOQMSA-N 260.319 -0.081 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CO[C@@]2(CCOC2)C1 2058580067 NWYTVJPCTZKCSN-UWVGGRQHSA-N 255.278 -0.310 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)CO)c2n1 2063754302 QYZMYYJSMMJPDN-ZETCQYMHSA-N 250.258 -0.146 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COCC[C@@H]1O 2087730309 XDUDGYBIHJLECA-UWVGGRQHSA-N 267.281 -0.094 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H](O)CF 2093843548 YXVKHGLERBCUDU-BDAKNGLRSA-N 272.276 -0.586 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1ccc(O)cc1O 2108832690 QWEDGMFSZNGFHM-WZJGZQACSA-N 269.297 -0.397 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@@H]1CC(=O)NC1=O 2114739685 KKADUEVUIDBROB-SSDOTTSWSA-N 264.237 -0.415 10 10 CBCE CO[C@@H]1CN[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)[C@H]1OC 2140533385 CIGDJDXSMJZYND-VZUQHIROSA-N 270.329 -0.746 10 10 CBCE NC(=O)[C@]1(O)CCN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188574161 PDPWJYTYRAZLMI-LBPRGKRZSA-N 281.268 -0.486 10 10 CBCE NC(=O)N[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188874910 MCOQLSXPAQVFOE-SSDOTTSWSA-N 281.268 -0.314 10 10 CBCE C[C@H](c1ccc(O)cc1O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)O 2200862908 OMRMFXYVLZROPN-WGCWFIDGSA-N 283.280 -0.351 10 10 CBCE N=c1nnc(OC[C@H]2CNCC23CCCC3)n[nH]1 2219011975 ALKXCFCVVWMSEM-MRVPVSSYSA-N 250.306 -0.162 10 10 CBCE O=C(O)[C@H]1CC[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 2279203853 RJPBJJRHQTWGRV-JGVFFNPUSA-N 282.252 -0.457 10 10 CBCE CNC[C@@]1(O)CCCN(C(=O)c2cc(O)nc(O)c2)C1 2286346602 XYGQQZRQWJVYPK-ZDUSSCGKSA-N 281.312 -0.321 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(C=O)c1 2289400808 DEHRSEVVNQGCGQ-LEWSCRJBSA-N 281.308 -0.342 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1ccc(O)c(O)c1 300438206 GPSPGYTWCNTKBM-VJRRCQHZSA-N 264.281 -0.058 10 10 CBCE C[C@H](O)CN(CCO)C(=O)c1ccc(O)c(O)c1 311195648 GCSGWBGDKPRQNZ-QMMMGPOBSA-N 255.270 -0.087 10 10 CBCE CS(=O)(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 703015376 MGMIAHJASPRZNB-NSHDSACASA-N 297.336 -0.590 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1 706777690 LCTKXAKSADFNKP-VXGBXAGGSA-N 286.353 -0.162 10 10 CBCE O=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccc(O)cc1O 1557084904 SHIVXJZMJFTZRR-VIFPVBQESA-N 293.279 -0.298 10 10 CBCE O=C1CO[C@@H]2CCN(C(=O)c3cccc(O)c3O)C[C@H]2N1 1642158036 NEOKTMADGFBBEO-MWLCHTKSSA-N 292.291 -0.173 10 10 CBCE C[C@@H](O)[C@H](NC(=O)COc1ccc(N)cc1)C(=O)O 1860080298 BROBURREUBNXAE-HQJQHLMTSA-N 268.269 -0.402 10 10 CBCE NOCCCNS(=O)(=O)CCOc1ccc(N)cc1 1876414850 ZYVFRKBVDYUNEK-UHFFFAOYSA-N 289.357 -0.153 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCNC[C@H]2O)cc1 1876432543 UTUQVFHGSBZGCI-NWDGAFQWSA-N 265.313 -0.513 10 10 CBCE CC1(C)OC[C@@H](NC(=O)c2cc(O)nc(O)c2)[C@H]1O 1910829608 SPCAHGCSZHAIMX-GMSGAONNSA-N 268.269 -0.239 10 10 CBCE O=C(O)C1([C@@H](O)c2cc(O)c(O)c(O)c2)CNC1 1951474086 VRBDHNPQQJAKFZ-VIFPVBQESA-N 255.226 -0.489 10 10 CBCE CN(CC(CO)CO)C(=O)c1cc(O)c(O)c(O)c1 2132348686 QQLNWBBFSYUXKR-UHFFFAOYSA-N 271.269 -0.524 10 10 CBCE COCC[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2132348771 RVWCWHMWVJZYSV-QMMMGPOBSA-N 271.269 -0.069 10 10 CBCE COc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1CN 2139683243 SRLBEJBOEJNXLM-GMXVVIOVSA-N 268.313 -0.943 10 10 CBCE C[C@@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(F)c1 2184137128 BBKGRCWKDHZARU-HQJQHLMTSA-N 280.303 -0.365 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@@H](O)[C@@H](O)C1 2188680808 MWFVDCKDFJCTFP-XQQFMLRXSA-N 277.324 -0.153 10 10 CBCE N[C@@]1(CO)CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188917871 AFHIPNFEZOOQOY-ZDUSSCGKSA-N 282.296 -0.271 10 10 CBCE CN(Cc1nnc[nH]1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 80549954 AMBKGKHLRABASX-VIFPVBQESA-N 291.311 -0.256 10 10 CBCE N[C@H](c1nnc(C2CNC2)o1)c1ccc(O)c(O)c1O 83585087 ADVWKZSJUXFYJO-QMMMGPOBSA-N 278.268 -0.079 10 10 CBCE C[C@@H](NC(=O)COc1ccc(N)cc1)[C@@H](O)CO 698970657 MYDYXBQABYZULM-KCJUWKMLSA-N 254.286 -0.495 10 10 CBCE CNS(=O)(=O)NCC(=O)N[C@H](C)c1ccccc1O 1587447227 MOIOPGZKYOAYLJ-MRVPVSSYSA-N 287.341 -0.377 10 10 CBCE Cc1nn(CC(=O)NCCc2ccc(O)c(O)c2)c(=O)o1 1595751070 DHNQHZBYYIUWLO-UHFFFAOYSA-N 293.279 -0.085 10 10 CBCE O=C(C[C@@H]1CC(=O)NC1=O)NCc1cc(O)ccc1O 1633599161 QNSSRLARJGZYQE-SSDOTTSWSA-N 278.264 -0.233 10 10 CBCE Nc1cc2c(cc1N1C[C@H]3C(N)[C@@H]3C1)NC(=O)CO2 1876188234 KMRSLZCFYLBSAJ-RNFRBKRXSA-N 260.297 -0.007 10 10 CBCE NC1CCN(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1 2049784841 RKIUCRWJBKUYBT-HOMQSWHASA-N 253.346 -0.325 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1N 2058640685 WHCJLCRMWFPQGV-HTQZYQBOSA-N 253.258 -0.709 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@H]1O 2105100818 GGNYZFNZLPJPAF-IVZWLZJFSA-N 266.297 -0.393 10 10 CBCE O=C(N[C@H]1CNCC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132347948 ALWDXVZXBXQARN-YUMQZZPRSA-N 268.269 -0.744 10 10 CBCE COC[C@H](C)NC(=O)Cn1ccc2c(c1=O)CNCC2 2150801053 RAQFDQHBZBRCJX-JTQLQIEISA-N 279.340 -0.355 10 10 CBCE COC(=O)C1(N)CC(NC(=O)c2cc(O)nc(O)c2)C1 2151219755 LTWGSFGVFQHUPK-UHFFFAOYSA-N 281.268 -0.745 10 10 CBCE COC[C@@H](NC(=O)[C@H]1CNc2ccccc2N1)C(N)=O 2152365549 LHLHLRZTINQBTP-GHMZBOCLSA-N 278.312 -0.491 10 10 CBCE NC[C@H](CO)NC(=O)c1ccn(-c2ccc(N)cc2)n1 2191899559 ZSKWEXMJXFPDGB-SNVBAGLBSA-N 275.312 -0.496 10 10 CBCE Nc1ccc(OCCC(=O)NC(CO)CO)cc1 87749174 FNBOFYSYKBHIAY-UHFFFAOYSA-N 254.286 -0.493 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)C3)c(Cl)cc21 236309287 FHMDJQSURHSFJQ-AXFHLTTASA-N 283.715 -0.166 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1cc(O)nc(O)c1 250757062 GLKWPUKTPWDBFG-AOCCWBLSSA-N 265.269 -0.663 10 10 CBCE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1c(N)cccc1C(N)=O 697000999 LREMCKSCINXBFN-NXEZZACHSA-N 299.352 -0.408 10 10 CBCE CC(=O)C(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 808485091 XGUJDPNVOIAAOW-UHFFFAOYSA-N 270.241 -0.982 10 10 CBCE O=C(NCc1ccc(O)c(O)c1)[C@]1(O)CCOC1 1294868550 BJIKMTUIQUYWED-LBPRGKRZSA-N 253.254 -0.135 10 10 CBCE CN1CCO[C@@H](C(=O)NCc2c(O)cccc2O)C1=O 1645363432 VBLDUOYMOQWSKY-NSHDSACASA-N 280.280 -0.429 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2(CCO)CNC2)cc1 1876413274 GNBRXTNGYSJXNA-UHFFFAOYSA-N 285.369 -0.587 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCOC[C@H](N)C2)cc1 1876533331 OCCVTKAYADLUJT-GFCCVEGCSA-N 285.369 -0.242 10 10 CBCE COC[C@@](O)(CO)CNCc1c(O)cccc1F 1966068794 ZMCZJVPEUSUGTK-LBPRGKRZSA-N 259.277 -0.009 10 10 CBCE N[C@H]1COCC[C@H]1NC(=O)c1cc(O)nc(O)c1 2031531730 DUMHQFZHBJYBIR-JGVFFNPUSA-N 253.258 -0.661 10 10 CBCE O=C(N[C@H]1CNCC[C@@H]1O)c1ccc(O)c(O)c1 2063330468 ZJLZKMXRAICPFT-IUCAKERBSA-N 252.270 -0.450 10 10 CBCE O=C1NC[C@H](CNC(=O)c2cc(O)nc(O)c2)O1 2066428082 HKVTZEGEIWNQIH-LURJTMIESA-N 253.214 -0.669 10 10 CBCE Nc1ccc(OCCN2CCOC[C@H]2[C@@H](O)CO)cc1 2146328874 JRWQREXLMWDRDG-KBPBESRZSA-N 282.340 -0.298 10 10 CBCE CN(c1cc2c(cc1N)OCCO2)[C@@H]1CC(=O)NC1=O 2171202820 MCBULOLYXFCSOU-SECBINFHSA-N 277.280 -0.109 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@@H]2C[C@@H]21 2171877681 OUVZFTVFHJASLM-OUJBWJOFSA-N 278.308 -0.033 10 10 CBCE NC1(CO)CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2188919385 MKEKVSDBJQXDPZ-UHFFFAOYSA-N 282.296 -0.271 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](N)[C@@H]3COC[C@H]32)cc1 2191531537 SQORZMXAQHPVOY-RWMBFGLXSA-N 297.380 -0.244 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CO[C@@H]3CNC[C@@H]23)cc1 2191731154 PXANNZWUPCNPJJ-YNEHKIRRSA-N 277.324 -0.249 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1(O)CSC1 2283001897 OZVXMVJNRFJGTA-VIFPVBQESA-N 298.364 -0.438 10 10 CBCE C[C@H](CN)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 54343338 ZNCZAMWQCKWMSE-VXNVDRBHSA-N 282.296 -0.196 10 10 CBCE O=C(N[C@H]1COC[C@H]1C(=O)O)c1ccc(O)c(O)c1 236456993 MSQUOSDWPDFSLD-SFYZADRCSA-N 267.237 -0.073 10 10 CBCE O=C1Cc2cc(N3CCNCC3)ccc2N1C[C@H](O)CO 259406999 ITRFWEDRNUPQFD-ZDUSSCGKSA-N 291.351 -0.662 10 10 CBCE O=C(NC[C@@H]1CNCCCO1)c1cc(O)nc(O)c1 390018482 VSYBWMZGNOFJPQ-VIFPVBQESA-N 267.285 -0.399 10 10 CBCE C[C@H](NC(N)=O)C(=O)NCCOc1ccc(N)cc1 700774841 IQZLAFMHDZMMDG-QMMMGPOBSA-N 266.301 -0.179 10 10 CBCE O=C(CN1C[C@@H](CO)[C@H](CO)C1)c1ccc(O)c(O)c1 704767847 AKGPRLFXRHCVOA-QWRGUYRKSA-N 281.308 -0.187 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC2(O)CC(N)C2)cc1 1876537787 YONNEGGINYBUCB-UHFFFAOYSA-N 285.369 -0.460 10 10 CBCE [N-]=[N+]=NC1CCN(S(=O)(=O)C2CS(=O)(=O)C2)CC1 1912166813 CAYLOLWOACUGRZ-UHFFFAOYSA-N 294.358 -0.112 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2cccc(O)c2O)C1 2057721031 RAKYGHRZIYYMDV-WCBMZHEXSA-N 273.310 -0.655 10 10 CBCE CO[C@@H]1C[C@@H](CN)N(C(=O)c2cc(O)nc(O)c2)C1 2090743522 NTKFDYAKGGEWAK-DTWKUNHWSA-N 267.285 -0.319 10 10 CBCE Nc1ccc(OCC(=O)N2CC(OCCO)C2)cc1 2095969750 MUJUOSJOWGLUGG-UHFFFAOYSA-N 266.297 -0.133 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(O)c(O)c2)[C@H](O)[C@@H]1O 2121473578 IVOCSDQTCNHUEO-NGERZBJRSA-N 269.297 -0.710 10 10 CBCE OC[C@@H]1C[C@H](NCc2c(O)cccc2F)[C@H](O)[C@H]1O 2121477216 ZZYAQKIOJFBMLV-QNWTXNENSA-N 271.288 -0.277 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@@H](CO)[C@@H](O)C2)ccc1CO 2132058020 LFPGFQSNPREKOM-CABZTGNLSA-N 268.269 -0.124 10 10 CBCE Nc1cc2c(cc1N1CC[C@@H](O)[C@H](O)C1)OCCO2 2132138339 SQPYTKRYDGBSON-GHMZBOCLSA-N 266.297 -0.028 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2136346293 YRGMXTOCOMOFQB-AVGNSLFASA-N 270.304 -0.552 10 10 CBCE CN1CCc2cc([C@@H](O)[C@H](N)c3nnnn3C)ccc21 2148168075 HFKGBHFABQILMF-NWDGAFQWSA-N 274.328 -0.064 10 10 CBCE C[C@H](NC(=O)[C@]1(O)CCNC[C@@H]1O)c1ccccc1O 2197488093 JSDOZSMWFNRXEN-WFBYXXMGSA-N 280.324 -0.345 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1cc(N)ccc1O 2225700708 GZCOYUVPDYMAKP-KGYLQXTDSA-N 268.313 -0.473 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)[C@H](O)CC1 2284563327 LAUISNSPXUQCDR-DTORHVGOSA-N 283.280 -0.239 10 10 CBCE Nc1ccc(CCNS(=O)(=O)CC(=O)O)cc1 63129889 DGUYWJIQVMRAIN-UHFFFAOYSA-N 258.299 -0.185 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1CC(=O)Nc1ccc(N)cc1 97290111 MLHABAIGXIBFRS-QMMMGPOBSA-N 276.296 -0.446 10 10 CBCE C[C@@H](CNC(=O)CCc1ccc(N)cc1)S(N)(=O)=O 398239912 OFNFUXCEMOYJJU-VIFPVBQESA-N 285.369 -0.005 10 10 CBCE NC[C@]1(CO)COCCN1Cc1ccc(O)c(O)c1 693935268 WWXRSYROORUIAU-ZDUSSCGKSA-N 268.313 -0.380 10 10 CBCE CCNCc1ccc(N2CC(O)(C(N)=O)C2)c(F)c1 1915248435 GKKUEYBXLQJKAW-UHFFFAOYSA-N 267.304 -0.028 10 10 CBCE COC(=O)[C@@H](N)[C@@H](OC)c1cc(O)c(O)c(O)c1 1952305612 AYPJCILVXGPXJE-WPRPVWTQSA-N 257.242 -0.009 10 10 CBCE NCc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1 2029659313 GVMYIVZPLSECSJ-QWHCGFSZSA-N 252.314 -0.296 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCNC[C@H]1O 2071716447 PPPNJYMSDHJWNI-VHSXEESVSA-N 250.302 -0.498 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)[C@@H](O)C1 2132165404 LFIOJWPJXRDZLN-JQWIXIFHSA-N 267.281 -0.406 10 10 CBCE Nc1ccc(CNC(=O)Cn2cc(C(=O)O)nn2)cc1 2162275479 IPPFOJMIBAKSAI-UHFFFAOYSA-N 275.268 -0.125 10 10 CBCE O=C(O)CC1(O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 2166991187 JLHWXXKHGXNYOJ-UHFFFAOYSA-N 281.264 -0.312 10 10 CBCE O=C(N[C@H]1CCn2nnnc2C1)c1cccc(O)c1O 2175911607 GQWLEIDJOIXHKR-ZETCQYMHSA-N 275.268 -0.171 10 10 CBCE C[C@@H](C(=O)O)N1CC(NC(=O)c2ccc(O)c(O)c2)C1 2188306646 ANTMCDHIJQQYGG-ZETCQYMHSA-N 280.280 -0.015 10 10 CBCE NC(=O)N1CC(CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188921899 DXHXWXUAEGNHNL-UHFFFAOYSA-N 281.268 -0.456 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(CN)c1 2333715568 AVXWAFWAOXVEHA-XQQFMLRXSA-N 268.313 -0.943 10 10 CBCE Nc1ccc(CC(=O)NCCS(=O)(=O)CCO)cc1 2335879772 KIANFMDERDLMIX-UHFFFAOYSA-N 286.353 -0.665 10 10 CBCE CN1CCN(NS(=O)(=O)Cc2ccc(N)cc2)CC1 214727087 FUMXFRUILHOTSM-UHFFFAOYSA-N 284.385 -0.149 10 10 CBCE CN1CCNC[C@@H]1CNC(=O)c1cc(O)nc(O)c1 394066700 GXBDSFSKWYBAEH-SECBINFHSA-N 266.301 -0.874 10 10 CBCE CN1CCC(O)(CNC(=O)c2cc(O)nc(O)c2)CC1 397682793 MMBKLLNJGIXHIF-UHFFFAOYSA-N 281.312 -0.321 10 10 CBCE CN(C)C[C@@H](O)CNC(=O)c1ccc(O)c(O)c1 717413165 PUOMZAKDQQDRDT-VIFPVBQESA-N 254.286 -0.250 10 10 CBCE CC(=O)C(=O)COC(=O)CS(=O)(=O)CC(C)C 808505749 OATKCFAVNAYCFN-UHFFFAOYSA-N 264.299 -0.242 10 10 CBCE CONC(=O)CNC(=O)c1ccc(C)c(O)c1O 1304258867 QUPTVRYZBPAVNM-UHFFFAOYSA-N 254.242 -0.186 10 10 CBCE O=C1C[C@@H](C(=O)NCc2c(O)cccc2O)NC(=O)N1 1639292615 KFFQSZLFQNUNDR-ZETCQYMHSA-N 279.252 -0.688 10 10 CBCE COC(=O)[C@@H](CO)NC(=O)COc1ccc(N)cc1 1876433510 CJSVVMHXHAUUJE-SNVBAGLBSA-N 268.269 -0.702 10 10 CBCE [N-]=[N+]=NC[C@H]1CCN(S(=O)(=O)C2CS(=O)(=O)C2)C1 1912151017 BOXVDLUSEAMDMB-SSDOTTSWSA-N 294.358 -0.255 10 10 CBCE [N-]=[N+]=NC1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1912182263 ZKZDDENEISJSKW-IUCAKERBSA-N 260.319 -0.081 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N(CCO)C3COC3)ccc21 1915538389 CMVHUWMPBABWQS-LBPRGKRZSA-N 263.297 -0.164 10 10 CBCE O=S1(=O)C[C@@H](NCc2cccc(F)c2O)[C@@H](O)C1 2057721591 UZAQIDNFXBFDKI-ZJUUUORDSA-N 275.301 -0.221 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCC1(CO)CO 2073920226 KEUWSMMIPKDEMM-UHFFFAOYSA-N 253.254 -0.333 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@H]3C(N)=O)cc21 2089367788 BNQSVLVWOHELHR-GXSJLCMTSA-N 261.281 -0.240 10 10 CBCE N[C@@H]1COC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132417363 CTDBQKGJCMGNJF-HTQZYQBOSA-N 268.269 -0.493 10 10 CBCE NCC1(O)CC(C(=O)NCCc2ccc(O)c(O)c2)C1 2166544457 PHALMWZHFDHJLG-UHFFFAOYSA-N 280.324 -0.144 10 10 CBCE CN(C)CCN(CCN)C(=O)c1cc(O)nc(O)c1 2265835370 NMXKSGYDSJYYKV-UHFFFAOYSA-N 268.317 -0.545 10 10 CBCE CO[C@H](CN)CNC(=O)COc1ccc(N)cc1 2317603027 LXPCMLFPULVMKJ-LLVKDONJSA-N 253.302 -0.263 10 10 CBCE O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(O)c(O)c1 86815875 GHWIUQRPRQJWBL-SECBINFHSA-N 280.280 -0.127 10 10 CBCE CCC(CO)(CO)NC(=O)c1ccc(O)c(O)c1 230904715 CKFXWAVSLJTVGH-UHFFFAOYSA-N 255.270 -0.039 10 10 CBCE CCN(CC(N)=O)C(=O)COc1ccc(N)cc1 231812698 BGNOGTKAQNLXLG-UHFFFAOYSA-N 251.286 -0.019 10 10 CBCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H](O)CO 698962506 SVSVNFKJDZCRQI-LDYMZIIASA-N 274.342 -0.570 10 10 CBCE N[C@H]1CCOC[C@H]1NC(=O)c1cccc(O)c1O 710980474 DPPPMXWEAAWPNO-DTWKUNHWSA-N 252.270 -0.056 10 10 CBCE O=C(Cn1ccc(O)nc1=O)NCc1c(O)cccc1O 1472063729 OUKMPJIOIKSWKA-UHFFFAOYSA-N 291.263 -0.324 10 10 CBCE O=C(CCO)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 1879129270 CAIXNGBQCZROLT-MRVPVSSYSA-N 269.253 -0.408 10 10 CBCE O=C(NC[C@H]1COC[C@@H]1O)c1ccc(O)c(O)c1 2036576923 KSENRCXDEZKZNG-KWQFWETISA-N 253.254 -0.165 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC[C@@H](O)CO)cc1 2061854142 FBVNXJZOAMDKJD-LLVKDONJSA-N 274.342 -0.569 10 10 CBCE CN(C(=O)CN1CC[C@@H]1C(N)=O)c1ccc(N)cc1 2089357666 BHCFQNKAQRCPIK-LLVKDONJSA-N 262.313 -0.209 10 10 CBCE CO[C@H]1CNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132412521 FDVWDWIMUHSETM-XVKPBYJWSA-N 268.269 -0.480 10 10 CBCE N=c1[nH][nH]cc1S(=O)(=O)NCCc1ccc(O)c(O)c1 2148010131 UMUUPRPEZYPSQF-UHFFFAOYSA-N 298.324 -0.246 10 10 CBCE O=C(N[C@@H]1CN[C@]2(CCOC2)C1)c1cc(O)nc(O)c1 2155204272 XQJWUWQCTKWEAJ-TVQRCGJNSA-N 279.296 -0.256 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](O)C[C@@H](O)C1 2161393441 ITOOEZXQHZYDJN-CWSCBRNRSA-N 277.324 -0.153 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2174106395 HOAYGNDQIVASIG-MNOVXSKESA-N 299.352 -0.669 10 10 CBCE Nc1ccc(OCC(=O)NC2[C@H]3CS(=O)(=O)C[C@H]23)cc1 2174708438 SGFBVUYDZSIYIY-QWRGUYRKSA-N 296.348 -0.193 10 10 CBCE CO[C@H]1C[C@H](CN)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188925088 SEMMKBZDTXENDN-BDAKNGLRSA-N 282.296 -0.008 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2[C@H]3OCC[C@@H]3[C@H]2N)cc1 2191748335 UENRVKOVUWEUBM-ZRJCITRHSA-N 277.324 -0.122 10 10 CBCE N=c1nnc(Nc2ccc(-n3cnnn3)cc2)n[nH]1 2226142586 UCDCRFLEJZLHQM-UHFFFAOYSA-N 256.233 -0.602 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@H]1NC(=O)c1cc(O)nc(O)c1 2258677069 RBOGFAKSRJWJIN-FWWHASMVSA-N 254.242 -0.629 10 10 CBCE CC[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459757 KEPMWDPIGAYYQV-UWVGGRQHSA-N 268.313 -0.145 10 10 CBCE C[C@@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40482002 OUEPFYLEAOSZPV-CBAPKCEASA-N 282.296 -0.053 10 10 CBCE CS(=O)(=O)CCCN(CC(N)=O)Cc1ccc(N)cc1 63015368 NZEJVHGZPNGUEX-UHFFFAOYSA-N 299.396 -0.009 10 10 CBCE Nc1nonc1C(=O)NCc1ccc(O)cc1O 83382058 CWOFAEJZZQZTQQ-UHFFFAOYSA-N 250.214 -0.007 10 10 CBCE NC(=O)[C@H]1COCCN1C(=O)c1cccc(O)c1O 126518318 HWVGJYCJOGOYCG-MRVPVSSYSA-N 266.253 -0.576 10 10 CBCE C[C@H](CCO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 133266331 GXIWDIHOSYXLIG-SCZZXKLOSA-N 268.313 -0.145 10 10 CBCE COC(=O)CC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 168747908 MOCKBBXXLPDVRO-ZETCQYMHSA-N 298.251 -0.371 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)c1cccc(O)c1O 253098411 SZARJJFFQQZXNC-XRWULPTJSA-N 264.281 -0.058 10 10 CBCE CC(=O)C(=O)COC(=O)c1nnn(-c2ccn(C)n2)c1C 814577552 MKPJNXHAAHNRMT-UHFFFAOYSA-N 291.267 -0.376 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2ccc3c(c2)CCO3)C1 895686245 AEXGNPZPHAUMGD-VXGBXAGGSA-N 283.349 -0.131 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](N)[C@@H]3COC[C@H]32)cc1 1967372625 XFJNSIQBMGYDRH-RWMBFGLXSA-N 261.325 -0.004 10 10 CBCE NC[C@@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 2016968967 FFAGSBKYELLJAY-SNVBAGLBSA-N 259.331 -0.992 10 10 CBCE CC(C)(O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2188039154 HRDJAXACIROTQV-NSHDSACASA-N 283.280 -0.019 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CO[C@H]3CNC[C@H]23)cc1 2191644991 MNSIZDHDLVCULT-UPJWGTAASA-N 297.380 -0.325 10 10 CBCE NCCCN(CCO)C(=O)COc1ccc(N)cc1 2266403714 PNFOBNGTOZSILU-UHFFFAOYSA-N 267.329 -0.183 10 10 CBCE COCCNC(=O)CNCc1ccc(O)cc1O 134585656 DEGQOGJWXHDENZ-UHFFFAOYSA-N 254.286 -0.050 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)[C@H](CO)C1 316112833 LCKBWPCAWOYEFW-GZMMTYOYSA-N 253.254 -0.477 10 10 CBCE O=C(C[C@@H]1NC(=O)NC1=O)NCCc1ccc(O)c(O)c1 1320026680 MVURTIASEGZSGA-QMMMGPOBSA-N 293.279 -0.645 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCC2(O)CNC2)cc1 1876462635 UHEAWSOONXGJTP-UHFFFAOYSA-N 285.369 -0.587 10 10 CBCE NC[C@H]1C[C@@H](O)CN1C(=O)COc1ccc(N)cc1 1876668916 FJKBDOINJVOUJC-GHMZBOCLSA-N 265.313 -0.432 10 10 CBCE Nc1ccc(NC(=O)CCN2CC(CO)(CO)C2)cc1 1914991484 LPMBXUOHYHWOEV-UHFFFAOYSA-N 279.340 -0.116 10 10 CBCE COC[C@@](O)(CO)CNCc1cc(F)ccc1O 1966068352 URDXPAFOGWVXER-LBPRGKRZSA-N 259.277 -0.009 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@H]1O)c1ccc(O)c(O)c1 2046405953 OJKRAHXPOIXDHO-QXFUBDJGSA-N 253.254 -0.288 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNC[C@H]2O)cc1 2071660854 UWGAJIIOVRGTMK-GHMZBOCLSA-N 271.342 -0.979 10 10 CBCE C[C@H](O)CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2193547190 HZQOKKOZKULBRU-IONNQARKSA-N 283.280 -0.019 10 10 CBCE N[C@@H]1CCc2cc(N3CC[C@@](O)(CO)[C@@H](O)C3)ccc21 2234097597 VIDJJMXAAAAMPS-QLFBSQMISA-N 278.352 -0.073 10 10 CBCE Cc1cccc(CNS(=O)(=O)C[C@@H](N)C(=O)O)c1O 2270505115 BNOVOZPBJQQGDT-SECBINFHSA-N 288.325 -0.468 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H]1[C@H](O)CO 2270715284 ZNEITWBDYSHXQD-OIBJUYFYSA-N 269.253 -0.629 10 10 CBCE O=C(CN1C[C@@H]2C[C@H]1[C@H](O)[C@H]2O)c1ccc(O)c(O)c1 2354470910 GHLUFRWNJBHGSE-WBRVRECLSA-N 279.292 -0.294 10 10 CBCE CC(=O)c1cc(F)cc(CN(CC(N)=O)CC(N)=O)c1O 61808173 VOGHTCVIIMSMCV-UHFFFAOYSA-N 297.286 -0.494 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@H]1CO 126570254 JVSLWGBGVSOLCV-MRVPVSSYSA-N 253.254 -0.069 10 10 CBCE C[C@]1(CO)C[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 698126228 DYQJIZVXFBHWPC-PRHODGIISA-N 268.269 -0.549 10 10 CBCE COC[C@H](ONC(=O)Cc1ccc(N)cc1)C(=O)O 709721561 GKTLGFGZLHDQDH-JTQLQIEISA-N 268.269 -0.041 10 10 CBCE CO[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876405725 HIJRRMFRHLHQHD-VXGBXAGGSA-N 285.369 -0.325 10 10 CBCE O=C(N[C@@H]1CCNCC[C@H]1CO)c1cc(O)nc(O)c1 1921722353 GQLSJUAQOHPWMT-WCBMZHEXSA-N 281.312 -0.417 10 10 CBCE CNC(=O)CN(CC(=O)NC)Cc1ccc(F)cc1O 1967709871 KPQFNXGFBTWKHE-UHFFFAOYSA-N 283.303 -0.175 10 10 CBCE CN1CCO[C@@H](C(=O)Nc2ccc(O)c(O)c2)C1=O 2062249254 FYWCIVVCQHXOEX-JTQLQIEISA-N 266.253 -0.107 10 10 CBCE NC(=O)NCCCNS(=O)(=O)Cc1ccc(N)cc1 2111560226 GHRQAFYYZLVJPV-UHFFFAOYSA-N 286.357 -0.253 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2174106397 HOAYGNDQIVASIG-WDEREUQCSA-N 299.352 -0.669 10 10 CBCE O=C1CC2(CN1)CN(c1ccc3c(c1)NC(=O)[C@H]3O)C2 2176159832 NDROKUGHHHJVIC-LBPRGKRZSA-N 273.292 -0.002 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@H]2CNC[C@@H]2O)cc1 2191758992 YZAQCSKEUOWHRQ-MFKMUULPSA-N 279.340 -0.266 10 10 CBCE N=c1nnc(OC[C@@]23CCCC[C@H]2CNC3)n[nH]1 2222986829 RPYCSCLJTUVJNP-KWQFWETISA-N 250.306 -0.162 10 10 CBCE Cc1ccc(O)c([C@@H](N)C(=O)NC[C@H](O)CO)c1 83398394 JXMLLQPROMTPRM-GZMMTYOYSA-N 254.286 -0.830 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H](O)C[C@H]3CO)cc21 698137849 MIBVSIUILVAFMY-OPQQBVKSSA-N 278.308 -0.372 10 10 CBCE NC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 1148583787 BHWJLQRXGUJKRS-UHFFFAOYSA-N 281.268 -0.360 10 10 CBCE O=C(CO)NCCC(=O)NCc1c(O)cccc1O 1304053619 PQCHYYSGNLOKJR-UHFFFAOYSA-N 268.269 -0.787 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2ccc(F)cc2O)C1 2084167055 XGVGXMNFNUEWHB-GXSJLCMTSA-N 275.301 -0.221 10 10 CBCE C[C@@H](O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2087725743 ZFLRLVMYIIOVJG-KBUNVGBDSA-N 269.253 -0.410 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)CC12CNC2 2130066302 PUGQZWPUXKHQKR-QMMMGPOBSA-N 264.281 -0.353 10 10 CBCE Nc1ccc(OCC(=O)N2CCCC2(CO)CO)cc1 2146081980 PVVJWBYZAWAZSN-UHFFFAOYSA-N 280.324 -0.007 10 10 CBCE Nc1cc2c(cc1N1CC(OCCO)C1)NC(=O)CO2 2152289361 CAHIMKLZNDLALY-UHFFFAOYSA-N 279.296 -0.203 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2160716445 MNSNSXGWJODFCQ-MGAJPHDKSA-N 298.364 -0.476 10 10 CBCE Cn1cc(C(=O)Nc2ccc(N)cc2)c(=O)n(C)c1=O 2160958420 RQLQUSIFVQXLMX-UHFFFAOYSA-N 274.280 -0.082 10 10 CBCE O=C(C[C@@H]1CNC[C@H]1O)NCCc1ccc(O)c(O)c1 2174342151 UFSZWMIUURIJSV-ZWNOBZJWSA-N 280.324 -0.273 10 10 CBCE O=C(O)C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2174352297 RNIYLUYJUQIAJL-SFYZADRCSA-N 282.252 -0.600 10 10 CBCE CN(C)C[C@@H](N)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2188924178 PJNLDCSTDGMEIZ-SECBINFHSA-N 283.328 -0.236 10 10 CBCE OCc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1 2218686467 WKHPTZWBKKDULE-OLZOCXBDSA-N 253.298 -0.527 10 10 CBCE CN(CC1(O)CNC1)C(=O)c1ccc(O)c(O)c1 2259134971 YRHNGZYNXLWBFF-UHFFFAOYSA-N 252.270 -0.496 10 10 CBCE N[C@H](CO)C(=O)N1CCc2cc(O)c(O)cc2C1 2318627600 VQZXYTOLBWIKII-SECBINFHSA-N 252.270 -0.698 10 10 CBCE NC[C@H](O)CC(=O)N1CCc2cc(O)c(O)cc2C1 2341202610 UXLBBVLFQOLDIJ-SNVBAGLBSA-N 266.297 -0.308 10 10 CBCE NC(=O)NCCNCc1cc2c(cc1O)OCO2 132592789 VKVFCHPCWUBMET-UHFFFAOYSA-N 253.258 -0.121 10 10 CBCE OCC(CO)(CO)NCc1ccc2c(c1)CCO2 236498346 VWPQZZPFDOAFGQ-UHFFFAOYSA-N 253.298 -0.573 10 10 CBCE Nc1ccc(O)c(CN2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c1 386941958 HNAOEHQBDMRTKU-NXEZZACHSA-N 261.281 -0.321 10 10 CBCE COc1ccc(O)c(CN[C@@H]2CN(C)NC2=O)c1 393908026 ROUQLUKUQJGKTH-SNVBAGLBSA-N 251.286 -0.164 10 10 CBCE C[C@@H](O)[C@H](O)CNCc1cc2c(cc1O)OCO2 717287484 IRTLZRGGEOAQMS-GMSGAONNSA-N 255.270 -0.048 10 10 CBCE Nc1cccc(F)c1N[C@@H]1CS(=O)(=O)C[C@@H]1O 2008560568 LNQJKOUESIRIPB-BDAKNGLRSA-N 260.290 -0.022 10 10 CBCE CNC(=O)[C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1 2068566661 LCKJYQQZADVWJC-RXMQYKEDSA-N 254.242 -0.332 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)cc1 2121367302 GTHHLAVVMGXFMD-WDEREUQCSA-N 284.337 -0.915 10 10 CBCE Nc1cc2c(cc1N1CC([C@H](O)CO)C1)OCCO2 2336774203 PKMAOZABBQMFGE-LLVKDONJSA-N 266.297 -0.171 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1ccc(C)cc1O 83391589 NPOZJVAGUORGIC-NSHDSACASA-N 252.270 -0.010 10 10 CBCE CN(C)c1ccc([C@@H](N)C(=O)NC[C@H](O)CO)cc1 83495156 FKPGVVQZTVGZNS-NWDGAFQWSA-N 267.329 -0.778 10 10 CBCE NC(=O)CN(C(=O)c1cccc(O)c1O)[C@H]1CCNC1 126098143 BFZKYIONYXXUIF-QMMMGPOBSA-N 279.296 -0.613 10 10 CBCE Nc1cc2c(cc1N(CCO)CCCO)NC(=O)CO2 385366431 JKFMESIYNMXJCD-UHFFFAOYSA-N 281.312 -0.219 10 10 CBCE O=C1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCN1 757505382 GYOJNUUHLQCTPL-UHFFFAOYSA-N 292.251 -0.138 10 10 CBCE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1643934223 DTKCHYZWYAVCGV-NXEZZACHSA-N 295.291 -0.225 10 10 CBCE Nc1ccc(CC(=O)NC2(C(=O)O)COC2)cc1 2035956741 XMWICTHQFHIQFT-UHFFFAOYSA-N 250.254 -0.219 10 10 CBCE NC[C@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 2071688699 OFAPMAZKWBQVNU-OIBJUYFYSA-N 250.302 -0.247 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC(O)(C(=O)O)C1 2087723276 UHLDVXUOBLLBEW-UHFFFAOYSA-N 267.237 -0.702 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@@H]2COC[C@@H]21 2158406969 CCJCBYRGDJJBRQ-NRUUGDAUSA-N 279.292 -0.142 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)c(O)c1 2177946415 YQOVXHRNGHKEGG-RCCPXBDUSA-N 283.324 -0.407 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@]1(C(=O)O)C[C@H](O)C1 2193465626 LFEUPSFROUOQHC-KTLJEJPDSA-N 281.264 -0.265 10 10 CBCE N=c1nnc(Nc2ccc(N3CCNCC3)cc2)n[nH]1 2234541883 KQOVDGSEJWPKCR-UHFFFAOYSA-N 272.316 -0.168 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(OC)cc1 47549769 ZTJXOYRXERXIOO-UHFFFAOYSA-N 265.313 -0.006 10 10 CBCE Nc1ccc(OCCNS(=O)(=O)CC(=O)O)cc1 63130562 KRWXXCFVTLHFAO-UHFFFAOYSA-N 274.298 -0.348 10 10 CBCE COC(=O)[C@@]1(c2ccccc2O)COCC(=O)N1 261360041 YRQUZGHZBHYEPZ-LBPRGKRZSA-N 251.238 -0.093 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]1c1nn[nH]n1 720636537 JPPMGWOMGKGUAI-SSDOTTSWSA-N 276.256 -0.017 10 10 CBCE O=C(CCn1cnnn1)NCCc1ccc(O)c(O)c1 1595751377 HSQCTTQUQMWGOX-UHFFFAOYSA-N 277.284 -0.167 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@H](n2ccc(=N)nc2O)[C@@H](O)[C@@H]1F 1614606376 PCPGVUKMIADCCP-BMLSCUAFSA-N 286.223 -0.705 10 10 CBCE O=S(=O)(NCCc1ccc(O)c(O)c1)C1COC1 1923200422 DHFLBNPXXFZPRR-UHFFFAOYSA-N 273.310 -0.042 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@H](O)CF 2032666034 BPOOXRFTNUWIBY-NSHDSACASA-N 255.293 -0.114 10 10 CBCE NC(=O)NC1CN(C(=O)c2cccc(O)c2O)C1 2044812478 KYWRUSUAIDJDJX-UHFFFAOYSA-N 251.242 -0.410 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](F)[C@H](CO)C1 2056985645 MTONARUECCDJPR-JGVFFNPUSA-N 256.233 -0.105 10 10 CBCE O=C(N[C@@H]1CNCC[C@H]1O)c1ccc(O)c(O)c1 2063330470 ZJLZKMXRAICPFT-RKDXNWHRSA-N 252.270 -0.450 10 10 CBCE C[C@H]1O[C@@H](Oc2ccc(N)cc2)[C@H](O)[C@@H](O)[C@@H]1O 2065336351 CITVZWPAGDTXQI-JPXBYFMYSA-N 255.270 -0.525 10 10 CBCE NC(=O)CN(CC(=O)O)Cc1ccc(O)cc1O 2081017513 PCLFBJCNKLSIFR-UHFFFAOYSA-N 254.242 -0.530 10 10 CBCE O=C1NC(=O)[C@]2(CCN(c3ccc(CO)cc3)C2)N1 2114205029 YJFBNGZRCPZRMY-CYBMUJFWSA-N 261.281 -0.033 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2ccc(O)c(O)c2O)C1 2121363296 GYJHDYSVNLMOEM-CBAPKCEASA-N 289.309 -0.949 10 10 CBCE CC1(C)[C@H](O)[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188875336 PVFAKGXKIYOKII-GXSJLCMTSA-N 283.280 -0.240 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2ccc(F)cc2O)C[C@H]1O 2204630776 ZLRUDMHOGJBCDH-YPMHNXCESA-N 285.271 -0.086 10 10 CBCE O=C1Nc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@@H]4O)ccc2[C@@H]1O 2354474676 QCGDYPAUJMUPSJ-XVVYMHKWSA-N 276.292 -0.398 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1ccc(N)cc1 103475765 AUTWUHCUGPLRRL-NEPJUHHUSA-N 277.324 -0.352 10 10 CBCE COCCNS(=O)(=O)NCCOc1ccc(N)cc1 128354741 OFSBDFDNOIEXGS-UHFFFAOYSA-N 289.357 -0.282 10 10 CBCE C[C@@H]1OCC[C@]1(O)CNC(=O)c1cc(O)nc(O)c1 227189386 LSFGJTYSQQTHCF-MADCSZMMSA-N 268.269 -0.238 10 10 CBCE NC1(CNC(=O)c2cc(O)nc(O)c2)CCOCC1 700385393 QPCRJWYIKGQXMA-UHFFFAOYSA-N 267.285 -0.270 10 10 CBCE Nc1ccc(OCC(=O)N2CCC2(CO)CO)cc1 1879987112 PUCDNHWOZFXVPT-UHFFFAOYSA-N 266.297 -0.397 10 10 CBCE Nc1ccc(CC(=O)N2NC(=O)C[C@@H]2C(=O)O)cc1 2088093397 RYEOVFHAZCZKRJ-SECBINFHSA-N 263.253 -0.472 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)c1cn(C)c(=O)n(C)c1=O 2104664759 ZIAWZPTXAOGIIS-UHFFFAOYSA-N 266.261 -0.534 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1 2118083674 JEVWNLUICYTWJF-PJXYFTJBSA-N 280.349 -0.030 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCNC[C@@H](O)C1 2132413649 OVLHOFBGLAPLCU-MRVPVSSYSA-N 268.269 -0.790 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(C)c1 2136342686 OIDMQJDOLFCBFS-RDBSUJKOSA-N 266.341 -0.383 10 10 CBCE NCc1cc(F)c(N2CCOC[C@H]2[C@@H](O)CO)c(F)c1 2146328182 DJQDIQSJGFGLSJ-RYUDHWBXSA-N 288.294 -0.018 10 10 CBCE N[C@H]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[C@H](O)C1 2152800516 DSBTYCGPPUUQKK-JBLDHEPKSA-N 280.324 -0.145 10 10 CBCE NC(=O)C1(NS(=O)(=O)CCOc2ccc(N)cc2)CC1 2159805602 LESFCTDMGGZRQM-UHFFFAOYSA-N 299.352 -0.415 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)Cc1nnn(C)n1 2197877985 WXVULQSUTZXGFI-UHFFFAOYSA-N 275.316 -0.137 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccc(N)cc1 2218660831 AOMXZHRWXUMIFH-FRRDWIJNSA-N 252.314 -0.179 10 10 CBCE NC(=O)CS(=O)(=O)CCCOc1ccc(N)cc1 58262732 TXLFLMGSDNFAND-UHFFFAOYSA-N 272.326 -0.062 10 10 CBCE CCNC(=O)[C@@H]1CNCCN1C(=O)c1cccc(O)c1O 126692624 ZATPPTTZOXEOPS-JTQLQIEISA-N 293.323 -0.352 10 10 CBCE Nc1ccc(O)c(CNC(=O)c2ccc(=O)[nH]n2)c1 236365752 WMBFLKOOWQJOTI-UHFFFAOYSA-N 260.253 -0.012 10 10 CBCE CN(C(=O)CN1CC(C(N)=O)C1)c1ccc(N)cc1 381977956 XUNUAEHWLKWWFA-UHFFFAOYSA-N 262.313 -0.351 10 10 CBCE CS(=O)(=O)NC1CN(c2cc3c(cc2N)OCCO3)C1 703006902 AFEIAUADAVGOIP-UHFFFAOYSA-N 299.352 -0.222 10 10 CBCE CN(C)C[C@@H](CN)NC(=O)c1ccc(O)c(O)c1 716775829 XUJNBXGRXTWUKN-SECBINFHSA-N 253.302 -0.284 10 10 CBCE CCN[C@H]1CCOC[C@@H]1NC(=O)c1cc(O)nc(O)c1 721632842 NQELEHGAWAGHMB-UWVGGRQHSA-N 281.312 -0.010 10 10 CBCE Cn1cnn(CCC(=O)NCc2c(O)cccc2O)c1=O 1597574183 JLFITHWPJQAOHR-UHFFFAOYSA-N 292.295 -0.301 10 10 CBCE [N-]=[N+]=NC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@@H](F)[C@H]1O 1857788403 IKZBULOUWHBODB-PSQAKQOGSA-N 271.208 -0.144 10 10 CBCE C[C@](NCCN=[N+]=[N-])(C(N)=O)[C@H]1CCCS(=O)(=O)C1 1912169256 IULBVFBKGJKZRG-WCBMZHEXSA-N 289.361 -0.045 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)C2[C@H]3CS(=O)(=O)C[C@H]23)C1 2006134819 NZNLMIASGLNOLW-BQBZGAKWSA-N 256.287 -0.202 10 10 CBCE C[C@@H](CS(N)(=O)=O)NC(=O)c1cccc(O)c1O 2035438414 UIDXINXKWUWBFU-LURJTMIESA-N 274.298 -0.495 10 10 CBCE O=C(N[C@@H]1C[C@H](O)C[C@@H]1O)c1cc(O)nc(O)c1 2046405547 JXMYQKGJLMUGGZ-RNJXMRFFSA-N 254.242 -0.893 10 10 CBCE NC[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 2096839790 JCAOWCKNYOUCAC-JTQLQIEISA-N 266.297 -0.174 10 10 CBCE NCC1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 2144028668 DQYZMXJDXXLCDX-UHFFFAOYSA-N 280.324 -0.048 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCOC[C@@H]1[C@H](O)CO 2146324022 RASVWNPQWOSRNN-BXKDBHETSA-N 283.280 -0.708 10 10 CBCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O)c1cccc(O)c1O 2166416109 MEAHLTUNPJZFSW-PMTMLCAPSA-N 279.292 -0.042 10 10 CBCE NC[C@@]12CN(C(=O)c3cc(O)nc(O)c3)C[C@H]1CCO2 2175177191 RMJQMBNHRLBCOC-NOZJJQNGSA-N 279.296 -0.317 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCO[C@@H]3CNC[C@H]32)cc1 2191785024 UZMJJDIKXRWNQZ-CHWSQXEVSA-N 297.380 -0.229 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2CNCC[C@@H]2O)cc1 2191899232 UQCOCPTWTZXTNT-STQMWFEESA-N 279.340 -0.123 10 10 CBCE CN(C(=O)c1c[nH]nc1CCN)c1ccc(=O)n(C)c1 2235319987 TWFNINUHDKMJHU-UHFFFAOYSA-N 275.312 -0.114 10 10 CBCE CNCc1cc(OC)ccc1N1CC[C@](O)(C(N)=O)C1 2235970106 LZNJJFVYLVLMFT-CQSZACIVSA-N 279.340 -0.159 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)[C@H](O)C2)cc1 2328968880 MWXZIPSZSBCPOM-CYZMBNFOSA-N 268.313 -0.954 10 10 CBCE CN(C)S(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 35366580 JXFINEVJCBZURR-UHFFFAOYSA-N 286.357 -0.638 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1C(=O)COCC1=O 41071468 RFXYVNIORXOIST-QMMMGPOBSA-N 295.247 -0.521 10 10 CBCE N[C@@H](CCC(=O)NCc1ccc(O)cc1O)C(=O)O 83496860 CALNRLNDXKBPJU-VIFPVBQESA-N 268.269 -0.094 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)NCCCN=[N+]=[N-] 383471046 PNEMEBDASQJWBL-UHFFFAOYSA-N 264.311 -0.801 10 10 CBCE O=C1NC(=O)[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]12 388120177 KHIMJIIOAKHLDV-OCAPTIKFSA-N 276.248 -0.558 10 10 CBCE CC[C@@H](N)c1ccc(N(CC(N)=O)CC(N)=O)cc1 723163591 HWASYKSOVMLMEW-LLVKDONJSA-N 264.329 -0.127 10 10 CBCE [N-]=[N+]=NCCCNS(=O)(=O)C1CS(=O)(=O)C1 1912182363 ARFGQNDMMLVEKO-UHFFFAOYSA-N 268.320 -0.597 10 10 CBCE C[C@](O)(CCO)CNC(=O)c1cc(O)nc(O)c1 2045283229 QCDSNZAJTJTACC-NSHDSACASA-N 256.258 -0.644 10 10 CBCE O=C(NC[C@H](O)c1cnc[nH]1)c1cc(O)nc(O)c1 2088643538 IKNZNRRBVFEAJE-QMMMGPOBSA-N 264.241 -0.321 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 2089921092 YSKBDJSXBOPJSB-RKDXNWHRSA-N 267.285 -0.760 10 10 CBCE N[C@H]1C[C@H](O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132412255 BJFKBDIIPPARMB-YUMQZZPRSA-N 268.269 -0.663 10 10 CBCE Cc1cccc(O)c1CN1C[C@H](O)[C@@H](O)[C@@H]1C(=O)O 2136103951 UPCOINPILUQOOD-QJPTWQEYSA-N 267.281 -0.309 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CCC[C@H]2O 2184690973 IYRUHBLFODUYKG-GFCCVEGCSA-N 277.324 -0.167 10 10 CBCE CN1CCN(C(=O)C2=C[C@H](O)[C@H](N)C2)c2cnccc21 2188033405 UIJPFWKXNQSQTK-MFKMUULPSA-N 274.324 -0.117 10 10 CBCE O=C(N[C@H](C(=O)O)C1COC1)c1cc(O)c(O)c(O)c1 2188868334 PMDSWFMXLVXDAH-VIFPVBQESA-N 283.236 -0.367 10 10 CBCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CS(=O)(=O)C1 2218746370 PZEVXKDHYKHONN-SFYZADRCSA-N 294.358 -0.066 10 10 CBCE O=C(CN1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O)c1ccc(O)c(O)c1 2354470909 GHLUFRWNJBHGSE-QYAIJTBZSA-N 279.292 -0.294 10 10 CBCE CN(CC(=O)N1CCNCC1)Cc1ccc(O)cc1O 38031079 VTOYKUFOXURQIG-UHFFFAOYSA-N 279.340 -0.039 10 10 CBCE Nc1nonc1C(=O)NCc1ccc(O)c(O)c1 83382059 ZWWYDOWSSAIODC-UHFFFAOYSA-N 250.214 -0.007 10 10 CBCE NC(=O)[C@@]1(O)CCN(CC(=O)c2ccc(O)c(O)c2)C1 380101879 NHDQFZOQFCSBAS-CYBMUJFWSA-N 280.280 -0.797 10 10 CBCE CNC(=O)C1CN(CC(=O)c2ccc(O)c(O)c2)C1 382060415 DQHLXYQIJZQYCY-UHFFFAOYSA-N 264.281 -0.042 10 10 CBCE C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(O)nc(O)c1 393325213 KSZFZULFBVJLPK-SVRRBLITSA-N 265.269 -0.110 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2CONC2=O)cc1 393808543 ZJXGRYWFKJPNBX-SNVBAGLBSA-N 265.269 -0.416 10 10 CBCE C[C@@H]1CN(C[C@@H](O)COc2ccc(N)cc2)CC(=O)N1 395682810 ASWRRLSDGRFVGF-ZYHUDNBSSA-N 279.340 -0.171 10 10 CBCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)CSC1=S 1860075679 PGMIMHTWYVVMFH-BYPYZUCNSA-N 262.312 -0.435 10 10 CBCE C[C@H](Oc1ccc(N)cc1)C(=O)NCC(=O)NCC(=O)O 1860082640 QCDZPWFODCVTDG-QMMMGPOBSA-N 295.295 -0.647 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@H](CO)[C@@H](N)C2)cc1 1876495322 NRIWJFUHJHGJCR-YPMHNXCESA-N 263.341 -0.021 10 10 CBCE O=C1C[C@@H](c2ccc(O)c(O)c2O)[C@@H](C(=O)O)N1 1951958296 YCMDPQNKYADGBB-XNCJUZBTSA-N 253.210 -0.140 10 10 CBCE CS(=O)(=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 2034840333 XRYDWWTYWQDLPM-UHFFFAOYSA-N 271.294 -0.033 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2104425624 QTAQWLFZDVWXKQ-MWQHPAIMSA-N 262.309 -0.236 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)C[C@H](O)C2)cc1 2105109943 DOFVIEICTSAKBV-QWRGUYRKSA-N 266.297 -0.398 10 10 CBCE O=C(CN1CC[C@@H](O)[C@@H](O)C1)c1ccc(O)c(O)c1 2132117715 YGBHXPBPBRHGKI-MFKMUULPSA-N 267.281 -0.292 10 10 CBCE Cn1ncnc1CNC(=O)c1cc(O)c(O)c(O)c1 2132348976 WGONGLHCZALUPL-UHFFFAOYSA-N 264.241 -0.138 10 10 CBCE NC(=O)[C@H]1C[C@H](N)CN(C(=O)Nc2ccc(N)cc2)C1 2191534484 AXCWQTJSKAQHNM-WPRPVWTQSA-N 277.328 -0.065 10 10 CBCE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccc(O)c(C)c1 2270513521 GNXFBXGXZDJQKD-SECBINFHSA-N 288.325 -0.057 10 10 CBCE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccc(O)cc1C 2270520986 KXSARLZHKKEQEY-SECBINFHSA-N 288.325 -0.057 10 10 CBCE O=S(=O)(CCO)CCNCc1ccc(O)c(O)c1 2314180612 DCRNFVOKRYREOQ-UHFFFAOYSA-N 275.326 -0.406 10 10 CBCE N[C@@H](c1nnc([C@@H](O)CO)o1)c1cccc(F)c1O 83512426 NTNRGUNKCLCATQ-JGVFFNPUSA-N 269.232 -0.012 10 10 CBCE C[C@H](CNC(=O)CCc1ccc(N)cc1)S(N)(=O)=O 398239911 OFNFUXCEMOYJJU-SECBINFHSA-N 285.369 -0.005 10 10 CBCE NC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(N)cc2)C1 690736437 ZPDDUQPPVJLKGK-NSHDSACASA-N 277.328 -0.050 10 10 CBCE O=C(NCc1c(O)cccc1O)[C@H]1CCS(=O)(=O)N1 1558535598 KURFNWLPWNIQAJ-MRVPVSSYSA-N 286.309 -0.594 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@H]1O)c1c(O)cccc1O 2108833797 ZKCFLIMAFMQIHQ-RHKXMLDKSA-N 269.297 -0.397 10 10 CBCE CO[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1N 2122510074 NDHBVSNKADJJJE-SKDRFNHKSA-N 266.297 -0.175 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@](CO)(C(=O)O)C1 2159949469 KYZUGJDBUKUTEN-LBPRGKRZSA-N 282.252 -0.598 10 10 CBCE COc1ccc(N(CC(N)=O)CC(N)=O)c(C=O)c1 2227688386 QBGLKCQMXTZORU-UHFFFAOYSA-N 265.269 -0.715 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C1)[C@H]2O 2258329269 QLQRMLYVOTUMTQ-AKZRSSKFSA-N 250.254 -0.054 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1F 2312394407 MWOKXSCOOMYUQC-FOGDFJRCSA-N 257.261 -0.263 10 10 CBCE CN(NS(=O)(=O)Cc1ccc(N)cc1)S(C)(=O)=O 2317493436 CCGGXJGJAPACKP-UHFFFAOYSA-N 293.370 -0.505 10 10 CBCE O=C1CC[C@H](NCc2cccc(O)c2O)C(=O)N1 89754661 YCRBQKKEBTUQBC-QMMMGPOBSA-N 250.254 -0.007 10 10 CBCE CN1C[C@@H](NCc2ccc(O)c(O)c2O)C(=O)N1 393893405 AEDHFTHTOONERW-SSDOTTSWSA-N 253.258 -0.762 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOCC12CNC2 2111333233 HFSIFRFITBPWAJ-UHFFFAOYSA-N 264.281 -0.088 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1[C@H](C)O 2269678639 VWXBXZGEZXECBI-NZPIUUIZSA-N 267.325 -0.049 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2332923680 WWJRKRQZXZFUBZ-UPJWGTAASA-N 286.759 -0.038 10 10 CBCE Cn1cc([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O 6072376 UTJZDXBVQJNTHL-XLPZGREQSA-N 267.245 -0.425 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC(=O)NC(=O)C3)ccc21 97268956 GIQJIQOEQGUCBL-LBPRGKRZSA-N 274.280 -0.638 10 10 CBCE CN1C(=O)C[C@H](NCc2cccc(O)c2O)C1=O 115261338 GAYPKCONCVTZRQ-QMMMGPOBSA-N 250.254 -0.055 10 10 CBCE Cn1[nH]c(CNS(=O)(=O)Cc2ccc(N)cc2)cc1=O 391366897 QWOGZXIWIPQLPJ-UHFFFAOYSA-N 296.352 -0.085 10 10 CBCE CC(=O)C(=O)COC(=O)COc1ccccc1C(N)=O 808498469 OWEYADBCFCGUJP-UHFFFAOYSA-N 279.248 -0.134 10 10 CBCE COC(=O)C1(O)CN(C(=O)c2c(F)ccc(O)c2O)C1 1161747605 IVYHYCWJXXZHHW-UHFFFAOYSA-N 285.227 -0.403 10 10 CBCE O=C(NCc1nc(CO)n[nH]1)c1cc(O)cs1 1585256959 PNMNDLJCBYPOCX-UHFFFAOYSA-N 254.271 -0.006 10 10 CBCE CS(=O)(=O)CCNC(=O)Cc1ccc(O)c(O)c1 1626377317 SBKISPKRBUTMQT-UHFFFAOYSA-N 273.310 -0.199 10 10 CBCE O=C1CN(CC(=O)NCc2c(O)cccc2O)CCN1 1652629182 ZKENJEUSNFDHIE-UHFFFAOYSA-N 279.296 -0.854 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2C[C@H]2N)cc1 1876406534 QATJWIALUJYYRZ-JOYOIKCWSA-N 285.369 -0.086 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2136288296 UXYGLOCUHWZVEZ-FFAVSVRISA-N 271.288 -0.218 10 10 CBCE N[C@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CO)ccc21 2136339843 MXHQAZNGNXEFLP-RFQIPJPRSA-N 264.325 -0.465 10 10 CBCE CC1(C)[C@H](O)[C@@H](O)CN1C(=O)COc1ccc(N)cc1 2181206056 HBGDXTHAGQKGHU-WCQYABFASA-N 280.324 -0.010 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1c(F)cc(CO)cc1F 2184130149 DCEQWFRDNVIVQN-JTQLQIEISA-N 285.250 -0.753 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](O)CC3)ccc2[C@H]1O 2284540477 BZJJIIABPJCXGA-RWMBFGLXSA-N 278.308 -0.006 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)ccc21 2356889273 RDLIAABHEBBKIG-FRRDWIJNSA-N 277.324 -0.169 10 10 CBCE O=C(O)Cn1cc(CNC(=O)c2cc(O)nc(O)c2)nn1 167228220 MNFNZXDUCUEFCN-UHFFFAOYSA-N 293.239 -0.901 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1[C@H](C)C(=O)Nc1ccc(N)cc1 228021044 WXOJNKSSSPGANR-BDAKNGLRSA-N 290.323 -0.057 10 10 CBCE CN1C[C@H](NC(=O)c2ccc(O)c(O)c2)C(=O)N1 393934950 PWGOKXNAFNDHCQ-ZETCQYMHSA-N 251.242 -0.827 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCO[C@@H]2CNC[C@@H]21 686540702 HGDXEXXPOSKMMR-JOYOIKCWSA-N 264.281 -0.089 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2cc(F)cc(F)c2O)C1 895675946 IQFMXCYMBVGBIL-NXEZZACHSA-N 293.291 -0.082 10 10 CBCE NC(=O)N[C@H](CO)C(=O)NCc1ccccc1O 1465990549 NMPJVVSWPHOGJI-MRVPVSSYSA-N 253.258 -0.962 10 10 CBCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC=C(N)N2)c1 1639035250 HRSUAVCRKNGUAZ-UHFFFAOYSA-N 298.324 -0.476 10 10 CBCE OCC(O)(CO)CN[C@@H]1CCc2cccc(O)c21 1913786279 JMRJOHXHQGVLEJ-SNVBAGLBSA-N 253.298 -0.315 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@H]3C[C@@H](O)C3)c2n1 2062189226 PLXGPYDBPAPATR-OCAPTIKFSA-N 262.269 -0.004 10 10 CBCE C[C@H](O)[C@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2068576518 JJCUZWUWHGSGLI-FSPLSTOPSA-N 257.242 -0.725 10 10 CBCE Oc1cc(F)ccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2084168306 LDAGIQMYUBIIEX-KLHWPWHYSA-N 257.261 -0.524 10 10 CBCE Nc1ccc(CNC(=O)[C@@H]2CN3CCN2CC3)cc1 2099562945 BCXLINXZCRZNFF-ZDUSSCGKSA-N 260.341 -0.115 10 10 CBCE C[C@H](O)c1cc(F)c(N(CC(N)=O)CC(N)=O)c(F)c1 2194509306 HGSYNDDWZNEWAE-LURJTMIESA-N 287.266 -0.205 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1O 2201032877 JPXIEBOWHAGHNF-SCLYENHESA-N 282.340 -0.425 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)Nc1ccc(O)c(N)c1 2220563424 JVMOXVMBMBXXMQ-UHFFFAOYSA-N 294.354 -0.239 10 10 CBCE O=S1(=O)CC(O)(CNCc2ccc(O)c(O)c2)C1 2256072373 FORMMJKOXBTMLU-UHFFFAOYSA-N 273.310 -0.653 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COCC[C@H]2O)cc1 710856470 JXMPQLIENBMYOB-VXGBXAGGSA-N 286.353 -0.162 10 10 CBCE NC(=O)N1CCN(C(=O)COc2ccc(N)cc2)CC1 721693044 JTEYYYVBBUODKK-UHFFFAOYSA-N 278.312 -0.130 10 10 CBCE C[C@@H](N)c1ccc(N(CC(N)=O)CC(N)=O)cc1O 723167395 PHQORFVJHDMUAS-SSDOTTSWSA-N 266.301 -0.811 10 10 CBCE NC(=O)[C@@H]1CC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)O1 1294932524 LYBHKFNLRYRRBD-SKDRFNHKSA-N 294.307 -0.211 10 10 CBCE COCC(=O)NCCC(=O)NCc1cccc(O)c1O 1455320937 VQNATWYQUNFDMB-UHFFFAOYSA-N 282.296 -0.133 10 10 CBCE C[C@H](NC(=O)[C@@H](CO)NC(N)=O)c1ccccc1O 1643744771 BQTUQQZOLJGENA-IONNQARKSA-N 267.285 -0.401 10 10 CBCE NC[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876465747 KAELWPDFYZUNDI-JQWIXIFHSA-N 285.369 -0.338 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2COCCN2)cc1 1876525124 HWZXKTMXYXVBJZ-NSHDSACASA-N 265.313 -0.248 10 10 CBCE O=C1C[C@H](c2ccc(O)c(O)c2)[C@H](C(=O)O)C(=O)N1 1951735227 OWHABIJQECRISC-LDWIPMOCSA-N 265.221 -0.071 10 10 CBCE Oc1cc(Cl)ccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046513977 KBCHFBSUTTUXGF-QTKMDUPCSA-N 273.716 -0.010 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1 2174706336 SGFBVUYDZSIYIY-PJXYFTJBSA-N 296.348 -0.193 10 10 CBCE O=C([C@H]1CNc2ccccc2N1)N1C[C@H](O)C[C@@H](O)C1 2183267079 ITOOEZXQHZYDJN-GIPNMCIBSA-N 277.324 -0.153 10 10 CBCE O=C(N[C@H]1CNCC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2188920849 YWLUHAQAOFSSBA-APPZFPTMSA-N 282.296 -0.496 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC2(O)CCNCC2)cc1 2191693475 DELPEIFDFNISDA-UHFFFAOYSA-N 299.396 -0.197 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H](O)[C@@H](O)[C@@H]2CF)c1 2311998248 ASSBYMAIVBFAQA-WCQGTBRESA-N 256.277 -0.150 10 10 CBCE Nc1ccc(CS(=O)(=O)NCc2nnn[nH]2)cc1 44887541 PAJRZJRGVAZKSX-UHFFFAOYSA-N 268.302 -0.599 10 10 CBCE Nc1ccc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc1 110523872 VTFJNIMDHXGYKW-UHFFFAOYSA-N 278.243 -0.103 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)COc1ccc(N)cc1 227201327 JGJQWZXYJNKCRS-JTQLQIEISA-N 268.269 -0.702 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 317512185 UXRGMMHNTKNKOA-BXKDBHETSA-N 266.297 -0.541 10 10 CBCE NC(=O)[C@H]1CN(CCc2ccc(N)cc2)C[C@@H]1C(N)=O 693429617 SNQFSBGUGMRNRP-RYUDHWBXSA-N 276.340 -0.670 10 10 CBCE CNC(=O)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723151037 QQDVYHFTJFBMGB-LLVKDONJSA-N 260.297 -0.179 10 10 CBCE Cc1cccc(CN2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)c1O 1974194592 RVXMHFSKLZPUGB-PHIMTYICSA-N 275.308 -0.501 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1OC 2084013072 ZAKJXXVSSGOWOC-TXEJJXNPSA-N 252.314 -0.044 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COC[C@H]2CO)cc1 2090326142 UWMYRALLCLPNHA-PWSUYJOCSA-N 286.353 -0.305 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1COC[C@H]1O 2097833668 FDTKCEKTGVVQKM-BXKDBHETSA-N 267.281 -0.236 10 10 CBCE COc1cccc(CN[C@H]2CS(=O)(=O)C[C@H]2O)c1O 2121364269 NKNWJXVSZXEOAS-VHSXEESVSA-N 287.337 -0.352 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1ccc(O)c(O)c1 2142489989 IKKWHSBRLYEFJZ-CABZTGNLSA-N 287.337 -0.001 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@@H](O)C1)CCC(=O)N2 2191594192 KAKNUXFKNJZDGW-SNVBAGLBSA-N 276.340 -0.076 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2205613038 OQGVGKCJZONNPD-NTZNESFSSA-N 284.287 -0.450 10 10 CBCE CN(CCOc1nnc(=N)[nH]n1)C(=O)OC(C)(C)C 2209011342 LWCDJGPKLORKPS-UHFFFAOYSA-N 270.293 -0.075 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CO)cc1F 2225519043 PDKFHORGVIYIBG-UPJWGTAASA-N 271.288 -0.125 10 10 CBCE CN1CCc2cc(N3CC4(C3)OC[C@H](O)[C@@H]4O)ccc21 2235126653 JLTLWCIIQMHWJQ-KBPBESRZSA-N 276.336 -0.010 10 10 CBCE CN1CCOC[C@@H]1Cn1ccc2c(c1=O)CNCC2 2267893022 IXRQDZKDCLMIJC-LBPRGKRZSA-N 263.341 -0.175 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(N)c1 2273712813 ZAHYQFTUAJJUAX-HJIKLVIJSA-N 268.313 -0.572 10 10 CBCE NC(=O)c1nc(CNC(=O)c2cccc(O)c2O)no1 2285661248 STDUPUOMDNNGFU-UHFFFAOYSA-N 278.224 -0.490 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC([C@@H](O)CO)C1 2315160481 BIZPBBYFHNKJBF-NSHDSACASA-N 253.254 -0.477 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1 2333237660 PRNOCXIDIYHPLW-LOWVWBTDSA-N 268.288 -0.287 10 10 CBCE NC(=O)[C@@H]1COCCN1c1cc2c(cc1N)OCC(=O)N2 158791190 HZOYQFYSMAUSSZ-JTQLQIEISA-N 292.295 -0.710 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 216599934 FZCVHZCDJWBJOH-MNOVXSKESA-N 299.352 -0.981 10 10 CBCE NS(=O)(=O)CCCNC(=O)c1ccc(O)c(O)c1 227020910 MAZMPCDIGVBZNE-UHFFFAOYSA-N 274.298 -0.494 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCOC[C@@H](O)C2)cc1 399901997 AYYGXOLAGLWQGA-LBPRGKRZSA-N 286.353 -0.208 10 10 CBCE CO[C@@]1(CO)CCN(C(=O)c2cc(O)nc(O)c2)C1 401873610 MAZVWVMCOWDCKF-LBPRGKRZSA-N 268.269 -0.284 10 10 CBCE [N-]=[N+]=NCCNC(=O)CCS(=O)(=O)N1CCOCC1 706390960 ZJVCEKMPZUZAHH-UHFFFAOYSA-N 291.333 -0.535 10 10 CBCE CC(=O)C(=O)COC(=O)C(=O)N1CCC(C)CC1 808548523 FBRAWSLNXMJSSQ-UHFFFAOYSA-N 255.270 -0.054 10 10 CBCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(O)c(O)c1 1465955587 ZGDVTZJZTXISFB-JTQLQIEISA-N 255.270 -0.154 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)N2CC[C@H](O)C2)C1 1912172004 QOBVTPDFHJKUNE-SFYZADRCSA-N 261.307 -0.318 10 10 CBCE Nc1ccc(CN2C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C2=O)cc1 1924759321 QJZFWKMCJHNMCK-QWRGUYRKSA-N 294.332 -0.202 10 10 CBCE COC1(C(N)=O)CN(c2ccc(CN)c(F)c2)C1 2042981599 VRPTWZNUTJOWPS-UHFFFAOYSA-N 253.277 -0.025 10 10 CBCE CO[C@@H]1COC[C@@H]1NC(=O)c1cnn2c(O)cc(C)nc12 2064349000 BFFXVRVLWXXQSU-VHSXEESVSA-N 292.295 -0.113 10 10 CBCE Nc1ccc(OCCC(=O)NCC[C@@H](O)CO)cc1 2125838098 ZSXZHQSBZUTALE-LLVKDONJSA-N 268.313 -0.103 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COC[C@@H]1C(=O)O 2144030574 PUHWKDCYIYWHNG-IUCAKERBSA-N 281.264 -0.144 10 10 CBCE CN(CCS(=O)(=O)CCC(N)=O)Cc1ccc(N)cc1 2148889300 PDSLXBSGPZYMNQ-UHFFFAOYSA-N 299.396 -0.009 10 10 CBCE N[C@H]1C[C@@H]2CN(Cc3ccc(O)cc3O)CCN2C1=O 2173417530 BRQVZPLAPQDFQO-PWSUYJOCSA-N 277.324 -0.158 10 10 CBCE COc1ccc(N2CCOC[C@H]2C(N)=O)c(CN)c1 2227679071 DPVWUMYAVUKDQI-LBPRGKRZSA-N 265.313 -0.156 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)Nc1ccc(N)cc1 2233874570 XTEOAXWLHIPXAT-UTUOFQBUSA-N 281.312 -0.147 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC(O)(CCO)C3)ccc21 2270657848 ZCSZRVYXCRJBRY-LLVKDONJSA-N 263.297 -0.428 10 10 CBCE Nc1ccc(OCCC(=O)N2CC(O)(CCO)C2)cc1 2286211003 NNFIHOQPFPESAQ-UHFFFAOYSA-N 280.324 -0.007 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)O)cc1 40470511 RFDBYMDNDQLLQY-MNOVXSKESA-N 264.281 -0.142 10 10 CBCE O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc(O)cc1O 86815306 PTKCLJADCAQIOL-JTQLQIEISA-N 280.280 -0.127 10 10 CBCE COC(=O)[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1136109781 MHMNIGWKHYUQMU-MRVPVSSYSA-N 269.253 -0.710 10 10 CBCE COC(=O)[C@@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1558104644 NCQMAMBRVHWPQD-CQSZACIVSA-N 295.291 -0.223 10 10 CBCE Cn1cc(C(=O)NCc2ccc(O)cc2O)c(O)nc1=O 1639441382 SGRRWUMDLXKMSX-UHFFFAOYSA-N 291.263 -0.173 10 10 CBCE Nc1cc2c(cc1N1C[C@H]3[C@H](N)[C@H]3C1)NC(=O)CO2 1876188235 KMRSLZCFYLBSAJ-SHRKTGAESA-N 260.297 -0.007 10 10 CBCE CC1(C(N)=O)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 1914212765 UTSZLEAJAXFWIW-SNVBAGLBSA-N 260.297 -0.050 10 10 CBCE NC(=O)C1(N)CN(c2ccc3c(c2)OCCCO3)C1 2109485697 OYXMDUUQOCFFAM-UHFFFAOYSA-N 263.297 -0.149 10 10 CBCE NC(=O)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132350137 KXHOJXUMQZEGHQ-LURJTMIESA-N 266.253 -0.249 10 10 CBCE CO[C@@](C)(CN)CNC(=O)c1cc(O)c(O)c(O)c1 2132412622 FTJZSPUPWKJBHB-LBPRGKRZSA-N 270.285 -0.103 10 10 CBCE CCN[C@H]1COCCN(C(=O)c2cc(O)nc(O)c2)C1 2152188916 JYVREIKQBFINAC-SNVBAGLBSA-N 281.312 -0.057 10 10 CBCE Nc1ccc(OCC(=O)N2CCC[C@@H]2[C@H](O)CO)cc1 2179804420 RRVIQHJCYFHIQG-CHWSQXEVSA-N 280.324 -0.008 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@]1(O)CCNC[C@@H]1O 2197490820 SEJLBTQZDLHRRQ-GXTWGEPZSA-N 280.324 -0.564 10 10 CBCE COc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(CN)c1 2227671541 AFZZRRBOLNDHPE-ZDUSSCGKSA-N 265.313 -0.420 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)N(C)CCCN=[N+]=[N-] 2236148660 WOWSPNGJZAEUIN-VIFPVBQESA-N 284.320 -0.085 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1F 2289486495 WYECXQDKASDBLX-DFAYQTQMSA-N 288.294 -0.426 10 10 CBCE C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 40471860 MBIIUMDOQSMHKJ-SVRRBLITSA-N 268.269 -0.443 10 10 CBCE COc1cccc(CNC(=O)C[C@@H](N)C(=O)O)c1O 83496845 HDUSYFNFGWSRSJ-MRVPVSSYSA-N 268.269 -0.181 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCO[C@H](CO)C2)cc1 167020049 AJLZWUQJFGKAMR-JSGCOSHPSA-N 282.340 -0.298 10 10 CBCE O=C1COc2cc([N+](=O)[O-])c(N3C[C@H](O)[C@H](O)C3)cc2N1 236555467 JPASZEOJONHKJS-AOOOYVTPSA-N 295.251 -0.533 10 10 CBCE C[C@@H](C(N)=O)N(C)C(=O)COc1ccc(N)cc1 711069607 LVMLRQYLESTVOK-QMMMGPOBSA-N 251.286 -0.020 10 10 CBCE CN(c1ccc(CN)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 2038055566 AMHJSIGIRKRJJB-RYUDHWBXSA-N 270.354 -0.261 10 10 CBCE O=S1(=O)CC2(CN1)CN(c1ccc(CO)cc1)C2 2055997543 RSWFQSNIJPRNQV-UHFFFAOYSA-N 268.338 -0.082 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O)c1cc(O)ccc1O 2108831328 LOQOQSMXDWOFFD-WZJGZQACSA-N 269.297 -0.397 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c(O)c1 2108832878 SFDLLNQIZHBATQ-IXOXFDKPSA-N 269.297 -0.655 10 10 CBCE NCCO[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2112683496 MUAQBPSZMRETHM-SECBINFHSA-N 267.285 -0.317 10 10 CBCE O=C(N[C@H]1CNCC[C@@H]1CO)c1ccc(O)c(O)c1 2116269395 MXOPIFTWDFTBRZ-ZJUUUORDSA-N 266.297 -0.202 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@]2(CO)C[C@]2(CO)C1 2146320000 IYQIFTDHGQWLHT-OKILXGFUSA-N 279.292 -0.085 10 10 CBCE O=C(N[C@@H]1COCC[C@H]1C(=O)O)c1cc(O)nc(O)c1 2159038522 XFHWMUUWLMUTBN-HTQZYQBOSA-N 282.252 -0.288 10 10 CBCE O=C(NCC[C@@H]1COC[C@H]1O)c1cc(O)c(O)c(O)c1 2188867601 DDBIIDOQSKMSHQ-RDDDGLTNSA-N 283.280 -0.069 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1nc(O)n[nH]1 2199525947 UXBAXLKDLUCSOF-LURJTMIESA-N 279.256 -0.570 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CN)c(F)c1 2225701116 OKQOTHSLFKPTPL-UPJWGTAASA-N 270.304 -0.159 10 10 CBCE COc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(CO)c1 2236003043 PJDNJOJPXKBDEG-KGLIPLIRSA-N 283.324 -0.254 10 10 CBCE O=C(NCCO[C@@H]1CCCNC1)c1cc(O)nc(O)c1 2289913592 LZDJERGYXWWEAF-SNVBAGLBSA-N 281.312 -0.009 10 10 CBCE C[C@H](O)[C@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341151801 HFALUYNRUCSXMI-MADCSZMMSA-N 266.297 -0.309 10 10 CBCE COc1cccc(CNC(=O)[C@H](N)CC(=O)O)c1O 83496844 ZOTKYKWEVGXZIP-MRVPVSSYSA-N 268.269 -0.181 10 10 CBCE O=C(CN1CCN2C(=O)NC[C@H]2C1)c1ccc(O)c(O)c1 91754296 ROSAVCXLKZGMHQ-JTQLQIEISA-N 291.307 -0.010 10 10 CBCE C[C@H](O)CN(CCO)CC(=O)c1ccc(O)c(O)c1 382475598 CSQZRISHQZOWDF-VIFPVBQESA-N 269.297 -0.044 10 10 CBCE NC(=O)[C@@H]1CN(Cc2ccccc2O)C[C@@H]1C(N)=O 693455496 TZHWLAPMHUHVES-AOOOYVTPSA-N 263.297 -0.589 10 10 CBCE N[C@@H]1COCC[C@@H]1NC(=O)c1cccc(O)c1O 707049706 RRHDFXATPZGKTD-BDAKNGLRSA-N 252.270 -0.056 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H](NCCO)C1 708578534 QAUARDCMMJXDSS-SNVBAGLBSA-N 281.312 -0.321 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1COC[C@@H]1O 708747622 MKCQXFYQAVHBDW-YUMQZZPRSA-N 254.242 -0.676 10 10 CBCE CCOC(=O)[C@@H](N)C(=O)NCc1ccc(OC)cc1O 852889882 GLPSKAKARPDQKT-NSHDSACASA-N 282.296 -0.093 10 10 CBCE Oc1c(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)ccc(F)c1F 2108831343 VYGMLASLACCNKV-UFGYURQFSA-N 275.251 -0.385 10 10 CBCE O=C(NCC1[C@@H]2CNC[C@@H]12)c1cc(O)c(O)c(O)c1 2132399706 HSYXDGOVOJJEAE-HTQZYQBOSA-N 264.281 -0.001 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2136288304 UXYGLOCUHWZVEZ-HPXOCHMKSA-N 271.288 -0.218 10 10 CBCE O=C(C[C@@]1(O)CCNC1)NCCc1ccc(O)c(O)c1 2160907049 NNCVSOXLXOZSHX-AWEZNQCLSA-N 280.324 -0.129 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@]1(CO)C(=O)O 2168650056 KBHBNVVPTOVBIF-GFCCVEGCSA-N 282.252 -0.456 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(F)c1F 2183628278 XKHFYSOFEXPWKV-SKDRFNHKSA-N 286.278 -0.266 10 10 CBCE NC(=O)[C@@H]1COCCN1c1ccc(CO)c([N+](=O)[O-])c1 2188574594 UFQTZYHHJASGMZ-NSHDSACASA-N 281.268 -0.222 10 10 CBCE C[C@@]1(O)CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1O 2201529714 UURFIRWLJJWMIP-ZWNOBZJWSA-N 283.280 -0.239 10 10 CBCE O=C(N[C@@H]1CCC[C@@H](O)[C@H]1O)c1cc(O)nc(O)c1 2224348348 LQBNOPLCFSMHKP-XLDPMVHQSA-N 268.269 -0.503 10 10 CBCE Cc1cc(CO)ccc1N1CC[C@@](O)(CO)[C@@H](O)C1 2225730046 ZCZFXEPYCGUQDJ-UONOGXRCSA-N 267.325 -0.218 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H]3[C@@H](O)CO)cc21 2286214239 OXLRJVOAZCKMPR-KGYLQXTDSA-N 277.324 -0.405 10 10 CBCE NC(=O)[C@H]1COCCN1c1cc2c(cc1N)OCC(=O)N2 158791055 HZOYQFYSMAUSSZ-SNVBAGLBSA-N 292.295 -0.710 10 10 CBCE O=C(NCc1ccccc1O)c1nnc(O)nc1O 1636058388 ZVYHMTOIBFMIES-UHFFFAOYSA-N 262.225 -0.082 10 10 CBCE CC[C@@H](CO)NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878974 QOFQAKUOBCPJOY-VIFPVBQESA-N 276.300 -0.255 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@@H](O)[C@H]2C1 2033976315 CLHPNKKNWJQJPU-XHNCKOQMSA-N 250.254 -0.054 10 10 CBCE C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H](O)C(=O)O 2056747209 WDLFPOKNGVAZIP-CPCISQLKSA-N 252.270 -0.239 10 10 CBCE Nc1ccc(N2CCS(=O)(=O)CC23CNC3)cc1 2071744252 PTTMHYMBYUVJCK-UHFFFAOYSA-N 267.354 -0.154 10 10 CBCE NS(=O)(=O)NCCCNCc1ccc2c(c1)CCO2 2101324009 JTBFPRPGSUIXKP-UHFFFAOYSA-N 285.369 -0.106 10 10 CBCE CO[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2132348145 FPFMKYUQIRACFM-QMMMGPOBSA-N 271.225 -0.367 10 10 CBCE O[C@H]1COC2(CN(c3ccc4c(c3)CCO4)C2)[C@H]1O 2226753446 WFJSHAIQNIMQCT-AAEUAGOBSA-N 263.293 -0.068 10 10 CBCE Cc1cc([C@H](C)N)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CO 2333977457 QSTXXHLHNVGECQ-VKKKGTNTSA-N 266.341 -0.083 10 10 CBCE C[C@](O)(CO)CNCc1cc2c(cc1O)OCO2 90287133 RYOAHEQJCCMXPW-GFCCVEGCSA-N 255.270 -0.046 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)[C@@H]1COC[C@H]1O 708620819 VZXJOUKLHAXAQW-UTUOFQBUSA-N 264.281 -0.132 10 10 CBCE NC(=O)CC1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723173860 RDQPHSHQNOBOOI-GFCCVEGCSA-N 260.297 -0.050 10 10 CBCE COCC1(NC(=O)c2ccc(O)c(O)c2)CNC1 2070576570 NBBNNRXQTBIWHX-UHFFFAOYSA-N 252.270 -0.184 10 10 CBCE C[C@@H]1CNC(=O)CN1c1ccc2c(c1)NC(=O)[C@H]2O 2124757795 AOLFCMQZZXKAIM-KRTXAFLBSA-N 261.281 -0.003 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1CS(=O)(=O)C1 2132407108 NALFFVPAMAIZOS-UHFFFAOYSA-N 287.293 -0.328 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1cccc(O)c1O 2142491321 UQFHUQQNQHTCEI-ONGXEEELSA-N 287.337 -0.001 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188911731 FEPNOLJZOXRQDL-QUBYGPBYSA-N 282.252 -0.824 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@H]4N)C[C@H]21 2201284002 JKQIUDGSUMYMOJ-SPFNVWMYSA-N 272.308 -0.194 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1c(F)cc(CN)cc1F 2234075781 SHRIDWJDJPKFEU-NTZNESFSSA-N 288.294 -0.020 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CCO[C@@H]2CNC3)C1 2264263215 LLGFACQDINTDDS-RUSTZOOPSA-N 252.314 -0.370 10 10 CBCE O=C(CN1C[C@@H](O)[C@@H]2COC[C@@H]21)c1ccc(O)c(O)c1 2354373872 IPVGOWMMZYBNOL-ISTVAULSSA-N 279.292 -0.028 10 10 CBCE CN1CCNC[C@H]1CNC(=O)c1cc(O)nc(O)c1 394066701 GXBDSFSKWYBAEH-VIFPVBQESA-N 266.301 -0.874 10 10 CBCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1COC[C@H]1O 1297980149 BTGVHMIOMNMREI-GDVDPKJNSA-N 265.265 -0.013 10 10 CBCE Cc1cccc(O)c1CNCCNS(N)(=O)=O 1997964313 PWCASZSEJFAFAC-UHFFFAOYSA-N 259.331 -0.417 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H](O)[C@@H](O)[C@@H]1CO 2081037371 XVAORMANIRKAFL-AVGNSLFASA-N 252.314 -0.644 10 10 CBCE Oc1c(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)ccc(F)c1F 2108831345 VYGMLASLACCNKV-ULCXWNMLSA-N 275.251 -0.385 10 10 CBCE O=C(O)[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1F 2120644509 DRLIWNHRWOSRID-RNFRBKRXSA-N 270.216 -0.013 10 10 CBCE NC(=O)CO[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 2145381207 GPRHQFOBHQGCBG-VIFPVBQESA-N 280.280 -0.186 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(NC(N)=O)C1 2163217725 VLCMPMUUPGLONM-MRVPVSSYSA-N 277.328 -0.052 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@H]1[C@H](O)CO 2188874416 HGEFCSUMSGVEJF-GZMMTYOYSA-N 283.280 -0.239 10 10 CBCE N[C@H]1CCCc2cc(N3C[C@H](O)[C@H](O)[C@H]3CO)ccc21 2201037662 PKRNUKHREHBIMY-LJISPDSOSA-N 278.352 -0.075 10 10 CBCE O=C(N[C@@H]1CCC[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 2232550915 ZWQFPESCKBKRJO-FYBVGQRMSA-N 283.280 -0.193 10 10 CBCE OC[C@]1(O)CCN(c2ccc3c(c2)OCCO3)C[C@H]1O 2235094429 OSIIDRWPKARUSA-ZIAGYGMSSA-N 281.308 -0.248 10 10 CBCE CN1CCc2cc(CNCC3(O)CS(=O)(=O)C3)ccc21 2283077322 XFLBYMWLRCHDCT-UHFFFAOYSA-N 296.392 -0.072 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1CC(=O)c1ccc(O)c(O)c1 97294671 QZSLOCWTRBVTGI-ZETCQYMHSA-N 278.264 -0.373 10 10 CBCE C[C@]1(CO)C[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 704639104 FGDUDWMUETUZQA-LJWDBELGSA-N 277.324 -0.040 10 10 CBCE O=C(N[C@H]1CCOC[C@@H]1O)c1cc(O)nc(O)c1 706777131 PYMUCAGUYQGZMY-YUMQZZPRSA-N 254.242 -0.628 10 10 CBCE Nc1cc2c(cc1N1C[C@H]3[C@H](N)[C@H]3C1)NC(=O)CO2 1876186904 KMRSLZCFYLBSAJ-SHRKTGAESA-N 260.297 -0.007 10 10 CBCE Nc1cc(O)ccc1NS(=O)(=O)N1CC[C@H](O)C1 1914163127 MZKQHXUGQIAKOO-QMMMGPOBSA-N 273.314 -0.302 10 10 CBCE Nc1ccc(OCCNC(=O)[C@@H]2CCS2(=O)=O)cc1 2094323548 DSQCERVIJJCUFK-NSHDSACASA-N 284.337 -0.049 10 10 CBCE NC(=O)c1nc(=NCc2cc(N)ccc2O)cc[nH]1 2101133476 LAAGSWSLUDWXKE-UHFFFAOYSA-N 259.269 -0.103 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)CC12CNC2 2130046359 CECQEASBEXWLAB-MRVPVSSYSA-N 265.269 -0.958 10 10 CBCE CN(CCc1nn[nH]n1)C(=O)Cc1ccc(O)c(O)c1 2144031328 YOVQHIRYWUBDBK-UHFFFAOYSA-N 277.284 -0.146 10 10 CBCE Nc1ccc(CCC(=O)N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2200989688 AFDPLEYLMASPPW-SGMGOOAPSA-N 280.324 -0.874 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CCN1Cc1ccc(O)c(O)c1 2201091318 NMCDDVPABUMRFN-DLOVCJGASA-N 283.280 -0.522 10 10 CBCE CO[C@H]1CCNC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2235503743 UKKZMFOVWXWLIL-KWQFWETISA-N 282.296 -0.090 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1CO[C@H]2CNC[C@H]2O1 2279929105 OTKMPTDQSXSSTM-XQQFMLRXSA-N 278.308 -0.236 10 10 CBCE Nc1ccc(OCCN2CC([C@@H](O)CO)C2)cc1 2315143023 BDWXOYFIVBROEG-ZDUSSCGKSA-N 252.314 -0.067 10 10 CBCE CN(C(=O)[C@H]1CNc2ccccc2N1)C(CO)CO 388322033 JDVIKVBTVBYNBX-GFCCVEGCSA-N 265.313 -0.296 10 10 CBCE CC(=O)C(=O)COC(=O)CNC(=O)c1ccccn1 808520777 XTSOELXYJJMORZ-UHFFFAOYSA-N 264.237 -0.487 10 10 CBCE CN(C)S(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1558175204 HZJNZTAVWIVBJO-UHFFFAOYSA-N 288.325 -0.395 10 10 CBCE C[C@@H](NC(=O)[C@H]1CNC(=O)CN1)c1ccccc1O 1877577653 DGWMRCMGPOIYDX-PSASIEDQSA-N 263.297 -0.343 10 10 CBCE [N-]=[N+]=NCCCNS(=O)(=O)N1CCC[C@@H](O)C1 1912170422 WWBMAJPSAFDPPD-MRVPVSSYSA-N 263.323 -0.022 10 10 CBCE Oc1cccc(F)c1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046510717 GXDZHTNUUDDTHW-QTKMDUPCSA-N 257.261 -0.524 10 10 CBCE Oc1c(Cl)cccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046515163 UHENMCKMQFWMPJ-RBLKWDMZSA-N 273.716 -0.010 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2CNC[C@@H]12)c1cc(O)nc(O)c1 2121650251 PVHRICKHQDZGKV-DJLDLDEBSA-N 265.269 -0.791 10 10 CBCE NC[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2124715845 QIDFOYKKJYWQCW-NXEZZACHSA-N 266.297 -0.439 10 10 CBCE CNCc1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1 2178041055 UNFGTGITSRRZQR-OAHLLOKOSA-N 279.384 -0.119 10 10 CBCE CO[C@@H](CO)CNS(=O)(=O)Cc1ccc(N)cc1 2263472088 WAEKMLDAMOMGCB-LLVKDONJSA-N 274.342 -0.305 10 10 CBCE COc1ccc(O)c(CNCC2(O)CS(=O)(=O)C2)c1 2267898700 YVWBMQGWGDLKBH-UHFFFAOYSA-N 287.337 -0.350 10 10 CBCE CS(=O)(=O)C1(C(=O)NCc2ccccc2O)CNC1 2351751349 YZGFWJZMIFOVHE-UHFFFAOYSA-N 284.337 -0.605 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2OC[C@@H](CO)[C@H]2C1 2355694083 UWJAXMRCHSIZKD-OPRDCNLKSA-N 280.280 -0.428 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)[C@H](O)C2)cc1 236375875 MWXZIPSZSBCPOM-RTXFEEFZSA-N 268.313 -0.954 10 10 CBCE C[C@@](CO)(NC(=O)c1cc(O)nc(O)c1)C(=O)O 313508272 ZPLJYAQJILLUHV-JTQLQIEISA-N 256.214 -0.942 10 10 CBCE CNC1(C(N)=O)CN(C(=O)Nc2ccc(N)cc2)C1 1876152637 IWBYLJGKFQLGBR-UHFFFAOYSA-N 263.301 -0.440 10 10 CBCE CN1C[C@H](N)[C@@H](NC(=O)c2cccc(O)c2O)C1 2029893831 OQEMYJXLEIQXCQ-IUCAKERBSA-N 251.286 -0.531 10 10 CBCE CS(=O)(=O)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2095965526 YCISGJDPGBQGQU-LLVKDONJSA-N 281.337 -0.128 10 10 CBCE O=C(CN1C[C@H](O)C[C@@H](O)C1)c1ccc(O)c(O)c1 2105081997 BXWLEQDKNNFQGS-NXEZZACHSA-N 267.281 -0.292 10 10 CBCE OC[C@@H]1C[C@H](NCc2cccc(F)c2O)[C@@H](O)[C@H]1O 2121476793 XNZABCQYWAVXOE-SKZLGDCLSA-N 271.288 -0.277 10 10 CBCE CO[C@@H]1CNC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2122548747 GDAMBMAFNSJFOC-JOYOIKCWSA-N 266.297 -0.257 10 10 CBCE CN(C)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144020787 WAMPXFZANIOEHW-SECBINFHSA-N 282.296 -0.229 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NOCCC(=O)O 2157158195 OYEVYASUHSZZPX-QMMMGPOBSA-N 284.268 -0.510 10 10 CBCE NCCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2159506979 QLBPYRQMQZQHOY-VIFPVBQESA-N 282.296 -0.051 10 10 CBCE NC[C@@H]1COCCN1c1cc2c(cc1N)OCC(=O)N2 2191557776 CCIUKMARSWFFCG-MRVPVSSYSA-N 278.312 -0.236 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1Cc1ccc(F)cc1O 2204623970 GIARTEUOVCRKHB-ADEWGFFLSA-N 285.271 -0.088 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311710899 ZMMDXDJTTIVVDR-NZBQSGDWSA-N 252.314 -0.391 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(C=O)c1 2333715700 GJEXGOJLVYYZAM-XQQFMLRXSA-N 267.281 -0.590 10 10 CBCE NCCCNC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 51355408 YSWBUZDLXQRFNC-SECBINFHSA-N 297.311 -0.259 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@@H]1NCCc2c(O)ccc(O)c21 75799557 RSTUVTLYVKCFPW-MXWKQRLJSA-N 269.253 -0.909 10 10 CBCE CO[C@@H](CNC(=O)c1cc(O)nc(O)c1)CC(=O)O 232106914 GFEKFOMFXWUXMK-SSDOTTSWSA-N 270.241 -0.288 10 10 CBCE N[C@@H]1C[C@@H]2CN(C(=O)c3cccc(O)c3O)CCN2C1 405254789 KCPRRKLUXCTSQN-NXEZZACHSA-N 277.324 -0.045 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)[C@@H]1CCNC1=O 691425199 VMUCBKAYTDLJEC-LLVKDONJSA-N 262.313 -0.555 10 10 CBCE NOCCS(=O)(=O)NCCc1ccc(O)c(O)c1 2031071738 VSLRZORZJSHWRR-UHFFFAOYSA-N 276.314 -0.550 10 10 CBCE Nc1ccc(CN2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2063733733 WTEBUYJZIFLPKL-NWDGAFQWSA-N 250.298 -0.425 10 10 CBCE CC1(C)OCCO[C@@H]1[C@@H](NCCN=[N+]=[N-])C(N)=O 2076656524 OOZCQPBTOJMDLT-HTQZYQBOSA-N 257.294 -0.066 10 10 CBCE Cn1cc(S(=O)(=O)NCCc2ccc(N)cc2)nn1 2088181941 ZTQPUIKWJJEXMB-UHFFFAOYSA-N 281.341 -0.082 10 10 CBCE O=S1(=O)C[C@@H](NCc2ccc3c(c2)CCO3)[C@@H](O)C1 2104272908 AEXGNPZPHAUMGD-NEPJUHHUSA-N 283.349 -0.131 10 10 CBCE O=C1CC[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CN1 2132350917 ROFXASFEQOCTEU-SSDOTTSWSA-N 266.253 -0.188 10 10 CBCE O=C(O)CC[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 2166538556 NIURGIYWUKADMA-VIFPVBQESA-N 283.280 -0.018 10 10 CBCE COC(=O)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H](C)O 2188875713 SZOIUBUFBHCLLO-MLUIRONXSA-N 285.252 -0.544 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H]2CC[C@@H]1[C@@H](O)[C@@H](O)C2 2357024387 FVQKKADVEZXAOT-KIKITERTSA-N 280.280 -0.409 10 10 CBCE CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 49101053 CKJHKWVCQPGUER-APPZFPTMSA-N 281.312 -0.782 10 10 CBCE Nc1ccc(OCC(=O)N2CCO[C@H](CO)C2)cc1 167705668 XLZDJLKDGTUVEB-LBPRGKRZSA-N 266.297 -0.133 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CNC(=O)C2)cc1 228869035 FSWCFJJXJPVEJQ-SNVBAGLBSA-N 269.326 -0.423 10 10 CBCE O=C(CN1C[C@H](O)[C@H](O)C1)c1ccc(O)c(O)c1 236582447 NBINEICSFMXOIM-TXEJJXNPSA-N 253.254 -0.682 10 10 CBCE CNC(=O)NCCNC(=O)c1cccc(O)c1O 397478003 YMBSTPNINVYONG-UHFFFAOYSA-N 253.258 -0.243 10 10 CBCE Nc1ccc(NC(=O)CN2CCOC[C@H](O)C2)cc1 399878929 XNPFASNQAYUFLG-GFCCVEGCSA-N 265.313 -0.100 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C[C@H]1CO 687591856 QQYXFZHHQNGGGM-GWCFXTLKSA-N 277.324 -0.215 10 10 CBCE C[C@@H](c1nn[nH]n1)N(C)C(=O)c1cc(O)nc(O)c1 707198303 POEOGHOUXDFQIU-YFKPBYRVSA-N 264.245 -0.161 10 10 CBCE CN(C(=O)C(=O)Nc1ccc(N)cc1)[C@H]1C[C@@H](C(N)=O)C1 861530365 YAEKPPJXCWLSSU-DKTWLAJQSA-N 290.323 -0.070 10 10 CBCE C[C@@H](CS(N)(=O)=O)NC(=O)c1ccc(O)c(O)c1 2035447012 QXYIBIGSVGACAR-LURJTMIESA-N 274.298 -0.495 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@H]2CN3CCN2CC3)C1 2038244159 CIQCNRFADAISTG-VHSXEESVSA-N 250.306 -0.103 10 10 CBCE CN1C[C@H](O)[C@@H](NCc2cc3c(cc2O)OCO3)C1 2090333507 JSVTUFJEHLONAK-ONGXEEELSA-N 266.297 -0.115 10 10 CBCE CCOC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2101425060 SVAHQCUMQOJAEE-ZETCQYMHSA-N 270.241 -0.288 10 10 CBCE O=C(NCC[C@@H]1COC[C@H]1O)c1cc(O)nc(O)c1 2111276713 IYTVLQGNRPWDOC-VXNVDRBHSA-N 268.269 -0.380 10 10 CBCE N[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)CC[C@@H]1CO 2122394463 WYCHTNIFFCWYJH-NXEZZACHSA-N 266.297 -0.121 10 10 CBCE N=S1(=O)CC2(CN(C(=O)c3cc(O)nc(O)c3)C2)C1 2126362564 DCGWDXHOKCDKEE-UHFFFAOYSA-N 283.309 -0.005 10 10 CBCE Nc1ccc(NC(=O)N2CCOC[C@@H]2[C@@H](O)CO)cc1 2146335450 WLZIFOYICYMITE-NEPJUHHUSA-N 281.312 -0.145 10 10 CBCE O=C1N[C@H]2CN(Cc3cc(Cl)ccc3O)C[C@@H]2NC1=O 2166791267 QSRBYROYEYNAQW-UWVGGRQHSA-N 295.726 -0.156 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@@H]2COC[C@H]21 2188937122 BDHIIIFOROLMHP-RKDXNWHRSA-N 280.280 -0.384 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c([N+](=O)[O-])c1 2200878895 ZGYJLEWRJUJTBZ-GRYCIOLGSA-N 284.268 -0.494 10 10 CBCE N=c1nnc(OC[C@H]2CC3(CCCC3)CN2)n[nH]1 2219014803 JSJNWLRPJPSORR-MRVPVSSYSA-N 250.306 -0.020 10 10 CBCE CN(C)CCCNC=C1C(=O)NC(=S)N(C2CC2)C1=O 2296082542 JSSNSKXMLVAAQJ-UHFFFAOYSA-N 296.396 -0.183 10 10 CBCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCS(=O)(=O)C1 90256817 VVAIULSEUBOMKM-QMMMGPOBSA-N 262.291 -0.383 10 10 CBCE C[C@H](O)CNCCNC(=O)c1cccc(O)c1O 126729786 BSFPCDYMMJLPAA-QMMMGPOBSA-N 254.286 -0.202 10 10 CBCE NC[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 165580661 TWPKHQHYRACJFG-QMMMGPOBSA-N 253.258 -0.708 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)C[C@H]1CO 698206418 DFSDHAQQPQMRRP-CWSCBRNRSA-N 277.324 -0.153 10 10 CBCE CN1CCN(C(=O)COc2ccc(N)cc2)[C@H](CO)C1 699433628 JABNGIUOSBYIMP-LBPRGKRZSA-N 279.340 -0.218 10 10 CBCE Nc1ccc(OCC(=O)NC2(CO)CC(O)C2)cc1 1879555687 PHEBGLIIAVUCNU-UHFFFAOYSA-N 266.297 -0.350 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc(C=CC(=O)O)cc1 1911984582 KPKILWQRVZMGQR-UHFFFAOYSA-N 277.280 -0.439 10 10 CBCE Oc1cccc(Cl)c1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046513829 IWMWNXOKOXIIGN-KLHWPWHYSA-N 273.716 -0.010 10 10 CBCE CCN(CC(N)=O)C(=O)c1cc(O)c(O)c(O)c1 2068566295 JJXFSGPXRMCUJS-UHFFFAOYSA-N 254.242 -0.249 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2(CO)COC2)cc1 2068965458 YYYSYHORTQSBGG-UHFFFAOYSA-N 272.326 -0.551 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2080937039 BNCMSSBVQCCQQL-OQCKYNKVSA-N 253.298 -0.357 10 10 CBCE O=C(O)CN1CC(CNC(=O)c2cc(O)nc(O)c2)C1 2169314894 PTKFCLQSMGIMRI-UHFFFAOYSA-N 281.268 -0.761 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2COC[C@@]2(CO)C1 2234582408 HMUXTWKNDHKYDR-RNCFNFMXSA-N 280.280 -0.426 10 10 CBCE Cc1csc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)n1 169996311 ITJWKCDCXLIZGI-LURJTMIESA-N 268.298 -0.100 10 10 CBCE NC(=O)COCCNC(=O)CCc1ccc(N)cc1 230026696 HTYNPSXBWGOEJE-UHFFFAOYSA-N 265.313 -0.181 10 10 CBCE CN(C)C[C@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C1 713689285 UOHDLJKGPIJLJE-CYBMUJFWSA-N 281.312 -0.369 10 10 CBCE COC(=O)CS(=O)(=O)NCCc1ccc(O)c(O)c1 1259029963 JJZPZAOOLXSLIF-UHFFFAOYSA-N 289.309 -0.267 10 10 CBCE NC(=O)N[C@@H](CO)C(=O)NCc1c(O)cccc1F 1456028562 JIQHYCDRDAPUAI-QMMMGPOBSA-N 271.248 -0.823 10 10 CBCE COCCNC(=O)NC(=O)CN(C)CCN=[N+]=[N-] 1912200732 KUBDAFQMOYIDQN-UHFFFAOYSA-N 258.282 -0.299 10 10 CBCE O=C1C[C@@H](NC(=O)c2cccc(O)c2O)C(=O)N1 2034959029 WNLFGAXMTGITKA-ZCFIWIBFSA-N 250.210 -0.757 10 10 CBCE CCN(C)C[C@H](O)Cn1ccc2c(c1=O)CNCC2 2094406138 CAPLSBDKCNUZOH-LBPRGKRZSA-N 265.357 -0.193 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@H](O)[C@@H]1O 2177942941 CJKZWWKGGJPDNW-VIRABCJISA-N 279.336 -0.186 10 10 CBCE NCCc1nc(NC(=O)c2cc(O)c(O)c(O)c2)n[nH]1 2188913116 PDAZFNYZVUUJLF-UHFFFAOYSA-N 279.256 -0.325 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc2c(c1)CCO2 2219585974 HBSRPHOEUIWEFU-NQBHXWOUSA-N 251.282 -0.476 10 10 CBCE OC[C@]1(O)CCN(c2ccc3c(c2)CCO3)C[C@@H]1O 2226749911 UGTBPEZIDODLFO-UONOGXRCSA-N 265.309 -0.084 10 10 CBCE O[C@H]1COC2(CN(c3ccc4c(c3)OCCO4)C2)[C@@H]1O 2235105464 YNMQCUSEKXTAJM-GXFFZTMASA-N 279.292 -0.231 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@]23CNC[C@@H]2C3)cc1 2238858943 STGBAJFDOXZFNH-GXFFZTMASA-N 297.380 -0.071 10 10 CBCE O=C(O)CS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341145208 JOLWLLMKLUBUQW-UHFFFAOYSA-N 287.293 -0.130 10 10 CBCE NC(=O)c1cn[nH]c(=NCc2cc(N)ccc2O)c1 2352173159 FDPYAWFVJDOLKO-UHFFFAOYSA-N 259.269 -0.103 10 10 CBCE C[C@@H](c1ccccc1O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 2355659316 OCDDSBCBAOJXRJ-LSJOCFKGSA-N 277.324 -0.028 10 10 CBCE C[C@H]1C(=O)NCCN1C[C@H](O)COc1ccc(N)cc1 110654655 PEFTZEQGGZJDEP-JQWIXIFHSA-N 279.340 -0.171 10 10 CBCE OCC(CO)(CO)NCc1c(O)cccc1Cl 236495956 ZABVVNZWLYNPLX-UHFFFAOYSA-N 261.705 -0.149 10 10 CBCE O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(O)c(O)c1 706743614 LGERCFXDBDZCIU-KWQFWETISA-N 253.254 -0.023 10 10 CBCE O=C(N[C@@]1(CO)CCCNC1)c1ccc(O)c(O)c1 711738738 FKERCJJIVHYEGC-ZDUSSCGKSA-N 266.297 -0.058 10 10 CBCE Nc1ccc(OCC(=O)N2CC(CO)(CO)C2)cc1 721415390 MOSLZMLGQUVDDU-UHFFFAOYSA-N 266.297 -0.539 10 10 CBCE N[C@H]1COC[C@H]1CNC(=O)c1cc(O)c(O)c(O)c1 2132417365 CTDBQKGJCMGNJF-SFYZADRCSA-N 268.269 -0.493 10 10 CBCE CN(C)CCN(CCO)c1ccc2c(c1)NC(=O)[C@H]2N 2155581437 XNHWHQGQAIWZRA-ZDUSSCGKSA-N 278.356 -0.001 10 10 CBCE COC1(C(N)=O)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2161183018 DEGRGVIHYPANMY-SNVBAGLBSA-N 276.296 -0.671 10 10 CBCE O=C1CN(C(=O)c2ccc(O)c(O)c2)CCN1CCO 2171080385 BVPNAHCXVIMJFP-UHFFFAOYSA-N 280.280 -0.626 10 10 CBCE Nc1cc2c(cc1N1CC[C@@H](O)[C@@H](O)C1)NC(=O)CO2 2188627132 DFCVKJNAYIUMMF-MNOVXSKESA-N 279.296 -0.468 10 10 CBCE N=c1nnc(OC[C@H]2CC[C@@](F)(CN)CC2)n[nH]1 2219013405 RTNWKLVRLKDLBP-GVJMRKKJSA-N 256.285 -0.085 10 10 CBCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332919658 GASPSFPGRZZQPI-WTDIUWLJSA-N 266.341 -0.130 10 10 CBCE OC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)OCCO2 2333690292 YIKSVVKDUBGEPX-OUJBWJOFSA-N 267.281 -0.640 10 10 CBCE NCCc1nnc(CN2C(=O)CSC2=S)o1 83430328 RWUPWFLSIUITAR-UHFFFAOYSA-N 258.328 -0.069 10 10 CBCE CN(C)CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 167733111 MYARTSCHCSZRHP-VIFPVBQESA-N 282.296 -0.229 10 10 CBCE NC(=O)CC1(NC(=O)c2cc(O)c(O)c(O)c2)COC1 170190735 MBPOZQQTKHNKKS-UHFFFAOYSA-N 282.252 -0.822 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCOC[C@H](O)C2)cc1 399872987 QOBMFLRMHDMKLC-OLZOCXBDSA-N 282.340 -0.298 10 10 CBCE CO[C@H]1CS(=O)(=O)C[C@H]1NCc1cccc(O)c1O 697288592 ACJNSPKVAMXWGK-KOLCDFICSA-N 287.337 -0.001 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@@H]1COC[C@@H]1O 708736568 QVMWYZPGFBRNBA-SCZZXKLOSA-N 253.254 -0.071 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)[C@H](CO)C1 1451598243 DWOSOALVAFQLLT-QWRGUYRKSA-N 281.308 -0.158 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCNC2=O)cc1 1887178711 ACJVJGMOVFCTTG-JTQLQIEISA-N 283.353 -0.176 10 10 CBCE CNCC[S@@](C)(=O)=NC(=O)c1cc(O)nc(O)c1 2042954394 PFHPLJQGWWFTQF-GOSISDBHSA-N 273.314 -0.050 10 10 CBCE O=C(NC[C@@H]1CCNC1=O)c1cccc(O)c1O 2075994487 OLBWGNWVAOTXMZ-ZETCQYMHSA-N 250.254 -0.036 10 10 CBCE Nc1ccc(CC(=O)N[C@]2(CO)C[C@H](O)C2)cc1 2076684468 XWXKJVWEJQZDSK-BJHJDKERSA-N 250.298 -0.187 10 10 CBCE CNS(=O)(=O)C1CN(C(=O)c2cccc(O)c2O)C1 2130774872 QXDTWKPRMBWXKG-UHFFFAOYSA-N 286.309 -0.529 10 10 CBCE Cc1cccc(CNC(=O)[C@H]2CNC(=O)CN2)c1O 2139762817 VEQWBDGJQCRAEC-SNVBAGLBSA-N 263.297 -0.595 10 10 CBCE COC(=O)[C@@H](N)CCNC(=O)c1cc(O)c(O)c(O)c1 2188921937 FEJOQDGSWDPBDE-ZETCQYMHSA-N 284.268 -0.576 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@@H]1CO 2188925261 SYAYDKUDEUTCTL-VXNVDRBHSA-N 282.296 -0.415 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2c(O)cccc2F)C[C@@H]1O 2197468009 ZHNHPYFRZNBGRH-WCQYABFASA-N 285.271 -0.086 10 10 CBCE C[C@H](CO)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 86631621 MAAIGKDGDREWPS-WPRPVWTQSA-N 268.313 -0.288 10 10 CBCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cn(CCCO)nn1 90639308 BURIJRIVPILSJG-VIFPVBQESA-N 282.308 -0.523 10 10 CBCE COC(=O)[C@@H](O)CN1CCN(c2ccc(N)cc2)CC1 312600508 SCPMWPGLNYKEBL-ZDUSSCGKSA-N 279.340 -0.075 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2CNC[C@@H]2O)cc1 1876665502 ODANYVCGDDQIDA-NEPJUHHUSA-N 265.313 -0.513 10 10 CBCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)CO 2027475401 RYZQZZZRALOGIZ-RDDDGLTNSA-N 255.270 -0.502 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@H](O)[C@@H](O)C1 2068405612 HDMLVFAKUSHRCO-ONGXEEELSA-N 253.254 -0.335 10 10 CBCE N[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCOC1 2087728227 ZXBKFYQNRGBAHO-ZDUSSCGKSA-N 266.297 -0.126 10 10 CBCE C[C@@H](CS(N)(=O)=O)NC(=O)CCc1ccc(N)cc1 2096646418 YUHNMQCACMWTDZ-VIFPVBQESA-N 285.369 -0.005 10 10 CBCE Nc1ccc(O)c(CN2CCN(CCO)C(=O)C2)c1 2114625735 AVXUZGBHDOOVCJ-UHFFFAOYSA-N 265.313 -0.389 10 10 CBCE O=C(O)C[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348882 VBOJZLHZVQAYOV-ZCFIWIBFSA-N 271.225 -0.631 10 10 CBCE CN(CCS(N)(=O)=O)C(=O)c1cc(O)c(O)c(O)c1 2132350559 OMPNFYAIEIWZIJ-UHFFFAOYSA-N 290.297 -0.836 10 10 CBCE Nc1cc2c(cc1N1C[C@H]3C[C@H]1[C@@H](O)[C@@H]3O)OCCO2 2160703557 KUOFTNQTNHNSRF-LSYYBOQUSA-N 278.308 -0.030 10 10 CBCE NC(=O)C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 40472615 OVJZFEJICIUQIH-VIFPVBQESA-N 265.269 -0.744 10 10 CBCE Cn1c(CCN)cc(=O)n2nc(-c3cnccn3)cc12 71468207 BVYFJSHJVILODQ-UHFFFAOYSA-N 270.296 -0.009 10 10 CBCE O=C(N[C@@H]1CCO[C@H]1C(=O)O)c1cc(O)nc(O)c1 702982768 TVWPFCMMTZZUQH-HZGVNTEJSA-N 268.225 -0.535 10 10 CBCE CN(C)C[C@H](O)CN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 708529286 VWWQLEYDARJSAQ-GXFFZTMASA-N 278.356 -0.003 10 10 CBCE O=C(N[C@@H]1CCNC[C@@H]1O)c1cccc(O)c1O 710369456 NEJAWHRRFNSJSS-SCZZXKLOSA-N 252.270 -0.450 10 10 CBCE NC[C@H]1C[C@H](O)CN1C(=O)c1cccc(O)c1O 2067383296 OBSNUEOHPUGIAD-SFYZADRCSA-N 252.270 -0.368 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCNC[C@H]1O 2087724436 HHWOEYKITKTTAX-BXKDBHETSA-N 266.297 -0.521 10 10 CBCE O=C1Nc2cc(N3C[C@H](CO)C[C@H]3CO)ccc2[C@H]1O 2146080002 KPQYSEXBZOFYDM-DFAYQTQMSA-N 278.308 -0.148 10 10 CBCE C[C@@H]1OC2(CN)CC1(NC(=O)c1cc(O)nc(O)c1)C2 2156837525 QRFMRKRLRYTCED-VANPFNHASA-N 279.296 -0.129 10 10 CBCE Nc1ccc(O)c(CNC(=O)C2[C@H]3CS(=O)(=O)C[C@H]23)c1 2174577353 QCTMRTCNXXLDKK-UWVGGRQHSA-N 296.348 -0.119 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](CO)OCC12CC2 2183961807 CASZUBQHSZYRMP-SECBINFHSA-N 280.280 -0.141 10 10 CBCE CN[C@H]1CCOC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188912721 MEVNXEGDISAKRA-IUCAKERBSA-N 282.296 -0.090 10 10 CBCE C1=NC2=NC=N[C@H]2C(N=NC2=NC=N[C@@H]3N=CN=C23)=N1 2333261560 ZEHCQPHQOLWEQT-XRGYYRRGSA-N 266.228 -0.063 10 10 CBCE Nc1ccc(CCC(=O)NC[C@@H](O)C(=O)O)cc1 134696815 MCFYVUURCCCKHS-SNVBAGLBSA-N 252.270 -0.237 10 10 CBCE COCC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169839068 TXQMCHKHPWKXNX-UHFFFAOYSA-N 284.268 -0.704 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)[C@H](O)C2)cc1 236367294 VOXVOYSDGMEGSD-GHMZBOCLSA-N 252.270 -0.788 10 10 CBCE O=C(NC1CS(=O)(=O)C1)[C@H]1CNc2ccccc2N1 380208959 GYXSKQNGJDXFKW-LLVKDONJSA-N 281.337 -0.194 10 10 CBCE CN(C)C[C@@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 380512239 GTNBBIFBHVWVGR-CYBMUJFWSA-N 280.372 -0.521 10 10 CBCE NC(=O)N[C@H]1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 690735306 LSHGYHRYXUDADC-CPCISQLKSA-N 276.296 -0.081 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)C[C@@H]2CO)cc1 698139126 OEQNHKSXAKFNND-GHMZBOCLSA-N 266.297 -0.398 10 10 CBCE COC(=O)[C@H](CO)NC(=O)CCc1ccc(N)cc1 707230684 SRHYHNILZMTLIC-NSHDSACASA-N 266.297 -0.149 10 10 CBCE COC(=O)C1(O)CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 714427188 PPLGVRDPRFXAAR-JTQLQIEISA-N 277.280 -0.637 10 10 CBCE NC(=O)N1CCN(c2ccc3c(c2)NC(=O)[C@H]3N)CC1 722196776 XHEKFKQIBBFWMB-NSHDSACASA-N 275.312 -0.161 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 1912150264 QXRUBDTVZVWXLV-ZCFIWIBFSA-N 252.234 -0.551 10 10 CBCE Cn1c(=O)ccn(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)c1=O 1912160510 XBLDABNJPCJOQP-QMMMGPOBSA-N 278.272 -0.542 10 10 CBCE O=C(O)[C@@H]1C(=O)NCC[C@H]1c1cc(O)nc(O)c1 1952608996 UCONFPLLMPDLIE-RCOVLWMOSA-N 252.226 -0.203 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H]3[C@@H](N)[C@H]3C2)cc1 2071737776 GOIKLEBDNUHFDP-ZSBIGDGJSA-N 267.354 -0.013 10 10 CBCE CN1CCO[C@@H](Cn2ccc3c(c2=O)CNCC3)C1 2094408234 ZCIJJOAEWJFKBG-GFCCVEGCSA-N 263.341 -0.175 10 10 CBCE COc1ccc(N2CCNC[C@H]2C(N)=O)cc1OC 2106325311 HNJVBNVSYHYCNB-JTQLQIEISA-N 265.313 -0.033 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)cc1 2108798723 DTVWPULZGDKRNE-WCQGTBRESA-N 266.297 -0.352 10 10 CBCE O=C(O)CN1CC(CNC(=O)c2cccc(O)c2O)C1 2169332210 SSDRPJHOESXXDX-UHFFFAOYSA-N 280.280 -0.156 10 10 CBCE C[C@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1O 2184140299 JPSZBWBMKJZCRZ-WRWORJQWSA-N 278.312 -0.798 10 10 CBCE NC[C@@]12CO[C@@H](CN1C(=O)c1cc(O)c(O)c(O)c1)C2 2188926911 BSZVZISUTARMLG-OQPBUACISA-N 280.280 -0.254 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@](O)(CO)[C@H](O)C2)cc1 2234107318 QMXBAZQGZZMKEQ-OCCSQVGLSA-N 280.324 -0.872 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2354483892 FYEJNLNZKAFQLV-YBJAMMKNSA-N 275.308 -0.431 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](O)C[C@@H]1CO 698130802 QRXDKXQCPNNNLB-SFYZADRCSA-N 253.254 -0.335 10 10 CBCE C[C@]1(C(=O)O)CN(C(=O)c2cc(O)nc(O)c2)CCO1 711569542 KTRUCASKMDDTMQ-GFCCVEGCSA-N 282.252 -0.192 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1c1cc2c(cc1N)OCCO2 1876547734 MZYSAEGDUQPQOI-DTWKUNHWSA-N 265.313 -0.062 10 10 CBCE CN(Cc1ccccc1O)C(=O)NC[C@H](O)C(=O)O 1877537130 DOUROEAKOBBSOG-JTQLQIEISA-N 268.269 -0.021 10 10 CBCE COC(=O)C1(NCCCN=[N+]=[N-])CS(=O)(=O)C1 1912166673 AISVRYJZCMULBS-UHFFFAOYSA-N 262.291 -0.383 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O 2121476650 WTICHQOPZLAINV-RCCPXBDUSA-N 267.325 -0.107 10 10 CBCE CS(=O)(=O)CS(=O)(=O)Nc1ccc(O)c(N)c1 2214994490 LGDMMGFJVIENGO-UHFFFAOYSA-N 280.327 -0.282 10 10 CBCE CO[C@@H](CO)CNC(=O)COc1ccc(N)cc1 2263470281 MBHVGVGCAZMAIU-LLVKDONJSA-N 254.286 -0.229 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(CN)c1 2333715567 AVXWAFWAOXVEHA-UPJWGTAASA-N 268.313 -0.943 10 10 CBCE CN1CCN(CCOc2ccc(N)cc2)C(=O)C1=O 61797492 DEAIUFATHKIYTR-UHFFFAOYSA-N 263.297 -0.052 10 10 CBCE CNC(=O)[C@H]1COCCN1C(=O)c1ccc(O)c(O)c1 234342133 BWVHVPCIQCSEOM-SECBINFHSA-N 280.280 -0.315 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 252476410 HQCRLQXCMCVRHJ-KRTXAFLBSA-N 288.307 -0.486 10 10 CBCE Nc1ccc(CC(=O)N(CCO)CC(=O)O)cc1 388553470 IVWYTOCLOFUWLL-UHFFFAOYSA-N 252.270 -0.283 10 10 CBCE COC(=O)C[C@H](N)C(=O)NCc1ccc(OC)cc1O 832177717 DLCGUFLKWLTFBE-JTQLQIEISA-N 282.296 -0.093 10 10 CBCE CC(=O)C(=O)CN1C(=O)N2CCCC[C@H]2CS1(=O)=O 865388501 CODOGHKXBZZMJE-VIFPVBQESA-N 288.325 -0.236 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)C2[C@@H]3CS(=O)(=O)C[C@@H]23)C1 2006134821 NZNLMIASGLNOLW-RNFRBKRXSA-N 256.287 -0.202 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)C1CS(=O)(=O)C1 2095904573 PPLLXRNQKQKNEI-NSHDSACASA-N 281.337 -0.128 10 10 CBCE COc1cc(N2CCOC[C@H]2C(N)=O)ccc1CO 2139682106 BXTGWDUIRPTBMS-NSHDSACASA-N 266.297 -0.122 10 10 CBCE Cc1cc(CN)ccc1N1CCN(C[C@@H](O)CO)CC1 2178040766 RMTQMGISHJVKIU-CQSZACIVSA-N 279.384 -0.071 10 10 CBCE CNC[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188920102 SIJFXAOUIURTJO-SECBINFHSA-N 282.296 -0.136 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CN)c(F)c1F 2234074137 LYJBXESVFKOIED-NRUUGDAUSA-N 288.294 -0.020 10 10 CBCE CN(C)/C=C1/C(=N)N=C(N2CCN(C)CC2)NC1=O 101450674 AFFMCDJPLCVODO-HJWRWDBZSA-N 264.333 -0.858 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@@](O)(CO)C1 314453693 UALLUINKRBMZMP-JSGCOSHPSA-N 277.324 -0.152 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCOC[C@H]2O)cc1 706754916 AKPBCFNYGUOXRV-NWDGAFQWSA-N 266.297 -0.086 10 10 CBCE Cn1c(O)nnc1CNC(=O)Cc1ccc(N)cc1 821987843 NEDGTFUZSKQRAZ-UHFFFAOYSA-N 261.285 -0.038 10 10 CBCE O=C(CN1C(=O)CNC1=O)NCc1cc(O)ccc1O 1303223451 QBVOFWSTHIHPPI-UHFFFAOYSA-N 279.252 -0.734 10 10 CBCE C[C@]1(CO)C[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1453749985 VAZFWWYPGKLTDM-IINYFYTJSA-N 281.308 -0.016 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@H](O)C1)OCCO2 1876328043 AERNVPDUNIGXLO-VIFPVBQESA-N 265.313 -0.190 10 10 CBCE CN1C(C)(C)[C@@](NCCN=[N+]=[N-])(C(=O)O)CS1(=O)=O 1912174603 BLSABTXTEVDVGM-VIFPVBQESA-N 291.333 -0.237 10 10 CBCE Nc1ccc(CC(=O)N2CC(CO)(C(=O)O)C2)cc1 2114365712 LGVDTAGHSJPNHT-UHFFFAOYSA-N 264.281 -0.283 10 10 CBCE CO[C@](C)(CN)CNC(=O)c1cc(O)c(O)c(O)c1 2132412621 FTJZSPUPWKJBHB-GFCCVEGCSA-N 270.285 -0.103 10 10 CBCE [N-]=[N+]=NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 4822353 SKWSYTVBPHWKHX-WDHZHIADSA-N 292.259 -0.662 10 10 CBCE CN1C(=O)C[C@H](NC(=O)CCOc2ccc(N)cc2)C1=O 116071860 GANBDFFEZAZKER-NSHDSACASA-N 291.307 -0.089 10 10 CBCE C1=NC2=NC=N[C@H]2C(/N=N/C2=NC=NC3=NC=N[C@H]32)=N1 140123316 VTZLJLGAVCQCHY-FRCDTIQSSA-N 266.228 -0.063 10 10 CBCE O=C(NC[C@@H]1COCCN1)c1cc(O)nc(O)c1 236588788 MFPSKGBSKMPYDP-MRVPVSSYSA-N 253.258 -0.789 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)C[C@@H]2CO)cc1 698116413 QRAWMBAANBTKJO-JHJVBQTASA-N 282.340 -0.564 10 10 CBCE NC(=O)CN1CCN(Cc2ccccc2O)CC1=O 839171089 YNAGYBQUKMCZIQ-UHFFFAOYSA-N 263.297 -0.478 10 10 CBCE [N-]=[N+]=N[C@@H]1CCCN([C@H]2CS(=O)(=O)C[C@@H]2O)C1 1912201625 WUZWMONVTZGKAR-VGMNWLOBSA-N 260.319 -0.081 10 10 CBCE COc1cc(N)c(N2CC(O)(C(N)=O)C2)cc1OC 1915249274 VHLDOADXQLPGFO-UHFFFAOYSA-N 267.285 -0.678 10 10 CBCE CO[C@H]1CC(NCCN=[N+]=[N-])(C(N)=O)C[C@@H]1OC 2047395912 BQCLTEKOHAOFBP-YUMQZZPRSA-N 257.294 -0.066 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 2071667043 FISDIPHQTPYBNQ-GDNZZTSVSA-N 267.354 -0.094 10 10 CBCE N[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCOC1 2091746810 HCJVDVPBIMXOPD-CYBMUJFWSA-N 266.297 -0.126 10 10 CBCE CN(CC(CO)CO)C(=O)Cc1ccc(O)c(O)c1 2094029871 ANMZNICEIUHDQJ-UHFFFAOYSA-N 269.297 -0.301 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(N)cc1 2184136954 LOTKMYXFUGQFBQ-SECBINFHSA-N 277.284 -0.914 10 10 CBCE O=C(NC[C@H]1C[C@@H](CO)CO1)c1cc(O)c(O)c(O)c1 2188874409 HCPHPOVSSHJEGH-IONNQARKSA-N 283.280 -0.069 10 10 CBCE CSc1ncc(CNC(=O)[C@@H]2NC[C@H](O)[C@H]2O)s1 2256938386 UDVBIHRNJDBUFN-XLPZGREQSA-N 289.382 -0.825 10 10 CBCE COc1ccc(CNCCOCC(N)=O)c(O)c1 230052746 XHNZVXCAUOZIKL-UHFFFAOYSA-N 254.286 -0.008 10 10 CBCE Nc1ccc(OCC(=O)NCc2nc(O)n[nH]2)cc1 392435863 MCSUAJFZWQDAIW-UHFFFAOYSA-N 263.257 -0.212 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H](O)[C@H](CO)C1 396818421 XHRQHIXDVHZNLB-VHSXEESVSA-N 267.281 -0.087 10 10 CBCE C[C@@H]1CN([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC1=O 504657121 UZMZEOFNOSIBIL-NGJRWZKOSA-N 269.261 -0.040 10 10 CBCE COC(=O)[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1447138624 LHEDSKPGXHSUOF-JTQLQIEISA-N 269.253 -0.710 10 10 CBCE C[C@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857878764 LLLRAXVQQLNELG-LURJTMIESA-N 276.256 -0.553 10 10 CBCE O=C(O)CC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876122 SNLZETXRDDQRNN-LURJTMIESA-N 299.235 -0.149 10 10 CBCE O=C(O)CC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876123 SNLZETXRDDQRNN-ZCFIWIBFSA-N 299.235 -0.149 10 10 CBCE O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 1866302734 BEKCGMGIPSWARM-RNFRBKRXSA-N 283.236 -0.537 10 10 CBCE Nc1ccc(CN2CCN(CC(=O)O)C(=O)C2)cc1 1891883080 HLQADRZNEOMSKP-UHFFFAOYSA-N 263.297 -0.002 10 10 CBCE O=C(NC[C@H]1COC[C@@H]1O)c1cccc(O)c1O 2036580598 UMIFZYCIHSSVRU-XVKPBYJWSA-N 253.254 -0.165 10 10 CBCE C[C@@H](O)[C@@H](CO)NCc1cc2c(cc1O)OCO2 2053800483 PMNMZXIHMCRQML-VXNVDRBHSA-N 255.270 -0.048 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1COC[C@H]1O 2064057689 FDTKCEKTGVVQKM-JOYOIKCWSA-N 267.281 -0.236 10 10 CBCE C[C@]1(CNC(=O)c2cc(O)nc(O)c2)CNCCO1 2087023940 FITILTRVNSOWKL-GFCCVEGCSA-N 267.285 -0.399 10 10 CBCE N[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCOC1 2087728226 ZXBKFYQNRGBAHO-CYBMUJFWSA-N 266.297 -0.126 10 10 CBCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H]2COC[C@@H]12 2102179419 BLKFFFPEPBQPSL-AEJSXWLSSA-N 264.281 -0.104 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2136288300 UXYGLOCUHWZVEZ-GUQKDYTMSA-N 271.288 -0.218 10 10 CBCE C[C@H]1CNC[C@@H](CCNC(=O)c2cc(O)nc(O)c2)O1 2181157925 GMUZUPDJRDUZLA-WCBMZHEXSA-N 281.312 -0.010 10 10 CBCE CCN(Cc1nn[nH]n1)C(=O)c1cc(O)c(O)c(O)c1 2188874619 IYYIEIRTEOAULD-UHFFFAOYSA-N 279.256 -0.021 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC)cc1N 2225692774 BJTMPNRMCAPJBZ-UPJWGTAASA-N 268.313 -0.166 10 10 CBCE NCCCN(CCO)C(=O)c1cc(O)nc(O)c1 2255067864 DMMZEIOALGEKGX-UHFFFAOYSA-N 255.274 -0.724 10 10 CBCE CS(=O)(=O)Nc1ccc(NS(N)(=O)=O)cc1 128958562 QHRYKELYOZAXGN-UHFFFAOYSA-N 265.316 -0.327 10 10 CBCE C[C@H](NC(C(N)=O)C(N)=O)c1ccc(F)cc1O 695356772 YSAGFXGMUWCETM-YFKPBYRVSA-N 255.249 -0.479 10 10 CBCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CO)NC(N)=O 1135690608 WPWUIBSDRPRWMZ-LBPRGKRZSA-N 294.355 -0.260 10 10 CBCE CNC(=O)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1445178257 XFWGBAXDRCAPER-SSDOTTSWSA-N 252.270 -0.109 10 10 CBCE N[C@H]1CCO[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2091751194 JGEIDQCVPMKUPF-CABZTGNLSA-N 266.297 -0.127 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2COC[C@@H]2O)cc1 2097835059 PQEGQBYVALJVPM-CABZTGNLSA-N 266.297 -0.229 10 10 CBCE N[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C[C@H]1CO 2122380022 YPKQAHFBEGLTPN-VHSXEESVSA-N 266.297 -0.121 10 10 CBCE Nc1ccc(OCCC(=O)NCC(CO)CO)cc1 2123233971 KLXWFDIQQVPXGW-UHFFFAOYSA-N 268.313 -0.245 10 10 CBCE COc1cccc(O)c1CN[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O 2177946998 CDRLTYDSGRLVOY-KNJXUWEQSA-N 283.324 -0.407 10 10 CBCE C[C@@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(F)c1 2184137131 BBKGRCWKDHZARU-RDDDGLTNSA-N 280.303 -0.365 10 10 CBCE COC(=O)[C@@H](CO)NC(=O)CCOc1ccc(N)cc1 2191661583 INAHLQLCHIYTTE-LLVKDONJSA-N 282.296 -0.312 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1O 2289486812 AFWXHXYOGYUPHG-WAYYCVMKSA-N 282.340 -0.438 10 10 CBCE O=C1NCCN(Cc2ccccc2O)[C@@H]1C1CNC1 2351704673 OSBUPNDQQJTEPT-CYBMUJFWSA-N 261.325 -0.088 10 10 CBCE Cc1cc(NS(N)(=O)=O)ccc1NS(C)(=O)=O 129017867 PVZDBIIUDYPDRN-UHFFFAOYSA-N 279.343 -0.018 10 10 CBCE NC(=O)C1CN(c2cc3c(cc2N)OCC(=O)N3)C1 381920961 KOZPHCYBCWZGHH-UHFFFAOYSA-N 262.269 -0.479 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1C(=O)O 690086157 CRWJEMVTWMNIQZ-JGVFFNPUSA-N 282.252 -0.336 10 10 CBCE NC(=O)[C@@H]1CN(Cc2ccc(N)cc2)C[C@@H]1C(N)=O 693428007 FIFBHLOPXOHSBZ-PHIMTYICSA-N 262.313 -0.713 10 10 CBCE C[C@@H](ON)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 708672966 KRERULACPDYGMN-HTRCEHHLSA-N 284.268 -0.512 10 10 CBCE CC(=O)NCCNC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878433 BPVPRGYPHLHOFW-UHFFFAOYSA-N 289.299 -0.890 10 10 CBCE C[C@H](O)CNC(=O)CCN1C(=O)CSC1=S 1865765076 PAGNYSVRTXEELR-LURJTMIESA-N 262.356 -0.266 10 10 CBCE N[C@H](C(=O)NCc1ccccc1O)C1CS(=O)(=O)C1 1890696490 SUHFZGWZNDMUMM-NSHDSACASA-N 284.337 -0.620 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](O)C3)c2n1 2064683134 YYYKOEXSRHUZMT-MRVPVSSYSA-N 262.269 -0.050 10 10 CBCE O=C(N[C@H]1C(=O)NC[C@H]1C(=O)O)c1cccc(O)c1O 2144415703 LJMGAGZOUBIFGV-HTRCEHHLSA-N 280.236 -0.973 10 10 CBCE COc1cccc(O)c1CN1CCOC[C@@]1(CN)CO 2160723270 JTAFNTWXCCVJQY-CQSZACIVSA-N 282.340 -0.077 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1Cc1ccc(N)cc1 2218660830 AOMXZHRWXUMIFH-AGIUHOORSA-N 252.314 -0.179 10 10 CBCE Nc1ccc(NC(=O)N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2234106603 QFEYRIXWKWTIBZ-DGCLKSJQSA-N 281.312 -0.409 10 10 CBCE NCCCN(CCO)C(=O)c1cc(O)c(O)c(O)c1 2266402455 DBXAAKJUSKVQNB-UHFFFAOYSA-N 270.285 -0.413 10 10 CBCE OCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1 2289357581 IWRDSGPLRCYRLX-YDEJPDAXSA-N 289.278 -0.393 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2354482614 LFTFKCFBIAYEER-MSRLKIHKSA-N 278.308 -0.400 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1(CO)CCC1 122936013 MHEVFEHKIRTYPZ-JTQLQIEISA-N 280.324 -0.001 10 10 CBCE O=C1NC(=O)[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)N1 126647641 PWHNBWJKWJIWLF-ZDUSSCGKSA-N 291.263 -0.478 10 10 CBCE COC(=O)[C@@H](O)COC(=O)COc1ccc(N)cc1 311482780 RRVRXWWLVYRXAM-JTQLQIEISA-N 269.253 -0.275 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@@H]1CO)NC(=O)CO2 704708207 OEXFRYNYVAIVIG-SFYZADRCSA-N 279.296 -0.468 10 10 CBCE COC(=O)[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@H](C)O 707718683 HEXGNRSNYPJLMS-CDUCUWFYSA-N 270.241 -0.855 10 10 CBCE CN(C)C[C@H](N)CNC(=O)c1cccc(O)c1O 717338595 JBFQMJPQYWDXMA-MRVPVSSYSA-N 253.302 -0.284 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(CO)cc1C 720602739 SGFXGZOWWPPYDV-UHFFFAOYSA-N 279.340 -0.214 10 10 CBCE CNC(=O)CN(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 723182843 PBHMCZPFJROFSN-GFCCVEGCSA-N 262.313 -0.155 10 10 CBCE C[C@@H](c1ccc(O)cc1O)N1CC(N)(C(N)=O)C1 2047099082 OYXDEVKSJNAWEY-ZETCQYMHSA-N 251.286 -0.343 10 10 CBCE COC(=O)[C@@H](N)CCNC(=O)c1cc(O)nc(O)c1 2088535745 BRBKRGLGHCUJSV-ZETCQYMHSA-N 269.257 -0.887 10 10 CBCE O=C(N[C@@H]1CO[C@H]2CNC[C@H]12)c1cc(O)nc(O)c1 2121650253 PVHRICKHQDZGKV-HLTSFMKQSA-N 265.269 -0.791 10 10 CBCE CN(CC(CO)CO)C[C@@H](O)COc1ccc(N)cc1 2150414500 FNYQERHCYJJMQM-CYBMUJFWSA-N 284.356 -0.459 10 10 CBCE O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 2232550917 ZWQFPESCKBKRJO-SOCHQFKDSA-N 283.280 -0.193 10 10 CBCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1O 2234099519 DSWOBARASCTWID-FZZIBODNSA-N 282.340 -0.294 10 10 CBCE CC(=O)N[C@H](CCC(N)=O)C(=O)NCCCCN=[N+]=[N-] 2236149044 YBHZSKLQIBADCJ-SECBINFHSA-N 284.320 -0.037 10 10 CBCE Oc1nc(O)c(N=Nc2c(O)nc(O)nc2O)c(O)n1 2333201095 KUKOUHRUVBQEFK-UHFFFAOYSA-N 282.172 -0.084 10 10 CBCE CO[C@@H]1C[C@@H](N)CN(C(=O)c2cc(O)nc(O)c2)C1 2344617886 CIKPZSGOLAIANX-RKDXNWHRSA-N 267.285 -0.319 10 10 CBCE COC(=O)CCCCCNC=C1C(=O)NC(=S)NC1=O 49253032 WTEQMADABJDGOI-UHFFFAOYSA-N 299.352 -0.276 10 10 CBCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)CCS(=O)(=O)C1 90258854 CKKXNVHIKQNZTJ-MRVPVSSYSA-N 262.291 -0.082 10 10 CBCE CNC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1O 126519196 YTPVNEJCTBVEPG-VIFPVBQESA-N 280.280 -0.315 10 10 CBCE CC(CO)(CO)CN(CC(N)=O)Cc1ccc(N)cc1 380330486 RHRRQLMLMPNKEO-UHFFFAOYSA-N 281.356 -0.453 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC(=O)N1 387366038 WWAGSFLXBHVOHU-LURJTMIESA-N 251.242 -0.547 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@]12COC[C@@H]1C2 718027044 RTGKIHAJISUGDY-PKFCDNJMSA-N 278.308 -0.127 10 10 CBCE O=C1CN(C(=O)c2cc(O)c(O)c(O)c2)CCCN1 1148582883 OZFLRYDBXDAQEU-UHFFFAOYSA-N 266.253 -0.235 10 10 CBCE CC(C)(O)[C@H](O)C(=O)NCCc1ccc(O)c(O)c1 1445937966 LFZNRBHSZJVWNH-LLVKDONJSA-N 269.297 -0.112 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2CNC[C@H]2O)cc1 1876401377 NWFCDVWNTDPVOC-ZYHUDNBSSA-N 285.369 -0.732 10 10 CBCE O=C1Nc2cc(N3CC(CO)(CO)C3)ccc2[C@H]1O 1914980303 SOWIQNARXCZKCE-LLVKDONJSA-N 264.281 -0.537 10 10 CBCE CO[C@@H]1CCNC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2063976330 YBMGEXWVXQSRRW-QFOLPQNPSA-N 254.330 -0.124 10 10 CBCE C[C@@H](O)[C@@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2068620586 IQJGPTLSCADWHQ-VDTYLAMSSA-N 256.258 -0.759 10 10 CBCE Nc1ccc(NC(=O)NC[C@H]2CNC[C@H]2O)cc1 2071564592 AKRUCPNVKOJWMJ-LDYMZIIASA-N 250.302 -0.029 10 10 CBCE CNCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1 2090139168 PULNRZWLPHUJNW-KGLIPLIRSA-N 266.341 -0.036 10 10 CBCE Nc1ccc(CCC(=O)N[C@H]2CC(=O)NC2=O)cc1 2096081113 YFAINFLFCCSZGW-JTQLQIEISA-N 261.281 -0.267 10 10 CBCE COC1(C(N)=O)CN(CCOc2ccc(N)cc2)C1 2104903550 AKPGKHDULZGYLF-UHFFFAOYSA-N 265.313 -0.166 10 10 CBCE Nc1ccc(NC(=O)CN2CC3(CNC(=O)N3)C2)cc1 2177690763 BFVGJRZPESUYGF-UHFFFAOYSA-N 275.312 -0.426 10 10 CBCE Cc1cccc(CNC(=O)[C@@]2(O)CCNC[C@H]2O)c1O 2204622819 JFCCUHFBLMCDAJ-BXUZGUMPSA-N 280.324 -0.598 10 10 CBCE Nc1ccc(CN2CC[C@@](O)(CO)[C@H](O)C2)cc1 2218676085 BQSQUGUTLMXFPM-CHWSQXEVSA-N 252.314 -0.441 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1[C@@H](C)O 2269692794 VWXBXZGEZXECBI-IGJVIKARSA-N 267.325 -0.049 10 10 CBCE CC(=O)C(=O)[C@@H](O)c1c(P(C)(C)=O)cnn1C 2303352491 JUXNCWLYADTBLL-JTQLQIEISA-N 258.214 -0.140 10 10 CBCE COC(=O)[C@@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 1556126882 DZLGXBFHTXRYHF-ZDUSSCGKSA-N 283.280 -0.320 10 10 CBCE CN1C(=O)CN(NC(=O)Cc2ccc(O)c(O)c2)C1=O 1631985702 HIUUJWMXTQMBOQ-UHFFFAOYSA-N 279.252 -0.435 10 10 CBCE COc1ccc(N2CCOC[C@@]2(CN)CO)c(N)c1 1876260499 PQINWHJKCJIKRJ-CYBMUJFWSA-N 267.329 -0.196 10 10 CBCE [N-]=[N+]=NCCCCNS(=O)(=O)N1CC[C@H](O)C1 1912178356 MGIWSGFEOOTHFK-QMMMGPOBSA-N 263.323 -0.022 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2081037584 ZMMDXDJTTIVVDR-ZBPZKIAKSA-N 252.314 -0.391 10 10 CBCE COC[C@](O)(CO)CNCc1cccc(OC)c1O 2102399215 LKMZXGQVCRDSPH-CYBMUJFWSA-N 271.313 -0.140 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2104420978 GHGXOTZFOOKJPU-LRMGWDNHSA-N 266.253 -0.941 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H](CCO)C1 2116235209 ZPBVLHFZITUICZ-VIFPVBQESA-N 268.269 -0.284 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@]1(O)CCNC1 2126918123 POJLDXIPYYKXRE-CYBMUJFWSA-N 266.297 -0.519 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N(CCO)CCCO 2132349050 XOCLGZFYPVNLTJ-UHFFFAOYSA-N 271.269 -0.380 10 10 CBCE O=C1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CCN1 2132411376 USUHXURZCMBUMG-SSDOTTSWSA-N 266.253 -0.188 10 10 CBCE OCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2136282395 ASSOZIGYGBTLDT-SCVCMEIPSA-N 275.251 -0.640 10 10 CBCE COC(=O)[C@@H](N)CCNC(=O)Cc1ccc(O)c(O)c1 2144797871 DDUBQYXOJUJXDS-VIFPVBQESA-N 282.296 -0.353 10 10 CBCE CO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1CNC1 2172372316 PLAZTNRYZIXFLC-CYBMUJFWSA-N 280.324 -0.009 10 10 CBCE C[C@@H]1CNC(=O)CN1C[C@@H](O)COc1ccc(N)cc1 2181170865 GVHWOPTYAAKMCY-ZYHUDNBSSA-N 279.340 -0.171 10 10 CBCE NC(=O)C1(NC(=O)Nc2ccc(N)cc2)CCNCC1 2191524726 BTGNLLZBXPVFTB-UHFFFAOYSA-N 277.328 -0.002 10 10 CBCE COC(=O)CCS(=O)(=O)NCc1cc(N)ccc1O 49063114 UMCSSAQOISQRHS-UHFFFAOYSA-N 288.325 -0.043 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1cc(O)ccc1O 83397878 DZTOZYLVOZGMJP-SNVBAGLBSA-N 254.242 -0.613 10 10 CBCE O=C(O)CNC[C@H]1NCCc2ccc(O)c(O)c21 83724583 PNSXVEJWSYHXPS-MRVPVSSYSA-N 252.270 -0.041 10 10 CBCE NC(=O)[C@@H]1COCCN1S(=O)(=O)Cc1ccc(N)cc1 158767751 OYEMTPXOVZFPDO-NSHDSACASA-N 299.352 -0.715 10 10 CBCE C[C@@H]1C(=O)NCCN1C[C@@H](O)COc1ccc(N)cc1 216384813 PEFTZEQGGZJDEP-ZYHUDNBSSA-N 279.340 -0.171 10 10 CBCE COC(=O)[C@]1(c2ccccc2O)COCC(=O)N1 261360040 YRQUZGHZBHYEPZ-GFCCVEGCSA-N 251.238 -0.093 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)CC(N)=O 302395523 VNWINWGRTXPZEC-VIIUKITBSA-N 269.326 -0.170 10 10 CBCE NC(=O)[C@]1(O)CCN(CCOc2ccc(N)cc2)C1 389194132 PKYDDZBXFBEKCT-ZDUSSCGKSA-N 265.313 -0.430 10 10 CBCE COc1ccc(N2CC[C@H](NC(=O)C3(O)CNC3)C2)cc1 852900841 SUMLXYJUQPMPGZ-NSHDSACASA-N 291.351 -0.276 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)C[C@@H]1CO 1148589686 HBIOZBWBRHXPGU-HTQZYQBOSA-N 269.253 -0.629 10 10 CBCE C[S@@](=O)(=NC(=O)c1cc(O)nc(O)c1)C1CNC1 1924619369 GCOASIUQPFYBIR-SFHVURJKSA-N 271.298 -0.297 10 10 CBCE C[C@]1(CO)COCCN1C(=O)c1cc(O)nc(O)c1 2112714251 VTUUXBJJULPUSM-LBPRGKRZSA-N 268.269 -0.284 10 10 CBCE Nc1ccc(CCC(=O)N2NC(=O)C[C@@H]2C(=O)O)cc1 2144373155 LZDREZFXCQGANX-SNVBAGLBSA-N 277.280 -0.082 10 10 CBCE CN1C(=O)C[C@@H](OC(=O)COc2ccc(N)cc2)C1=O 2152383858 ARRSGQFJGFCKJZ-SNVBAGLBSA-N 278.264 -0.052 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(CC(=O)c3ccc(O)c(O)c3)C[C@H]21 2201295575 CAHSDZBNJLFFJY-WOFXILAISA-N 276.292 -0.056 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@@H](O)[C@@H]1CF 2205598761 GVZOWXUIDQEEBY-QWRKXWFKSA-N 285.271 -0.458 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(N)c1 2311713066 UNXRSNAMZIXFQQ-TUAOUCFPSA-N 254.286 -0.820 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)[C@H](O)C3)c(Cl)cc2[C@H]1O 2328977480 ZATYZSSGLRWTEF-GMTAPVOTSA-N 284.699 -0.133 10 10 CBCE O=C1Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)c(F)cc2[C@@H]1O 2356918349 KCWKKNVRQUFZEP-WOPDTQHZSA-N 282.271 -0.257 10 10 CBCE Nc1ccc(OCCC(=O)NCc2nnn[nH]2)cc1 44884935 SBTOZDANZFTIRR-UHFFFAOYSA-N 262.273 -0.133 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1S(=O)(=O)Cc1ccc(N)cc1 97290321 YHDVFFAJARFSBQ-QMMMGPOBSA-N 297.336 -0.555 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 693463134 QBEUXAHSAUFXJZ-UWJYBYFXSA-N 277.324 -0.237 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)C[C@H]2CO)cc1 698226859 IEXCQDYEMSXIQN-NWDGAFQWSA-N 265.313 -0.365 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@H]2O)c1 895686560 DQMKTVRGEBMSOE-ZYHUDNBSSA-N 271.338 -0.052 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1912166819 CDCZAQCKOFWGQX-SECBINFHSA-N 289.361 -0.126 10 10 CBCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@H]1CCS(=O)(=O)C1 1912177962 IWCDVZSQSQKIAH-WPRPVWTQSA-N 289.361 -0.045 10 10 CBCE O=S(=O)(Nc1ccc(O)cc1F)N1CC(O)C1 1914116301 ABNPXPVDYZZFSR-UHFFFAOYSA-N 262.262 -0.136 10 10 CBCE O=C(NC1(CO)CC(O)C1)c1cccc(O)c1O 2073623118 XUOFBVPGHMGCLC-UHFFFAOYSA-N 253.254 -0.287 10 10 CBCE O=C(O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2144031387 ZANWDAYVUYWSDF-IUCAKERBSA-N 281.264 -0.313 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@H]1C[C@H]1CO 2174276195 RRHBWJUIRFLVMJ-VWYCJHECSA-N 280.324 -0.288 10 10 CBCE O=C1NC[C@]2(CCN(C(=O)c3cccc(O)c3O)C2)N1 2177674364 YCZLFZYCUIYMMF-ZDUSSCGKSA-N 277.280 -0.005 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@]1(O)CCNC[C@H]1O 2197490823 SEJLBTQZDLHRRQ-TZMCWYRMSA-N 280.324 -0.564 10 10 CBCE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1c(N)cccc1C(N)=O 2207462059 TYITWDASHFBJPK-VHSXEESVSA-N 299.352 -0.408 10 10 CBCE O=C(NC1CNCCNC1)c1cc(O)c(O)c(O)c1 2272024903 SYIFZGOIWNESGA-UHFFFAOYSA-N 267.285 -0.905 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@H](CO)C3)ccc21 2289403891 KOUWZAGQLZSJMX-PUPMMZHASA-N 278.352 -0.217 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H](O)CO)cc1 90282111 POPRFZXIYOKJNK-JTQLQIEISA-N 260.315 -0.959 10 10 CBCE COC(=O)C(NCc1cc(O)ccc1O)C(=O)OC 106305295 DXROFBHVCIEHMU-UHFFFAOYSA-N 269.253 -0.098 10 10 CBCE CO[C@H]1CNC[C@@H]1NC(=O)c1ccc(O)c(O)c1 234895540 LXXGOYLHJISPHR-KWQFWETISA-N 252.270 -0.186 10 10 CBCE COCC1(O)CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 384163950 RZNJTLXNUWGOAU-NSHDSACASA-N 263.297 -0.164 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCNC2)C1 717434262 DRDAKCFYDXBCAE-CYBMUJFWSA-N 279.296 -0.303 10 10 CBCE [N-]=[N+]=NCCOCCOCCOC[C@H](N)C(=O)O 888086882 BHNVZMHTTIZOKQ-QMMMGPOBSA-N 262.266 -0.242 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](N)C[C@@H](O)C2)cc1 1876529261 MEFDDMOXEQVLIU-VXGBXAGGSA-N 285.369 -0.508 10 10 CBCE Nc1ccc(CN2CC[C@@](O)(C(=O)O)[C@H](O)C2)cc1 1891270282 RANHYLFMTJVMCZ-YPMHNXCESA-N 266.297 -0.349 10 10 CBCE COC[C@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2068625604 ZONGDHUXOJCZPY-ZETCQYMHSA-N 256.258 -0.493 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O 2121476648 WTICHQOPZLAINV-IMJCEVDSSA-N 267.325 -0.107 10 10 CBCE O=C(N[C@@H]1CO[C@H]2CNC[C@H]12)c1cccc(O)c1O 2121654776 WCYGZRXJXJICSX-KKZNHRDASA-N 264.281 -0.186 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2136336364 LZCVVIWFPNHQEW-VFFVRTRHSA-N 270.304 -0.252 10 10 CBCE CNCc1ccc(N2CC(=O)NC(=O)C2)cc1OC 2139688174 PUAZWSLKEONWLK-UHFFFAOYSA-N 263.297 -0.123 10 10 CBCE N[C@]1(C(=O)O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 2144019144 LWJZDQWXCXQAFJ-CYBMUJFWSA-N 280.280 -0.345 10 10 CBCE O=C(O)[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 2144031064 VRJPOAGRGCBSPW-SECBINFHSA-N 281.264 -0.048 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@H](O)C3)c(F)cc2[C@@H]1O 2183270113 ZANJKAMFQWJERJ-WSFZALMZSA-N 282.271 -0.257 10 10 CBCE CN(C)[C@@H]1COC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926692 AOWUNHNEKJILCU-RKDXNWHRSA-N 282.296 -0.138 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2[C@H]3OCC[C@H]3[C@H]2N)cc1 2191748332 UENRVKOVUWEUBM-ASEORRQLSA-N 277.324 -0.122 10 10 CBCE COc1ccc(N2CCOC[C@H]2C(N)=O)c(CO)c1 2227708854 NBWNSRBFRJSNAB-LBPRGKRZSA-N 266.297 -0.122 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)Cc1ccc(N)cc1 2233873917 QPKRLIIQOOZBKO-DYEKYZERSA-N 280.324 -0.610 10 10 CBCE O=C1NCCN(Cc2ccccc2O)[C@H]1C1CNC1 2351704674 OSBUPNDQQJTEPT-ZDUSSCGKSA-N 261.325 -0.088 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@H]4O)ccc21 2354482062 FYEJNLNZKAFQLV-DTIXRPGASA-N 275.308 -0.431 10 10 CBCE C[C@H]1C(=O)NCCN1c1cc2c(cc1N)OCC(=O)N2 110658154 IMKGKEFNSBIWLQ-ZETCQYMHSA-N 276.296 -0.076 10 10 CBCE Nc1ccc(NC(=O)CN2CCOC[C@@H]2CO)cc1 167973228 NYMLASVFIXPVDF-LBPRGKRZSA-N 265.313 -0.100 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCc2nc(=O)o[nH]2)cc1 392281788 IGFOMARLQANJBR-UHFFFAOYSA-N 298.324 -0.393 10 10 CBCE COC[C@@H](ONC(=O)Cc1ccc(N)cc1)C(=O)O 709721564 GKTLGFGZLHDQDH-SNVBAGLBSA-N 268.269 -0.041 10 10 CBCE CC1(NS(=O)(=O)CCOc2ccc(N)cc2)CNC1 1876414073 PULQJGFKQOJXEG-UHFFFAOYSA-N 285.369 -0.071 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](O)C[C@@H](O)C2)cc1 2105114454 VWHAZCBYVFRAJU-TXEJJXNPSA-N 265.313 -0.365 10 10 CBCE Oc1c(F)cc(F)cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2108826149 SNWRISYNRDUZDG-QCZKYFFMSA-N 275.251 -0.385 10 10 CBCE O=C(N[C@@H]1CCNC[C@H]1CO)c1ccc(O)c(O)c1 2116265034 IPUQMKABQKBTGI-VHSXEESVSA-N 266.297 -0.202 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN[C@@H]2COC[C@H]21 2132579025 JJTBUZPFHKCWLA-RKDXNWHRSA-N 265.269 -0.694 10 10 CBCE O=C(N[C@]1(CO)CCNC1)c1cc(O)c(O)c(O)c1 2133569334 IZOVYKAMRYLGJF-GFCCVEGCSA-N 268.269 -0.742 10 10 CBCE COc1cc(C(=O)N[C@H](CN)CN(C)C)cc(OC)n1 2166942602 LXMBKXJJXOUELI-SNVBAGLBSA-N 282.344 -0.283 10 10 CBCE CN(c1cc2c(cc1N)OCCO2)[C@H]1CC(=O)NC1=O 2171202823 MCBULOLYXFCSOU-VIFPVBQESA-N 277.280 -0.109 10 10 CBCE N[C@]1(CO)CCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188917870 AFHIPNFEZOOQOY-CYBMUJFWSA-N 282.296 -0.271 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CN)c(F)c1 2225701112 OKQOTHSLFKPTPL-FRRDWIJNSA-N 270.304 -0.159 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1C 2312398157 FQNGFAWVIACQAT-WZRBSPASSA-N 253.298 -0.094 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2COC[C@H]2O)cc1 323542489 NGSPPDYMTIDJOT-NWDGAFQWSA-N 266.297 -0.086 10 10 CBCE O=C(NCc1cccc(O)c1O)[C@H]1CCS(=O)(=O)N1 1176576993 XAJHRSUINOXXET-MRVPVSSYSA-N 286.309 -0.594 10 10 CBCE COC(=O)C1(NC(=O)Nc2ccc(N)cc2)CNC1 1876153584 VPGYZBOBYHZAKM-UHFFFAOYSA-N 264.285 -0.095 10 10 CBCE C[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@H](O)C(=O)O 2056769462 SJVNSYNIDRDWCV-VHWMUFPASA-N 256.214 -0.943 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](CO)C2)ccc1CO 2084015459 FSYZROOORNNIEN-PWSUYJOCSA-N 253.298 -0.023 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 2123488065 HGKVACSXSKWTCC-IUCAKERBSA-N 268.269 -0.285 10 10 CBCE CN(C[C@@]1(O)CCNC1)C(=O)Cc1ccc(O)c(O)c1 2144024550 MQMOXPROVGOSQE-CQSZACIVSA-N 280.324 -0.177 10 10 CBCE O=C1CNC(=O)N1CCn1ccc2c(c1=O)CNCC2 2150798499 UXNNYIKBBFUMOY-UHFFFAOYSA-N 276.296 -0.954 10 10 CBCE O=C(N[C@H]1CCOC[C@@H]1C(=O)O)c1cc(O)nc(O)c1 2176119523 CAOWSGAOBUCLAV-YUMQZZPRSA-N 282.252 -0.288 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H](O)CCN1 2177464838 IKODGSGQBCENCT-QWRGUYRKSA-N 280.324 -0.131 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@H](O)[C@@H](O)C1 2188680806 MWFVDCKDFJCTFP-AVGNSLFASA-N 277.324 -0.153 10 10 CBCE O=C(NCCO[C@H]1CCNC1)c1cc(O)c(O)c(O)c1 2188911944 GUAJZASSJYAHRR-VIFPVBQESA-N 282.296 -0.088 10 10 CBCE O=C(N[C@]1(CO)CCCNC1)c1cc(O)c(O)c(O)c1 2188917990 AZBIEZYHTIKCLW-CYBMUJFWSA-N 282.296 -0.352 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNC[C@H]2CO)cc1 2191785276 YFZRDWXNWJPJAQ-AAEUAGOBSA-N 299.396 -0.341 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](O)[C@H]1CF)OCCO2 2205598561 FSTWVDHGEZJZIJ-NRUUGDAUSA-N 284.287 -0.080 10 10 CBCE Nc1ccc(CNS(=O)(=O)N2CCOCC2)cc1 36288653 SSOPZWKFWLWXGN-UHFFFAOYSA-N 271.342 -0.065 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@H](N)CC(N)=O)cc1 40825923 NBKDPGWFFFXOTQ-LLVKDONJSA-N 264.329 -0.429 10 10 CBCE O=C1NC(=S)NC(=O)C1=CNCCCN1CCCC1=O 48392256 LDMMKQABSUONCN-UHFFFAOYSA-N 296.352 -0.997 10 10 CBCE Cn1c(O)nnc1CNCc1ccc(O)c(O)c1O 692241409 UGHJHHBMBFICHC-UHFFFAOYSA-N 266.257 -0.073 10 10 CBCE NC(=O)N[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 700632563 BNLNYXQMLJGDQG-SSDOTTSWSA-N 265.269 -0.019 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)C[C@H]2CO)cc1 704706301 NNLRTUHWESONCI-RYUDHWBXSA-N 250.298 -0.235 10 10 CBCE Cc1ccc(O)c([C@H](C)NC(C(N)=O)C(N)=O)c1 710058534 VXLGJDIFRURGFL-ZETCQYMHSA-N 251.286 -0.310 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(C(N)=O)C3)cc21 723167248 JKLVLZUJJNCKHT-NSHDSACASA-N 260.297 -0.416 10 10 CBCE NC[C@H]1COC[C@@H]1NC(=O)c1ccc(O)c(O)c1 2029839879 CMNZIGWREUCCCL-IUCAKERBSA-N 252.270 -0.199 10 10 CBCE O=S1(=O)C[C@H]2NCCN(Cc3ccc(O)cc3O)[C@H]2C1 2143719806 MYCJOZKRTIGQPO-NEPJUHHUSA-N 298.364 -0.331 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C(=O)NC[C@H]2C(=O)O)cc1 2144406815 QFHKKSPCQROULY-KOLCDFICSA-N 277.280 -0.873 10 10 CBCE O=c1c2c(ccn1C[C@@H](O)CN1CCCC1)CCNC2 2150799773 KJGXPQUGHCYDQS-ZDUSSCGKSA-N 277.368 -0.049 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H]3NC(=O)O[C@H]3C2)cc1 2176928611 UFCUTGONMORWRG-QWRGUYRKSA-N 276.296 0.000 10 10 CBCE COc1ccc(N2CCC(O)(C(N)=O)CC2)c(CN)c1 2235966151 OGSYJOMQESHVTE-UHFFFAOYSA-N 279.340 -0.030 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@@H](O)[C@H]1O 2289358950 YBFXAEXHTRJWRB-QOWREQOWSA-N 279.336 -0.184 10 10 CBCE C[C@H](O)CNS(=O)(=O)CCOc1ccc(N)cc1 70490601 AXVMLRNTSDDZLY-VIFPVBQESA-N 274.342 -0.052 10 10 CBCE O=C(O)CNC[C@@H]1NCCc2cc(O)c(O)cc21 83724589 GZOIUYQUTKPWMW-VIFPVBQESA-N 252.270 -0.041 10 10 CBCE NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 103479374 FZCVHZCDJWBJOH-WDEREUQCSA-N 299.352 -0.981 10 10 CBCE CN(C)C(=O)[C@@H]1CNCCN1C(=O)c1cccc(O)c1O 126692170 MNTOORCDPVMPOU-JTQLQIEISA-N 293.323 -0.400 10 10 CBCE CS(=O)(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169911910 QXTMLJUCTKJVKJ-UHFFFAOYSA-N 290.297 -0.918 10 10 CBCE CC(=O)N1CCN(C(=O)c2cc(O)nc(O)c2)CC1 170223112 POVWTIGNBLCMNT-UHFFFAOYSA-N 265.269 -0.203 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3C[C@H](O)[C@H](O)C3)cc21 300144238 XYBQCGYFWKILBM-TUAOUCFPSA-N 263.297 -0.795 10 10 CBCE C[C@@H]1OCCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1C(=O)O 328108442 IPTWMLSMQZVBCE-WKEGUHRASA-N 282.252 -0.193 10 10 CBCE NC(=O)C1CN(C(=O)CCOc2ccc(N)cc2)C1 381877754 CPQMGZWMLQVHAA-UHFFFAOYSA-N 263.297 -0.019 10 10 CBCE CN(C)C[C@@H](CO)NCc1ccc(O)c(O)c1O 716722380 SSHUHNAHZKZQAW-VIFPVBQESA-N 256.302 -0.185 10 10 CBCE CN[C@H]1CCOC[C@@H]1NC(=O)c1cc(O)nc(O)c1 721624761 RYGGDYRCIWDIKM-IUCAKERBSA-N 267.285 -0.401 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1CNCCS1(=O)=O 1343541175 GOUGBULLBNSNLR-NSHDSACASA-N 284.337 -0.605 10 10 CBCE C[C@@H](N)c1ccc(N2CC(O)(C(N)=O)C2)cc1O 1915248740 LPMRGRDWTMFFFG-SSDOTTSWSA-N 251.286 -0.552 10 10 CBCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)C1(O)CNC1 1918697684 SBLGHPDBOUVZRU-SSDOTTSWSA-N 252.270 -0.450 10 10 CBCE Cn1[nH]c(=O)c(=O)nc1Sc1ncc(CN)s1 1949579561 GNSMIPWCQLIINU-UHFFFAOYSA-N 271.327 -0.465 10 10 CBCE CN(C)Cc1cc([C@@H](O)[C@@H](N)C(=O)O)ccc1O 1952357649 WGAKLYHHGSNYSU-GHMZBOCLSA-N 254.286 -0.101 10 10 CBCE Nc1ccc(CC(=O)N2CCN[C@H](CCO)C2)cc1 1967033102 SQULAKDHBBBIMK-CYBMUJFWSA-N 263.341 -0.006 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](O)[C@@H](O)C1 2132348743 RIZVDDXHIVIAJM-XVKPBYJWSA-N 269.253 -0.629 10 10 CBCE NC(=O)COC1CN(CC(=O)Nc2ccc(N)cc2)C1 2145376717 FPVZEXAMRFWQAP-UHFFFAOYSA-N 278.312 -0.607 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](O)C[C@H](O)C1 2161393443 ITOOEZXQHZYDJN-KWBADKCTSA-N 277.324 -0.153 10 10 CBCE CC[C@@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2184141521 QWBDUUMHKFMQPD-NEPJUHHUSA-N 276.340 -0.114 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@H]2COC[C@H]21 2188873825 AKCWHQCEISKZAN-RNSXUZJQSA-N 281.264 -0.365 10 10 CBCE C[C@H](N)c1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2201035427 JJDJHRMPZOQAMB-XENVIUNCSA-N 288.294 -0.113 10 10 CBCE O=C(c1cccc(O)c1O)N1CCNCCNCC1 2208784402 XGUHTOLMIGJVJD-UHFFFAOYSA-N 265.313 -0.267 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CO)c(OC)c1 2233880897 ZOBDXETXIZCSAK-MBNYWOFBSA-N 283.324 -0.256 10 10 CBCE CN1CCc2cc(N3CC[C@@](O)(CO)[C@H](O)C3)ccc21 2235116374 VTAOIUMRUVIMOF-HUUCEWRRSA-N 278.352 -0.027 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@@H]2[C@@H](O)CO)cc1 2270714948 NBMTYHMYQWIBFQ-NEPJUHHUSA-N 265.313 -0.365 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2289411019 LIIJTHUEAFGHFF-QEJZJMRPSA-N 280.368 -0.153 10 10 CBCE CNC(=O)[C@@H]1CNCCN1Cc1cccc(OC)c1O 89082897 JIMUJWSDYHFLKO-NSHDSACASA-N 279.340 -0.079 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@H](O)[C@@H](O)C2)cc1 236375863 MWXZIPSZSBCPOM-WXHSDQCUSA-N 268.313 -0.954 10 10 CBCE O=C1CSC[C@@H](C(=O)NCc2c(O)cccc2O)N1 1652629134 XOJNYGULDMMXFD-QMMMGPOBSA-N 282.321 -0.054 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@@H](N)C2)cc1 1876529258 MEFDDMOXEQVLIU-NEPJUHHUSA-N 285.369 -0.508 10 10 CBCE NC[C@@H]1C[C@H](O)CN1c1cc2c(cc1N)OCCO2 1876553536 MZYSAEGDUQPQOI-IUCAKERBSA-N 265.313 -0.062 10 10 CBCE N[C@H]1[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]12 2068620407 HOXMFQLIMRMNSC-MTBHXBHISA-N 250.254 -0.168 10 10 CBCE C[C@](O)(CCO)CNC(=O)Cc1ccc(O)c(O)c1 2107432270 YTHNJDGAJIMXOO-ZDUSSCGKSA-N 269.297 -0.110 10 10 CBCE O=C(CN1C[C@@H](CO)C[C@@H]1CO)c1ccc(O)c(O)c1 2146128581 ZLDVZRFSAPLKTJ-GXSJLCMTSA-N 281.308 -0.044 10 10 CBCE COCCOC[C@@H](O)Cn1ccc2c(c1=O)CNCC2 2155677198 AYSIZQGQOZPPIV-LBPRGKRZSA-N 282.340 -0.482 10 10 CBCE OCc1ccc(N2CCN(C[C@H](O)CO)CC2)c(F)c1 2178035404 PWXKAQTWCMTCPE-LBPRGKRZSA-N 284.331 -0.207 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@H]1CO)NC(=O)CO2 2191552627 NBBXIVMQNPGXTQ-QMMMGPOBSA-N 278.312 -0.630 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4NC(=O)O[C@@H]4C3)ccc21 2355585745 CIFVWDMLFAWHCL-HBNTYKKESA-N 274.280 -0.065 10 10 CBCE CNC(=O)CNS(=O)(=O)Cc1ccc(N)cc1 37224607 KIZWCLJPFSNYKO-UHFFFAOYSA-N 257.315 -0.566 10 10 CBCE C[C@H](O)[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 40470892 SMRWZPNQQUTLPQ-WRWORJQWSA-N 252.270 -0.239 10 10 CBCE CO[C@H](CNC(=O)c1cc(O)nc(O)c1)C(=O)O 227263717 FDRNNZVFIBHKBX-ZCFIWIBFSA-N 256.214 -0.678 10 10 CBCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CC(=O)N2CCC[C@@H]21 302341678 OKRUBFKKDLYGAF-LDYMZIIASA-N 266.305 -0.105 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 316314164 BJNJRMPYIAVSNQ-CMPLNLGQSA-N 286.353 -0.616 10 10 CBCE NC(=O)[C@@H]1CNCCN1Cc1cc(F)cc(F)c1O 708494685 NWMDKEGIXRAUOK-JTQLQIEISA-N 271.267 -0.071 10 10 CBCE COC(=O)[C@]1(NC(=O)c2cccc(O)c2O)C[C@@H](O)C1 1175633855 NMGQRBJJPFNANO-PPRHIFSWSA-N 281.264 -0.106 10 10 CBCE Cc1nn(CC(=O)NCc2cccc(O)c2O)c(=O)n1C 1558162207 WHRBRMCZRTZJMB-UHFFFAOYSA-N 292.295 -0.382 10 10 CBCE COc1cccc(CNC(=O)[C@H](CO)NC(N)=O)c1O 1631540558 WAZRYWXCHGQSAZ-QMMMGPOBSA-N 283.284 -0.954 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1CN 2081034143 GADQZWYVFGWBQN-FRRDWIJNSA-N 252.314 -0.644 10 10 CBCE COc1cc(N2CC(=O)NC(=O)C2)ccc1CO 2084016861 NTTXAJHUUKMXSP-UHFFFAOYSA-N 250.254 -0.350 10 10 CBCE Cc1cccc(CNS(=O)(=O)N2CC(N)C2)c1O 2084064851 UHZCTDQXSPBYPJ-UHFFFAOYSA-N 271.342 -0.322 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1F 2090137509 ZOUUPJFHJAKNCY-OLZOCXBDSA-N 270.304 -0.157 10 10 CBCE NC(=O)[C@@H]1C[C@@H](N)CN(Cc2ccc(O)cc2O)C1 2094663370 RVGGPHLPONTJQA-NXEZZACHSA-N 265.313 -0.268 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CCN1Cc1ccccc1O 2136388585 QFUCRHXUPFBETH-SRVKXCTJSA-N 267.281 -0.227 10 10 CBCE Nc1ccc(OCCNC(=O)[C@H]2CNC(=O)C2)cc1 134902450 QKESTEZDURLTGM-SECBINFHSA-N 263.297 -0.100 10 10 CBCE O=C(O)CS(=O)(=O)CCNCc1ccccc1O 310848268 ACLQQSJPLHGPMU-UHFFFAOYSA-N 273.310 -0.019 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@@](O)(CO)C2)cc1 313651809 RZXZMNXKQZRHRE-ZDUSSCGKSA-N 265.313 -0.364 10 10 CBCE COc1cc(N)c(N2CC[C@](O)(C(N)=O)C2)cc1OC 383532517 BISOSBOXFYMZQK-CYBMUJFWSA-N 281.312 -0.288 10 10 CBCE NC(=O)[C@H]1CN(c2ccc(CO)cc2Cl)C[C@@H]1C(N)=O 693376860 ARJNMTZOPXMBGH-IUCAKERBSA-N 297.742 -0.145 10 10 CBCE CC(=O)C(=O)COC(=O)CNC(=O)c1cccc(O)c1 808539303 ZBJVVYPHZQCUAW-UHFFFAOYSA-N 279.248 -0.177 10 10 CBCE Cn1[nH]cnc1=NC(=O)c1cc(O)c(O)c(O)c1 1148581175 NVNCZXWMAQVRAX-UHFFFAOYSA-N 250.214 -0.394 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 1912173151 ZGJFXNRXDCKUJQ-MRVPVSSYSA-N 261.307 -0.052 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CNCCO1 1968739865 XXKWEVBJRAKOTN-GFCCVEGCSA-N 266.297 -0.255 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@H](CN)CO)cc1 2067735868 QLQPTWKCEBSLDL-LLVKDONJSA-N 251.330 -0.064 10 10 CBCE Cn1[nH]c(=NCCc2ccc(O)c(O)c2)nc1CO 2116557845 RMRDVIICVQTKFO-UHFFFAOYSA-N 264.285 -0.205 10 10 CBCE O=C(NCCn1cncn1)c1cc(O)c(O)c(O)c1 2132349422 CVOSUNIPEFNDKU-UHFFFAOYSA-N 264.241 -0.175 10 10 CBCE COc1cc(N2CC(OC)(C(N)=O)C2)ccc1CN 2139682225 DZKACSYZNDDKAY-UHFFFAOYSA-N 265.313 -0.156 10 10 CBCE NC(=O)C1[C@H]2CN(C(=O)COc3ccc(N)cc3)C[C@H]12 2201314375 XIPSHFXXELBBEC-QWRGUYRKSA-N 275.308 -0.163 10 10 CBCE Nc1ccc(O)c(CN2CC[C@@](O)(CO)[C@H](O)C2)c1 2225732534 LQMMMWNTCNURGD-CHWSQXEVSA-N 268.313 -0.736 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2289331790 QWISUTYYJHIGEH-QWRKXWFKSA-N 288.294 -0.426 10 10 CBCE CNCc1ccc(N(CC(N)=O)CC(N)=O)c(C)c1 61808256 ZMGMMCJAMCYOHP-UHFFFAOYSA-N 264.329 -0.509 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCNC(=O)CC2)cc1 62099630 VBMGRQTWIKQZEA-LBPRGKRZSA-N 279.340 -0.170 10 10 CBCE N[C@H](c1nnc([C@@H](O)CO)o1)c1cc(O)ccc1O 83494132 MQSCHIRTSLBRQX-IUCAKERBSA-N 267.241 -0.445 10 10 CBCE Cc1cccc([C@@H](N)C(=O)NCCOCCO)c1O 83497397 MHMRBXSXTXTFEG-LLVKDONJSA-N 268.313 -0.174 10 10 CBCE CN1CCN(CC(=O)Nc2ccc(N)cc2)[C@H](CO)C1 699463745 RNVISDBBCWZBGR-ZDUSSCGKSA-N 278.356 -0.184 10 10 CBCE Nc1ccc(CN2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1 1892781250 SWEKLHGNWVLTLW-NSHDSACASA-N 284.337 -0.048 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NCc1ccc(O)c(O)c1 2053779295 GJNDEIYFMNWGMP-LDYMZIIASA-N 252.270 -0.170 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)CCCO 2090384845 LGBQZVZXNLNMIH-JTQLQIEISA-N 269.297 -0.110 10 10 CBCE CN1CCc2cc([C@H](N)C3(O)CS(=O)(=O)C3)ccc21 2106856223 XAIISFBNFKQVAX-LBPRGKRZSA-N 282.365 -0.162 10 10 CBCE O=C1N[C@@H]2CN(C(=O)c3cc(O)nc(O)c3)C[C@@H]2O1 2120408267 XEQIVTQRLHGFMW-RQJHMYQMSA-N 265.225 -0.574 10 10 CBCE O=C(NC[C@@]1(O)CCNC1)c1cc(O)c(O)c(O)c1 2132408175 UYRBXDFXWNCPOG-GFCCVEGCSA-N 268.269 -0.742 10 10 CBCE COCC1(CNS(=O)(=O)Cc2ccc(N)cc2)CNC1 2191626118 PRGVMXSNOKCPER-UHFFFAOYSA-N 299.396 -0.076 10 10 CBCE C[C@@]1(O)CN(C(=O)COc2ccc(N)cc2)CC[C@H]1O 2201508249 RAFSEQQGWFQRTR-TZMCWYRMSA-N 280.324 -0.008 10 10 CBCE CN1C[C@@H](Cn2ccc3c(c2=O)CNCC3)OC1=O 2228428965 IXGITYHREOGZDM-JTQLQIEISA-N 263.297 -0.055 10 10 CBCE Nc1ccc(OCCN2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2289415491 XBUCUWGMLNOHII-SWHYSGLUSA-N 282.340 -0.707 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H](O)[C@@H](O)[C@H]2CF)c1 2311998247 ASSBYMAIVBFAQA-JLLWLGSASA-N 256.277 -0.150 10 10 CBCE Cn1cc([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)[nH]c1=O 111427374 UTJZDXBVQJNTHL-FXQIFTODSA-N 267.245 -0.425 10 10 CBCE CC(C)(O)[C@@H](O)C(=O)NCc1cccc(O)c1O 1303194457 CCIASFQJNIQGKT-JTQLQIEISA-N 255.270 -0.154 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC(OCCO)C1 2034840754 CYXAEBSLGSPFGG-UHFFFAOYSA-N 253.254 -0.069 10 10 CBCE NC1CC(O)(CNC(=O)c2cc(O)nc(O)c2)C1 2045134379 CMQOCFGZUCRAKE-UHFFFAOYSA-N 253.258 -0.925 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2C[C@H](O)C[C@H]2O)cc1 2108798722 DTVWPULZGDKRNE-MVWJERBFSA-N 266.297 -0.352 10 10 CBCE N[C@H]1C[C@H](O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 2111799446 BTFRMSUNZJDPHM-UWVGGRQHSA-N 266.297 -0.439 10 10 CBCE CN1CCO[C@H](C(=O)NCc2cc(N)ccc2O)C1 2131261989 RFGQFEFFFSFCMF-LBPRGKRZSA-N 265.313 -0.079 10 10 CBCE CN1C[C@H](N)[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132419810 WQSRFKNTGDABJA-JGVFFNPUSA-N 267.285 -0.826 10 10 CBCE COC1(CO)CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C1 2157304758 ULMMUGALUJITFX-GFCCVEGCSA-N 277.324 -0.140 10 10 CBCE O=C1NCC2(CN(c3ccc4c(c3)NC(=O)[C@@H]4O)C2)N1 2177667646 BUEUGUOTMGOZSC-SNVBAGLBSA-N 274.280 -0.456 10 10 CBCE CN1C(=O)C(=CNCCCN2CCCC2)C(=O)N(C)C1=O 52536884 GLNXPVOZIBECIT-UHFFFAOYSA-N 294.355 -0.004 10 10 CBCE O=C(O)CNC[C@@H]1NCCc2ccc(O)c(O)c21 83724585 PNSXVEJWSYHXPS-QMMMGPOBSA-N 252.270 -0.041 10 10 CBCE CN(CCc1nnn[nH]1)C(=O)COc1ccc(N)cc1 95313920 XSMSASGUFJGXAP-UHFFFAOYSA-N 276.300 -0.138 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)[C@H]1COC[C@@H]1O 709383703 KOSAJIXDDFQXBV-RYUDHWBXSA-N 265.313 -0.101 10 10 CBCE Nc1n[nH]c(CCNC(=O)Cc2ccc(O)c(O)c2)n1 1556902517 MLEPOUOWNFPCNZ-UHFFFAOYSA-N 277.284 -0.301 10 10 CBCE Cn1nncc1C1(O)CN(C(=O)c2cccc(O)c2O)C1 1643451198 QQOKWDKMCXMFAU-UHFFFAOYSA-N 290.279 -0.430 10 10 CBCE O=C(O)C1([C@@H](O)c2ccc(O)c(O)c2O)CNC1 1951519866 JMFKFMJSNOBFKY-VIFPVBQESA-N 255.226 -0.489 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CNC[C@H]1O 2087727177 OQXXWAPJFKRDPZ-JOYOIKCWSA-N 266.297 -0.663 10 10 CBCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CO 2188875399 QHBYULNFBHKXJG-SECBINFHSA-N 282.296 -0.448 10 10 CBCE CCOc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2219580262 RCARXFMRIMPYLH-FRRDWIJNSA-N 253.298 -0.012 10 10 CBCE COc1ccc(N2CC(O)(C(N)=O)C2)c(CO)c1 2220425521 ACSKQTLTAZHBON-UHFFFAOYSA-N 252.270 -0.776 10 10 CBCE CN(C)S(=O)(=O)CCn1ccc2c(c1=O)CNCC2 2228546614 IIHVLBIYZXEYTJ-UHFFFAOYSA-N 285.369 -0.615 10 10 CBCE Cc1cc([C@H](C)N)ccc1N1CCNC(=O)[C@H]1C(N)=O 2240745857 WAPXACIHUJDIDJ-JOYOIKCWSA-N 276.340 -0.195 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@@H]3[C@@H](O)CO)cc21 2286225895 KSBAXSHDNUKXJV-KGYLQXTDSA-N 278.308 -0.372 10 10 CBCE Nc1ccc(OCCN2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332921333 IFBNAPXMUWBHPX-UPJWGTAASA-N 268.313 -0.954 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCS(=O)CC1 49692765 VRIHVBSZUBMAGG-JTQLQIEISA-N 298.364 -0.442 10 10 CBCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 403851260 SPLHULOFCYBKNB-RQJHMYQMSA-N 266.261 -0.114 10 10 CBCE O=C(CN1CC(=O)NC1=O)NCc1ccccc1O 731872499 NALJEZNBVIQPLZ-UHFFFAOYSA-N 263.253 -0.440 10 10 CBCE CC(=O)C(=O)CN1C(=O)N2CCCC[C@@H]2CS1(=O)=O 865388500 CODOGHKXBZZMJE-SECBINFHSA-N 288.325 -0.236 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)C[C@H]1CO 1296746756 VKYLRQFZPSOWLL-VHSXEESVSA-N 267.281 -0.406 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CO[C@@H]2CNC[C@H]12 1876501107 XGFZWIDQVMEILB-FBIMIBRVSA-N 262.313 -0.234 10 10 CBCE O=C(N[C@H]1CCOC[C@@H]1CO)c1cc(O)nc(O)c1 1878696211 OVUZSCUVGAHQAG-IUCAKERBSA-N 268.269 -0.380 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)N[C@H]1CCS(=O)(=O)C1 1912167160 HJMNGIVFXBXGLU-QMMMGPOBSA-N 275.334 -0.468 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C2=O)cc1F 1924759374 XLRBFBKDZSKMBA-YUMQZZPRSA-N 298.295 -0.058 10 10 CBCE CC(=O)N1CC(NC(=O)COc2ccc(N)cc2)C1 1926280736 MDLKTNRWNGTNFV-UHFFFAOYSA-N 263.297 -0.006 10 10 CBCE Nc1ccc(O)c(CNC(=O)C2CS(=O)(=O)C2)c1 2036211949 FVBLPEAXTMJBHQ-UHFFFAOYSA-N 270.310 -0.365 10 10 CBCE O=C(O)CCONC(=O)c1cc(O)c(O)c(O)c1 2068565616 DBTFKHHACNDRQY-UHFFFAOYSA-N 257.198 -0.061 10 10 CBCE C[C@@H](NC(=O)[C@H](N)CC(N)=O)c1ccccc1O 2072489483 HNXYIVGZHWRZMM-VXNVDRBHSA-N 251.286 -0.228 10 10 CBCE COc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)ccc1CN 2139683246 SRLBEJBOEJNXLM-NTZNESFSSA-N 268.313 -0.943 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NC(=O)COc1ccc(N)cc1 2174099581 CSELPIADBHFAEH-CMPLNLGQSA-N 279.296 -0.593 10 10 CBCE COc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c(CO)c1 2235999250 HKNHBQJOZDCUJI-GHMZBOCLSA-N 276.292 -0.104 10 10 CBCE Nc1ccc(NC(=O)NCC2(O)CS(=O)(=O)C2)cc1 2267888878 DQLCEQQPFQVHNS-UHFFFAOYSA-N 285.325 -0.450 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1[C@H](C)O 2334469005 VWXBXZGEZXECBI-WTDIUWLJSA-N 267.325 -0.049 10 10 CBCE NC(=O)[C@H]1COCCN1C(=O)CCOc1ccc(N)cc1 158738039 FRDMVZFFXFZOJD-GFCCVEGCSA-N 293.323 -0.250 10 10 CBCE CO[C@@H](CCNC(=O)c1cc(O)nc(O)c1)C(=O)O 401432753 IQJQXXLZTIVBNC-ZETCQYMHSA-N 270.241 -0.288 10 10 CBCE NC(=O)[C@@H]1CN(Cc2cccc(F)c2O)C[C@H]1C(N)=O 693451682 AIMIGJJGWZDIRU-RKDXNWHRSA-N 281.287 -0.450 10 10 CBCE Nc1ccc(OCCC(=O)N2CC(CO)(CO)C2)cc1 721417447 FUTOEFNFRFWJGS-UHFFFAOYSA-N 280.324 -0.149 10 10 CBCE NC(=O)C[S@](=O)C[C@H](O)COc1ccc(N)cc1 722445647 VLRXYJXIDMPNOX-DYBLOJMWSA-N 272.326 -0.758 10 10 CBCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 859901360 LPIDRKZNEOKONM-VIFPVBQESA-N 293.279 -0.526 10 10 CBCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](O)C1 1556967182 AYGVTKAIUZCXPH-MYOSGWKKSA-N 279.292 -0.077 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CNCC[C@@H]1CO 1876502681 VLSLAOYKBXWLHT-KCJUWKMLSA-N 264.329 -0.250 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNC[C@H](O)C2)cc1 1876535068 LKXIYBAKOQKESB-LBPRGKRZSA-N 285.369 -0.635 10 10 CBCE Nc1ccc(N2C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C2=O)cc1 1924763218 ZTLGCPNLSCKWPA-NXEZZACHSA-N 280.305 -0.197 10 10 CBCE N[C@H](CCNC(=O)c1cccc(O)c1O)C(=O)O 2028194730 FARZGMFWKDRXML-SSDOTTSWSA-N 254.242 -0.370 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c(O)c1 2046513940 JSISNXDOHCXIBW-QTKMDUPCSA-N 255.270 -0.958 10 10 CBCE [N-]=[N+]=NCC(=O)NCC(=O)NCCCC[C@H](N)C(=O)O 2081152299 LHBGWFVWCZJIBG-ZETCQYMHSA-N 286.292 -0.889 10 10 CBCE COC1(CO)CN(CC(=O)Nc2ccc(N)cc2)C1 2101061925 ITXBKHTVODLLQZ-UHFFFAOYSA-N 265.313 -0.100 10 10 CBCE COc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1O 2108833364 WCDDJTXEWABNFI-OTMMVIPVSA-N 269.297 -0.655 10 10 CBCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2127700949 LWLUYWCPBPXDCL-KCJUWKMLSA-N 263.297 -0.470 10 10 CBCE Nc1ccc(OCCN2CCOC[C@H]2[C@H](O)CO)cc1 2146328876 JRWQREXLMWDRDG-UONOGXRCSA-N 282.340 -0.298 10 10 CBCE CN1CCNC[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2191644022 IXYZBVYILBGUIE-ZDUSSCGKSA-N 298.412 -0.408 10 10 CBCE C[C@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C[C@@]1(C)O 2194606043 CWOQXVKZBCPDAL-QWHCGFSZSA-N 282.296 -0.159 10 10 CBCE NC(=O)C[C@H]1CNCCN1Cc1ccc(O)c(O)c1 2343348000 BCCUCMNUEGQFDO-JTQLQIEISA-N 265.313 -0.253 10 10 CBCE Nc1nnc([C@@H](N)Cc2ccc(O)c(O)c2)n1N 150189404 AFVCCHMJZKWBOC-LURJTMIESA-N 250.262 -0.772 10 10 CBCE CNC[C@H]1CN(c2ccc3c(c2)OCO3)CC(=O)N1 216976369 ATDJIFDZAUJWGZ-VIFPVBQESA-N 263.297 -0.061 10 10 CBCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@H]1COC[C@@H]1O 709342804 FJPUDOJPZSGAEQ-QWRGUYRKSA-N 279.296 -0.204 10 10 CBCE Cn1nnn(Cc2ccc(N3CCOCC3)cc2)c1=O 877886558 RIHHBQKEBBVTDD-UHFFFAOYSA-N 275.312 -0.138 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)C[C@@H](N)C2)cc1 1876437443 IFJFUJKRFKPGAU-MNOVXSKESA-N 265.313 -0.432 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1CO)c1ccc(O)c(O)c1 2029858612 VDNCGJGGLMFGJP-DTWKUNHWSA-N 253.254 -0.165 10 10 CBCE C[C@@H](O)[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 2053807354 ZYRRTDRVXBEOSG-KCJUWKMLSA-N 274.342 -0.570 10 10 CBCE O=C(N[C@@H]1CCNC[C@H]1CO)c1cc(O)nc(O)c1 2116265072 IXEQAYMTGIPCOJ-DTWKUNHWSA-N 267.285 -0.807 10 10 CBCE CN1CCC(CN)(NC(=O)c2cc(O)nc(O)c2)CC1 2187394753 SEQKUUMGPZZWJI-UHFFFAOYSA-N 280.328 -0.354 10 10 CBCE O=C(NCC[C@@H]1CNCCO1)c1cc(O)c(O)c(O)c1 2188925768 XQONMEXTWMIZEM-SECBINFHSA-N 282.296 -0.088 10 10 CBCE N[C@@H](c1nnc([C@H](O)CO)o1)c1ccccc1O 83384313 VTKSDFGGQIONAL-RKDXNWHRSA-N 251.242 -0.151 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCCc2ccccc2)C1=O 169995732 ZSTVNBBRRRUEIM-NSHDSACASA-N 275.308 -0.145 10 10 CBCE NC(=O)CCS(=O)(=O)CCC(=O)Nc1ccc(N)cc1 399236403 GWFRRSBISLWGJD-UHFFFAOYSA-N 299.352 -0.112 10 10 CBCE Cc1nn(CC(=O)NCc2cc(O)ccc2O)c(=O)n1C 1303225400 HJXUFEHCIPXBDN-UHFFFAOYSA-N 292.295 -0.382 10 10 CBCE N[C@H]1C[C@@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 2049116331 HMPJVEFUXAMBPM-JGVFFNPUSA-N 253.258 -0.973 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCOC[C@@H]1N 2071694069 GMNVTXAWJNJOHQ-VHSXEESVSA-N 250.302 -0.104 10 10 CBCE COC(=O)[C@H](N)CCNC(=O)c1cc(O)nc(O)c1 2088535744 BRBKRGLGHCUJSV-SSDOTTSWSA-N 269.257 -0.887 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@@H]1CO 2092555737 PPWYNCJKWLWHSM-ZJUUUORDSA-N 266.297 -0.439 10 10 CBCE CN(CC(CO)CO)c1ccc2c(c1)N(C)C(=O)[C@H]2N 2150419836 STVQVMYDPFZZHH-ZDUSSCGKSA-N 279.340 -0.300 10 10 CBCE CN(C(=O)C1=C[C@H](O)[C@@H](N)C1)c1ccc(C(=O)O)cn1 2188030758 MEDXJYXOWGOXQS-UWVGGRQHSA-N 277.280 -0.239 10 10 CBCE O=C(N[C@@]1(CO)CCCNC1)c1cc(O)c(O)c(O)c1 2188917991 AZBIEZYHTIKCLW-ZDUSSCGKSA-N 282.296 -0.352 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2201032929 JZSIILVGGXPDIW-RDBSUJKOSA-N 284.331 -0.162 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@H](O)[C@@H]2CF)ccc1CO 2205592494 XDNFAEOTGMWDFP-SDDRHHMPSA-N 286.259 -0.033 10 10 CBCE Nc1cc2c(cc1N1CC[C@H]1[C@H](O)CO)NC(=O)CO2 2286231777 YTUQVKJVUGHWMC-GXSJLCMTSA-N 279.296 -0.468 10 10 CBCE O=C(NCCO[C@H]1CCCNC1)c1cc(O)nc(O)c1 2289913591 LZDJERGYXWWEAF-JTQLQIEISA-N 281.312 -0.009 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@@H]1COCCO1 55297421 WTVVWKSQGNOFQA-LBPRGKRZSA-N 293.323 -0.502 10 10 CBCE N[C@H](CC(=O)NCc1ccc(O)c(O)c1)C(=O)O 83397857 KYWDMYPKHNYQOO-SSDOTTSWSA-N 254.242 -0.484 10 10 CBCE COc1ccc(CNC(=O)[C@@H](O)CCN)c(O)c1 83398229 TYFAZYPQPYVPDK-JTQLQIEISA-N 254.286 -0.273 10 10 CBCE Nc1ccc(CNC(=O)Cn2nc(O)ccc2=O)cc1 701336219 NGJLYDWUXZZEEN-UHFFFAOYSA-N 274.280 -0.153 10 10 CBCE NC(=O)C1(NC(=O)c2cc(O)c(O)c(O)c2)CC1 1148586548 RUWJKQPFOTWKIE-UHFFFAOYSA-N 252.226 -0.449 10 10 CBCE NCc1cc(F)c(N2CC(O)(C(N)=O)C2)c(F)c1 1915222864 BYJZFDVUQAIWFY-UHFFFAOYSA-N 257.240 -0.540 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@@H]2[C@@H]1CO 2078308211 USTCEAJVASHEKD-CIUDSAMLSA-N 250.254 -0.054 10 10 CBCE O=C(O)CN1CC[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2169326775 FUSYKVCYJJYARB-MRVPVSSYSA-N 281.268 -0.619 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](CO)[C@H](N)C2)cc1 2191630742 DVRCPGKHKGDYBZ-WCQYABFASA-N 299.396 -0.260 10 10 CBCE O=C(O)[C@@]1(O)CCN(Cc2ccc(O)c(O)c2)C[C@@H]1O 2197473203 LJJPHWLAMGNPHQ-WCQYABFASA-N 283.280 -0.520 10 10 CBCE COc1cccc(O)c1CN1C[C@H](O)[C@H](O)[C@H]1C(=O)O 2200856930 DMNKAXZMSDGHEF-DLOVCJGASA-N 283.280 -0.609 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1 2273789982 HQURSSJGXRLFSS-RCCPXBDUSA-N 267.325 -0.110 10 10 CBCE O=C1NC[C@@H]2CCCN(C(=O)c3cc(O)nc(O)c3)[C@H]12 2279214234 YRTPHSWAFCJHPP-CPCISQLKSA-N 277.280 -0.157 10 10 CBCE O=C(N[C@@H]1[C@H]2CN[C@@H]1C2)c1cc(O)c(O)c(O)c1 2311831854 GHRAUPATLFKNTK-BRDIYROLSA-N 250.254 -0.107 10 10 CBCE Nc1ccc(N2C(=O)NC(CO)(CO)C2=O)cc1 2320888204 MQHAQXPNYOMOOM-UHFFFAOYSA-N 251.242 -0.952 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1F 2333695752 WATBXKNEXSEPPT-SXMVTHIZSA-N 275.251 -0.124 10 10 CBCE Nc1nonc1C(=O)NCc1cc(O)ccc1O 83382061 FEDPRZCUJQGMKR-UHFFFAOYSA-N 250.214 -0.007 10 10 CBCE CC(CO)(CO)N/C=C1\C(=O)N=C(O)N(C(C)(C)C)C1=O 103221500 ZCSZPFPMZCDSJX-VMPITWQZSA-N 299.327 -0.716 10 10 CBCE O=C1CN(C(=O)[C@@H]2CNc3ccccc3N2)CCN1 229876581 YLNRDHCHQVNKOW-NSHDSACASA-N 260.297 -0.149 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N(CCO)CCO 229878067 KTASHYMHIGURFE-LBPRGKRZSA-N 265.313 -0.294 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1CNC[C@H]1O 234299863 AALKDLQKGPHANN-LDYMZIIASA-N 252.270 -0.498 10 10 CBCE Nc1ccc(CCC(=O)NC(CO)(CO)CO)cc1 236350491 JCGVGHUDUNRGBV-UHFFFAOYSA-N 268.313 -0.967 10 10 CBCE NS(=O)(=O)CC1CN(C(=O)c2cccc(O)c2O)C1 1880186010 CKVIJDZAJBBWOQ-UHFFFAOYSA-N 286.309 -0.542 10 10 CBCE CNS(=O)(=O)CCN(C)C(=O)c1cccc(O)c1O 1963385279 UCDBMRFKKZAEKI-UHFFFAOYSA-N 288.325 -0.281 10 10 CBCE CC(C)([C@H](NCCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2047896117 WCPFJBOGZWBWTI-SSDOTTSWSA-N 277.350 -0.047 10 10 CBCE C[C@@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(=O)O 2056769549 VJZGEXWLMCNHIH-XRGYYRRGSA-N 255.226 -0.338 10 10 CBCE NC(=O)[C@@H]1CCN1c1cc2c(cc1N)OCC(=O)N2 2089370594 XGLCQNLHBLUOOD-QMMMGPOBSA-N 262.269 -0.336 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)C[C@@H]1CO 2200827864 BIFCECHQMOQPIS-GHMZBOCLSA-N 281.308 -0.016 10 10 CBCE C[C@]1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)CC[C@H]1O 2201497603 DFJFWDDBCCYQGK-BZPMIXESSA-N 277.324 -0.040 10 10 CBCE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccc(O)c(C)c1 2270495800 GNXFBXGXZDJQKD-VIFPVBQESA-N 288.325 -0.057 10 10 CBCE CNC(=O)[C@H]1COCCN1C(=O)Cc1ccc(N)cc1 159175892 LOEQOEOVVUKTSE-GFCCVEGCSA-N 277.324 -0.215 10 10 CBCE O=C(CN1C[C@@H](CO)[C@@H](CO)C1)c1ccc(O)c(O)c1 707603110 AKGPRLFXRHCVOA-PHIMTYICSA-N 281.308 -0.187 10 10 CBCE [N-]=[N+]=NCCNC1(C(=O)O)CC2(C1)CS(=O)(=O)C2 1912145287 FNPNLZZTBOKZAW-UHFFFAOYSA-N 274.302 -0.082 10 10 CBCE NC[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 2016969996 URQYLYVUWUADRY-JTQLQIEISA-N 259.331 -0.992 10 10 CBCE COc1cccc(CNCCNS(N)(=O)=O)c1O 2039813766 NWMZRUNJXDWTLI-UHFFFAOYSA-N 275.330 -0.717 10 10 CBCE CO[C@H](CCO)CNC(=O)c1cc(O)nc(O)c1 2049498321 KJJTUYXEDOPDFP-MRVPVSSYSA-N 256.258 -0.380 10 10 CBCE C[C@H](NCCCNS(N)(=O)=O)c1ccc(O)cc1O 2101324985 UOYXUCLRJZIITG-QMMMGPOBSA-N 289.357 -0.068 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COC[C@H]1C(=O)O 2144030575 PUHWKDCYIYWHNG-RKDXNWHRSA-N 281.264 -0.144 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@H]1[C@H](O)CO 2146323175 IWVGQEHREAJYFM-GXSJLCMTSA-N 283.280 -0.708 10 10 CBCE COc1cccc(O)c1CN1CCOC[C@]1(CN)CO 2160723267 JTAFNTWXCCVJQY-AWEZNQCLSA-N 282.340 -0.077 10 10 CBCE NC(=O)[C@H]1CN(Cc2c(O)cccc2F)C[C@@H]1C(N)=O 2160775946 IBOUOFNWGNERKB-YUMQZZPRSA-N 281.287 -0.450 10 10 CBCE Cc1cccc(O)c1CNCC1(O)CS(=O)(=O)C1 2256070795 CKSPLVXXDRPRAB-UHFFFAOYSA-N 271.338 -0.050 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCc1ncn[nH]1 80625590 HATTUUVNTXQDLG-VIFPVBQESA-N 291.311 -0.555 10 10 CBCE O=C(NC1(CO)CCOCC1)c1cc(O)nc(O)c1 230733454 OWDCBQQUFJRSLQ-UHFFFAOYSA-N 268.269 -0.236 10 10 CBCE C[C@@H](O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 386885145 JCOHEERSFIPOBU-MRTMQBJTSA-N 268.313 -0.147 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)C[C@H]1CO 698125252 CTBJMKIZKKTXRT-IUCAKERBSA-N 253.254 -0.335 10 10 CBCE CC1(C)NC(=O)N(CC(=O)NCCN=[N+]=[N-])C1=O 701336431 IUGMAZCWUHJALT-UHFFFAOYSA-N 254.250 -0.257 10 10 CBCE O=C(CN1C[C@@H](O)C[C@H]1CO)c1ccc(O)c(O)c1 703885704 PHAWDVSLJXZFTA-UWVGGRQHSA-N 267.281 -0.292 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@@H]1COC[C@H]1N 708126824 CUIKPLCCVXPXJO-RKDXNWHRSA-N 252.270 -0.104 10 10 CBCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)cc1F 1924759373 XLRBFBKDZSKMBA-OCAPTIKFSA-N 298.295 -0.058 10 10 CBCE Nc1ccc(CC(=O)NCCC(CO)CO)cc1 2064518603 QRIXKGYWFRBUOO-UHFFFAOYSA-N 252.314 -0.082 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1Cc1ccccc1O 2080551888 HCEDROGFGNFUHL-OUAUKWLOSA-N 253.254 -0.617 10 10 CBCE Nc1ccc(OCCNC(=O)CCn2cnnn2)cc1 2146455160 RHLUOTKVVCEYAA-UHFFFAOYSA-N 276.300 -0.159 10 10 CBCE CN(CC(=O)N(C)c1ccc(N)cc1)CC(CO)CO 2150415291 LNBCIFAMTQDPRG-UHFFFAOYSA-N 281.356 -0.236 10 10 CBCE [N-]=[N+]=NCCCNC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(=O)O 2225792381 MRPZDCTYAOIMIG-RQJHMYQMSA-N 290.301 -0.452 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(Cl)c1 2273651508 PHSQKWUJGBPVHF-JIMOISOXSA-N 286.759 -0.051 10 10 CBCE C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)N(C)C 40461676 RXZXVQXVVDPTCD-SCZZXKLOSA-N 295.339 -0.440 10 10 CBCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H]1CCN1 384847594 YXZJLAYEIWNFEW-DTWKUNHWSA-N 280.280 -0.428 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCN1CCC1 697835928 GKDBUIXFSYCMRV-NSHDSACASA-N 279.340 -0.211 10 10 CBCE CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1ccccc1O 1302538612 WLYYVKKDDZBPIF-VIFPVBQESA-N 293.323 -0.178 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CNCC[C@H]1CO 1876502680 VLSLAOYKBXWLHT-GZMMTYOYSA-N 264.329 -0.250 10 10 CBCE Cc1cccc(O)c1CN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1963064553 WQIHDJJDOKWMKI-PHIMTYICSA-N 277.324 -0.281 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@H](N)CCC(N)=O)cc1 1963325717 XYEPBDIIJJTQPA-GFCCVEGCSA-N 278.356 -0.038 10 10 CBCE NCCN(CCO)C(=O)c1cc(O)c(O)c(O)c1 2068616210 YFHQBDDLCZHELJ-UHFFFAOYSA-N 256.258 -0.803 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@@]1(CO)CO2 2094651712 RJFMDHOCJMWQMV-PRHODGIISA-N 266.253 -0.531 10 10 CBCE O=C1Nc2cc(N3CC(OCCO)C3)ccc2[C@@H]1O 2095968888 OVLWKAYOIGSVRI-LBPRGKRZSA-N 264.281 -0.130 10 10 CBCE COC[C@H](NC(=O)COc1ccc(N)cc1)C(N)=O 2096060623 VEBVRKQYVPZLNK-JTQLQIEISA-N 267.285 -0.736 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCO1 2132940979 WRPBIEQYLJJVLU-UWVGGRQHSA-N 266.297 -0.127 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCNC[C@@H]2CO)cc1 2191656803 XGLAVXNULJQYNA-ZWNOBZJWSA-N 279.340 -0.266 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1Cc1ccc(O)cc1O 2201089903 IASAANMDBOXHHI-ADEWGFFLSA-N 283.280 -0.522 10 10 CBCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1COc1nnc(=N)[nH]n1 2209172631 HQWAGCJNKYORSP-BQBZGAKWSA-N 282.304 -0.029 10 10 CBCE Nc1ccc(OCCNC(=O)c2c[nH]c(=O)[nH]c2=O)cc1 63130510 FRWOHYQKKDAOCC-UHFFFAOYSA-N 290.279 -0.546 10 10 CBCE Nc1ccc(CNC(=O)c2c[nH]c(=O)[nH]c2=O)cc1 159397084 OTXPKMGGRQPCMQ-UHFFFAOYSA-N 260.253 -0.425 10 10 CBCE NC(=O)C[S@](=O)CC(=O)Nc1ccc(N)cc1 302268688 DNCWNMHKPPVWTR-KRWDZBQOSA-N 255.299 -0.559 10 10 CBCE C[C@@H](CNC(=O)c1cc(O)cs1)S(N)(=O)=O 768591614 VYYNTZJCGHSNHG-YFKPBYRVSA-N 264.328 -0.140 10 10 CBCE NC(=O)C[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 863484617 HNZJLNWYBGMBFW-QMMMGPOBSA-N 280.280 -0.186 10 10 CBCE NS(=O)(=O)c1nc(C2=S=Nc3ccccc32)n[nH]1 2041914535 PSIACVXLQHXCRN-UHFFFAOYSA-N 281.322 -0.068 10 10 CBCE O=C(NCC1(CO)CNC1)c1ccc(O)c(O)c1 2081958785 IMGKRGGXIKIJDG-UHFFFAOYSA-N 252.270 -0.591 10 10 CBCE CO[C@@H]1CN[C@H](CNC(=O)c2cc(O)nc(O)c2)C1 2115850088 DKLFGGCKAYLNCM-IUCAKERBSA-N 267.285 -0.401 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2136340956 JQGUZPVEZNHNMI-IHRRRGAJSA-N 266.341 -0.400 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3C[C@H](O)C[C@@H](O)C3)cc21 2161394333 QGTFWSUXVOWQAT-GIPNMCIBSA-N 278.308 -0.372 10 10 CBCE C[S@@](=O)C1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 2171957511 RQRWMBYVHYOOME-WVDJIFEKSA-N 298.364 -0.443 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2OC[C@H](CO)[C@@H]2C1 2178148527 UWJAXMRCHSIZKD-GUBZILKMSA-N 280.280 -0.428 10 10 CBCE NCCc1nc(NS(=O)(=O)Cc2ccc(N)cc2)n[nH]1 2191624256 WCRIESQFTSMPCA-UHFFFAOYSA-N 296.356 -0.170 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2271171748 YJVLLLLOUVTFIN-SRVKXCTJSA-N 286.353 -0.164 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCOC1=O 2286874077 SRHOVYNXKPLAQL-DTWKUNHWSA-N 280.280 -0.601 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)C[C@H](O)[C@H]1O 2289358946 YBFXAEXHTRJWRB-HJPIBITLSA-N 279.336 -0.184 10 10 CBCE COc1ccc(N2CCNC(=O)[C@@H]2CN)cc1OC 217136127 QQGDZJYMRZBJMX-JTQLQIEISA-N 265.313 -0.033 10 10 CBCE O=C(O)C[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 236421301 YHPHJCJWSHTADP-ZCFIWIBFSA-N 269.209 -0.245 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)[C@H](CO)C3)cc21 316968314 IDPXYWVFVFZLPK-ZEGGKSINSA-N 277.324 -0.548 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1C(=O)O 690086161 CRWJEMVTWMNIQZ-YUMQZZPRSA-N 282.252 -0.336 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1F 693397107 DQFBNIANESMSJX-NXEZZACHSA-N 280.303 -0.693 10 10 CBCE NS(=O)(=O)C1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1451281335 KHUKALJSTAQGHZ-DUXPYHPUSA-N 298.320 -0.390 10 10 CBCE NC(=O)CC[C@H](C(=O)O)N1C(=O)CSC1=S 1860075680 PGMIMHTWYVVMFH-SCSAIBSYSA-N 262.312 -0.435 10 10 CBCE NC[C@H]1COC[C@H]1NC(=O)c1cccc(O)c1O 2029840050 DQZQAMIZVFINCC-IONNQARKSA-N 252.270 -0.199 10 10 CBCE CN(CC(=O)O)S(=O)(=O)N(C)Cc1ccc(N)cc1 2106400881 ZBYTTZHXLGZTOV-UHFFFAOYSA-N 287.341 -0.038 10 10 CBCE Nc1ccc(O)c(CNC(=O)c2c[nH]c(=O)cn2)c1 2110855434 YTGJATPQSUYIPQ-UHFFFAOYSA-N 260.253 -0.012 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CC(O)(CO)C2)cc1 2115307868 FISSMNAFJGXLRC-NSHDSACASA-N 268.313 -0.953 10 10 CBCE Cc1cc(CO)ccc1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2127263836 JULOVALVTABTDX-OLZOCXBDSA-N 265.309 -0.202 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c(O)c1 2177946416 YQOVXHRNGHKEGG-WGEPELCKSA-N 283.324 -0.407 10 10 CBCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2O 2181218509 YRKTWNTWSZSBJG-GRYCIOLGSA-N 278.308 -0.008 10 10 CBCE CO[C@H]1CN[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188918512 FRGNACJBGLWAHC-RKDXNWHRSA-N 282.296 -0.090 10 10 CBCE O=C(N[C@H]1CCO[C@@H](C(=O)O)C1)c1cc(O)nc(O)c1 2194366933 TUSYBIZIDMGWDL-JGVFFNPUSA-N 282.252 -0.145 10 10 CBCE CN1CCc2cc([C@H](N)[C@H](O)c3nnnn3C)ccc21 2196244968 AZJNRADDKSFYII-RYUDHWBXSA-N 274.328 -0.064 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](O)C1 61712298 BQFSXHJXVODNHW-UWVGGRQHSA-N 266.297 -0.439 10 10 CBCE O=C(O)[C@H](CO)NCc1ccc(N2CCNCC2)cc1F 84846869 PBQHGHMGTQZUFE-ZDUSSCGKSA-N 297.330 -0.230 10 10 CBCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CNC1 91411383 BXLVRDIKSMOMSE-SECBINFHSA-N 280.280 -0.571 10 10 CBCE O=C(NCCN1CCOCC1)c1cc(O)nc(O)c1 170223223 YRAXYGHDKOJBNC-UHFFFAOYSA-N 267.285 -0.445 10 10 CBCE NC(=O)C[S@](=O)CCC(=O)Nc1ccc(N)cc1 302284614 GQJWURFRNADRES-GOSISDBHSA-N 269.326 -0.169 10 10 CBCE O=C(O)[C@H]1C(=O)NC[C@@H]1c1cc(O)c(O)c(O)c1 1951593040 RYVFLZWZGWZJJE-SVGQVSJJSA-N 253.210 -0.282 10 10 CBCE COc1ccc(O)c(CN2CC(N)(C(N)=O)C2)c1 2047099166 QHXKXNKJZGTKPG-UHFFFAOYSA-N 251.286 -0.601 10 10 CBCE [N-]=[N+]=NCC1(CNS(=O)(=O)N2CC[C@H](O)C2)CC1 2054029019 IBSSLIACVYVVEY-QMMMGPOBSA-N 275.334 -0.022 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2c(O)cccc2F)C1 2057714418 QEXUKQGGJQCWFC-MWLCHTKSSA-N 275.301 -0.221 10 10 CBCE NC[C@@H]1COC[C@H]1Nc1c(N)cccc1C(N)=O 2071688698 OFAPMAZKWBQVNU-GMSGAONNSA-N 250.302 -0.247 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2081009125 LQZPPWKAFFHXFR-FRRDWIJNSA-N 252.314 -0.691 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1O 2089918332 GYNMIHUVTZIIDL-CABZTGNLSA-N 266.297 -0.155 10 10 CBCE Cc1cccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c1O 2121473959 KIMJZRNIQLRWFM-HBJVGIJOSA-N 267.325 -0.107 10 10 CBCE O=C(NCCc1nn[nH]n1)c1cc(O)c(O)c(O)c1 2132348719 RDYZSBBMOVWCAM-UHFFFAOYSA-N 265.229 -0.711 10 10 CBCE CO[C@@](C)(CO)CNC(=O)c1cc(O)c(O)c(O)c1 2132349458 DCAFNSYFAVIPKI-GFCCVEGCSA-N 271.269 -0.069 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)[C@@H]1CC(=O)NC1=O 2171199797 FJTIZDOIUMFBML-MRVPVSSYSA-N 278.264 -0.373 10 10 CBCE N[C@H]1C[C@H]2CN(Cc3ccc(O)cc3O)CCN2C1=O 2173417529 BRQVZPLAPQDFQO-JQWIXIFHSA-N 277.324 -0.158 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(O)cc1O 2177946359 YGYMDXJBSWRBNE-WXMORRPASA-N 283.324 -0.149 10 10 CBCE N[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1CO 2188924913 RPEHTJRDNQESLQ-RKDXNWHRSA-N 282.296 -0.415 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@H](O)CC3)ccc2[C@H]1O 2284540476 BZJJIIABPJCXGA-FRRDWIJNSA-N 278.308 -0.006 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@H](O)[C@@H]1O 2289358948 YBFXAEXHTRJWRB-OADPDTJPSA-N 279.336 -0.184 10 10 CBCE O=C(O)[C@@H](O)[C@H]1NCCc2c1cc(O)c(O)c2O 75818767 RHPREIRXBIDFAP-XVKPBYJWSA-N 255.226 -0.564 10 10 CBCE COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccc(O)c1O 126734882 OFNSQKNBBPRORB-IONNQARKSA-N 281.264 -0.154 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@](O)(C(=O)O)C1 386722377 AMSOADRGJIIYQI-GFCCVEGCSA-N 267.237 -0.241 10 10 CBCE CN1CC[C@@](O)(CNCc2ccc(O)c(O)c2O)C1 702654844 WXWMQIVJEIEJTG-CYBMUJFWSA-N 268.313 -0.040 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@H]1COC[C@@H]1O 708736570 QVMWYZPGFBRNBA-WPRPVWTQSA-N 253.254 -0.071 10 10 CBCE O=C(CN1CCNC(=O)C1)NCCc1ccc(O)c(O)c1 1445938852 PLMZNFFKDBZHCQ-UHFFFAOYSA-N 293.323 -0.812 10 10 CBCE CN(CC(CO)CO)C(=O)c1ccc(O)c(O)c1 2033020205 ZAYNPYVYXOSKDI-UHFFFAOYSA-N 255.270 -0.229 10 10 CBCE CC1(C)[C@@H](O)C[C@]1(CO)NC(=O)c1cc(O)nc(O)c1 2193982564 DPXABGDXHXYOSX-ISVAXAHUSA-N 282.296 -0.256 10 10 CBCE CC1(C)[C@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2201312846 FSNDGMCZTUZGMT-JOYOIKCWSA-N 280.324 -0.051 10 10 CBCE Cn1c(=O)cc(O)n(C(=O)Nc2ccc(N)cc2)c1=O 2280566776 HBLCNDNYQRCMKX-UHFFFAOYSA-N 276.252 -0.085 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2354482783 MNSNSXGWJODFCQ-FTYKPCCVSA-N 298.364 -0.476 10 10 CBCE NC(=O)[C@H]1COCCN1C(=O)CCc1ccc(N)cc1 158739987 CRKIULHWUQOFIQ-GFCCVEGCSA-N 277.324 -0.086 10 10 CBCE CCOC(=O)CN1N=C2CC(=O)N(C)C=C2C1=O 260702022 JUTPDRCAVFODJS-UHFFFAOYSA-N 251.242 -0.506 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@](O)(CO)C3)ccc21 314279413 YOVDHQGUNQQEPQ-WCQYABFASA-N 263.297 -0.428 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)[C@@H](CO)C1 316112852 LCKBWPCAWOYEFW-LDYMZIIASA-N 253.254 -0.477 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN2C[C@H](O)C[C@@H]2C1 405308446 LXIDNYDMTFFCAX-GHMZBOCLSA-N 278.308 -0.011 10 10 CBCE COCC(COC)S(=O)(=O)NCCN=[N+]=[N-] 711144984 OVOIGBDZNIDTLS-UHFFFAOYSA-N 252.296 -0.123 10 10 CBCE NC(=O)CN1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 1443537701 QQCAKPZZARUPJU-VIFPVBQESA-N 293.323 -0.223 10 10 CBCE Nc1ccc(CN2CC[C@H](O)[C@@H](O)[C@H]2C(=O)O)cc1 1891411300 MQIQYRCUGRVXLR-SDDRHHMPSA-N 266.297 -0.351 10 10 CBCE Nc1ccc(NC(=O)NCCCNS(N)(=O)=O)cc1 2101325128 WDIPKVOHQVHFAQ-UHFFFAOYSA-N 287.345 -0.427 10 10 CBCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CNC2CC2)cc1 2201033781 MVIFZFOZUDMIPO-QLFBSQMISA-N 278.352 -0.159 10 10 CBCE CN[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CO)ccc21 2201040623 ZTENOCUDDWKDPZ-KBXIAJHMSA-N 278.352 -0.204 10 10 CBCE COc1cc(N2CCC[C@](O)(C(N)=O)C2)ccc1CN 2204548394 OKNRHRDOELDUKD-CQSZACIVSA-N 279.340 -0.030 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2CN[C@@H](CO)[C@H]2C1 2235550553 SVOOLTUBARRGLL-LSJOCFKGSA-N 278.308 -0.250 10 10 CBCE CNC(=O)[C@H]1COCCN1Cc1cc(N)ccc1O 130151872 OZZUDZWHIXLEKX-LLVKDONJSA-N 265.313 -0.079 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 693394094 VUKLUHKRMGSXQV-QWRGUYRKSA-N 276.340 -0.523 10 10 CBCE C[C@H](O)[C@@H](O)CNC(=O)CCOc1ccc(N)cc1 717379120 WXCVQKWOCLUSBV-CABZTGNLSA-N 268.313 -0.104 10 10 CBCE Cn1cnn(CC(=O)NCc2c(O)cccc2O)c1=O 1472064180 UPHAUCGYUOKCQS-UHFFFAOYSA-N 278.268 -0.691 10 10 CBCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(O)COC1 1633819006 NSUDYIUFCLZHTI-MRVPVSSYSA-N 267.281 -0.094 10 10 CBCE Cn1nnn(CC(=O)c2ccc(O)c(O)c2)c1=O 1652968697 WJIMNBWSRRTGRF-UHFFFAOYSA-N 250.214 -0.729 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COCC[C@@H]2N)cc1 1876448627 GWCIRPXUAPWPSS-NWDGAFQWSA-N 265.313 -0.120 10 10 CBCE O=C(O)[C@@H]1C(=O)NCC[C@@H]1c1cc(O)nc(O)c1 1952608995 UCONFPLLMPDLIE-MUWHJKNJSA-N 252.226 -0.203 10 10 CBCE Nc1ccc(CC(=O)NC2([C@H](O)CO)CC2)cc1 2069743739 LQEBTGQUYWUTFL-LLVKDONJSA-N 250.298 -0.187 10 10 CBCE N[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2088536311 GYMBLFJLAGUEPP-QMMMGPOBSA-N 268.269 -0.442 10 10 CBCE O=c1c2c(ccn1C[C@@H]1CCS(=O)(=O)C1)CCNC2 2094407723 TWTSNNGIWISDBE-JTQLQIEISA-N 282.365 -0.071 10 10 CBCE C[C@@H](N)c1nc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 2130117525 PNXATKLPOHSACF-SCSAIBSYSA-N 264.245 -0.117 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@H]2COC[C@H]21 2158406967 CCJCBYRGDJJBRQ-CWSCBRNRSA-N 279.292 -0.142 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@]1(CN)CCOC1 2188922593 HZUABXGBFMCPNU-ZDUSSCGKSA-N 282.296 -0.007 10 10 CBCE CS(=O)(=O)C[C@@H]1NC(=O)N(c2ccc(N)cc2)C1=O 2335483747 RZMQQDHBFAQGTL-VIFPVBQESA-N 283.309 -0.262 10 10 CBCE C[C@@H](c1ccccc1O)N(C)C(=O)CNC(=O)CN 37826603 CHFCLXZYODQBAZ-VIFPVBQESA-N 265.313 -0.014 10 10 CBCE NC(=O)NC(=O)COC(=O)CCOc1ccc(N)cc1 41100731 BZHRIYKKAUFLKL-UHFFFAOYSA-N 281.268 -0.224 10 10 CBCE COc1ccc(O)c(CNC(=O)[C@H](O)CCN)c1 83398241 JEVCYQJXCOQPQQ-LLVKDONJSA-N 254.286 -0.273 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2CCCNC(=O)C2)cc1 87882909 HLVMABIDNAJEMM-LBPRGKRZSA-N 279.340 -0.170 10 10 CBCE CN1CCc2cc(CN3CCNC[C@@H]3C(N)=O)ccc21 88659597 PRBKQMVSLJUOLJ-CQSZACIVSA-N 274.368 -0.062 10 10 CBCE CN(C)C(=O)[C@@H]1CNCCN1Cc1ccc(O)c(O)c1 89083279 UHKSVCTVMNWWMI-NSHDSACASA-N 279.340 -0.040 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 316314166 BJNJRMPYIAVSNQ-PWSUYJOCSA-N 286.353 -0.616 10 10 CBCE CN1CCNC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 394101440 FUAHCISHNZYBKB-SNVBAGLBSA-N 265.313 -0.269 10 10 CBCE Oc1ccc(CNC[C@@H]2CN3CCN2CC3)c(O)c1O 394789019 IJCGSUWNKVWUHI-LLVKDONJSA-N 279.340 -0.107 10 10 CBCE N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)CCN2C1 405291297 YBYOGRMVYODWEO-GHMZBOCLSA-N 277.324 -0.045 10 10 CBCE NC(=O)[C@@H]1CN(c2ccc(CO)cc2F)C[C@@H]1C(N)=O 693463252 SFAKCRYCBICPKZ-DTORHVGOSA-N 281.287 -0.659 10 10 CBCE C[C@@H](NC(N)=O)C(=O)NCCOc1ccc(N)cc1 700774840 IQZLAFMHDZMMDG-MRVPVSSYSA-N 266.301 -0.179 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](CO)[C@H](CO)C3)ccc21 704783341 JKDRBRMUBUEKOZ-MWODSPESSA-N 277.324 -0.325 10 10 CBCE C[C@@H](C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 711127664 NAKZBDUUURPNQT-CBAPKCEASA-N 281.312 -0.700 10 10 CBCE CC(=O)C(=O)COC(=O)CNC(=O)N1CCCC1 923009862 OILXHKUPNITPBF-UHFFFAOYSA-N 256.258 -0.507 10 10 CBCE Nc1ncn(CC(=O)NCc2ccc(O)c(O)c2)n1 1622643091 IHUWMTMBNKJEMB-UHFFFAOYSA-N 263.257 -0.412 10 10 CBCE NCC1(O)CN(C(=O)CCOc2ccc(N)cc2)C1 1876456384 OGVZPLOWONKUIM-UHFFFAOYSA-N 265.313 -0.430 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(S(=O)(=O)C2CS(=O)(=O)C2)C1 1912168849 GIOBIMOFOIARKD-ZCFIWIBFSA-N 280.331 -0.502 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)N2CC[C@H](O)C2)C1 1912172006 QOBVTPDFHJKUNE-YUMQZZPRSA-N 261.307 -0.318 10 10 CBCE Nc1ccc(CN2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)cc1 1924759320 QJZFWKMCJHNMCK-PHIMTYICSA-N 294.332 -0.202 10 10 CBCE O=C1N[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]2NC1=O 1974194759 XWNGFIHGSXHBEA-AOOOYVTPSA-N 295.726 -0.156 10 10 CBCE COc1cc(N)c(N2CC(O)(CO)C2)cc1OC 2051895795 XYVHDAKIFINMSY-UHFFFAOYSA-N 254.286 -0.171 10 10 CBCE C[C@]1(O)CON(C(=O)c2cc(O)c(O)c(O)c2)C1 2068567797 SVPXJLGGLKLJKA-LLVKDONJSA-N 255.226 -0.058 10 10 CBCE C[C@H](O)CN(CCO)C(=O)c1cc(O)c(O)c(O)c1 2132348854 UJCGVVTXYXWIGW-ZETCQYMHSA-N 271.269 -0.381 10 10 CBCE Nc1cc2c(cc1N1CCN(C=O)CC1)NC(=O)CO2 2162986565 HMCZLYNQZVWIMM-UHFFFAOYSA-N 276.296 -0.122 10 10 CBCE CN(Cc1ccc(N)cc1)S(=O)(=O)N1CC(C(=O)O)C1 2164307283 PFNLFLDITWJZBI-UHFFFAOYSA-N 299.352 -0.038 10 10 CBCE OCc1ccc(N2CCN(C[C@@H](O)CO)CC2)c(F)c1 2178035403 PWXKAQTWCMTCPE-GFCCVEGCSA-N 284.331 -0.207 10 10 CBCE Nc1ccc(OCCC(=O)NCC2(CO)CNC2)cc1 2201716406 QWGDZZMCKZZCLV-UHFFFAOYSA-N 279.340 -0.264 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(CO)c1 2227675867 NBTYHUVVAKQUID-RWMBFGLXSA-N 269.297 -0.910 10 10 CBCE Nc1ccc(OCC(=O)N2CCNCCNCC2)cc1 2236200301 GPNORCYIGSIANT-UHFFFAOYSA-N 278.356 -0.331 10 10 CBCE Nc1ccc(CC(=O)NC2CC(O)(CO)C2)cc1 2256982520 JGGHIXQXXBJLBX-UHFFFAOYSA-N 250.298 -0.187 10 10 CBCE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccc(O)c(F)c1 2270516032 SRTGMTFRJCIIRG-MRVPVSSYSA-N 292.288 -0.227 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@]23CO[C@@H](C2)[C@H](N)C3)cc1 2281195002 MKDRETQSZXBLAD-FRRDWIJNSA-N 297.380 -0.053 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCN(CCO)CC2)cc1 35609536 MJXMETIBLDRBAJ-UHFFFAOYSA-N 299.396 -0.292 10 10 CBCE Cc1ccc([C@H](N)C(=O)NCCOCCO)c(O)c1 83497404 MBNCDKLPYPKVKO-LBPRGKRZSA-N 268.313 -0.174 10 10 CBCE O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1CO 236509145 ZJGDHFONDYXICF-GHMZBOCLSA-N 254.242 -0.371 10 10 CBCE CN1C[C@H](NC(=O)COc2ccc(N)cc2)C(=O)N1 393907514 QGRNNYYBJDTTFA-JTQLQIEISA-N 264.285 -0.891 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC(CC(N)=O)C3)cc21 723183557 VBPKUXYXDYRIHO-CYBMUJFWSA-N 274.324 -0.026 10 10 CBCE O=[N+]([O-])c1cc(CO)ccc1N1CC(CO)(CO)C1 1914979843 ISFDOSUFQZFAFH-UHFFFAOYSA-N 268.269 -0.122 10 10 CBCE NC(=O)C1(O)CN(CCC(=O)Nc2ccc(N)cc2)C1 1915222968 GXPREKAWSWXHEM-UHFFFAOYSA-N 278.312 -0.871 10 10 CBCE NCCN1CCC(NC(=O)c2cc(O)nc(O)c2)CC1 1918381709 ITTPDNVMAZXYRK-UHFFFAOYSA-N 280.328 -0.354 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)cc1O 2046513961 JZEMBHOJAVAYAS-IGCXTIMSSA-N 255.270 -0.958 10 10 CBCE CN1C[C@H](NCc2cc3c(cc2O)OCO3)[C@H](O)C1 2090333504 JSVTUFJEHLONAK-GXSJLCMTSA-N 266.297 -0.115 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@H]1C(=O)O 2157503159 KDXOCIVOWIGMCJ-VGMNWLOBSA-N 280.280 -0.443 10 10 CBCE C[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@H]1O 2197968700 VBFUMAUOZGLLID-BZPMIXESSA-N 277.324 -0.040 10 10 CBCE O=C1Nc2cc(N3CC(O)(CCO)C3)c(F)cc2[C@@H]1O 2286193871 WKXAUQNYMRCOKA-NSHDSACASA-N 282.271 -0.255 10 10 CBCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2311710897 ZMMDXDJTTIVVDR-KKBFJBPOSA-N 252.314 -0.391 10 10 CBCE C[C@@H](c1cc(F)ccc1O)N(CC(N)=O)CC(N)=O 134020890 JGNOBDLXXBZLFI-ZETCQYMHSA-N 269.276 -0.135 10 10 CBCE O=C1NCCN(c2ccc3c(c2)OCCO3)[C@@H]1CO 217059017 HOKMUJXPNREZKI-SNVBAGLBSA-N 264.281 -0.245 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COCC[C@H]2N)cc1 1876448629 GWCIRPXUAPWPSS-VXGBXAGGSA-N 265.313 -0.120 10 10 CBCE N[C@@H]1COCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1972841886 VOWWBXWIRKEFJX-JTQLQIEISA-N 266.297 -0.174 10 10 CBCE NCc1ccc(N2CC(OCC(N)=O)C2)cc1F 2028709588 DNCHKLTXQIOQBD-UHFFFAOYSA-N 253.277 -0.025 10 10 CBCE COC1(CO)CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2101066101 AOSMVICUYFLQGQ-NSHDSACASA-N 264.281 -0.130 10 10 CBCE OCc1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 2121543966 SGVIZGBXRDVWLT-AWEZNQCLSA-N 266.341 -0.346 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@@H](O)[C@H]3CO)ccc21 2136339841 MXHQAZNGNXEFLP-MQYQWHSLSA-N 264.325 -0.465 10 10 CBCE CNCCc1nc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 2185307542 LROSEFYMRHEILS-UHFFFAOYSA-N 278.272 -0.375 10 10 CBCE O=C(NC[C@@H](O)c1cnc[nH]1)c1cc(O)c(O)c(O)c1 2188868909 YVMJDHDQTHZTBB-SNVBAGLBSA-N 279.252 -0.010 10 10 CBCE N[C@]1(C(=O)O)CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188918570 GHMQIKGIKXLYQE-GFCCVEGCSA-N 282.252 -0.569 10 10 CBCE N=c1nnc(OC[C@]23CCCC[C@@H]2CNC3)n[nH]1 2222986830 RPYCSCLJTUVJNP-LDYMZIIASA-N 250.306 -0.162 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1F 2289486498 WYECXQDKASDBLX-GMOODISLSA-N 288.294 -0.426 10 10 CBCE COc1ccc(N2CC([C@@H](O)CO)C2)c(CO)c1 2315267601 AZCBNCYHSDMAHE-ZDUSSCGKSA-N 253.298 -0.023 10 10 CBCE O=C([C@H]1CNc2ccccc2N1)N1CC[C@@H](O)[C@@H](O)C1 2356919948 MWFVDCKDFJCTFP-UPJWGTAASA-N 277.324 -0.153 10 10 CBCE C[C@@H](CNC(=O)[C@H]1CNc2ccccc2N1)S(N)(=O)=O 398440670 XTCSNDDTEFGUCL-GZMMTYOYSA-N 298.368 -0.314 10 10 CBCE CN1C(=O)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 1568134429 VSGZUVMZTFLIHL-HYXAFXHYSA-N 290.275 -0.062 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2COC[C@@H]2N)cc1 1876456596 PFKWTZRDMCMFBE-NWDGAFQWSA-N 265.313 -0.120 10 10 CBCE NC(=O)C[S@](=O)CC(=O)c1ccc(O)c(O)c1 1942054588 GBEQOANAOBCEQB-QGZVFWFLSA-N 257.267 -0.486 10 10 CBCE N[C@H](C(=O)O)[C@@H](O)c1ccc(N2CCOCC2)cc1 1951908301 VNLYWUVZWYEUIH-RYUDHWBXSA-N 266.297 -0.032 10 10 CBCE O=S1(=O)C[C@H](c2cc(O)ccc2O)NCCN1 1952449578 SNXDSYRVMRDPBS-SECBINFHSA-N 258.299 -0.339 10 10 CBCE C[C@H](O)[C@@H](CO)NC(=O)COc1ccc(N)cc1 2053794922 KQNBCRRNVCJHKE-GZMMTYOYSA-N 254.286 -0.495 10 10 CBCE COC[C@@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 2099403479 UNGBUPUPFCWCOH-LBPRGKRZSA-N 267.329 -0.437 10 10 CBCE COc1cccc(CNCCCNS(N)(=O)=O)c1O 2101323211 BEYJDTZIFLDXAY-UHFFFAOYSA-N 289.357 -0.326 10 10 CBCE NC[C@@H]1CNCCN1C(=O)c1cc(O)c(O)c(O)c1 2132418532 LBGBHLNALXIBBW-MRVPVSSYSA-N 267.285 -0.824 10 10 CBCE N[C@]1(C(=O)O)C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 2151215576 FADSIYVGTYRFDH-XCSCGOTBSA-N 280.280 -0.299 10 10 CBCE CON(CC(=O)O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2158366387 WRNPLDVBUDXYIU-QMMMGPOBSA-N 284.268 -0.558 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@]1(O)CCCNC1 2183279008 MQZCOJAQHRLDFR-AWEZNQCLSA-N 280.324 -0.129 10 10 CBCE N[C@H]1COC[C@@H]1CCNC(=O)c1cc(O)c(O)c(O)c1 2188912381 JVDAYNMLQNIQOB-CBAPKCEASA-N 282.296 -0.103 10 10 CBCE NC[C@@H](CO)NC(=O)c1ccn(-c2ccc(N)cc2)n1 2191899558 ZSKWEXMJXFPDGB-JTQLQIEISA-N 275.312 -0.496 10 10 CBCE C[C@@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 2197951594 GHMLMLHXFXAFJS-GXTWGEPZSA-N 281.308 -0.016 10 10 CBCE CNCc1cc(OC)ccc1N1C[C@H](O)[C@H](O)C1 2220408224 GMXYQIWFURFRTJ-BETUJISGSA-N 252.314 -0.044 10 10 CBCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1O 2234097709 POWWSDOXIYMZEF-FZZIBODNSA-N 283.324 -0.260 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@H]1NC(=O)COc1ccc(N)cc1 2271172075 YMRGTQPLBUKBSI-MDZLAQPJSA-N 266.297 -0.088 10 10 CBCE Nc1ccc(OCC(=O)NCCOC2CNC2)cc1 2337153870 OHAKHAOJLCHUFR-UHFFFAOYSA-N 265.313 -0.248 10 10 CBCE CN(C(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[C@H]1C[C@H](O)C1 2355836971 XGXPVJDHLJODFT-DCAQKATOSA-N 280.324 -0.051 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)[C@@H](O)C1 229886164 UPMDZERGDLADTL-SRVKXCTJSA-N 263.297 -0.543 10 10 CBCE C[C@H](O)CN(CCO)C[C@@H](O)COc1ccc(N)cc1 313590585 ZIBUKLJVTXDYBV-WCQYABFASA-N 284.356 -0.316 10 10 CBCE CN1CC[C@](O)(CNC(=O)c2ccc(O)c(O)c2)C1 702572104 YYCVQOBFQYNADZ-ZDUSSCGKSA-N 266.297 -0.106 10 10 CBCE CC(=O)C(=O)COC(=O)c1nnn(C(C)(C)C)n1 849895363 ULBDKGRDFWKOCT-UHFFFAOYSA-N 254.246 -0.257 10 10 CBCE NC(=O)CO[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 1971440424 DBGBEEHPJYFQHM-LBPRGKRZSA-N 277.324 -0.086 10 10 CBCE CS(=O)(=O)N1CC(NCc2cccc(O)c2O)C1 2028754947 IURVZRLYICOASL-UHFFFAOYSA-N 272.326 -0.169 10 10 CBCE CN(Cc1ccccc1O)[C@@H]1CS(=O)(=O)C[C@H]1N 2072462477 RIWIBPDLCWUFKM-GHMZBOCLSA-N 270.354 -0.052 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@H]1CC(=O)NC1=O 2114739833 LZLQNTANHBVIFI-ZETCQYMHSA-N 264.237 -0.415 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)C[C@@H]1O 2116186951 DVIFUOQORPQMSG-ZOFUNIGCSA-N 266.297 -0.074 10 10 CBCE Nc1ccc(NC(=O)N2CCOC[C@H]2[C@H](O)CO)cc1 2146335451 WLZIFOYICYMITE-NWDGAFQWSA-N 281.312 -0.145 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)C[C@@H](O)C3)cc21 2161355086 RDJBNPQUEUPMEA-GBIKHYSHSA-N 277.324 -0.405 10 10 CBCE O=C1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CO1 2264190981 INEHZWUREQVELK-LURJTMIESA-N 253.210 -0.151 10 10 CBCE C[C@H](CC(N)=O)NS(=O)(=O)Cc1ccc(N)cc1 136074842 UYZBEVXFTLTYKI-MRVPVSSYSA-N 271.342 -0.048 10 10 CBCE Nc1ccc(N2C(=O)C[C@@H](N3CCNCC3)C2=O)cc1 137477223 AIBDUVBQQOMJSK-GFCCVEGCSA-N 274.324 -0.194 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1cc(F)ccc1O 236208307 WPJFCPRXTLTPJV-UHFFFAOYSA-N 255.249 -0.696 10 10 CBCE O=C(CN1CCOCC1=O)NCc1ccc(O)c(O)c1 279724473 IRXRUNJSMRWHLP-UHFFFAOYSA-N 280.280 -0.427 10 10 CBCE CS(=O)(=O)NCC(=O)NCc1ccc(N)cc1 310213359 VJJUAJZCJOBOJN-UHFFFAOYSA-N 257.315 -0.566 10 10 CBCE O=S1(=O)CC(CNCc2ccc(O)c(O)c2O)C1 701867783 LQWDLQWTBDIBFL-UHFFFAOYSA-N 273.310 -0.062 10 10 CBCE CNC(=O)CN(C)C(=O)Cc1ccc(O)c(O)c1 1135591680 VCSKSDWOCXGPPN-UHFFFAOYSA-N 252.270 -0.155 10 10 CBCE O=C(NCc1ccc(O)cc1O)[C@@H]1CCS(=O)(=O)N1 1451757083 LIUHYEXLAMDSEN-VIFPVBQESA-N 286.309 -0.594 10 10 CBCE O=C1C[C@@H](c2ccc(O)c(O)c2O)[C@H](C(=O)O)C(=O)N1 1951852138 BVSUBYHETHKSRL-XNCJUZBTSA-N 281.220 -0.366 10 10 CBCE C[C@](O)(CCO)CNC(=O)c1cccc(O)c1O 2045282398 HPIYRGFZVOHRML-LBPRGKRZSA-N 255.270 -0.039 10 10 CBCE CNC(=O)C1(NS(=O)(=O)Cc2ccc(N)cc2)CC1 2103567798 QXWORUOHANIPMT-UHFFFAOYSA-N 283.353 -0.033 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCN(CCO)CC2)cc1 36798234 VMJXDALWXLARCM-CQSZACIVSA-N 295.383 -0.382 10 10 CBCE NCC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 82585652 XIVYHMUDYQFINT-UHFFFAOYSA-N 274.324 -0.212 10 10 CBCE O=C1NC(=O)[C@]2(CCN(C(=O)c3cccc(O)c3O)C2)N1 126647436 PWHNBWJKWJIWLF-CYBMUJFWSA-N 291.263 -0.478 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@H](CO)C1 167126033 JOTZSFVCOKMFSC-QWRGUYRKSA-N 296.323 -0.813 10 10 CBCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@H]1CNC(=O)CN1 230880571 JBPFADZOERRPJZ-GXSJLCMTSA-N 277.324 0.000 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](O)[C@H](CO)C1 396809757 QDRBYBBMIXNSDK-DTWKUNHWSA-N 268.269 -0.692 10 10 CBCE CN(C[C@H](O)COc1ccc(N)cc1)[C@@H]1COC[C@@H]1O 709265588 LFYHUBZCPSBTGH-YUTCNCBUSA-N 282.340 -0.300 10 10 CBCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCNC[C@H]1OC 1912204066 IKKCTWOSRFQYGJ-SCZZXKLOSA-N 257.294 -0.194 10 10 CBCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2104837364 MEFZQYDDZKVLHN-MBTKJCJQSA-N 287.345 -0.435 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c(O)c1 2108832879 SFDLLNQIZHBATQ-LPTSXCQYSA-N 269.297 -0.655 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC(O)(CO)C3)cc21 2115313558 IKUWMJMMZPRXMV-NSHDSACASA-N 263.297 -0.794 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N(C)C3CS(=O)(=O)C3)cc21 2152233335 GFLYLTJNFOVTMI-GFCCVEGCSA-N 295.364 -0.104 10 10 CBCE COc1cc(N2CC3(C2)OC[C@@H](O)[C@H]3O)ccc1CN 2204546253 ZMNHAUGTBFESGC-DGCLKSJQSA-N 280.324 -0.535 10 10 CBCE N[C@H]1CCc2cc(N3CC[C@](O)(CO)[C@H](O)C3)ccc21 2234097601 VIDJJMXAAAAMPS-ZNMIVQPWSA-N 278.352 -0.073 10 10 CBCE COC(=O)CCNC(=O)[C@H](N)c1cc(O)ccc1O 83496897 PVPMYRKMBSVSOF-LLVKDONJSA-N 268.269 -0.223 10 10 CBCE NC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCOc1ccc(N)cc1 103475906 OKKKTHQCXNRGDH-JQWIXIFHSA-N 293.323 -0.515 10 10 CBCE C[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 136131888 YNVDYJNTVMIGKG-APPZFPTMSA-N 281.312 -0.652 10 10 CBCE NS(=O)(=O)CCCCNC(=O)c1ccc(O)c(O)c1 311939251 VWXBEOORNIPBQC-UHFFFAOYSA-N 288.325 -0.104 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COC[C@@H]2O)cc1 323344624 YDSNAVLRPHDYPK-QWRGUYRKSA-N 272.326 -0.552 10 10 CBCE CC(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723178004 WYLTWWRFJLHDJM-GFCCVEGCSA-N 260.297 -0.037 10 10 CBCE [N-]=[N+]=NC1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)C1 1912209047 YJSHKOPURPFMSV-QMMMGPOBSA-N 266.305 -0.295 10 10 CBCE Nc1ccc(CO[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 1924871810 HAPPHKWARQDSGS-GHMZBOCLSA-N 257.311 -0.057 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2NCCO[C@@H]2C1 2097691849 CZOCUYKOHAKLAV-GXSJLCMTSA-N 264.281 -0.089 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC(O)(CO)C3)c(Cl)cc21 2115313043 CMDQGMUNNLCEBV-JTQLQIEISA-N 283.715 -0.165 10 10 CBCE CCO[C@H]1CNCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2146728832 FOMKYNOMTUIAOC-UWVGGRQHSA-N 281.312 -0.010 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H](O)[C@@H](F)C1 2149205301 YSGKLKYCUFJNTE-AUTRQRHGSA-N 284.287 -0.491 10 10 CBCE COC1(C(N)=O)CN(C(=O)CCc2ccc(N)cc2)C1 2161184074 SQAYZJBFODNPMH-UHFFFAOYSA-N 277.324 -0.086 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1 2205613037 OQGVGKCJZONNPD-MDZLAQPJSA-N 284.287 -0.450 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1 2289331796 QWISUTYYJHIGEH-YDEJPDAXSA-N 288.294 -0.426 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1O 2289357696 KBIOXLUZDZUSDJ-WBRVRECLSA-N 283.324 -0.404 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2CCC(=O)NC2=O)cc1 89751106 KFUAGAZLQSAFCL-NSHDSACASA-N 291.307 -0.041 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)CN1C(=O)CNC1=O 706098351 GMWKDKNSUUJJDI-ZETCQYMHSA-N 266.261 -0.161 10 10 CBCE COc1ccc(CNC(=O)CN2CC(=O)NC2=O)c(O)c1 794377543 PLRRSQJGRDYFPR-UHFFFAOYSA-N 293.279 -0.431 10 10 CBCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(N)=O 798338417 PHODSIMXZUKOQO-ZETCQYMHSA-N 267.285 -0.187 10 10 CBCE Cc1ccc(C(=O)N2C[C@@H](O)[C@@H](CO)C2)c(O)c1O 1299167749 BIJJDDZZLKELAN-PSASIEDQSA-N 267.281 -0.169 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCn1cnnn1 1588188693 KIVFEGISPLMKAZ-UHFFFAOYSA-N 263.257 -0.557 10 10 CBCE C[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 1912174200 WGBVVUUNHHBPBC-CBAPKCEASA-N 275.334 -0.293 10 10 CBCE NC[C@@H](c1ccc(O)c(O)c1)N1CCS(=O)(=O)CC1 2087117486 WNHHPWDASUCGBZ-JTQLQIEISA-N 286.353 -0.172 10 10 CBCE N[C@@H]1C[C@H](O)[C@H](CNC(=O)c2cccc(O)c2O)C1 2096481361 SGTAIHUHNKGMFF-LAEOZQHASA-N 266.297 -0.074 10 10 CBCE CS(=O)(=O)CNC(=O)NCCOc1ccc(N)cc1 2138330421 XKDCERXEVFWMAP-UHFFFAOYSA-N 287.341 -0.051 10 10 CBCE O=C(NCCn1cnnn1)[C@H]1CNc2ccccc2N1 2146586282 NSOGCVOWXAOCSX-LLVKDONJSA-N 273.300 -0.305 10 10 CBCE Cc1cccc(CN2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)c1O 2166791367 RVXMHFSKLZPUGB-GHMZBOCLSA-N 275.308 -0.501 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@@H]2COC[C@@H]21 2188873823 AKCWHQCEISKZAN-FYBVGQRMSA-N 281.264 -0.365 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1CO 2188925260 SYAYDKUDEUTCTL-IONNQARKSA-N 282.296 -0.415 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1F 2219612451 MWOKXSCOOMYUQC-NHCYSSNCSA-N 257.261 -0.263 10 10 CBCE CNCCn1cc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)cn1 2225236651 REAPUAPUQFXVBZ-HOMQSWHASA-N 264.329 -0.018 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1O 2332916961 XNYUOBIBPNXKCZ-SWMFJSFKSA-N 269.297 -0.652 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCn2ccnn2)cc1 126091545 ZQLKBYIKRBWSTG-UHFFFAOYSA-N 281.341 -0.020 10 10 CBCE COc1cccc(CN(CC(N)=O)CC(N)=O)c1O 134020446 NISPAMGLFOHWDC-UHFFFAOYSA-N 267.285 -0.827 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1CNC(=O)CN1 230879845 NAMVNQSDTBKXAX-JTQLQIEISA-N 263.297 -0.561 10 10 CBCE CN(C[C@@H](O)CO)c1ccc2c(c1)NC(=O)CO2 258944695 KCUWEAVGBSZORA-SECBINFHSA-N 252.270 -0.193 10 10 CBCE O=C1NC(=O)[C@@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@@H]12 388158213 SHKZDBGHGJIROL-HTQZYQBOSA-N 276.248 -0.558 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@H]1CO 687591859 QQYXFZHHQNGGGM-GXFFZTMASA-N 277.324 -0.215 10 10 CBCE COC[C@H](ONC(=O)c1cc(O)nc(O)c1)C(=O)O 709590088 VILFJMHYIGQXPN-LURJTMIESA-N 272.213 -0.746 10 10 CBCE O=C(N[C@H]1COCC[C@@H]1O)c1cc(O)c(O)c(O)c1 1148590200 YQOSNAGGCKQHIG-YUMQZZPRSA-N 269.253 -0.317 10 10 CBCE Nc1ccc(OCC(=O)NCC[C@H](N)C(=O)O)cc1 1876525504 MXENHXUULFIBKF-JTQLQIEISA-N 267.285 -0.434 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CNCC[C@@H]2O)cc1 1876668809 CZKSXKOKMYRBIY-NEPJUHHUSA-N 265.313 -0.513 10 10 CBCE CNC1(C(N)=O)CN(Cc2ccc(O)c(O)c2)C1 2047099580 WUQXEPZSBIJFFH-UHFFFAOYSA-N 251.286 -0.643 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NCc1cccc(O)c1O 2053780491 PKQUONKDOTYIKE-KWQFWETISA-N 252.270 -0.170 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2081009664 PTRUHHNAZRIZEB-SDDRHHMPSA-N 256.277 -0.813 10 10 CBCE O=C(c1ccc(O)c(O)c1)N(C1CNC1)C1COC1 2087488106 UMMITOGUCPGMKF-UHFFFAOYSA-N 264.281 -0.089 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)cc1 2108824072 CQAKDAOECGKKMO-VPOLOUISSA-N 267.285 -0.755 10 10 CBCE Nc1ccc(OCCN2CCOC[C@@H]2[C@@H](O)CO)cc1 2146328875 JRWQREXLMWDRDG-KGLIPLIRSA-N 282.340 -0.298 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H](O)C3)ccc21 2161353988 DKKQSCAKCAMBGY-KWBADKCTSA-N 277.324 -0.169 10 10 CBCE NCc1ccc(N2CCN(C[C@H](O)CO)CC2)cc1F 2178039312 DLIRMGYCSFLJNH-ZDUSSCGKSA-N 283.347 -0.240 10 10 CBCE OCc1cc(F)c(N2CC[C@@](O)(CO)[C@H](O)C2)c(F)c1 2234094942 CYBZRVSECZPFJL-DGCLKSJQSA-N 289.278 -0.249 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2289411024 LIIJTHUEAFGHFF-VHDGCEQUSA-N 280.368 -0.153 10 10 CBCE Cn1nnc(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)n1 127206332 ZTPBPDJMTROEMP-ZETCQYMHSA-N 278.272 -0.870 10 10 CBCE C[C@@H]1O[C@H](Oc2ccc(N)cc2)[C@H](O)[C@H](O)[C@H]1O 255966889 CITVZWPAGDTXQI-CZDOKNLBSA-N 255.270 -0.525 10 10 CBCE NC(=O)[C@]1(O)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 312242949 CWSMKIHZLLSOPJ-LBPRGKRZSA-N 299.352 -0.979 10 10 CBCE COCCN1CC[C@](NCCCN=[N+]=[N-])(C(N)=O)C1 328469973 KXCIIMFJBVTYBW-LLVKDONJSA-N 270.337 -0.147 10 10 CBCE O=C(NCc1cc(O)ccc1O)C1(n2cnnn2)CC1 1593882579 ZHIICDZCGUFFQS-UHFFFAOYSA-N 275.268 -0.110 10 10 CBCE O=C(NCCCS(=O)(=O)O)c1cc(O)c(O)c(O)c1 1865876238 YXNSZIGGAPGAFZ-UHFFFAOYSA-N 291.281 -0.189 10 10 CBCE O=C(O)[C@@H](NCc1ccccc1O)C1CS(=O)(=O)C1 1890954882 IAWWVEZEUZZOSN-NSHDSACASA-N 285.321 -0.020 10 10 CBCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)CO 2027475399 RYZQZZZRALOGIZ-CPCISQLKSA-N 255.270 -0.502 10 10 CBCE N=c1nnc(OC[C@H](N)CC2CCOCC2)n[nH]1 2219020619 JQUIVPYXZBKBOX-MRVPVSSYSA-N 254.294 -0.798 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(OC)c1 2289510129 DKMRMJBILGFEFY-LJWDBELGSA-N 283.324 -0.146 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1OC 2333691585 GVVCCOHUPJNCAL-CWSCBRNRSA-N 269.297 -0.394 10 10 CBCE O=C1COc2ccc(N3CCNCC3)cc2N1CCO 31947275 LUEJMRQKXWTWMU-UHFFFAOYSA-N 277.324 -0.186 10 10 CBCE O=C(O)[C@H](O)[C@H]1NCCc2c1cc(O)c(O)c2O 75818772 RHPREIRXBIDFAP-OIBJUYFYSA-N 255.226 -0.564 10 10 CBCE CN(C)C(=O)CS(=O)(=O)CC(=O)Nc1ccc(N)cc1 312220128 ZWOZXDATNSWNFG-UHFFFAOYSA-N 299.352 -0.290 10 10 CBCE Nc1ccc(OCCC(=O)NCCc2nnn[nH]2)cc1 312280225 AAGSSCRCWXAKHY-UHFFFAOYSA-N 276.300 -0.090 10 10 CBCE COCC1(O)CN(CC(=O)N(C)c2ccc(N)cc2)C1 384111427 HKLFNPAIPHCBPK-UHFFFAOYSA-N 279.340 -0.075 10 10 CBCE O=C1C[C@@H](C(=O)NCc2cc(O)ccc2O)NC(=O)N1 1303225718 OFXPKJXMTWYKLP-QMMMGPOBSA-N 279.252 -0.688 10 10 CBCE O=C(c1cccc(O)c1O)N1CCO[C@H](c2nn[nH]n2)C1 1628288267 FLBUAALLFPVRBV-VIFPVBQESA-N 291.267 -0.175 10 10 CBCE CON(C)C(=O)CNS(=O)(=O)Cc1ccc(N)cc1 1876536528 ZSNCSXJSMVXHLR-UHFFFAOYSA-N 287.341 -0.292 10 10 CBCE COc1ccc(N2CC(N)(C(N)=O)C2)c(OC)c1 2047092965 GAHZBIVKQDGAEX-UHFFFAOYSA-N 251.286 -0.293 10 10 CBCE CO[C@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1N 2058639172 MWTAFHMFOAWQIK-KCJUWKMLSA-N 252.270 -0.104 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1N 2089912445 VLAYFOIMLINFIQ-NXEZZACHSA-N 265.313 -0.189 10 10 CBCE CCc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1O 2108829678 POKPKTFLDNHRTO-XWUBHJNHSA-N 267.325 -0.101 10 10 CBCE Oc1cccc2c1[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@H]1O)CC2 2108831028 KUNWZWAMTFUIEK-IEUKRNLTSA-N 265.309 -0.176 10 10 CBCE CN(C)[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 2146137861 LSIWAUZGAINFNY-QWHCGFSZSA-N 299.396 -0.295 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H]2NC(=O)C(=O)N[C@@H]2C1 2166790742 KCBOFRXIKXJYNW-GHMZBOCLSA-N 274.324 -0.743 10 10 CBCE Oc1ccc(CN[C@H]2CCn3nnnc3C2)c(O)c1O 2175912399 QGGRPTJNTUNLPP-QMMMGPOBSA-N 277.284 -0.106 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@@H]3[C@H](O)CO)ccc21 2179795070 NLAWOZGAUGDCMR-UPJWGTAASA-N 277.324 -0.040 10 10 CBCE N[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1(O)CCC1 2188071908 KJPPNBIOLRVQOE-GFCCVEGCSA-N 280.324 -0.001 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CO[C@H]3CNC[C@H]23)cc1 2191731152 PXANNZWUPCNPJJ-UPJWGTAASA-N 277.324 -0.249 10 10 CBCE O=C1Nc2cc(N3CC(O)(CCO)C3)ccc2[C@@H]1O 2270672645 XMBXABULAAHALS-NSHDSACASA-N 264.281 -0.394 10 10 CBCE CO[C@H]1CC(=O)CN(C(=O)c2cc(O)nc(O)c2)C1 2344695089 IQPSZFOLTGYTPK-VIFPVBQESA-N 266.253 -0.077 10 10 CBCE O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1ccccc1O 228423844 GZPAGYKHIKDMNP-NSHDSACASA-N 298.364 -0.215 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@@]1(C(=O)O)CCOC1 380832665 KMZYWUUBSOMXQB-LBPRGKRZSA-N 282.252 -0.192 10 10 CBCE CO[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1O 395317389 JTUICSTVASVCQF-NXEZZACHSA-N 253.254 -0.071 10 10 CBCE CC(=O)NC1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C1 723182635 NGGDZGPCCUDCQG-CYBMUJFWSA-N 274.324 -0.013 10 10 CBCE Nc1ccc(CCNS(=O)(=O)C[C@@H]2CNCCO2)cc1 866761500 RKQUYAZZUFXFPS-ZDUSSCGKSA-N 299.396 -0.281 10 10 CBCE NC(=O)C1(C(=O)NCc2cc(O)ccc2O)CC1 1471661222 JUYCXKHNYFXJSL-UHFFFAOYSA-N 250.254 -0.021 10 10 CBCE N[C@H]1C[C@H](O)CN(C(=O)c2cccc(O)c2O)C1 2049114934 WJGRHJZVEMXHPO-YUMQZZPRSA-N 252.270 -0.368 10 10 CBCE Nc1ccc(OCC(=O)N[C@H](CO)CCCO)cc1 2090382177 MDRJKZXXLVMDHP-NSHDSACASA-N 268.313 -0.103 10 10 CBCE N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(O)c2O)C1 2096481362 SGTAIHUHNKGMFF-VHSKPIJISA-N 266.297 -0.074 10 10 CBCE CNCc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2127256821 DRQQVIPBLRBGQB-QWHCGFSZSA-N 264.325 -0.283 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCC(CO)CO)cc1 2127913030 VUIXSWHDIBSXBA-UHFFFAOYSA-N 288.369 -0.321 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2136334925 GASPSFPGRZZQPI-HYNSBDGHSA-N 266.341 -0.130 10 10 CBCE CN(C)[C@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H]1O 2146138459 PSDVSUQCMQUQOL-QWHCGFSZSA-N 278.356 -0.186 10 10 CBCE O=C(O)[C@@H]1[C@@H]2OCCN(C(=O)c3cc(O)nc(O)c3)[C@H]21 2149279091 DOQSETWCTLGCQL-GUBZILKMSA-N 280.236 -0.583 10 10 CBCE CNCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166790210 DGNZNPYWFDFOFE-TXEJJXNPSA-N 274.324 -0.791 10 10 CBCE NCc1ccc(N2CCN(C[C@H](O)CO)CC2)c(F)c1 2178040942 SZNFMEXZBKQQKW-LBPRGKRZSA-N 283.347 -0.240 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@]2(CO)CCNC2)cc1 2191896900 IIFZZGSEIPDHIT-AWEZNQCLSA-N 279.340 -0.122 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2CNCCS2(=O)=O)c1O 2204628690 ZHZMNZVPPAQWLV-NSHDSACASA-N 298.364 -0.297 10 10 CBCE COCCNS(=O)(=O)NCc1cc(N)ccc1O 128340643 MRFXUIOPSHAEJH-UHFFFAOYSA-N 275.330 -0.455 10 10 CBCE CN1C(=O)CC[C@@H](NC(=O)c2ccc(O)c(O)c2)C1=O 234333869 HWHXDEFTRPAJHY-MRVPVSSYSA-N 278.264 -0.025 10 10 CBCE CN(CCNC(=O)Cc1ccc(N)cc1)S(C)(=O)=O 692521657 HPJAUXBHLLCWII-UHFFFAOYSA-N 285.369 -0.181 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)C[C@H]1CO)OCCO2 704727209 KOLAEYAFOYBSAC-DTWKUNHWSA-N 266.297 -0.028 10 10 CBCE C[C@H](c1nn[nH]n1)N(C)C(=O)c1cc(O)nc(O)c1 707198302 POEOGHOUXDFQIU-RXMQYKEDSA-N 264.245 -0.161 10 10 CBCE NC(=O)CN(Cc1ccc(N)cc1)C[C@H]1COCCO1 708560228 XJLDWEBYGDDTAI-ZDUSSCGKSA-N 279.340 -0.029 10 10 CBCE NCC1CN(S(=O)(=O)Nc2ccc(O)cc2)C1 1998226763 BMWHYAUWPUVJAK-UHFFFAOYSA-N 257.315 -0.061 10 10 CBCE O=C(N[C@H]1COC[C@@H]1CO)c1cccc(O)c1O 2029857487 LVBWBXFUBJLKPV-CBAPKCEASA-N 253.254 -0.165 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]3C(N)=O)ccc21 2089366001 ONAMHEFNGDNNJU-QWRGUYRKSA-N 260.297 -0.037 10 10 CBCE CN(C)c1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)cc1 2108829946 GXJFRSNDDWKEFZ-XJFOESAGSA-N 266.341 -0.303 10 10 CBCE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(O)c(O)c1O 2118008768 GEJAQBYBOAXLCP-MBTKJCJQSA-N 285.321 -0.064 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H]2C[C@@H](O)C[C@@H]21 2185336440 FJBPVQQQSJRAJJ-LPEHRKFASA-N 280.280 -0.143 10 10 CBCE O=C(N[C@@H]1CCNC[C@@H]1CO)c1cc(O)c(O)c(O)c1 2188920636 XBDRSONARBUGRC-RKDXNWHRSA-N 282.296 -0.496 10 10 CBCE CNC(=O)[C@H]1CNCCN1C(=O)Cc1ccc(N)cc1 2191677081 AWDCOFDKDFQHBH-GFCCVEGCSA-N 276.340 -0.642 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](N)[C@H](CO)C2)cc1 2191719554 LSPRQVTXXQGCLY-GWCFXTLKSA-N 279.340 -0.184 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](O)C[C@H]2CO)cc1 2200833024 NYOBVKVIFWRPNW-RYUDHWBXSA-N 280.324 -0.008 10 10 CBCE OC[C@]1(O)CCN(c2ccc3c(c2)CC[C@@H]3O)C[C@@H]1O 2234093078 QNPOKINMUZBVGX-SOUVJXGZSA-N 279.336 -0.039 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2329330224 GHGXOTZFOOKJPU-JRPBRRGXSA-N 266.253 -0.941 10 10 CBCE CN(C(=O)Cn1ccn(C)c(=O)c1=O)c1ccc(N)cc1 61796602 HHCLDZXZXIETHK-UHFFFAOYSA-N 288.307 -0.208 10 10 CBCE CN(C)c1ccc(CNC(=O)Cn2cn[nH]c2=O)cc1 180503387 SADVFYDSSRIIAD-UHFFFAOYSA-N 275.312 -0.046 10 10 CBCE NC(=O)N1CC(NCc2ccc(O)c(O)c2O)C1 1917779760 XQSGQAOMABVOFX-UHFFFAOYSA-N 253.258 -0.344 10 10 CBCE CN(CC(CO)CO)C(=O)c1cc(O)nc(O)c1 2033018984 OGFWGIZPZGBVCU-UHFFFAOYSA-N 256.258 -0.834 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1COC[C@H]1CO 2046435657 JGKIGZOKYPBKSQ-GMSGAONNSA-N 251.286 -0.213 10 10 CBCE N[C@H]1C[C@H](O)CN(C(=O)c2ccc(O)c(O)c2)C1 2049113603 LFOYOTBOPHCFSQ-IUCAKERBSA-N 252.270 -0.368 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N3CC(=O)N[C@@H](C)C3)c2n1 2062203996 QVEXLTCCTRYFBH-QMMMGPOBSA-N 289.295 -0.296 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CNCCN1 2091749580 YZVRWTOIWKIPIY-SNVBAGLBSA-N 265.313 -0.682 10 10 CBCE N[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]2COC[C@@H]12 2102179421 BLKFFFPEPBQPSL-IVZWLZJFSA-N 264.281 -0.104 10 10 CBCE Cc1cc(CO)ccc1N1CCNC(=O)[C@H]1C(N)=O 2127701554 OQYRSIBHJQTBJS-LLVKDONJSA-N 263.297 -0.723 10 10 CBCE CN1C[C@@H]2C(=O)N(c3ccc(N)cc3)C(=O)N2CC1=O 2143798862 DQSGDDOXVGEKQT-SNVBAGLBSA-N 274.280 -0.122 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CO[C@@H]2CNC[C@H]12 2178140666 SSFJUUXUGYLKFD-GIPNMCIBSA-N 278.308 -0.257 10 10 CBCE NC(=O)COC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188920562 WKOKQCBJRWSEEK-UHFFFAOYSA-N 282.252 -0.870 10 10 CBCE C[C@@H](O)c1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2201000808 AFCLXLVJPRULII-FZVLQCKTSA-N 289.278 -0.079 10 10 CBCE C[C@@H](O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 51838376 NZVMXSVZYOGBKD-SCZZXKLOSA-N 268.313 -0.193 10 10 CBCE COc1ccc(O)c([C@H](N)C(=O)NCCCO)c1 83398456 JCCVOHHCACBWFA-NSHDSACASA-N 254.286 -0.101 10 10 CBCE COCCNC(=O)[C@H](C)NC(=O)c1ccc(O)c(O)c1 234630322 YTSSSFXPYWTYKU-QMMMGPOBSA-N 282.296 -0.021 10 10 CBCE O=S1(=O)CC[C@@H](N=N[C@@H]2CCS(=O)(=O)C2)C1 382674267 JJPYIPBRWJFRBQ-HTQZYQBOSA-N 266.344 -0.187 10 10 CBCE CN1CC[C@@](O)(CNC(=O)Cc2ccc(O)c(O)c2)C1 1638056894 ULUBVAOSQBKCHO-CQSZACIVSA-N 280.324 -0.177 10 10 CBCE NC(=O)[C@@H](O)CNC(=O)/C=C\c1ccc(O)c(O)c1 1639986982 OCLFLAYAUNJOHT-GQPNGRKGSA-N 266.253 -0.927 10 10 CBCE Cc1cccc(O)c1CN(CC(N)=O)CC(N)=O 2042601329 DSMKTDZGTMXNMT-UHFFFAOYSA-N 251.286 -0.527 10 10 CBCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1nn[nH]n1 2132349035 XJZJQNYIWMDIBS-BYPYZUCNSA-N 265.229 -0.193 10 10 CBCE CN1CCc2cc([C@@H](O)[C@@H](N)c3nnn(C)n3)ccc21 2147914143 KJEALILSLXOYBX-VXGBXAGGSA-N 274.328 -0.064 10 10 CBCE NCC1(C(=O)NCCc2ccc(O)c(O)c2)CC(O)C1 2188074169 HJQCGLGSGHVXTA-UHFFFAOYSA-N 280.324 -0.144 10 10 CBCE COc1ccc(N2CCS(=O)(=O)CC23CNC3)c(N)c1 2191788088 OVLDULFUTRTOTO-UHFFFAOYSA-N 297.380 -0.146 10 10 CBCE Cc1cn(CC(=O)N2CC(N=[N+]=[N-])C2)c(=O)nc1O 2269185386 HKBYUTAHLMEVMB-UHFFFAOYSA-N 264.245 -0.222 10 10 CBCE COC(=O)[C@@H](N)CS(=O)(=O)NCc1ccccc1O 2270539794 VNDLOKZCNWNEDF-VIFPVBQESA-N 288.325 -0.688 10 10 CBCE Cc1ccc(CN2C[C@@H](O)[C@@H](O)[C@H]2C(=O)O)c(O)c1 2333191121 YBHZOZOPBILKMQ-GRYCIOLGSA-N 267.281 -0.309 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCO 40459369 CPQXKOJPKJPPBG-VIFPVBQESA-N 254.286 -0.534 10 10 CBCE COC[C@@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 71265042 OXWLPBPIMNPWMH-NSHDSACASA-N 274.342 -0.305 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2COC[C@@H]2O)cc1 323542490 NGSPPDYMTIDJOT-RYUDHWBXSA-N 266.297 -0.086 10 10 CBCE C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 385003516 QIFIDHHBZOTFKG-IEBDPFPHSA-N 280.324 -0.051 10 10 CBCE O=C(NCc1nc(O)n[nH]1)c1c(F)ccc(O)c1O 1558945826 CFURPWNYFVZYTN-UHFFFAOYSA-N 268.204 -0.009 10 10 CBCE C[C@H](N)c1ccc(N2CC(O)(C(N)=O)C2)cc1O 1915248741 LPMRGRDWTMFFFG-ZETCQYMHSA-N 251.286 -0.552 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2C[C@H](O)CO2)cc1 2052299263 IPEOAHMEQYCPIP-QWRGUYRKSA-N 254.286 -0.383 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)[C@@H](F)C1 2056985647 MTONARUECCDJPR-YUMQZZPRSA-N 256.233 -0.105 10 10 CBCE Nc1ccc(CCN2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2081015153 AQUVAYXANPTDHQ-AGIUHOORSA-N 252.314 -0.790 10 10 CBCE CCOC(=O)[C@@H](N)C(=O)NCCc1ccc(O)c(O)c1 2148002890 FEVATYHQQALVDA-NSHDSACASA-N 282.296 -0.353 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O)c1ccc(O)cc1O 2177946357 YGYMDXJBSWRBNE-RPKBLARCSA-N 283.324 -0.149 10 10 CBCE N[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1CO 2178907553 QYSKQCVMCXUWNL-GHMZBOCLSA-N 280.324 -0.192 10 10 CBCE CN1CCN(C(=O)C2=C[C@H](O)[C@@H](N)C2)c2cnccc21 2188033403 UIJPFWKXNQSQTK-GWCFXTLKSA-N 274.324 -0.117 10 10 CBCE COc1cccc(O)c1CN1CC(=O)NC[C@H]1C(=O)O 2201038144 LMEBUVQCEHGPNU-VIFPVBQESA-N 280.280 -0.214 10 10 CBCE COc1ccc(N2CC3(CNC(=O)CO3)C2)c(N)c1 2273939620 JOQNLCOYDLPCIO-UHFFFAOYSA-N 263.297 -0.017 10 10 CBCE OC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCCO2 2333684993 UEIZXGXRJAIVSL-SGMGOOAPSA-N 265.309 -0.086 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@@H](CO)C1 167126137 JOTZSFVCOKMFSC-MNOVXSKESA-N 296.323 -0.813 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CNC(=O)C2)cc1 228871015 VRCGZYPAHCFYBO-JTQLQIEISA-N 299.352 -0.545 10 10 CBCE CCNC(=O)CS(=O)(=O)CC(=O)Nc1ccc(N)cc1 312203245 IETMONIRZGKMFP-UHFFFAOYSA-N 299.352 -0.242 10 10 CBCE C[C@](CO)(NC(=O)c1cccc(O)c1O)C(=O)O 313522876 QLKDEJVCIAZUEK-LLVKDONJSA-N 255.226 -0.337 10 10 CBCE CNC(=O)NCC(=O)NCc1ccc(O)cc1O 1469160869 VWRGGMSONRBEAM-UHFFFAOYSA-N 253.258 -0.357 10 10 CBCE Nc1ccc(CN2CC[C@@](O)(C(=O)O)[C@@H](O)C2)cc1 1891270279 RANHYLFMTJVMCZ-AAEUAGOBSA-N 266.297 -0.349 10 10 CBCE CC1(C(N)=O)CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 1914221595 SENCHEUQLMDGIH-SNVBAGLBSA-N 261.281 -0.016 10 10 CBCE CCS(=O)(=O)C[C@@](C)(NCCN=[N+]=[N-])C(N)=O 2003970079 HGEYKKDCRSZGPJ-MRVPVSSYSA-N 263.323 -0.435 10 10 CBCE CS(=O)(=O)CC[C@@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049783854 BRSCNEWGXJBQSP-IWSPIJDZSA-N 276.358 -0.986 10 10 CBCE Nc1ccc(CN2C[C@H](O)[C@H](O)[C@H]2C(=O)O)cc1 2080601374 NFMJRIIIMXQCOS-DCAQKATOSA-N 252.270 -0.741 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2NCCO[C@@H]2C1 2097692118 FVDXGPBZUVBGBO-JOYOIKCWSA-N 264.281 -0.089 10 10 CBCE NC[C@@]1(O)CCCN(C(=O)c2cc(O)nc(O)c2)C1 2101309709 FCURCPARUOQQSP-LBPRGKRZSA-N 267.285 -0.581 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)c2ccc(O)c(O)c2)C[C@@H]1O 2116188921 NFHPNEMNUPEWJI-NMLBEHRDSA-N 266.297 -0.074 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(F)(CO)C1 2172925977 GISJLZDKRNJDAI-VIFPVBQESA-N 284.287 -0.490 10 10 CBCE Nc1ccc(CCN2CCN(C[C@H](O)CO)CC2)cc1 2178038375 UWMGYGNBYKPRCK-HNNXBMFYSA-N 279.384 -0.218 10 10 CBCE C[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2193548624 HZQOKKOZKULBRU-APPZFPTMSA-N 283.280 -0.019 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OC)cc1N 2225692772 BJTMPNRMCAPJBZ-FRRDWIJNSA-N 268.313 -0.166 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(CO)c1 2235969130 AAZSXIMTIOJIND-KGLIPLIRSA-N 283.324 -0.518 10 10 CBCE CO[C@@H](CN)CNC(=O)Cc1ccc(O)c(O)c1 2317658131 JKZPHHMXEQHZPK-VIFPVBQESA-N 254.286 -0.270 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2329330222 GHGXOTZFOOKJPU-AGNRWKBWSA-N 266.253 -0.941 10 10 CBCE COc1ccc(O)c(CNC(=O)[C@H](N)CC(=O)O)c1 83496850 MHFFGXIDPXUAKV-SECBINFHSA-N 268.269 -0.181 10 10 CBCE O=C(N[C@H](Cc1c[nH]cn1)C(=O)O)c1cc(O)nc(O)c1 100615044 USQAFFJLPCQCPB-MRVPVSSYSA-N 292.251 -0.358 10 10 CBCE CC(=O)NCC(=O)N(CC(N)=O)Cc1ccc(N)cc1 380572364 IEBXBBBRGQGXFY-UHFFFAOYSA-N 278.312 -0.781 10 10 CBCE CC(CO)(CO)CNC(=O)c1cc(O)nc(O)c1 393883092 VZYNHKHSQGATJU-UHFFFAOYSA-N 256.258 -0.787 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H](CO)C1 699535089 DADFRUQRCZQGAW-SECBINFHSA-N 267.285 -0.759 10 10 CBCE CN1CCN(CC(=O)NCc2cc(O)ccc2O)CC1=O 1633599365 YMJYIUGCOFVYGZ-UHFFFAOYSA-N 293.323 -0.512 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCO[C@]12CCOC2 1912207174 VXQUTTGBZVBEDN-UWVGGRQHSA-N 255.278 -0.310 10 10 CBCE C[C@H]([C@@](C)(NCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2004028155 VGVYPOSPYYDLGF-HTRCEHHLSA-N 263.323 -0.437 10 10 CBCE Oc1cc(Cl)ccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046513978 KBCHFBSUTTUXGF-SASUGWTJSA-N 273.716 -0.010 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@H]1C(=O)O 2157503158 KDXOCIVOWIGMCJ-HRDYMLBCSA-N 280.280 -0.443 10 10 CBCE Cc1ccc(O)c(CN2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)c1 2166790551 ICJRVCASLBZIJB-GHMZBOCLSA-N 275.308 -0.501 10 10 CBCE N[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1CO 2178904922 AMFHFMSBXSRQJM-WDEREUQCSA-N 280.324 -0.192 10 10 CBCE CC[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2184140182 YNOITDPOBZFIDN-NEPJUHHUSA-N 277.324 -0.080 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OC)cc1CN 2235963751 PBADJGXQLZIVAY-MCIONIFRSA-N 282.340 -0.289 10 10 CBCE COc1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(CO)c1 2236000745 BGJVALNGWYMYDU-UHFFFAOYSA-N 298.364 -0.073 10 10 CBCE Nc1ccc(CC(=O)NCC(F)(F)C2(O)CNC2)cc1 2288520726 POKLUKVMCJGKHJ-UHFFFAOYSA-N 285.294 -0.103 10 10 CBCE COc1ccc(N2CC(=O)N[C@@H](CN)C2)cc1OC 217136175 HHKQDJWZUSAJKV-VIFPVBQESA-N 265.313 -0.033 10 10 CBCE Cn1nnnc1CNCc1cc2c(cc1O)OCO2 389391050 TZTYIHCNWGYISA-UHFFFAOYSA-N 263.257 -0.066 10 10 CBCE NC(=O)[C@H]1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)O1 1294932523 LYBHKFNLRYRRBD-JOYOIKCWSA-N 294.307 -0.211 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC[C@H](N)C(=O)O)cc1 1876465405 IQLUKUUKHNNZCD-JTQLQIEISA-N 287.341 -0.510 10 10 CBCE N=c1nnc(OCC[C@@H](N)COCc2ccccc2)n[nH]1 1892263323 WIXGVAJZASQDLU-LLVKDONJSA-N 290.327 -0.008 10 10 CBCE Nc1ccc(CCNS(=O)(=O)N2CC(O)C2)cc1 1914139300 XGFPVSNLYKQWSU-UHFFFAOYSA-N 271.342 -0.678 10 10 CBCE Oc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1O 2046514116 KWONPLFKSOADST-NYBSVBNRSA-N 255.270 -0.958 10 10 CBCE OC[C@@H](O)C1(NCc2ccc(O)c(O)c2O)CC1 2069741657 BFBSNSWFRRDQGX-SECBINFHSA-N 255.270 -0.221 10 10 CBCE N[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2092391405 SWNRZFNQAWITJA-NXEZZACHSA-N 266.297 -0.127 10 10 CBCE O=S1(=O)C[C@H]2C(NCc3ccc(O)c(O)c3O)[C@@H]2C1 2118008767 GEJAQBYBOAXLCP-HTQZYQBOSA-N 285.321 -0.064 10 10 CBCE Nc1ccc(OCCN2CC3(CNS(=O)(=O)C3)C2)cc1 2176157445 XKLVNZOAVWOXSB-UHFFFAOYSA-N 297.380 -0.117 10 10 CBCE Cn1[nH]c(CCN)nc1=NC(=O)c1cccc(O)c1O 2183130865 YTYSLMJFVFDNAR-UHFFFAOYSA-N 277.284 -0.598 10 10 CBCE NCc1cc(F)c(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1 2183626078 FJXFIHYIAJGFPP-JQWIXIFHSA-N 286.278 -0.266 10 10 CBCE Nc1ccc(OCC(=O)N2CCN[C@H]3COC[C@H]32)cc1 2191897925 GMJGTZYDYLOSQK-QWHCGFSZSA-N 277.324 -0.153 10 10 CBCE O=C(N[C@@H]1CCOC[C@H]1CO)c1cc(O)c(O)c(O)c1 2193219452 RWRLPVVYVGMNCC-RKDXNWHRSA-N 283.280 -0.069 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CF)ccc2[C@H]1O 2205611972 MVFVNZJTUVDKLI-NNYUYHANSA-N 282.271 -0.448 10 10 CBCE Oc1ccc([C@H](O)CN2CCNCC2)c(O)c1O 71452025 VIEINYJLVXQWTR-SNVBAGLBSA-N 254.286 -0.258 10 10 CBCE CN(C[C@H](N)CO)c1ccc2c(c1)NC(=O)CO2 259145827 UWDSCGCUZVGKBD-QMMMGPOBSA-N 251.286 -0.227 10 10 CBCE NCc1ccc(N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 693390704 LTQCNRPHRAFZJT-QWRGUYRKSA-N 262.313 -0.832 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCc1nc(=O)o[nH]1 1446596376 CXWVRAFPYMOXTA-UHFFFAOYSA-N 265.225 -0.367 10 10 CBCE CN(C)c1ccc(CNC(=O)Cn2nnc(N)n2)cc1F 1544308072 GQGBNPXJGFBUTQ-UHFFFAOYSA-N 293.306 -0.223 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c(O)c1 2046513938 JSISNXDOHCXIBW-KLHWPWHYSA-N 255.270 -0.958 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@]1(O)CCNC1 2126918124 POJLDXIPYYKXRE-ZDUSSCGKSA-N 266.297 -0.519 10 10 CBCE C[C@]1(CNC(=O)c2cc(O)nc(O)c2)CCNC1=O 2136073214 NLSZXEWWCZIRST-GFCCVEGCSA-N 265.269 -0.251 10 10 CBCE O=C(N[C@H]1COCC[C@@H]1C(=O)O)c1cc(O)nc(O)c1 2159038530 XFHWMUUWLMUTBN-YUMQZZPRSA-N 282.252 -0.288 10 10 CBCE NCc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)c(Cl)c1 2166792007 ZLSRFXCUPKMBQX-UWVGGRQHSA-N 294.742 -0.398 10 10 CBCE C[C@H]1CNC(=O)CN1c1cc2c(cc1N)OCC(=O)N2 2181166915 DXJKJSHRGDYKOM-ZETCQYMHSA-N 276.296 -0.076 10 10 CBCE COc1ccc(N2CC([C@H]3NC(=O)NC3=O)C2)c(N)c1 2184961651 YGWXMPKKMLWNNW-LLVKDONJSA-N 276.296 -0.078 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)C[C@H]1O 2188908555 DDKHTJKFDKMIPH-FTLITQJKSA-N 282.296 -0.369 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(=O)O)C1 2225792090 JYCKIDDXMLCACY-RQJHMYQMSA-N 288.285 -0.747 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCN=[N+]=[N-] 2236149048 YBHZSKLQIBADCJ-VIFPVBQESA-N 284.320 -0.037 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@H]2[C@@H](O)CO)cc1 2270714950 NBMTYHMYQWIBFQ-RYUDHWBXSA-N 265.313 -0.365 10 10 CBCE O=C1Nc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc2[C@H]1O 2354474672 QCGDYPAUJMUPSJ-BBLBQAADSA-N 276.292 -0.398 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2357590287 AHUOOKKBSWYJTF-NRUUMAPZSA-N 280.280 -0.551 10 10 CBCE COCCONC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 156136514 MQZGMBTXALLSEL-VIFPVBQESA-N 270.285 -0.338 10 10 CBCE NC[C@@H]1CNCCN1C(=O)c1ccc(O)c(O)c1 236166103 ZTTFXVPUVWNZGI-SECBINFHSA-N 251.286 -0.530 10 10 CBCE NC(=O)N1CC[C@@H](NC(=O)COc2ccc(N)cc2)C1 393209985 KZYXEYDDGPXPHP-SNVBAGLBSA-N 278.312 -0.083 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@]1(CO)CCOC1 1296189514 GVOGXXZNTKTTND-CYBMUJFWSA-N 267.281 -0.092 10 10 CBCE NCC1(CNC(=O)COc2ccc(N)cc2)COC1 1876487532 UXQSGJWBAWGMOX-UHFFFAOYSA-N 265.313 -0.261 10 10 CBCE CNC1(C(N)=O)CN(Cc2ccc(O)cc2O)C1 2047099817 ZNPMAHOMLWOADB-UHFFFAOYSA-N 251.286 -0.643 10 10 CBCE CN1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)[C@H](O)C1 2090341168 WZCAHVIERWRAFY-NWDGAFQWSA-N 285.369 -0.637 10 10 CBCE C[C@H](N)c1nc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 2130117524 PNXATKLPOHSACF-BYPYZUCNSA-N 264.245 -0.117 10 10 CBCE COC(=O)C1CN(S(=O)(=O)NCc2ccc(N)cc2)C1 2164307666 AEGRYXTXHGBGFU-UHFFFAOYSA-N 299.352 -0.292 10 10 CBCE CO[C@@H](C(=O)O)C1CN(C(=O)c2cc(O)nc(O)c2)C1 2172351868 HIZNXOUFKTWYDP-SNVBAGLBSA-N 282.252 -0.336 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188868178 NEYAQNBARVCLCE-RXMQYKEDSA-N 280.236 -0.710 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H]2NC[C@@H](O)[C@@H]2O)cc1 2201140362 HDUGLRHYIRCVBZ-UPJWGTAASA-N 279.340 -0.938 10 10 CBCE CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC(N=[N+]=[N-])C1 2227845174 VMKACNILJILFAN-QMMMGPOBSA-N 268.277 -0.722 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)ccc1[C@H](C)N 2269661265 DSYTVCNMNLXCNF-HBEIAFGSSA-N 266.341 -0.083 10 10 CBCE CN1CC(=O)N(CC(=O)N(C)c2ccc(N)cc2)CC1=O 94469008 MLBLVPLAHTVVLW-UHFFFAOYSA-N 290.323 -0.468 10 10 CBCE O=C(NC[C@H]1COCCN1)c1ccc(O)c(O)c1 236564525 OKPVRNALXQYAKU-VIFPVBQESA-N 252.270 -0.184 10 10 CBCE CO[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)C[C@H]1O 396047488 KRKPTETWAPOWGV-UPJWGTAASA-N 277.324 -0.141 10 10 CBCE NC[C@]1(CO)COCCN1Cc1ccccc1O 693923634 GFLUVCONPFXZGA-ZDUSSCGKSA-N 252.314 -0.086 10 10 CBCE COC(=O)[C@H](CO)NC(=O)Cc1ccc(N)cc1 707247935 CWISVWBPYFAVBW-JTQLQIEISA-N 252.270 -0.539 10 10 CBCE NC(=O)N1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1443494397 XWBKMBXCTCTIKA-VIFPVBQESA-N 279.296 -0.091 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)C1(O)COC1 1622753298 PYNYEGLPUAYFPK-UHFFFAOYSA-N 253.254 -0.482 10 10 CBCE C[C@@H](O)[C@H](CO)NC(=O)COc1ccc(N)cc1 2053797576 KQNBCRRNVCJHKE-KCJUWKMLSA-N 254.286 -0.495 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)ccc1CN 2273781676 JSGMXTFOHQWNSO-XBFCOCLRSA-N 266.341 -0.396 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@H]3O)C[C@@H](O)[C@@H]1O 2289358944 YBFXAEXHTRJWRB-CJYSPXJISA-N 279.336 -0.184 10 10 CBCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2332923067 LQGXDMUJSIPDGU-MJBXVCDLSA-N 266.341 -0.301 10 10 CBCE CCOC(=O)CS(=O)(=O)NCc1cc(N)ccc1O 49061630 NFJYVPHJRXXQCJ-UHFFFAOYSA-N 288.325 -0.043 10 10 CBCE CNC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)O 108262683 BUWWLKJVNPWPGG-QPUJVOFHSA-N 265.313 -0.577 10 10 CBCE Nc1ccc(-n2ccc(C(=O)OC[C@H](O)CO)n2)cc1 130731596 URNSGDPNDMZZRS-LLVKDONJSA-N 277.280 -0.036 10 10 CBCE NC(=O)[C@]1(O)CCCN(Cc2cc(N)ccc2O)C1 311983243 OSVIGMUQSSJMOA-ZDUSSCGKSA-N 265.313 -0.213 10 10 CBCE COCCN1CC[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 328470910 LEOGEQVSQKLNGX-JTQLQIEISA-N 256.310 -0.538 10 10 CBCE CS(=O)(=O)NCC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403718472 RVMRCKJRUPTXNM-SSDOTTSWSA-N 261.307 -0.163 10 10 CBCE [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@H]1F 616585213 ISWXDJFQYOARQG-YYWONIAYSA-N 287.207 -0.824 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)[C@@H]1COC[C@H]1O 708050796 LYGSUVKDIQUBIS-NOZJJQNGSA-N 267.281 -0.028 10 10 CBCE NC(=O)CSCC(=O)NCc1ccc(O)cc1O 1299573489 KMOMWCUARQCBHM-UHFFFAOYSA-N 270.310 -0.068 10 10 CBCE Nc1ccc(OCC(=O)N[C@H](CO)C(=O)O)cc1 1860080678 MMIUNIAFRMRZGY-SECBINFHSA-N 254.242 -0.791 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 1912198062 BSYVDIVUIOXQNL-JTQLQIEISA-N 289.361 -0.078 10 10 CBCE CO[C@@H]1CNCC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049787035 SKMJXGUERGYJOI-QFOLPQNPSA-N 254.330 -0.124 10 10 CBCE CN(Cc1nc(=N)[nH]c(=N)[nH]1)c1ccc(CN)cc1 2104971408 AWLUQZLQEPKQBU-UHFFFAOYSA-N 259.317 -0.208 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(CC(=O)c3ccc(O)c(O)c3)C[C@H]21 2201291878 CAHSDZBNJLFFJY-WOFXILAISA-N 276.292 -0.056 10 10 CBCE COc1cc(N2CCOC[C@@H]2[C@H](O)CO)ccc1CN 2204540172 UZRMAZAGSJWYAH-CHWSQXEVSA-N 282.340 -0.288 10 10 CBCE O=c1nc(CCNCc2ccc(O)c(O)c2O)[nH]o1 392289293 PYJBVBLLUDZYAP-UHFFFAOYSA-N 267.241 -0.188 10 10 CBCE NC(=O)[C@@H]1CN(Cc2ccccc2O)C[C@H]1C(N)=O 693455501 TZHWLAPMHUHVES-NXEZZACHSA-N 263.297 -0.589 10 10 CBCE C[C@]1(CO)C[C@H](O)CN1C(=O)c1cc(O)nc(O)c1 698126245 DYQJIZVXFBHWPC-QPUJVOFHSA-N 268.269 -0.549 10 10 CBCE Cn1nnnc1CCNC(=O)/C=C\c1ccc(O)c(O)c1 779548641 WNHPULJUTNMIDV-HYXAFXHYSA-N 289.295 -0.007 10 10 CBCE Nc1ncn(CC(=O)NCCc2ccc(O)c(O)c2)n1 1445940775 WTIVXGKPEGLGAE-UHFFFAOYSA-N 277.284 -0.370 10 10 CBCE CC(C)(O)[C@H](O)C(=O)NCc1cc(O)ccc1O 1643881842 HUPIPNMBLUHLQG-SNVBAGLBSA-N 255.270 -0.154 10 10 CBCE C[C@@H](O)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876112 RXHHQWUJPPJRFN-VHWMUFPASA-N 271.225 -0.633 10 10 CBCE COC[C@](O)(CO)CNCc1cc(F)ccc1O 1966068351 URDXPAFOGWVXER-GFCCVEGCSA-N 259.277 -0.009 10 10 CBCE Nc1ccc(CC(=O)NC[C@H]2COC[C@@H]2O)cc1 2036563509 DGGGEFKWJBAZLL-JQWIXIFHSA-N 250.298 -0.065 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)C[C@@H](O)C1 2043180861 AKPOZZFRLOJFKL-HTQZYQBOSA-N 253.254 -0.335 10 10 CBCE C[C@H](N[C@@H]1C[C@H](O)[C@H](O)[C@H]1O)c1ccccc1O 2046515681 YSXXTPXFXSFRRP-WCBNUEKESA-N 253.298 -0.102 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1COCC[C@H]1N 2071696587 ZVIVVGQLOJODOB-PSASIEDQSA-N 250.302 -0.104 10 10 CBCE O=C(NC[C@@H]1CCNC1=O)c1cc(O)nc(O)c1 2080488091 QZJGWWHPQXCVHA-LURJTMIESA-N 251.242 -0.641 10 10 CBCE NC(=O)[C@@H]1CCN1C[C@H](O)COc1ccc(N)cc1 2089358628 IINXZVIHDFXOLD-JQWIXIFHSA-N 265.313 -0.432 10 10 CBCE CN(CCn1ccc2c(c1=O)CNCC2)S(C)(=O)=O 2094405705 WXTFPWNFCRETJQ-UHFFFAOYSA-N 285.369 -0.615 10 10 CBCE O=C(CN1C[C@@H](O)C[C@H](O)C1)c1ccc(O)c(O)c1 2105081998 BXWLEQDKNNFQGS-UWVGGRQHSA-N 267.281 -0.292 10 10 CBCE Nc1ccc(CS(=O)(=O)NCc2nnc(O)o2)cc1 2136520508 ABDLBWRNSSYZEK-UHFFFAOYSA-N 284.297 -0.023 10 10 CBCE CO[C@@H]1CNC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2148018289 CDQBJHKCTSCUTJ-ZWNOBZJWSA-N 280.324 -0.009 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)C[C@H](O)C3)cc21 2161355088 RDJBNPQUEUPMEA-OUJBWJOFSA-N 277.324 -0.405 10 10 CBCE CCN[C@H]1C(=O)Nc2cc(N3CC(O)(CO)C3)ccc21 2171956345 GZFHUAUTQPAPAD-GFCCVEGCSA-N 277.324 -0.167 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@@H](O)[C@H](O)C2)cc1 2188630291 BPGTYCLTBPOMJN-MRVWCRGKSA-N 282.340 -0.564 10 10 CBCE Nc1ccc(CCC(=O)N2CCS(=O)(=O)CCN2)cc1 2191716254 ITTLPYQVVQTXPW-UHFFFAOYSA-N 297.380 -0.037 10 10 CBCE NC(=O)[C@H]1[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 2201277538 GOHNEZDXFYQTSI-LYIWLLOFSA-N 278.264 -0.393 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@H]2[C@H](O)CO)cc1 2286214069 OQJMHHBJHHONQB-QWHCGFSZSA-N 280.324 -0.008 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@@H](n2ccc(N)nc2=O)O[C@H]1CO 5663885 YIEFKLOVIROQIL-CHKWXVPMSA-N 252.234 -0.216 10 10 CBCE CS(=O)(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40225797 NBVQELNLXNLGRO-ZETCQYMHSA-N 275.282 -0.357 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@H]3CO)ccc21 168234760 RNDBXPBRRIKRMF-BXKDBHETSA-N 263.297 -0.164 10 10 CBCE Cn1nnnc1CNCc1ccc(O)c(O)c1O 389335853 VYBBYWKDFISJPF-UHFFFAOYSA-N 251.246 -0.383 10 10 CBCE NC(=O)CO[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 1971440423 DBGBEEHPJYFQHM-GFCCVEGCSA-N 277.324 -0.086 10 10 CBCE COc1cccc(CN[C@@H]2CC(=O)NC2=O)c1O 2034958200 QJOPNGHFFAWJJU-MRVPVSSYSA-N 250.254 -0.095 10 10 CBCE COc1cccc(O)c1CNCC(O)(CO)CO 2042571712 SQTDUCPQXMWJFE-UHFFFAOYSA-N 257.286 -0.794 10 10 CBCE Cc1ccc(O)c(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1 2046514325 MLCCTTUYGVNDKN-MGAJPHDKSA-N 253.298 -0.355 10 10 CBCE NCCC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2103266157 RWNAUOFUHIEDIQ-ZETCQYMHSA-N 269.257 -0.585 10 10 CBCE NC1CN([C@H]2CCN(C(=O)c3ccc(O)c(O)c3)C2)C1 2158747380 XKRPUWDITGYYMX-NSHDSACASA-N 277.324 -0.045 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1Cl 2184134223 BHAOTXINGDLFHO-NSHDSACASA-N 296.758 -0.151 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 2201277539 GOHNEZDXFYQTSI-MTBHXBHISA-N 278.264 -0.393 10 10 CBCE Cc1cc([C@@H](C)N)ccc1N1C[C@H](O)[C@H](O)[C@H]1CO 2232102844 QSTXXHLHNVGECQ-WBMYTEFPSA-N 266.341 -0.083 10 10 CBCE COC(=O)[C@H](N)[C@H](OC)c1ccc(O)c(O)c1O 1952364059 AVVJVBHMZLOWOX-GMSGAONNSA-N 257.242 -0.009 10 10 CBCE Nc1ccc(OCCC(=O)NC[C@@H](N)CO)cc1 2071676978 OCJGCTIDCGWITO-SNVBAGLBSA-N 253.302 -0.527 10 10 CBCE NC(=O)[C@H]1C[C@@H](N)CN(C(=O)c2ccc(O)c(O)c2)C1 2151041084 JHHGAQSPXLNQBT-DTWKUNHWSA-N 279.296 -0.628 10 10 CBCE O=C1C[C@H](NC(=O)[C@@H]2CNc3ccccc3N2)C(=O)N1 2152387982 JMSNEBIPFMARFX-UWVGGRQHSA-N 274.280 -0.576 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2CCNC[C@@H]2O)cc1 2191654935 WOUGUBAMODYLKO-OLZOCXBDSA-N 279.340 -0.123 10 10 CBCE O=C(NC1(C(=O)O)CC(CO)C1)c1cc(O)nc(O)c1 2193922678 DAQFIWVUNSBJGO-UHFFFAOYSA-N 282.252 -0.552 10 10 CBCE Nc1ccc(OCCS(=O)(=O)Nc2nc(O)n[nH]2)cc1 2199524106 CWSROOSZTXORHB-UHFFFAOYSA-N 299.312 -0.087 10 10 CBCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1NC[C@H](O)[C@H]1O 2201149998 QPPACLSGPNKXFU-GHORINQJSA-N 280.324 -0.395 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1Cl 2273650546 JQRBDQRYCHTPTB-ICCXJUOJSA-N 286.759 -0.051 10 10 CBCE Cc1cc(CN)ccc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2273651384 NXPDWOHKHYYHMJ-KWCYVHTRSA-N 266.341 -0.396 10 10 CBCE CCOc1cccc(CNC[C@@H](O)C(N)=O)c1O 228613154 JNEMZWGPKFOPQN-SECBINFHSA-N 254.286 -0.273 10 10 CBCE O=C(NCCn1ncnn1)[C@H]1CNc2ccccc2N1 379434982 GUJYLEWMVAJJDS-LLVKDONJSA-N 273.300 -0.305 10 10 CBCE NC(=O)[C@H]1CN(Cc2ccc(N)cc2)C[C@@H]1C(N)=O 693428008 FIFBHLOPXOHSBZ-QWRGUYRKSA-N 262.313 -0.713 10 10 CBCE NC[C@@]1(CO)COCCN1C(=O)c1cccc(O)c1O 694633702 BHODWNDEBBHZTO-CYBMUJFWSA-N 282.296 -0.740 10 10 CBCE O=C(c1cccc(O)c1O)N1CCO[C@@H](c2nn[nH]n2)C1 1628288266 FLBUAALLFPVRBV-SECBINFHSA-N 291.267 -0.175 10 10 CBCE [N-]=[N+]=N[C@@H]1CCCN([C@@H]2CS(=O)(=O)C[C@@H]2O)C1 1912201623 WUZWMONVTZGKAR-HLTSFMKQSA-N 260.319 -0.081 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@@H]1CCNC1=O 1916802609 OTRWSPGQSWZEMK-GHMZBOCLSA-N 260.297 -0.037 10 10 CBCE CCN[C@@H]1COC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049785199 XENNVOOELYIWPN-XWLWVQCSSA-N 254.330 -0.124 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2c(O)cccc2F)C1 2057714419 QEXUKQGGJQCWFC-ONGXEEELSA-N 275.301 -0.221 10 10 CBCE CO[C@H](C)[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2087687974 CIOZNCAOYAWXMY-MLUIRONXSA-N 270.241 -0.289 10 10 CBCE Nc1ccc(NC(=O)CN2CC(OCCO)C2)cc1 2095969812 NUHCPGNDVJXPFG-UHFFFAOYSA-N 265.313 -0.100 10 10 CBCE COc1ccc(N2CCNC[C@@H]2C(N)=O)cc1OC 2106325312 HNJVBNVSYHYCNB-SNVBAGLBSA-N 265.313 -0.033 10 10 CBCE NC(=O)NC1CN(C[C@@H](O)COc2ccc(N)cc2)C1 2163217983 WBRWIENJSGYKKO-LLVKDONJSA-N 280.328 -0.639 10 10 CBCE O=C(NCC1(O)CC(C(=O)O)C1)c1cc(O)nc(O)c1 2166500398 STMIWFOQZSNOOK-UHFFFAOYSA-N 282.252 -0.552 10 10 CBCE O=C(O)[C@H](F)C1(O)CN(C(=O)c2ccc(O)c(O)c2)C1 2172299993 GGBKOJCQSNSVET-VIFPVBQESA-N 285.227 -0.293 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(CC(=O)Nc3ccc(N)cc3)C[C@H]21 2201308687 NCEAKSQHBVYKJT-PJXYFTJBSA-N 274.324 -0.130 10 10 CBCE Cc1cc(CN)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2311715519 XVAORMANIRKAFL-XQQFMLRXSA-N 252.314 -0.644 10 10 CBCE CC(=O)NCC/N=[N+](\[O-])C1([N+](=O)[O-])COC(C)(C)OC1 22636844 BBXYKVAFEKRNEO-SEYXRHQNSA-N 290.276 -0.159 10 10 CBCE COC(=O)CNC(=O)[C@@H](N)c1cc(O)ccc1O 83397880 DZTOZYLVOZGMJP-JTQLQIEISA-N 254.242 -0.613 10 10 CBCE N[C@H](C(=O)NCCO)c1cc([N+](=O)[O-])ccc1O 83408395 USOAIRGBYSKGII-VIFPVBQESA-N 255.230 -0.591 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H](CO)O1 229992218 BOGPKSTZJFVVRC-CBAPKCEASA-N 268.269 -0.285 10 10 CBCE CO[C@@H]1CN(c2ccc3c(c2)N(C)C(=O)[C@@H]3N)C[C@H]1O 396047483 KRKPTETWAPOWGV-JHJVBQTASA-N 277.324 -0.141 10 10 CBCE O=C(NC[C@H]1CCO[C@H]1C(=O)O)c1cc(O)nc(O)c1 715130411 WOUHTATUZAODME-LHLIQPBNSA-N 282.252 -0.288 10 10 CBCE CN1C(=O)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1=O 1568122116 AJQFPUAXTGRGCK-SGRBOOSSSA-N 290.275 -0.016 10 10 CBCE NC(=O)[C@H](O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1634600980 GKQUZQNILGPGLL-MRVPVSSYSA-N 296.304 -0.112 10 10 CBCE COC(=O)C1(NC(=O)Cc2ccc(N)cc2)CNC1 1876444573 RJAHQOYPSIWHPX-UHFFFAOYSA-N 263.297 -0.558 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912200920 NJHYQWJRLYHATK-MRVPVSSYSA-N 296.374 -0.007 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2CCNC[C@@H]2CO)cc1 1971920675 OOBXXNBUIGQOQM-YPMHNXCESA-N 263.341 -0.102 10 10 CBCE Nc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@H]32)cc1 2071647717 FTDMHHRWZJOBKE-VXGBXAGGSA-N 267.354 -0.156 10 10 CBCE CN(Cc1nnn(C)n1)c1ccc2c(c1)NC(=O)[C@H]2O 2197848276 WJKFZRDJQSONAY-NSHDSACASA-N 274.284 -0.168 10 10 CBCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)CNC1=O 2225796303 VYMYAWSSFKPCBV-RNFRBKRXSA-N 266.261 -0.114 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@@H]2[C@H](O)CO)cc1 2286209685 OMAFYWGAYVBGMA-MRVWCRGKSA-N 282.340 -0.564 10 10 CBCE Oc1ccc(CN[C@H]2C[C@@H](O)[C@H](O)[C@@H]2O)c(O)c1 2309041541 JSISNXDOHCXIBW-GMNPVEAJSA-N 255.270 -0.958 10 10 CBCE COc1ccc([C@@H](N)C(=O)NCCCO)c(O)c1 83398374 KMJXZIBVRDVRNQ-LLVKDONJSA-N 254.286 -0.101 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@H](O)[C@@H](CO)C3)cc21 316968309 IDPXYWVFVFZLPK-OXHMUOHRSA-N 277.324 -0.548 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@](O)(C(=O)O)C1 386711277 XBWLBPUSTTWUTJ-LLVKDONJSA-N 268.225 -0.846 10 10 CBCE CS(=O)(=O)NC1CN(c2ccc(CN)cc2)C1 703014684 JAKGLDUQLCHLMK-UHFFFAOYSA-N 255.343 -0.117 10 10 CBCE CC(=O)C(=O)CSc1nnnn1CCN(C)C 808023348 HWVHYAVGKHMCDW-UHFFFAOYSA-N 257.319 -0.515 10 10 CBCE C[C@@H]1CNC(=O)C[C@](NCCN=[N+]=[N-])(C(N)=O)C1 2042117674 IAPRJOQCBATERV-XVKPBYJWSA-N 254.294 -0.344 10 10 CBCE NC(=O)COC1CN(CCOc2ccc(N)cc2)C1 2089134806 FOHUVUGAGYYRCC-UHFFFAOYSA-N 265.313 -0.166 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccc(F)cc1O 2139762011 MTNHUKPIIXWMTP-DCAQKATOSA-N 271.244 -0.478 10 10 CBCE CN1CCc2cc([C@@H](N)[C@H](O)c3nnn(C)n3)ccc21 2163139490 AZXXPHAGQIIBDN-NEPJUHHUSA-N 274.328 -0.064 10 10 CBCE O=C1N[C@H]2CN(Cc3cc(F)ccc3O)C[C@@H]2NC1=O 2166790496 HLORJAZCNMYAHZ-UWVGGRQHSA-N 279.271 -0.670 10 10 CBCE N[C@@H]1CCCc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CO)ccc21 2201037660 PKRNUKHREHBIMY-CBBWQLFWSA-N 278.352 -0.075 10 10 CBCE Nc1ccc(OCCN2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2289415489 XBUCUWGMLNOHII-DDTOSNHZSA-N 282.340 -0.707 10 10 CBCE CC(CO)(CO)NC=C1C(=O)NC(=O)N(C(C)(C)C)C1=O 2297056809 ZCSZPFPMZCDSJX-UHFFFAOYSA-N 299.327 -0.920 10 10 CBCE C[C@@H](NC(=O)COc1ccc(N)cc1)[C@H](O)CO 698970662 MYDYXBQABYZULM-LDYMZIIASA-N 254.286 -0.495 10 10 CBCE NC(=O)N[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1153226211 YNPZSWHBAZWODM-VIFPVBQESA-N 279.296 -0.091 10 10 CBCE O=C(O)CN(CC(=O)O)C(=O)c1cc(O)c(O)c(O)c1 1866303408 UVGZUCGUWUUGCQ-UHFFFAOYSA-N 285.208 -0.585 10 10 CBCE NC[C@H]1C[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 1876416772 BCTKOABQYFYKNC-BXKDBHETSA-N 285.369 -0.086 10 10 CBCE NC[C@@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 2016965815 FFAGSBKYELLJAY-SNVBAGLBSA-N 259.331 -0.992 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2COC[C@H]2CO)cc1 2029844313 MBZJLBORBCDXMJ-ZYHUDNBSSA-N 250.298 -0.065 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](CO)C[C@@H]1CO 2089869947 JKLPXLSTKPIYGB-RKDXNWHRSA-N 267.281 -0.087 10 10 CBCE N[C@@]1(C(=O)O)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 2144019145 LWJZDQWXCXQAFJ-ZDUSSCGKSA-N 280.280 -0.345 10 10 CBCE Nc1cc2c(cc1N1CCOC[C@@H](N)C1)NC(=O)CO2 2191564396 OIRWZAMVTGNLCV-QMMMGPOBSA-N 278.312 -0.236 10 10 CBCE Nc1ccc(OCC(=O)N2CC(CS(N)(=O)=O)C2)cc1 2194419457 GALSAOGRKGBVDQ-UHFFFAOYSA-N 299.352 -0.606 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2219635813 RNIVUJYVOXUJDY-CHWSQXEVSA-N 253.298 -0.010 10 10 CBCE Cn1ncc(S(=O)(=O)Nc2ccc(O)c(N)c2)n1 2220568977 QXBYNWFYLQSAML-UHFFFAOYSA-N 269.286 -0.096 10 10 CBCE Nc1ccc(OCCN2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2289415490 XBUCUWGMLNOHII-LEWSCRJBSA-N 282.340 -0.707 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCn2cncn2)cc1 381751330 DUOUWMDAQFBCSG-UHFFFAOYSA-N 281.341 -0.020 10 10 CBCE NC(=O)CC[S@](=O)C[C@H](O)COc1ccc(N)cc1 722444221 KLKUBYDFMWHFNN-DGIBIBHMSA-N 286.353 -0.367 10 10 CBCE Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)c(O)c1 895676203 LRIVQGWHQUSVNC-ZYHUDNBSSA-N 271.338 -0.052 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCOC[C@@H]2N)cc1 1876470664 DZFQUUYMEJRWFC-RYUDHWBXSA-N 285.369 -0.196 10 10 CBCE O=C(NC[C@@]1(O)CCCNC1)c1cccc(O)c1O 2101322861 WQJBSBYADMLTSG-CYBMUJFWSA-N 266.297 -0.058 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CC[C@@H]1O 2105100817 GGNYZFNZLPJPAF-GUBZILKMSA-N 266.297 -0.393 10 10 CBCE C[C@@H]1CNC(=O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 2124755229 BGSLFWSZQVVHQW-KRTXAFLBSA-N 260.297 -0.037 10 10 CBCE COC[C@H](CCO)NC(=O)c1cc(O)c(O)c(O)c1 2132347953 ANVSFNGNFYPKNX-QMMMGPOBSA-N 271.269 -0.069 10 10 CBCE O=C1CN([C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C(=O)N1 2157438824 PIKWMYNQOKVKID-ZETCQYMHSA-N 280.236 -0.355 10 10 CBCE Nc1ccc(CCNS(=O)(=O)N2CC(C(=O)O)C2)cc1 2164305438 ALWBDJAESMGRHU-UHFFFAOYSA-N 299.352 -0.338 10 10 CBCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332924985 YOEUVVBIOLFSTA-UMNHJUIQSA-N 274.267 -0.674 10 10 CBCE NC(=O)CC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 40479029 BWIOFEQNQSEERC-JTQLQIEISA-N 279.296 -0.354 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCn1cccn1 49078570 RNUIOFPDXZYMBO-NSHDSACASA-N 290.323 -0.020 10 10 CBCE N=C(N)NS(=O)(=O)CCOc1ccc(N)cc1 158788697 KAEQVFRIQCCJSC-UHFFFAOYSA-N 258.303 -0.540 10 10 CBCE CC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)O 206334208 WYVJNVJULGKIMH-PELKAZGASA-N 293.323 -0.095 10 10 CBCE NC(=O)[C@]1(O)CCCN(CCOc2ccc(N)cc2)C1 380472338 JDEUIXJERMHNBD-AWEZNQCLSA-N 279.340 -0.040 10 10 CBCE Nc1ccc(OCC(=O)N[C@]2(CO)CCOC2)cc1 393893506 BWPDPFUVPCASGG-ZDUSSCGKSA-N 266.297 -0.085 10 10 CBCE C[C@H](O)[C@H](O)CNCc1cc2c(cc1O)OCO2 717287486 IRTLZRGGEOAQMS-OIBJUYFYSA-N 255.270 -0.048 10 10 CBCE COc1cccc(CNC(=O)Cn2nnc(N)n2)c1O 1465993964 ZUKSPCQWZZLPBG-UHFFFAOYSA-N 278.272 -0.714 10 10 CBCE CN1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C(=O)N1 1631567642 YVKPQKDKEHUHEC-QMMMGPOBSA-N 265.269 -0.898 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@@H](O)C[C@@H]2O)c(O)c1O 2046484033 PRHLSAXKXCPWRC-MRTMQBJTSA-N 255.270 -0.223 10 10 CBCE O=C(O)CC1(O)CN(C(=O)c2ccc(O)c(O)c2)C1 2110676133 RABZOVUGYDCZHU-UHFFFAOYSA-N 267.237 -0.241 10 10 CBCE OCC(CO)(CO)CN[C@H]1CCc2cccc(O)c21 2123233745 ICDPRGRHDUOGAW-NSHDSACASA-N 267.325 -0.068 10 10 CBCE O=C(O)CN(CCO)C(=O)c1cc(O)c(O)c(O)c1 2132347949 AMSHFRYZUJGRRV-UHFFFAOYSA-N 271.225 -0.678 10 10 CBCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)C(=O)O 2132348161 FRWNPSPFBJJDLQ-RNHFCUEFSA-N 271.225 -0.633 10 10 CBCE O=C(NC[C@@H](CO)C(=O)O)c1cc(O)c(O)c(O)c1 2132350478 NUAMJPWRDIKXGN-LURJTMIESA-N 271.225 -0.774 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1N 2132413741 PTZMSGOVZZHXFQ-XCBNKYQSSA-N 268.269 -0.399 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@H]2[C@@H](O)CO)cc1 2258329879 ZTTSMONZJRFYAR-RYUDHWBXSA-N 250.298 -0.235 10 10 CBCE NC(=O)NC(=O)COC(=O)Cc1ccc(N)cc1 41098490 WOBSJUMUMLUROQ-UHFFFAOYSA-N 251.242 -0.451 10 10 CBCE N[C@H](CO)c1cc(CC(=O)O)cc([N+](=O)[O-])c1O 72199246 XHTUHJLWXTULMN-SSDOTTSWSA-N 256.214 -0.080 10 10 CBCE C[C@@H]1[C@](NCCCN=[N+]=[N-])(C(N)=O)CCS1(=O)=O 380957827 RYMSCNKGKKLNBU-APPZFPTMSA-N 275.334 -0.293 10 10 CBCE O=C1CN(CC(=O)N2Cc3cccc(O)c3C2)CCN1 913726196 JUVHEIRGTCEOJO-UHFFFAOYSA-N 275.308 -0.334 10 10 CBCE O=C1C[C@@H](C(=O)NCc2ccc(O)cc2O)NC(=O)N1 1162279136 RUJNGDVPJGVXFS-QMMMGPOBSA-N 279.252 -0.688 10 10 CBCE COc1ccc([C@H](C)NCC(O)(CO)CO)c(O)c1 1913787134 WHRLZAGNBFLKMU-VIFPVBQESA-N 271.313 -0.233 10 10 CBCE O=C(N[C@@H]1CNCC[C@H]1O)c1cccc(O)c1O 2063330292 YQLOVNXTKPTJRB-RKDXNWHRSA-N 252.270 -0.450 10 10 CBCE CN=c1nc[nH]c(=NCCc2ccc(O)c(O)c2)[nH]1 2094896211 GXUSYOTWSAEXRP-UHFFFAOYSA-N 261.285 -0.177 10 10 CBCE O=S1(=O)C[C@H]2NCCN(Cc3ccc(O)c(O)c3)[C@H]2C1 2143719186 KCEYFKSYNRNSSA-MNOVXSKESA-N 298.364 -0.331 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H]2CNC[C@H]21 2144030615 QEZXFRNPGIRUBE-ZWNOBZJWSA-N 278.308 -0.161 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2160715326 HUGHZEOLYAQBQH-OBPYKSBLSA-N 279.292 -0.407 10 10 CBCE N[C@H]1C[C@@H](CNC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)C1 2188921054 ANWBBFULBNNJDO-XHNCKOQMSA-N 282.296 -0.369 10 10 CBCE O=C(NCC[C@]1(O)CCNC1)c1cc(O)c(O)c(O)c1 2238456375 KJMAJJWAYJIIMZ-CYBMUJFWSA-N 282.296 -0.352 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1Cl 2273789616 FNDVHNJTELNRQD-ICCXJUOJSA-N 287.743 -0.017 10 10 CBCE CS(=O)(=O)CCS(=O)(=O)NCCN=[N+]=[N-] 63144148 OSBBRQFXSBUFJQ-UHFFFAOYSA-N 256.309 -0.739 10 10 CBCE CN(C)CCNC(=O)[C@@H](N)c1ccc(O)c(O)c1O 83513276 GNQVXKUTMZYQMZ-VIFPVBQESA-N 269.301 -0.519 10 10 CBCE O=C(O)[C@H]1CNCCN1C(=O)c1ccc(O)c(O)c1 236463251 LSCVAYGXUSSVLQ-MRVPVSSYSA-N 266.253 -0.404 10 10 CBCE Nc1ccc(OCCN2C[C@@H](CO)[C@@H](O)C2)cc1 316085978 JFCBGBOQDTZCJI-GWCFXTLKSA-N 252.314 -0.067 10 10 CBCE CO[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@H]1O 396008353 HRHZTSOWDXLYMY-IJLUTSLNSA-N 263.297 -0.166 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1 1119056220 MTCIMNJKVFZDLU-NEPJUHHUSA-N 250.298 -0.235 10 10 CBCE CN(CC(=O)NC1CC1)C(=O)CN1CC(N=[N+]=[N-])C1 1912170982 FDJFVMZDCYUMPI-UHFFFAOYSA-N 266.305 -0.282 10 10 CBCE O=C(N[C@H]1CCNC[C@H]1F)c1cc(O)nc(O)c1 2029909670 RNHKIZYDOXAFSK-SFYZADRCSA-N 255.249 -0.077 10 10 CBCE C[C@@H](O)[C@@H](CO)NCc1cc2c(cc1O)OCO2 2053798037 PMNMZXIHMCRQML-VXNVDRBHSA-N 255.270 -0.048 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2COC[C@@H]2CO)cc1 2090318532 PODRFORQCNKUIM-JOYOIKCWSA-N 266.297 -0.229 10 10 CBCE COC(=O)NS(=O)(=O)NCCc1ccc(O)c(O)c1 2091754043 SLMOMNRMXGKLFP-UHFFFAOYSA-N 290.297 -0.169 10 10 CBCE CN1CCN(CCn2ccc3c(c2=O)CNCC3)CC1 2150800853 QBBPMWFUSSPEPQ-UHFFFAOYSA-N 276.384 -0.259 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(F)c(F)c2O)[C@@H](O)[C@H]1O 2177949387 RFZFWFVYKNEYOZ-MPZLTGKNSA-N 289.278 -0.137 10 10 CBCE O=C(O)[C@@H]1CNCCN1C(=O)c1cc(O)c(O)c(O)c1 2188919634 OJDOJIVNOWNNRS-ZETCQYMHSA-N 282.252 -0.698 10 10 CBCE CN1CCN[C@H](CNC(=O)COc2ccc(N)cc2)C1 2191674014 KQRJGNCTSURSPZ-GFCCVEGCSA-N 278.356 -0.333 10 10 CBCE Nc1cc(NS(=O)(=O)N2CCOCC2)ccc1O 2220566448 XCGNVQROOGEULG-UHFFFAOYSA-N 273.314 -0.037 10 10 CBCE O=S1(=O)CC(O)(CNCc2cccc(O)c2O)C1 2256070794 CKNSMSOXFWTHLX-UHFFFAOYSA-N 273.310 -0.653 10 10 CBCE N[C@H](CC(=O)O)C(=O)NCc1cc(F)ccc1O 83413885 NEBQZFYTISDHPL-MRVPVSSYSA-N 256.233 -0.051 10 10 CBCE Nc1cc2c(cc1N1CC[C@@H](S(N)(=O)=O)C1)OCCO2 707500303 OBFPICFKEJJVNT-MRVPVSSYSA-N 299.352 -0.093 10 10 CBCE Nc1ccc(CCNS(=O)(=O)C[C@H]2CNCCO2)cc1 866761490 RKQUYAZZUFXFPS-CYBMUJFWSA-N 299.396 -0.281 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CNCC[C@H]2O)cc1 1876668810 CZKSXKOKMYRBIY-NWDGAFQWSA-N 265.313 -0.513 10 10 CBCE O=C(N[C@H]1CNCC[C@@H]1O)c1cccc(O)c1O 2063330289 YQLOVNXTKPTJRB-IUCAKERBSA-N 252.270 -0.450 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2C[C@H]2N)cc1 2071667633 NELJXAIZWCFJMD-GHMZBOCLSA-N 271.342 -0.333 10 10 CBCE O=C(N[C@H]1C(=O)NC[C@@H]1C(=O)O)c1cccc(O)c1O 2144415704 LJMGAGZOUBIFGV-POYBYMJQSA-N 280.236 -0.973 10 10 CBCE Nc1ccc(NC(=O)N2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2183652475 WNAHWECQGUWHMD-MNOVXSKESA-N 279.296 -0.393 10 10 CBCE O=C(O)[C@H]1CNCCN1C(=O)c1cc(O)c(O)c(O)c1 2188919633 OJDOJIVNOWNNRS-SSDOTTSWSA-N 282.252 -0.698 10 10 CBCE Cn1nncc1CCNC(=O)c1cc(O)c(O)c(O)c1 2188921925 FCXQHSGPOVLHLR-UHFFFAOYSA-N 278.268 -0.096 10 10 CBCE COc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)c(N)c1 2191616609 UXVAGVUDIGUJCB-WCQYABFASA-N 297.380 -0.147 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC2[C@@H]3CNC[C@@H]23)cc1 2191645849 QGDPISHLGHBSSQ-VXGBXAGGSA-N 297.380 -0.215 10 10 CBCE C[C@]1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 2197951596 GHMLMLHXFXAFJS-OCCSQVGLSA-N 281.308 -0.016 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CNC2CC2)cc1 2201033780 MVIFZFOZUDMIPO-KFWWJZLASA-N 278.352 -0.159 10 10 CBCE N[C@@H]1CCc2cc(N3CC[C@](O)(CO)[C@@H](O)C3)ccc21 2234097594 VIDJJMXAAAAMPS-ILXRZTDVSA-N 278.352 -0.073 10 10 CBCE CCN1CCC[C@H]1CNC=C1C(=O)N(C)C(=O)N(C)C1=O 28843120 CRUNXCXFDOYAFI-JTQLQIEISA-N 294.355 -0.005 10 10 CBCE COc1cc(N)c(N(CC(N)=O)CC(N)=O)cc1OC 213463356 IKRJJRDEXNUHER-UHFFFAOYSA-N 282.300 -0.937 10 10 CBCE NC[C@@H]1COCCN1C(=O)COc1ccc(N)cc1 1876438950 CVHISMPQWXTZAG-LLVKDONJSA-N 265.313 -0.166 10 10 CBCE Cn1nnc(CN)c1C(=O)NCc1ccccc1O 2093688669 YPLYQMQGKFQKOP-UHFFFAOYSA-N 261.285 -0.091 10 10 CBCE C[C@@H](N)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2127699361 JGVAEEKUCDNKDL-KCJUWKMLSA-N 262.313 -0.504 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132414579 YJLXOMVOKKYLPT-JGVFFNPUSA-N 268.269 -0.663 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@H](N)C[C@@H](O)C2)cc1 2191654462 RDBIQDSPDJTOTH-VXGBXAGGSA-N 279.340 -0.042 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2CNCCOC2)cc1 2191665160 FESAWBLQWBFEOT-LLVKDONJSA-N 279.340 0.000 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1C[C@H](O)[C@@H](O)[C@H]1CO 2232104428 KOYXPXRIKMZZDH-QQUHWDOBSA-N 267.325 -0.049 10 10 CBCE O=C(NC1CC(O)(CO)C1)c1cc(O)nc(O)c1 2256986016 GCKDYWLJMBBSFF-UHFFFAOYSA-N 254.242 -0.892 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(Cl)c1 2273671855 JSRQMBDAZGHRFX-TVYUQYBPSA-N 287.743 -0.017 10 10 CBCE COCCNC(=O)CNC(=O)CCOc1ccc(N)cc1 228681707 HLRSAAPKHOWGDI-UHFFFAOYSA-N 295.339 -0.084 10 10 CBCE NC(=O)COCCNC(=O)Nc1ccc(N)cc1 230075632 MLUXPMCWSLKPEF-UHFFFAOYSA-N 252.274 -0.108 10 10 CBCE CN(C)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 702206766 FRDLPRBCBGPLEV-LLVKDONJSA-N 265.313 -0.058 10 10 CBCE O=C(NC[C@@]1(CO)COCCN1)c1cc(O)cs1 913181506 LCRCBUQRRVQYLZ-LLVKDONJSA-N 272.326 -0.466 10 10 CBCE CN1C(C)(C)[C@](NCCN=[N+]=[N-])(C(=O)O)CS1(=O)=O 1912174602 BLSABTXTEVDVGM-SECBINFHSA-N 291.333 -0.237 10 10 CBCE NC1CN(S(=O)(=O)NCc2ccccc2O)C1 1996876166 ANDXVQCCQIEJAT-UHFFFAOYSA-N 257.315 -0.631 10 10 CBCE N[C@@H]1COCC[C@@H]1NC(=O)c1cc(O)nc(O)c1 2031531731 DUMHQFZHBJYBIR-SFYZADRCSA-N 253.258 -0.661 10 10 CBCE NCc1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1 2056001655 QRNSCXQGOUCWGF-UHFFFAOYSA-N 267.354 -0.115 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2ccc(O)cc2O)C1 2057716444 CQFGNAQLHIGUAH-GXSJLCMTSA-N 273.310 -0.655 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H](O)C3)ccc21 2105077062 YASYBRRJNVDNSS-AUTRQRHGSA-N 263.297 -0.430 10 10 CBCE NC[C@H](O)CCC(=O)NCCc1ccc(O)c(O)c1 2110231353 HMGNWXLHJWPDJL-SNVBAGLBSA-N 268.313 -0.144 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](O)[C@H](O)[C@H]2CF)cc1 2140663931 PRNOCXIDIYHPLW-NTZNESFSSA-N 268.288 -0.287 10 10 CBCE Nc1ccc(CC(=O)N2CCOC[C@@H]2[C@@H](O)CO)cc1 2146322812 FPAHFAPDGWCFJN-OLZOCXBDSA-N 280.324 -0.608 10 10 CBCE CN1CCc2cc(CNCC(CO)(CO)CO)ccc21 2179798979 MODHBVHVSOCFSX-UHFFFAOYSA-N 280.368 -0.268 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](CO)C[C@H]1CO 2188868589 UEJGPGVVYNIAEE-APPZFPTMSA-N 283.280 -0.381 10 10 CBCE O=C(N[C@@H]1CCC[C@H](O)[C@@H]1O)c1cc(O)nc(O)c1 2224348347 LQBNOPLCFSMHKP-VHSKPIJISA-N 268.269 -0.503 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(CN)c1 2235976422 FVEZHGOKJJFLMT-QWHCGFSZSA-N 280.324 -0.535 10 10 CBCE C[C@H](O)CN(CCN)S(=O)(=O)Cc1ccc(N)cc1 2269822857 CNASGSTWJQNNLX-JTQLQIEISA-N 287.385 -0.260 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@H]2[C@H](O)CO)cc1 2270714949 NBMTYHMYQWIBFQ-NWDGAFQWSA-N 265.313 -0.365 10 10 CBCE COc1ccc(CN2CCNC[C@@H]2C(N)=O)c(O)c1 88659682 JCXRKUJPWOIMRO-LLVKDONJSA-N 265.313 -0.340 10 10 CBCE C[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)N(C)C(=O)[C@@H]2N 131406209 HQCRLQXCMCVRHJ-JVXZTZIISA-N 288.307 -0.486 10 10 CBCE NC[C@H]1CN(C(=O)c2ccc(O)c(O)c2)CCO1 236180672 ZNCYBYVJSFOEFV-VIFPVBQESA-N 252.270 -0.103 10 10 CBCE CN1CCN(Cc2cc(C(N)=O)cc(O)c2O)CC1 642880599 ZQXWENLDOXYBSC-UHFFFAOYSA-N 265.313 -0.056 10 10 CBCE COCCN1C[C@H](C(=O)NCCN=[N+]=[N-])CC1=O 701264252 PZDSGBGZZCMVAX-MRVPVSSYSA-N 255.278 -0.092 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H](CO)[C@H]1CO 709876218 UCUOHNLDNBAFKS-PSASIEDQSA-N 282.296 -0.302 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCC2(CO)CO)cc1 1880000116 WTAWJJXYFAHXEJ-UHFFFAOYSA-N 286.353 -0.472 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)N2CC(O)C2)C1 1912165562 MHEVRUUCBDOZDJ-MRVPVSSYSA-N 275.334 -0.070 10 10 CBCE CC(=O)C(=O)[C@H](O)c1nn(C)nc1Br 1956493500 IYRSKAHWRWOAAP-ZCFIWIBFSA-N 262.063 -0.231 10 10 CBCE O=C(N[C@@H]1C[C@@H](O)C[C@@H]1O)c1cc(O)nc(O)c1 2046405546 JXMYQKGJLMUGGZ-PRJMDXOYSA-N 254.242 -0.893 10 10 CBCE CO[C@@H]1CN(C(=O)c2ccc(O)c(O)c2)C[C@H]1N 2058639174 MWTAFHMFOAWQIK-LDYMZIIASA-N 252.270 -0.104 10 10 CBCE O=C1C[C@@H](C(=O)O)N(C(=O)c2ccc(O)c(O)c2)N1 2088093940 XUEMMYBXUOHVSP-LURJTMIESA-N 266.209 -0.572 10 10 CBCE [N-]=[N+]=NCCNC1(C(N)=O)C[C@@H]2CC[C@H](C1)S2(=O)=O 2129828299 NYUGTFKOUFVLMS-JWHQNHQBSA-N 287.345 -0.150 10 10 CBCE COCC[C@H](CN)NC(=O)c1cc(O)c(O)c(O)c1 2132409155 CFCOENWLGXLHBE-MRVPVSSYSA-N 270.285 -0.103 10 10 CBCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2O 2181218510 YRKTWNTWSZSBJG-IJLUTSLNSA-N 278.308 -0.008 10 10 CBCE C[C@H](O)[C@H]1CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2182241389 QDJXVCMEKMQWBG-INTQDDNPSA-N 280.324 -0.051 10 10 CBCE O=C(NC[C@@H]1C[C@@H](CO)CO1)c1cc(O)c(O)c(O)c1 2188874408 HCPHPOVSSHJEGH-CBAPKCEASA-N 283.280 -0.069 10 10 CBCE CSc1ncc(CN=c2nnc(=N)[nH][nH]2)s1 2243768217 IUDGTGIMAOJNJN-UHFFFAOYSA-N 255.332 -0.108 10 10 CBCE Cn1nnnc1[C@H](O)c1ccc(N2CCNCC2)cc1 2286072109 XSWPQJHVLFYIPW-GFCCVEGCSA-N 274.328 -0.299 10 10 CBCE Nc1ccc(CS(=O)(=O)NN2CCOCC2)cc1 214767243 CCHAIXVSUFEFJK-UHFFFAOYSA-N 271.342 -0.065 10 10 CBCE CN1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CC1=O 388407740 ZKTQSCWRBHZQAH-NSHDSACASA-N 283.353 -0.081 10 10 CBCE NC(=O)N1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 393265990 WFZXBFPNVODVQC-NSHDSACASA-N 298.368 -0.159 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1ccc(F)c(F)c1O 703593462 MESKSXSGMZJLTI-UHFFFAOYSA-N 273.239 -0.557 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCOC[C@@H]2O)cc1 706754919 AKPBCFNYGUOXRV-RYUDHWBXSA-N 266.297 -0.086 10 10 CBCE Cn1cc(C=C2C(=O)OC(C)(C)OC2=O)c(=O)n(C)c1=O 1088667568 RKLDHCKJHRCUNJ-UHFFFAOYSA-N 294.263 -0.697 10 10 CBCE O=C1Nc2cc(N(CCO)C3COC3)ccc2[C@H]1O 1915662378 UMISPOXPCJFSSO-GFCCVEGCSA-N 264.281 -0.130 10 10 CBCE CCc1cccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1O 2108829677 POKPKTFLDNHRTO-WVWOOGAGSA-N 267.325 -0.101 10 10 CBCE O=C(CN1CC[C@H](O)[C@@H](O)C1)c1ccc(O)c(O)c1 2132117713 YGBHXPBPBRHGKI-GWCFXTLKSA-N 267.281 -0.292 10 10 CBCE Cn1cnnc1CNC(=O)c1cc(O)c(O)c(O)c1 2132348894 VCTDOZJKYRUQEB-UHFFFAOYSA-N 264.241 -0.138 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCOCC12CNC2 2167627557 ATXSGRYIIUYECJ-UHFFFAOYSA-N 278.308 -0.159 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 2172839067 QISIPIVHUOGNFC-UMNHJUIQSA-N 280.324 -0.145 10 10 CBCE O=C1N[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]2O1 2176927905 PKYBYQLEJOHHTH-GZMMTYOYSA-N 278.264 -0.041 10 10 CBCE O=C(NCc1cc(CO)n[nH]1)c1cc(O)c(O)c(O)c1 2188868637 USKYSJVWIBKUFF-UHFFFAOYSA-N 279.252 -0.051 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1F 2226923335 WATBXKNEXSEPPT-UBJUHAIHSA-N 275.251 -0.124 10 10 CBCE Nc1ccc(OCCC(=O)N2CC[C@@H]2[C@@H](O)CO)cc1 2286214066 OQJMHHBJHHONQB-OLZOCXBDSA-N 280.324 -0.008 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1O 2289357693 KBIOXLUZDZUSDJ-KNUWBNEDSA-N 283.324 -0.404 10 10 CBCE C1=NC2=NC=N[C@@H]2C(N=NC2=NC=N[C@H]3N=CN=C23)=N1 2333261561 ZEHCQPHQOLWEQT-YLWLKBPMSA-N 266.228 -0.063 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1[C@H](C)N 2334467854 DSYTVCNMNLXCNF-VKKKGTNTSA-N 266.341 -0.083 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2CCC(=O)NC2=O)cc1 1554805 KPKVPJGVOIXZJY-JTQLQIEISA-N 261.281 -0.267 10 10 CBCE COC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1O 83512630 DELMOTBLUZGXDL-VIFPVBQESA-N 269.257 -0.110 10 10 CBCE COC(=O)NS(=O)(=O)NCc1cc(N)ccc1O 162762207 SDTFMDFLKLVQDB-UHFFFAOYSA-N 275.286 -0.335 10 10 CBCE C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(O)nc(O)c1 168433744 MWWQRYMYORHWPF-VXNVDRBHSA-N 268.269 -0.285 10 10 CBCE C[C@@H](O)CNCCNC(=O)c1ccc(O)c(O)c1 235239811 LJVXXKMNWPKZCP-MRVPVSSYSA-N 254.286 -0.202 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NCC(=O)O)cc1 305953485 ALMWCDDFXWNEPZ-UHFFFAOYSA-N 274.298 -0.348 10 10 CBCE C[C@@H](O)CN(CCO)C(=O)c1cc(O)nc(O)c1 310938902 KNOHADGSXWMYNZ-SSDOTTSWSA-N 256.258 -0.692 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)C(CO)CO 385792784 ZNHVCONJSDIGAB-UHFFFAOYSA-N 255.270 -0.435 10 10 CBCE Cc1cc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)ccc1CN 693393337 SNSXMXMSCRHEBO-VXGBXAGGSA-N 276.340 -0.523 10 10 CBCE C[C@@H](ONC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)O 709069667 SNKHNKNYDATJDW-SVRRBLITSA-N 284.268 -0.512 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2N)[C@H]1COC[C@@H]1O 709330363 KJUVASOQEZDBGG-SDDRHHMPSA-N 263.297 -0.166 10 10 CBCE COCCNC(=O)NC(=O)CN1CC[C@H](N=[N+]=[N-])C1 1912161677 MEYWDRVCPGCMRE-QMMMGPOBSA-N 270.293 -0.157 10 10 CBCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCS(=O)(=O)C1 1912181893 ULJWRSVSNORKQE-APPZFPTMSA-N 275.334 -0.435 10 10 CBCE CN(C)c1ccc(CNCCNS(N)(=O)=O)cc1 1964619829 BNEUDDSVCCUONP-UHFFFAOYSA-N 272.374 -0.365 10 10 CBCE N[C@@H](Cc1ncns1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2052250707 ZSGPJUQXJGVOIA-FXQIFTODSA-N 268.342 -0.327 10 10 CBCE C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H](O)C(=O)O 2056747211 WDLFPOKNGVAZIP-RDDDGLTNSA-N 252.270 -0.239 10 10 CBCE O=C1C[C@@H](C(=O)NCc2c(O)cccc2O)CN1 2064268829 ILAAKYYTDPYHDQ-SSDOTTSWSA-N 250.254 -0.150 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O 2121473580 IVOCSDQTCNHUEO-VDUILEQBSA-N 269.297 -0.710 10 10 CBCE O=C1NC[C@@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)N1 2177692613 YYXYLQHKTQIKQM-GFCCVEGCSA-N 278.268 -0.610 10 10 CBCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CO)ccc2O1 2226699555 HIXVBKOQBQJWJO-BHGAFXIHSA-N 265.309 -0.087 10 10 CBCE OC[C@]1(O)CCN(c2ccc3c(c2)CC[C@H]3O)C[C@H]1O 2234093076 QNPOKINMUZBVGX-RBSFLKMASA-N 279.336 -0.039 10 10 CBCE Nc1ccc(CC(=O)NCC2(O)CS(=O)(=O)C2)cc1 2267848607 DEWNZTLOCRHYHA-UHFFFAOYSA-N 284.337 -0.913 10 10 CBCE CNCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 43605748 CHOYBSKVCGHCHT-VIFPVBQESA-N 282.296 -0.181 10 10 CBCE CN1CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C1 49086680 AIJBPUDBZUQRKO-QWRGUYRKSA-N 279.340 -0.212 10 10 CBCE CN(C[C@H](N)CN)c1ccc2c(c1)N(C)C(=O)CO2 259059872 QCQFGMKHXFKUGR-SECBINFHSA-N 264.329 -0.236 10 10 CBCE CNC(=O)C[S@](=O)CC(=O)Nc1ccc(N)cc1 384967122 JYHGNHOUZCXXQH-SFHVURJKSA-N 269.326 -0.298 10 10 CBCE CN(C[C@H](O)CN)C(=O)c1cc(O)c(O)c(O)c1 2068624654 RKLMSBCIHFOWAS-SSDOTTSWSA-N 256.258 -0.805 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2(CO)CNC2)cc1 2071698799 YANLOARHXIQRJP-UHFFFAOYSA-N 271.342 -0.978 10 10 CBCE NCc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(F)c1 2090135762 JTDLZGUOJCEOCS-QWHCGFSZSA-N 270.304 -0.157 10 10 CBCE O[C@H]1[C@@H](NCc2ccc3c(c2)CCO3)C[C@@H](O)[C@@H]1O 2108830049 HFZIXIMPTYKQLI-XCCSTKFXSA-N 265.309 -0.434 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1c(F)cc(CO)cc1F 2184130152 DCEQWFRDNVIVQN-SNVBAGLBSA-N 285.250 -0.753 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC1(C(=O)O)COC1 2187937074 NQTJQTXUBOUTGH-UHFFFAOYSA-N 281.264 -0.142 10 10 CBCE C[C@@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CNCCO1 2188915278 GTZSHVCJEWJAIQ-ZDUSSCGKSA-N 282.296 -0.088 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@H]2[C@H](O)CO)cc1 2258329876 ZTTSMONZJRFYAR-NWDGAFQWSA-N 250.298 -0.235 10 10 CBCE CN1CCN(c2ccc3c(c2)N(C)C(=O)[C@H]3N)CC1=O 131401361 SARUEZZYADOGRN-ZDUSSCGKSA-N 274.324 -0.059 10 10 CBCE CNC(=O)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 381896567 XGVYJFJLSJCVJP-UHFFFAOYSA-N 283.353 -0.224 10 10 CBCE [N-]=[N+]=NCCNC1(C(N)=O)CC2(C1)CS(=O)(=O)C2 1912197918 AESLCQQQDASIOC-UHFFFAOYSA-N 273.318 -0.681 10 10 CBCE O=C1C[C@H](C(=O)NCc2c(O)cccc2O)CN1 2064268830 ILAAKYYTDPYHDQ-ZETCQYMHSA-N 250.254 -0.150 10 10 CBCE Cc1ccc(CN(CC(N)=O)CC(N)=O)c(O)c1 2084094098 YRYCNKLAQPGBGU-UHFFFAOYSA-N 251.286 -0.527 10 10 CBCE CN1C[C@H](O)[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 2090333172 GNBOIBVGFZDGEK-SKDRFNHKSA-N 266.297 -0.569 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCOCCO1 2198575869 WYVJMLVEKOWDHJ-JTQLQIEISA-N 282.296 -0.242 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CO)c(OC)c1 2233880895 ZOBDXETXIZCSAK-BZPMIXESSA-N 283.324 -0.256 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@](O)(CO)[C@@H](O)C2)cc1 2234107314 QMXBAZQGZZMKEQ-GXTWGEPZSA-N 280.324 -0.872 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]2[C@H](O)CO)cc1 2270710201 KWWRRODGIJMGLU-VXGBXAGGSA-N 286.353 -0.474 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1CO[C@@H]2CNC[C@H]2O1 2279929104 OTKMPTDQSXSSTM-UPJWGTAASA-N 278.308 -0.236 10 10 CBCE COc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1CO 2333187858 LBZVALVTGQOLMT-LOWVWBTDSA-N 269.297 -0.910 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1cc(OC)ccc1O 83496910 WKURBGUDTTYKMS-LLVKDONJSA-N 268.269 -0.310 10 10 CBCE NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(N)cc1 158811948 GQQDNRKFVRTQSG-LLVKDONJSA-N 278.312 -0.607 10 10 CBCE COC[C@H](O)CN(C)C[C@@H](O)COc1ccc(N)cc1 220220991 IITMFGYVBYUYKY-CHWSQXEVSA-N 284.356 -0.052 10 10 CBCE CCC(CO)(CO)NC(=O)c1cc(O)nc(O)c1 233009321 LHBAYKXIMSXMGD-UHFFFAOYSA-N 256.258 -0.644 10 10 CBCE C[C@H](O)CN(CCO)C(=O)c1cccc(O)c1O 310929540 IOZUQSJGHJVKPS-QMMMGPOBSA-N 255.270 -0.087 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@](O)(CO)C1 313659796 TXSDKADVPQOBEC-NSHDSACASA-N 254.242 -0.938 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCN(C(N)=O)C1 393361783 WFONLCOEOBAMQS-ZETCQYMHSA-N 263.301 -0.067 10 10 CBCE CN(C(=O)CN1C[C@H](O)C[C@H]1CO)c1ccc(N)cc1 698112710 DMMUAFMNDRCPHY-QWHCGFSZSA-N 279.340 -0.341 10 10 CBCE O=C(CN1C(=O)CNC1=O)NCc1c(O)cccc1O 1652622637 CETPYABXWSJTHP-UHFFFAOYSA-N 279.252 -0.734 10 10 CBCE CN(C)C[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1968641519 IHBPIIWRJHWNMG-SNVBAGLBSA-N 268.313 -0.321 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC(CO)CO)cc1 2059276769 GBKLEFVGZBAFRN-UHFFFAOYSA-N 274.342 -0.711 10 10 CBCE Nc1ccc(OCC(=O)NC2(CO)COC2)cc1 2068962109 PGQKISSPEQNOMM-UHFFFAOYSA-N 252.270 -0.475 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1F 2081010684 XUGDBNOXGRJLMJ-SRVKXCTJSA-N 256.277 -0.813 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1N 2089911146 MUFZRLGRRQHKHS-NXEZZACHSA-N 265.313 -0.189 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2COC[C@@H]2O)cc1 2097835061 PQEGQBYVALJVPM-SKDRFNHKSA-N 266.297 -0.229 10 10 CBCE NS(=O)(=O)NCCCNCc1ccc(O)c(O)c1O 2101322289 QELKBIBBIXAOKC-UHFFFAOYSA-N 291.329 -0.924 10 10 CBCE NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccc(O)c1O 2118154614 JLOWYCFFDOCGPE-HTRCEHHLSA-N 266.253 -0.842 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CC[C@@H]1O 2123488064 HGKVACSXSKWTCC-DTWKUNHWSA-N 268.269 -0.285 10 10 CBCE O=C(NC(C(=O)O)C(=O)O)c1cc(O)c(O)c(O)c1 2132348060 CURUTMMXQRLGJG-UHFFFAOYSA-N 271.181 -0.929 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCNC1=O 2132413431 MZJLXCASJCAWQZ-SSDOTTSWSA-N 266.253 -0.236 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](CO)C[C@H]2CO)cc1 2146076162 HVXYCQHNOFJMKF-JQWIXIFHSA-N 280.324 -0.151 10 10 CBCE COc1nc(=N)[nH]c(=NCCc2ccc(O)c(O)c2)[nH]1 2148009974 UDSBDTXXCCRELQ-UHFFFAOYSA-N 277.284 -0.220 10 10 CBCE Cn1c(=O)n(C)n(CC(=O)Nc2ccc(N)cc2)c1=O 2155865168 IIMWSPNNURSNNR-UHFFFAOYSA-N 277.284 -0.894 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@@H]2O 2184738219 QWCSENORUSHCRR-NWDGAFQWSA-N 275.308 -0.544 10 10 CBCE CC(C)(O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868084 LRJUWHPZOQWCHY-VIFPVBQESA-N 285.252 -0.243 10 10 CBCE Nc1ccc(CS(=O)(=O)NCCN2CCNCC2)cc1 2191695492 QVZSEWGLLHGDAY-UHFFFAOYSA-N 298.412 -0.407 10 10 CBCE C[C@@]1(O)CN(C(=O)COc2ccc(N)cc2)CC[C@@H]1O 2201508229 RAFSEQQGWFQRTR-GXTWGEPZSA-N 280.324 -0.008 10 10 CBCE O=C1CCC2(CN(C(=O)c3cc(O)nc(O)c3)C2)N1 2229705463 JITAPBOTFHQJNF-UHFFFAOYSA-N 263.253 -0.403 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2CCO[C@@]2(CO)C1 2239892611 QNEQPSJQHPEKQW-NOZJJQNGSA-N 280.280 -0.284 10 10 CBCE COC(=O)CNC(=O)[C@H](N)c1cccc(C)c1O 83391584 IVJDIPMORMBXLK-SNVBAGLBSA-N 252.270 -0.010 10 10 CBCE C[C@H](O)c1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 693463131 QBEUXAHSAUFXJZ-KPXOXKRLSA-N 277.324 -0.237 10 10 CBCE NC(=O)CC[S@@](=O)C[C@@H](O)COc1ccc(N)cc1 722444219 KLKUBYDFMWHFNN-APBUJDDRSA-N 286.353 -0.367 10 10 CBCE COC[C@@H](C(N)=O)N(C)C(=O)Cc1ccc(O)c(O)c1 1569701339 MFMMZVHCRSNAOK-VIFPVBQESA-N 282.296 -0.401 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC(CO)(CO)C3)cc21 1914979621 DOODHMNSCWUABZ-GFCCVEGCSA-N 278.308 -0.513 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)[C@@H]1CCNC1=O 1916854958 WBXCLSQNDQHEOM-LLVKDONJSA-N 263.297 -0.006 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NCc1cccc(O)c1O 2053780489 PKQUONKDOTYIKE-GZMMTYOYSA-N 252.270 -0.170 10 10 CBCE Nc1ccc(CCC(=O)NCC(CO)CO)cc1 2059279243 DXKSDUGZMJXMSN-UHFFFAOYSA-N 252.314 -0.082 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1 2063741381 XBNVJLMQJFBFRN-RYUDHWBXSA-N 250.298 -0.544 10 10 CBCE CN[C@@H]1COCCN(C(=O)c2cc(O)nc(O)c2)C1 2095855384 XJOSIZRNTHPPQL-VIFPVBQESA-N 267.285 -0.447 10 10 CBCE Cc1cc(N2CCNC(=O)[C@@H]2C(N)=O)ccc1CO 2127701113 MKCNDJTUZXHHRW-NSHDSACASA-N 263.297 -0.723 10 10 CBCE NC(=O)NCC1CN(C(=O)c2cccc(O)c2O)C1 2130747925 QZNJAAGHKPKEEC-UHFFFAOYSA-N 265.269 -0.162 10 10 CBCE C[C@@H](O)CN(CCO)C(=O)c1cc(O)c(O)c(O)c1 2132348853 UJCGVVTXYXWIGW-SSDOTTSWSA-N 271.269 -0.381 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC12COC2 2171876258 BSBPIHNQUIOBBD-JTQLQIEISA-N 278.308 -0.031 10 10 CBCE O=C(O)C1=C[C@@H](O)[C@H](NC(=O)c2cc(O)nc(O)c2)C1 2188067828 VGDXYYBAZZWTLS-HTQZYQBOSA-N 280.236 -0.633 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@H](N)[C@@H](O)C2)cc1 2191635415 QPHSPXJQYCSGAK-WXHSDQCUSA-N 299.396 -0.214 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2CNCC[C@H]2O)cc1 2191899231 UQCOCPTWTZXTNT-QWHCGFSZSA-N 279.340 -0.123 10 10 CBCE COCCNS(=O)(=O)Nc1ccc(O)c(N)c1 2214992337 HCOFSWXMMZOKGH-UHFFFAOYSA-N 261.303 -0.133 10 10 CBCE NC(=O)[C@@H]1COCCN1C(=O)Nc1ccc(N)cc1 129777870 BFVBYFHEARZKEQ-JTQLQIEISA-N 264.285 -0.013 10 10 CBCE C[C@@H](c1ccc(F)cc1O)N(CC(N)=O)CC(N)=O 134016153 XOSSDCBTQRNASH-ZETCQYMHSA-N 269.276 -0.135 10 10 CBCE CN(CCOCCO)C[C@@H](O)COc1ccc(N)cc1 383520205 HRDQNAZYLAONOS-CYBMUJFWSA-N 284.356 -0.051 10 10 CBCE N[C@H](C(=O)O)[C@H](O)c1ccc(N2CCOCC2)cc1 1951908300 VNLYWUVZWYEUIH-NWDGAFQWSA-N 266.297 -0.032 10 10 CBCE COC1(CO)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1963862131 FRCRWKKBNAQCIU-UHFFFAOYSA-N 267.281 -0.140 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCNNCC1 1971734982 QDURIJURVVDZHV-UHFFFAOYSA-N 251.286 -0.423 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCCN1[C@H]1CS(=O)(=O)C[C@@H]1O 2009443547 TVCFFOGZKQBGBL-CIUDSAMLSA-N 260.319 -0.081 10 10 CBCE NC[C@H](O)CC(=O)NCCc1ccc(O)c(O)c1 2031087606 QJNIFPRZGBMFHO-SECBINFHSA-N 254.286 -0.534 10 10 CBCE Nc1ccc(NC(=O)NCCNS(N)(=O)=O)cc1 2039810267 BRLVAUAZKBZJCE-UHFFFAOYSA-N 273.318 -0.817 10 10 CBCE O=C(NCC[C@H](O)CO)c1cc(O)c(O)c(O)c1 2068566463 JZXZLRCYXCIEAC-ZETCQYMHSA-N 257.242 -0.724 10 10 CBCE N[C@H]1CCO[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2091751195 JGEIDQCVPMKUPF-JOYOIKCWSA-N 266.297 -0.127 10 10 CBCE O=C1Nc2cc(N3CC(O)(CO)C3)c(Cl)cc2[C@@H]1O 2115307583 DPNLTBAHYKLJBN-JTQLQIEISA-N 284.699 -0.131 10 10 CBCE N[C@H]1CC(C(=O)N2CC(=O)Nc3ccccc32)=C[C@@H]1O 2188020773 LNNBIDUGLTYLRT-CABZTGNLSA-N 273.292 -0.010 10 10 CBCE COc1cccc(CN2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)c1O 2200865691 SIAKUGUQUYWDGN-XRNSZHNASA-N 283.280 -0.609 10 10 CBCE Nc1ccc(OCCCN2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2201037935 PTNLHECFUWACIB-RDBSUJKOSA-N 282.340 -0.564 10 10 CBCE COc1cccc(O)c1CN1CC(=O)NC[C@@H]1C(=O)O 2201038143 LMEBUVQCEHGPNU-SECBINFHSA-N 280.280 -0.214 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(=O)O)C1 2225792087 JYCKIDDXMLCACY-BQBZGAKWSA-N 288.285 -0.747 10 10 CBCE CN[C@@H](CN1CCN(c2ccc(OC)cc2)CC1)C(N)=O 59531349 VPMNPRAEAZXVRD-AWEZNQCLSA-N 292.383 -0.110 10 10 CBCE NC(=O)NCCNC(=O)COc1ccc(N)cc1 131968469 UGTXYRIMXCIIGA-UHFFFAOYSA-N 252.274 -0.568 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCOC[C@@H]1C(N)=O 158827016 SEVFJRPMQVEWGI-JOYOIKCWSA-N 292.339 -0.218 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)[C@H](O)C1)NC(=O)CO2 236365881 BKEUSDQCOPLCDG-NXEZZACHSA-N 265.269 -0.859 10 10 CBCE O=C1CC[C@@H](NCc2ccc(O)c(O)c2O)C(=O)N1 236590757 HFZMETBEMZIBTR-SSDOTTSWSA-N 266.253 -0.302 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@](O)(CO)C1 313624772 JHLLYFMISBKZLN-GFCCVEGCSA-N 268.269 -0.548 10 10 CBCE CNC(=O)C1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 723151038 QQDVYHFTJFBMGB-NSHDSACASA-N 260.297 -0.179 10 10 CBCE CC(C)C(=O)N[C@@H](CO)C(=O)NCc1ccc(O)cc1O 1299574075 OTMGPHZJQLNKMQ-NSHDSACASA-N 296.323 -0.153 10 10 CBCE O=S1(=O)C[C@@H](NCc2ccc(F)c(F)c2O)[C@@H](O)C1 2121364124 MJQKMYJZWZCTTQ-BDAKNGLRSA-N 293.291 -0.082 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CCN1Cc1ccccc1O 2136388584 QFUCRHXUPFBETH-SDDRHHMPSA-N 267.281 -0.227 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CC[C@H]1O 2205487926 ZXGGERZYYDUXLJ-GARJFASQSA-N 280.324 -0.145 10 10 CBCE CN(C(=O)C1=C[C@H](O)[C@H](N)C1)c1ccc(=O)n(C)c1 2224797287 WEHIKWIEWIHIMF-MNOVXSKESA-N 263.297 -0.634 10 10 CBCE NCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1F 2225728728 MEVJIISAQOAKIE-QWHCGFSZSA-N 270.304 -0.421 10 10 CBCE NCc1cc(F)c(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2332924021 CRBIFGCOVHKWGU-UTUOFQBUSA-N 290.722 -0.160 10 10 CBCE N[C@@H](C(=O)NCCOCCO)c1ccccc1O 83398327 JQPAYHUZCYDSKX-LLVKDONJSA-N 254.286 -0.483 10 10 CBCE CN1CCO[C@@H](CN(CC(N)=O)Cc2ccc(N)cc2)C1 92058429 YTUHOLMSXSSRCL-CQSZACIVSA-N 292.383 -0.113 10 10 CBCE O=C1CN(CC(=O)c2ccc(O)c(O)c2)CC(=O)N1 97269529 HDQMVVOMZAVCDF-UHFFFAOYSA-N 264.237 -0.761 10 10 CBCE NC(=O)[C@H]1C[C@H](O)CN1C(=O)CCOc1ccc(N)cc1 103475904 OKKKTHQCXNRGDH-CMPLNLGQSA-N 293.323 -0.515 10 10 CBCE C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H](CO)O1 229992212 BOGPKSTZJFVVRC-APPZFPTMSA-N 268.269 -0.285 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 704630491 JQYGMHSYYTWOBP-QWRGUYRKSA-N 280.324 -0.293 10 10 CBCE O=C1Nc2cc(N3CC(CO)(CO)C3)c(F)cc2[C@H]1O 1914980294 SKQREEKNXSWGSA-LLVKDONJSA-N 282.271 -0.398 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC(OCCO)C1 2034841259 NMUDMGMKFHQJDF-UHFFFAOYSA-N 254.242 -0.674 10 10 CBCE N[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cc(O)c(O)c(O)c1)C2 2068621075 LUHOKFBBVBMHID-NYNCVSEMSA-N 250.254 -0.025 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1Cl 2184134222 BHAOTXINGDLFHO-LLVKDONJSA-N 296.758 -0.151 10 10 CBCE NC(=O)NCC1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 2187294007 QNTMBAYXTVHJAC-NSHDSACASA-N 276.296 -0.223 10 10 CBCE O=C(N[C@@H]1CO[C@H]2CNC[C@H]12)c1cc(O)c(O)c(O)c1 2188922733 HUMLASNDBYVKKQ-XLDPMVHQSA-N 280.280 -0.480 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2[C@H]3OCC[C@H]3[C@H]2N)cc1 2191634448 LONVTIZUKBMDOO-LOWDOPEQSA-N 297.380 -0.197 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](O)[C@H](O)[C@H]1C2 2355337397 CLMQLGHZQSYKNT-UKHPNBTGSA-N 280.280 -0.551 10 10 CBCE C[C@@H](NC(=O)[C@H]1NCC[C@@H](O)[C@H]1O)c1ccccc1O 2357204523 NVXYQZLVFKURPO-WRSRJMLGSA-N 280.324 -0.347 10 10 CBCE C1=NC2=NC=N[C@@H]2C(/N=N/C2=NC=NC3=NC=N[C@H]32)=N1 5836727 VTZLJLGAVCQCHY-GNZAABNPSA-N 266.228 -0.063 10 10 CBCE C[C@H](NC(=O)COc1ccc(N)cc1)[C@H](O)CO 698970655 MYDYXBQABYZULM-GZMMTYOYSA-N 254.286 -0.495 10 10 CBCE CN(C)C[C@H](O)CNC(=O)Cc1ccc(N)cc1 717388596 RDCRDRPIZZUHOX-GFCCVEGCSA-N 251.330 -0.150 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC2(CO)COC2)cc1 717672435 KRNZIHSTHCQNEG-UHFFFAOYSA-N 286.353 -0.303 10 10 CBCE CC(=O)C(=O)COC(=O)Cn1nnnc1C(C)C 808522530 GZJKCTQWODOVHL-UHFFFAOYSA-N 254.246 -0.502 10 10 CBCE CS(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1153879754 XJIAINNGOJTCEF-UHFFFAOYSA-N 259.283 -0.241 10 10 CBCE NS(=O)(=O)C1CN(C(=O)c2ccc(O)c(O)c2)C1 1914994840 YGZWXNJNGLDVRM-UHFFFAOYSA-N 272.282 -0.789 10 10 CBCE O=C1C[C@@H](CNC(=O)c2cc(O)nc(O)c2)CN1 2066431913 YBBARSNXGSTGJK-ZCFIWIBFSA-N 251.242 -0.641 10 10 CBCE Nc1ccc(OCC(=O)N2CCNNCC2)cc1 2071707709 UPOCNPJZTOUTDP-UHFFFAOYSA-N 250.302 -0.416 10 10 CBCE Nc1ccc(CS(=O)(=O)NCc2nc(=O)o[nH]2)cc1 2116168918 VBBHCBXVFGOHLV-UHFFFAOYSA-N 284.297 -0.435 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1CCc1ccc(N)cc1 2127709347 JIDNGJNHBUQWEV-LLVKDONJSA-N 262.313 -0.903 10 10 CBCE O=C(O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144020444 UMNNTSVEMNPJHO-SSDOTTSWSA-N 283.236 -0.316 10 10 CBCE COc1ccc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)c(N)c1 2166792662 HKLAIRSVNKOZEV-UWVGGRQHSA-N 276.296 -0.919 10 10 CBCE Cc1cccc(CNC(=O)CN2C(=O)CNC2=O)c1O 2204620934 CZHYKIGZPFVQQL-UHFFFAOYSA-N 277.280 -0.131 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(CO)cc1F 2225519040 PDKFHORGVIYIBG-AGIUHOORSA-N 271.288 -0.125 10 10 CBCE Nc1cc2c(cc1N1CC(=O)NC(=O)C1)OCCO2 97268020 GJQZWXBSLMFWOZ-UHFFFAOYSA-N 263.253 -0.497 10 10 CBCE Nc1ccc(OCC(=O)NC[C@]2(O)CCOC2)cc1 227094022 PINWZQLPEMNFTH-CYBMUJFWSA-N 266.297 -0.085 10 10 CBCE C[C@@H](O)CN(CCO)CC(=O)Nc1ccc(N)cc1 388318837 IKIXOIWODADJIN-SNVBAGLBSA-N 267.329 -0.118 10 10 CBCE O=C(/C=C\c1ccc(O)c(O)c1)NCCn1cnnn1 1588188546 HJFLRQMGPMGVQL-RQOWECAXSA-N 275.268 -0.086 10 10 CBCE NCc1ccc(N2CC(O)(C(N)=O)C2)c(F)c1F 1915223966 MKOSEKKITYPBBQ-UHFFFAOYSA-N 257.240 -0.540 10 10 CBCE COC(=O)[C@@H](N)[C@H](OC)c1ccc(O)c(O)c1O 1952364060 AVVJVBHMZLOWOX-OIBJUYFYSA-N 257.242 -0.009 10 10 CBCE OC[C@H](O)CCNCc1cc2c(cc1O)OCO2 1967858870 XSCSZXKDRABJAE-SECBINFHSA-N 255.270 -0.046 10 10 CBCE O=C(NC1([C@H](O)CO)CC1)c1cc(O)nc(O)c1 2069744507 QJSIVJKANLGJRM-SSDOTTSWSA-N 254.242 -0.892 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)CC12CNC2 2130066649 UKTMNOAFBBQRDE-SECBINFHSA-N 264.281 -0.353 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1Cc1ccc(F)cc1O 2139762013 MTNHUKPIIXWMTP-OUAUKWLOSA-N 271.244 -0.478 10 10 CBCE CS(=O)(=O)[C@@H]1CNC[C@H]1NC(=O)Cc1ccc(N)cc1 2192674354 GDVCYLKOUFTTEY-VXGBXAGGSA-N 297.380 -0.688 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1[C@@H](C)N 2334468636 DSYTVCNMNLXCNF-JXJLXUTGSA-N 266.341 -0.083 10 10 CBCE Oc1cc2c(cc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O)OCO2 2354717365 PAMWFWJIUZZKAV-LQVCDDRESA-N 283.280 -0.935 10 10 CBCE O=C1NC(=O)C(=Cc2ccc(OCCO)cc2)C(=O)N1 6221425 XBEHBIMVANQXRN-UHFFFAOYSA-N 276.248 -0.193 10 10 CBCE CC[C@H]1C(=O)NC(=O)CN1C(=O)c1cccc(O)c1O 126466073 ZSDPEAFZVHKOGX-QMMMGPOBSA-N 278.264 -0.025 10 10 CBCE NC(=O)NCCNC(=O)[C@H]1CNc2ccccc2N1 229883803 NGRPMZSSWANYLY-SNVBAGLBSA-N 263.301 -0.323 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CCOC[C@@H](O)C3)ccc21 399864658 NUJMLVJRCZZSGP-JOYOIKCWSA-N 263.297 -0.164 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCOC[C@H](O)C2)cc1 399901996 AYYGXOLAGLWQGA-GFCCVEGCSA-N 286.353 -0.208 10 10 CBCE NC[C@@H]1COC[C@H]1NC(=O)c1cc(O)nc(O)c1 2036604009 YDQHZHNJLDMJHP-HTQZYQBOSA-N 253.258 -0.804 10 10 CBCE CN(Cc1ccccc1O)CC(CO)(CO)CO 2072449132 VBIYKVVBMARUPW-UHFFFAOYSA-N 255.314 -0.213 10 10 CBCE O=C(O)CC1(O)CN(C(=O)c2cc(O)nc(O)c2)C1 2110675608 KAQWHIVKOCESKE-UHFFFAOYSA-N 268.225 -0.846 10 10 CBCE C[C@H]1CNC(=O)CN1C(=O)COc1ccc(N)cc1 2124759260 NTOMCTGVWPLMFT-VIFPVBQESA-N 263.297 -0.006 10 10 CBCE CN1C[C@H](NC(=O)CCOc2ccc(N)cc2)[C@H](O)C1 2146513572 KEJIRPPYTDMVKB-QWHCGFSZSA-N 279.340 -0.171 10 10 CBCE CN(Cc1ccc(N)cc1)C(=O)[C@@H]1CC(=O)NC(=O)N1 2148897741 UATXJLXCWYWNCI-JTQLQIEISA-N 276.296 -0.175 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2COC[C@]2(CO)C1 2234582406 HMUXTWKNDHKYDR-NOZJJQNGSA-N 280.280 -0.426 10 10 CBCE COc1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(CN)c1 2235965746 ISPULEHMAQZRNJ-UHFFFAOYSA-N 297.380 -0.107 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)ccc1CN 2273781674 JSGMXTFOHQWNSO-KWCYVHTRSA-N 266.341 -0.396 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](O)[C@@H](O)[C@@H]1CF 2333232464 QGRBRONZVJSZKU-PJKMHFRUSA-N 272.232 -0.992 10 10 CBCE CNC(=O)CN(C)S(=O)(=O)Cc1ccc(N)cc1 37270421 ZICBZUQYMIFUNH-UHFFFAOYSA-N 271.342 -0.224 10 10 CBCE NC(=O)NC(=O)COC(=O)CCc1ccc(N)cc1 41101677 PXTSKNCUNDGUJN-UHFFFAOYSA-N 265.269 -0.061 10 10 CBCE COc1cccc(CNC(=O)[C@@H](O)CCN)c1O 83398232 RFEKEVLZHDVGBI-VIFPVBQESA-N 254.286 -0.273 10 10 CBCE CN(C)c1ccc([C@H](N)C(=O)NC[C@@H](O)CO)cc1 83495157 FKPGVVQZTVGZNS-NEPJUHHUSA-N 267.329 -0.778 10 10 CBCE [N-]=[N+]=NCCCN[C@@]1(C(=O)O)CCS(=O)(=O)C1 90258853 CKKXNVHIKQNZTJ-QMMMGPOBSA-N 262.291 -0.082 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1O)[C@H]1CNc2ccccc2N1 323362893 BTHUMIISCSXHBR-UTUOFQBUSA-N 263.297 -0.232 10 10 CBCE CS(=O)(=O)NC1CN(c2ccc(CO)cc2)C1 702999793 WZXZNWVUZHUKOB-UHFFFAOYSA-N 256.327 -0.083 10 10 CBCE CN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1cn[nH]c1 746444694 BHGJKMUDJIGXAL-SNAWJCMRSA-N 289.295 -0.517 10 10 CBCE Cn1nc(CN)cc1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049783087 QXHGMPDSTQPZJH-ZKCHVHJHSA-N 250.302 -0.242 10 10 CBCE O=C(N[C@H]1COC[C@@H]1O)c1cc(O)c(O)c(O)c1 2068575435 CNSIPRAPBHACRK-RCOVLWMOSA-N 255.226 -0.707 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(N)=O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2104840792 MEFZQYDDZKVLHN-DIYOJNKTSA-N 287.345 -0.435 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)C[C@@H](O)C2)cc1 2105109853 CYADLCICJAIQJL-VXGBXAGGSA-N 286.353 -0.474 10 10 CBCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)C(=O)O 2120348610 YWZAKAUBRRZVOU-KSBSHMNSSA-N 269.253 -0.410 10 10 CBCE Nc1ccc(NC(=O)CN2CC[C@@H](O)[C@H](O)C2)cc1 2132114222 BMGMTUNSJMCHTM-VXGBXAGGSA-N 265.313 -0.365 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CCC[C@H]2O 2184686614 IYRUHBLFODUYKG-GFCCVEGCSA-N 277.324 -0.167 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1O 2289486811 AFWXHXYOGYUPHG-LBLXLQPISA-N 282.340 -0.438 10 10 CBCE CN1C(=O)NC(=O)C(=CNCCN2CCCCC2)C1=O 2297681144 UZHVSJRAGSEQHK-UHFFFAOYSA-N 280.328 -0.346 10 10 CBCE COc1ccc([C@@H](N)C(=O)NC[C@@H](C)O)c(O)c1 83398367 NENBPXZEEZTRGX-RDDDGLTNSA-N 254.286 -0.102 10 10 CBCE Nc1cc2c(cc1N1CC(=O)NC(=O)C1)CCC(=O)N2 97267955 HLKOYGRMVJDDGH-UHFFFAOYSA-N 274.280 -0.384 10 10 CBCE CCCOc1ccc(CN(CC(N)=O)CC(N)=O)c(O)c1 134025586 YUBDYZBPTZXRLX-UHFFFAOYSA-N 295.339 -0.046 10 10 CBCE COC[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 229118009 JYZLLVCOKVHWIB-UWVGGRQHSA-N 284.312 -0.909 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2OCCN[C@H]2C1 404087102 RSVRFUFWXIQSRN-VHSXEESVSA-N 279.296 -0.304 10 10 CBCE CNC(=O)CN(CC(=O)NC)c1ccc(CO)cc1F 720536049 NUTWFCJLWKJIKG-UHFFFAOYSA-N 283.303 -0.384 10 10 CBCE O=C(N[C@]12CNC[C@H]1C2)c1cc(O)c(O)c(O)c1 2068624416 PESZXMQUBFTCGW-JMCQJSRRSA-N 250.254 -0.105 10 10 CBCE CN(C[C@H](O)CN)C(=O)CCc1ccc(N)cc1 2071687891 XCOXYXBECVQIGO-GFCCVEGCSA-N 251.330 -0.021 10 10 CBCE CNC[C@@H](O)CN(C)C(=O)c1cc(O)c(O)c(O)c1 2132414690 ZKFUGWHZDQLBCR-MRVPVSSYSA-N 270.285 -0.544 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN[C@@H]2COC[C@H]21 2132438697 XYKUTHVXFSKYJS-NXEZZACHSA-N 264.281 -0.089 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 2136584773 JJLGWFSNZIXUCD-MBTKJCJQSA-N 262.265 -0.099 10 10 CBCE O=C(N[C@@]1(C(=O)O)CCCOC1)c1cc(O)nc(O)c1 2169562011 RDNWQQXXQCPXHH-LBPRGKRZSA-N 282.252 -0.144 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@@H](O)[C@H](O)C3)cc21 2188674888 AISIGCUNWQVWLZ-JHJVBQTASA-N 278.308 -0.372 10 10 CBCE CCOC(=O)Cn1[nH]c2cc(O)nc(O)c2c1=O 259586046 KVBKNUMJXKMTAV-UHFFFAOYSA-N 253.214 -0.301 10 10 CBCE COc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(N)c1 311067494 YIKGPFVLLNSXSU-LBPRGKRZSA-N 251.286 -0.296 10 10 CBCE COC(=O)[C@H](O)CN(CC(N)=O)Cc1ccc(N)cc1 312715216 HTWPMWQPPKBJJU-LLVKDONJSA-N 281.312 -0.910 10 10 CBCE CC(=O)NCCNC(=O)CN(C)c1ccc(N)cc1 702109785 AWZLWWFKRJHORI-UHFFFAOYSA-N 264.329 -0.043 10 10 CBCE Nc1cc2c(cc1N1C[C@@H]3C(N)[C@H]3C1)NC(=O)CO2 1876188233 KMRSLZCFYLBSAJ-BQBZGAKWSA-N 260.297 -0.007 10 10 CBCE O=C1C[C@H](c2cc(O)c(O)c(O)c2)[C@@H](C(=O)O)N1 1951858176 FKMRWKBJPKJBMR-ANLVUFKYSA-N 253.210 -0.140 10 10 CBCE N[C@@H]1COC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 2036569409 UVFMGWFECJBOBX-DTWKUNHWSA-N 252.270 -0.199 10 10 CBCE Nc1ccc(CCOCC(CO)(CO)CO)cc1 2059322034 OUHFASMTYVXKCB-UHFFFAOYSA-N 255.314 -0.209 10 10 CBCE CS(=O)(=O)C1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2095965527 YCISGJDPGBQGQU-NSHDSACASA-N 281.337 -0.128 10 10 CBCE C[C@@H](CS(N)(=O)=O)NCc1cc2c(cc1O)OCO2 2096641860 ISCUDIQISXVXMH-ZETCQYMHSA-N 288.325 -0.113 10 10 CBCE O=C(N[C@H]1CNCC[C@@H]1CO)c1cc(O)nc(O)c1 2116271478 XKMLSSHDAFLOEI-APPZFPTMSA-N 267.285 -0.807 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2136340955 JQGUZPVEZNHNMI-HZSPNIEDSA-N 266.341 -0.400 10 10 CBCE C[C@H](O)CN1CCN(C(=O)c2cc(O)nc(O)c2)CC1 2170221770 TXYJGAMMJGRSTM-VIFPVBQESA-N 281.312 -0.369 10 10 CBCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)N1CC(O)C1 2213598310 SMLFOFVZQIBFAK-JGVFFNPUSA-N 261.307 -0.271 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1CCc1ccc(N)cc1 2225701612 LPRVTMMXYUDHRZ-MCIONIFRSA-N 266.341 -0.136 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CN[C@H](CO)[C@H]2C1 2235557382 ODYJTNBHWOBNEN-LPEHRKFASA-N 279.296 -0.855 10 10 CBCE CN1C(=O)C(=CNCCCn2ccnc2)C(=O)NC1=S 2297060196 IEJFCVSSRHOPGQ-UHFFFAOYSA-N 293.352 -0.380 10 10 CBCE COC(=O)[C@H](N)CN1CCc2cc(O)c(O)cc2C1 2343411158 BXPOABQROAKZPA-SNVBAGLBSA-N 266.297 -0.044 10 10 CBCE CC(=O)NC1=NC(=O)/C(=C\N2CCOCC2)S1 5851953 UWYDGRMOCAXDLJ-SOFGYWHQSA-N 255.299 -0.075 10 10 CBCE Nc1ccc(-n2ccc(C(=O)NC[C@@H](O)CO)n2)cc1 90281800 HTOSHGOWUYRNBS-LLVKDONJSA-N 276.296 -0.463 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)C[C@@H]3CO)cc21 698112727 FAAICDGBSAHRKS-GBIKHYSHSA-N 277.324 -0.405 10 10 CBCE N[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1119037239 QWVZLWALCZCNBP-SNVBAGLBSA-N 275.308 -0.206 10 10 CBCE NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(N)cc1 1876147853 AWSPAUXMWSDIBW-NXEZZACHSA-N 264.285 -0.279 10 10 CBCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C1(O)CNC1 1876458797 HPLXCCFLYYJWEP-VIFPVBQESA-N 285.369 -0.589 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCNC[C@@H]1CO 2034686265 INSMMBXSQLXCMZ-SECBINFHSA-N 252.270 -0.496 10 10 CBCE COC[C@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2092831213 QEMQBPUYGYDYGF-ZETCQYMHSA-N 270.241 -0.288 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NCc1ccc(O)c(O)c1O 2117464336 XQOHJMALJRILKI-RDDDGLTNSA-N 268.269 -0.464 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2C(=O)NC[C@@H]2C(=O)O)cc1 2144406809 QFHKKSPCQROULY-GXSJLCMTSA-N 277.280 -0.873 10 10 CBCE CN(C(=O)CN1CC(S(C)(=O)=O)C1)c1ccc(N)cc1 2152286888 SBQAQQJRHRUEBK-UHFFFAOYSA-N 297.380 -0.040 10 10 CBCE COc1ccc(CN2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)c(O)c1 2200855342 BAFMXQDOVJCYRV-QJPTWQEYSA-N 283.280 -0.609 10 10 CBCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 2225797222 DRQXCBNIDZECAN-ACZMJKKPSA-N 266.261 -0.068 10 10 CBCE C[C@@H]1Cc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CO)ccc2O1 2226699556 HIXVBKOQBQJWJO-JRQIVUDYSA-N 265.309 -0.087 10 10 CBCE O=C(O)C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 126071280 AQTHSRUNYMFFJO-ZCFIWIBFSA-N 269.209 -0.245 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@H]1CNC(=O)CN1 230879851 NAMVNQSDTBKXAX-SNVBAGLBSA-N 263.297 -0.561 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)[C@H](O)C2)cc1 236362213 OYYXFPKPSBVSJY-GHMZBOCLSA-N 272.326 -0.864 10 10 CBCE CN1CCN(C(=O)COc2ccc(N)cc2)C[C@@H]1CO 687599628 OQSHVGDDHWOGOM-GFCCVEGCSA-N 279.340 -0.218 10 10 CBCE NCc1nc(NC(=O)COc2ccc(N)cc2)n[nH]1 1876665304 MPMZEPJBECMUKT-UHFFFAOYSA-N 262.273 -0.137 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1COC[C@@H]1CO 2046435660 JGKIGZOKYPBKSQ-XVKPBYJWSA-N 251.286 -0.213 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2046513941 JSISNXDOHCXIBW-SASUGWTJSA-N 255.270 -0.958 10 10 CBCE NCCN(CCO)S(=O)(=O)Cc1ccc(N)cc1 2071733313 CEFVSCOMVGBPPW-UHFFFAOYSA-N 273.358 -0.648 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)C[C@@H]3CO)ccc21 2146081202 NUMUFFIDYRHSLZ-PLMOITTCSA-N 277.324 -0.182 10 10 CBCE CN(C)c1ccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)cc1 2177944832 OLTHETWLMSQHRT-REBRKWNGSA-N 280.368 -0.055 10 10 CBCE O=C(N[C@@H]1CO[C@H]2COC[C@H]12)c1cc(O)c(O)c(O)c1 2188916009 MKVWBZLDEUHIAC-XLDPMVHQSA-N 281.264 -0.053 10 10 CBCE CCNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40468484 CBABBZKLAYPYEF-JTQLQIEISA-N 295.339 -0.438 10 10 CBCE O=C(O)CN1C(=O)CN(c2ccc3c(c2)OCO3)CC1=O 74413581 PSHPXHUJNVPRQE-UHFFFAOYSA-N 292.247 -0.325 10 10 CBCE NC(=O)[C@@H]1COCCN1C(=O)CCOc1ccc(N)cc1 158738139 FRDMVZFFXFZOJD-LBPRGKRZSA-N 293.323 -0.250 10 10 CBCE CCN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@H](O)C3)ccc21 233607218 JBTZITKLKTVLAZ-XQQFMLRXSA-N 277.324 -0.169 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN2C[C@@H](O)C[C@H]2C1 405308458 LXIDNYDMTFFCAX-QWRGUYRKSA-N 278.308 -0.011 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2CCOC[C@H]2O)cc1 706777688 LCTKXAKSADFNKP-NWDGAFQWSA-N 286.353 -0.162 10 10 CBCE O=C(Cn1ccc(O)nc1=O)NCc1ccc(O)cc1O 1626838323 WTWSONZPZFTKPP-UHFFFAOYSA-N 291.263 -0.324 10 10 CBCE NC(=O)CC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865875887 KVVGNEMVEWRZLC-LURJTMIESA-N 298.251 -0.748 10 10 CBCE NS(=O)(=O)NCCNCc1c(O)cccc1F 1997956309 JSJAIYKFXBGOEL-UHFFFAOYSA-N 263.294 -0.586 10 10 CBCE OC[C@@H]1C[C@H](NCc2c(O)cccc2F)[C@@H](O)[C@H]1O 2121477215 ZZYAQKIOJFBMLV-CETXONJKSA-N 271.288 -0.277 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@H]2CNC(=O)O2)cc1 2129936239 VABHBWPTDCBFEC-SNVBAGLBSA-N 285.325 -0.203 10 10 CBCE COC[C@H](NC(=O)[C@@H]1CNc2ccccc2N1)C(N)=O 2152365551 LHLHLRZTINQBTP-QWRGUYRKSA-N 278.312 -0.491 10 10 CBCE COCCN(CC(=O)O)C(=O)c1cc(O)c(O)c(O)c1 2188867617 DHMIJKMSDINAJG-UHFFFAOYSA-N 285.252 -0.023 10 10 CBCE CCn1nnnc1CNC(=O)c1cc(O)c(O)c(O)c1 2188920075 RYAFRSRNOTXUON-UHFFFAOYSA-N 279.256 -0.260 10 10 CBCE O=C(N[C@@]1(C(=O)O)CCNC1)c1cc(O)c(O)c(O)c1 2188924931 RRLQYSYSWAFYKQ-LBPRGKRZSA-N 282.252 -0.650 10 10 CBCE Nc1ccc(CS(=O)(=O)NCC2(CCO)CNC2)cc1 2191771444 DVGWOLKBNNIGLG-UHFFFAOYSA-N 299.396 -0.340 10 10 CBCE COc1cc(N2CC3(C2)OC[C@H](O)[C@H]3O)ccc1CN 2204546254 ZMNHAUGTBFESGC-WCQYABFASA-N 280.324 -0.535 10 10 CBCE Cc1cccc(CNCC2(O)CS(=O)(=O)C2)c1O 2256072514 GGFSGYQYAIPRJW-UHFFFAOYSA-N 271.338 -0.050 10 10 CBCE COc1ccc(N2CCN(CC(=O)NCCO)CC2)cc1 35649686 LKWGGQZBHRTWKV-UHFFFAOYSA-N 293.367 -0.074 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCCNC(=O)C2)cc1 87883918 XOKWCMCULHTOHI-UHFFFAOYSA-N 283.353 -0.080 10 10 CBCE C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)c(O)c1)C(=O)O 210476989 MBIIUMDOQSMHKJ-HTRCEHHLSA-N 268.269 -0.443 10 10 CBCE O=C1CN(c2ccc3c(c2)OCO3)[C@@H](C(=O)O)CN1 217042641 QKEGDUMPTMHODC-MRVPVSSYSA-N 264.237 -0.195 10 10 CBCE COCCNC(=O)CCNC(=O)COc1ccc(N)cc1 228307312 BWHVVFJYXKLUDO-UHFFFAOYSA-N 295.339 -0.084 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](O)[C@H](CO)C2)cc1 317734222 WHRPTZZQSCPSSI-JOYOIKCWSA-N 265.313 -0.508 10 10 CBCE COC[C@](C)(O)CNC(=O)c1cc(O)nc(O)c1 382567581 OPVFFNLBTKCQHH-LLVKDONJSA-N 256.258 -0.380 10 10 CBCE C[C@@H](NC(C(N)=O)C(N)=O)c1ccc(N(C)C)cc1 710083380 HVGKPIVLVQXRHK-MRVPVSSYSA-N 264.329 -0.258 10 10 CBCE Cn1cnn(CC(=O)NCc2ccc(O)cc2O)c1=O 1570462256 LNPRZIFZZJVECW-UHFFFAOYSA-N 278.268 -0.691 10 10 CBCE Cn1nnc(CNC(=O)Cc2ccc(O)c(O)c2)n1 1634565680 SEQXOSQMAIXVAN-UHFFFAOYSA-N 263.257 -0.520 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1OC 2084013071 ZAKJXXVSSGOWOC-RYUDHWBXSA-N 252.314 -0.044 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@H](O)C(=O)O 2087724121 CNLRXAQJLXSMBL-SECBINFHSA-N 269.253 -0.408 10 10 CBCE C[C@@H](CS(N)(=O)=O)NC(=O)COc1ccc(N)cc1 2096643238 NRINKQXVYWJMPY-QMMMGPOBSA-N 287.341 -0.559 10 10 CBCE O=C(O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2144031388 ZANWDAYVUYWSDF-RKDXNWHRSA-N 281.264 -0.313 10 10 CBCE CO[C@@H]1COC[C@@H]1N(CC(N)=O)Cc1ccc(N)cc1 2146756630 OKCYUELTNANTEG-QWHCGFSZSA-N 279.340 -0.030 10 10 CBCE CNC1CN(S(=O)(=O)NCc2ccc(N(C)C)cc2)C1 2159015119 MZHCCIHIGWZYPS-UHFFFAOYSA-N 298.412 -0.009 10 10 CBCE CN1C(=O)NCC12CN(C(=O)c1cc(O)nc(O)c1)C2 2177692950 CCLWYEXPVYPYQD-UHFFFAOYSA-N 278.268 -0.658 10 10 CBCE COC1(CCN)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188923931 NOBJINJSXORMES-UHFFFAOYSA-N 282.296 -0.007 10 10 CBCE O=C1C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)CO1 2264172683 INEHZWUREQVELK-LURJTMIESA-N 253.210 -0.151 10 10 CBCE CCN(CCN=[N+]=[N-])S(=O)(=O)CCS(C)(=O)=O 2300531774 LSOINKHIYZRZLM-UHFFFAOYSA-N 284.363 -0.007 10 10 CBCE COC(=O)[C@H](O)COC(=O)Cc1ccc(N)cc1 311155077 WYRHIWLJOYKMMV-SNVBAGLBSA-N 253.254 -0.112 10 10 CBCE CN(C(=O)c1ccc(O)c(O)c1)[C@@H]1COC[C@H]1N 708132555 YWKRFVCHZDONHU-RKDXNWHRSA-N 252.270 -0.104 10 10 CBCE CN(C)c1ccc([C@H](N)CNS(=O)(=O)C2CNC2)cc1 923633882 ITBQYVBVVOLQKA-CYBMUJFWSA-N 298.412 -0.356 10 10 CBCE NC(=O)CN1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 1443537695 QQCAKPZZARUPJU-SECBINFHSA-N 293.323 -0.223 10 10 CBCE O=S1(=O)CCN[C@H](c2c(O)cc(O)cc2O)C1 1952599521 XVTAUXQQSVGBDV-ZETCQYMHSA-N 259.283 -0.138 10 10 CBCE NC(=O)CN(CC(N)=O)Cc1ccc(Cl)cc1O 2029641715 QDBRDSXTNKKLHB-UHFFFAOYSA-N 271.704 -0.182 10 10 CBCE COc1ccc(N2CC(OC)(C(N)=O)C2)c(N)c1 2042978785 LNPUPXKVXWXNDB-UHFFFAOYSA-N 251.286 -0.032 10 10 CBCE O=S1(=O)C[C@@H](O)[C@@H](NCc2c(O)cccc2F)C1 2057714416 QEXUKQGGJQCWFC-GXSJLCMTSA-N 275.301 -0.221 10 10 CBCE Cn1nncc1S(=O)(=O)NCc1cc(N)ccc1O 2088149170 QOOUBPPGUUOILN-UHFFFAOYSA-N 283.313 -0.419 10 10 CBCE OC[C@@H]1C[C@H](NCc2cc(F)cc(F)c2O)[C@H](O)[C@H]1O 2177949523 SANKKJBXINLKEE-QNWTXNENSA-N 289.278 -0.137 10 10 CBCE CCNCc1cc(OC)ccc1N1CC(O)(C(N)=O)C1 2235965371 ZTFXONPTMCXBRL-UHFFFAOYSA-N 279.340 -0.159 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@H](O)CC3)ccc2[C@@H]1O 2284540478 BZJJIIABPJCXGA-XQQFMLRXSA-N 278.308 -0.006 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311712581 LQZPPWKAFFHXFR-XQQFMLRXSA-N 252.314 -0.691 10 10 CBCE NC(=O)C(NCc1ccc(F)c(F)c1O)C(N)=O 703342894 XPEDDXRROFYULH-UHFFFAOYSA-N 259.212 -0.901 10 10 CBCE O=C(N[C@@H]1CCOC[C@@H]1O)c1cccc(O)c1O 706743263 ACADLUMUPGZHFO-SCZZXKLOSA-N 253.254 -0.023 10 10 CBCE Cn1nnc(C(=O)NCCc2ccc(O)c(O)c2)n1 1631510658 VCEXCPSDMOIAMC-UHFFFAOYSA-N 263.257 -0.406 10 10 CBCE CN1CCNC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1971623217 LSXMRVSMRNYLKL-NSHDSACASA-N 279.340 -0.340 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1(CO)COC1 2068967085 WQFGTXKFSOPTCU-UHFFFAOYSA-N 253.254 -0.482 10 10 CBCE CCn1nnc([C@@H](NCCCN=[N+]=[N-])C(N)=O)n1 2077195607 OVYFCAWLEZNSGT-LURJTMIESA-N 253.270 -0.491 10 10 CBCE Nc1ccc(NC(=O)CN2C(=O)CCS2(=O)=O)cc1 2089670010 FOTZYIVKNBKPGZ-UHFFFAOYSA-N 283.309 -0.231 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](CO)[C@@H](O)C1 2132348412 LBVNOSCCPOWQLL-XVKPBYJWSA-N 269.253 -0.771 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC1(CO)CNC1 2137086630 WQQDRZHUDLESDJ-UHFFFAOYSA-N 266.297 -0.662 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H](N)CCC(N)=O 2141230150 ZEEDWZLRCVMIBR-JTQLQIEISA-N 265.313 -0.057 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)CC23CNC3)cc1 2191631789 QVDPSNISPVZLKR-LBPRGKRZSA-N 297.380 -0.493 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](N)[C@@H](CO)C2)cc1 2191637456 IMCXUMIJGIYXTM-DGCLKSJQSA-N 299.396 -0.260 10 10 CBCE NC(=O)C1[C@H]2CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@H]12 2201310973 KPORANXNCINUKT-QWRGUYRKSA-N 295.364 -0.238 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(CN)c1 2227681246 AVXWAFWAOXVEHA-FRRDWIJNSA-N 268.313 -0.943 10 10 CBCE CN(C)C(=O)CN(CC(N)=O)Cc1ccc(N)cc1 35366604 SNPOLTYFGYEEET-UHFFFAOYSA-N 264.329 -0.356 10 10 CBCE COc1ccc(N2CC(=O)N[C@H](CN)C2)c(OC)c1 217136162 VVMJNHDJWZRHNS-SECBINFHSA-N 265.313 -0.033 10 10 CBCE NC(=O)[C@]1(O)CCN(C(=O)c2cccc(O)c2O)C1 311854614 PJXZZDRMJARJFV-LBPRGKRZSA-N 266.253 -0.840 10 10 CBCE COC(=O)C[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 381674676 IIUVEULMXDDSNF-SSDOTTSWSA-N 283.236 -0.156 10 10 CBCE CN1CC[C@H]1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 712548094 NHRLNZUJJSUYGD-QWRGUYRKSA-N 279.340 -0.212 10 10 CBCE COc1ccc(CNCCNS(N)(=O)=O)cc1C 1964065192 APMAWWBTOPQWQS-UHFFFAOYSA-N 273.358 -0.114 10 10 CBCE NS(=O)(=O)NCCCNCc1ccc(O)cc1O 2039802131 UBDHZPNXSDRBCL-UHFFFAOYSA-N 275.330 -0.629 10 10 CBCE O=C1NC[C@@H](CNC(=O)c2cc(O)nc(O)c2)O1 2066428083 HKVTZEGEIWNQIH-ZCFIWIBFSA-N 253.214 -0.669 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2CCC3(CNC3)O2)C1 2084590661 LTPBVQZLDJEDAS-FXPVBKGRSA-N 252.314 -0.227 10 10 CBCE C[C@@H](CS(N)(=O)=O)NC(=O)Cc1ccc(O)c(O)c1 2096641320 DSOXCGXDOICYIO-ZETCQYMHSA-N 288.325 -0.567 10 10 CBCE Cc1ccc(O)c(CN2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)c1 2136097625 XUPBCTLPPUHKRB-SDDRHHMPSA-N 267.281 -0.309 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@]2(CO)CCCNC2)cc1 2191619479 BHRCPGUMDCSSKW-ZDUSSCGKSA-N 299.396 -0.197 10 10 CBCE CC1(C)[C@H](O)C[C@]1(CO)NC(=O)c1cc(O)nc(O)c1 2193982563 DPXABGDXHXYOSX-AMIZOPFISA-N 282.296 -0.256 10 10 CBCE CN(CC(=O)O)c1ccc2c(c1)CC(=O)N2CCC(N)=O 259417508 JLLAGRHBQWEGFS-UHFFFAOYSA-N 291.307 -0.028 10 10 CBCE COC[C@@](C)(O)CNC(=O)c1cc(O)nc(O)c1 382567647 OPVFFNLBTKCQHH-NSHDSACASA-N 256.258 -0.380 10 10 CBCE NC(=O)[C@@H]1CN(Cc2ccc(N)cc2)C[C@H]1C(N)=O 693428006 FIFBHLOPXOHSBZ-GHMZBOCLSA-N 262.313 -0.713 10 10 CBCE CS(=O)(=O)NC1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 703158523 QYGDAMDUXOJKAP-LLVKDONJSA-N 296.352 -0.624 10 10 CBCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)CO 1179689052 AUGBMLSCKOJXEW-HDMKULJXSA-N 253.254 -0.420 10 10 CBCE COc1ccc(N2CCOC[C@]2(CN)CO)c(N)c1 1876260500 PQINWHJKCJIKRJ-ZDUSSCGKSA-N 267.329 -0.196 10 10 CBCE COc1cc([C@H](O)C2(C(=O)O)CNC2)cc(O)c1O 1951649613 SLGPQNGNCFIFSY-JTQLQIEISA-N 269.253 -0.186 10 10 CBCE Cc1nc(CCNC(=O)c2cc(O)nc(O)c2)n[nH]1 2089213013 GQTWYRJBURILFY-UHFFFAOYSA-N 263.257 -0.108 10 10 CBCE O=C(NC[C@H]1COCCN1)c1cc(O)c(O)c(O)c1 2132399158 CRNGMEABXAOWPY-QMMMGPOBSA-N 268.269 -0.478 10 10 CBCE NC[C@@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2132410357 MLGYTRBWJKBLMT-MRVPVSSYSA-N 268.269 -0.397 10 10 CBCE N[C@@H]1CCOC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2132419865 XHELXPJKMQOWPM-HTQZYQBOSA-N 268.269 -0.351 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@@H]3CO)ccc21 2136339847 MXHQAZNGNXEFLP-ZOBORPQBSA-N 264.325 -0.465 10 10 CBCE Cc1cccc(CNC(=O)[C@@H](N)CCC(N)=O)c1O 2141230052 XRVBMXPECUQNIS-JTQLQIEISA-N 265.313 -0.090 10 10 CBCE COc1ccc(N2C[C@@H](CO)[C@@H](O)C2)c(CO)c1 2220426572 FRZYZXFZFFUGSV-GWCFXTLKSA-N 253.298 -0.023 10 10 CBCE Nc1ccc(NC(=O)NC[C@@H]2NC[C@@H](O)[C@@H]2O)cc1 2225621863 GJZNABVPALUGMO-HBNTYKKESA-N 266.301 -0.916 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c1 2308772472 CKJUBMVWXYLHPY-LOHPEHISSA-N 250.298 -0.100 10 10 CBCE C[C@@H](N)CC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486862 AWXUSWPGICMKDU-VXNVDRBHSA-N 282.296 -0.053 10 10 CBCE CN(C)CCNC(=O)[C@H](N)c1ccc(O)cc1O 83395659 RNNSGPXRDCUICD-LLVKDONJSA-N 253.302 -0.225 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](c2nn[nH]n2)C1 720630137 ZLIFTLUVSGAWHK-ZCFIWIBFSA-N 276.256 -0.364 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)[C@@H](CO)C1 1451598227 DWOSOALVAFQLLT-MNOVXSKESA-N 281.308 -0.158 10 10 CBCE CN(C[C@@H](O)CN)c1cc2c(cc1N)NC(=O)CC2 1876302140 FDLXVUFUXYCSMN-VIFPVBQESA-N 264.329 -0.091 10 10 CBCE COc1cccc(O)c1CNCCOCC(N)=O 2042568731 HOBALWAGEAQQMN-UHFFFAOYSA-N 254.286 -0.008 10 10 CBCE Nc1ccc(OCC(=O)NC2(CO)CNC2)cc1 2071687113 QILWQFBNKFBHBX-UHFFFAOYSA-N 251.286 -0.902 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2C[C@@H]2CO)cc1 2101298163 JKLIPEOMMXJFJZ-BXKDBHETSA-N 286.353 -0.052 10 10 CBCE O=C(N[C@H]1CNCC[C@H]1CO)c1cc(O)nc(O)c1 2116271479 XKMLSSHDAFLOEI-CBAPKCEASA-N 267.285 -0.807 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(F)c1 2127250504 JAPVSYFVIFAIAW-NEPJUHHUSA-N 268.288 -0.405 10 10 CBCE O=C(NCC1(C(=O)O)COC1)c1cccc(O)c1O 2131341681 WMHWDTCPZUXCJZ-UHFFFAOYSA-N 267.237 -0.071 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](N2CC(O)C2)C1 2158749587 VRMBVDLKNVJCBK-VIFPVBQESA-N 279.296 -0.616 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@@]1(CO)CCNC1 2159949202 ZRBAQTMOVMOVPL-AWEZNQCLSA-N 280.324 -0.272 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2160716179 LFTFKCFBIAYEER-DWVUBDKYSA-N 278.308 -0.400 10 10 CBCE NCc1cc(F)c(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(F)c1 2183626079 FJXFIHYIAJGFPP-PWSUYJOCSA-N 286.278 -0.266 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCCC1(CO)CO 2188868385 QIZMGCIPZYOWJA-UHFFFAOYSA-N 283.280 -0.237 10 10 CBCE NC(=S)[C@H]1COCCN1C(=O)c1cc(O)c(O)c(O)c1 2188915541 JBBMLJGOUGLVSL-SSDOTTSWSA-N 298.320 -0.070 10 10 CBCE COc1ccc(N2CC[C@@](O)(C(N)=O)C2)c(CO)c1 2227709536 VJPJNDKXKJHLHG-ZDUSSCGKSA-N 266.297 -0.386 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@H]1[C@@H](O)CO 2258345631 LHHDLYYQFWIBIY-KCJUWKMLSA-N 253.254 -0.335 10 10 CBCE NCCN1CCN(C(=O)c2ccc(O)c(O)c2)CC1 236221134 SYOCAFVGRJFXQO-UHFFFAOYSA-N 265.313 -0.186 10 10 CBCE COc1ccc(O)c(CN[C@H]2CN(C)NC2=O)c1 393908025 ROUQLUKUQJGKTH-JTQLQIEISA-N 251.286 -0.164 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CCOC[C@H](O)C3)cc21 399846672 FLYZDYJKVKDSDP-ZWNOBZJWSA-N 277.324 -0.140 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 693463123 QBEUXAHSAUFXJZ-FXAINCCUSA-N 277.324 -0.237 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCNC2)cc1 1876406771 SMFWKPHCPHJIGS-LLVKDONJSA-N 285.369 -0.071 10 10 CBCE NC(=O)C1(NC(=O)CCc2ccc(N)cc2)CNC1 1876515969 UDTZICHOJKANCM-UHFFFAOYSA-N 262.313 -0.855 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@@H](O)C1)NC(=O)CO2 2191595647 OMKLTEIJAMYFGL-MRVPVSSYSA-N 278.312 -0.630 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1ccccc1O 2311661053 HCEDROGFGNFUHL-GMTAPVOTSA-N 253.254 -0.617 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC([C@@H](O)CO)C1 2336770556 BVDOVQMLPXCWCU-JTQLQIEISA-N 269.253 -0.771 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCOCC1 40457743 PHLNGMFQHGCCRB-JTQLQIEISA-N 266.297 -0.174 10 10 CBCE COC[C@H](O)CN(C)C[C@H](O)COc1ccc(N)cc1 42483222 IITMFGYVBYUYKY-OLZOCXBDSA-N 284.356 -0.052 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCc2ccccc2)C1=O 169995650 DSCUYXKPRPWFCD-JTQLQIEISA-N 261.281 -0.188 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1C(=O)c1ccc(O)c(O)c1 235678484 PVJFNWJXJMQGNG-ZCFIWIBFSA-N 264.237 -0.415 10 10 CBCE C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cc(O)nc(O)c1 393325211 KSZFZULFBVJLPK-HTRCEHHLSA-N 265.269 -0.110 10 10 CBCE O=C(CN1C[C@@H](O)C[C@@H]1CO)c1ccc(O)c(O)c1 703885708 PHAWDVSLJXZFTA-ZJUUUORDSA-N 267.281 -0.292 10 10 CBCE O=C(N[C@@H]1COCC[C@@H]1O)c1cccc(O)c1O 710866011 KXLWLBRLPFRSPB-BDAKNGLRSA-N 253.254 -0.023 10 10 CBCE COC(=O)[C@](C)(CO)NC(=O)Cc1ccc(O)c(O)c1 1570233211 OQCVYOWHELXKQY-ZDUSSCGKSA-N 283.280 -0.320 10 10 CBCE O=C(CN1CCOCC1=O)NCc1c(O)cccc1O 1635847900 WCLWNGLHRQDAGB-UHFFFAOYSA-N 280.280 -0.427 10 10 CBCE CN1C(=O)CN(CC(=O)NCc2c(O)cccc2O)C1=O 1647290235 PXRUTWJDRAWMEF-UHFFFAOYSA-N 293.279 -0.392 10 10 CBCE COC[C@](C)(CO)CNC(=O)c1cc(O)nc(O)c1 1926957964 VQBVTCBUKTXWMA-LBPRGKRZSA-N 270.285 -0.132 10 10 CBCE CO[C@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)C[C@H]1OC 2052414338 BQCLTEKOHAOFBP-DIYOJNKTSA-N 257.294 -0.066 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2080924672 DDBKKXYPTIYLKP-WOPDTQHZSA-N 273.716 -0.265 10 10 CBCE C[C@@H](CC(N)=O)N(CC(N)=O)Cc1ccc(N)cc1 2094843930 VVIFTSDVVOULCX-VIFPVBQESA-N 264.329 -0.180 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2cc(F)ccc2O)C[C@@H]1O 2197473615 NIQGNNFNOLJHBO-AAEUAGOBSA-N 285.271 -0.086 10 10 CBCE C[C@H](CO)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2279170193 AJRAQQMHGOWHIS-VXNVDRBHSA-N 283.280 -0.162 10 10 CBCE CN(Nc1nc(C(N)=O)cs1)S(=O)(=O)C1CC1 2301547143 ATXKKHVXERGEBR-UHFFFAOYSA-N 276.343 -0.007 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1CO 2311701668 HXBTWWPGYIHELZ-UPJWGTAASA-N 253.298 -0.610 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2311715172 PTRUHHNAZRIZEB-UTUOFQBUSA-N 256.277 -0.813 10 10 CBCE COC(=O)C1(O)CN(CC(=O)Nc2ccc(N)cc2)C1 714515887 YDFZWQPFPIRBGX-UHFFFAOYSA-N 279.296 -0.573 10 10 CBCE CS(=O)(=O)CC(=O)NCc1ccc(O)cc1O 1469159689 LTRJKVFTTZIWDF-UHFFFAOYSA-N 259.283 -0.241 10 10 CBCE N[C@H](c1ccc(N2CCOCC2)cc1)[C@@H](O)C(=O)O 1952101543 ACVZBSIUFRHXEV-VXGBXAGGSA-N 266.297 -0.032 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H]3C(N)=O)cc21 2089365557 LPFMVEPEGPOKOT-GXSJLCMTSA-N 260.297 -0.273 10 10 CBCE O=C(N[C@H]1CCOC[C@H]1O)c1cc(O)c(O)c(O)c1 2132350164 LHZABFDLZADBBD-OIBJUYFYSA-N 269.253 -0.317 10 10 CBCE COC1(CCNC(=O)c2cc(O)c(O)c(O)c2)CNC1 2188925619 XDSZRZUIVCDAJN-UHFFFAOYSA-N 282.296 -0.088 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2cc(F)ccc2O)C[C@H]1O 2197473618 NIQGNNFNOLJHBO-YPMHNXCESA-N 285.271 -0.086 10 10 CBCE COc1cc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1CN 2204557391 PAKKGCMLFXZEEW-GHMZBOCLSA-N 275.308 -0.137 10 10 CBCE O=C(NCC(F)(F)C1(O)CNC1)c1cc(O)nc(O)c1 2288520194 IKGIDHZOKBYHID-UHFFFAOYSA-N 289.238 -0.808 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1 2329329046 QTAQWLFZDVWXKQ-DTCNJJKHSA-N 262.309 -0.236 10 10 CBCE CN1CC[C@H](N(CC(N)=O)Cc2ccc(N)cc2)C1=O 71184290 IDIICCHCKRWLJK-LBPRGKRZSA-N 276.340 -0.213 10 10 CBCE COc1ccc(CNC(=O)C[C@@H](N)C(=O)O)c(O)c1 83496843 OEFZHYCCUGKGON-SECBINFHSA-N 268.269 -0.181 10 10 CBCE N[C@]1(C(=O)O)CCN(C(=O)c2ccc(O)c(O)c2)C1 236319897 JXYBMLFIGRQZLH-GFCCVEGCSA-N 266.253 -0.274 10 10 CBCE CN1C[C@@H](NC(=O)COc2ccc(N)cc2)CC1=O 311681590 JGGLNJDRNOHVAX-JTQLQIEISA-N 263.297 -0.006 10 10 CBCE O=C1C[C@H](CNC(=O)c2ccc(O)c(O)c2)CN1 398314086 UTKVXSMUJPOIKQ-ZETCQYMHSA-N 250.254 -0.036 10 10 CBCE CNC(=O)CCS(=O)(=O)CC(=O)Nc1ccc(N)cc1 399182220 DGFDWZFGPPDSMZ-UHFFFAOYSA-N 299.352 -0.242 10 10 CBCE NC(=O)CC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865875889 KVVGNEMVEWRZLC-ZCFIWIBFSA-N 298.251 -0.748 10 10 CBCE Nc1cc(O)ccc1NS(=O)(=O)N1CC(O)C1 1914170490 VZZBWTIFEMCEET-UHFFFAOYSA-N 259.287 -0.692 10 10 CBCE N[C@@H]1COC[C@H]1CNC(=O)c1cccc(O)c1O 2036569445 VBFAYLCBOKEIDC-VXNVDRBHSA-N 252.270 -0.199 10 10 CBCE C[C@@H](ONC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2068579517 XXAAJUDFZVYZNJ-SCSAIBSYSA-N 257.198 -0.062 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCS(=O)(=O)CCN1 2090493509 UVYNPFJLNJFATL-UHFFFAOYSA-N 286.309 -0.527 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CNC(=O)O1 2129934085 DTULIZPFRCGORR-QMMMGPOBSA-N 266.253 -0.135 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1COC[C@H]1O 2132349039 XLQVCAWJGLODOU-OIBJUYFYSA-N 269.253 -0.365 10 10 CBCE O=C(N[C@@H]1C(=O)NC[C@@H]1C(=O)O)c1cccc(O)c1O 2144415706 LJMGAGZOUBIFGV-XPUUQOCRSA-N 280.236 -0.973 10 10 CBCE CNC(=O)[C@@H]1CNCCN1Cc1c(O)cccc1OC 2160723443 KFTVQIYANRSLPS-NSHDSACASA-N 279.340 -0.079 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NC(=O)CCc1ccc(N)cc1 2174100208 JSPZRJZJYZAFDL-DGCLKSJQSA-N 277.324 -0.040 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188911729 FEPNOLJZOXRQDL-LDWIPMOCSA-N 282.252 -0.824 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(F)c1 2289487289 FFWDZHMUMGIJNF-UMGHXEBTSA-N 284.331 -0.004 10 10 CBCE C[C@@H](N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1c(O)cccc1O 2355673524 FRMKCYHMSNLRCA-QAITXUKRSA-N 283.324 -0.149 10 10 CBCE C[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C[C@@H]1O 2357528150 VBFUMAUOZGLLID-OUCADQQQSA-N 277.324 -0.040 10 10 CBCE CNCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486850 GCSMKUUAXJAVKQ-MRVPVSSYSA-N 268.269 -0.571 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc(/C=C/C(=O)O)cc1 61808358 KPKILWQRVZMGQR-ZZXKWVIFSA-N 277.280 -0.439 10 10 CBCE C[C@@H]1C(=O)NC(=O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 252673143 GRZMMYHINYONGK-KBUNVGBDSA-N 274.280 -0.510 10 10 CBCE CNS(=O)(=O)NCC(=O)N1Cc2cccc(O)c2C1 871205198 RCXDMPRNWJPCKA-UHFFFAOYSA-N 285.325 -0.712 10 10 CBCE COc1cccc(O)c1CN[C@@H]1CS(=O)(=O)C[C@H]1O 895687238 QSNZETJNWQWBFU-MWLCHTKSSA-N 287.337 -0.352 10 10 CBCE O=C(NCc1cc(O)ccc1O)[C@@]1(O)CCOC1 1643882254 REUAYBXTCHODDM-GFCCVEGCSA-N 253.254 -0.135 10 10 CBCE CN(CCN=[N+]=[N-])CCS(=O)(=O)CCC(N)=O 1912143071 AJTCGYUGCZXICT-UHFFFAOYSA-N 263.323 -0.481 10 10 CBCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)C2CS(=O)(=O)C2)C1 1912190897 KWOHXIWZCHXMCA-ZETCQYMHSA-N 294.358 -0.112 10 10 CBCE Nc1ccc(O)c(CNS(=O)(=O)N2CC[C@@H](O)C2)c1 1914170437 VKHLENXJZCZDHK-SNVBAGLBSA-N 287.341 -0.625 10 10 CBCE CNCCN(C)S(=O)(=O)NCc1ccccc1O 2042215058 JXXHADNPXVBCIX-UHFFFAOYSA-N 273.358 -0.122 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1 2273786811 KAZUZCMYPZJKNG-FPMFFAJLSA-N 266.341 -0.444 10 10 CBCE NC(=O)[C@H]1COCCN1CCOc1ccc(N)cc1 129343348 CEOLOJAJWFAISX-GFCCVEGCSA-N 265.313 -0.166 10 10 CBCE NC(=O)C[C@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 158129225 SQCUINFSYZHQSY-JTQLQIEISA-N 279.296 -0.354 10 10 CBCE C[C@@H]1CCCN(C(=O)C[C@H]2C(=O)NN(C)C2=O)C1 169995929 DRKAMOYECOEAKU-BDAKNGLRSA-N 253.302 -0.246 10 10 CBCE CCN[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](O)C3)ccc21 233607168 JBTZITKLKTVLAZ-AVGNSLFASA-N 277.324 -0.169 10 10 CBCE COC(=O)Cn1nnnc1-c1ccc(O)c(O)c1 259923225 WVNAEFJZEBTYDB-UHFFFAOYSA-N 250.214 -0.076 10 10 CBCE Nc1ccc(OCC(=O)N2CCOC[C@H](O)C2)cc1 399976685 LLUPNXHIZOTZRE-LLVKDONJSA-N 266.297 -0.133 10 10 CBCE CN1C(=O)CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1557117264 QCDLMSFMJMSCNQ-VIFPVBQESA-N 292.291 -0.096 10 10 CBCE C[C@]1(NC(=O)CN2CC(N=[N+]=[N-])C2)CCS(=O)(=O)C1 1912159557 JEXSXDNRAITSDH-JTQLQIEISA-N 287.345 -0.326 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 1912173152 ZGJFXNRXDCKUJQ-QMMMGPOBSA-N 261.307 -0.052 10 10 CBCE CC1(C)NC(=O)N(CC(=O)N2CC(N=[N+]=[N-])C2)C1=O 1912183189 MHAAZQRALOKMSS-UHFFFAOYSA-N 266.261 -0.162 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@]2(CO)C1 2029640344 ZYDKZYWATQBJDX-PRHODGIISA-N 250.254 -0.053 10 10 CBCE NS(=O)(=O)NCCCNCc1ccc(O)c(O)c1 2039802248 VLQYGIKQHUZITK-UHFFFAOYSA-N 275.330 -0.629 10 10 CBCE CO[C@@H]1CNC[C@H]1NC(=O)c1cccc(O)c1O 2058674577 AKLZPIIPMFOLOX-PSASIEDQSA-N 252.270 -0.186 10 10 CBCE CN(C)C[C@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2132417310 CFJXFZSBIUXGCD-MRVPVSSYSA-N 269.301 -0.578 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2136340957 JQGUZPVEZNHNMI-MELADBBJSA-N 266.341 -0.400 10 10 CBCE O=C(N[C@H](C(=O)O)[C@H]1CCOC1)c1cc(O)nc(O)c1 2149323932 AEIVZFFOHKLFTO-WKEGUHRASA-N 282.252 -0.288 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)[C@@H]4COC[C@@H]43)ccc2[C@@H]1O 2158390921 AAPSRHAFXHFAHT-IXOXFDKPSA-N 276.292 -0.132 10 10 CBCE O=C(CN1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O)c1ccc(O)c(O)c1 2160688813 GHLUFRWNJBHGSE-OBPYKSBLSA-N 279.292 -0.294 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)[C@@H]1CC(=O)NC1=O 2171191654 BCULYKBRFSAUIY-KOLCDFICSA-N 275.264 -0.477 10 10 CBCE O=C(CN1C[C@H](O)[C@H](O)[C@@H]1CF)c1ccc(O)c(O)c1 2205617702 ITIFSSBULINCOK-AQUOVQTQSA-N 285.271 -0.344 10 10 CBCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(=O)O)C1 2225792089 JYCKIDDXMLCACY-RNFRBKRXSA-N 288.285 -0.747 10 10 CBCE NC(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 236281344 SSWVOBOYLOHTLF-JTQLQIEISA-N 283.353 -0.094 10 10 CBCE CC(=O)C(=O)COC(=O)CCN1C(=O)NC(C)(C)C1=O 808497352 YGJMYYJBEXOJMA-UHFFFAOYSA-N 284.268 -0.592 10 10 CBCE C[C@H](NC(=O)[C@H]1CNCCS1(=O)=O)c1ccccc1O 1122191132 KHDVFRGZTOJPNO-JOYOIKCWSA-N 298.364 -0.044 10 10 CBCE O=C(O)[C@H](NCc1ccccc1O)C1CS(=O)(=O)C1 1890954881 IAWWVEZEUZZOSN-LLVKDONJSA-N 285.321 -0.020 10 10 CBCE CN1C[C@](NCCCN=[N+]=[N-])(C(N)=O)CCC1=O 2068225073 YKJVCNIFNHFUPY-JTQLQIEISA-N 254.294 -0.247 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](CO)C[C@H]1CO 2089869609 FFMQTZBBHPOUSW-SCZZXKLOSA-N 267.281 -0.087 10 10 CBCE NC(=O)COC1CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2145384803 FNQPQVVVPPEONQ-UHFFFAOYSA-N 281.268 -0.222 10 10 CBCE Nc1ccc(O)c(CN2CCN(C[C@H](O)CO)CC2)c1 2178037789 OIULFMUMMXYLCB-ZDUSSCGKSA-N 281.356 -0.555 10 10 CBCE O=C(N[C@@H](C(=O)O)C1COC1)c1cc(O)c(O)c(O)c1 2188868333 PMDSWFMXLVXDAH-SECBINFHSA-N 283.236 -0.367 10 10 CBCE CN1CCN(C(=O)COc2ccc(N)cc2)[C@H](CN)C1 2191678641 JVTVQHJKQHZQLY-GFCCVEGCSA-N 278.356 -0.251 10 10 CBCE C[C@H](CNC(=O)c1cc(O)nc(O)c1)N1CCNCC1 2192454149 WRKWCHQVORFVKZ-SECBINFHSA-N 280.328 -0.484 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2ccc(O)cc2O)C[C@H]1O 2197473435 MHYPHJDCJCOMNN-YPMHNXCESA-N 283.280 -0.520 10 10 CBCE [N-]=[N+]=NCCCNC1(C(N)=O)C[C@H]2COC[C@@H](C1)N2 2270267160 JWAMLKYTDHHNTM-SLHIUPAKSA-N 268.321 -0.349 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(F)c1 2273782474 UCNFIFXYZPZCDV-XDTLVQLUSA-N 270.304 -0.565 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(CN)c1 2289404212 LTUITHKAUXAGMH-LEWSCRJBSA-N 282.340 -0.696 10 10 CBCE C[C@H]1O[C@@H](Oc2ccc(N)cc2)[C@H](O)[C@@H](O)[C@H]1O 2545108 CITVZWPAGDTXQI-BVWHHUJWSA-N 255.270 -0.525 10 10 CBCE CNC(=O)CN(C)CC(=O)c1ccc(O)c(O)c1 49934153 SLFSPAGBFVQMAT-UHFFFAOYSA-N 252.270 -0.042 10 10 CBCE COCCNS(=O)(=O)Nc1ccc(O)cc1N 234723432 KJGCNLYRHNFYJI-UHFFFAOYSA-N 261.303 -0.133 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](CO)[C@@H](O)C2)cc1 317705249 SNWZCRXNIXHUIU-SUHUHFCYSA-N 282.340 -0.707 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@H](CO)C3)ccc21 396795418 DRPNEHDSFCKRHV-CKLFPEKLSA-N 277.324 -0.182 10 10 CBCE CN(Cc1nnnn1C)C(=O)Cc1ccc(N)cc1 707411896 QDOZADWSWDVTNB-UHFFFAOYSA-N 260.301 -0.007 10 10 CBCE NC[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCO1 1876532288 ZPVGVHIHYRDQNT-GFCCVEGCSA-N 285.369 -0.242 10 10 CBCE C[C@@]1(NC(=O)CN2CC(N=[N+]=[N-])C2)CCS(=O)(=O)C1 1912159558 JEXSXDNRAITSDH-SNVBAGLBSA-N 287.345 -0.326 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC(CO)CO 2059212848 QIURGQIIYJSYLX-UHFFFAOYSA-N 255.270 -0.643 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC(OCCO)C2)cc1 2095969109 VZINDZJJNPBZCK-UHFFFAOYSA-N 286.353 -0.208 10 10 CBCE Cc1cccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1O 2121473961 KIMJZRNIQLRWFM-OXHZDVMGSA-N 267.325 -0.107 10 10 CBCE Cc1cccc(CNC(=O)[C@@H](F)C2(O)CNC2)c1O 2139744506 YDGNTBZTDNTSAC-LLVKDONJSA-N 268.288 -0.011 10 10 CBCE Cc1cc(CN)ccc1N1C[C@@H]2NC(=O)C(=O)N[C@H]2C1 2166790744 KCBOFRXIKXJYNW-QWRGUYRKSA-N 274.324 -0.743 10 10 CBCE CCN(C(=O)c1ccc(O)c(O)c1)[C@H]1CC(=O)NC1=O 2171193759 WWFKJBHJGBYILD-QMMMGPOBSA-N 278.264 -0.025 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)[C@H]1CC(=O)NC1=O 2171194882 FGMMQLANRJTILT-JTQLQIEISA-N 276.296 -0.446 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](CO)C[C@@H]1CO 2188868591 UEJGPGVVYNIAEE-IONNQARKSA-N 283.280 -0.381 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(OC)cc1N 2225692773 BJTMPNRMCAPJBZ-JHJVBQTASA-N 268.313 -0.166 10 10 CBCE COc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(CN)c1 2235974608 YSAKKMXMXLFUEN-UONOGXRCSA-N 282.340 -0.288 10 10 CBCE CS(=O)(=O)NCCNC(=O)CCc1ccc(N)cc1 37991148 UBTGAFRKSJAIOQ-UHFFFAOYSA-N 285.369 -0.133 10 10 CBCE NC[C@H]1CNCCN1C(=O)c1cccc(O)c1O 125950360 AZLFTHQNHHPNIR-QMMMGPOBSA-N 251.286 -0.530 10 10 CBCE O=C(NC[C@@H]1CNCCO1)c1ccc(O)c(O)c1 236562895 ARPFGEUCPCZBFL-VIFPVBQESA-N 252.270 -0.184 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)[C@@H](CO)C1 317498051 SOIPWVGTWGZXHT-ICCXJUOJSA-N 277.324 -0.296 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCC[C@@H]1O 323235941 VFBVEMSAFSHIEM-AXFHLTTASA-N 280.324 -0.003 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCOC[C@@H](O)C3)cc21 399846664 FLYZDYJKVKDSDP-GWCFXTLKSA-N 277.324 -0.140 10 10 CBCE O=C(c1cccc(O)c1O)N1CC2(C[C@H](O)CNC2=O)C1 1455687899 PGIATGUVFMNSNU-QMMMGPOBSA-N 292.291 -0.579 10 10 CBCE NOCCCS(=O)(=O)NCCc1ccc(O)c(O)c1 2091746718 GOCLQABZNKFCSR-UHFFFAOYSA-N 290.341 -0.160 10 10 CBCE Cn1cc(C(=O)N2CC(N=[N+]=[N-])C2)c(=O)n(C)c1=O 2104664529 YCLPASGRLAIVDG-UHFFFAOYSA-N 264.245 -0.781 10 10 CBCE C[C@H]1CNC(=O)CN1C[C@H](O)COc1ccc(N)cc1 2181170863 GVHWOPTYAAKMCY-JQWIXIFHSA-N 279.340 -0.171 10 10 CBCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)c(F)c1 2184131111 JGHMHCWCHMDSKP-HQJQHLMTSA-N 281.287 -0.331 10 10 CBCE CC[C@@H](O)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2184140185 YNOITDPOBZFIDN-VXGBXAGGSA-N 277.324 -0.080 10 10 CBCE CC[C@@H](N)c1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2184141524 QWBDUUMHKFMQPD-VXGBXAGGSA-N 276.340 -0.114 10 10 CBCE NC[C@@H]1CO[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188908190 AOTBJFOUNKXPBQ-APPZFPTMSA-N 282.296 -0.103 10 10 CBCE COc1cc(N2CCN(CCO)C(=O)C2)ccc1CO 2204547281 IWDPRHFKPODBOU-UHFFFAOYSA-N 280.324 -0.172 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@@H](O)[C@H]2CF)ccc1CO 2205592496 XDNFAEOTGMWDFP-WOPDTQHZSA-N 286.259 -0.033 10 10 CBCE N=c1nnc(OC[C@]23CCC[C@@]2(F)CNC3)n[nH]1 2219012343 GHXKNUKFYTYTOU-NXEZZACHSA-N 254.269 -0.460 10 10 CBCE COc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(CN)c1 2235964323 SEDSHKXPBUSWOQ-KBPBESRZSA-N 282.340 -0.552 10 10 CBCE O=C1COc2cc([N+](=O)[O-])c(N(CCO)CCO)cc2N1 40764622 ANHHQIGPOFOLPD-UHFFFAOYSA-N 297.267 -0.283 10 10 CBCE N[C@H](CC(=O)NCc1ccc(O)cc1O)C(=O)O 83397853 DNOCTRHWYANRPX-MRVPVSSYSA-N 254.242 -0.484 10 10 CBCE COc1ccc(O)c(CNC(=O)[C@@H](O)CCN)c1 83398243 JEVCYQJXCOQPQQ-NSHDSACASA-N 254.286 -0.273 10 10 CBCE O=S(=O)(O)CCNCc1ccc(O)c(O)c1O 83458280 XIOJMEYLVRIAGS-UHFFFAOYSA-N 263.271 -0.219 10 10 CBCE CNC[C@@H](O)CN(C)C(=O)c1cc(O)nc(O)c1 708836628 JYGWGRCYTJVHNS-MRVPVSSYSA-N 255.274 -0.855 10 10 CBCE COC(=O)C1(O)CN(c2ccc([N+](=O)[O-])c(CO)c2)C1 714491649 UXFNAOSSWJPYHG-UHFFFAOYSA-N 282.252 -0.189 10 10 CBCE CC(C)(O)[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1 1445937968 LFZNRBHSZJVWNH-NSHDSACASA-N 269.297 -0.112 10 10 CBCE NC(=O)Cn1cc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1543028461 SNZNOUVRLXCSGV-UHFFFAOYSA-N 290.279 -0.039 10 10 CBCE COCCNCc1ccc(N2CC(O)(C(N)=O)C2)cc1 1915250651 SGOXEXUVAJDNSB-UHFFFAOYSA-N 279.340 -0.541 10 10 CBCE CO[C@@H](CO)CNC(=O)Cc1ccc(O)c(O)c1 1963421900 DJBICVQPLKBFLK-SECBINFHSA-N 255.270 -0.236 10 10 CBCE CN(CCN)S(=O)(=O)CCOc1ccc(N)cc1 2071569072 WQHDVCMHYOOKRT-UHFFFAOYSA-N 273.358 -0.132 10 10 CBCE OC[C@]1(NCc2ccc(O)c(O)c2O)C[C@@H](O)C1 2076628511 SDYMZAWMWHBNSO-LYWQIFSTSA-N 255.270 -0.221 10 10 CBCE NC(=O)[C@@H]1C[C@H](N)CN(Cc2ccc(O)c(O)c2)C1 2094661436 DSRNOLVJCCUVOF-ZJUUUORDSA-N 265.313 -0.268 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)cc1 2108824070 CQAKDAOECGKKMO-LMLFDSFASA-N 267.285 -0.755 10 10 CBCE C[C@H]1[C@H](O)CN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2126119603 MSQWDKZDHOIHPX-QOSJWCAFSA-N 266.297 -0.441 10 10 CBCE NC[C@H]1CNCCN1C(=O)c1cc(O)c(O)c(O)c1 2132418533 LBGBHLNALXIBBW-QMMMGPOBSA-N 267.285 -0.824 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccc(O)cc1O 2136097496 XBYWNGSHIUKGML-DCAQKATOSA-N 269.253 -0.912 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 2182527583 DKIHCIDWLUCJOD-IVQVNHIISA-N 279.292 -0.089 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2273671662 HQURSSJGXRLFSS-RETIQXCHSA-N 267.325 -0.110 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@H]3[C@H](O)CO)cc21 2286214236 OXLRJVOAZCKMPR-CYZMBNFOSA-N 277.324 -0.405 10 10 CBCE Nc1cc2c(cc1N1CC[C@@H]1[C@H](O)CO)NC(=O)CO2 2286231779 YTUQVKJVUGHWMC-MWLCHTKSSA-N 279.296 -0.468 10 10 CBCE Nc1ccc(OCCN2CC3(CNC(=O)CO3)C2)cc1 2289657356 SAYPXTXMGYUOBU-UHFFFAOYSA-N 277.324 -0.152 10 10 CBCE Cc1cccc(O)c1CN1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)O 2332872479 UPCOINPILUQOOD-IJLUTSLNSA-N 267.281 -0.309 10 10 CBCE CC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 40486851 SZSULUONVPYCSI-IUCAKERBSA-N 282.296 -0.053 10 10 CBCE COc1cccc(CNC(=O)[C@@H](N)CC(N)=O)c1O 83494611 JNPPKIAAYRGKPM-QMMMGPOBSA-N 267.285 -0.780 10 10 CBCE NC(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 236279256 SSWVOBOYLOHTLF-SNVBAGLBSA-N 283.353 -0.094 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN1 384847595 YXZJLAYEIWNFEW-IUCAKERBSA-N 280.280 -0.428 10 10 CBCE C[C@H](C(N)=O)N(C)c1ccc2c(c1)N(C)C(=O)[C@@H]2N 723192513 SLEIURPBAPVRHW-RDDDGLTNSA-N 262.313 -0.027 10 10 CBCE C[C@@H](NC(=O)[C@H]1CNCCS1(=O)=O)c1ccccc1O 1342404604 KHDVFRGZTOJPNO-BXKDBHETSA-N 298.364 -0.044 10 10 CBCE Cn1cnn(CCC(=O)NCc2cc(O)ccc2O)c1=O 1651225545 OCDJEUBJUKJDRZ-UHFFFAOYSA-N 292.295 -0.301 10 10 CBCE CS(=O)(=O)NCC(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912188267 NEJCUDFDXVIRHH-SSDOTTSWSA-N 261.307 -0.306 10 10 CBCE Cn1ncc(S(=O)(=O)N2CC[C@H](N=[N+]=[N-])C2)n1 1912206056 QZQBBGHKQSPAQT-LURJTMIESA-N 257.279 -0.112 10 10 CBCE COc1cc([C@@H](O)C2(C(=O)O)CNC2)cc(O)c1O 1951649616 SLGPQNGNCFIFSY-SNVBAGLBSA-N 269.253 -0.186 10 10 CBCE CN(CC(CO)CO)C(=O)c1cccc(O)c1O 2033019682 SIEIBWMKBLCISS-UHFFFAOYSA-N 255.270 -0.229 10 10 CBCE CCCS(=O)(=O)C[C@@](C)(NCCN=[N+]=[N-])C(N)=O 2051039283 XXFDCEHLYMPTEG-SECBINFHSA-N 277.350 -0.045 10 10 CBCE C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)S(C)(=O)=O 2132348926 VPDMSYHGJMLDQI-LURJTMIESA-N 289.309 -0.034 10 10 CBCE NC[C@H]1CO[C@H](CNC(=O)c2cc(O)c(O)c(O)c2)C1 2188908191 AOTBJFOUNKXPBQ-CBAPKCEASA-N 282.296 -0.103 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@H](O)C1)NC(=O)CO2 2191595648 OMKLTEIJAMYFGL-QMMMGPOBSA-N 278.312 -0.630 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2201032927 JZSIILVGGXPDIW-IHRRRGAJSA-N 284.331 -0.162 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1C[C@@H](O)C1 2329245507 YEWJZSDHPUXZAG-AEJSXWLSSA-N 266.297 -0.393 10 10 CBCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)C(=O)N(C)C 40461675 RXZXVQXVVDPTCD-WPRPVWTQSA-N 295.339 -0.440 10 10 CBCE CS(=O)(=O)[C@H]1CCC[C@]1(NCCN=[N+]=[N-])C(N)=O 90258231 ZDSIVZAUALXRBQ-IONNQARKSA-N 275.334 -0.293 10 10 CBCE NCc1ccc(N2CC[C@](O)(C(N)=O)C2)cc1F 311143664 LRZRVAPYGGGXQU-GFCCVEGCSA-N 253.277 -0.289 10 10 CBCE Cc1cc(N(C)C)ccc1CNC(=O)Cn1nnc(N)n1 1627689341 KMPWKPIUZZYQTN-UHFFFAOYSA-N 289.343 -0.054 10 10 CBCE COC(=O)C1(NC(=O)c2ccc(O)c(O)c2)CNC1 1913921221 FHTNHQCLLWUMCH-UHFFFAOYSA-N 266.253 -0.657 10 10 CBCE O=[N+]([O-])c1ccc([C@H]2CS(=O)(=O)NCCN2)c(O)c1 1952449702 TYRVQDPPPSCTKS-SECBINFHSA-N 287.297 -0.136 10 10 CBCE O=S1(=O)C[C@@H](NCc2ccc(F)cc2O)[C@@H](O)C1 2084167056 XGVGXMNFNUEWHB-KOLCDFICSA-N 275.301 -0.221 10 10 CBCE Cn1ncc(S(=O)(=O)NCc2cc(N)ccc2O)n1 2088143170 WBVBZFVYZBMUTB-UHFFFAOYSA-N 283.313 -0.419 10 10 CBCE O=C(N[C@]1(C(=O)O)CCCOC1)c1cc(O)nc(O)c1 2169562010 RDNWQQXXQCPXHH-GFCCVEGCSA-N 282.252 -0.144 10 10 CBCE CC1(C)C[C@@H](O)[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2188672059 GGGZXQHPCQDOEM-BDAKNGLRSA-N 282.296 -0.161 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](N)[C@@H]3COC[C@@H]32)cc1 2191531535 SQORZMXAQHPVOY-AVGNSLFASA-N 297.380 -0.244 10 10 CBCE O=C(O)[C@]1(O)CCN(Cc2c(O)cccc2F)C[C@H]1O 2197468011 ZHNHPYFRZNBGRH-YPMHNXCESA-N 285.271 -0.086 10 10 CBCE Cc1cc([C@H](C)O)ccc1N(CC(N)=O)CC(N)=O 2232096751 UHYSSUJXXUAUJD-VIFPVBQESA-N 265.313 -0.175 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)ccc1[C@@H](C)N 2269661269 DSYTVCNMNLXCNF-QQUHWDOBSA-N 266.341 -0.083 10 10 CBCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H]1CCNC1 62115795 IETJHCRAMKWAQR-VHSXEESVSA-N 294.307 -0.181 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2COC[C@@H]2O)cc1 323542488 NGSPPDYMTIDJOT-NEPJUHHUSA-N 266.297 -0.086 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 693463128 QBEUXAHSAUFXJZ-GGZOMVNGSA-N 277.324 -0.237 10 10 CBCE NCc1ccc(N2CCN(CC(N)=O)CC2)c(F)c1 700774598 QOYOGAULUAHUTB-UHFFFAOYSA-N 266.320 -0.108 10 10 CBCE N[C@H]1COCC[C@@H]1NC(=O)c1cccc(O)c1O 707049708 RRHDFXATPZGKTD-IUCAKERBSA-N 252.270 -0.056 10 10 CBCE NC(=O)[C@@H]1CCN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 723171038 KRTUQDFIZUYNFC-RDDDGLTNSA-N 260.297 -0.050 10 10 CBCE Cn1cnnc1[C@@H](CO)NC(=O)c1cccc(O)c1O 1167481003 FFCVLFNSYCMVFM-MRVPVSSYSA-N 278.268 -0.310 10 10 CBCE O=C(NCc1cccc(O)c1O)C(=O)NC1CC1 1521851007 CUPXPKVWRCIOEX-UHFFFAOYSA-N 250.254 -0.007 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC(N2CC[C@@H](O)C2)C1 1557359591 IIKXRHOXLDKVRG-GFCCVEGCSA-N 292.335 -0.082 10 10 CBCE CN1CC(=O)N(CC(=O)NCc2ccc(O)cc2O)C1=O 1626838298 VRYLGFZIVUWPOU-UHFFFAOYSA-N 293.279 -0.392 10 10 CBCE Cc1ccc(CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c(O)c1 1665359650 OPELKARCVAEBHL-PHIMTYICSA-N 277.324 -0.281 10 10 CBCE Nc1ccc(CN2CCOC[C@@H]2[C@H](O)CO)cc1 2029654092 JIELAXLDGGTCLH-CHWSQXEVSA-N 252.314 -0.177 10 10 CBCE COC[C@@H](NCc1ccc(OC)cc1O)C(N)=O 2034942092 WKIWQLIWXFXSLR-SNVBAGLBSA-N 254.286 -0.009 10 10 CBCE C[C@@H](NC(=O)[C@@H](N)CC(N)=O)c1ccccc1O 2072481454 HNXYIVGZHWRZMM-APPZFPTMSA-N 251.286 -0.228 10 10 CBCE O=C(N[C@@H]1C[C@@H](O)C[C@H]1O)c1cc(O)c(O)c(O)c1 2132349915 IMASTSMVGWYKNT-BWZBUEFSSA-N 269.253 -0.583 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]21 2136570245 HMMSLRCDCNNTDU-VROVMSAKSA-N 262.265 -0.099 10 10 CBCE CO[C@H]1COC[C@H]1N(CC(N)=O)Cc1ccc(N)cc1 2146756629 OKCYUELTNANTEG-OLZOCXBDSA-N 279.340 -0.030 10 10 CBCE NC1(C(=O)O)CC(NC(=O)Cc2ccc(O)c(O)c2)C1 2151215575 FADSIYVGTYRFDH-UHFFFAOYSA-N 280.280 -0.299 10 10 CBCE O=C(NCc1cc(C(=O)O)n[nH]1)c1cc(O)nc(O)c1 2158219106 YRJDNBKXYKJJJJ-UHFFFAOYSA-N 278.224 -0.156 10 10 CBCE COc1cccc(CN[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)c1O 2177945636 UMYMRZNPRGNAPS-XYHOJCAOSA-N 283.324 -0.407 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2CN(C)C(=O)CN2)c1O 2204609948 MFGCYXJJGDTRKA-NSHDSACASA-N 277.324 -0.253 10 10 CBCE CO[C@@H](CO)CNC(=O)c1cc(O)c(O)c(O)c1 2263522272 DNPFAECVZQCHKO-SSDOTTSWSA-N 257.242 -0.460 10 10 CBCE NC[C@H](CO)C(=O)N1CCc2cc(O)c(O)cc2C1 2341199497 UNYKZIVQLOIUGQ-SNVBAGLBSA-N 266.297 -0.450 10 10 CBCE COc1cc(N)c(N2CC[C@@](O)(C(N)=O)C2)cc1OC 383532525 BISOSBOXFYMZQK-ZDUSSCGKSA-N 281.312 -0.288 10 10 CBCE C[C@H](NCc1cc2c(cc1O)OCO2)[C@@H](O)CO 698995610 QXUMDGKLIAJGRK-XVKPBYJWSA-N 255.270 -0.048 10 10 CBCE COc1ccc(N2CCN(C(=O)[C@@H](N)CO)CC2)cc1 1866323525 GMPYAXDZBWCKJG-ZDUSSCGKSA-N 279.340 -0.337 10 10 CBCE C[C@H]([C@](C)(NCCCN=[N+]=[N-])C(N)=O)S(C)(=O)=O 2051100014 UNQCEQMQNXPWDQ-APPZFPTMSA-N 277.350 -0.047 10 10 CBCE NC(=O)[C@@H]1C[C@H](N)CN(Cc2ccc(O)cc2O)C1 2094663373 RVGGPHLPONTJQA-ZJUUUORDSA-N 265.313 -0.268 10 10 CBCE Cc1cc(N2C[C@@H]3NC(=O)C(=O)N[C@H]3C2)ccc1CN 2166790330 FGMYKJOTCSUNSD-RYUDHWBXSA-N 274.324 -0.743 10 10 CBCE Cc1cccc(O)c1CN1C[C@H]2NC(=O)C(=O)N[C@@H]2C1 2166790796 KWBKEJXBIFBFJT-GHMZBOCLSA-N 275.308 -0.501 10 10 CBCE NCCO[C@@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188922149 GJQHXTXRNMMVGD-SECBINFHSA-N 282.296 -0.007 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 2201270108 GOHNEZDXFYQTSI-MTBHXBHISA-N 278.264 -0.393 10 10 CBCE COc1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(C=O)c1 2235987360 QLTZCSPBALZORN-LLVKDONJSA-N 277.280 -0.702 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(CO)c1 2236002656 NSANBIIURPIYCN-STQMWFEESA-N 281.308 -0.502 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]3[C@H](O)CO)ccc21 2270707746 YHOSXMVXTJEMGN-TUAOUCFPSA-N 263.297 -0.430 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1O 2332916960 XNYUOBIBPNXKCZ-SDTWEEQHSA-N 269.297 -0.652 10 10 CBCE COC[C@@H](O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 42526066 RDDFWYZZZXRSBU-QWRGUYRKSA-N 298.339 -0.567 10 10 CBCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCCS(=O)(=O)C1 90256347 CZNGUOUWWKJORW-MRVPVSSYSA-N 262.291 -0.082 10 10 CBCE COC(=O)C1(O)CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 714427189 PPLGVRDPRFXAAR-SNVBAGLBSA-N 277.280 -0.637 10 10 CBCE N[C@H]1CCOC[C@H]1NC(=O)c1cc(O)nc(O)c1 721622304 IGUOZIHNOCWXMH-JGVFFNPUSA-N 253.258 -0.661 10 10 CBCE C[C@H](NC(N)=O)C(=O)NCc1ccc(O)cc1O 1162278344 HJROPUQIJHWLGJ-LURJTMIESA-N 253.258 -0.229 10 10 CBCE CN(C[C@H](O)CO)C(=O)Cc1ccc(O)c(O)c1 1545820587 BFWUVEGERPTVLU-VIFPVBQESA-N 255.270 -0.548 10 10 CBCE O=c1c2c(ccn1CCCS(=O)(=O)O)CCNC2 2033367639 GTMQMLKFQQKXQC-UHFFFAOYSA-N 272.326 -0.228 10 10 CBCE O=C(NC[C@@H](O)c1cnc[nH]1)c1cc(O)nc(O)c1 2088643537 IKNZNRRBVFEAJE-MRVPVSSYSA-N 264.241 -0.321 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)C[C@@H](O)C1)OCCO2 2105074147 OHKFQCUVTNHPQL-DTORHVGOSA-N 266.297 -0.028 10 10 CBCE N[C@@H]1C[C@@H](CNC(=O)c2cc(O)nc(O)c2)C[C@H]1O 2116192519 WJFWDNIHMGEQGP-FTLITQJKSA-N 267.285 -0.679 10 10 CBCE NC(=S)CNC(=O)C(=O)NCCc1ccc(O)c(O)c1 2148005536 UXBKVSLFHBFCFZ-UHFFFAOYSA-N 297.336 -0.841 10 10 CBCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(CO)cc1 2218513456 QHMXBJNOCHDSSN-UPJWGTAASA-N 253.298 -0.264 10 10 CBCE O=C(CN1CCN2C(=O)NC[C@@H]2C1)c1ccc(O)c(O)c1 91754294 ROSAVCXLKZGMHQ-SNVBAGLBSA-N 291.307 -0.010 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 316614645 ZYFFIUQYFVPIGW-GXFFZTMASA-N 280.324 -0.151 10 10 CBCE CN(C(=O)C[S@@](=O)CCC(N)=O)c1ccc(N)cc1 399443468 XDBWWPKJNOQIPZ-IBGZPJMESA-N 283.353 -0.144 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CCNC[C@@H]2O)cc1 1876432544 UTUQVFHGSBZGCI-RYUDHWBXSA-N 265.313 -0.513 10 10 CBCE COc1cccc(CNCC(O)(CO)CO)c1O 1913798691 FTMHWYXCKGLXDZ-UHFFFAOYSA-N 257.286 -0.794 10 10 CBCE O=C(c1cccc(O)c1O)N(CCO)C1COC1 1915678162 AERYMHAWLRUJSI-UHFFFAOYSA-N 253.254 -0.069 10 10 CBCE Cc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1O 2046512923 AEDKLLGLBOGKFZ-RSLMWUCJSA-N 253.298 -0.355 10 10 CBCE [N-]=[N+]=NC[C@H]1CCCN(CC(CO)(CO)CO)C1 2059269222 HTWHRIXPKJWGBR-SNVBAGLBSA-N 258.322 -0.028 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2081037585 ZMMDXDJTTIVVDR-ZJNJWXDTSA-N 252.314 -0.391 10 10 CBCE N=c1[nH]c(N)cc(=NCCc2ccc(O)c(O)c2)[nH]1 2091753587 JBGYFBRHEFWUMQ-UHFFFAOYSA-N 261.285 -0.041 10 10 CBCE CNC1(C(N)=O)CN(Cc2cc(OC)ccc2O)C1 2109491893 YQMWMKXMNMXPNY-UHFFFAOYSA-N 265.313 -0.340 10 10 CBCE COc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1 2165122098 LMMKWXYIFZGLCV-XDVZYSIHSA-N 283.324 -0.094 10 10 CBCE COC(=O)[C@@H](NC=O)[C@@H](O)c1ccc2c(c1)CCN2C 2178350680 BVGXQWSYBVUICK-STQMWFEESA-N 278.308 0.000 10 10 CBCE Nc1ccc(OCCC(=O)NC2(C(=O)O)CNC2)cc1 2191668141 QTONIUZXSYFYBA-UHFFFAOYSA-N 279.296 -0.420 10 10 CBCE NCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(F)c1 2225730020 RVRGDVIPJCFTRL-STQMWFEESA-N 270.304 -0.421 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@@](O)(CO)[C@H](O)C1 2234104400 GTEGVNXHIYGFNX-DGCLKSJQSA-N 283.280 -0.972 10 10 CBCE CCN(CCN=[N+]=[N-])CCS(=O)(=O)CCC(N)=O 2315988120 FLHHWAFXDXPYDM-UHFFFAOYSA-N 277.350 -0.091 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC(=O)NC(=O)C3)c(Cl)cc21 92752500 UXCRKYNWIQTHDA-NSHDSACASA-N 294.698 -0.245 10 10 CBCE COC(=O)[C@H](O)CNC(=O)COc1ccc(N)cc1 227201333 JGJQWZXYJNKCRS-SNVBAGLBSA-N 268.269 -0.702 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@@H](CO)[C@H](CO)C2)cc1 704704951 BQKZZNCMRRJGFX-QWRGUYRKSA-N 279.340 -0.260 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)[C@@H](O)C1 2027486077 XVOGBWJYGDYYRJ-QWRGUYRKSA-N 253.254 -0.796 10 10 CBCE NC(=O)[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C1CC1 2096497055 SOCCKFARGUXHQD-NSHDSACASA-N 283.353 -0.048 10 10 CBCE COC1(CNC(=O)Cc2ccc(O)c(O)c2)CNC1 2101702714 OJZVAFPOPKPKCZ-UHFFFAOYSA-N 266.297 -0.255 10 10 CBCE CN(CCS(C)(=O)=O)C(=O)c1cc(O)c(O)c(O)c1 2132349095 YIDWDLBNJREYMO-UHFFFAOYSA-N 289.309 -0.080 10 10 CBCE O=C1N[C@H]2CN(c3ccc(CO)cc3Cl)C[C@@H]2NC1=O 2166791227 QIMHJHHAQJIRMW-UWVGGRQHSA-N 295.726 -0.365 10 10 CBCE CN(C)CCN(CCN)C(=O)c1cc(O)c(O)c(O)c1 2188910059 RAIFWJFNZIDLFE-UHFFFAOYSA-N 283.328 -0.234 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@H]2COC[C@@H]21 2189100927 KIAMTUKSOZHCAP-QWRGUYRKSA-N 278.308 -0.161 10 10 CBCE O=C(O)[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2279203859 RJPBJJRHQTWGRV-SFYZADRCSA-N 282.252 -0.457 10 10 CBCE OC[C@@H]1CN(c2ccc3c(c2)CC[C@@H]3O)C[C@@H](O)[C@H]1O 2289358947 YBFXAEXHTRJWRB-HPEDKQMDSA-N 279.336 -0.184 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCCNC(=O)C1 87885751 JDKXLVRRABBAID-JTQLQIEISA-N 293.323 -0.684 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC(O)C1 227271528 NDRMRNBPJKAZLU-VIFPVBQESA-N 252.270 -0.829 10 10 CBCE Nc1cc2c(cc1N1C[C@H](O)[C@@H](CO)C1)CCC(=O)N2 316125023 LWLQFIYKEOEPHB-RNCFNFMXSA-N 277.324 -0.057 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](CO)[C@@H](O)C3)cc21 316968300 IDPXYWVFVFZLPK-AQUOVQTQSA-N 277.324 -0.548 10 10 CBCE C[C@]1(CO)C[C@H](O)CN1C(=O)COc1ccc(N)cc1 698160494 WWMDZIXEDAJWND-SMDDNHRTSA-N 280.324 -0.008 10 10 CBCE O=C(N[C@H]1CNCC[C@H]1O)c1ccc(O)c(O)c1 2063330466 ZJLZKMXRAICPFT-DTWKUNHWSA-N 252.270 -0.450 10 10 CBCE NCc1nc(NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 2126770099 RMVZNUHBTMJICO-UHFFFAOYSA-N 263.257 -0.144 10 10 CBCE CN(C(=O)c1cc(O)c(O)c(O)c1)c1nnnn1C 2132349199 AHDKJEWOCIFCGH-UHFFFAOYSA-N 265.229 -0.397 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1Cc1c(O)cccc1F 2136101283 KFCAYPHKTAVOPL-OUAUKWLOSA-N 271.244 -0.478 10 10 CBCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2136341835 LQGXDMUJSIPDGU-HZSPNIEDSA-N 266.341 -0.301 10 10 CBCE CNCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2201035462 QOONOVKDHAHJEO-GVXVVHGQSA-N 288.294 -0.413 10 10 CBCE Nc1ccc(NC(=O)N2CC[C@](O)(CO)[C@H](O)C2)cc1 2234106605 QFEYRIXWKWTIBZ-YPMHNXCESA-N 281.312 -0.409 10 10 CBCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1[C@@H](C)O 2269680722 DIIPMOKHSPNKIT-SECBINFHSA-N 265.313 -0.175 10 10 CBCE CS(=O)(=O)NCCNCc1ccc(O)c(O)c1 20203025 XBVYKHADOVLLRG-UHFFFAOYSA-N 260.315 -0.263 10 10 CBCE O=S(=O)(Nc1ccc(O)cc1)N1CCNCC1 40861244 XGYWKLVVLZYJJN-UHFFFAOYSA-N 257.315 -0.046 10 10 CBCE CN1C(=O)C[C@@H](NCc2cccc(O)c2O)C1=O 88775615 GAYPKCONCVTZRQ-MRVPVSSYSA-N 250.254 -0.055 10 10 CBCE Cn1[nH]c(=O)c(=O)nc1Sc1ncc(N)s1 236061035 FYMNTYXFDYBZLV-UHFFFAOYSA-N 257.300 -0.342 10 10 CBCE O=C1CN(C(=O)c2ccc(O)c(O)c2)[C@H](C(=O)O)CN1 236442785 SNCVHEWNXTUXAU-ZETCQYMHSA-N 280.236 -0.877 10 10 CBCE O=C(NC[C@@]1(O)CCNC1)c1ccc(O)c(O)c1 236563072 VFIGSKYGMQASIS-GFCCVEGCSA-N 252.270 -0.448 10 10 CBCE C[C@@H](CNCc1ccc(O)c(O)c1)S(N)(=O)=O 398289353 OSSWTMASMIVQOY-ZETCQYMHSA-N 260.315 -0.136 10 10 CBCE CNS(=O)(=O)NCC(=O)N(C)Cc1ccccc1O 774044470 RHJXRKNNBSUVDI-UHFFFAOYSA-N 287.341 -0.596 10 10 CBCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(O)cc1O 1626850968 ZIIUAQXKDJPRTG-JTQLQIEISA-N 255.270 -0.154 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COCC[C@H]2N)cc1 1876469064 XNOSTLJOZLXGQT-VXGBXAGGSA-N 285.369 -0.196 10 10 CBCE CN(Cc1ccccc1O)C(=O)NC[C@@H](O)C(=O)O 1877517116 DOUROEAKOBBSOG-SNVBAGLBSA-N 268.269 -0.021 10 10 CBCE COc1cccc([C@@H]2CS(=O)(=O)NCCN2)c1O 1952453797 FLFHSEJHIQUYOQ-VIFPVBQESA-N 272.326 -0.036 10 10 CBCE O=C(NC1(C(=O)O)CNC1)c1cccc(O)c1O 2034879656 NFTUUWYUZFHTNB-UHFFFAOYSA-N 252.226 -0.746 10 10 CBCE Nc1ccc(CCO[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 2056190375 YDNFTHDJMDOFOR-RYUDHWBXSA-N 271.338 -0.014 10 10 CBCE COC(=O)c1cccc(N)c1N[C@H]1CNC[C@H]1O 2071719991 VSPSSDOTRZEYFM-VHSXEESVSA-N 251.286 -0.200 10 10 CBCE COC1(CO)CN(C(=O)COc2ccc(N)cc2)C1 2101059084 JIUKVNSOZAZYQO-UHFFFAOYSA-N 266.297 -0.133 10 10 CBCE CO[C@H]1C[C@@H](CN)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188925090 SEMMKBZDTXENDN-IUCAKERBSA-N 282.296 -0.008 10 10 CBCE CC(C)(C)OC(=O)NCCONc1nnc(=N)[nH]n1 2209011103 HHZBHLTUVOMWDZ-UHFFFAOYSA-N 271.281 -0.453 10 10 CBCE CN1C(=O)NC(=O)C(=CNCCCn2ccnc2)C1=O 2297454960 XNIVVGAFQIGHQQ-UHFFFAOYSA-N 277.284 -0.545 10 10 CBCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1CN 61808276 PQBRBFQFMWHOKQ-UHFFFAOYSA-N 250.302 -0.769 10 10 CBCE C[C@@H](CO)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 86631626 MAAIGKDGDREWPS-SCZZXKLOSA-N 268.313 -0.288 10 10 CBCE Nc1ccc(NC(=O)CN2CCN3C(=O)NC[C@H]3C2)cc1 91752181 OWQVOIPLVDIGBH-LBPRGKRZSA-N 289.339 -0.083 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCOC[C@@H]1C(N)=O 158827156 SEVFJRPMQVEWGI-BXKDBHETSA-N 292.339 -0.218 10 10 CBCE CS(=O)(=O)CCNC(=O)c1ccc(O)c(O)c1 226957815 PORDIPSCEUXJON-UHFFFAOYSA-N 259.283 -0.128 10 10 CBCE CO[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1O 395975388 BIVWXSDFMRIRIK-VXGBXAGGSA-N 266.297 -0.134 10 10 CBCE O=C(c1cccc(O)c1O)N1CCO[C@H]2CNC[C@@H]21 686540528 CDMQSBFFRRDOJZ-ONGXEEELSA-N 264.281 -0.089 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 693454600 OCDDSBCBAOJXRJ-IEBDPFPHSA-N 277.324 -0.028 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 923773356 KHIBLODPAVJQLL-YPMHNXCESA-N 299.323 -0.433 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CCNC[C@H]1CO 1969442170 HHWIUHMCBBUUMT-JTQLQIEISA-N 266.297 -0.567 10 10 CBCE CN(C[C@@H](O)CN)c1cc2c(cc1N)OCCO2 2071626043 AMBHCQNWKVUFHV-QMMMGPOBSA-N 253.302 -0.204 10 10 CBCE NCC1(O)CN(C(=O)COc2ccc(N)cc2)C1 2071692141 NYYZKHCLTGZCST-UHFFFAOYSA-N 251.286 -0.820 10 10 CBCE CN1C[C@H](O)[C@H](NC(=O)COc2ccc(N)cc2)C1 2090333175 GQNFQWGYQYYHFJ-NEPJUHHUSA-N 265.313 -0.561 10 10 CBCE CN1CC[C@@H](Cn2ccc3c(c2=O)CNCC3)C1=O 2094404561 LBRXRGZOZFQNII-NSHDSACASA-N 261.325 -0.028 10 10 CBCE CN(CCOc1ccc(N)cc1)[C@H]1CC(=O)NC1=O 2114727619 QXRJLKMXKJNFOB-NSHDSACASA-N 263.297 -0.006 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1ccc(F)cc1O 2139762014 MTNHUKPIIXWMTP-VWYCJHECSA-N 271.244 -0.478 10 10 CBCE Nc1ccc(NC(=O)N2CCOC[C@@H]2[C@H](O)CO)cc1 2146335453 WLZIFOYICYMITE-VXGBXAGGSA-N 281.312 -0.145 10 10 CBCE COC(=O)[C@]1(N)C[C@H](NC(=O)c2cccc(O)c2O)C1 2151215622 FPRVGMWBQMDRQH-DQVINBPGSA-N 280.280 -0.140 10 10 CBCE CN(C)CCN(CCO)c1ccc2c(c1)NC(=O)[C@@H]2N 2155581436 XNHWHQGQAIWZRA-CYBMUJFWSA-N 278.356 -0.001 10 10 CBCE O=C([C@H]1CNc2ccccc2N1)N1C[C@@H](O)C[C@H](O)C1 2183267080 ITOOEZXQHZYDJN-OUJBWJOFSA-N 277.324 -0.153 10 10 CBCE CN(C(=O)CN1CC[C@H](O)[C@@H](O)C1)c1ccc(N)cc1 2188624079 QSJPCFBDZWPXDW-STQMWFEESA-N 279.340 -0.341 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(C=O)c1 2227694187 GJEXGOJLVYYZAM-AGIUHOORSA-N 267.281 -0.590 10 10 CBCE Oc1ccc(CN[C@H]2C[C@@H](O)[C@H](O)[C@@H]2O)cc1O 2309041546 JZEMBHOJAVAYAS-BWWFWGKFSA-N 255.270 -0.958 10 10 CBCE O=C1CC[C@@H](NCc2ccc(O)cc2O)C(=O)N1 89754184 ULUVJZKZPSMKSJ-SECBINFHSA-N 250.254 -0.007 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](CO)[C@@H](CO)C2)cc1 704757792 BQKZZNCMRRJGFX-GHMZBOCLSA-N 279.340 -0.260 10 10 CBCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCNC(=O)CO 1632681220 NMCPEPPQDOJGQN-SECBINFHSA-N 296.323 -0.356 10 10 CBCE COC(=O)C1CN(C(=O)c2cc(O)nc(O)c2)C1 2041761149 JIKLYJVBMAOTQU-UHFFFAOYSA-N 252.226 -0.262 10 10 CBCE COc1cccc(O)c1CNCCCNS(N)(=O)=O 2104437400 FSVKHRDYKWNTKG-UHFFFAOYSA-N 289.357 -0.326 10 10 CBCE COC1(CCNC(=O)c2cc(O)nc(O)c2)CNC1 2110713533 UGGPXFCJACEMPH-UHFFFAOYSA-N 267.285 -0.399 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccc(O)c(O)c1 2136096029 NNDGWBUJPQJVBX-DCAQKATOSA-N 269.253 -0.912 10 10 CBCE N[C@@H]1C[C@H](O)[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 2152800520 DSBTYCGPPUUQKK-SCVCMEIPSA-N 280.324 -0.145 10 10 CBCE O=C(O)C[C@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C1 2160880057 YLBGTWLFTJPZGU-GFCCVEGCSA-N 282.252 -0.456 10 10 CBCE COC1(C(N)=O)CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 2161183017 DEGRGVIHYPANMY-JTQLQIEISA-N 276.296 -0.671 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCNC[C@@H]1CO 2172905719 VRXYEDURWGSHTD-MNOVXSKESA-N 280.324 -0.273 10 10 CBCE C[C@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@H]1O 2197968701 VBFUMAUOZGLLID-DYEKYZERSA-N 277.324 -0.040 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1CCNC(=O)[C@@H]1C(N)=O 2240827889 BUWFUJUIXOWLMK-SKDRFNHKSA-N 277.324 -0.162 10 10 CBCE CN1C(=O)NC(=O)C(=CNN2CCCCC2)C1=O 2295916661 XKKRTYIGBFFQMJ-UHFFFAOYSA-N 252.274 -0.431 10 10 CBCE O=C(O)C(=O)N1CCN(Cc2ccc(O)c(O)c2)CC1 396673823 SOFXVTMVNGLSCL-UHFFFAOYSA-N 280.280 -0.173 10 10 CBCE COC[C@@](C)(CO)N(C)C(=O)c1cc(O)nc(O)c1 689311031 LVGMKBZFZCDYKB-GFCCVEGCSA-N 270.285 -0.038 10 10 CBCE CN(C)c1ccc(CNC(=O)C(=O)NCCCN)cc1F 842147093 ANCXOENRYNGLNT-UHFFFAOYSA-N 296.346 -0.027 10 10 CBCE C[C@](NCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCS(=O)(=O)C1 1912181896 ULJWRSVSNORKQE-VXNVDRBHSA-N 275.334 -0.435 10 10 CBCE COC1(CN)CN(C(=O)c2cccc(O)c2O)C1 2039556171 MBCYWRCKZASGPX-UHFFFAOYSA-N 252.270 -0.103 10 10 CBCE Cn1cc(CN)c(=NC(=O)c2cc(O)nc(O)c2)[nH]1 2094243101 GGEIISSYCSTIFX-UHFFFAOYSA-N 263.257 -0.641 10 10 CBCE CNC1(C(N)=O)CN(Cc2ccc(OC)cc2O)C1 2109491962 ZOKXAKNUANSDJF-UHFFFAOYSA-N 265.313 -0.340 10 10 CBCE COC[C@@H](O)CCNC(=O)c1cc(O)c(O)c(O)c1 2132348384 KIUVMTDVCIIQQD-QMMMGPOBSA-N 271.269 -0.069 10 10 CBCE O=C(NCC1(CO)COC1)c1cc(O)c(O)c(O)c1 2132351239 VPOCPHSKODOAII-UHFFFAOYSA-N 269.253 -0.458 10 10 CBCE C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2188868097 LYJZQHSACKJQRN-OQPBUACISA-N 283.280 -0.239 10 10 CBCE CO[C@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@H]1N 2191787693 IXWNLZWVNIJUTF-PELKAZGASA-N 278.312 -0.238 10 10 CBCE Nc1cc(NS(=O)(=O)N2CC(O)C2)ccc1O 2214994769 RVEASVIBIPXIBH-UHFFFAOYSA-N 259.287 -0.692 10 10 CBCE O=C(N[C@H]1CNC[C@H](F)C1)c1cc(O)nc(O)c1 2219127003 OAACKXLZVBUDCT-HTQZYQBOSA-N 255.249 -0.077 10 10 CBCE Cc1cc(CN)ccc1N1CC[C@](O)(CO)[C@H](O)C1 2225729592 PSBSMELOVCCWLF-KGLIPLIRSA-N 266.341 -0.252 10 10 CBCE Nc1ccc(O)c(CN2CC3(CNC(=O)CO3)C2)c1 2273941705 BOAHXVCJNPJJQY-UHFFFAOYSA-N 263.297 -0.325 10 10 CBCE Cc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)ccc1CN 2311714707 GADQZWYVFGWBQN-UPJWGTAASA-N 252.314 -0.644 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1 2354366592 HPGSKFWRFYADMB-FRRDWIJNSA-N 278.308 -0.134 10 10 CBCE CNCc1ccc(N(CC(N)=O)CC(N)=O)cc1C 61808277 QBPFXYPLGBPGFJ-UHFFFAOYSA-N 264.329 -0.509 10 10 CBCE NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCOc1ccc(N)cc1 103475902 OKKKTHQCXNRGDH-ZYHUDNBSSA-N 293.323 -0.515 10 10 CBCE CN(C(=O)CNS(=O)(=O)N(C)C)c1ccc(N)cc1 311813217 GWOOKTGCGPQFIF-UHFFFAOYSA-N 286.357 -0.372 10 10 CBCE NC(=O)[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 312702978 RULUVDXFNZTHFT-GXFFZTMASA-N 276.296 -0.935 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@](O)(CO)C3)ccc21 314279401 YOVDHQGUNQQEPQ-AAEUAGOBSA-N 263.297 -0.428 10 10 CBCE CS(=O)(=O)NCC(=O)N1CCC(N=[N+]=[N-])CC1 1912143968 MORSIAWJKMHFJE-UHFFFAOYSA-N 261.307 -0.163 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)N2CC[C@@H](O)C2)C1 1912155357 KTJLBFWPOGREER-DTWKUNHWSA-N 275.334 -0.070 10 10 CBCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CCO)cc1 2040056314 KZMKUAURJRPDCB-UHFFFAOYSA-N 294.354 -0.208 10 10 CBCE Nc1ccc(CC(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)cc1 2046487487 CVHFNANCZRYDNO-IJLUTSLNSA-N 250.298 -0.188 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@@H]3C(N)=O)cc21 2089367790 BNQSVLVWOHELHR-MWLCHTKSSA-N 261.281 -0.240 10 10 CBCE NC(=O)[C@H]1C[C@H](N)CN(Cc2ccc(O)c(O)c2)C1 2094661434 DSRNOLVJCCUVOF-UWVGGRQHSA-N 265.313 -0.268 10 10 CBCE NCCCOC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2206947394 BOVQZRSABJATGI-UHFFFAOYSA-N 282.296 -0.007 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1 2273805154 IIRJWAWXVSIMQN-JCOFBHIZSA-N 271.288 -0.015 10 10 CBCE COc1ccc(N(C)C[C@H]2NC[C@@H](O)[C@H]2O)cc1 2311711122 NPVXAZYSCPRVCK-UPJWGTAASA-N 252.314 -0.175 10 10 CBCE CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 54076009 MMRNFHWSKVZITL-CBAPKCEASA-N 282.296 -0.182 10 10 CBCE O=[N+]([O-])c1cc(CNC[C@H](O)CO)cc(O)c1O 83429528 VTFFAIOEXILVDX-ZETCQYMHSA-N 258.230 -0.551 10 10 CBCE O=C(NCCCOCCO)c1cc(O)nc(O)c1 230767658 PQAGERGTHFBLTM-UHFFFAOYSA-N 256.258 -0.378 10 10 CBCE CN1C[C@H](NCc2ccc(O)c(O)c2O)C(=O)N1 393893406 AEDHFTHTOONERW-ZETCQYMHSA-N 253.258 -0.762 10 10 CBCE N[C@@H]1COCC[C@@H]1NC(=O)c1ccc(O)c(O)c1 707038553 AMJSHMURVIGSQR-BDAKNGLRSA-N 252.270 -0.056 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)[C@H]1COC[C@@H]1O 709155682 FCYFKHDSCMVAQG-RYUDHWBXSA-N 266.297 -0.134 10 10 CBCE Cn1cc(S(=O)(=O)NCc2ccc(N)cc2)c(=N)[nH]1 1876408783 KURNFEVBRCSMCI-UHFFFAOYSA-N 281.341 -0.107 10 10 CBCE O=C(NCCC1(O)CNC1)c1ccc(O)c(O)c1 2027276483 RGSDZAGSYUIIBF-UHFFFAOYSA-N 252.270 -0.448 10 10 CBCE Oc1cccc(F)c1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046510715 GXDZHTNUUDDTHW-KLHWPWHYSA-N 257.261 -0.524 10 10 CBCE O=C1CN(c2ccc(CO)cc2)CCN1CCO 2051438742 YEFJECDNZPMETG-UHFFFAOYSA-N 250.298 -0.180 10 10 CBCE CN1C[C@](NCCN=[N+]=[N-])(C(N)=O)CCCC1=O 2068217365 MCTQFGUHVLGPPO-JTQLQIEISA-N 254.294 -0.247 10 10 CBCE NCCOCCNC(=O)c1cc(O)c(O)c(O)c1 2068618407 QJUUBTMELAUAGP-UHFFFAOYSA-N 256.258 -0.492 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2COC[C@H]2CO)cc1 2090326143 UWMYRALLCLPNHA-ZYHUDNBSSA-N 286.353 -0.305 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H]1[C@H](O)CO 2123157976 OLHBSHVNMZNHCM-RKDXNWHRSA-N 268.269 -0.549 10 10 CBCE Cc1ccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c(O)c1 2139756193 PXWMSRCOSJWSSK-HBJVGIJOSA-N 267.325 -0.107 10 10 CBCE NC(=O)[C@@H]1CNC[C@H](NC(=O)c2cccc(O)c2O)C1 2151065221 UPTWTQUQAMXOKA-JGVFFNPUSA-N 279.296 -0.709 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CNCC[C@@H]1CO 2172893276 PAWQHMKBSYLKLB-MNOVXSKESA-N 280.324 -0.273 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CCC[C@@H]2N 2184689643 RCTCKJRYVABVEY-LBPRGKRZSA-N 276.340 -0.200 10 10 CBCE NC(=O)[C@@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@H]2N 2184717344 AUUVLTOLMQEUNU-VXGBXAGGSA-N 274.324 -0.577 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1ccc2c(c1)CC[C@@H]2N 2184740872 AUUVLTOLMQEUNU-RYUDHWBXSA-N 274.324 -0.577 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@H]2COC[C@@H]21 2186369273 CYRKZARHGGFPSV-DCAQKATOSA-N 278.308 -0.175 10 10 CBCE NC(=O)[C@H]1C[C@H](N)CN(C(=O)Cc2ccc(N)cc2)C1 2191721642 XRRGQZPUEUIBTB-JQWIXIFHSA-N 276.340 -0.528 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNCC[C@H]2CO)cc1 2191790012 CRYLQGQSRKTEGC-WCQYABFASA-N 299.396 -0.341 10 10 CBCE CC(C)(C)OC(=O)N1CC(ONc2nnc(=N)[nH]n2)C1 2209172663 IAVCYBAJSOOURC-UHFFFAOYSA-N 283.292 -0.358 10 10 CBCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)C1CS(=O)(=O)C1 2218746369 PZEVXKDHYKHONN-JGVFFNPUSA-N 294.358 -0.066 10 10 CBCE COc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(CO)c1 2236003045 PJDNJOJPXKBDEG-ZIAGYGMSSA-N 283.324 -0.254 10 10 CBCE N[C@@H](CO)c1cc(CC(=O)O)cc([N+](=O)[O-])c1O 72199247 XHTUHJLWXTULMN-ZETCQYMHSA-N 256.214 -0.080 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 167864970 CDPONZWKJZMNMF-AWEZNQCLSA-N 288.307 -0.378 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](O)[C@H](O)C2)cc1 227221951 OYYXFPKPSBVSJY-PHIMTYICSA-N 272.326 -0.864 10 10 CBCE NC[C@]1(NC(=O)c2cccc(O)c2O)CCOC1 393975253 YSMPTUZLGIUVLZ-GFCCVEGCSA-N 252.270 -0.055 10 10 CBCE NC(=O)N[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 690715609 RLBSHKAIEAPASP-MRVPVSSYSA-N 265.269 -0.019 10 10 CBCE COC(=O)C1(O)CN(CCOc2ccc(N)cc2)C1 714509001 XSOWTFAQGILDRX-UHFFFAOYSA-N 266.297 -0.133 10 10 CBCE O=C(NC[C@H]1CCNC1=O)c1cc(O)c(O)c(O)c1 1887190511 RBSNQQVCRFNZGB-ZCFIWIBFSA-N 266.253 -0.331 10 10 CBCE NC(=O)C1(O)CN(c2cc3c(cc2N)NC(=O)CC3)C1 1915248625 JODFKBBVWIQPCZ-UHFFFAOYSA-N 276.296 -0.810 10 10 CBCE CO[C@@H]1CC(NCCN=[N+]=[N-])(C(N)=O)C[C@H]1OC 2047395910 BQCLTEKOHAOFBP-HTQZYQBOSA-N 257.294 -0.066 10 10 CBCE N[C@@H]1CCCN(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2050185745 SAYSMDLMCTYKMF-GMTAPVOTSA-N 253.346 -0.325 10 10 CBCE NCC12COC(C(=O)C(=O)C[C@H]3C[C@H](N)C3)(C1)C2 2086110554 JGGDHYGWXFIJJT-DMGLHBDOSA-N 252.314 -0.240 10 10 CBCE CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CC(=O)NC1=O 2171198809 CQDLWUCMKRAINX-MRVPVSSYSA-N 278.264 -0.032 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1 2174708437 SGFBVUYDZSIYIY-PJXYFTJBSA-N 296.348 -0.193 10 10 CBCE COCCNC(=O)CCn1ccc2c(c1=O)CNCC2 2236658789 MPAVPUMAPBQDQP-UHFFFAOYSA-N 279.340 -0.353 10 10 CBCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(F)c1 2289331794 QWISUTYYJHIGEH-WLTAIBSBSA-N 288.294 -0.426 10 10 CBCE Nc1ccc(O)c(CNS(=O)(=O)N2CCOCC2)c1 36742802 HSNPDNQQFLVKMS-UHFFFAOYSA-N 287.341 -0.359 10 10 CBCE Nc1ccc(OCC(=O)N2CCOC[C@H]2CO)cc1 167892095 PAOFBAYSZZIJCX-LLVKDONJSA-N 266.297 -0.133 10 10 CBCE C[C@@H]1C(=O)NCCN1c1ccc2c(c1)NC(=O)[C@H]2N 252412936 BJKDOLKAMNTRPJ-HQJQHLMTSA-N 260.297 -0.037 10 10 CBCE O=C(CN1C[C@@H](CO)[C@@H](O)C1)c1ccc(O)c(O)c1 317152467 COYLXTFAXPJZAU-ZANVPECISA-N 267.281 -0.435 10 10 CBCE CN(C(=O)c1cc(O)nc(O)c1)[C@H]1COC[C@H]1O 708747620 MKCQXFYQAVHBDW-JGVFFNPUSA-N 254.242 -0.676 10 10 CBCE CC(=O)C(=O)COC(=O)C(C)(C)N1CCOCC1 808547748 STGLRTGLRTULIL-UHFFFAOYSA-N 257.286 -0.202 10 10 CBCE C[C@@H](NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)c1ccccc1O 1171723445 RHQYGFBCKUEOET-HKSFMPNISA-N 293.319 -0.018 10 10 CBCE [N-]=[N+]=NC[C@@H]1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)C1 1912158425 XJFKLHGVEKKYDS-CIUDSAMLSA-N 260.319 -0.224 10 10 CBCE CN(C(=O)COc1ccc(N)cc1)[C@H]1CCNC1=O 1916855006 WBXCLSQNDQHEOM-NSHDSACASA-N 263.297 -0.006 10 10 CBCE Cn1[nH]c(=O)c(=O)nc1Sc1ncc(C=O)s1 1949613298 BOTHPYSLLYKVKZ-UHFFFAOYSA-N 270.295 -0.111 10 10 CBCE CN(C)Cc1cc([C@@H](N)[C@@H](O)C(=O)O)ccc1O 1952508643 IWJNFCYGLALPJC-GHMZBOCLSA-N 254.286 -0.101 10 10 CBCE C[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)N1CCNCC1 2049785011 UOECAFHPXCNGGS-GMTAPVOTSA-N 253.346 -0.454 10 10 CBCE Nc1ccc(CCO[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 2056190374 YDNFTHDJMDOFOR-NWDGAFQWSA-N 271.338 -0.014 10 10 CBCE O=C1CCC(=O)N1CCn1ccc2c(c1=O)CNCC2 2150798159 QZIAVQKRXMPGND-UHFFFAOYSA-N 275.308 -0.357 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(F)c(F)c2O)[C@@H](O)[C@@H]1O 2177949385 RFZFWFVYKNEYOZ-LYDNSBFWSA-N 289.278 -0.137 10 10 CBCE O=C(NC[C@H](O)c1cnc[nH]1)c1cc(O)c(O)c(O)c1 2188868908 YVMJDHDQTHZTBB-JTQLQIEISA-N 279.252 -0.010 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CCNC(=O)C12CC2 2188908489 CQVGSUJCOBZEAX-UHFFFAOYSA-N 278.264 -0.092 10 10 CBCE CO[C@@H]1C[C@@H](CN)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188925089 SEMMKBZDTXENDN-DTWKUNHWSA-N 282.296 -0.008 10 10 CBCE [N-]=[N+]=NCCCNC(=O)[C@H]1CS(=O)(=O)C[C@H]1C(=O)O 2225792379 MRPZDCTYAOIMIG-NKWVEPMBSA-N 290.301 -0.452 10 10 CBCE COc1ccc(N2CC(OCC(N)=O)C2)c(CO)c1 2227710814 JJGWGZSDSDDZFF-UHFFFAOYSA-N 266.297 -0.122 10 10 CBCE CN(C)CCNC(=O)[C@H](N)c1cccc(O)c1O 83395678 MQZFBIILWYLRKO-SNVBAGLBSA-N 253.302 -0.225 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCOC[C@H](O)C2)cc1 399872985 QOBMFLRMHDMKLC-CHWSQXEVSA-N 282.340 -0.298 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1Cl 693402005 WQIKJBCOFPLKMG-AOOOYVTPSA-N 296.758 -0.178 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN[C@@H](CCO)C1 710593258 HGPNFQJWOQFADN-VIFPVBQESA-N 266.297 -0.106 10 10 CBCE O=S1(=O)C[C@@H](c2ccc(O)c(O)c2O)NCCN1 1952528391 QIFJDNMNEVMVSA-ZETCQYMHSA-N 274.298 -0.633 10 10 CBCE O=C1CN(Cc2ccc(F)cc2O)[C@@H](C(=O)O)CN1 1964719135 IHOYWUPMKTZVFR-SECBINFHSA-N 268.244 -0.084 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@H](O)C1 2068405763 IAQKSGSQPYRZSK-WCBMZHEXSA-N 253.254 -0.335 10 10 CBCE O=C(N[C@@H]1COC[C@H]1O)c1cc(O)c(O)c(O)c1 2068575432 CNSIPRAPBHACRK-HZGVNTEJSA-N 255.226 -0.707 10 10 CBCE O=C(N[C@H]1CCNC1=O)c1cc(O)c(O)c(O)c1 2068576312 IKWTUNHLDLYGGW-LURJTMIESA-N 252.226 -0.578 10 10 CBCE Nc1ccc(CC(=O)N2CCC2(CO)CO)cc1 2073921780 JXKULDVYIQFEOE-UHFFFAOYSA-N 250.298 -0.233 10 10 CBCE NC[C@@H]1C[C@@H](CNC(=O)c2cc(O)nc(O)c2)CO1 2102873787 VEDXJBXZVBQGBD-CBAPKCEASA-N 267.285 -0.414 10 10 CBCE CN(c1ccc(N)cc1)S(=O)(=O)N1CC(C(=O)O)C1 2108036136 JFTDSXDJAUTYOT-UHFFFAOYSA-N 285.325 -0.034 10 10 CBCE O=C(NCC[C@@H]1COC[C@@H]1O)c1cc(O)nc(O)c1 2111276710 IYTVLQGNRPWDOC-APPZFPTMSA-N 268.269 -0.380 10 10 CBCE C[C@H]1CNC(=O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 2124755230 BGSLFWSZQVVHQW-MADCSZMMSA-N 260.297 -0.037 10 10 CBCE O=C(CN1C[C@H](CO)C[C@@H]1CO)c1ccc(O)c(O)c1 2146128586 ZLDVZRFSAPLKTJ-MWLCHTKSSA-N 281.308 -0.044 10 10 CBCE O=C(NC[C@@H]1C[C@@H]2COC[C@H]2N1)c1cc(O)nc(O)c1 2153855585 QRVOMHPQADMNEH-KXUCPTDWSA-N 279.296 -0.401 10 10 CBCE COC[C@](O)(CO)CNC(=O)COc1ccc(N)cc1 2158608739 YVUUZBQOTDVTGH-CYBMUJFWSA-N 284.312 -0.866 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@@H]2O 2182538717 OSAQWUCASXZTHA-IVQVNHIISA-N 280.280 -0.694 10 10 CBCE C[C@@H](O)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1O 2184133748 WSGKAWPWOBHGBE-HQJQHLMTSA-N 279.296 -0.764 10 10 CBCE O[C@H]1CCc2cc(N3CC4(C3)OC[C@@H](O)[C@H]4O)ccc21 2184732057 PSEGFHVYDUSQHU-BFHYXJOUSA-N 277.320 -0.023 10 10 CBCE Cc1cccc(CNC(=O)[C@]2(O)CCNC[C@@H]2O)c1O 2204622820 JFCCUHFBLMCDAJ-FZMZJTMJSA-N 280.324 -0.598 10 10 CBCE COc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c(CN)c1 2235967021 AQKWMQAGDNZXGK-GHMZBOCLSA-N 275.308 -0.137 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1 2273791233 PVZDNCUOPTXWCU-TVYUQYBPSA-N 271.288 -0.532 10 10 CBCE COC(=O)CS(=O)(=O)CC(=O)Nc1ccc(N)cc1 36336939 DBKDQKVMQXKCDH-UHFFFAOYSA-N 286.309 -0.205 10 10 CBCE CS(=O)(=O)CCN(CC(N)=O)Cc1ccc(N)cc1 37744030 XQCVPPHGADPFMY-UHFFFAOYSA-N 285.369 -0.399 10 10 CBCE CS(=O)(=O)NCC(=O)NCc1cc(N)ccc1O 311038295 RPXLVIFEMUPWCV-UHFFFAOYSA-N 273.314 -0.860 10 10 CBCE NC(=O)C1(O)CCN(CCOc2ccc(N)cc2)CC1 312583588 CUSSFRDTUSRMOF-UHFFFAOYSA-N 279.340 -0.040 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@](O)(CO)C2)cc1 313798297 LSNUPBGHSPCVEP-TZMCWYRMSA-N 282.340 -0.562 10 10 CBCE O=C1NCC[C@@H]1NC(=O)[C@@H]1CNc2ccccc2N1 693906186 FRSJZTSLJFXDOL-QWRGUYRKSA-N 260.297 -0.103 10 10 CBCE C[C@H](O)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2125476067 JWBCEVVKCOHCFJ-POYBYMJQSA-N 269.253 -0.410 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)C[C@H]1CO 2132349768 HBIOZBWBRHXPGU-YUMQZZPRSA-N 269.253 -0.629 10 10 CBCE NC(=O)C1(CNC(=O)c2cc(O)c(O)c(O)c2)CC1 2132406186 GEBAEIWOMYABSM-UHFFFAOYSA-N 266.253 -0.201 10 10 CBCE N[C@@H]1C[C@H]1C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2157501589 DXZUNYPBXXBGIP-IWSPIJDZSA-N 280.280 -0.443 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2C[C@H](O)C[C@@H](O)C2)cc1 2183269175 QUBXOWSCABVZME-UPJWGTAASA-N 282.340 -0.564 10 10 CBCE NCC1(O)CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2188928318 KHCYKYJKNZPIPR-UHFFFAOYSA-N 282.296 -0.271 10 10 CBCE Nc1ccc(CN2CC[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)cc1 2332505501 MQIQYRCUGRVXLR-IJLUTSLNSA-N 266.297 -0.351 10 10 CBCE C[C@@H](O)CNC(=O)[C@@H](N)c1ccc(O)c(O)c1O 83414147 HHEXHZPJSJZMMG-XRGYYRRGSA-N 256.258 -0.700 10 10 CBCE Nc1ccc(N2CCN(S(N)(=O)=O)CC2)cc1 163346616 CTJBPROUAYMZMC-UHFFFAOYSA-N 256.331 -0.406 10 10 CBCE COC(=O)[C@@H](CO)NC(=O)c1ccc(O)c(O)c1 227016106 BEWJEIAJDFUMAJ-SSDOTTSWSA-N 255.226 -0.639 10 10 CBCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CC(=O)N1 387354142 VQTXMJGDFWVSRA-VIFPVBQESA-N 283.353 -0.081 10 10 CBCE Nc1ccc(OCC(=O)NCCc2nc(=O)o[nH]2)cc1 392185076 PZYOMGDCILULSM-UHFFFAOYSA-N 278.268 -0.317 10 10 CBCE NC(=O)NCCC(=O)NCc1cccc(O)c1O 1455317392 KYGUTUJYIMLLLQ-UHFFFAOYSA-N 253.258 -0.228 10 10 CBCE O=C1C[C@H](c2cc(O)nc(O)c2)[C@H](C(=O)O)C(=O)N1 1952376804 UCOALKUVBBACKN-ANLVUFKYSA-N 266.209 -0.676 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1C[C@H](O)C[C@@H]1O 2046527901 WWQOUXYRGXWFJE-QUNWWBBNSA-N 251.286 -0.336 10 10 CBCE Nc1ccc(NC(=O)CN2CC(O)(CO)C2)cc1 2051896255 CDXJRNUCJGDOJX-UHFFFAOYSA-N 251.286 -0.754 10 10 CBCE NC[C@@H]1C[C@H](NC(=O)c2cc(O)nc(O)c2)CCO1 2097947295 WZJFMBDKAGVYJF-BDAKNGLRSA-N 267.285 -0.271 10 10 CBCE O=C1Nc2cc(N3C[C@H](O)C[C@@H](O)C3)ccc2[C@@H]1O 2105109587 AOLONYVYWJHUSM-LNLATYFQSA-N 264.281 -0.396 10 10 CBCE CNC1(C(N)=O)CN(c2ccc(OC)cc2OC)C1 2109480851 IXZSOXQXFQPLTP-UHFFFAOYSA-N 265.313 -0.033 10 10 CBCE O=C1CC2(CN1)CN(c1ccc3c(c1)NC(=O)[C@@H]3O)C2 2176159831 NDROKUGHHHJVIC-GFCCVEGCSA-N 273.292 -0.002 10 10 CBCE O=C(CN1C[C@H](O)[C@@H](O)[C@@H]1CF)c1ccc(O)c(O)c1 2205617704 ITIFSSBULINCOK-HJIKLVIJSA-N 285.271 -0.344 10 10 CBCE O=C(NCC1(O)CSC1)c1cc(O)nc(O)c1 2247993375 RXJKGONIEINYIN-UHFFFAOYSA-N 256.283 -0.300 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC(O)(CCO)C1 2258302090 QZFSXPUJCNLILV-UHFFFAOYSA-N 254.242 -0.938 10 10 CBCE COC(=O)[C@@H](N)CN1CCc2cc(O)c(O)cc2C1 2343411157 BXPOABQROAKZPA-JTQLQIEISA-N 266.297 -0.044 10 10 CBCE C1=NC2=NC=N[C@@H]2C(/N=N/C2=NC=NC3=NC=N[C@@H]32)=N1 5837917 VTZLJLGAVCQCHY-BCZSTCNFSA-N 266.228 -0.063 10 10 CBCE NC(=O)[C@H](c1ccc(O)c(O)c1)N1CCNCC1 37945598 FZNQECSGAUSCNB-NSHDSACASA-N 251.286 -0.471 10 10 CBCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cn(CCCO)nn1 90639302 JVBARRCUNMDMSI-QMMMGPOBSA-N 268.281 -0.913 10 10 CBCE COc1ccc(N2CC(=O)N[C@H](CN)C2)cc1OC 217136184 HHKQDJWZUSAJKV-SECBINFHSA-N 265.313 -0.033 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@H]2COC[C@H]2O)cc1 323344626 YDSNAVLRPHDYPK-WDEREUQCSA-N 272.326 -0.552 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](CO)[C@@H](O)C1 1154148332 YVMTXGNKNXRMGC-MFKMUULPSA-N 281.308 -0.158 10 10 CBCE O=C(NCC(=O)N1CCCO1)c1cccc(O)c1O 1331655406 FJIHAQAOXYJQHW-UHFFFAOYSA-N 266.253 -0.009 10 10 CBCE O=C1C[C@@H](C(=O)NCc2cccc(O)c2O)NC(=O)N1 1471642707 YDEPCHSHTDTCSU-ZETCQYMHSA-N 279.252 -0.688 10 10 CBCE CN(CC(=O)O)C(=O)c1nnn(-c2ccc(N)cc2)n1 1857879233 ZXMKEPVXBOSKKF-UHFFFAOYSA-N 276.256 -0.599 10 10 CBCE N[C@@H](CCNC(=O)c1cccc(O)c1O)C(=O)O 2028194731 FARZGMFWKDRXML-ZETCQYMHSA-N 254.242 -0.370 10 10 CBCE C[C@@H](NCCNS(N)(=O)=O)c1ccc(O)cc1O 2039813046 GVHSOPOAXOCIAW-SSDOTTSWSA-N 275.330 -0.459 10 10 CBCE O=S1(=O)C[C@@H](NCc2c(O)cccc2F)[C@@H](O)C1 2057714417 QEXUKQGGJQCWFC-KOLCDFICSA-N 275.301 -0.221 10 10 CBCE C[C@@](N)(CO)CNS(=O)(=O)Cc1ccc(N)cc1 2071665790 NGKGSMPQOKVNCJ-NSHDSACASA-N 273.358 -0.602 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3CC[C@@H]3C(N)=O)cc21 2089365559 LPFMVEPEGPOKOT-MWLCHTKSSA-N 260.297 -0.273 10 10 CBCE COc1ccc(O)c([C@H](C)N2CC(N)(C(N)=O)C2)c1 2109485702 PAHFESZASASLKX-QMMMGPOBSA-N 265.313 -0.040 10 10 CBCE NCc1ccc2c(c1)CCN2[C@@H]1CS(=O)(=O)C[C@H]1O 2133389323 DURBXKMHJVPARI-CHWSQXEVSA-N 282.365 -0.334 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166791502 TWLJHFXZTASZGV-GGZOMVNGSA-N 274.324 -0.491 10 10 CBCE COC(=O)[C@H](NC=O)[C@H](O)c1ccc2c(c1)CCN2C 2178350677 BVGXQWSYBVUICK-CHWSQXEVSA-N 278.308 0.000 10 10 CBCE CN1C(=O)C[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O 2188868900 YTFQAJBUDDVLJO-LURJTMIESA-N 280.236 -0.710 10 10 CBCE C[C@H](N)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCO1 2188918188 CCUUZFJHUNACDN-CPCISQLKSA-N 282.296 -0.008 10 10 CBCE Nc1cc2c(cc1N1C[C@@H](O)CC13CNC3)OCCO2 2191461330 ZFTJCLPVHNWVFM-VIFPVBQESA-N 277.324 -0.047 10 10 CBCE NC(=O)C1[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]12 2201270109 GOHNEZDXFYQTSI-RNFRBKRXSA-N 278.264 -0.393 10 10 CBCE Nc1ccc(O)c(CN2CCNCCNCC2)c1 2220634247 QQZOESFBZBKELL-UHFFFAOYSA-N 250.346 -0.031 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCNCCNCC1 2227916272 WGIHLJPGGPBPRR-UHFFFAOYSA-N 265.313 -0.267 10 10 CBCE O=C(NCC[C@@]1(O)CCNC1)c1cccc(O)c1O 2230135096 ALTMMAOOBSZXMW-ZDUSSCGKSA-N 266.297 -0.058 10 10 CBCE C[C@@]1(O)CCN(c2ccc3c(c2)NC(=O)[C@@H]3O)C[C@@H]1O 2357528300 AASORZGUXPJCKV-OUCADQQQSA-N 278.308 -0.006 10 10 CBCE CN[C@@H](C)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 54076011 MMRNFHWSKVZITL-IONNQARKSA-N 282.296 -0.182 10 10 CBCE N[C@H](CC(=O)NCc1cc(O)ccc1O)C(=O)O 83397863 WIFQNRNTBMGZAW-MRVPVSSYSA-N 254.242 -0.484 10 10 CBCE COc1cc(O)c(CNC[C@H](O)CO)c(OC)c1 83419810 JSJOJNFXIBKGJT-QMMMGPOBSA-N 257.286 -0.148 10 10 CBCE Oc1cc2c(cc1CNCCc1nnn[nH]1)OCO2 95149031 CYWANTLBTYZDKX-UHFFFAOYSA-N 263.257 -0.034 10 10 CBCE CN1C(=O)C[C@H](NC(=O)COc2ccc(N)cc2)C1=O 116071835 KFJWFFZIXSIIJP-JTQLQIEISA-N 277.280 -0.479 10 10 CBCE C[C@@H]1[C@](NCCN=[N+]=[N-])(C(=O)O)CCS1(=O)=O 393863948 MEDREOCYGCCXAL-SVRRBLITSA-N 262.291 -0.083 10 10 CBCE COc1ccc(CN[C@@H]2CN(C)NC2=O)c(O)c1 393908925 VEVDUBWBVXONJA-SNVBAGLBSA-N 251.286 -0.164 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@](O)(C(=O)O)C1 395324064 OBQMLNKLXGELLR-LBPRGKRZSA-N 282.252 -0.456 10 10 CBCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](CO)C1 1557711131 IMTLXPMNZGOQKL-NSHDSACASA-N 280.324 -0.225 10 10 CBCE NC1(C(=O)NCCc2ccc(O)c(O)c2)CC(O)C1 1879089689 NPUNHLGLUAJTGX-UHFFFAOYSA-N 266.297 -0.391 10 10 CBCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)CO 2027475400 RYZQZZZRALOGIZ-HQJQHLMTSA-N 255.270 -0.502 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCNC[C@@H]1O 2087724439 HHWOEYKITKTTAX-SKDRFNHKSA-N 266.297 -0.521 10 10 CBCE OCc1ccc(N2CCOC[C@H]2[C@H](O)CO)c(F)c1 2090129370 SEOQIBRWBMMWGF-QWHCGFSZSA-N 271.288 -0.124 10 10 CBCE CN[C@H]1COCCN(C(=O)c2cc(O)nc(O)c2)C1 2095855383 XJOSIZRNTHPPQL-SECBINFHSA-N 267.285 -0.447 10 10 CBCE COc1ccc(O)c(CN(CC(N)=O)CC(=O)O)c1 2136335524 BEMATYGTARGSIC-UHFFFAOYSA-N 268.269 -0.227 10 10 CBCE CN1C[C@H](C(=O)O)N(Cc2ccc(O)cc2O)CC1=O 2143807956 MPYAJMONWJMYGF-SNVBAGLBSA-N 280.280 -0.175 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2144024661 CENJXFROTGITDO-OKVQYTGBSA-N 278.308 -0.129 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2160714613 FYEJNLNZKAFQLV-MRHWKODTSA-N 275.308 -0.431 10 10 CBCE CN(C)C(=O)C1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188918099 BNDDOAQMOCNGDP-UHFFFAOYSA-N 280.280 -0.036 10 10 CBCE C[C@]1(CO)CNCCN1S(=O)(=O)Cc1ccc(N)cc1 2191769475 OWPBQMVFUGDFFR-CYBMUJFWSA-N 299.396 -0.245 10 10 CBCE COc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(CO)c1 2235969131 AAZSXIMTIOJIND-UONOGXRCSA-N 283.324 -0.518 10 10 CBCE Cc1cc(CN)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CO 2311715518 XVAORMANIRKAFL-UPJWGTAASA-N 252.314 -0.644 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2333979212 KOYXPXRIKMZZDH-PCDDKUFXSA-N 267.325 -0.049 10 10 CBCE [N-]=[N+]=NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O 6524808 VAGBIQTXMSHWJX-SHYZEUOFSA-N 253.218 -0.505 10 10 CBCE NCCCC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486841 RTIQVAUDYGBKOH-SECBINFHSA-N 282.296 -0.051 10 10 CBCE C[C@H](N)C(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 40486847 ITJWIBNTLYIIJY-POYBYMJQSA-N 268.269 -0.443 10 10 CBCE O=C1c2ccccc2C(=O)[C@@H]2[C@H]1NCCS2(=O)=O 105656878 AMLSULXNBKGZFV-CABZTGNLSA-N 265.290 -0.179 10 10 CBCE NC(=O)[C@@H]1COCCN1CCC(=O)Nc1ccc(N)cc1 158819648 QZZSJQYJYXNHBX-LBPRGKRZSA-N 292.339 -0.217 10 10 CBCE Nc1ccc(CCC(=O)N2C[C@@H](O)[C@H](O)C2)cc1 236349671 OTVBOSLHQUOISL-VXGBXAGGSA-N 250.298 -0.235 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2COC[C@H]2O)cc1 323542491 NGSPPDYMTIDJOT-VXGBXAGGSA-N 266.297 -0.086 10 10 CBCE Cn1cnnc1CN(CC(N)=O)Cc1ccc(N)cc1 689488778 PBYXGGGHLQQUQK-UHFFFAOYSA-N 274.328 -0.115 10 10 CBCE CN(C)C[C@@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 702230612 ZNDRJSRNYQNUEV-MRVPVSSYSA-N 268.269 -0.158 10 10 CBCE NC(=O)C1(C(=O)NCc2ccc(O)cc2O)CC1 1626837657 CAVAOVXEHMVBRT-UHFFFAOYSA-N 250.254 -0.021 10 10 CBCE CO[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1N 1876416287 UUSRJBOORKIMKF-NWDGAFQWSA-N 285.369 -0.244 10 10 CBCE NC[C@H]1C[C@H](O)CN1c1cc2c(cc1N)OCCO2 1876553534 MZYSAEGDUQPQOI-BDAKNGLRSA-N 265.313 -0.062 10 10 CBCE NC(=O)[C@H]1OCC[C@H]1NCc1ccc(O)c(O)c1 2053779293 GJNDEIYFMNWGMP-KCJUWKMLSA-N 252.270 -0.170 10 10 CBCE O=C(N[C@]1(CO)CCNC1)c1ccc(O)c(O)c1 2069741165 SFTJZSUGEDCGNN-GFCCVEGCSA-N 252.270 -0.448 10 10 CBCE C[C@H](CS(N)(=O)=O)NC(=O)CCc1ccc(N)cc1 2096646417 YUHNMQCACMWTDZ-SECBINFHSA-N 285.369 -0.005 10 10 CBCE Nc1cc2c(cc1N1CC[C@@H](O)[C@@H](O)C1)OCCO2 2132138340 SQPYTKRYDGBSON-MNOVXSKESA-N 266.297 -0.028 10 10 CBCE CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CNc3ccccc3N2)C1 2146526648 WLSHRMCDOZUDPG-XQQFMLRXSA-N 276.340 -0.316 10 10 CBCE Nc1ccc(OCC(=O)NC2[C@@H]3CS(=O)(=O)C[C@@H]23)cc1 2174708436 SGFBVUYDZSIYIY-GHMZBOCLSA-N 296.348 -0.193 10 10 CBCE Nc1ccc(CCC(=O)OCC(CO)(CO)CO)cc1 2179799339 NRYLJIFELATZCD-UHFFFAOYSA-N 283.324 -0.292 10 10 CBCE NC(=O)NCC1CN(c2ccc3c(c2)NC(=O)[C@@H]3O)C1 2187294006 QNTMBAYXTVHJAC-LLVKDONJSA-N 276.296 -0.223 10 10 CBCE N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188922204 FMPQXQWKQKQUFR-ZPRHFPMVSA-N 280.280 -0.352 10 10 CBCE COc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@@H]32)c(N)c1 2191616607 UXVAGVUDIGUJCB-AAEUAGOBSA-N 297.380 -0.147 10 10 CBCE CN1CCN(CCn2ccc3c(c2=O)CNCC3)C1=O 2236669490 SRYJKMLCNUCZPS-UHFFFAOYSA-N 276.340 -0.139 10 10 CBCE O=C1Nc2cc(N3CC[C@@H]3[C@@H](O)CO)ccc2[C@H]1O 2270697094 HVXJOVGBLUWJKV-GRYCIOLGSA-N 264.281 -0.396 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1ccc(O)cc1O 2332874377 XBYWNGSHIUKGML-GMTAPVOTSA-N 269.253 -0.912 10 10 CBCE COC(=O)CNS(=O)(=O)Cc1ccc(N)cc1 21513892 OKMQFHDCHGGVOF-UHFFFAOYSA-N 258.299 -0.139 10 10 CBCE CC(=O)C(=O)COC(=O)CN(C)C(=O)[C@H](C)n1cccn1 808507731 FVBPUZYIECEEEA-VIFPVBQESA-N 295.295 -0.396 10 10 CBCE NC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1544363965 ZDLWODKFOLCMNK-NSHDSACASA-N 280.280 -0.647 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2COC[C@@H]2N)cc1 2071694355 IHGAPFORMXSYCY-QWRGUYRKSA-N 251.286 -0.510 10 10 CBCE O=C(NC[C@@]12CN[C@@H](CO1)C2)c1ccc(O)c(O)c1 2089421535 GXGAABUCEBVDNY-NOZJJQNGSA-N 264.281 -0.042 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@H]2Cn3cnnc3CN2)C1 2112571416 PEEFJKSICLSCFP-IWSPIJDZSA-N 263.301 -0.985 10 10 CBCE CN1C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CC1=O 2132350128 KUIAQSUMKKGKCH-ZETCQYMHSA-N 266.253 -0.236 10 10 CBCE COc1ncc([C@H](NCCN=[N+]=[N-])C(N)=O)cn1 2255405878 AGMYJDRUPQBPKF-ZETCQYMHSA-N 251.250 -0.089 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]3[C@@H](O)CO)ccc21 2270707745 YHOSXMVXTJEMGN-SRVKXCTJSA-N 263.297 -0.430 10 10 CBCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1O 2289486810 AFWXHXYOGYUPHG-KNUWBNEDSA-N 282.340 -0.438 10 10 CBCE O=C(NCCCc1nn[nH]n1)c1cccc(O)c1O 392594492 GKJBYVOOKSYUBX-UHFFFAOYSA-N 263.257 -0.027 10 10 CBCE O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cc(O)nc(O)c1 702961272 TVWPFCMMTZZUQH-IMTBSYHQSA-N 268.225 -0.535 10 10 CBCE C[C@@H](NC(=O)c1ccc(O)c(O)c1)[C@H](O)C(=O)O 2056769336 ORQUUVUKFZPTSK-ANLVUFKYSA-N 255.226 -0.338 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC(C(=O)O)C(=O)O 2087725069 PMLRXOKDRIIETN-UHFFFAOYSA-N 269.209 -0.706 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CNC[C@@H]1O 2087727178 OQXXWAPJFKRDPZ-SKDRFNHKSA-N 266.297 -0.663 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1C[C@H]1CO 2101297954 IRBGHYGYTRYBIB-LPEHRKFASA-N 266.297 -0.535 10 10 CBCE NC(=O)[C@H]1CNC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 2151063260 HMJHDDKYXYVDEW-RKDXNWHRSA-N 279.296 -0.709 10 10 CBCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)[C@@H]1CC(=O)NC1=O 2171191655 BCULYKBRFSAUIY-MWLCHTKSSA-N 275.264 -0.477 10 10 CBCE C[C@@H]1CNC(=O)CN1C[C@H](O)COc1ccc(N)cc1 2181170864 GVHWOPTYAAKMCY-PWSUYJOCSA-N 279.340 -0.171 10 10 CBCE Cc1cccc(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1O 2204627545 UDMFEJOVCVTHFE-VIFPVBQESA-N 277.280 -0.085 10 10 CBCE Nc1cc2c(cc1N1CC[C@@H]1[C@@H](O)CO)NC(=O)CO2 2286231778 YTUQVKJVUGHWMC-KOLCDFICSA-N 279.296 -0.468 10 10 CBCE COCCN(CCO)C[C@H](O)COc1ccc(N)cc1 164206617 PJJVIPAMCVMCHJ-ZDUSSCGKSA-N 284.356 -0.051 10 10 CBCE O=C1CN(CC(=O)NCc2ccc(O)c(O)c2)CCN1 1150376767 COWXPIPDPUKCDS-UHFFFAOYSA-N 279.296 -0.854 10 10 CBCE C[C@H](NC(N)=O)C(=O)NCc1cc(O)ccc1O 1637125889 GCPNINUZYBLUQY-LURJTMIESA-N 253.258 -0.229 10 10 CBCE COc1ccc(N2C[C@@H](N)C[C@@H](C(N)=O)C2)c(N)c1 1876299787 UKZKFAUZLZSYAI-BDAKNGLRSA-N 264.329 -0.084 10 10 CBCE C[C@@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 1893299918 IYAFICIGDHVREW-PRHODGIISA-N 268.269 -0.549 10 10 CBCE NC(=O)C1(O)CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 1915249225 UIFWMKYXQNEMMK-SECBINFHSA-N 296.714 -0.672 10 10 CBCE Nc1ccc(CN2C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C2=O)cc1 1924759319 QJZFWKMCJHNMCK-GHMZBOCLSA-N 294.332 -0.202 10 10 CBCE C[C@H](CS(N)(=O)=O)NCc1ccc(O)c(O)c1O 2035455014 SVHJMNBGQRLZOM-ZCFIWIBFSA-N 276.314 -0.430 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3CC[C@@H]3C(N)=O)cc21 2089367789 BNQSVLVWOHELHR-KOLCDFICSA-N 261.281 -0.240 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H](O)C[C@H]1O 2108710467 XKBKEANRVIFIFC-FXPVBKGRSA-N 267.281 -0.359 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H](O)C[C@H]1O 2108710468 XKBKEANRVIFIFC-IQJOONFLSA-N 267.281 -0.359 10 10 CBCE N[C@H]1C[C@@H](O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 2111799447 BTFRMSUNZJDPHM-VHSXEESVSA-N 266.297 -0.439 10 10 CBCE O=C(N[C@H]1CCNC[C@H]1CO)c1ccc(O)c(O)c1 2116265033 IPUQMKABQKBTGI-UWVGGRQHSA-N 266.297 -0.202 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)CC12CNC2 2130066650 UKTMNOAFBBQRDE-VIFPVBQESA-N 264.281 -0.353 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](O)C[C@@H]1CO 2132349767 HBIOZBWBRHXPGU-SFYZADRCSA-N 269.253 -0.629 10 10 CBCE CC1(C(N)=O)CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132414139 UKYNCKTWGASSOH-UHFFFAOYSA-N 266.253 -0.249 10 10 CBCE Nc1ccc(OC[C@@H](O)CN2C[C@@H](O)C[C@@H](O)C2)cc1 2161397291 QUBXOWSCABVZME-XQQFMLRXSA-N 282.340 -0.564 10 10 CBCE O=C(NCCc1c[nH]nc1O)c1cc(O)nc(O)c1 2231745361 PDUTUKMVUZRRIK-UHFFFAOYSA-N 264.241 -0.106 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2311711279 PTRUHHNAZRIZEB-TUAOUCFPSA-N 256.277 -0.813 10 10 CBCE O=C1Nc2cc(N3C[C@@H]4C[C@H]3[C@H](O)[C@H]4O)ccc2[C@@H]1O 2354474674 QCGDYPAUJMUPSJ-LGHWBWGJSA-N 276.292 -0.398 10 10 CBCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CC(N)=O 37801181 LPAHOBXGURJJNO-GFCCVEGCSA-N 278.356 -0.086 10 10 CBCE C[C@]1(C(=O)O)COC[C@@H]1NC(=O)c1cc(O)nc(O)c1 90569547 CZXYVPMXRLHMLP-MADCSZMMSA-N 282.252 -0.288 10 10 CBCE C[C@@H](N)[C@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 132702067 ISZWXTJFPMHDSB-VXNVDRBHSA-N 267.285 -0.319 10 10 CBCE CN(C)C[C@@H](CN)NC(=O)c1cccc(O)c1O 716775154 NUNAXOKCOZXJNJ-MRVPVSSYSA-N 253.302 -0.284 10 10 CBCE CNCCOCCNC(=O)COc1ccc(N)cc1 1876522945 HSAJHCGRSNKQKN-UHFFFAOYSA-N 267.329 0.000 10 10 CBCE C[C@@H](N)c1ccc(N2CC(O)(C(N)=O)C2)c(F)c1 1915249401 XNAPRFAVIKSNNC-SSDOTTSWSA-N 253.277 -0.118 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1 2029659311 GVMYIVZPLSECSJ-CHWSQXEVSA-N 252.314 -0.296 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CC3)C1 2038244160 CIQCNRFADAISTG-ZJUUUORDSA-N 250.306 -0.103 10 10 CBCE NC1(CNC(=O)c2cc(O)c(O)c(O)c2)COC1 2068618088 NPBSDHPFXXRPMB-UHFFFAOYSA-N 254.242 -0.739 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN([C@H]2CC(CO)(CO)C[C@@H]2O)C1 2085480854 RNLCSOLYCURTHN-UTLUCORTSA-N 256.306 -0.135 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1NCC[C@H](O)[C@H]1O 2127598639 JEHBCPYRVOSKOQ-QJPTWQEYSA-N 266.297 -0.908 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@]2(CO)C[C@]2(CO)C1 2146306499 PQZIADGQRPSMKP-BETUJISGSA-N 280.280 -0.690 10 10 CBCE COC1(CO)CN(CC(=O)N(C)c2ccc(N)cc2)C1 2157302519 AALRQTCIEMWZJM-UHFFFAOYSA-N 279.340 -0.075 10 10 CBCE N[C@H]1CC(C(=O)N2CC(=O)Nc3ccccc32)=C[C@H]1O 2188020774 LNNBIDUGLTYLRT-JOYOIKCWSA-N 273.292 -0.010 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1OC 2226801677 GVVCCOHUPJNCAL-GBIKHYSHSA-N 269.297 -0.394 10 10 CBCE Oc1cc2c(cc1O)CN([C@@H]1CNC[C@H]1O)CC2 2318671617 PUOZLNKBGMQMAS-ZWNOBZJWSA-N 250.298 -0.211 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H]3CO)ccc21 2335180120 GNTSXTXEVMEBTJ-HOTUBEGUSA-N 263.297 -0.430 10 10 CBCE CS(=O)(=O)N1CCN(c2ccc(N)cc2)C(=O)C1 84649134 GQIURVYXIGYWKH-UHFFFAOYSA-N 269.326 -0.123 10 10 CBCE NCC1(O)CCN(C(=O)c2cc(O)nc(O)c2)CC1 397119280 YAPXSVXWZXFLRL-UHFFFAOYSA-N 267.285 -0.581 10 10 CBCE O=C1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CN1 1466600942 CKEUHANAOVABJF-QMMMGPOBSA-N 250.254 -0.355 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1(CCO)CNC1 2087725177 QZDMWAWCBQQKKP-UHFFFAOYSA-N 266.297 -0.519 10 10 CBCE CC(C)(NC(=O)c1cc(O)nc(O)c1)[C@H](O)C(=O)O 2120347204 OWSKQBBWSZFMNW-MRVPVSSYSA-N 270.241 -0.553 10 10 CBCE C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc(O)ccc1O 2121364774 QLHYKRGNESEUMH-HNBZJPLGSA-N 287.337 -0.094 10 10 CBCE Cn1[nH]c(CN)nc1=NC(=O)c1ccc(O)c(O)c1 2126734951 WJJYCHXTTAIAIU-UHFFFAOYSA-N 263.257 -0.641 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@@]23CNC[C@@H]2C3)cc1 2238858939 STGBAJFDOXZFNH-GWCFXTLKSA-N 297.380 -0.071 10 10 CBCE CO[C@H](CO)CNC(=O)COc1ccc(N)cc1 2263470283 MBHVGVGCAZMAIU-NSHDSACASA-N 254.286 -0.229 10 10 CBCE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccc(O)c(C)c1 2270520433 GNXFBXGXZDJQKD-SECBINFHSA-N 288.325 -0.057 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2332921194 YRGMXTOCOMOFQB-XQQFMLRXSA-N 270.304 -0.552 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)C[C@@H]1CO 698139152 SKNPDBXUUALYOC-HTQZYQBOSA-N 254.242 -0.940 10 10 CBCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1=O 1444611489 ASAZMLGJAMBYCA-UHFFFAOYSA-N 264.281 -0.059 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CO[C@H]3CNC[C@@H]23)C1 2049780764 MVMYMHCYBWJAON-GBVMLCMLSA-N 252.314 -0.514 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC(F)(CO)C1 2068579314 XAXLJVHSFRYQCH-UHFFFAOYSA-N 257.217 -0.040 10 10 CBCE OCC(CO)(CO)NCc1ccc2c(c1)CCCO2 2087529577 CCHYODSTFDOUFL-UHFFFAOYSA-N 267.325 -0.183 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N 2089911148 MUFZRLGRRQHKHS-VHSXEESVSA-N 265.313 -0.189 10 10 CBCE Nc1ccc(OCCN2C[C@H](O)[C@H](O)[C@H]2CO)cc1 2136337744 IFBNAPXMUWBHPX-FRRDWIJNSA-N 268.313 -0.954 10 10 CBCE COc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1CO 2139700545 LBZVALVTGQOLMT-GMXVVIOVSA-N 269.297 -0.910 10 10 CBCE NCCC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188926225 YDXJKTULRHWYLV-ZETCQYMHSA-N 284.268 -0.275 10 10 CBCE Nc1ccc(OCCC(=O)NCCC2(O)CNC2)cc1 2191756362 RSSZZKPHGVZOMA-UHFFFAOYSA-N 279.340 -0.122 10 10 CBCE N=c1nnc(OC[C@@H]2CNCC23CCCC3)n[nH]1 2219011976 ALKXCFCVVWMSEM-QMMMGPOBSA-N 250.306 -0.162 10 10 CBCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1c(O)cccc1F 2332871758 KFCAYPHKTAVOPL-GMTAPVOTSA-N 271.244 -0.478 10 10 CBCE COc1ccc(N2CCNC[C@@H]2CC(N)=O)c(N)c1 2343271684 POVUZUUVHPFBJX-VIFPVBQESA-N 264.329 -0.069 10 10 CBCE CN(C(=O)c1cccc(O)c1O)[C@@H]1CNC[C@H]1O 126652994 UURZMDBUEIZSAY-PSASIEDQSA-N 252.270 -0.498 10 10 CBCE COCC1(O)CN(CC(=O)Nc2ccc(N)cc2)C1 384132099 LLTZVWJJQULYCN-UHFFFAOYSA-N 265.313 -0.100 10 10 CBCE Nc1ccc(CC(=O)NC[C@H](O)CC(=O)O)cc1 398437875 YGMRKVRPOCYNCU-SNVBAGLBSA-N 252.270 -0.237 10 10 CBCE CN(C)C[C@H](CO)NC(=O)c1ccc(O)c(O)c1 716748570 FCQFRFYAXWMDLE-SECBINFHSA-N 254.286 -0.250 10 10 CBCE O=C(NCc1ccc(O)cc1O)C1CS(=O)(=O)C1 1643104455 ZMKSIKBIIVZKNQ-UHFFFAOYSA-N 271.294 -0.241 10 10 CBCE O=C(O)c1cc(O)ccc1NS(=O)(=O)N1CC(O)C1 1914179533 LQSNLGJBWZQGTL-UHFFFAOYSA-N 288.281 -0.576 10 10 CBCE COc1cc(C(=O)N[C@@H](CN)CO)cc(OC)n1 2062352825 OPQRUFJRNCCFIN-QMMMGPOBSA-N 255.274 -0.852 10 10 CBCE CC(C)(NC(=O)c1cc(O)c(O)c(O)c1)C(N)=O 2068565696 DXSURUQCJKGUJZ-UHFFFAOYSA-N 254.242 -0.203 10 10 CBCE O=C(CCNO)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 2163549739 ZQFFCLYVMGDFRK-MRVPVSSYSA-N 284.268 -0.421 10 10 CBCE NC(=O)[C@H]1OCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2174106396 HOAYGNDQIVASIG-QWRGUYRKSA-N 299.352 -0.669 10 10 CBCE Nc1ccc(N2C(=O)N[C@H](C3CS(=O)(=O)C3)C2=O)cc1 2197517367 NWUJSZFVLSNNKM-SNVBAGLBSA-N 295.320 -0.262 10 10 CBCE COc1cccc(CN2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)c1O 2200865690 SIAKUGUQUYWDGN-PTOFAABTSA-N 283.280 -0.609 10 10 CBCE OCc1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)c(F)c1 2225726474 KSZVDKBODJBLST-CHWSQXEVSA-N 271.288 -0.388 10 10 CBCE Cc1cc([C@@H](C)N)ccc1N1C[C@H](O)[C@H](O)[C@@H]1CO 2232102842 QSTXXHLHNVGECQ-IGJVIKARSA-N 266.341 -0.083 10 10 CBCE Cc1cc([C@@H](C)O)ccc1N1C[C@H](O)[C@H](O)[C@H]1CO 2232104429 KOYXPXRIKMZZDH-WBMYTEFPSA-N 267.325 -0.049 10 10 CBCE N=C(NO)c1cnc(SC2=NC(=O)CC(=O)N2)s1 2264162780 VTDHQUPBCXJVQO-UHFFFAOYSA-N 285.310 -0.058 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CO[C@@H]2CNC[C@@H]21 2332131234 XGFZWIDQVMEILB-DVVUODLYSA-N 262.313 -0.234 10 10 CBCE CN1CCN(C(=O)c2cc(O)nc(O)c2)[C@H](CN)C1 122572340 RSXFCWDVLSJGHM-SECBINFHSA-N 266.301 -0.792 10 10 CBCE NC(=O)[C@H]1CC[C@@H](CNC(=O)c2cccc(O)c2O)O1 1622786961 GIIJXMOZBULYQF-OIBJUYFYSA-N 280.280 -0.140 10 10 CBCE NC(=O)C1(O)CN(CCCOc2ccc(N)cc2)C1 1915222773 GIFWRWWXGCORIB-UHFFFAOYSA-N 265.313 -0.430 10 10 CBCE CN1CCN(CC(=O)Nc2ccc(N)cc2)C(=O)C1 2114752346 YJYKZNAFUWVREH-UHFFFAOYSA-N 262.313 -0.019 10 10 CBCE O=C(N[C@@H]1CNCC[C@@H]1CO)c1ccc(O)c(O)c1 2116269392 MXOPIFTWDFTBRZ-NXEZZACHSA-N 266.297 -0.202 10 10 CBCE O=C(NC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1cccc(O)c1O 2118058132 WJFMUFMTSSQWCP-HTQZYQBOSA-N 283.305 -0.129 10 10 CBCE CN1C[C@H]2C(=O)N(c3ccc(N)cc3)C(=O)N2CC1=O 2143798861 DQSGDDOXVGEKQT-JTQLQIEISA-N 274.280 -0.122 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCNC[C@H]1CO 2172905720 VRXYEDURWGSHTD-QWRGUYRKSA-N 280.324 -0.273 10 10 CBCE O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)c1cc(O)nc(O)c1 2177448184 RLHWQQNVNWTXHH-JGVFFNPUSA-N 282.252 -0.457 10 10 CBCE NC(=O)NCC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2187287707 FRTWBCBPTNRRGE-UHFFFAOYSA-N 298.368 -0.301 10 10 CBCE O=C(NC1(C(=O)O)CC(O)C1)c1cc(O)c(O)c(O)c1 2193457796 YTLFSGSNASHZAH-UHFFFAOYSA-N 283.236 -0.489 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)cc1 2200908449 WRRIGJNBAQVXAB-XQQFMLRXSA-N 280.324 -0.308 10 10 CBCE Nc1ccc(OCCCN2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2201037933 PTNLHECFUWACIB-IHRRRGAJSA-N 282.340 -0.564 10 10 CBCE Cc1cccc(CNC(=O)[C@@]2(N)CCS(=O)(=O)C2)c1O 2204608503 FJUVGWTWTOYQIX-CYBMUJFWSA-N 298.364 -0.167 10 10 CBCE Cc1cc(N2CCNC(=O)[C@H]2C(N)=O)ccc1[C@H](C)N 2285123337 DHHCNPRZZDCCCQ-JOYOIKCWSA-N 276.340 -0.195 10 10 CBCE CC(CO)(CO)CNCc1ccc(O)c(O)c1O 393895867 WIZFGDMCTAAODA-UHFFFAOYSA-N 257.286 -0.116 10 10 CBCE NC(=O)[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H]1C(N)=O 693452510 FVSVWLHASHHGPW-NXEZZACHSA-N 281.287 -0.450 10 10 CBCE COCCN1C[C@@H](C(=O)NCCN=[N+]=[N-])CC1=O 701264253 PZDSGBGZZCMVAX-QMMMGPOBSA-N 255.278 -0.092 10 10 CBCE CN(C)C[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 716722484 HSYQFGUOOZZPFV-GFCCVEGCSA-N 287.385 -0.389 10 10 CBCE NC(=O)c1nccnc1C(=O)NCc1c(O)cccc1O 1304053244 FQJRBBLYVLIICJ-UHFFFAOYSA-N 288.263 -0.083 10 10 CBCE CC(C)S(=O)(=O)C[C@](C)(NCCN=[N+]=[N-])C(N)=O 2051044261 PUEHFBANXJJBOT-VIFPVBQESA-N 277.350 -0.047 10 10 CBCE Nc1ccc(NC(=O)CN2CCN(C=O)CC2)cc1 2106662587 QRWGTLOIYYTAQQ-UHFFFAOYSA-N 262.313 -0.019 10 10 CBCE N[C@@H]1C[C@H](O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 2111799448 BTFRMSUNZJDPHM-ZJUUUORDSA-N 266.297 -0.439 10 10 CBCE Nc1ccc(CCC(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)cc1 2165122855 OLFZHPYVXGVZTG-XWUBHJNHSA-N 280.324 -0.827 10 10 CBCE CNC1(C(N)=O)CN(c2cc3c(cc2N)OCCO3)C1 2191614254 AHNBNSJTVYRSJX-UHFFFAOYSA-N 278.312 -0.697 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H](O)[C@@H](O)[C@H]2CF)cc1 2205607221 FAJHQNDTLFUFRD-MDZLAQPJSA-N 283.303 -0.417 10 10 CBCE CC(CO)(CO)C(=O)NCCc1ccc(O)c(O)c1 2264549062 FBQDLYIGFIFDDK-UHFFFAOYSA-N 269.297 -0.253 10 10 CBCE NC[C@H](C(=O)O)N1CCc2cc(O)c(O)cc2C1 2318663077 FSIRXYKYPVPHMJ-SECBINFHSA-N 252.270 -0.132 10 10 CBCE CC(=O)NCCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40460239 CIWBIDSFSSFVQM-JTQLQIEISA-N 281.312 -0.780 10 10 CBCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(CCO)CCO 40694911 UEQCPBJSGHDCFZ-JTQLQIEISA-N 267.329 -0.118 10 10 CBCE COC(=O)[C@@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 227226447 WZNZQBIDEAGRGF-JTQLQIEISA-N 288.325 -0.778 10 10 CBCE O=C(NC[C@H]1CNCCO1)c1ccc(O)c(O)c1 236564459 ARPFGEUCPCZBFL-SECBINFHSA-N 252.270 -0.184 10 10 CBCE C[C@@](O)(CO)CNC(=O)/C=C\c1ccc(O)c(O)c1 801974027 MBUJFXUUGYAWPN-DXTPNHAXSA-N 267.281 -0.030 10 10 CBCE Nc1ccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1 2057792052 MLRGETSUHKPHKO-JHEVNIALSA-N 252.314 -0.539 10 10 CBCE O=C1N[C@@H]2CN(c3ccc(CO)c(Cl)c3)C[C@H]2NC1=O 2166791649 VGBBCYFBIJXURQ-GHMZBOCLSA-N 295.726 -0.365 10 10 CBCE C[C@H](NC(=O)[C@@H]1NCC[C@@H](O)[C@H]1O)c1ccccc1O 2192628223 NVXYQZLVFKURPO-BXGBBSSXSA-N 280.324 -0.347 10 10 CBCE C[C@H](c1c(O)cccc1O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)O 2200865270 ROMMCYBACBZUSO-WNGZGUMSSA-N 283.280 -0.351 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2273786812 KAZUZCMYPZJKNG-KWCYVHTRSA-N 266.341 -0.444 10 10 CBCE Nc1ccc(O)c(CN2C[C@@H]3OC[C@@H](CO)O[C@H]3C2)c1 2279883115 RRDGFPWXBOGOKG-XBFCOCLRSA-N 280.324 -0.065 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1C 2332923185 NMEKBUUNEXUPNJ-MJBXVCDLSA-N 266.341 -0.383 10 10 CBCE O=C(CN1CCO[C@@H](CO)C1)c1ccc(O)c(O)c1 168199952 BTBMPRCTPAVUFO-SNVBAGLBSA-N 267.281 -0.026 10 10 CBCE O=C(NCCc1nc(=O)o[nH]1)c1cccc(O)c1O 392261467 RUEFIWSBHDRWKK-UHFFFAOYSA-N 265.225 -0.253 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](CO)[C@H](CO)C1 704473079 NTXFKGVMMNYRAX-UWVGGRQHSA-N 267.281 -0.229 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H](O)[C@H](O)C1 1638749980 KYNCDONENVYCCD-ZSPDNNCOSA-N 267.281 -0.359 10 10 CBCE CO[C@@H]1CNC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1876405723 HIJRRMFRHLHQHD-NWDGAFQWSA-N 285.369 -0.325 10 10 CBCE NC(=O)C1(CNC(=O)Cc2ccc(N)cc2)CNC1 1876509402 OJYVSWBOQRMSKG-UHFFFAOYSA-N 262.313 -0.998 10 10 CBCE Nc1ccc(NC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(=O)O)cc1 1924750036 CLBBWZYBONLQJT-VHSXEESVSA-N 298.320 -0.047 10 10 CBCE O=S1(=O)C[C@@H](NCc2ccc(O)c(O)c2)[C@@H](O)C1 2057721753 WCRNLCQGUXLLSF-KCJUWKMLSA-N 273.310 -0.655 10 10 CBCE OCC(CO)(CO)CNCc1ccc(O)c(O)c1 2059274829 NFIFSVXZAOZSCG-UHFFFAOYSA-N 257.286 -0.849 10 10 CBCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3COCO3)c2n1 2063140807 ZHJPENAFFSDIJR-QMMMGPOBSA-N 278.268 -0.154 10 10 CBCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1 2080937038 BNCMSSBVQCCQQL-MHNYQROPSA-N 253.298 -0.357 10 10 CBCE CN(Cc1nn[nH]n1)C(=O)Cc1ccc(O)c(O)c1 2087724162 CWCIDDHHLPPIKQ-UHFFFAOYSA-N 263.257 -0.188 10 10 CBCE Nc1ccc(CCN2CC3(C2)OC[C@@H](O)[C@@H]3O)cc1 2127256836 DSWKTOMXQYAFRI-OLZOCXBDSA-N 264.325 -0.382 10 10 CBCE N[C@@H]1C[C@H](O)[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 2152800519 DSBTYCGPPUUQKK-NHCYSSNCSA-N 280.324 -0.145 10 10 CBCE O=C(NC[C@@H]1C[C@H]2COC[C@@H]2N1)c1cc(O)nc(O)c1 2153855584 QRVOMHPQADMNEH-GUBZILKMSA-N 279.296 -0.401 10 10 CBCE CCNCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2184137931 RHGSRELBQRQBBR-GFCCVEGCSA-N 276.340 -0.414 10 10 CBCE C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C2(CC2)C(=O)N1 2188554116 PQSUQDHKURGLJK-ZETCQYMHSA-N 277.280 -0.014 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(C(=O)COc3ccc(N)cc3)C[C@H]21 2201314374 XIPSHFXXELBBEC-PJXYFTJBSA-N 275.308 -0.163 10 10 CBCE COc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)ccc1CN 2333188052 SRLBEJBOEJNXLM-LOWVWBTDSA-N 268.313 -0.943 10 10 CBCE COc1cc2c(c(O)c1OC)[C@@H]([C@@H](O)CO)NCC2 75823311 BJRJXDNNDMHECU-GZMMTYOYSA-N 269.297 -0.051 10 10 CBCE CN1CCN(NC(=O)[C@@]23CC[C@@H](C(=O)C2=O)C3(C)C)CC1 101103573 GYXQAKMAYKIWSY-ZUZCIYMTSA-N 293.367 -0.161 10 10 CBCE CN(C(=O)C[S@](=O)CC(N)=O)c1ccc(N)cc1 305946894 GSNRPPWYDHPJIE-GOSISDBHSA-N 269.326 -0.534 10 10 CBCE C[C@@H](O)CN(CCO)CC(=O)N(C)c1ccc(N)cc1 313473467 GERFSVWUWDLPEP-LLVKDONJSA-N 281.356 -0.093 10 10 CBCE CNC(=O)C1CN(c2cc3c(cc2N)OCC(=O)N3)C1 381977173 XNKSKAQDNZROCO-UHFFFAOYSA-N 276.296 -0.218 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](CO)[C@@H](CO)C1 705321199 XGJVTZGBMDEOAC-DTORHVGOSA-N 267.281 -0.229 10 10 CBCE CN[C@H](C)c1ccc(N(CC(N)=O)CC(N)=O)cc1 723164296 AOBZXUSROXJLFB-SECBINFHSA-N 264.329 -0.256 10 10 CBCE CC(=O)C(=O)COC(=O)Cc1nnn(C(C)(C)C)n1 1346790370 ARTATAPUGPOKAN-UHFFFAOYSA-N 268.273 -0.328 10 10 CBCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)N2CC(O)C2)C1 1912144659 WSDAROZEECJEPE-ZETCQYMHSA-N 261.307 -0.318 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912200318 GCGVYLUMKVYBQC-ZETCQYMHSA-N 276.322 -0.706 10 10 CBCE O=C1C[C@H](c2cc(O)c(O)c(O)c2)[C@@H](C(=O)O)C(=O)N1 1951736669 SASVCIRMTOPBNA-MLUIRONXSA-N 281.220 -0.366 10 10 CBCE COC1CN(S(=O)(=O)Nc2ccc(O)cc2N)C1 2043669591 MNAIFQNXPRXFIO-UHFFFAOYSA-N 273.314 -0.038 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@H](F)C1 2068566250 IRHDCCGZLLNBHP-MUWHJKNJSA-N 257.217 -0.042 10 10 CBCE CNC[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2068622651 YZPTXNPBOTXHED-ZETCQYMHSA-N 256.258 -0.887 10 10 CBCE O=C1NCC2(CN(CC(=O)c3ccc(O)c(O)c3)C2)N1 2177692202 SZYVLGJIARVBDC-UHFFFAOYSA-N 277.280 -0.352 10 10 CBCE O=C(c1cccc(O)c1O)N1CC2(C1)OC[C@@H](O)[C@H]2O 2183721005 DXRXUCGLYKQBQN-MWLCHTKSSA-N 281.264 -0.956 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](N)[C@@H]3COC[C@H]32)cc1 2191672471 YFAYOBPKRIAALN-RWMBFGLXSA-N 277.324 -0.168 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@H](O)[C@@H]1CF 2205598684 GKHACDNYQZFCLX-JMOVZRAMSA-N 287.243 -0.681 10 10 CBCE N=c1nnc(OC[C@H]2CNC[C@@H]2C(F)(F)F)n[nH]1 2219017564 NJWHIEVXFYRPBD-UHNVWZDZSA-N 264.211 -0.544 10 10 CBCE O=S1(=O)C[C@@H](O)[C@H](NCc2ccccc2O)C1 228414568 FXNVCSXPBFIGCZ-MWLCHTKSSA-N 257.311 -0.360 10 10 CBCE C[C@]1(CO)C[C@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 704639102 FGDUDWMUETUZQA-DUFXMDAXSA-N 277.324 -0.040 10 10 CBCE C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)c1ccccc1O 1643745424 OFBBVAVPVJAKMR-QMMMGPOBSA-N 289.295 -0.040 10 10 CBCE O=C(NCCN1CCOCC1)c1cc(O)c(O)c(O)c1 1865875849 KBOGRVIELNWCJZ-UHFFFAOYSA-N 282.296 -0.135 10 10 CBCE O=C(NC1([C@@H](O)CO)CC1)c1cc(O)nc(O)c1 2069744508 QJSIVJKANLGJRM-ZETCQYMHSA-N 254.242 -0.892 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@@H]2N)cc1 2071667635 NELJXAIZWCFJMD-QWRGUYRKSA-N 271.342 -0.333 10 10 CBCE COc1ccc(O)c(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1 2108832125 OHXIBHPSHMAUQZ-IXOXFDKPSA-N 269.297 -0.655 10 10 CBCE Nc1ccc(CC(=O)N2CC(O)(CC(=O)O)C2)cc1 2110638778 SCYKWOCUJPUSQR-UHFFFAOYSA-N 264.281 -0.141 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2CNC(=O)O2)cc1 2129930676 ABPKIGASFMTDDM-JTQLQIEISA-N 265.269 -0.128 10 10 CBCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc2c(c1)CC[C@H]2O 2136297090 WJPRJFRZJAYSAT-MQYQWHSLSA-N 265.309 -0.431 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](CO)C[C@H]2CO)cc1 2146076165 HVXYCQHNOFJMKF-PWSUYJOCSA-N 280.324 -0.151 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H]3NC(=O)O[C@@H]3C2)cc1 2176928609 UFCUTGONMORWRG-GHMZBOCLSA-N 276.296 0.000 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)ccc1CO 2289482923 JGBKRSYPSUWCAV-OSMZGAPFSA-N 283.324 -0.662 10 10 CBCE COc1ccc(O)c([C@H](N)C(=O)NC[C@H](C)O)c1 83398453 SCCRNYAOIJTDKG-CPCISQLKSA-N 254.286 -0.102 10 10 CBCE C[C@H](O)CNC(=O)[C@@H](N)c1cc([N+](=O)[O-])ccc1O 83512710 LPSAJYSWYAKMGG-WKEGUHRASA-N 269.257 -0.203 10 10 CBCE NCc1ccc(N2CCOC[C@@H]2C(N)=O)c(F)c1 129288291 YYVLFQFLUWFQQU-LLVKDONJSA-N 253.277 -0.025 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2CONC2=O)cc1 393763636 OVPBZRWXBSWGHC-SECBINFHSA-N 271.298 -0.882 10 10 CBCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)S(N)(=O)=O 398372336 PUEKKXIGCMFPOL-ZCFIWIBFSA-N 274.298 -0.495 10 10 CBCE CN(Cc1nnnn1C)c1ccc2c(c1)NC(=O)[C@@H]2N 707673875 XZPNGWRSCPIOGN-LLVKDONJSA-N 273.300 -0.202 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@]12COC[C@H]1C2 718027035 RTGKIHAJISUGDY-BFVZDQMLSA-N 278.308 -0.127 10 10 CBCE O=C(NC[C@@H](O)Cn1ccnn1)c1cccc(O)c1O 1556947193 KOGOVRPZJIYJDY-MRVPVSSYSA-N 278.268 -0.520 10 10 CBCE N[C@@H](C(=O)O)[C@@H](O)c1ccc(N2CCOCC2)cc1 1951908299 VNLYWUVZWYEUIH-NEPJUHHUSA-N 266.297 -0.032 10 10 CBCE Cn1cc(C(=O)NCCN=[N+]=[N-])c(=O)n(C)c1=O 1963809644 UFBRRQHWCRBROB-UHFFFAOYSA-N 252.234 -0.876 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(O)CCNC1 2087726657 JRPLUPSOZOPHTF-CYBMUJFWSA-N 266.297 -0.519 10 10 CBCE COC[C@H](N)CCNC(=O)c1cc(O)c(O)c(O)c1 2132412338 CHVFVOUBBIJAJP-MRVPVSSYSA-N 270.285 -0.103 10 10 CBCE CN(C[C@@H](O)Cn1ccc2c(c1=O)CNCC2)C1CC1 2150800002 LUHOOTVZBIXZTP-CYBMUJFWSA-N 277.368 -0.051 10 10 CBCE Nc1ccc(CCNC(=O)[C@@H]2CN3CCN2CC3)cc1 2155737451 AFVRWVVUALUZOV-AWEZNQCLSA-N 274.368 -0.073 10 10 CBCE Nc1ccc(CCN2CCN(C[C@@H](O)CO)CC2)cc1 2178038376 UWMGYGNBYKPRCK-OAHLLOKOSA-N 279.384 -0.218 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](O)C[C@H]1CO 2200829746 KXSBBPHRFVJQNE-DTWKUNHWSA-N 283.280 -0.239 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@H](O)[C@H]2CF)ccc1CO 2205592493 XDNFAEOTGMWDFP-GRYCIOLGSA-N 286.259 -0.033 10 10 CBCE N=c1nnc(OC[C@@H]2CNC[C@H]2C(F)(F)F)n[nH]1 2219017562 NJWHIEVXFYRPBD-CRCLSJGQSA-N 264.211 -0.544 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CO[C@H]3CNC[C@@H]3O2)C1 2265041341 JHALNWYHYGLDAZ-ARACIDTASA-N 268.313 -0.992 10 10 CBCE C[C@H](NC(=O)[C@H](N)Cc1ccc(O)c(O)c1)C(=O)O 210476955 MBIIUMDOQSMHKJ-POYBYMJQSA-N 268.269 -0.443 10 10 CBCE NC(=O)[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H]1C(N)=O 1630581124 NXDFBQCFBCGACE-BQBZGAKWSA-N 283.309 -0.888 10 10 CBCE Nc1ccc(CC(=O)NC2CC(N)(C(=O)O)C2)cc1 1876439698 NAURXKBJFOSJCF-UHFFFAOYSA-N 263.297 -0.128 10 10 CBCE CN1C[C@H](NC(=O)c2ccc(O)c(O)c2)[C@H](N)C1 2029893328 KYVPTMXJWIPETM-BDAKNGLRSA-N 251.286 -0.531 10 10 CBCE O=C(NCc1ccccc1O)[C@@H]1CNC[C@H](O)C1 2037837508 SSQQKRXVSGGJFL-WDEREUQCSA-N 250.298 -0.021 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H](CO)CCCO 2046416360 DRTYKPCNBUDVCF-QMMMGPOBSA-N 253.302 -0.087 10 10 CBCE NC(=O)[C@@H]1CCN1C(=O)c1cc(O)c(O)c(O)c1 2068622110 UMXZBCZJXPSPSC-LURJTMIESA-N 252.226 -0.497 10 10 CBCE N[C@@H]1CCOC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2087729222 LETPHZZFVQKFEI-NXEZZACHSA-N 266.297 -0.127 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)C[C@@H]1CO 2089901569 MVNGLYNECKBTFU-IONNQARKSA-N 268.269 -0.692 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H](O)CN1 2091749694 ZUQQGRNIWVIOKX-NXEZZACHSA-N 266.297 -0.521 10 10 CBCE O=C(NC[C@@H]1COC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132348166 FSDQEOQIEFLADW-XCBNKYQSSA-N 269.253 -0.460 10 10 CBCE NC(=O)[C@@H]1CN(Cc2c(O)cccc2F)C[C@H]1C(N)=O 2160775944 IBOUOFNWGNERKB-HTQZYQBOSA-N 281.287 -0.450 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2CNCCOC2)cc1 2191665161 FESAWBLQWBFEOT-NSHDSACASA-N 279.340 0.000 10 10 CBCE CS(=O)(=O)[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(N)cc1 2192660763 VYROXRYJLVRRHS-WDEREUQCSA-N 298.368 -0.225 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](O)C[C@@H]2CO)cc1 2200833025 NYOBVKVIFWRPNW-VXGBXAGGSA-N 280.324 -0.008 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H](O)[C@@H]3CF)ccc21 2205601114 RLIWQLCZTXYWBA-BJDJZHNGSA-N 281.287 -0.482 10 10 CBCE CNCc1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(F)c1 2234099060 ZKILPAUVTSGGNE-UONOGXRCSA-N 284.331 -0.161 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@](O)(CO)[C@H](O)C2)cc1 2234107319 QMXBAZQGZZMKEQ-TZMCWYRMSA-N 280.324 -0.872 10 10 CBCE COCCNC(=O)[C@H](N)c1ccc(O)c(O)c1O 83414132 JFOHARZFDRQJGY-MRVPVSSYSA-N 256.258 -0.434 10 10 CBCE CC(CO)(CO)NC(=O)CCOc1ccc(N)cc1 125532071 MGWVROPQYODTEX-UHFFFAOYSA-N 268.313 -0.103 10 10 CBCE O=C1C[C@H](NC(=O)[C@@H]2CNc3ccccc3N2)CN1 229150667 MWOFMUWBCSOMTF-KWQFWETISA-N 260.297 -0.103 10 10 CBCE Nc1ccc(OCC(=O)N[C@@]2(CO)CCOC2)cc1 393893505 BWPDPFUVPCASGG-CYBMUJFWSA-N 266.297 -0.085 10 10 CBCE COC(=O)[C@@H](CO)NC(=O)Cc1ccc(N)cc1 707247936 CWISVWBPYFAVBW-SNVBAGLBSA-N 252.270 -0.539 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN[C@H](CCO)C1 710593256 HGPNFQJWOQFADN-SECBINFHSA-N 266.297 -0.106 10 10 CBCE NS(=O)(=O)CCCNC(=O)NCc1ccccc1O 1470654942 JUEDKFFPVQRFIQ-UHFFFAOYSA-N 287.341 -0.130 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CNC[C@@H]2O)cc1 1876401375 NWFCDVWNTDPVOC-JQWIXIFHSA-N 285.369 -0.732 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)N1CCC[C@@H](C(N)=O)C1 1912152121 PBJYFARTIDKAGC-SECBINFHSA-N 268.321 -0.048 10 10 CBCE NC(=O)C(F)(F)CNC(=O)c1cccc(O)c1O 2029282907 IXCHTDHJYCHTSF-UHFFFAOYSA-N 260.196 -0.052 10 10 CBCE Cc1cccc(O)c1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046512815 ZCECBNMAGSESME-MGAJPHDKSA-N 253.298 -0.355 10 10 CBCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2081010356 VJIOTECPNMTINN-SRVKXCTJSA-N 272.732 -0.299 10 10 CBCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](O)C3)ccc2[C@H]1O 2132171789 HCDAHNWVCGMRBY-SDDRHHMPSA-N 264.281 -0.396 10 10 CBCE CO[C@@H](CCN)CNC(=O)c1cc(O)c(O)c(O)c1 2132404055 OWTDBJISNCJIIK-QMMMGPOBSA-N 270.285 -0.103 10 10 CBCE CN(C)CC[C@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2144804735 AVMJFQQMTSIZDU-QMMMGPOBSA-N 283.284 -0.373 10 10 CBCE NC(=O)CO[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 2145381206 GPRHQFOBHQGCBG-SECBINFHSA-N 280.280 -0.186 10 10 CBCE CN1C[C@H](O)[C@H](N(CC(N)=O)Cc2ccc(N)cc2)C1 2156968500 DGXBCSKYWRYXIN-OLZOCXBDSA-N 278.356 -0.769 10 10 CBCE Nc1ccc(NC(=O)CN2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1 2160717220 RAVPMGRMPWEUKH-VAYSNVFOSA-N 277.324 -0.367 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H](O)C3)ccc21 2188639211 RDLIAABHEBBKIG-AVGNSLFASA-N 277.324 -0.169 10 10 CBCE Cc1nn[nH]c1CCNC(=O)c1cc(O)nc(O)c1 2226383706 QCEALNRWNITUMB-UHFFFAOYSA-N 263.257 -0.108 10 10 CBCE CCN[C@H]1C(=O)Nc2cc(N3CC(=O)NC(=O)C3)ccc21 116679909 DGSPOYNKXADKBA-CYBMUJFWSA-N 288.307 -0.248 10 10 CBCE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccc(O)c1O 126735310 OFNSQKNBBPRORB-VXNVDRBHSA-N 281.264 -0.154 10 10 CBCE Cc1cn([C@H]2C[C@H](OCN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O 196491685 DFFIDJGOWPMNJQ-DJLDLDEBSA-N 297.271 -0.222 10 10 CBCE O=C(N[C@@H]1COCC[C@@H]1O)c1ccc(O)c(O)c1 710866032 LJTIQTWETQFTOZ-BDAKNGLRSA-N 253.254 -0.023 10 10 CBCE CN(C)c1ccc(CNC(=O)C(=O)NC2CNC2)cc1 842034990 BAPVJKWPGRMHEG-UHFFFAOYSA-N 276.340 -0.543 10 10 CBCE NC(=O)NCC(=O)NCc1ccc(N2CCOCC2)cc1 920211663 HKTWRDJHSJKODI-UHFFFAOYSA-N 292.339 -0.192 10 10 CBCE COC(=O)COCC(=O)NCc1c(O)cccc1O 1178911595 NUEZRNPMFRCTBE-UHFFFAOYSA-N 269.253 -0.096 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@H](CO)[C@H](N)C2)cc1 1876495321 NRIWJFUHJHGJCR-WCQYABFASA-N 263.341 -0.021 10 10 CBCE O=C(CCO)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1879129271 CAIXNGBQCZROLT-QMMMGPOBSA-N 269.253 -0.408 10 10 CBCE C[C@@]1(CF)[C@H]2CC[C@@]1(C(=O)N1CCNCC1)C(=O)C2=O 2078859091 HRGLCSDUXNPOFS-FZZIBODNSA-N 282.315 -0.058 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](CO)C[C@@H]1CO 2089869945 JKLPXLSTKPIYGB-DTWKUNHWSA-N 267.281 -0.087 10 10 CBCE COc1cccc(CN[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1O 2177945635 UMYMRZNPRGNAPS-MHWZDGSBSA-N 283.324 -0.407 10 10 CBCE CNCc1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 2178041054 UNFGTGITSRRZQR-HNNXBMFYSA-N 279.384 -0.119 10 10 CBCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@@H]2N 2181210263 BBURSGPJNLTQLW-QJPTWQEYSA-N 277.324 -0.041 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)[C@H](O)[C@H]1CF 2205598687 GKHACDNYQZFCLX-WHFVKQHSSA-N 287.243 -0.681 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(N)c1 2273712818 ZAHYQFTUAJJUAX-OXHMUOHRSA-N 268.313 -0.572 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H](N)CC(N)=O)cc1 40825925 NBKDPGWFFFXOTQ-NSHDSACASA-N 264.329 -0.429 10 10 CBCE COc1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c(N)c1 693373216 WPDTUWMYXDRSSS-RKDXNWHRSA-N 278.312 -0.700 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)cs1 1118946595 HOUXXIFVLZKNNP-VDTYLAMSSA-N 256.283 -0.486 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCN1CCNC(=O)C1 1154006283 CCJLQOPGJHWAEG-UHFFFAOYSA-N 293.323 -0.812 10 10 CBCE CN(Cc1nnn(C)n1)C(=O)c1ccc(O)c(O)c1 1893007615 NOKVDGVBDGAJCE-UHFFFAOYSA-N 263.257 -0.107 10 10 CBCE O=C(c1cccc(O)c1O)N1CC(OCCO)C1 1965187474 GYILEKFKUOVKHC-UHFFFAOYSA-N 253.254 -0.069 10 10 CBCE C[C@@](CS(C)(=O)=O)(NCCN=[N+]=[N-])C(=O)O 1980822323 XZNSPJLVQQTTNZ-ZETCQYMHSA-N 250.280 -0.226 10 10 CBCE CN1CCN(C(=O)C2=C[C@@H](O)[C@@H](N)C2)c2cnccc21 2188033404 UIJPFWKXNQSQTK-GXFFZTMASA-N 274.324 -0.117 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1ccc(O)c(O)c1 2233862434 JJZCSBBOWAYMOQ-GGZOMVNGSA-N 283.280 -0.710 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2260758376 FHBCYOHOVFDEDQ-KGYLQXTDSA-N 253.298 -0.671 10 10 CBCE C[C@@H](O)CN(CCN)c1cc2c(cc1N)OCC(=O)N2 2285344156 KSQSCAXXGKNRPJ-MRVPVSSYSA-N 280.328 -0.254 10 10 CBCE N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1cc(O)c(O)c(O)c1)C2 2310735202 LUHOKFBBVBMHID-MHYGZLNHSA-N 250.254 -0.025 10 10 CBCE OC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc2c(c1)CCO2 2312393146 HBSRPHOEUIWEFU-GMXVVIOVSA-N 251.282 -0.476 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@@H](O)[C@@H]2O 2354478169 HUGHZEOLYAQBQH-QYAIJTBZSA-N 279.292 -0.407 10 10 CBCE C[C@@]1(C(=O)O)COC[C@H]1NC(=O)c1cc(O)nc(O)c1 90569550 CZXYVPMXRLHMLP-JMCQJSRRSA-N 282.252 -0.288 10 10 CBCE CNS(=O)(=O)CCNC(=O)[C@@H]1CNc2ccccc2N1 231013062 DALWRVOZXFHOLA-NSHDSACASA-N 298.368 -0.442 10 10 CBCE CN(C)C[C@@H](O)CN(C)C(=O)c1cc(O)nc(O)c1 690226646 WSDYBNBATSCUCI-SECBINFHSA-N 269.301 -0.513 10 10 CBCE CN(CCO)CCN(C)c1ccc2c(c1)NC(=O)[C@@H]2N 691350987 CUSJPYJTBBOERY-CYBMUJFWSA-N 278.356 -0.001 10 10 CBCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1 1135430320 NZIOCKCTZIDUPS-UHFFFAOYSA-N 250.254 -0.401 10 10 CBCE NC(=O)N[C@H](CO)C(=O)NCc1cccc(Cl)c1O 1640404992 KATASBLUPKLSIM-MRVPVSSYSA-N 287.703 -0.309 10 10 CBCE O=C(O)C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865875834 JXJZBAFAAKYBGV-YFKPBYRVSA-N 285.208 -0.539 10 10 CBCE Nc1ccc(CN2CCN(C[C@@H](O)CO)CC2)cc1 2121551754 UOOUEESAFMGQPM-CQSZACIVSA-N 265.357 -0.260 10 10 CBCE N[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1CO 2122380301 ZBYNKJLMWRCJOX-WCBMZHEXSA-N 266.297 -0.121 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CC[C@@H]2O 2128324410 DQNNSOFNUNPGLZ-NSHDSACASA-N 263.297 -0.557 10 10 CBCE C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(O)c(O)c(O)c1 2132348376 KELJUMSBUOCOOD-LURJTMIESA-N 289.309 -0.034 10 10 CBCE COC[C@H](O)CCNC(=O)c1cc(O)c(O)c(O)c1 2132348383 KIUVMTDVCIIQQD-MRVPVSSYSA-N 271.269 -0.069 10 10 CBCE Cc1cc(CO)ccc1N1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1 2166788441 HOUKBSQKPSEBQA-PHIMTYICSA-N 275.308 -0.709 10 10 CBCE OC[C@@H]1C[C@H](NCc2ccc(F)c(F)c2O)[C@H](O)[C@@H]1O 2177949388 RFZFWFVYKNEYOZ-OBRLSWLKSA-N 289.278 -0.137 10 10 CBCE COCCN(C(=O)c1cc(O)c(O)c(O)c1)C1CNC1 2188918769 HOVYGHUAPSEBHH-UHFFFAOYSA-N 282.296 -0.136 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1 2329326647 QTAQWLFZDVWXKQ-RETIQXCHSA-N 262.309 -0.236 10 10 CBCE NC(=O)CCN(CC(N)=O)Cc1ccc(N)cc1 35081207 PBIQBYIYCSJFCE-UHFFFAOYSA-N 250.302 -0.569 10 10 CBCE COC(=O)C1(O)CN(C(=O)c2cccc(O)c2O)C1 714474308 XIRIXJWPPPGKOZ-UHFFFAOYSA-N 267.237 -0.542 10 10 CBCE Nc1nnn(CC(=O)NCc2c(O)cccc2F)n1 1303875140 ASBCVVCFBMQCJO-UHFFFAOYSA-N 266.236 -0.584 10 10 CBCE CN(c1ccc(CN)cc1)[C@H]1CS(=O)(=O)C[C@H]1O 2038055565 AMHJSIGIRKRJJB-NWDGAFQWSA-N 270.354 -0.261 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CCOC[C@@H]1O 2046421377 HNMAUSNTGUVAJZ-UWVGGRQHSA-N 251.286 -0.071 10 10 CBCE C[C@@H](O)[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 2053799308 FAEDETOFMHWXQE-APPZFPTMSA-N 255.270 -0.502 10 10 CBCE O=C(O)[C@H](F)C1(O)CN(C(=O)c2cc(O)nc(O)c2)C1 2172300020 GLNGOTRLMRLRRG-QMMMGPOBSA-N 286.215 -0.898 10 10 CBCE O[C@H]1COC2(CN(c3ccc4c(c3)CC[C@H]4O)C2)[C@@H]1O 2184738117 PSEGFHVYDUSQHU-HZSPNIEDSA-N 277.320 -0.023 10 10 CBCE CSc1ncc(CNC(=O)[C@@H]2CNC(=O)CN2)s1 2257026311 LCGNQJXGQTXBLA-ZETCQYMHSA-N 286.382 -0.431 10 10 CBCE O=C1NC[C@H]2CCCN(C(=O)c3cc(O)nc(O)c3)[C@@H]12 2279214236 YRTPHSWAFCJHPP-RDDDGLTNSA-N 277.280 -0.157 10 10 CBCE COc1cc(OC)c(N2CC(O)(C(N)=O)C2)c(OC)c1 2287068269 KPBOWTWMKXAYOY-UHFFFAOYSA-N 282.296 -0.251 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3[C@@H](O)[C@@H]4O)ccc21 2354483891 FYEJNLNZKAFQLV-QQFYMYEKSA-N 275.308 -0.431 10 10 CBCE C[C@@H](CO)NS(=O)(=O)CCOc1ccc(N)cc1 70490603 KKNHCDHSOXWBBM-VIFPVBQESA-N 274.342 -0.052 10 10 CBCE COc1ccc(O)c([C@@H](N)C(=O)NC[C@H](C)O)c1 83398449 SCCRNYAOIJTDKG-WRWORJQWSA-N 254.286 -0.102 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCC(=O)NC1 111021094 JNMOILBAUNWLKR-ZJUUUORDSA-N 293.323 -0.638 10 10 CBCE Cc1cc(N(CC(N)=O)CC(N)=O)ccc1/C=C\C(=O)O 213067101 POHJJZJSGVMBOU-HYXAFXHYSA-N 291.307 -0.130 10 10 CBCE NC(=O)CC1CN(C[C@@H](O)COc2ccc(N)cc2)C1 382069037 FDPSSUQQEDOCMW-GFCCVEGCSA-N 279.340 -0.184 10 10 CBCE NS(=O)(=O)C1(C(=O)NCc2c(O)cccc2O)CC1 1178911550 MWZWTMNELJLIRC-UHFFFAOYSA-N 286.309 -0.465 10 10 CBCE CN1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CC1=O 1628408931 DENWZRCTLMVAPN-SECBINFHSA-N 264.281 -0.013 10 10 CBCE O=C(CCn1cnnn1)NCc1c(O)cccc1O 1639292802 RGEMULYLNVTBAE-UHFFFAOYSA-N 263.257 -0.209 10 10 CBCE NC(=O)[C@@H]1CNCCN1C(=O)Nc1ccc(N)cc1 1876152357 DWPNNCVXYJMQMG-JTQLQIEISA-N 263.301 -0.440 10 10 CBCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CC(=O)NC(=O)N1 1912191452 RSFYGTXPTFPDEK-LURJTMIESA-N 254.250 -0.257 10 10 CBCE Nc1ccc(CCNS(=O)(=O)N2CC[C@@H](O)C2)cc1 1914186168 YYFFEYGINLQNCV-GFCCVEGCSA-N 285.369 -0.288 10 10 CBCE NC(=O)C1(N)CCN(Cc2ccc(O)c(O)c2)CC1 2098048134 PPGBDVHVLYJCNR-UHFFFAOYSA-N 265.313 -0.124 10 10 CBCE COC1(C(N)=O)CN(C(=O)c2cccc(O)c2O)C1 2104902197 IULTYVCVQSVMJZ-UHFFFAOYSA-N 266.253 -0.576 10 10 CBCE NC(=O)N1CC(CNC(=O)c2cccc(O)c2O)C1 2124814167 QTSIKWMQQFSKDM-UHFFFAOYSA-N 265.269 -0.162 10 10 CBCE O=C1COCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132411964 ZDWZWDZWYZQYAQ-UHFFFAOYSA-N 267.237 -0.155 10 10 CBCE CN1CCc2cc([C@H](O)[C@H](N)c3nnn(C)n3)ccc21 2147914142 KJEALILSLXOYBX-RYUDHWBXSA-N 274.328 -0.064 10 10 CBCE NC(=O)C1[C@@H]2CN(C(=O)COc3ccc(N)cc3)C[C@@H]12 2201314373 XIPSHFXXELBBEC-GHMZBOCLSA-N 275.308 -0.163 10 10 CBCE [N-]=[N+]=NCCNC1(C(N)=O)C[C@H]2COC[C@@H](C1)N2 2257972728 VITCSZNIVGJHDE-JWHQNHQBSA-N 254.294 -0.739 10 10 CBCE C[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40482003 OUEPFYLEAOSZPV-APPZFPTMSA-N 282.296 -0.053 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC(=O)NC(=O)C1 97267558 JHDBBSQLDPZSDH-MRVPVSSYSA-N 276.296 -0.446 10 10 CBCE CCCOc1cc(N(CC(N)=O)CC(N)=O)ccc1N 111055876 OWONKWGENIMKNL-UHFFFAOYSA-N 280.328 -0.165 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 316010219 ABOLSWKFPXLRAA-ZYHUDNBSSA-N 250.298 -0.377 10 10 CBCE C[C@@H](C(N)=O)N(C)c1cc2c(cc1N)OCC(=O)N2 711087873 RBTDPALYLKDKLE-LURJTMIESA-N 264.285 -0.090 10 10 CBCE O=C(NCCn1ccnn1)c1cc(O)c(O)c(O)c1 1148581201 OXUQNQZPTQPXEH-UHFFFAOYSA-N 264.241 -0.175 10 10 CBCE CN1C(=O)C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1=O 1568122113 AJQFPUAXTGRGCK-AZVKUDOFSA-N 290.275 -0.016 10 10 CBCE CN(Cc1ccccc1O)C(=O)C(=O)NCC(N)=S 1877528726 IXMJWEPKJOHHEH-UHFFFAOYSA-N 281.337 -0.247 10 10 CBCE O=C(NC1(CO)CC(O)C1)c1cc(O)c(O)c(O)c1 1879587478 XSQROZSGHOCYEY-UHFFFAOYSA-N 269.253 -0.581 10 10 CBCE N[C@@H]1COC[C@H]1CNC(=O)c1ccc(O)c(O)c1 2036569411 UVFMGWFECJBOBX-RKDXNWHRSA-N 252.270 -0.199 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC(N2CC[C@H](O)C2)C1 2064761309 IIKXRHOXLDKVRG-LBPRGKRZSA-N 292.335 -0.082 10 10 CBCE CON(C(=O)c1cc(O)c(O)c(O)c1)C1CNC1 2068623116 DBPCEQUZKLCRGJ-UHFFFAOYSA-N 254.242 -0.221 10 10 CBCE Oc1cc2c(cc1CNCCn1cnnn1)OCO2 2090428825 VRSNHWVMBIVILI-UHFFFAOYSA-N 263.257 -0.103 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1F 2127252486 ODUMXDONACLUDE-RYUDHWBXSA-N 268.288 -0.405 10 10 CBCE O=C(C[C@@H]1CNC[C@@H]1O)NCCc1ccc(O)c(O)c1 2174342150 UFSZWMIUURIJSV-MFKMUULPSA-N 280.324 -0.273 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(CN)c1 2220410089 VCGLPDXMDKAZAM-GXFFZTMASA-N 252.314 -0.057 10 10 CBCE COc1ccc(N2CC(NS(C)(=O)=O)C2)c(CO)c1 2227709412 UCLAAUQDBHNMAA-UHFFFAOYSA-N 286.353 -0.075 10 10 CBCE O=C1Nc2cc(N3CC[C@@H]3[C@H](O)CO)ccc2[C@@H]1O 2270697096 HVXJOVGBLUWJKV-UTUOFQBUSA-N 264.281 -0.396 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1OC 2289357755 KTXNVTXGQHAIDK-PUYPPJJSSA-N 283.324 -0.146 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O 2329333756 YEYQEGQDTZTNBW-ROFGYOSQSA-N 265.265 -0.336 10 10 CBCE NC(=O)CCCNS(=O)(=O)Cc1ccc(N)cc1 37658392 ICRWIWRKVXLPAV-UHFFFAOYSA-N 271.342 -0.046 10 10 CBCE Nc1cc2c(cc1N1CCOC[C@H]1CO)NC(=O)CO2 167955163 UUILLILVDRYLBG-MRVPVSSYSA-N 279.296 -0.203 10 10 CBCE CNS(=O)(=O)CCNC(=O)COc1ccc(N)cc1 230977507 VBMDVAJLBYSXJW-UHFFFAOYSA-N 287.341 -0.687 10 10 CBCE CC(=O)NC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 387565727 LYXPOUQULJNOCO-UHFFFAOYSA-N 283.353 -0.081 10 10 CBCE Nc1ccc(OCCC(=O)N[C@H]2CONC2=O)cc1 393808540 ZJXGRYWFKJPNBX-JTQLQIEISA-N 265.269 -0.416 10 10 CBCE CN(C)C[C@@H](N)CNC(=O)c1cccc(O)c1O 717338602 JBFQMJPQYWDXMA-QMMMGPOBSA-N 253.302 -0.284 10 10 CBCE CCn1ncn(NC(=O)Cc2ccc(O)c(O)c2)c1=O 1450470227 RANJNJULXMOVIL-UHFFFAOYSA-N 278.268 -0.211 10 10 CBCE CCS(=O)(=O)NCC(=O)NCc1ccc(O)cc1O 1630302380 ZTOODRLPXIGGHH-UHFFFAOYSA-N 288.325 -0.347 10 10 CBCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCNC(=O)CO 1632681221 NMCPEPPQDOJGQN-VIFPVBQESA-N 296.323 -0.356 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)[C@@H](CO)C1 1642402631 ZHSWDXCYSZJHHU-BXKDBHETSA-N 267.281 -0.548 10 10 CBCE N[C@@H]1CC[S@](=O)(=NC(=O)c2cc(O)nc(O)c2)C1 2036856177 PZHNLSCVYLTLBJ-LWESTGQBSA-N 271.298 -0.168 10 10 CBCE C[C@@H](CO)S(=O)(=O)NCCc1ccc(O)c(O)c1 2040046029 SOXDILVOCFQSCM-QMMMGPOBSA-N 275.326 -0.060 10 10 CBCE O=C(C[C@H]1CNC[C@H]1O)NCc1ccccc1O 2054021972 JUHCWFGDWAVISV-CMPLNLGQSA-N 250.298 -0.021 10 10 CBCE CO[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1N 2058640688 WHCJLCRMWFPQGV-YUMQZZPRSA-N 253.258 -0.709 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H](O)C3)ccc21 2126905844 YASYBRRJNVDNSS-HOTUBEGUSA-N 263.297 -0.430 10 10 CBCE O=C(NC[C@@H]1[C@H]2CNC[C@H]21)c1cc(O)c(O)c(O)c1 2132399705 HSYXDGOVOJJEAE-BRPSZJMVSA-N 264.281 -0.001 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2CCS(=O)(=O)N2)cc1 2146201798 CKVUXZSEQAWFLG-SNVBAGLBSA-N 299.352 -0.545 10 10 CBCE CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)C[C@H]1CO 2188875400 QHBYULNFBHKXJG-VIFPVBQESA-N 282.296 -0.448 10 10 CBCE Nc1cc(NS(=O)(=O)c2nc[nH]n2)ccc1O 2214996026 TTZZNUUNEDLMGO-UHFFFAOYSA-N 255.259 -0.107 10 10 CBCE COc1ccc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(C=O)c1 2235986734 NUHQSNHJKYXLSN-QWHCGFSZSA-N 279.292 -0.182 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@H](O)[C@H](O)CC2)cc1 2284537359 KFDPEVHMMJVOQA-BETUJISGSA-N 280.324 -0.008 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1CC([C@H](O)CO)C1 2336774339 QPKBQTYTYJHEEZ-GFCCVEGCSA-N 267.281 -0.548 10 10 CBCE C[C@H](OC(=O)Cc1ccc(N)cc1)C(=O)NC(N)=O 41098601 QSXVECRDVYDVIC-ZETCQYMHSA-N 265.269 -0.062 10 10 CBCE COC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 49361416 CGOGLYAMLUWNSV-APPZFPTMSA-N 282.296 -0.355 10 10 CBCE O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)c1cc(O)nc(O)c1 100615042 USQAFFJLPCQCPB-QMMMGPOBSA-N 292.251 -0.358 10 10 CBCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)n1c(=O)[nH][nH]c1=O 230387172 YYUAJMNGLUUIOP-LURJTMIESA-N 281.224 -0.856 10 10 CBCE Cc1cc(NS(=O)(=O)C[C@H](N)C(=O)O)ccc1O 691743944 OROQITUZKXHASO-QMMMGPOBSA-N 274.298 -0.146 10 10 CBCE O=[N+]([O-])c1cc(N2C[C@H](O)[C@H](O)C2)ccc1CO 2068317444 YIXMCFVUCLVJHD-PHIMTYICSA-N 254.242 -0.371 10 10 CBCE COc1cc(N2CC(CO)(CO)C2)ccc1CN 2084015422 FLWZGVZBXYXUGM-UHFFFAOYSA-N 252.314 -0.055 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(O)c(O)c1 2118153551 ABTWISHSHASFSV-SFYZADRCSA-N 266.253 -0.842 10 10 CBCE NOCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2157157985 LGHFPWVXQSBNSK-QMMMGPOBSA-N 284.268 -0.510 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3NC(=O)O[C@@H]3C2)cc1 2176918430 WIPCILAFXNDIDX-WDEREUQCSA-N 297.336 -0.109 10 10 CBCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CN)cc1F 2225700145 IOZMGUNJIGSEAL-JHJVBQTASA-N 270.304 -0.159 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@]12CCC(=O)N1CCS2 808496601 XMEFLEUWOXZOLA-NSHDSACASA-N 271.294 -0.247 10 10 CBCE CCOC(=O)[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1151321392 ZZOMXQVWIROSEA-VIFPVBQESA-N 283.280 -0.320 10 10 CBCE CN1C(=O)C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1=O 1568122115 AJQFPUAXTGRGCK-LVCFMKKZSA-N 290.275 -0.016 10 10 CBCE C[C@@H]1[C@H](O)CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1914424791 XTCIPQCQBPGKPN-DVVUODLYSA-N 280.324 -0.051 10 10 CBCE CC(C)(NC(=O)c1cc(O)nc(O)c1)c1nn[nH]n1 2094669861 VITMZBSJBLKCIE-UHFFFAOYSA-N 264.245 -0.329 10 10 CBCE Nc1[nH]nnc1C(=O)NCCc1ccc(O)c(O)c1 2117482122 FUBIKNGQOHTRBD-UHFFFAOYSA-N 263.257 -0.229 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@H]1NCc1ccc(O)c(O)c1 2142489991 IKKWHSBRLYEFJZ-SKDRFNHKSA-N 287.337 -0.001 10 10 CBCE CN[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1OC 2146742985 WZHHDZPNZBFPRW-VHSXEESVSA-N 281.312 -0.058 10 10 CBCE COc1ccc(N2CCN(C(=O)[C@@H](O)CN)CC2)cc1 2176841709 LUPHGMDICZPINO-ZDUSSCGKSA-N 279.340 -0.337 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1F 2219612449 MWOKXSCOOMYUQC-JBLDHEPKSA-N 257.261 -0.263 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)ccc1[C@@H](C)N 2269661266 DSYTVCNMNLXCNF-HYNSBDGHSA-N 266.341 -0.083 10 10 CBCE N[C@H]1CCc2cc(N3C[C@@H](O)[C@@H](O)[C@@H]3CO)ccc21 2332921613 MXHQAZNGNXEFLP-FQUUOJAGSA-N 264.325 -0.465 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@H]1NC[C@@H](O)[C@H]1O 2332940607 YJMCLVHCBLQGCD-GRYCIOLGSA-N 266.297 -0.956 10 10 CBCE C[C@@](O)(CO)CNS(=O)(=O)Cc1ccc(N)cc1 90285536 REYUUHXFROKTCV-NSHDSACASA-N 274.342 -0.569 10 10 CBCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cn(CCCO)nn1 90639299 ODHHGQUMEIDCBV-VIFPVBQESA-N 283.292 -0.226 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCn1ccnn1 127067121 YLTNCNLGDMDPPV-JTQLQIEISA-N 291.311 -0.625 10 10 CBCE C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(O)nc(O)c1 168433551 MWWQRYMYORHWPF-APPZFPTMSA-N 268.269 -0.285 10 10 CBCE O=C(c1cc(O)nc(O)c1)N(CCO)CCCO 385901258 ZDSOHMLBSGFZEL-UHFFFAOYSA-N 256.258 -0.690 10 10 CBCE N[C@@]1(CNC(=O)c2cc(O)nc(O)c2)CCOC1 688481553 HIZICBUCBJBIIF-LLVKDONJSA-N 253.258 -0.660 10 10 CBCE NC(=O)[C@@H]1CN(CCc2ccc(N)cc2)C[C@H]1C(N)=O 693429623 SNQFSBGUGMRNRP-VXGBXAGGSA-N 276.340 -0.670 10 10 CBCE CC[C@H](N)c1ccc(N(CC(N)=O)CC(N)=O)cc1 723163592 HWASYKSOVMLMEW-NSHDSACASA-N 264.329 -0.127 10 10 CBCE O=C1C[C@@H](NC(=O)c2cc(O)nc(O)c2)CCN1 2066258731 VPNJKLITCNJZCJ-ZETCQYMHSA-N 251.242 -0.499 10 10 CBCE O=C1N[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@H]2NC1=O 2166791517 TZHQZCSFIZFUEU-NXEZZACHSA-N 295.726 -0.156 10 10 CBCE CNCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)c(C)c1 2184139389 WHRRLBNYYFWLGM-GFCCVEGCSA-N 276.340 -0.495 10 10 CBCE Nc1cc2c(cc1N1CC[C@H](O)[C@H](O)C1)NC(=O)CO2 2188627134 DFCVKJNAYIUMMF-WDEREUQCSA-N 279.296 -0.468 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@H](N)[C@@H]3CCO[C@H]32)cc1 2191634450 LONVTIZUKBMDOO-UMSGYPCISA-N 297.380 -0.197 10 10 CBCE COc1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@H]2C(=O)O)c1 2200861408 MADUSEZWLJSMJE-SRVKXCTJSA-N 283.280 -0.609 10 10 CBCE COc1cc(OC)c(N2CC(N)(C(N)=O)C2)cc1OC 2289374622 ACBHFYPXAPOZNZ-UHFFFAOYSA-N 281.312 -0.285 10 10 CBCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNCCO 2296673017 BGVOZNWSPULNTC-UHFFFAOYSA-N 275.264 -0.265 10 10 CBCE CS(=O)(=O)[C@@H]1CC[C@@](NCCN=[N+]=[N-])(C(N)=O)C1 2314915459 VZRFDHHBXXSCPP-APPZFPTMSA-N 275.334 -0.293 10 10 CBCE COCCNC(=O)CN(C)C(=O)c1ccc(O)c(O)c1 227014927 XBAOOQWTYKAAEN-UHFFFAOYSA-N 282.296 -0.068 10 10 CBCE CC[C@H]1C(=O)NC(=O)CN1c1ccc2c(c1)NC(=O)[C@H]2N 251575267 JFPJOKGVDKYGJS-JQWIXIFHSA-N 288.307 -0.120 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@H]2CO)cc1 704737166 QGYDRXROHGCHGK-RYUDHWBXSA-N 286.353 -0.474 10 10 CBCE N[C@H](c1ccccc1O)[C@@]1(O)CCS(=O)(=O)C1 1943688541 AAWJHDMVTKPSOP-GHMZBOCLSA-N 257.311 -0.058 10 10 CBCE NCC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2016888889 JOLKOXKYGHVPRW-UHFFFAOYSA-N 255.343 -0.011 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1COCCN1 2087729091 JURZFGUDPITZAX-JTQLQIEISA-N 266.297 -0.255 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCC1=O 2090634669 LEHGNJPTHREQQZ-SECBINFHSA-N 266.253 -0.077 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)C1CS(=O)(=O)C1 2095903243 ZCEYFMRVUSZAPT-UHFFFAOYSA-N 283.353 -0.064 10 10 CBCE COC[C@@](O)(CO)CNC(=O)c1cccc(O)c1O 2102390367 NPFSUMKPFNSUHN-LBPRGKRZSA-N 271.269 -0.803 10 10 CBCE CN1C[C@@H](O)[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2132348488 MOAOPSSWYJIMRG-GMSGAONNSA-N 268.269 -0.792 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1[C@H](CO)C[C@H]2OCC[C@@H]21 2146631196 DCCOUOLOKNFYRS-LPEHRKFASA-N 280.280 -0.143 10 10 CBCE Cn1cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)c(=O)n(C)c1=O 2160958513 SRBBLPFBHQZMOC-ZETCQYMHSA-N 278.272 -0.391 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(O)c(O)c1 2201091319 NMCDDVPABUMRFN-USWWRNFRSA-N 283.280 -0.522 10 10 CBCE COc1ccc(N2CC(O)(C(N)=O)C2)c(CN)c1 2220417123 JJWSPHGZUMMFKL-UHFFFAOYSA-N 251.286 -0.810 10 10 CBCE CN1CCc2cc(N3C[C@H](O)[C@@H](O)[C@@H](CO)C3)ccc21 2289357295 FSIBWCQDRLHMCO-UGFHNGPFSA-N 278.352 -0.171 10 10 CBCE CC[C@@H](C)N1C(=O)C(=CNCCCO)C(=O)NC1=S 2296145082 QEKGMOOZSMUQBX-MRVPVSSYSA-N 285.369 -0.116 10 10 CBCE N[C@@H](c1nnc([C@H](O)CO)o1)c1ccc(O)cc1O 83494119 VQZXEBYEWYOCJB-RKDXNWHRSA-N 267.241 -0.445 10 10 CBCE N=C(NO)[C@@H]1COCCN1C(=O)c1ccc(O)c(O)c1 700156737 CJBBECYVPUHPEM-QMMMGPOBSA-N 281.268 -0.105 10 10 CBCE C[C@](NCCN=[N+]=[N-])(C(=O)O)C1CS(=O)(=O)C1 1912186658 FUQDWRYUQMYBAS-MRVPVSSYSA-N 262.291 -0.226 10 10 CBCE Cc1ccc(O)c(CN2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)c1 1974194266 ICJRVCASLBZIJB-PHIMTYICSA-N 275.308 -0.501 10 10 CBCE C[C@@H](CC(N)=O)NC(=O)c1cc(O)c(O)c(O)c1 2068567790 SRUHUAMTOGYRRH-YFKPBYRVSA-N 254.242 -0.203 10 10 CBCE NCC1(NS(=O)(=O)Cc2ccc(N)cc2)COC1 2071661397 CIHJSPJRXYRXFV-UHFFFAOYSA-N 271.342 -0.584 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNNCC2)cc1 2071731525 WCHXYIHCNBSXBN-UHFFFAOYSA-N 270.358 -0.492 10 10 CBCE CN(C)[C@@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C[C@H]1O 2146150480 HCKZFLSLWOLUGF-UPJWGTAASA-N 276.340 -0.250 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2OCCN[C@@H]2C1 2153998811 WRJIMOGORDCWDB-MFKMUULPSA-N 278.308 -0.161 10 10 CBCE CN[C@@H]1CCOC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188912722 MEVNXEGDISAKRA-RKDXNWHRSA-N 282.296 -0.090 10 10 CBCE Nc1cc2c(cc1N1C[C@H](N)C[C@@H](O)C1)NC(=O)CO2 2191619827 ATXIILQVZZVGCA-HTQZYQBOSA-N 278.312 -0.502 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)Cc3ccc(N)cc3)C[C@H]21 2201313326 KPORANXNCINUKT-GDNZZTSVSA-N 295.364 -0.238 10 10 CBCE CN1C[C@H](Cn2ccc3c(c2=O)CNCC3)OC1=O 2228428967 IXGITYHREOGZDM-SNVBAGLBSA-N 263.297 -0.055 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1CCOc1ccc(N)cc1 2234076788 WYSOEKDDIQLPIR-RDBSUJKOSA-N 282.340 -0.300 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2CN[C@@H](CO)[C@@H]2C1 2235554001 FFGHBYFISVDUAA-AXFHLTTASA-N 278.308 -0.250 10 10 CBCE CO[C@H]1[C@@H](NC(=O)c2ccc(O)c(O)c2)C[C@H]1O 2258690487 ZZHWLFNKQXLBPX-XROYCOCOSA-N 253.254 -0.024 10 10 CBCE N=c1nnc(OCC2C[C@H]3CNC[C@H](C2)C3)n[nH]1 2319848254 UYVCLSMJQMLWNN-YUMQZZPRSA-N 250.306 -0.306 10 10 CBCE Nc1ccc(OCC(=O)N[C@H]2CO[C@@H]3CNC[C@@H]32)cc1 2357175431 PXANNZWUPCNPJJ-FRRDWIJNSA-N 277.324 -0.249 10 10 CBCE NC(=O)C[C@@H](NC(=O)CCc1ccc(N)cc1)C(=O)O 158129369 SQCUINFSYZHQSY-SNVBAGLBSA-N 279.296 -0.354 10 10 CBCE COCCNC(=O)CNCc1ccc(O)c(O)c1O 234647813 PQAZGMDRQFBFLR-UHFFFAOYSA-N 270.285 -0.344 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCc1nc(CO)n[nH]1 1470350691 LQIQFCPMWZAVCI-UHFFFAOYSA-N 278.268 -0.433 10 10 CBCE O=C1NCC[C@@H]1C(=O)NCc1c(O)cccc1O 1558536440 XZXNKGGTHZGSES-ZETCQYMHSA-N 250.254 -0.150 10 10 CBCE C[C@@H](O)CNC(=O)c1nnn(-c2ccc(N)cc2)n1 1857879081 UGIFZOOLIGVDSV-SSDOTTSWSA-N 262.273 -0.645 10 10 CBCE [N-]=[N+]=NC1CN(CCS(=O)(=O)CCC(N)=O)C1 1912153411 GQGHSKJPTJJIMJ-UHFFFAOYSA-N 261.307 -0.729 10 10 CBCE N[C@H](CCNC(=O)c1cc(O)nc(O)c1)C(=O)O 2028194528 CIJYIOHORXNRSS-ZCFIWIBFSA-N 255.230 -0.975 10 10 CBCE CC1(C)OCCO[C@H]1[C@@H](NCCN=[N+]=[N-])C(N)=O 2076656526 OOZCQPBTOJMDLT-SFYZADRCSA-N 257.294 -0.066 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2080937044 BNCMSSBVQCCQQL-ZJNJWXDTSA-N 253.298 -0.357 10 10 CBCE Nc1ccc(CCN2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)cc1 2166792883 IVGXGYLDJFFVIA-TXEJJXNPSA-N 274.324 -0.890 10 10 CBCE Nc1ccc(CC(=O)N2CC(O)([C@@H](F)C(=O)O)C2)cc1 2172294423 BOXVEGRUVOZHSF-NSHDSACASA-N 282.271 -0.193 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](N)[C@@H]3COC[C@@H]32)cc1 2191672469 YFAYOBPKRIAALN-AVGNSLFASA-N 277.324 -0.168 10 10 CBCE Nc1ccc(OCC(=O)N2CCNC[C@H]2C(=O)O)cc1 2191724527 SCTNBWUIVFBJDN-NSHDSACASA-N 279.296 -0.467 10 10 CBCE COc1ccc(N2CC(OC)(C(N)=O)C2)c(CN)c1 2227680201 UBNNHKAIHIYIPA-UHFFFAOYSA-N 265.313 -0.156 10 10 CBCE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccc(O)cc1 2258156418 JAERJOCTCPBATQ-SECBINFHSA-N 274.298 -0.366 10 10 CBCE CN1C(=O)COc2ccc(C(=O)C(=O)C(=O)O)cc21 76358651 TUEZVIGRVBQTHF-UHFFFAOYSA-N 263.205 -0.122 10 10 CBCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1cn(CCO)nn1 90637916 XVRFFGSBAOSDOT-SECBINFHSA-N 283.292 -0.226 10 10 CBCE CN(C)c1ccc(CNC(=O)C(=O)N2CC(CO)C2)cc1 283605920 VBLSFNSAASKCBV-UHFFFAOYSA-N 291.351 -0.181 10 10 CBCE CNC(=O)C[S@](=O)CC(=O)N(C)c1ccc(N)cc1 388889356 IWAUQIIQMUCOBX-IBGZPJMESA-N 283.353 -0.274 10 10 CBCE NC(=O)CN1CCN(Cc2cc(N)ccc2O)CC1 700798198 UPKRYVKPSTVMAG-UHFFFAOYSA-N 264.329 -0.423 10 10 CBCE CNC(=O)C1CN(C(=O)Cc2ccc(O)c(O)c2)C1 1447456110 ARJOSLOZWZGLQE-UHFFFAOYSA-N 264.281 -0.155 10 10 CBCE CC(=O)NCC(=O)NCC(=O)NCc1c(O)cccc1F 1471974763 JFCGXPOKDVOSPX-UHFFFAOYSA-N 297.286 -0.600 10 10 CBCE C[C@@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 1893299919 IYAFICIGDHVREW-QPUJVOFHSA-N 268.269 -0.549 10 10 CBCE Nc1cc2c(cc1N1CC(S(N)(=O)=O)C1)NC(=O)CO2 1914972388 MDGURJKPHIRHOZ-UHFFFAOYSA-N 298.324 -0.923 10 10 CBCE O=C(O)C1([C@H](O)Cc2ccc(O)c(O)c2)CNC1 1951473724 PUQIJSPDKHCPCH-SNVBAGLBSA-N 253.254 -0.325 10 10 CBCE CC(=O)C(=O)[C@@H](O)c1nn(C)nc1Br 1956493494 IYRSKAHWRWOAAP-LURJTMIESA-N 262.063 -0.231 10 10 CBCE COc1cc(N)c(N2CC(O)(CN)C2)cc1OC 2071648651 RAIGAUKVVURMQL-UHFFFAOYSA-N 253.302 -0.204 10 10 CBCE O=C(NC[C@H]1C[C@@H](CO)CO1)c1cc(O)nc(O)c1 2101330747 DPUONLDPDMWFSY-IONNQARKSA-N 268.269 -0.380 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)C[C@@H](O)C3)ccc2[C@H]1O 2105106881 AOLONYVYWJHUSM-VDDIYKPWSA-N 264.281 -0.396 10 10 CBCE NC(=O)NCC1CN(C(=O)c2ccc(O)c(O)c2)C1 2130746318 ITCBJRAPZHUKFY-UHFFFAOYSA-N 265.269 -0.162 10 10 CBCE NC(=O)CC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 2132351605 YRBPZDGQDVWQFU-UHFFFAOYSA-N 266.253 -0.249 10 10 CBCE OCc1cc(F)c(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(F)c1 2183643194 RZRZTQXGHRAUDC-JQWIXIFHSA-N 287.262 -0.232 10 10 CBCE O=C(N[C@@H]1CO[C@H]2CNC[C@@H]12)c1cc(O)c(O)c(O)c1 2188922728 HUMLASNDBYVKKQ-RNSXUZJQSA-N 280.280 -0.480 10 10 CBCE Cn1cc(S(=O)(=O)Nc2ccc(O)c(N)c2)nn1 2220567884 IILSCXRPVZRAOP-UHFFFAOYSA-N 269.286 -0.096 10 10 CBCE COc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(CN)c1 2235974601 YSAKKMXMXLFUEN-KBPBESRZSA-N 282.340 -0.288 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@@H]1[C@H](O)CO 2258345941 NJJZOAZZQMZCFV-PSASIEDQSA-N 253.254 -0.335 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2CO[C@@H]3CNC[C@H]3O2)C1 2265041344 JHALNWYHYGLDAZ-WOTQDWCVSA-N 268.313 -0.992 10 10 CBCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1 2332920034 LQGXDMUJSIPDGU-MCIONIFRSA-N 266.341 -0.301 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)C[C@H]3CO)ccc21 2335171384 GNTSXTXEVMEBTJ-YGOYTEALSA-N 263.297 -0.430 10 10 CBCE CS(=O)(=O)c1ccc(C(=O)C(=O)C(=O)O)cc1 76302457 XKCHLRSCDDLIGP-UHFFFAOYSA-N 256.235 -0.074 10 10 CBCE NCCN1CCN(C(=O)c2cccc(O)c2O)CC1 125938337 NAISDDFIXXBULP-UHFFFAOYSA-N 265.313 -0.186 10 10 CBCE COC(=O)[C@H](O)CNC(=O)CCc1ccc(N)cc1 227202225 DFXLGOQBKWZJCE-LLVKDONJSA-N 266.297 -0.149 10 10 CBCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 403851259 SPLHULOFCYBKNB-BQBZGAKWSA-N 266.261 -0.114 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@H]2CO)cc1 698116417 QRAWMBAANBTKJO-RWMBFGLXSA-N 282.340 -0.564 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCN[C@H](CCO)C1 710596640 QGDNQMMCEIMPHS-SECBINFHSA-N 267.285 -0.711 10 10 CBCE CN(C)C[C@H](CO)NC(=O)COc1ccc(N)cc1 716717989 ACUDGCVVEYWQKF-LLVKDONJSA-N 267.329 -0.314 10 10 CBCE CC(=O)C(=O)COC(=O)C(=O)N1CCC[C@H](C)C1 808548103 XBCCHHCSJJBIGZ-QMMMGPOBSA-N 255.270 -0.054 10 10 CBCE O=C(NCc1ccc(O)c(O)c1)C1CS(=O)(=O)C1 1445904237 WOAZYHSCYBSPHI-UHFFFAOYSA-N 271.294 -0.241 10 10 CBCE NS(=O)(=O)CCCC(=O)NCc1ccc(O)c(O)c1 1630273916 XRKRMFFBJUHJMM-UHFFFAOYSA-N 288.325 -0.217 10 10 CBCE O=C(CCN1C(=O)CSC1=S)Nc1nn[nH]n1 1865767969 GDLWYXXSZDNXKH-UHFFFAOYSA-N 272.315 -0.611 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@]23CNC[C@H]2CCO3)C1 2049786067 IQZCUVIECWQSOO-VWMGYNLJSA-N 252.314 -0.370 10 10 CBCE O=C(NCC[C@@H]1CNCCO1)c1cc(O)nc(O)c1 2087201350 NSFDBXQGSGNWGV-SECBINFHSA-N 267.285 -0.399 10 10 CBCE CO[C@@H]1C[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2131666979 UHHXRWIVIPZSEZ-HOTUBEGUSA-N 266.297 -0.129 10 10 CBCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1ccc(O)c(O)c1 2143719188 KCEYFKSYNRNSSA-WDEREUQCSA-N 298.364 -0.331 10 10 CBCE CNC1(C(N)=O)CN(c2ccc(OC)cc2[N+](=O)[O-])C1 2165757148 ZPXXRFPWZJAPSE-UHFFFAOYSA-N 280.284 -0.133 10 10 CBCE Cc1nnc(O)n(CC(=O)Nc2ccc(N)cc2)c1=O 2175190329 ZJDGOIYVCROIJD-UHFFFAOYSA-N 275.268 -0.127 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1O 2201032874 JPXIEBOWHAGHNF-BLJJELEKSA-N 282.340 -0.425 10 10 CBCE COc1ccc(N2CC(OCC(N)=O)C2)c(CN)c1 2227681146 HIQOAVNALPDVFO-UHFFFAOYSA-N 265.313 -0.156 10 10 CBCE NC[C@]12CO[C@](C(=O)C(=O)C[C@H]3C[C@H](N)C3)(C1)C2 2312102733 JGGDHYGWXFIJJT-HFMDKHFUSA-N 252.314 -0.240 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC1COC1 98058303 AMXZRECXWWSDPB-VIFPVBQESA-N 253.254 -0.090 10 10 CBCE C[C@@H]1C(=O)NCCN1C(=O)c1cc(O)nc(O)c1 110667133 DDLBKFRYUCKGTP-ZCFIWIBFSA-N 251.242 -0.547 10 10 CBCE C[C@H](c1ccc(F)cc1O)N(CC(N)=O)CC(N)=O 134016356 XOSSDCBTQRNASH-SSDOTTSWSA-N 269.276 -0.135 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)CC(N)=O 302395520 VNWINWGRTXPZEC-MDTSDYNXSA-N 269.326 -0.170 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@](O)(CO)C1 313665020 ZJRFZXCDHFJYBU-GFCCVEGCSA-N 253.254 -0.333 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](CO)[C@@H](CO)C2)cc1 704630486 JQYGMHSYYTWOBP-GHMZBOCLSA-N 280.324 -0.293 10 10 CBCE CN1CC(=O)N(CCOc2ccc(N)cc2)C(=O)C1 708317976 KZCFYPZBJWNZAN-UHFFFAOYSA-N 263.297 -0.052 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@@]2(CO)C1 2029640343 ZYDKZYWATQBJDX-PELKAZGASA-N 250.254 -0.053 10 10 CBCE Nc1ccc(OCC(=O)NCC2(O)CNC2)cc1 2071723292 RSYUYOXZXHSHHQ-UHFFFAOYSA-N 251.286 -0.902 10 10 CBCE O=S(=O)(NCCc1ccc(O)c(O)c1)[C@H]1CCNC1 2091746723 GOXMHPPEQPFYFU-JTQLQIEISA-N 286.353 -0.078 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H](O)[C@H]2COC[C@H]21 2102187948 COZUJEZAULFALE-SBMIAAHKSA-N 265.265 -0.071 10 10 CBCE [N-]=[N+]=NCC1(CNC(=O)CN2C(=O)CNC2=O)CC1 2117724796 NRLNUJYKMOOFQK-UHFFFAOYSA-N 266.261 -0.255 10 10 CBCE CN1CCO[C@@H](C(=O)NCc2cc(N)ccc2O)C1 2131261988 RFGQFEFFFSFCMF-GFCCVEGCSA-N 265.313 -0.079 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(F)c1 2136288310 UXYGLOCUHWZVEZ-WXVIEYFRSA-N 271.288 -0.218 10 10 CBCE C[C@@](O)(CNC(=O)Cc1ccc(O)c(O)c1)CC(=O)O 2144019828 PZRMKTDBTDREQL-ZDUSSCGKSA-N 283.280 -0.018 10 10 CBCE O=C(N[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O)c1cc(O)nc(O)c1 2176910472 GUQCSNUOPPMJMT-HFHOALDZSA-N 280.280 -0.503 10 10 CBCE O=C(c1cccc(O)c1O)N1CC2(C1)OC[C@H](O)[C@@H]2O 2183721006 DXRXUCGLYKQBQN-ONGXEEELSA-N 281.264 -0.956 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2199432872 AHUOOKKBSWYJTF-LAEUOODISA-N 280.280 -0.551 10 10 CBCE Cc1cc(CN)ccc1N1CC[C@@](O)(CO)[C@H](O)C1 2225729594 PSBSMELOVCCWLF-ZIAGYGMSSA-N 266.341 -0.252 10 10 CBCE OC[C@]1(O)CCN(c2ccc3c(c2)OCCO3)C[C@@H]1O 2235094428 OSIIDRWPKARUSA-UONOGXRCSA-N 281.308 -0.248 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@H]1NC(=O)c1cccc(O)c1O 2258674236 CECSCPBEKCIRAT-HDBBIHSSSA-N 253.254 -0.024 10 10 CBCE NCc1c[nH][nH]c1=NC(=O)c1cc(O)c(O)c(O)c1 2352421121 SKEGAWNIWRPRKB-UHFFFAOYSA-N 264.241 -0.341 10 10 CBCE CCN[C@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](O)C3)ccc21 2354197446 JBTZITKLKTVLAZ-JHJVBQTASA-N 277.324 -0.169 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCNCC1 40459998 QZVXLEWOQARRHA-JTQLQIEISA-N 265.313 -0.601 10 10 CBCE O=C(CC1CNC1)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 81765447 XHKQOAGDOZSXKR-SNVBAGLBSA-N 294.307 -0.181 10 10 CBCE CN1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1=O 230205121 OXIZZRUPSMIGKU-NSHDSACASA-N 283.353 -0.081 10 10 CBCE O=C(c1cc(O)nc(O)c1)N(CCO)C[C@H]1CCCN1 236510404 JQOIEJPAQVKAEC-SNVBAGLBSA-N 281.312 -0.321 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@@H](O)C[C@@H]1CO 698206422 DFSDHAQQPQMRRP-NRUUGDAUSA-N 277.324 -0.153 10 10 CBCE Nc1ccc(CS(=O)(=O)N[C@]2(CO)C[C@H](O)C2)cc1 1889332167 BNIXBGDMCKGGNY-TXEJJXNPSA-N 286.353 -0.426 10 10 CBCE N[C@H](c1ccc(N2CCOCC2)cc1)[C@H](O)C(=O)O 1952101540 ACVZBSIUFRHXEV-NEPJUHHUSA-N 266.297 -0.032 10 10 CBCE O=C(N[C@@H]1CCNC[C@H]1F)c1cc(O)nc(O)c1 2029909668 RNHKIZYDOXAFSK-HTQZYQBOSA-N 255.249 -0.077 10 10 CBCE C[C@@H](O)[C@H](N)CNC(=O)c1cc(O)c(O)c(O)c1 2068620585 IQJGPTLSCADWHQ-IYSWYEEDSA-N 256.258 -0.759 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Cl)c1 2136345781 WWJRKRQZXZFUBZ-RWMBFGLXSA-N 286.759 -0.038 10 10 CBCE Cc1cc(N2CC[C@](O)(CO)[C@H](O)C2)ccc1CO 2225723588 BMLBYWKQEHKXOF-KGLIPLIRSA-N 267.325 -0.218 10 10 CBCE NCCc1nc(=NC(=O)c2cc(O)c(O)c(O)c2)s[nH]1 2238238704 XTQYXNTYROFJPQ-UHFFFAOYSA-N 296.308 -0.170 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1F 2273680757 KHABXKKXWUNLTQ-YDEJPDAXSA-N 271.288 -0.015 10 10 CBCE COC(=O)C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 71337597 SAMAHTHIRAMLNK-JTQLQIEISA-N 280.280 -0.056 10 10 CBCE COC[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 83398143 MDMHJYPDEYUBKN-VIFPVBQESA-N 254.286 -0.270 10 10 CBCE Cc1cccc([C@H](N)C(=O)NC[C@H](O)CO)c1O 83398385 NSECWHWBOJZHSY-WPRPVWTQSA-N 254.286 -0.830 10 10 CBCE C[C@](O)(CO)CNC(=O)c1ccn(-c2ccc(N)cc2)n1 90283850 AWIUMWIDTQQSOO-CQSZACIVSA-N 290.323 -0.072 10 10 CBCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1F 395318439 KCZBAUMZDXPXLW-NXEZZACHSA-N 263.272 -0.007 10 10 CBCE O=C(c1cc(O)cs1)N1CCN2CCOC[C@]2(CO)C1 1124053602 RIIVGNGUUMAPOE-CYBMUJFWSA-N 298.364 -0.027 10 10 CBCE O=C(NCCN1CCNC1=O)c1c(F)ccc(O)c1O 1649061172 HWWKBHZSDCFCIO-UHFFFAOYSA-N 283.259 -0.008 10 10 CBCE NC(=O)[C@@H]1CNCCN1Cc1ccc(F)cc1O 2084077970 AXAQQLKNAPOVIU-JTQLQIEISA-N 253.277 -0.210 10 10 CBCE NC(=O)C(NCc1ccc2c(c1)CCCO2)C(N)=O 2087535229 CPQKFIXBNQHKCW-UHFFFAOYSA-N 263.297 -0.560 10 10 CBCE NC(=O)[C@@H]1CNCCN1c1ccc2c(c1)OCCO2 2106327734 YDXUHBBEOMZPKL-JTQLQIEISA-N 263.297 -0.279 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3C[C@@H](O)C[C@H](O)C3)cc21 2161394334 QGTFWSUXVOWQAT-OUJBWJOFSA-N 278.308 -0.372 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@H](O)[C@@H](O)C2)cc1 2188630296 BPGTYCLTBPOMJN-XBFCOCLRSA-N 282.340 -0.564 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CC[C@@H]1CO 2233747083 QVVUZOPDYMMDPA-OUAUKWLOSA-N 280.324 -0.145 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CCNC(=O)C3)ccc21 36194157 VSVCRIBHERDNNS-LBPRGKRZSA-N 260.297 -0.165 10 10 CBCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)n1cn[nH]c1=O 230391532 FXWLDUCKCKAULY-SSDOTTSWSA-N 265.225 -0.149 10 10 CBCE NC(=O)[C@H]1CCN1S(=O)(=O)Cc1ccc(N)cc1 2028927569 PJDKLWDWXIHZKY-SNVBAGLBSA-N 269.326 -0.342 10 10 CBCE NC(=O)c1cccc(N)c1N[C@@H]1CCOC[C@H]1N 2071694009 GMNVTXAWJNJOHQ-NXEZZACHSA-N 250.302 -0.104 10 10 CBCE N[C@H]1COCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 2092391406 SWNRZFNQAWITJA-UWVGGRQHSA-N 266.297 -0.127 10 10 CBCE CC(=O)NCCNC(=O)CN(C)Cc1ccc(N)cc1 2148886922 DJAOQDZGQCLLNH-UHFFFAOYSA-N 278.356 -0.047 10 10 CBCE C[C@H](N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)ccc1O 2177942532 AHLHRHFKFDBDBP-BXOJNMQXSA-N 283.324 -0.149 10 10 CBCE NCc1cc(F)c(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(F)c1 2183626080 FJXFIHYIAJGFPP-ZYHUDNBSSA-N 286.278 -0.266 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H](CO)[C@H](CO)C1 2188867911 IZOIRTKKXFBFHM-IUCAKERBSA-N 283.280 -0.524 10 10 CBCE Nc1cc2c(cc1N1CCOC[C@H](N)C1)NC(=O)CO2 2191564395 OIRWZAMVTGNLCV-MRVPVSSYSA-N 278.312 -0.236 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H]2[C@H](O)CO)cc1 2270702647 CLZDJGUVMUGVID-VXGBXAGGSA-N 266.297 -0.398 10 10 CBCE NC[C@H]1CNCCN1C(=O)c1ccc(O)c(O)c1 236204298 ZTTFXVPUVWNZGI-VIFPVBQESA-N 251.286 -0.530 10 10 CBCE CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(O)c(O)c1 697270136 NROJKNSJOPZMKU-BXKDBHETSA-N 287.337 -0.001 10 10 CBCE NC(=O)CC[C@@H](N)C(=O)NCc1ccccc1O 1963530931 RMGVHOPMPZXDSY-SECBINFHSA-N 251.286 -0.399 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCS1(=O)=O 1964863511 FDXFJYQOWNXGBH-LLVKDONJSA-N 285.321 -0.056 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CNC[C@H]1O 2027481426 MXNWUCXOWRFGCQ-GZMMTYOYSA-N 252.270 -0.911 10 10 CBCE COc1ccc(O)c(CN[C@H]2CC(=O)NC2=O)c1 2034957499 MBNVBWBQCGOOJC-VIFPVBQESA-N 250.254 -0.095 10 10 CBCE COC[C@H](ON)C(=O)NCCc1ccc(O)c(O)c1 2091756127 ZVWAVFWKJODWKW-NSHDSACASA-N 270.285 -0.338 10 10 CBCE NCC[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)CCO1 2119483847 IBIXFVNFWMZWIP-SECBINFHSA-N 267.285 -0.317 10 10 CBCE Cn1[nH]c(CCN)nc1=NC(=O)Nc1ccc(N)cc1 2191525292 JLMWIYRZFWLBIU-UHFFFAOYSA-N 275.316 -0.036 10 10 CBCE NC[C@]1(O)CCCN(C(=O)COc2ccc(N)cc2)C1 2191669936 IVQHXMBACLJDSD-CQSZACIVSA-N 279.340 -0.040 10 10 CBCE CNCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2201035459 QOONOVKDHAHJEO-GMXVVIOVSA-N 288.294 -0.413 10 10 CBCE C[C@]1(O)CN(C(=O)COc2ccc(N)cc2)CC[C@H]1O 2201508246 RAFSEQQGWFQRTR-OCCSQVGLSA-N 280.324 -0.008 10 10 CBCE C[C@](O)(CO)[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)C1 2202854954 XPIVWFAZMDKOON-ZANVPECISA-N 282.296 -0.302 10 10 CBCE COc1ccc(N2CC(=O)NC(=O)C2)c(CO)c1 2220427297 IWKBWUNHBDXXNN-UHFFFAOYSA-N 250.254 -0.350 10 10 CBCE CNCc1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1 2225721486 KHQBIKLRLAVJIU-KBPBESRZSA-N 266.341 -0.300 10 10 CBCE COc1cc(N2CC(O)(C(N)=O)C2)cc(OC)c1OC 2235132303 AINNEUOAESMEPE-UHFFFAOYSA-N 282.296 -0.251 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2CCO[C@]2(CO)C1 2239892620 QNEQPSJQHPEKQW-ZANVPECISA-N 280.280 -0.284 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2273789977 HQURSSJGXRLFSS-OJDJGZDQSA-N 267.325 -0.110 10 10 CBCE O=C(CN1CC([C@H](O)CO)C1)c1ccc(O)c(O)c1 2336781871 ZWIUIAFYUHJPBB-CYBMUJFWSA-N 267.281 -0.435 10 10 CBCE NCC1(C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)CC1 167135974 HLCJIUZGLOHIIU-VIFPVBQESA-N 294.307 -0.051 10 10 CBCE NC(=O)C[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 236224011 JWMRVNKYKAWLJW-LURJTMIESA-N 268.225 -0.844 10 10 CBCE Nc1ccc(OCC(=O)N(CCO)CCCO)cc1 385346618 ODTNUIJBUKELPH-UHFFFAOYSA-N 268.313 -0.149 10 10 CBCE NC(=O)[C@]1(O)CCN(Cc2cc(N)ccc2O)C1 394085654 VXPDMKAPDCUHHF-LBPRGKRZSA-N 251.286 -0.604 10 10 CBCE CO[C@@H]1CN(C(=O)COc2ccc(N)cc2)C[C@H]1N 1876495724 SJNYWDIVHKAPSG-VXGBXAGGSA-N 265.313 -0.168 10 10 CBCE [N-]=[N+]=NCCCCN1C[C@H]2NC(=O)C(=O)N[C@@H]2C1 2047956668 QTAYKIWGNFIYBR-HTQZYQBOSA-N 252.278 -0.624 10 10 CBCE NC(=O)[C@H]1C(=O)NCCN1c1ccc(CO)cc1F 2127702338 SLNKDHDLMCDHAE-JTQLQIEISA-N 267.260 -0.892 10 10 CBCE O=C(N[C@H](C(=O)O)[C@@H]1CCCO1)c1cc(O)nc(O)c1 2172514670 KFOCPHBQLCPAKC-XVKPBYJWSA-N 282.252 -0.145 10 10 CBCE Nc1ccc(O)c(CNC(=O)[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)c1 2174573904 QCTMRTCNXXLDKK-PEGIJTEDSA-N 296.348 -0.119 10 10 CBCE O=C(O)C1=C[C@H](O)[C@@H](NC(=O)c2cc(O)nc(O)c2)C1 2188067834 VGDXYYBAZZWTLS-YUMQZZPRSA-N 280.236 -0.633 10 10 CBCE COC[C@H](ONC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868325 PJEIEVPOSHSLJV-QMMMGPOBSA-N 287.224 -0.436 10 10 CBCE CN1C(=O)C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O 2188868901 YTFQAJBUDDVLJO-ZCFIWIBFSA-N 280.236 -0.710 10 10 CBCE CNCc1ccc(N(CC(N)=O)CC(N)=O)cc1OC 2204557745 TYAULQVEPROBKR-UHFFFAOYSA-N 280.328 -0.808 10 10 CBCE Cc1cc([C@H](C)N)ccc1N(CC(N)=O)CC(N)=O 2232033566 ODVLGUAXQKBHJH-VIFPVBQESA-N 264.329 -0.208 10 10 CBCE Cc1cc([C@H](C)O)ccc1N1C[C@H](O)[C@H](O)[C@H]1CO 2232100311 KOYXPXRIKMZZDH-GSVCSZOMSA-N 267.325 -0.049 10 10 CBCE CO[C@H]1[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 2271171749 YJVLLLLOUVTFIN-TUAOUCFPSA-N 286.353 -0.164 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311701451 BNCMSSBVQCCQQL-NZBQSGDWSA-N 253.298 -0.357 10 10 CBCE CN1CCN(C(=O)c2cccc(O)c2O)[C@@H](CN)C1 126711449 UBCCJVDXXVVRFI-VIFPVBQESA-N 265.313 -0.187 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCO[C@@H](CO)C2)cc1 167742409 VIOGGGBJMBOECH-GFCCVEGCSA-N 286.353 -0.208 10 10 CBCE Nc1ccc(OCC(=O)N2CCC(O)(CO)CC2)cc1 313680214 HXDVGSGYWLXPQW-UHFFFAOYSA-N 280.324 -0.007 10 10 CBCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(O)c1O 1335329442 JLOWYCFFDOCGPE-SVRRBLITSA-N 266.253 -0.842 10 10 CBCE CCO[C@@H]1CNC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049785033 UWGULSYNIJBLKV-DNRKLUKYSA-N 254.330 -0.124 10 10 CBCE O=S1(=O)C[C@H]2NCCN(Cc3ccccc3O)[C@@H]2C1 2087411680 QMAUZSPJVOCIAV-VXGBXAGGSA-N 282.365 -0.037 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2ccc3c(c2)CCO3)C1 2104272910 AEXGNPZPHAUMGD-RYUDHWBXSA-N 283.349 -0.131 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@]23CCOC[C@@H]2CNC3)C1 2112574672 WZVBLTZRZDPETC-RMIALFOJSA-N 266.341 -0.122 10 10 CBCE Nc1ccc(CC(=O)NC2[C@@H]3CS(=O)(=O)C[C@@H]23)cc1 2118077387 JEVWNLUICYTWJF-GHMZBOCLSA-N 280.349 -0.030 10 10 CBCE O=C(NC[C@H]1COC[C@@H]1O)c1cc(O)c(O)c(O)c1 2132348167 FSDQEOQIEFLADW-XVKPBYJWSA-N 269.253 -0.460 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCC1(O)CCNCC1 2144027853 XNTYILBGLANUIT-UHFFFAOYSA-N 280.324 -0.129 10 10 CBCE CO[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CC[C@H]1N 2188912278 JDWPCDNGGNFTGI-LDYMZIIASA-N 282.296 -0.008 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@](N)(C(=O)O)C2)cc1 2191792774 WFLOOLYDURYXNR-GFCCVEGCSA-N 299.352 -0.414 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@H]2C[C@H](O)[C@H]2C1 2312225309 CLHPNKKNWJQJPU-VGMNWLOBSA-N 250.254 -0.054 10 10 CBCE CNC(=O)CNC(=O)CCOc1ccc(N)cc1 40302953 KXDSYXYJZMGEJI-UHFFFAOYSA-N 251.286 -0.100 10 10 CBCE C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(N)cc1 110653038 BREWQFHPNYIBNI-SECBINFHSA-N 263.297 -0.006 10 10 CBCE Nc1cc2c(cc1N1CCOC[C@@H]1CO)NC(=O)CO2 167955044 UUILLILVDRYLBG-QMMMGPOBSA-N 279.296 -0.203 10 10 CBCE CN1CCN(c2ccc3c(c2)NC(=O)[C@H]3O)[C@H](CO)C1 699435423 QZKUIJOMJXDFPZ-GWCFXTLKSA-N 277.324 -0.215 10 10 CBCE CCCCS(=O)(=O)NCC(=O)OCC(=O)C(C)=O 808531044 JUQNCRYDLVLYHV-UHFFFAOYSA-N 279.314 -0.593 10 10 CBCE C[C@@H](NC(N)=O)C(=O)NCCc1ccc(O)c(O)c1 917356524 YFAOTYQTDXPKBE-SSDOTTSWSA-N 267.285 -0.187 10 10 CBCE O=C(C[C@H]1CC(=O)N1)NCc1cccc(O)c1O 1263894768 UYXUXWUXAYBNQE-QMMMGPOBSA-N 250.254 -0.007 10 10 CBCE O=C(NCc1ccc(O)cc1O)[C@H]1CCS(=O)(=O)N1 1451757078 LIUHYEXLAMDSEN-SECBINFHSA-N 286.309 -0.594 10 10 CBCE CN(CC(=O)O)C(=O)CCN1C(=O)CSC1=S 1865765819 LJLLBLCYFBQQEA-UHFFFAOYSA-N 276.339 -0.220 10 10 CBCE Cn1nc(OCc2ccc(N)cc2)c(=O)n(C)c1=O 1924904096 LQPYXARFTPWMRA-UHFFFAOYSA-N 262.269 -0.360 10 10 CBCE N[C@H]1CC[S@](=O)(=NC(=O)c2cc(O)nc(O)c2)C1 2036856179 PZHNLSCVYLTLBJ-ULCDLSAGSA-N 271.298 -0.168 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NC(=O)Cc1ccc(N)cc1 2117458490 RUZRUUXSFXSALW-ZYHUDNBSSA-N 263.297 -0.430 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1CCc1ccc(N)cc1 2225701614 LPRVTMMXYUDHRZ-RDBSUJKOSA-N 266.341 -0.136 10 10 CBCE Oc1cc2c(cc1O)CN([C@H]1CNC[C@@H]1O)CC2 2318671614 PUOZLNKBGMQMAS-GWCFXTLKSA-N 250.298 -0.211 10 10 CBCE C[C@H](NC(=O)C(N)(CO)CO)c1ccccc1O 2320909973 HARNQIFDUVVVQF-QMMMGPOBSA-N 254.286 -0.749 10 10 CBCE O=C(CN(CCO)CCCO)c1ccc(O)c(O)c1 385691022 NNYBRZOVHFWFBB-UHFFFAOYSA-N 269.297 -0.043 10 10 CBCE CO[C@]1(C(=O)O)CCN(C(=O)c2cc(O)nc(O)c2)C1 703778158 USAAFUMSJXEBLG-GFCCVEGCSA-N 282.252 -0.192 10 10 CBCE [N-]=[N+]=N[C@H]1CCCN([C@@H]2CS(=O)(=O)C[C@H]2O)C1 1912197638 WUZWMONVTZGKAR-DJLDLDEBSA-N 260.319 -0.081 10 10 CBCE C[C@@H](NCC(O)(CO)CO)c1cc(F)ccc1O 1913786089 GRMQXUYEPSMSDL-MRVPVSSYSA-N 259.277 -0.102 10 10 CBCE COC1CN(S(=O)(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1 1998747797 DYBPLSQHAMHPID-SSDOTTSWSA-N 261.307 -0.054 10 10 CBCE NC[C@@H]1COC[C@@H]1NC(=O)c1cccc(O)c1O 2029840048 DQZQAMIZVFINCC-APPZFPTMSA-N 252.270 -0.199 10 10 CBCE NC(=O)[C@@H]1OCC[C@@H]1NC(=O)Cc1ccc(N)cc1 2117458487 RUZRUUXSFXSALW-CMPLNLGQSA-N 263.297 -0.430 10 10 CBCE NCCC(CCN)NC(=O)COc1ccc(N)cc1 2140780852 YBYBDXWHKIRPCM-UHFFFAOYSA-N 266.345 -0.170 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC2(CNS(=O)(=O)C2)C1 2176159033 AACLHKJAGNSPST-UHFFFAOYSA-N 298.320 -0.527 10 10 CBCE CN[C@H]1C(=O)Nc2cc(N3C[C@@H](O)C[C@H](O)C3)ccc21 2183268399 DKKQSCAKCAMBGY-OUJBWJOFSA-N 277.324 -0.169 10 10 CBCE NC(=O)[C@H]1C[C@@H]1C(=O)NCCOc1ccc(N)cc1 2268352049 IANFFQDMSJWGEJ-QWRGUYRKSA-N 263.297 -0.115 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(F)c1 2289489379 UJYKUTCDXUGWNC-LEWSCRJBSA-N 284.331 -0.305 10 10 CBCE N=c1nnc(OCc2nccc(C(F)F)n2)n[nH]1 2327810850 AOVSXEHXYWKVRY-UHFFFAOYSA-N 255.188 -0.014 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@H]1CO 5884930 HETOJIJPBJGZFJ-SRQIZXRXSA-N 292.259 -0.340 10 10 CBCE CN(CCO)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40467477 MVNZNICQEHGNJK-VIFPVBQESA-N 254.286 -0.582 10 10 CBCE C[C@@H](O)[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 40470893 SMRWZPNQQUTLPQ-RDDDGLTNSA-N 252.270 -0.239 10 10 CBCE COc1cc(N)c(N2CCOC[C@H]2C(N)=O)cc1OC 158790302 PTHRXFKKOKNCBK-JTQLQIEISA-N 281.312 -0.024 10 10 CBCE CN(Cc1ccc(N)cc1)C(=O)CNS(C)(=O)=O 385924234 JYSLCDAYHUHQPY-UHFFFAOYSA-N 271.342 -0.224 10 10 CBCE COC[C@@H](C(N)=O)N(C)C(=O)c1cccc(O)c1O 817931975 UPXWAMNMRXNEDH-QMMMGPOBSA-N 268.269 -0.330 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NCCOCCO 1441115513 ZNGIFANFKCRZJZ-UHFFFAOYSA-N 255.270 -0.235 10 10 CBCE COC1(CNC(=O)c2cccc(O)c2O)CNC1 2040151143 WSKNFJRJNJMPDT-UHFFFAOYSA-N 252.270 -0.184 10 10 CBCE Cc1cccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1O 2046512922 AEDKLLGLBOGKFZ-LYIQGSDWSA-N 253.298 -0.355 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CNC(=O)O1 2129934084 DTULIZPFRCGORR-MRVPVSSYSA-N 266.253 -0.135 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1cc(F)ccc1O 2136095690 LPABPERYEDBISA-VWYCJHECSA-N 271.244 -0.478 10 10 CBCE CC(C)(O)[C@](C)(NC(=O)c1cc(O)nc(O)c1)C(=O)O 2178410413 DTGMVVZVHKDNQB-GFCCVEGCSA-N 284.268 -0.163 10 10 CBCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc2c(c1)NC(=O)[C@H]2O 2181218512 YRKTWNTWSZSBJG-SDDRHHMPSA-N 278.308 -0.008 10 10 CBCE CN(CCNC(=O)c1cc(O)c(O)c(O)c1)CC(=O)O 2188867533 CGAYYWDMDZXILE-UHFFFAOYSA-N 284.268 -0.450 10 10 CBCE Nc1ccc(CS(=O)(=O)N2C[C@H](N)[C@H]3COC[C@H]32)cc1 2191531536 SQORZMXAQHPVOY-FRRDWIJNSA-N 297.380 -0.244 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(OC)c1C 2295378970 VJPPYBAAYBFUHB-GMXVVIOVSA-N 283.324 -0.085 10 10 CBCE COC(=O)CS(=O)(=O)NCc1ccc(N)cc1 42375665 RSRIZHMBWONLNX-UHFFFAOYSA-N 258.299 -0.139 10 10 CBCE NC(=O)C[C@H](NC(=O)c1cccc(O)c1O)C(=O)O 125987454 PDOYQTHDUNGMLC-LURJTMIESA-N 268.225 -0.844 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCc2ccco2)C1=O 169995646 UPSVNZKMICJOQV-QMMMGPOBSA-N 251.242 -0.595 10 10 CBCE CO[C@@H]1CN(CC(=O)c2ccc(O)c(O)c2)C[C@H]1O 395993678 DMLBXHJTKSGWHA-CHWSQXEVSA-N 267.281 -0.028 10 10 CBCE CN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C(=O)O 687291162 BUNJWKXZFOFTSH-SECBINFHSA-N 280.280 -0.061 10 10 CBCE O=C(CN1C[C@H](O)C[C@H]1CO)c1ccc(O)c(O)c1 703885706 PHAWDVSLJXZFTA-VHSXEESVSA-N 267.281 -0.292 10 10 CBCE NC1CCN(CCNC(=O)c2cc(O)nc(O)c2)CC1 721893228 VTEWNIWLHBYDNA-UHFFFAOYSA-N 280.328 -0.354 10 10 CBCE NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c(O)cccc1O 1597578711 BOXNQSUQNNHKLH-RQJHMYQMSA-N 250.254 -0.165 10 10 CBCE NCCN(CCO)c1cc2c(cc1N)OCC(=O)N2 1876217576 MFKNXMRLGQFBQW-UHFFFAOYSA-N 266.301 -0.643 10 10 CBCE NCc1nc(=NS(=O)(=O)Cc2ccc(N)cc2)s[nH]1 1876414663 XKZZHJXADOCOPE-UHFFFAOYSA-N 299.381 -0.057 10 10 CBCE O=C1C[C@@H](c2ccc(O)c(O)c2O)[C@@H](C(=O)O)C(=O)N1 1951852140 BVSUBYHETHKSRL-YLWLKBPMSA-N 281.220 -0.366 10 10 CBCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](CN)C1 1971551434 MEEANRULRCTROM-LLVKDONJSA-N 279.340 -0.258 10 10 CBCE CS(=O)(=O)N1CC(NC(=O)c2ccc(O)c(O)c2)C1 2089183184 CBNVBGJCTABSGX-UHFFFAOYSA-N 286.309 -0.529 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)CC(CO)CO 2094029706 WGHBVZIBVUGMIX-UHFFFAOYSA-N 267.329 -0.260 10 10 CBCE NC[C@@H]1C[C@H](O)CN1C(=O)c1cc(O)c(O)c(O)c1 2132414581 YJLXOMVOKKYLPT-YUMQZZPRSA-N 268.269 -0.663 10 10 CBCE Cc1cccc(CNS(=O)(=O)N2CC(CN)C2)c1O 2139762851 VPPBSUMAWPCTLI-UHFFFAOYSA-N 285.369 -0.074 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](CO)C[C@H]3CO)ccc21 2146081196 NUMUFFIDYRHSLZ-FWDPORAESA-N 277.324 -0.182 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ncncn1 2149652750 LLHGQNNRCXTAJZ-QMMMGPOBSA-N 275.268 -0.209 10 10 CBCE COc1ccc(N2CCN(C(=O)[C@H](O)CN)CC2)cc1 2176841708 LUPHGMDICZPINO-CYBMUJFWSA-N 279.340 -0.337 10 10 CBCE CN(C(=O)C1=C[C@H](O)[C@H](N)C1)c1ccc(C(=O)O)cn1 2188030760 MEDXJYXOWGOXQS-ZJUUUORDSA-N 277.280 -0.239 10 10 CBCE CN(C)[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)C[C@@H]1O 2188868491 SABLYJBRGDNILO-KCJUWKMLSA-N 282.296 -0.450 10 10 CBCE NC(=O)[C@@H]1[C@H]2CN(c3ccc4c(c3)NC(=O)[C@@H]4O)C[C@H]21 2201278114 LCHUXARBMAYIGK-LLHIFLOGSA-N 273.292 -0.160 10 10 CBCE NCCOCCOCCNC(=O)c1cccc(O)c1O 2233848673 QSBLOMSQYGFDKO-UHFFFAOYSA-N 284.312 -0.181 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1c(F)cc(CN)cc1F 2234075777 SHRIDWJDJPKFEU-MDZLAQPJSA-N 288.294 -0.020 10 10 CBCE N[C@@H]1C[C@@]2(NC(=O)c3cc(O)c(O)c(O)c3)CO[C@H]1C2 2281289373 KCDQPYKMAASHQW-IDALBHDPSA-N 280.280 -0.208 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@@H](CO)C3)ccc21 2289403893 KOUWZAGQLZSJMX-QPKOPYBWSA-N 278.352 -0.217 10 10 CBCE Nc1ccc(NC(=O)N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1 2289487974 FEPNNOVUAFNMJC-UWJYBYFXSA-N 281.312 -0.553 10 10 CBCE Nc1ccc(CCN2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311714520 AQUVAYXANPTDHQ-XQQFMLRXSA-N 252.314 -0.790 10 10 CBCE COc1cccc(CNC(=O)[C@H](O)CCN)c1O 83398231 RFEKEVLZHDVGBI-SECBINFHSA-N 254.286 -0.273 10 10 CBCE CN1C[C@@H](NC(=O)COc2ccc(N)cc2)C(=O)N1 393907515 QGRNNYYBJDTTFA-SNVBAGLBSA-N 264.285 -0.891 10 10 CBCE CNC(=O)NCCNS(=O)(=O)Cc1ccc(N)cc1 397428006 MDSJIXACKXQPMS-UHFFFAOYSA-N 286.357 -0.383 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@@H]3CCNC3=O)cc21 1916805109 YWXLKTCZKZJCSH-ZYHUDNBSSA-N 274.324 -0.013 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CNCCOC1 1971206017 ZKZJYNLZJVJPRI-JTQLQIEISA-N 266.297 -0.255 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@]2(CO)C1 2029640345 ZYDKZYWATQBJDX-QPUJVOFHSA-N 250.254 -0.053 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)C[C@@H](O)C1 2043182037 NBWHTHITPWQXQP-DTORHVGOSA-N 253.254 -0.335 10 10 CBCE CN(C)c1ccc(CNC(=O)[C@@H]2CNCCN2)cc1 2104185180 JZRBHOWCDJGAEJ-ZDUSSCGKSA-N 262.357 -0.070 10 10 CBCE COc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)ccc1CN 2139683244 SRLBEJBOEJNXLM-GVXVVHGQSA-N 268.313 -0.943 10 10 CBCE COC(=O)C1(O)CN(c2ccc(CN)c(OC)c2)C1 2139699288 SRGSYAYVIGYAPG-UHFFFAOYSA-N 266.297 -0.122 10 10 CBCE COC(=O)[C@H](N)CS(=O)(=O)NCc1ccccc1O 2270543145 VNDLOKZCNWNEDF-SECBINFHSA-N 288.325 -0.688 10 10 CBCE O=C(NCC(F)(F)C1(O)CNC1)c1ccc(O)c(O)c1 2288513087 JGMLJLMZDVUUDW-UHFFFAOYSA-N 288.250 -0.203 10 10 CBCE Nc1ccc(OCC(=O)NC[C@H]2C[C@@H](N)[C@H](O)C2)cc1 2357174613 QOZIRVXKAMUNHM-ZWKOPEQDSA-N 279.340 -0.138 10 10 CBCE NC(=O)N/C=C1\SC(=S)N(CC(=O)O)C1=O 12139090 OUXVMQHUZHWPJW-IWQZZHSRSA-N 261.284 -0.559 10 10 CBCE NC(=O)[C@H]1C[C@H](O)CN1C(=O)CCc1ccc(N)cc1 103475763 AUTWUHCUGPLRRL-NWDGAFQWSA-N 277.324 -0.352 10 10 CBCE N[C@@H]1CCOC[C@@H]1NC(=O)c1cccc(O)c1O 710980472 DPPPMXWEAAWPNO-BDAKNGLRSA-N 252.270 -0.056 10 10 CBCE N=c1[nH]c(=NCCOc2ccc(N)cc2)[nH]cc1N 1876243739 UQGCBLLYWPUYAZ-UHFFFAOYSA-N 260.301 -0.034 10 10 CBCE O=C(N[C@@H]1CO[C@@H]2CNC[C@@H]12)c1cccc(O)c1O 2121654775 WCYGZRXJXJICSX-IQJOONFLSA-N 264.281 -0.186 10 10 CBCE O=C(N[C@@H]1C(=O)NC[C@H]1C(=O)O)c1ccc(O)c(O)c1 2144414569 HKSNSBSAIVCUII-MUWHJKNJSA-N 280.236 -0.973 10 10 CBCE O=C1Nc2cc(N3C[C@H]4C[C@H]3[C@H](O)[C@H]4O)ccc2[C@H]1O 2160704415 QCGDYPAUJMUPSJ-XBIGMKJDSA-N 276.292 -0.398 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCOC1=O 2286874078 SRHOVYNXKPLAQL-IUCAKERBSA-N 280.280 -0.601 10 10 CBCE NC[C@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2318628413 BKIVMIDYPFILQS-NSHDSACASA-N 252.270 -0.698 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H]2CS(=O)(=O)[C@H]2C1 2336461233 QKIYQFZFBYJPGP-XVKPBYJWSA-N 283.305 -0.033 10 10 CBCE O=C1CCN(C(=O)c2cc(O)nc(O)c2)CCN1 62098532 GFRHTPDAOYACPY-UHFFFAOYSA-N 251.242 -0.545 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@@H]1NCCc2cc(O)c(O)cc21 83724773 PSQTTWGMCUUXOL-MXWKQRLJSA-N 269.253 -0.909 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCC(CO)(CO)C3)ccc21 694723750 PXPMEVBRTRCGAX-LBPRGKRZSA-N 277.324 -0.180 10 10 CBCE CC(=O)C(=O)COC(=O)[C@@H]1CCCCN1S(C)(=O)=O 808505055 RHADUUUENBDHKV-VIFPVBQESA-N 291.325 -0.498 10 10 CBCE CN(C)c1ccc([C@H](N)CNC(=O)CC(N)=O)cc1 843297049 FJNSIBYHMZOYFP-LLVKDONJSA-N 264.329 -0.256 10 10 CBCE COC(=O)[C@@]1(O)CCN(C(=O)c2cccc(O)c2O)C1 1643516674 OZUWDZTZJZGFNJ-CYBMUJFWSA-N 281.264 -0.152 10 10 CBCE NCCN(CCO)C(=O)CCOc1ccc(N)cc1 1876485766 ACZSTXHAJYWLKR-UHFFFAOYSA-N 267.329 -0.183 10 10 CBCE COC1(C(N)=O)CN(C(=O)Cc2ccc(N)cc2)C1 2104899119 VUNYOQQZBFMEQE-UHFFFAOYSA-N 263.297 -0.476 10 10 CBCE O=C(O)C[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2132348881 VBOJZLHZVQAYOV-LURJTMIESA-N 271.225 -0.631 10 10 CBCE C[C@H](O)[C@H]1C[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2182274828 IOGXKZWIZSWOGC-CDEVMZEPSA-N 280.324 -0.147 10 10 CBCE Cn1nncc1S(=O)(=O)Nc1ccc(O)c(N)c1 2220568952 QTMIBHDZWDLTFY-UHFFFAOYSA-N 269.286 -0.096 10 10 CBCE Cc1cc(N2CCNC(=O)[C@H]2C(N)=O)ccc1[C@H](C)O 2285177173 YTTOUTFNGQCNFY-JOYOIKCWSA-N 277.324 -0.162 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(C=O)c1 2289400811 DEHRSEVVNQGCGQ-SWHYSGLUSA-N 281.308 -0.342 10 10 CBCE COc1nc(NC(=O)c2cc(O)nc(O)c2)n[nH]1 129536466 AKHGTDPNRWNYCC-UHFFFAOYSA-N 251.202 -0.128 10 10 CBCE Cn1nc(NCc2ccccc2O)c(=O)n(C)c1=O 133740796 HYBKDVDYNWUEMI-UHFFFAOYSA-N 262.269 -0.203 10 10 CBCE Nc1ccc(CN2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1 1892781249 SWEKLHGNWVLTLW-LLVKDONJSA-N 284.337 -0.048 10 10 CBCE CO[C@H]1CNCC[C@]1(NCCCN=[N+]=[N-])C(N)=O 1912190169 ZWXYQUWCUUQVKZ-WCBMZHEXSA-N 256.310 -0.491 10 10 CBCE Nc1ccc(OCCS(=O)(=O)Nn2cnnc2)cc1 2089406834 VTFJAPSKZCHWJA-UHFFFAOYSA-N 283.313 -0.187 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@]2(C[C@@H](O)CO2)C1 2201758276 LUDXYKHKMIJSBH-RNCFNFMXSA-N 280.280 -0.141 10 10 CBCE CC(=O)NC1=NC(=O)C(=CN2CCOCC2)S1 2294073336 UWYDGRMOCAXDLJ-UHFFFAOYSA-N 255.299 -0.075 10 10 CBCE Cc1cc([C@H](C)N)ccc1N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2333977458 QSTXXHLHNVGECQ-WTDIUWLJSA-N 266.341 -0.083 10 10 CBCE N[C@H](C(=O)NC[C@@H](O)CO)c1cccc(F)c1O 83429647 ZKEUAWOFNHTNGJ-MUWHJKNJSA-N 258.249 -1.000 10 10 CBCE CC[C@H](O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 124964755 YAIRFZOJIPLBPL-UWVGGRQHSA-N 268.313 -0.145 10 10 CBCE CO[C@H]1CNC[C@H]1NC(=O)c1ccc(O)c(O)c1 234901948 LXXGOYLHJISPHR-KCJUWKMLSA-N 252.270 -0.186 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@@](O)(CO)C2)cc1 313643005 JTQNLPTXLHXGKP-LBPRGKRZSA-N 286.353 -0.472 10 10 CBCE Nc1ccc(OCCN2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1 386987482 ODJBXECIQDUSIG-VXGBXAGGSA-N 275.308 -0.148 10 10 CBCE Nc1ccc(CC(=O)N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1 387160310 LLZYIHXZMWPGGW-QWRGUYRKSA-N 273.292 -0.458 10 10 CBCE CS(=O)(=O)C1CN(C(=O)c2cccc(O)c2O)C1 1451464987 BTLACXXYOZSVIZ-UHFFFAOYSA-N 271.294 -0.033 10 10 CBCE N[C@@H]1COC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 2091748986 UYYPESXZHZLQDG-NXEZZACHSA-N 266.297 -0.270 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2104422835 JPEUEGCYIHEGCP-FCMYFTRRSA-N 265.265 -0.336 10 10 CBCE O=C(NC1COCCOC1)c1cc(O)c(O)c(O)c1 2132348590 OQIMDDIUYLAREK-UHFFFAOYSA-N 269.253 -0.051 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)[C@H](O)[C@@H]1CF 2140657999 KFAATIUUPQSYJQ-OVYXKVPISA-N 271.244 -0.387 10 10 CBCE N[C@H]1C(=O)NC[C@@H]1c1nc(-c2ccc(O)c(O)c2)no1 2144406535 PHNCYEZMYVMDTR-IMTBSYHQSA-N 276.252 -0.312 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)[C@@H]4COC[C@@H]43)ccc21 2158409575 ONPWKJKXOGRBAE-IXOXFDKPSA-N 275.308 -0.166 10 10 CBCE COC(=O)[C@H](CC(=O)O)NC(=O)c1cc(O)nc(O)c1 2159006974 WXHMPFVQZGLLPJ-LURJTMIESA-N 284.224 -0.761 10 10 CBCE Cn1nc(OCCc2ccc(N)cc2)c(=O)n(C)c1=O 2176333267 ZBFQIVVTTXQJNZ-UHFFFAOYSA-N 276.296 -0.317 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@H](N)[C@H](CO)C2)cc1 2191637317 IMCXUMIJGIYXTM-AAEUAGOBSA-N 299.396 -0.260 10 10 CBCE COc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(CO)c1 2235999252 HKNHBQJOZDCUJI-QWRGUYRKSA-N 276.292 -0.104 10 10 CBCE CO[C@H]1[C@@H](NC(=O)c2cc(O)nc(O)c2)C[C@H]1O 2258677070 RBOGFAKSRJWJIN-PJKMHFRUSA-N 254.242 -0.629 10 10 CBCE [N-]=[N+]=N[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@H]1CO 5884936 HETOJIJPBJGZFJ-NGJCXOISSA-N 292.259 -0.340 10 10 CBCE CN(C)C(=O)[C@H]1CNCCN1C(=O)c1cccc(O)c1O 126692421 MNTOORCDPVMPOU-SNVBAGLBSA-N 293.323 -0.400 10 10 CBCE CN1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CC1=O 388407739 ZKTQSCWRBHZQAH-LLVKDONJSA-N 283.353 -0.081 10 10 CBCE Nc1cc2c(cc1N1CCOC[C@@H](O)C1)NC(=O)CO2 399895530 ISDAXPRVNKANLS-QMMMGPOBSA-N 279.296 -0.203 10 10 CBCE COc1cccc(CN2CCOC[C@]2(CN)CO)c1O 693978902 UYRYCZCQSOPZLV-AWEZNQCLSA-N 282.340 -0.077 10 10 CBCE O=C(Cn1c(O)nnc1O)NCc1ccccc1O 1465990859 UUIGVGBONZMZAH-UHFFFAOYSA-N 264.241 -0.289 10 10 CBCE COc1cccc(CNC(=O)Cn2cnc(N)n2)c1O 1566373768 DLFUSWMJKHUCFY-UHFFFAOYSA-N 277.284 -0.109 10 10 CBCE O=C(N[C@@H]1CCOC[C@H]1CO)c1cc(O)nc(O)c1 1878696212 OVUZSCUVGAHQAG-RKDXNWHRSA-N 268.269 -0.380 10 10 CBCE OCC(O)(CO)CN[C@H]1CCc2cccc(O)c21 1913786278 JMRJOHXHQGVLEJ-JTQLQIEISA-N 253.298 -0.315 10 10 CBCE O=c1c2c(ccn1CC1CS(=O)(=O)C1)CCNC2 2033370507 JWSTZUZUJPYJDV-UHFFFAOYSA-N 268.338 -0.461 10 10 CBCE Cc1cccc(CNCCCNS(N)(=O)=O)c1O 2039814237 SFTUPTJZWZNSID-UHFFFAOYSA-N 273.358 -0.027 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@@H]2[C@H]1CO 2078308213 USTCEAJVASHEKD-XHNCKOQMSA-N 250.254 -0.054 10 10 CBCE C[C@@H](O)CN(CCO)C(=O)Cc1ccc(O)c(O)c1 2087726257 FMWFOQYOWOZBBX-SECBINFHSA-N 269.297 -0.158 10 10 CBCE NS(=O)(=O)NCCNCc1cc2c(cc1O)OCO2 2101344478 WEIJOZJALTWAMC-UHFFFAOYSA-N 289.313 -0.996 10 10 CBCE CN(C)c1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)cc1 2108829948 GXJFRSNDDWKEFZ-ZOBORPQBSA-N 266.341 -0.303 10 10 CBCE C[C@H](O)[C@H](CO)NC(=O)CCOc1ccc(N)cc1 2117477008 AGLQGXSZQVCCDG-CABZTGNLSA-N 268.313 -0.104 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H](O)C[C@@H](O)C1 2132351622 YVLGZVGVEVDCGE-HTQZYQBOSA-N 269.253 -0.629 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1 2160716180 LFTFKCFBIAYEER-MGNUUCGSSA-N 278.308 -0.400 10 10 CBCE CN1C(=O)[C@H](N)c2ccc(N3C[C@@H](O)C[C@@H](O)C3)cc21 2161357585 RDJBNPQUEUPMEA-GBIKHYSHSA-N 277.324 -0.405 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2NCCO[C@H]2C1 2188923929 NNYXRRUMZCRNFM-KWQFWETISA-N 280.280 -0.384 10 10 CBCE Nc1ccc(CCC(=O)N2CC(CS(N)(=O)=O)C2)cc1 2194430649 WVHWXAYSWOVCRM-UHFFFAOYSA-N 297.380 -0.052 10 10 CBCE OC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc(OCF)cc1 2263851715 WAONGOLBQOFZBP-UTUOFQBUSA-N 257.261 -0.105 10 10 CBCE CS(=O)(=O)NCCNCc1ccc(O)cc1O 20203081 WEXNIOPFJUIYOV-UHFFFAOYSA-N 260.315 -0.263 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)NCc1ccc(N)cc1 312008250 STPVPSOFJGBTPX-UHFFFAOYSA-N 286.357 -0.719 10 10 CBCE Nc1ccc(OC[C@H](O)CN2C[C@@H](O)[C@@H](CO)C2)cc1 317705247 SNWZCRXNIXHUIU-MPKXVKKWSA-N 282.340 -0.707 10 10 CBCE CN1C(=O)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1=O 1568122114 AJQFPUAXTGRGCK-HYYFJVDXSA-N 290.275 -0.016 10 10 CBCE COc1ccc(CNC(=O)Cn2cnc(N)n2)c(O)c1 1639456031 VCHQGHMPSVTVFJ-UHFFFAOYSA-N 277.284 -0.109 10 10 CBCE Nc1ccc(CC(=O)NC[C@@H]2COC[C@@H]2O)cc1 2036563510 DGGGEFKWJBAZLL-PWSUYJOCSA-N 250.298 -0.065 10 10 CBCE O=C(NCc1ccccc1O)[C@]1(CO)CCNC1 2041901069 WMTFHKMEVVCCID-CYBMUJFWSA-N 250.298 -0.020 10 10 CBCE O=C(NCc1nc(=O)o[nH]1)c1ccc(O)c(O)c1 2052653235 CJMJGVWJFPZKKY-UHFFFAOYSA-N 251.198 -0.296 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)cc1C 2108831930 NNALQGVWBAMFEQ-XWUBHJNHSA-N 267.325 -0.052 10 10 CBCE CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC(=O)NC1=O 2114739084 CXABCCCKSUUYGV-SNVBAGLBSA-N 261.281 -0.315 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1ccc(O)cc1O 2142489830 GSKVEZRTWHFXTL-JQWIXIFHSA-N 287.337 -0.001 10 10 CBCE CO[C@H]1CNC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 2148018286 CDQBJHKCTSCUTJ-GWCFXTLKSA-N 280.324 -0.009 10 10 CBCE Nc1ccc(CCCN2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)cc1 2200908448 WRRIGJNBAQVXAB-RWMBFGLXSA-N 280.324 -0.308 10 10 CBCE CO[C@@H]1[C@H](N)C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2271152820 TTYHIWDMTZGPTJ-OPVBNTEQSA-N 268.269 -0.352 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H](O)CN1 2279260421 DPMLBLFOBGAPTL-WDEREUQCSA-N 280.324 -0.131 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CC[C@H]2[C@H](O)CO)cc1 2286209684 OMAFYWGAYVBGMA-KWCYVHTRSA-N 282.340 -0.564 10 10 CBCE CO[C@@H]1C[C@H](N)CN(C(=O)c2cc(O)nc(O)c2)C1 2344617884 CIKPZSGOLAIANX-DTWKUNHWSA-N 267.285 -0.319 10 10 CBCE O=C(CN1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O)c1ccc(O)c(O)c1 2354470908 GHLUFRWNJBHGSE-LBLXLQPISA-N 279.292 -0.294 10 10 CBCE NC(=O)[C@@H](c1cc(F)ccc1O)N1CCNCC1 236179237 WCNULUAOGFRUGI-LLVKDONJSA-N 253.277 -0.037 10 10 CBCE O=C(N[C@@H]1COC[C@@H]1C(=O)O)c1ccc(O)c(O)c1 236438291 MSQUOSDWPDFSLD-JGVFFNPUSA-N 267.237 -0.073 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](CO)[C@@H](O)C1 316112847 LCKBWPCAWOYEFW-KWQFWETISA-N 253.254 -0.477 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@@H](O)C1 400006010 YTQBWQUNPIKDMY-QMMMGPOBSA-N 253.254 -0.069 10 10 CBCE O=C1CN(Cc2cc(F)ccc2O)[C@H](C(=O)O)CN1 1963614033 FHLIEOUWMUSUDG-VIFPVBQESA-N 268.244 -0.084 10 10 CBCE C[C@H](O)[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2068579470 XNKPNEKQTOYEBW-CDUCUWFYSA-N 257.242 -0.725 10 10 CBCE CS[C@@H]1CNC[C@H]1NC(=O)c1cc(O)nc(O)c1 2084772355 MJHVSWBYLAXHQD-HTQZYQBOSA-N 269.326 -0.074 10 10 CBCE CNC1(C(N)=O)CN(c2ccc3c(c2)CCN3C)C1 2109488215 WYXZQDMANMARTH-UHFFFAOYSA-N 260.341 -0.058 10 10 CBCE O=CN1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 2132418262 IJLSCNUWBAMFHX-UHFFFAOYSA-N 266.253 -0.282 10 10 CBCE CN(CC(CO)CO)C[C@H](O)COc1ccc(N)cc1 2150414501 FNYQERHCYJJMQM-ZDUSSCGKSA-N 284.356 -0.459 10 10 CBCE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1c(N)cccc1C(=O)O 2192675887 JIFJDHKNJFIHJC-ZJUUUORDSA-N 299.352 -0.236 10 10 CBCE NC(=O)C1[C@@H]2CN(CC(=O)c3ccc(O)c(O)c3)C[C@@H]12 2201291875 CAHSDZBNJLFFJY-RKDXNWHRSA-N 276.292 -0.056 10 10 CBCE N=c1nnc(OCCCOC2CCNCC2)n[nH]1 2219013990 ZGWBVUFMPOEUHE-UHFFFAOYSA-N 254.294 -0.783 10 10 CBCE Cc1cc(CO)ccc1N1C[C@@H](O)[C@@H](O)[C@H]1CO 2311702167 SPGBJKUNKSZCEW-UPJWGTAASA-N 253.298 -0.610 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](O)[C@@H](O)[C@@H]1CF 2333231707 GHSKHBXEYFQASH-XROYCOCOSA-N 271.244 -0.387 10 10 CBCE N[C@H]1C[C@]2(NC(=O)c3cc(O)nc(O)c3)CO[C@H]1C2 2334241908 RIGNITONFLRCEL-YVZVNANGSA-N 265.269 -0.519 10 10 CBCE C[C@@H](C(=O)NC(N)=O)N(CC(N)=O)Cc1ccc(N)cc1 35366663 JGIBAJOZSKELFJ-QMMMGPOBSA-N 293.327 -0.861 10 10 CBCE O=C(O)c1cc(O)ccc1NC(=O)c1c[nH]c(=O)[nH]c1=O 48847048 BIZZWMKJZJXOOY-UHFFFAOYSA-N 291.219 -0.281 10 10 CBCE COCCNC(=O)[C@H](C)NC(=O)c1cccc(O)c1O 126532748 OSURPTVQEQONCZ-QMMMGPOBSA-N 282.296 -0.021 10 10 CBCE NC(=O)OCCNC(=O)COc1ccc(N)cc1 135147541 LBZXRLZMTUXXQA-UHFFFAOYSA-N 253.258 -0.141 10 10 CBCE CN1CC[C@](O)(CNCc2ccc(O)c(O)c2O)C1 702654846 WXWMQIVJEIEJTG-ZDUSSCGKSA-N 268.313 -0.040 10 10 CBCE Cc1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)c(O)c1O 1299099835 CZWMYBSVZJJCCQ-SECBINFHSA-N 292.295 -0.211 10 10 CBCE COC[C@@H](NC(=O)Nc1ccc(N)cc1)C(N)=O 2034938861 FKZRXJJUAUODIF-SECBINFHSA-N 252.274 -0.109 10 10 CBCE CO[C@H]1CNC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 2049782512 JSUHVLMBVVHXKX-XWLWVQCSSA-N 254.330 -0.124 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](CO)C[C@@H]1CO 2089869610 FFMQTZBBHPOUSW-WCBMZHEXSA-N 267.281 -0.087 10 10 CBCE O=S1(=O)C[C@@H](NCc2ccc(O)c(O)c2O)[C@@H](O)C1 2121363295 GYJHDYSVNLMOEM-APPZFPTMSA-N 289.309 -0.949 10 10 CBCE O=S1(=O)C[C@H](O)[C@@H](NCc2ccc(F)c(F)c2O)C1 2121364126 MJQKMYJZWZCTTQ-IUCAKERBSA-N 293.291 -0.082 10 10 CBCE O=C(NC[C@@H]1CNC2(CC2)CO1)c1cc(O)nc(O)c1 2185706626 VJTSYJCOOZVJGG-SECBINFHSA-N 279.296 -0.256 10 10 CBCE O=C(N[C@@H]1CO[C@H]2COC[C@@H]12)c1cc(O)c(O)c(O)c1 2188916006 MKVWBZLDEUHIAC-RNSXUZJQSA-N 281.264 -0.053 10 10 CBCE C[C@]1(O)CN(c2ccc3c(c2)NC(=O)[C@H]3O)CC[C@@H]1O 2201542525 HSNSMRYWAYDCIF-OBJOEFQTSA-N 278.308 -0.006 10 10 CBCE COc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(CN)c1 2227681247 AVXWAFWAOXVEHA-RWMBFGLXSA-N 268.313 -0.943 10 10 CBCE NC(=O)NC(=O)CN1CCN(c2ccc(N)cc2)C1=O 2236804343 RFLWDUZHIKAKSE-UHFFFAOYSA-N 277.284 -0.294 10 10 CBCE O=C(O)[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 2295622046 KMAKRBYIHRZGFT-HTQZYQBOSA-N 282.252 -0.600 10 10 CBCE O=CN1CCN(C(=O)CN2C(=O)CSC2=S)CC1 82304541 UZRPSEOABOUITB-UHFFFAOYSA-N 287.366 -0.853 10 10 CBCE CNCCCNC(=O)[C@@H](N)c1ccc(O)c(O)c1O 83513281 OOJSDHWCZFCKKF-VIFPVBQESA-N 269.301 -0.471 10 10 CBCE Nc1ccc(OCCC(=O)OC[C@@H](O)CO)cc1 130729648 YWJKVIRXLRLTAD-JTQLQIEISA-N 255.270 -0.066 10 10 CBCE NC(=O)COCCNC(=O)[C@@H]1CNc2ccccc2N1 230070147 DSDUBTSOPLFUFG-NSHDSACASA-N 278.312 -0.489 10 10 CBCE OCC(CO)(CO)NCc1cc(Cl)ccc1O 236496195 IZJLGGGVAQSLNO-UHFFFAOYSA-N 261.705 -0.149 10 10 CBCE O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@H](CO)C1 396791631 CXDPPYVZHMCPRM-WPRPVWTQSA-N 267.281 -0.087 10 10 CBCE NCc1ccc(N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 693390698 LTQCNRPHRAFZJT-GHMZBOCLSA-N 262.313 -0.832 10 10 CBCE O=C(c1cc(O)cs1)N1CC2(C[C@@H](O)CNC2=O)C1 1124026346 AQXZNMRGMLYALF-MRVPVSSYSA-N 282.321 -0.223 10 10 CBCE O=C1NC(=O)C2(CN(C(=O)c3cccc(O)c3O)C2)N1 1472358233 NMPSJAFFWUANJN-UHFFFAOYSA-N 277.236 -0.868 10 10 CBCE NC(=O)[C@@H]1OCC[C@H]1NCc1ccc(O)cc1O 2053781447 XWZWZJPVGLLTAU-MWLCHTKSSA-N 252.270 -0.170 10 10 CBCE NC[C@@H](O)CNC(=O)CCOc1ccc(N)cc1 2071848316 OEBWKZXQZLPGDA-SNVBAGLBSA-N 253.302 -0.527 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](CO)[C@H](CCO)C1 2149911191 FLFSTPRPSDZRAW-SCZZXKLOSA-N 282.296 -0.444 10 10 CBCE O=C1N[C@H]2CN(c3ccc(CO)cc3F)C[C@H]2NC1=O 2166791484 SVXOKBSBQNDTOI-AOOOYVTPSA-N 279.271 -0.879 10 10 CBCE O=C(O)C[C@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 2174352298 RNIYLUYJUQIAJL-YUMQZZPRSA-N 282.252 -0.600 10 10 CBCE COc1ccc(O)c(CN[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)c1 2177944795 OIAUJBXPBDQXPA-RCCPXBDUSA-N 283.324 -0.407 10 10 CBCE N[C@@H]1CC(C(=O)N2CC(=O)Nc3ccccc32)=C[C@@H]1O 2188020775 LNNBIDUGLTYLRT-SKDRFNHKSA-N 273.292 -0.010 10 10 CBCE NC[C@H]1COCCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188908774 FXTPWBVZERHDFH-MRVPVSSYSA-N 282.296 -0.149 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 2191634896 QGDPISHLGHBSSQ-ITGUQSILSA-N 297.380 -0.215 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCO[C@H]3CNC[C@H]32)cc1 2191785025 UZMJJDIKXRWNQZ-OLZOCXBDSA-N 297.380 -0.229 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N=c1nc[nH]s1 2232168957 YHJQZKQVVXBDMT-ZETCQYMHSA-N 280.309 -0.120 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)Cc1ccc(N)cc1 2233873918 QPKRLIIQOOZBKO-MBNYWOFBSA-N 280.324 -0.610 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCOCCO 40830919 CAPXKJFJQPCZEP-JTQLQIEISA-N 284.312 -0.907 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)NCCCCN=[N+]=[N-] 311208315 NUNRYLCLKJZSEH-UHFFFAOYSA-N 278.338 -0.411 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CC[C@@](O)(CO)C3)cc21 313672380 AXJHJCFXNPPNSF-JSGCOSHPSA-N 277.324 -0.404 10 10 CBCE CN(CC(=O)c1ccc(O)c(O)c1)[C@H]1COC[C@H]1O 708138351 LYGSUVKDIQUBIS-TVQRCGJNSA-N 267.281 -0.028 10 10 CBCE O=C(NC[C@@H]1C[C@H]1C(=O)O)c1cc(O)nc(O)c1 715370113 RABRFJURNUXMFD-NKWVEPMBSA-N 252.226 -0.057 10 10 CBCE C[C@@]1(CO)CNCCN1C(=O)c1cc(O)nc(O)c1 719181081 NJWOLJLXBNUGID-LBPRGKRZSA-N 267.285 -0.711 10 10 CBCE CN(C)S(=O)(=O)CC(=O)NCc1ccc(O)c(O)c1 752598545 CCBMPZOYQGYJOJ-UHFFFAOYSA-N 288.325 -0.395 10 10 CBCE CNC(=O)NCC(=O)NCc1cc(O)ccc1O 1176748432 SJIMSRVJVFXGHO-UHFFFAOYSA-N 253.258 -0.357 10 10 CBCE CC(C)(O)[C@H](O)C(=O)NCc1c(O)cccc1O 1472063896 RVYQSYSZPDFDPR-SNVBAGLBSA-N 255.270 -0.154 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H]2[C@H]1CO 2078308212 USTCEAJVASHEKD-DJLDLDEBSA-N 250.254 -0.054 10 10 CBCE O=C(N[C@@H]1C[C@@H](O)C[C@@H]1O)c1cc(O)c(O)c(O)c1 2132349916 IMASTSMVGWYKNT-PRJMDXOYSA-N 269.253 -0.583 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)[C@@H](O)[C@@H]1CF 2140657997 KFAATIUUPQSYJQ-ARENWVFISA-N 271.244 -0.387 10 10 CBCE NCc1ccc(N2C[C@H]3NC(=O)C(=O)N[C@@H]3C2)cc1Cl 2166790765 KJTPQOKBOWZXIU-GHMZBOCLSA-N 294.742 -0.398 10 10 CBCE Nc1ccc(NC(=O)CN2CCNCCNCC2)cc1 2236196626 GQWRLYLEBBRPDP-UHFFFAOYSA-N 277.372 -0.298 10 10 CBCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1 2311709558 LQZPPWKAFFHXFR-XQQFMLRXSA-N 252.314 -0.691 10 10 CBCE NC(=O)CC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O 40479030 BWIOFEQNQSEERC-SNVBAGLBSA-N 279.296 -0.354 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@@H](CO)C3)ccc21 221135951 IRVMCNKGGIXHKD-SKDRFNHKSA-N 263.297 -0.164 10 10 CBCE Nc1ccc(CC(=O)N2CC[C@@](O)(C(=O)O)C2)cc1 386886842 YWINUYNMSQGXKI-ZDUSSCGKSA-N 264.281 -0.141 10 10 CBCE CCN[C@@H]1CCOC[C@H]1NC(=O)c1cc(O)nc(O)c1 721632841 NQELEHGAWAGHMB-NXEZZACHSA-N 281.312 -0.010 10 10 CBCE C[C@@]1(CO)C[C@@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 1453749991 VAZFWWYPGKLTDM-YGRLFVJLSA-N 281.308 -0.016 10 10 CBCE O=C(c1cccc(O)c1O)N1CCOC[C@H]1c1nn[nH]n1 1454555228 SWZWARXAOQDAPY-QMMMGPOBSA-N 291.267 -0.175 10 10 CBCE CN1CC[C@](O)(CNC(=O)Cc2ccc(O)c(O)c2)C1 1638056893 ULUBVAOSQBKCHO-AWEZNQCLSA-N 280.324 -0.177 10 10 CBCE NC[C@@H]1COC[C@@H]1NC(=O)COc1ccc(N)cc1 1876450456 BNGLEWNJWRCOJE-SKDRFNHKSA-N 265.313 -0.263 10 10 CBCE NCCN1CCN(C(=O)Cc2ccc(N)cc2)CC1 1964341925 ONTHTHGDGAZSPO-UHFFFAOYSA-N 262.357 -0.086 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N3CC(C)(O)C3)c2n1 2063980483 ASWUDQVZFCJWBE-UHFFFAOYSA-N 262.269 -0.050 10 10 CBCE NCCN(CCO)C(=O)COc1ccc(N)cc1 2071708164 YVKHFVJIQVQDLN-UHFFFAOYSA-N 253.302 -0.573 10 10 CBCE CNCc1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1 2090139170 PULNRZWLPHUJNW-ZIAGYGMSSA-N 266.341 -0.036 10 10 CBCE CN(C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2144020788 WAMPXFZANIOEHW-VIFPVBQESA-N 282.296 -0.229 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CC[C@H]2[C@H](O)CO)cc1 2270710199 KWWRRODGIJMGLU-NWDGAFQWSA-N 286.353 -0.474 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1 2273692365 FQUQSHTZCADGKW-QIRAZROLSA-N 266.341 -0.143 10 10 CBCE COc1ncc(COc2nnc(=N)[nH]n2)cc1F 2325199252 HOHOJDNFHKBVCD-UHFFFAOYSA-N 252.209 -0.199 10 10 CBCE Nc1ccc(OCCNC(=O)Cn2cnnn2)cc1 63130466 VZTBUXVTFPGQRN-UHFFFAOYSA-N 262.273 -0.550 10 10 CBCE C[C@@H](O)CNCCNC(=O)c1cc(O)nc(O)c1 132130183 VYVWXPBCOXXWGB-SSDOTTSWSA-N 255.274 -0.807 10 10 CBCE CS(=O)(=O)CC[C@@H](N)C(=O)NCc1ccccc1O 166201103 YFCAASJNCZQFRK-SNVBAGLBSA-N 286.353 -0.230 10 10 CBCE CC(C)C(=O)N[C@@H](CO)C(=O)NCc1c(O)cccc1O 1635848100 ZZHNTHJSZJRIEL-JTQLQIEISA-N 296.323 -0.153 10 10 CBCE O=C1C[C@@H](c2ccc(O)c(O)c2O)[C@H](C(=O)O)N1 1951958298 YCMDPQNKYADGBB-YLWLKBPMSA-N 253.210 -0.140 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NC[C@H](O)CF)cc1 2093842170 KWQRBKXAMFGWIF-SNVBAGLBSA-N 292.332 -0.103 10 10 CBCE Nc1ccc(OCCNC(=O)C2CS(=O)(=O)C2)cc1 2097447819 NVGDUFMPTPPOMZ-UHFFFAOYSA-N 284.337 -0.192 10 10 CBCE CNCCOCCNC(=O)c1cc(O)c(O)c(O)c1 2132406133 FPKXCEOWJHKFOA-UHFFFAOYSA-N 270.285 -0.231 10 10 CBCE O=C(O)C[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)C[C@H]1O 2174352295 RNIYLUYJUQIAJL-HTQZYQBOSA-N 282.252 -0.600 10 10 CBCE C[C@]1(CO)CNCCN1C(=O)c1cc(O)c(O)c(O)c1 2188914470 AQROEAOGVKKZSF-CYBMUJFWSA-N 282.296 -0.400 10 10 CBCE COc1ccc(CN2C[C@H](O)[C@H](O)[C@H]2C(=O)O)c(O)c1 2200855349 BAFMXQDOVJCYRV-SRVKXCTJSA-N 283.280 -0.609 10 10 CBCE COc1cc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)ccc1CN 2204557393 PAKKGCMLFXZEEW-QWRGUYRKSA-N 275.308 -0.137 10 10 CBCE CCN(CCN=[N+]=[N-])S(=O)(=O)N1CC[C@H](O)C1 2300532029 OZURDHHBTNKOJV-QMMMGPOBSA-N 263.323 -0.070 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1 2312394077 ALENDPUIZPAFNA-UTUOFQBUSA-N 257.261 -0.263 10 10 CBCE CNS(=O)(=O)CCNCc1ccc(O)c(O)c1O 230980758 WUMOYBSTNZRXDF-UHFFFAOYSA-N 276.314 -0.558 10 10 CBCE O=C1CN(c2ccc3c(c2)OCO3)C[C@@H](CO)N1 259253241 MONQKPDALZIFKY-QMMMGPOBSA-N 250.254 -0.288 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CCC[C@@](O)(CO)C3)ccc21 314061371 XDWWWPVGZRXIBH-JSGCOSHPSA-N 277.324 -0.038 10 10 CBCE Cc1ccc(O)c(CNC(=O)CN2CC(=O)NC2=O)c1 862759492 DXUIYJFDVNITSM-UHFFFAOYSA-N 277.280 -0.131 10 10 CBCE CN1C[C@@H](C(=O)NCc2ccccc2O)NCC1=O 1340339071 DHFWTRIJSCDLKT-JTQLQIEISA-N 263.297 -0.561 10 10 CBCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H](O)[C@@H](CO)C1 1556967183 AYGVTKAIUZCXPH-YEGYTEFZSA-N 279.292 -0.077 10 10 CBCE CC(C)(O)[C@@H](O)C(=O)NCc1cc(O)ccc1O 1643881841 HUPIPNMBLUHLQG-JTQLQIEISA-N 255.270 -0.154 10 10 CBCE NC(=O)[C@H](O)CNCc1ccc2c(c1)CCCO2 2027296978 PGOSIWPYZITEPA-LLVKDONJSA-N 250.298 -0.053 10 10 CBCE O=C(NC[C@@H]1COC[C@H]1O)c1cc(O)nc(O)c1 2036581019 XMDLOZQUOGKHDL-HTQZYQBOSA-N 254.242 -0.770 10 10 CBCE COc1cccc(CN2CC(N)(C(N)=O)C2)c1O 2047098669 JJQNSEQKOVXBCK-UHFFFAOYSA-N 251.286 -0.601 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H]2C[C@H](C1)C2O 2052755383 QLQRMLYVOTUMTQ-OQJHAAMPSA-N 250.254 -0.054 10 10 CBCE Nc1ccc(NC(=O)NC(CO)(CO)CO)cc1 2071567940 FBVFMXDSCABHQR-UHFFFAOYSA-N 255.274 -0.894 10 10 CBCE C[C@@H](O)[C@@H]1CCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2182241391 QDJXVCMEKMQWBG-MIMYLULJSA-N 280.324 -0.051 10 10 CBCE Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)ccc1[C@H](C)O 2269678638 VWXBXZGEZXECBI-HBEIAFGSSA-N 267.325 -0.049 10 10 CBCE CO[C@H](CN)CNC(=O)Cc1ccc(O)c(O)c1 2317658130 JKZPHHMXEQHZPK-SECBINFHSA-N 254.286 -0.270 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2329332222 JPEUEGCYIHEGCP-MMSPYSMKSA-N 265.265 -0.336 10 10 CBCE NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459017 UJHZHCRWZSXGKU-UWVGGRQHSA-N 293.323 -0.556 10 10 CBCE CCOC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40464077 GPERTLSVMDOEFN-VIFPVBQESA-N 282.296 -0.353 10 10 CBCE Nc1ccc(-n2ccc(C(=O)NC[C@H](O)CO)n2)cc1 90281799 HTOSHGOWUYRNBS-NSHDSACASA-N 276.296 -0.463 10 10 CBCE O=C(NC[C@H]1CNCCCO1)c1cc(O)nc(O)c1 390018467 VSYBWMZGNOFJPQ-SECBINFHSA-N 267.285 -0.399 10 10 CBCE CN(C)Cc1cc([C@H](O)[C@@H](N)C(=O)O)ccc1O 1952357650 WGAKLYHHGSNYSU-MNOVXSKESA-N 254.286 -0.101 10 10 CBCE COc1cc([C@H]2CS(=O)(=O)NCCN2)cc(O)c1O 1952677554 IZTDIJSXGQTTFY-MRVPVSSYSA-N 288.325 -0.330 10 10 CBCE Cn1cc(C(=O)NCCCCN=[N+]=[N-])c(=O)n(C)c1=O 1963732197 JPCVMJSWHUMHAP-UHFFFAOYSA-N 280.288 -0.096 10 10 CBCE Cc1ccc(CN2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)c(O)c1 1974194396 MFCWZBMOYSUXRQ-PHIMTYICSA-N 275.308 -0.501 10 10 CBCE Nc1ccc(OCCS(=O)(=O)NOCCO)cc1 2070140178 CZKSYLSZIDGIPQ-UHFFFAOYSA-N 276.314 -0.509 10 10 CBCE O=C(CNO)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 2107265443 KMUMOANAKLVDIC-ZETCQYMHSA-N 270.241 -0.812 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CC[C@@H]2N 2128321386 KPAXHYZDIMQIBC-NSHDSACASA-N 262.313 -0.590 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@@H]2C[C@H](O)C[C@H]21 2185336441 FJBPVQQQSJRAJJ-OPRDCNLKSA-N 280.280 -0.143 10 10 CBCE CN(C(=O)C1=C[C@@H](O)[C@H](N)C1)c1cccn(C)c1=O 2224781431 HFZPVARAISJWQY-MWLCHTKSSA-N 263.297 -0.634 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(C=O)c1 2227694188 GJEXGOJLVYYZAM-AVGNSLFASA-N 267.281 -0.590 10 10 CBCE Nc1ccc(O)c(CN2C[C@H](O)[C@H](O)[C@@H](CO)C2)c1 2273791136 ISTGNVZPZGUWAP-JIMOISOXSA-N 268.313 -0.880 10 10 CBCE N[C@H](CO)c1nnc(-c2cc(O)c(O)c(O)c2)o1 83394536 WCOWORJURYVDET-RXMQYKEDSA-N 253.214 -0.155 10 10 CBCE CCN(CC(N)=O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 231817475 ISENRFJEZNSAJQ-VIFPVBQESA-N 281.312 -0.699 10 10 CBCE Nc1ccc(OCCC(=O)N2C[C@@H](O)[C@H](O)C2)cc1 236369315 QUVPMSQDAPEYBZ-VXGBXAGGSA-N 266.297 -0.398 10 10 CBCE C[C@H](O)[C@H](NC(=O)COc1ccc(N)cc1)C(=O)O 1860080297 BROBURREUBNXAE-CPCISQLKSA-N 268.269 -0.402 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(C(=O)Cn2nc(O)ccc2=O)C1 1912143379 FKTMWKXGPTZBRS-SSDOTTSWSA-N 264.245 -0.140 10 10 CBCE CN(CCN=[N+]=[N-])S(=O)(=O)N1CCC[C@H](O)C1 1912183689 SHIOJCMGPMLGAU-QMMMGPOBSA-N 263.323 -0.070 10 10 CBCE CN1C[C@@H](N)[C@H](NC(=O)c2cccc(O)c2O)C1 2029893832 OQEMYJXLEIQXCQ-RKDXNWHRSA-N 251.286 -0.531 10 10 CBCE Cc1ccc(O)c(CNCC(CO)(CO)CO)c1 2059274620 LORZQOMMFIRRKY-UHFFFAOYSA-N 255.314 -0.246 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@H](O)[C@@H]2COC[C@@H]21 2102191953 PBTUZHAZMTZLPZ-YWVKMMECSA-N 265.265 -0.071 10 10 CBCE O=C(N[C@H](CCO)C(=O)O)c1cc(O)c(O)c(O)c1 2132348893 VCLLRNNYKMRGSG-ZCFIWIBFSA-N 271.225 -0.631 10 10 CBCE Nc1ccc(O)c(CNC(=O)[C@H]2CN3CCN2CC3)c1 2155754424 MXIWTZREGZQAJR-GFCCVEGCSA-N 276.340 -0.410 10 10 CBCE C[C@@H](c1ccccc1O)N1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1 2166791552 UFTYDYKGAFQUCP-INTQDDNPSA-N 275.308 -0.248 10 10 CBCE Nc1ccc(OCC(=O)NC2CC(N)(C(=O)O)C2)cc1 2191671889 VCPUGHXMIQBKAY-UHFFFAOYSA-N 279.296 -0.292 10 10 CBCE CO[C@@H]1CN(c2cc3c(cc2N)OCC(=O)N3)C[C@H]1N 2191787694 IXWNLZWVNIJUTF-PRHODGIISA-N 278.312 -0.238 10 10 CBCE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccc(O)cc1 2258138350 JAERJOCTCPBATQ-VIFPVBQESA-N 274.298 -0.366 10 10 CBCE O=C(c1cccc(O)c1O)N1CC([C@H](O)CO)C1 2315159148 NLGIXYDJDZVDJC-SNVBAGLBSA-N 253.254 -0.477 10 10 CBCE N[C@H](CC(=O)O)C(=O)NCCc1ccc(O)c(O)c1 83496834 OWNNAKRKJQDNLF-MRVPVSSYSA-N 268.269 -0.442 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)[C@H](O)C3)c(Cl)cc21 300131167 FHMDJQSURHSFJQ-MXWKQRLJSA-N 283.715 -0.166 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCNC[C@H](O)C1 310704367 XVPJIJYNFYGDAL-VIFPVBQESA-N 252.270 -0.496 10 10 CBCE NC(=O)[C@@]1(O)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 312242948 CWSMKIHZLLSOPJ-GFCCVEGCSA-N 299.352 -0.979 10 10 CBCE CN(C)C[C@H](O)CNC(=O)COc1ccc(N)cc1 717402205 QBVDOHSJEDQVRB-LLVKDONJSA-N 267.329 -0.314 10 10 CBCE NS(=O)(=O)C1CN(C(=O)c2cc(O)cs2)C1 1556987652 QYCACFPPNQYTDE-UHFFFAOYSA-N 262.312 -0.433 10 10 CBCE C[C@@H](O)CNCCNS(=O)(=O)Cc1ccc(N)cc1 1876414159 QTFZKHQMBKSHAM-SNVBAGLBSA-N 287.385 -0.341 10 10 CBCE CN(CCN=[N+]=[N-])C(=O)Cn1ccc(=O)n(C)c1=O 1912211374 WGSYTVVQSNZBNJ-UHFFFAOYSA-N 266.261 -0.684 10 10 CBCE C[C@@]1(CF)[C@H]2CC[C@@]1(C(=O)NCCN)C(=O)C2=O 2078860252 RPWXVHQUCRMUQE-BPTDKIDVSA-N 256.277 -0.415 10 10 CBCE COC[C@](O)(CO)CNC(=O)Cc1ccc(N)cc1 2102392569 PLEGZSPJJDSKPN-CYBMUJFWSA-N 268.313 -0.703 10 10 CBCE NCCc1nc(NC(=O)c2ccc(O)c(O)c2)n[nH]1 2126767637 KPMNOKNISCCYII-UHFFFAOYSA-N 263.257 -0.031 10 10 CBCE O=C(N[C@@H]1CNCC[C@H]1O)c1cc(O)c(O)c(O)c1 2132347945 ALWDXVZXBXQARN-HTQZYQBOSA-N 268.269 -0.744 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)O 2136097986 ZUIWACDMDQOKPA-VNLLXPHSSA-N 267.281 -0.056 10 10 CBCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1C 2136342379 NMEKBUUNEXUPNJ-RDBSUJKOSA-N 266.341 -0.383 10 10 CBCE O=C(O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccc(O)c(O)c1 2144031386 ZANWDAYVUYWSDF-DTWKUNHWSA-N 281.264 -0.313 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC2(C1)OCCC[C@H]2O 2159649168 ZAIXVKKDRMRLDO-SECBINFHSA-N 280.280 -0.141 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@@H]2NC(=O)C(=O)N[C@H]2C1 2166791553 UFTYDYKGAFQUCP-MIMYLULJSA-N 275.308 -0.248 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CCN1Cc1c(O)cccc1F 2201083229 XTFNOHSRQSTCSA-SDDRHHMPSA-N 285.271 -0.088 10 10 CBCE NC(=O)[C@H]1CCCN1C[C@H](O)COc1ccc(N)cc1 36670158 VOYPUDGQOYFXLF-WCQYABFASA-N 279.340 -0.042 10 10 CBCE CN1NC(=O)[C@H](CC(=O)NCc2ccccc2F)C1=O 169995676 KAVRLTYWDNHURX-VIFPVBQESA-N 279.271 -0.049 10 10 CBCE NC(=O)COCCNS(=O)(=O)Cc1ccc(N)cc1 230030884 KHPWWCJNPPTHOS-UHFFFAOYSA-N 287.341 -0.810 10 10 CBCE Cn1nnc(COC(=O)COc2ccc(N)cc2)n1 236101596 GPIYWAHEOVLQKF-UHFFFAOYSA-N 263.257 -0.086 10 10 CBCE CS(=O)(=O)NCC(=O)NCCc1ccc(N)cc1 386344622 MCHLPBBXGHYZHJ-UHFFFAOYSA-N 271.342 -0.523 10 10 CBCE Cn1c(=O)ccn(CC(=O)NCCCN=[N+]=[N-])c1=O 701275613 PNWKNCGMWAEJHM-UHFFFAOYSA-N 266.261 -0.636 10 10 CBCE CN(CC(=O)Nc1ccc(N)cc1)[C@@H]1COC[C@@H]1O 709383701 KOSAJIXDDFQXBV-NEPJUHHUSA-N 265.313 -0.101 10 10 CBCE NCCOCCOCCNC(=O)Cc1ccc(N)cc1 1220519378 MDQLWBWYONMJGL-UHFFFAOYSA-N 281.356 -0.081 10 10 CBCE Nc1ccc(OCC(=O)NC[C@@H]2CNC[C@@H]2O)cc1 1876518999 IPQNBNQIJJLTJL-CABZTGNLSA-N 265.313 -0.656 10 10 CBCE NCC=CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1911940135 QSXXNUNMCLXHKG-VIFPVBQESA-N 280.280 -0.275 10 10 CBCE CCN(C(=O)c1cccc(O)c1O)[C@H]1CC(=O)NC1=O 1963705577 GTSPQMPMCPXHRV-QMMMGPOBSA-N 278.264 -0.025 10 10 CBCE NC(=O)[C@H]1CCN1c1cc2c(cc1F)[C@@H](O)C(=O)N2 2089369578 OZLKPQGXQOTRNC-PSASIEDQSA-N 265.244 -0.125 10 10 CBCE COC1(C(N)=O)CN(CC(=O)c2ccc(O)c(O)c2)C1 2161267844 SKUCGHQNQGDTIT-UHFFFAOYSA-N 280.280 -0.533 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2311710133 DYTSCFGDCUQNMI-TUAOUCFPSA-N 272.732 -0.299 10 10 CBCE C[C@@H](NC(=O)[C@@H](N)CS(C)(=O)=O)c1ccccc1O 2335433198 OQEBLUKCADYZBV-SCZZXKLOSA-N 286.353 -0.059 10 10 CBCE NC[C@H](O)c1nnc(CN2C(=O)CSC2=S)o1 83540727 NFDBXNLXUSWJEA-BYPYZUCNSA-N 274.327 -0.578 10 10 CBCE CNS(=O)(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 126354336 VLFWWFSWIJZVKC-ZETCQYMHSA-N 290.297 -0.853 10 10 CBCE COc1cccc(CNCCOCC(N)=O)c1O 230046574 HJAUJLSBXYZSEZ-UHFFFAOYSA-N 254.286 -0.008 10 10 CBCE C[C@](O)(CO)CNC(=O)/C=C/c1ccc(O)c(O)c1 801974030 MBUJFXUUGYAWPN-MASHWEEQSA-N 267.281 -0.030 10 10 CBCE C[C@H](Oc1ccc(N)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O 1860082825 UZSOHDOPSGQPER-FYBVGQRMSA-N 282.296 -0.014 10 10 CBCE O=C1C[C@@H](c2cc(O)nc(O)c2)[C@H](C(=O)O)C(=O)N1 1952376805 UCOALKUVBBACKN-CDUCUWFYSA-N 266.209 -0.676 10 10 CBCE CN1C[C@H](N)[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 2029893330 KYVPTMXJWIPETM-IUCAKERBSA-N 251.286 -0.531 10 10 CBCE NC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(O)nc(O)c1 2060806870 OXJJVSSIVZXBCJ-JGVFFNPUSA-N 253.258 -0.973 10 10 CBCE CN(CCN)S(=O)(=O)NCCc1ccc(O)c(O)c1 2104900135 JKZXQPMSMSXIOY-UHFFFAOYSA-N 289.357 -0.635 10 10 CBCE Nc1ccc(OCCC(=O)N2CC(O)(CO)C2)cc1 2115304977 CTDROPDQWPNBRU-UHFFFAOYSA-N 266.297 -0.397 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC1([C@@H](O)CO)CC1 2133589578 NDEVZJSOWSGGKI-NSHDSACASA-N 267.281 -0.358 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCO[C@H]2CCNC[C@H]21 2185550997 STANFNLVQOPJQJ-ZJUUUORDSA-N 279.296 -0.304 10 10 CBCE CO[C@@H]1CNCC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 2188926716 AWEPMQIXPRNPEI-LDYMZIIASA-N 282.296 -0.090 10 10 CBCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1O 2332921059 YFHIYZBRTYTAAR-SDTWEEQHSA-N 268.313 -0.685 10 10 CBCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H]1CCCN1 40486833 ZLOQZKZKMHZNSD-VHSXEESVSA-N 294.307 -0.038 10 10 CBCE NC(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccc(N)cc1 103475803 GJASVFGDRISFJE-ONGXEEELSA-N 279.296 -0.905 10 10 CBCE N#Cc1cc(CN)ccc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 386719911 ZRYJRMQYCRAKDV-PHIMTYICSA-N 270.292 -0.274 10 10 CBCE Nc1ccc(-n2nnc(C(=O)N3CCOCC3)n2)cc1 1857879164 WKNNJAROAJCWSZ-UHFFFAOYSA-N 274.284 -0.283 10 10 CBCE [N-]=[N+]=N[C@H]1CCN(CCS(=O)(=O)CCC(N)=O)C1 1912156686 PMVWAAQLZWKZHN-QMMMGPOBSA-N 275.334 -0.339 10 10 CBCE CN(CCN=[N+]=[N-])CC(=O)NC(=O)CN1CCCC1=O 1912202211 DDBVKZIRQACTIY-UHFFFAOYSA-N 282.304 -0.506 10 10 CBCE CN(C(=O)Cc1ccc(O)c(O)c1)C(CO)CO 2027486361 YSQNSAPAZYHOJT-UHFFFAOYSA-N 255.270 -0.548 10 10 CBCE NCC12CC(C(=O)C(=O)C[C@H]3C[C@H](N)C3)(CO1)C2 2049783329 UVGFQTKMKGLQFM-DMGLHBDOSA-N 252.314 -0.240 10 10 CBCE CN1C[C@H](O)[C@@H](NC(=O)[C@@H]2CNc3ccccc3N2)C1 2146526646 WLSHRMCDOZUDPG-AVGNSLFASA-N 276.340 -0.316 10 10 CBCE CN1C(=O)C[C@H](OC(=O)COc2ccc(N)cc2)C1=O 2152383857 ARRSGQFJGFCKJZ-JTQLQIEISA-N 278.264 -0.052 10 10 CBCE C[C@@H]1CO[C@H](CN)CN1C(=O)c1cc(O)c(O)c(O)c1 2188923272 LPOQARXUVFBMBD-VXNVDRBHSA-N 282.296 -0.008 10 10 CBCE CS(=O)(=O)[C@H]1CNC[C@H]1NC(=O)Cc1ccc(N)cc1 2192674351 GDVCYLKOUFTTEY-NEPJUHHUSA-N 297.380 -0.688 10 10 CBCE CS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2213585473 OCQOMIHOACYNIB-RNFRBKRXSA-N 261.307 -0.117 10 10 CBCE N=c1nnc(OCCNCc2cccs2)n[nH]1 2213788673 ZMSYKYTVHBOCMK-UHFFFAOYSA-N 252.303 -0.091 10 10 CBCE Nc1ccc(CNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 159379637 FZEIKEGAHOBZAJ-UHFFFAOYSA-N 260.253 -0.425 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1nccnn1 163117193 BBWAJDOIOLMPJW-QMMMGPOBSA-N 275.268 -0.209 10 10 CBCE O=C(NC[C@H]1C[C@@H](C(=O)O)CO1)c1cc(O)nc(O)c1 713953346 HOFKBCSUEYPOGJ-HTQZYQBOSA-N 282.252 -0.288 10 10 CBCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1CO 1643473852 NLUOLSGSCMTCHU-LLVKDONJSA-N 280.324 -0.225 10 10 CBCE Oc1ccc(CNC[C@@H]2COC[C@@H]2O)c(O)c1O 2036572960 UIDVKJQYLJJVJH-SCZZXKLOSA-N 255.270 -0.100 10 10 CBCE CN1C[C@H](O)[C@@H](Nc2c(N)cccc2C(N)=O)C1 2046433054 LIRLIGAKARTIFG-UWVGGRQHSA-N 250.302 -0.546 10 10 CBCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1 2080937042 BNCMSSBVQCCQQL-YJRXYDGGSA-N 253.298 -0.357 10 10 CBCE NS(=O)(=O)CCCNC(=O)Cc1ccc(O)c(O)c1 2087730299 XCMWQTSBQZTJLG-UHFFFAOYSA-N 288.325 -0.565 10 10 CBCE NC[C@@H]1COC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 2097867504 AEWPAINJLGDDMJ-NXEZZACHSA-N 266.297 -0.270 10 10 CBCE O=C(NC[C@H]1C[C@H](CO)CO1)c1cc(O)nc(O)c1 2101330748 DPUONLDPDMWFSY-VXNVDRBHSA-N 268.269 -0.380 10 10 CBCE NC(=O)CN(CC(N)=O)c1ccc2c(c1)CC[C@@H]2O 2128317403 DQNNSOFNUNPGLZ-NSHDSACASA-N 263.297 -0.557 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2188874315 GBHBDVKXJINBII-GUHGHRINSA-N 281.264 -0.631 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 2357591818 AHUOOKKBSWYJTF-ONUNSANNSA-N 280.280 -0.551 10 10 CBCE CC1(C)C(=O)NCCN1C(=O)c1cc(O)nc(O)c1 110664985 ROYSXXCEEXMCCY-UHFFFAOYSA-N 265.269 -0.157 10 10 CBCE CNS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 126046135 CNSUTMUFRFYDKA-UHFFFAOYSA-N 272.330 -0.980 10 10 CBCE COCC1(O)CN(C(=O)COc2ccc(N)cc2)C1 383961430 FTVUXSNXNYTYKG-UHFFFAOYSA-N 266.297 -0.133 10 10 CBCE O=C(NCc1ccccc1O)[C@H]1CNCCS1(=O)=O 1343541173 GOUGBULLBNSNLR-LLVKDONJSA-N 284.337 -0.605 10 10 CBCE CC1(NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)COC1 2132738502 PLXFBMAHWNUAQC-VIFPVBQESA-N 266.297 -0.127 10 10 CBCE C[C@H](c1ccccc1O)N1C[C@H](O)[C@@H](O)[C@H]1C(=O)O 2136097983 ZUIWACDMDQOKPA-GMEFYDFLSA-N 267.281 -0.056 10 10 CBCE Nc1ccc(NC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1 2177947857 IHCDOHRQDIQMSW-PUYANOKMSA-N 281.312 -0.507 10 10 CBCE NC(=O)NCC1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 2187292886 JWPKTXPBHZIENC-LLVKDONJSA-N 275.312 -0.257 10 10 CBCE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1Cc1cc(F)cc(F)c1O 2200843334 HUCQMMYHBORPQY-ATZCPNFKSA-N 289.234 -0.339 10 10 CBCE O=C1NC(=S)N(C2CC2)C(=O)C1=CNN1CCOCC1 2296091600 WGKMJIHHWRRUCF-UHFFFAOYSA-N 296.352 -0.887 10 10 CBCE CN(C(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(N)cc1 37274081 UPVNJKMZNNHGPW-UHFFFAOYSA-N 274.280 -0.218 10 10 CBCE Nc1ccc(-n2ccc(C(=O)N(CCO)CCO)n2)cc1 40332304 KFDCABOZKPMKQD-UHFFFAOYSA-N 290.323 -0.119 10 10 CBCE N[C@@H](c1nnc([C@@H](O)C(=O)O)o1)c1ccccc1O 83480492 VNZSGVLCJPWNCP-HTQZYQBOSA-N 265.225 -0.059 10 10 CBCE CN1NC(=O)[C@H](CC(=O)N2CCCCCC2)C1=O 169995947 OKUGKNLILPHUGQ-VIFPVBQESA-N 253.302 -0.102 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)C[C@@H]1CO 698206415 DFSDHAQQPQMRRP-BREBYQMCSA-N 277.324 -0.153 10 10 CBCE CC(=O)C(=O)COC(=O)c1ccc(S(N)(=O)=O)c(C)c1 808515563 KMBLDZFQDVNRGL-UHFFFAOYSA-N 299.304 -0.043 10 10 CBCE NCCOCCNC(=O)Cc1ccc(O)c(O)c1 2038456495 YDIKPHNNHQEPQU-UHFFFAOYSA-N 254.286 -0.268 10 10 CBCE C[C@H](ONC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2068568542 XXAAJUDFZVYZNJ-BYPYZUCNSA-N 257.198 -0.062 10 10 CBCE CNCc1ccc(N2CC(O)(CO)C2)cc1OC 2084017499 SQTQZCKTCFRKIE-UHFFFAOYSA-N 252.314 -0.042 10 10 CBCE CN1C[C@H](O)[C@H](NC(=O)CCc2ccc(N)cc2)C1 2090335665 BMVPNPHEPNXMQT-OLZOCXBDSA-N 263.341 -0.008 10 10 CBCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1 2136334926 GASPSFPGRZZQPI-IGJVIKARSA-N 266.341 -0.130 10 10 CBCE Nc1cc2c(cc1N1CCNC[C@H](O)C1)CCC(=O)N2 2191594191 KAKNUXFKNJZDGW-JTQLQIEISA-N 276.340 -0.076 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCN[C@@H]3COC[C@@H]32)cc1 2191633638 HLRFMUVYTSZILP-OLZOCXBDSA-N 297.380 -0.229 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCCNC1=O 50397697 HDCYGDLQIBIOFL-VHSXEESVSA-N 293.323 -0.638 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CCN2C[C@@H](O)C[C@@H]2C1 405308452 LXIDNYDMTFFCAX-MNOVXSKESA-N 278.308 -0.011 10 10 CBCE O=S(=O)(CC1CNC1)NCCc1ccc(O)c(O)c1 1880172729 TZZLECMGMVBUGS-UHFFFAOYSA-N 286.353 -0.221 10 10 CBCE Nc1ccc(CC(=O)N2C[C@H](N)[C@H]3COC[C@H]32)cc1 1967372624 XFJNSIQBMGYDRH-FRRDWIJNSA-N 261.325 -0.004 10 10 CBCE C[C@](CCS(C)(=O)=O)(NCCCN=[N+]=[N-])C(N)=O 2042644556 LBASYTQGYBCWHD-SECBINFHSA-N 277.350 -0.045 10 10 CBCE Oc1ccc(CN[C@@H]2C[C@H](O)C[C@@H]2O)c(O)c1O 2046484036 PRHLSAXKXCPWRC-XKSSXDPKSA-N 255.270 -0.223 10 10 CBCE Cc1nc(Cn2ccc3c(c2=O)CNCC3)n(C)n1 2094405381 TYINMMCAOPVXNM-UHFFFAOYSA-N 259.313 -0.021 10 10 CBCE Cn1cc(CNC(=O)c2cc(O)c(O)c(O)c2)nn1 2132348012 BZEDBWJJBFQNKE-UHFFFAOYSA-N 264.241 -0.138 10 10 CBCE O=C(c1cccc(O)c1O)N1CCN[C@@H]2COC[C@@H]21 2132434936 SLUKLZKJLOVVKG-ZJUUUORDSA-N 264.281 -0.089 10 10 CBCE N[C@@H]1C[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 2172839066 QISIPIVHUOGNFC-HOSYDEDBSA-N 280.324 -0.145 10 10 CBCE OC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc(CNC2CC2)cc1 2201033782 MVIFZFOZUDMIPO-RBSFLKMASA-N 278.352 -0.159 10 10 CBCE COc1ccnc(COc2nnc(=N)[nH]n2)c1OC 2226136466 MUDMIUBGNZOTTD-UHFFFAOYSA-N 264.245 -0.330 10 10 CBCE COc1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(CN)c1 2235974611 YSAKKMXMXLFUEN-ZIAGYGMSSA-N 282.340 -0.288 10 10 CBCE N[C@H]1C[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)CO[C@H]1C2 2254848965 OWODXJXWHMBFRC-HUWMYRJZSA-N 252.314 -0.242 10 10 CBCE Cn1c(O)cc(=O)n(CCOc2ccc(N)cc2)c1=O 2280553222 KDLXESGJABRHJL-UHFFFAOYSA-N 277.280 -0.086 10 10 CBCE N[C@H](C(=O)NCCCO)c1ccc(O)c(O)c1O 83414152 CFECFCZEGMKZJZ-QMMMGPOBSA-N 256.258 -0.698 10 10 CBCE COCCNC(=O)CNC(=O)COc1ccc(N)cc1 228681286 HKFSIBUVNZOYMM-UHFFFAOYSA-N 281.312 -0.474 10 10 CBCE CN(C[C@H](O)CO)c1ccc2c(c1)NC(=O)CO2 258944698 KCUWEAVGBSZORA-VIFPVBQESA-N 252.270 -0.193 10 10 CBCE NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(O)c(O)c2)C1 312427676 HVTIOPSRBNFNEJ-ZDUSSCGKSA-N 280.280 -0.450 10 10 CBCE CCc1cccc(CN(CC(N)=O)CC(N)=O)c1O 692085761 IYESFQRIYKFSDF-UHFFFAOYSA-N 265.313 -0.273 10 10 CBCE CN(CCS(N)(=O)=O)c1cc2c(cc1N)OCCO2 719732648 UUBWKGZPNWBWCZ-UHFFFAOYSA-N 287.341 -0.235 10 10 CBCE Nc1ccc(NS(=O)(=O)N2CC(C(=O)O)C2)cc1 2045838418 HEWHPCPIVJXAJD-UHFFFAOYSA-N 271.298 -0.058 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)CN2CCCNCC2)C1 2049784944 SSPZGWUSPQQXAG-XYPYZODXSA-N 253.346 -0.453 10 10 CBCE C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H](O)C(=O)O 2056747212 WDLFPOKNGVAZIP-WRWORJQWSA-N 252.270 -0.239 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1CNCC[C@@H]1O 2071717926 OMUZSWBSHNJUCO-UWVGGRQHSA-N 250.302 -0.498 10 10 CBCE COc1ccc(CN[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2108832877 SFDLLNQIZHBATQ-GWNIPJSYSA-N 269.297 -0.655 10 10 CBCE O=C(NCC[C@H]1COC[C@@H]1O)c1cc(O)nc(O)c1 2111276711 IYTVLQGNRPWDOC-CBAPKCEASA-N 268.269 -0.380 10 10 CBCE N[C@@]1(C(=O)NCc2ccccc2O)CCS(=O)(=O)C1 2115542634 DDYRHROULPYCNV-LBPRGKRZSA-N 284.337 -0.476 10 10 CBCE CN=c1nc(OC)[nH]c(=NCc2ccc(N)cc2)[nH]1 2117257257 KRDIXCCQCPZBKM-UHFFFAOYSA-N 260.301 -0.040 10 10 CBCE CS(=O)(=O)[C@H]1COC[C@H]1NCc1cccc(O)c1O 2142491319 UQFHUQQNQHTCEI-KOLCDFICSA-N 287.337 -0.001 10 10 CBCE O=C(NCC1(CCO)CNC1)c1cc(O)c(O)c(O)c1 2188917503 XONFTDGBNIQYLC-UHFFFAOYSA-N 282.296 -0.495 10 10 CBCE O=C(c1cc(O)c(O)c(O)c1)N(C1CNC1)C1COC1 2188926262 YKPWIGPNJQJAPR-UHFFFAOYSA-N 280.280 -0.384 10 10 CBCE C[C@H](O)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1O 2234097707 POWWSDOXIYMZEF-CUOATXAZSA-N 283.324 -0.260 10 10 CBCE Cc1cc(N2CCNC(=O)[C@@H]2C(N)=O)ccc1[C@@H](C)O 2285163626 YTTOUTFNGQCNFY-SKDRFNHKSA-N 277.324 -0.162 10 10 CBCE Nc1ccc(OCCS(=O)(=O)C[C@@H](O)CO)cc1 58262858 RYWMPQCILBKFOO-JTQLQIEISA-N 275.326 -0.584 10 10 CBCE CN1C(=O)C[C@H](NC(=O)Cc2ccc(N)cc2)C1=O 115260282 CIYHCBMYQJTJRM-JTQLQIEISA-N 261.281 -0.315 10 10 CBCE CN1C(=O)[C@@H](N)c2ccc(N3CCNC(=O)CC3)cc21 131386841 WKDUZTZMCVAUFW-ZDUSSCGKSA-N 274.324 -0.011 10 10 CBCE CN1CC[C@@](O)(CNS(=O)(=O)Cc2ccc(N)cc2)C1 702621112 BYBKGAFADLPALV-CYBMUJFWSA-N 299.396 -0.245 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1C[C@@H]2C[C@H]1CO2 718272060 RYJMQDVJTVKDFZ-DCAQKATOSA-N 278.308 -0.033 10 10 CBCE O=C1CN(CC(=O)N2Cc3cccc(O)c3C2)C(=O)N1 871203038 QFCSRMGKEPTMIU-UHFFFAOYSA-N 275.264 -0.214 10 10 CBCE C[C@]1(O)CCN(C(=O)c2cc(O)nc(O)c2)C[C@@H]1O 1893299920 IYAFICIGDHVREW-UFBFGSQYSA-N 268.269 -0.549 10 10 CBCE N[C@H]1CC[S@@](=O)(=NC(=O)c2cc(O)nc(O)c2)C1 2036856180 PZHNLSCVYLTLBJ-VIIUKITBSA-N 271.298 -0.168 10 10 CBCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(F)c1 2080924724 DMPVYWPIRUHFFR-SDDRHHMPSA-N 257.261 -0.779 10 10 CBCE CN(C)[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1O 2089919723 OQSWLKLHRNQHBH-ONGXEEELSA-N 266.297 -0.155 10 10 CBCE CN(C)[C@H]1CN(C(=O)COc2ccc(N)cc2)C[C@@H]1O 2146163134 WWTVYRNFMDIIMC-STQMWFEESA-N 279.340 -0.219 10 10 CBCE O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1cc(O)nc(O)c1 2170460739 SNQMBQDCIOOVBN-BDAKNGLRSA-N 277.280 -0.014 10 10 CBCE C[C@@H](NC(=O)[C@H](N)C1CS(=O)(=O)C1)c1ccccc1O 2197522184 DJPQQAMITROTEV-PRHODGIISA-N 298.364 -0.059 10 10 CBCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@@H](C)N)c(O)c1 2234064141 GAUJLUNSPWJWQE-BLJJELEKSA-N 282.340 -0.031 10 10 CBCE NCc1cc(F)c(N2CC[C@](O)(CO)[C@H](O)C2)c(F)c1 2234104366 GPTNNULYDSYUIP-YPMHNXCESA-N 288.294 -0.282 10 10 CBCE CNC(=O)[C@H](CO)NC(=O)Cc1ccc(N)cc1 108262989 PHSOBFDSMJPHKA-JTQLQIEISA-N 251.286 -0.966 10 10 CBCE COCC1(O)CN(C[C@@H](O)COc2ccc(N)cc2)C1 395003756 GMMFDJMORNRPNS-GFCCVEGCSA-N 282.340 -0.298 10 10 CBCE N[C@H]1CCOC[C@@H]1NC(=O)c1cccc(O)c1O 710980476 DPPPMXWEAAWPNO-IUCAKERBSA-N 252.270 -0.056 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CNC(=O)C1 1161855827 QOADVEYSWMCBPV-SECBINFHSA-N 264.281 -0.107 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COC[C@@H]1O 1643222163 YAAPJHIXYMNQFW-KCJUWKMLSA-N 253.254 -0.484 10 10 CBCE Nc1ccc(OCCC(=O)N[C@@H]2CNC[C@H]2O)cc1 1876665505 ODANYVCGDDQIDA-VXGBXAGGSA-N 265.313 -0.513 10 10 CBCE [N-]=[N+]=N[C@@H]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1912171872 PTKSRBOCEFMXCF-RKDXNWHRSA-N 287.345 -0.326 10 10 CBCE Cc1cccc(O)c1CNCC(CO)(CO)CO 2059279563 HPYUHWIJXJYMPW-UHFFFAOYSA-N 255.314 -0.246 10 10 CBCE CO[C@@H](C(=O)O)C(=O)NCCOc1ccc(N)cc1 2105962506 BHHBMWUHXZUXIV-SNVBAGLBSA-N 268.269 -0.137 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H](O)C3)ccc21 2132134370 GNCFNOAHDFZUOU-SRVKXCTJSA-N 263.297 -0.430 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1C[C@H](O)C[C@@H](O)C1 2161393440 ITOOEZXQHZYDJN-BREBYQMCSA-N 277.324 -0.153 10 10 CBCE COCC1(CNC(=O)COc2ccc(N)cc2)CNC1 2191721616 XKNKEMDCMGWDLQ-UHFFFAOYSA-N 279.340 0.000 10 10 CBCE N=c1nnc(OC[C@@H]2CNCc3ccccc32)n[nH]1 2226133788 LZSHNBJBRAHKPB-VIFPVBQESA-N 258.285 -0.055 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC(O)(CCO)C3)ccc21 2270657849 ZCSZRVYXCRJBRY-NSHDSACASA-N 263.297 -0.428 10 10 CBCE O=C1Nc2cc(N3C[C@@H](O)[C@H]4COC[C@H]43)ccc2[C@H]1O 2354366093 AAPSRHAFXHFAHT-WKSBVSIWSA-N 276.292 -0.132 10 10 CBCE NS(=O)(=O)CCNCc1cc2c(cc1O)OCO2 42879771 JRYSSOVJAOOIIH-UHFFFAOYSA-N 274.298 -0.501 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@@H]1NCCc2ccc(O)c(O)c21 83724771 VFGZJNAUMKKKCK-IEBDPFPHSA-N 269.253 -0.909 10 10 CBCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ncnn1 1447560894 GVEVUTRXZCFIEA-QMMMGPOBSA-N 277.284 -0.168 10 10 CBCE C[C@H](O)[C@H](CO)NCc1cc2c(cc1O)OCO2 2053800479 PMNMZXIHMCRQML-CBAPKCEASA-N 255.270 -0.048 10 10 CBCE O=C(N[C@H]1[C@@H]2CNC[C@@H]21)c1cc(O)c(O)c(O)c1 2068613864 AUDVTWUXVKAANF-MTBHXBHISA-N 250.254 -0.249 10 10 CBCE CN(C[C@@H](O)CN)C(=O)COc1ccc(N)cc1 2071685881 BMBZERDRWKSZTL-JTQLQIEISA-N 253.302 -0.574 10 10 CBCE NC(=O)CN(CC(=O)O)Cc1c(O)cccc1F 2081016056 MFEYIHJDXISYKI-UHFFFAOYSA-N 256.233 -0.097 10 10 CBCE N[C@@H]1CN(C(=O)c2cc(O)nc(O)c2)[C@H]2COC[C@H]12 2102138772 XIZANYVZEWCEFJ-HLTSFMKQSA-N 265.269 -0.709 10 10 CBCE COC[C@](O)(CO)CNCc1ccc(O)c(O)c1O 2102399209 LIOUMQKBEMEWMM-GFCCVEGCSA-N 273.285 -0.737 10 10 CBCE CO[C@@H]1C[C@@H](O)CN(C(=O)c2cc(O)nc(O)c2)C1 2109020502 SLFZPGCFLSUMBO-RKDXNWHRSA-N 268.269 -0.285 10 10 CBCE NCCN1CCC(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1 2112564881 LOJLKHIINMIRMJ-UMSPYCQHSA-N 267.373 -0.077 10 10 CBCE O=C(O)COCCNC(=O)c1cc(O)c(O)c(O)c1 2132348170 FVMBPNJQKSVCIX-UHFFFAOYSA-N 271.225 -0.366 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](CO)C[C@H]1CO 2146128353 LWEQSXWZSFSQPG-QWRGUYRKSA-N 281.308 -0.158 10 10 CBCE CN(C(=O)CN1C[C@@H](O)C[C@@H](O)C1)c1ccc(N)cc1 2161398112 XUXVFODQXFZXGU-BETUJISGSA-N 279.340 -0.341 10 10 CBCE NCc1cc(F)c(N2CCNC(=O)[C@@H]2C(N)=O)c(F)c1 2184134268 BQKOLKKTPSUDIH-JTQLQIEISA-N 284.266 -0.786 10 10 CBCE C[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1nc(=O)o[nH]1 2188918073 BLFNPAQLYQKBHF-BYPYZUCNSA-N 281.224 -0.029 10 10 CBCE O=C(N[C@H]1CCNC[C@H]1CO)c1cc(O)c(O)c(O)c1 2188920635 XBDRSONARBUGRC-IUCAKERBSA-N 282.296 -0.496 10 10 CBCE Nc1ccc(CCC(=O)NC[C@@H]2NC[C@H](O)[C@H]2O)cc1 2233980526 YJPJOZXJSGVMSD-OBJOEFQTSA-N 279.340 -0.989 10 10 CBCE CN(C(=O)CN1CC[C@@H]1[C@@H](O)CO)c1ccc(N)cc1 2286203808 BEEWVEXCWZZBJK-OLZOCXBDSA-N 279.340 -0.341 10 10 CBCE CS(=O)(=O)C[C@H]1NC(=O)N(c2ccc(N)cc2)C1=O 2335462611 RZMQQDHBFAQGTL-SECBINFHSA-N 283.309 -0.262 10 10 CBCE O=C(O)[C@@H](O)[C@H](O)[C@H]1NCCc2c1ccc(O)c2O 75794196 UGJFIUOEXNAXFG-GDPRMGEGSA-N 269.253 -0.909 10 10 CBCE COC[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 228893788 RVTMCHZPRYPZPU-LLVKDONJSA-N 274.342 -0.305 10 10 CBCE C[C@H]1C(=O)NCCN1c1ccc2c(c1)N(C)C(=O)[C@H]2N 252476420 INZBVWSUIQGFBS-UFBFGSQYSA-N 274.324 -0.013 10 10 CBCE Nc1nnn(CC(=O)NCc2ccc3cccnc3c2O)n1 1162612808 QMHHHKNDOBFGPP-UHFFFAOYSA-N 299.294 -0.175 10 10 CBCE Nc1cc2c(cc1N1CCNNCC1)NC(=O)CO2 1876222847 GDLAIGVYSUYTFC-UHFFFAOYSA-N 263.301 -0.486 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1C[C@@H](F)[C@@H](CO)C1 2056985644 MTONARUECCDJPR-HTQZYQBOSA-N 256.233 -0.105 10 10 CBCE Nc1ccc(CC(=O)NC[C@@H](CO)C(=O)O)cc1 2067739759 KCJBHXQIJXFSLJ-VIFPVBQESA-N 252.270 -0.379 10 10 CBCE O=C(NC1([C@H](O)CO)CC1)c1ccc(O)c(O)c1 2069743869 MENPXKBBPBTDTN-SNVBAGLBSA-N 253.254 -0.287 10 10 CBCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@H]2N)cc1 2071667634 NELJXAIZWCFJMD-MNOVXSKESA-N 271.342 -0.333 10 10 CBCE C[C@H](O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O 2087725746 ZFLRLVMYIIOVJG-UPONEAKYSA-N 269.253 -0.410 10 10 CBCE Nc1ccc(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 2121367301 GTHHLAVVMGXFMD-QWRGUYRKSA-N 284.337 -0.915 10 10 CBCE C[C@@]1(CNC(=O)c2cc(O)c(O)c(O)c2)CC(=O)N1 2141267440 FOSRDAFDBYTXMT-LBPRGKRZSA-N 266.253 -0.188 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@H]1C(=O)O 2144019982 QSVHALGPODNUPP-PRHODGIISA-N 281.264 -0.001 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H](C1)[C@H](O)[C@H]2O 2182528603 DKIHCIDWLUCJOD-VVJJBPBLSA-N 279.292 -0.089 10 10 CBCE Cc1cccc(CNC(=O)[C@H]2CN(C)C(=O)CN2)c1O 2204609947 MFGCYXJJGDTRKA-LLVKDONJSA-N 277.324 -0.253 10 10 CBCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(F)cc1O 2204623972 GIARTEUOVCRKHB-USWWRNFRSA-N 285.271 -0.088 10 10 CBCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1 2218513454 QHMXBJNOCHDSSN-FRRDWIJNSA-N 253.298 -0.264 10 10 CBCE Nc1ccc(OCCN2CC[C@](O)(CO)[C@H](O)C2)cc1 2234100919 NQCUTIFEVZCGRP-KGLIPLIRSA-N 282.340 -0.562 10 10 CBCE CCCCN1C(=O)C(=CNNCCO)C(=O)NC1=S 2296103247 YBJLQOYCIXVTPP-UHFFFAOYSA-N 286.357 -1.000 10 10 CBCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(F)c1 2311715171 PTRUHHNAZRIZEB-TUAOUCFPSA-N 256.277 -0.813 10 10 CBCE CNC(=O)CS(=O)(=O)CCOc1ccc(N)cc1 58262864 VIDDKBAVAAZFGI-UHFFFAOYSA-N 272.326 -0.192 10 10 CBCE O=C(O)CNC[C@H]1NCCc2cc(O)c(O)cc21 83724590 GZOIUYQUTKPWMW-SECBINFHSA-N 252.270 -0.041 10 10 CBCE Nc1ccc(OCC(=O)N2CC(=O)NC(=O)C2)cc1 97267302 MNVUUGOQMWBGFP-UHFFFAOYSA-N 263.253 -0.867 10 10 CBCE CN(C)S(=O)(=O)NCC(=O)Nc1ccc(N)cc1 310877803 HJUZSYFIFGFGMF-UHFFFAOYSA-N 272.330 -0.397 10 10 CBCE CN(CCC(N)=O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 381987023 GRYLLJUZCNTQGF-VIFPVBQESA-N 281.312 -0.699 10 10 CBCE COc1cccc(CN2CCN(CC(N)=O)C(=O)C2)c1O 839169849 JWMUZCVUHHLYLV-UHFFFAOYSA-N 293.323 -0.470 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CNCCOC1 1971206018 ZKZJYNLZJVJPRI-SNVBAGLBSA-N 266.297 -0.255 10 10 CBCE O=C(N[C@H]1COC[C@@H]1CO)c1ccc(O)c(O)c1 2029858613 VDNCGJGGLMFGJP-IUCAKERBSA-N 253.254 -0.165 10 10 CBCE Cc1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@H]2O)c1 2057716913 DQMKTVRGEBMSOE-CMPLNLGQSA-N 271.338 -0.052 10 10 CBCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CC(=O)N(C)C3)c2n1 2062701872 HKINWHQPDSKWIY-MRVPVSSYSA-N 289.295 -0.296 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1C[C@@H](CO)C[C@H]1CO 2089869611 FFMQTZBBHPOUSW-WPRPVWTQSA-N 267.281 -0.087 10 10 CBCE O=C(c1cccc(O)c1O)N1C[C@@H](CO)C[C@H]1CO 2089869946 JKLPXLSTKPIYGB-IUCAKERBSA-N 267.281 -0.087 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](OCCO)C1 2109042764 KMQSXGVQCPFEJZ-SECBINFHSA-N 268.269 -0.284 10 10 CBCE N[C@H]1C[C@H](CC(=O)C(=O)[C@@H]2Cn3cnnc3CN2)C1 2112571415 PEEFJKSICLSCFP-CIUDSAMLSA-N 263.301 -0.985 10 10 CBCE N[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1CO 2122389422 DTZHLLMJIVHUQN-SCZZXKLOSA-N 266.297 -0.121 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@@H]1NC[C@H](O)[C@H]1O 2136448557 YJMCLVHCBLQGCD-QJPTWQEYSA-N 266.297 -0.956 10 10 CBCE O=C(N[C@@H]1C(=O)NC[C@H]1C(=O)O)c1cccc(O)c1O 2144415705 LJMGAGZOUBIFGV-SVRRBLITSA-N 280.236 -0.973 10 10 CBCE COC[C@]1(NC(=O)c2cc(O)nc(O)c2)CCCNC1 2157562520 KTKOGEFTWXRLPJ-ZDUSSCGKSA-N 281.312 -0.009 10 10 CBCE CN1CCc2cc(CN[C@@H]3C[C@H](O)[C@H](O)[C@H]3O)ccc21 2165103470 BJRBAAQPSNBFIK-UNQGMJICSA-N 278.352 -0.377 10 10 CBCE O=C([C@@H]1CNc2ccccc2N1)N1CC[C@@H](O)[C@H](O)C1 2188680809 MWFVDCKDFJCTFP-YNEHKIRRSA-N 277.324 -0.153 10 10 CBCE CO[C@@H]1[C@@H](O)C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 2271142822 CPAIGMOEDIIXEG-IHBFAXJASA-N 269.253 -0.319 10 10 CBCE Nc1ccc(OCC(=O)N2CC[C@@H](O)[C@H](O)CC2)cc1 2284536670 KFDPEVHMMJVOQA-CHWSQXEVSA-N 280.324 -0.008 10 10 CBCE N[C@@H]1CCc2cc(N3C[C@H](O)[C@H](O)[C@H](CO)C3)ccc21 2289403889 KOUWZAGQLZSJMX-OADPDTJPSA-N 278.352 -0.217 10 10 CBCE NCC[C@H](O)C(=O)N1CCc2cc(O)c(O)cc2C1 2341151164 BTPKWVNRIIVILR-JTQLQIEISA-N 266.297 -0.308 10 10 CBCE [N-]=[N+]=N[C@H]1C[C@H](n2cc(F)c(N)nc2=O)O[C@@H]1CO 6524238 WPVOAMIAPQZNOC-RRKCRQDMSA-N 270.224 -0.077 10 10 CBCE Nc1ccc(-n2ccc(C(=O)OC[C@@H](O)CO)n2)cc1 130731798 URNSGDPNDMZZRS-NSHDSACASA-N 277.280 -0.036 10 10 CBCE O=C(c1ccc(O)c(O)c1)N1CC[C@](O)(CO)C1 313653066 MAHSBSHZSVCGNR-GFCCVEGCSA-N 253.254 -0.333 10 10 CBCE CN(C(=O)CN1CC[C@@](O)(CO)C1)c1ccc(N)cc1 313659463 FYGVIBXKKXRJNU-AWEZNQCLSA-N 279.340 -0.339 10 10 CBCE C[C@H]1CN(c2ccc3c(c2)NC(=O)[C@H]3N)CC(=O)N1 395692530 BUEKCSWTOHPPNY-MADCSZMMSA-N 260.297 -0.037 10 10 CBCE C[C@@H](O)[C@H](O)CNC(=O)CCOc1ccc(N)cc1 717379118 WXCVQKWOCLUSBV-BXKDBHETSA-N 268.313 -0.104 10 10 CBCE COC(=O)[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 1865876173 VMWQLEHGWUHDDH-ZCFIWIBFSA-N 271.225 -0.933 10 10 CBCE Nc1ccc(OCC(=O)N[C@@H]2CCNC[C@H]2O)cc1 1876432545 UTUQVFHGSBZGCI-VXGBXAGGSA-N 265.313 -0.513 10 10 CBCE Nc1ccc(CS(=O)(=O)NC2(C(=O)O)CNC2)cc1 1876459016 KEFRFICLZCZXHK-UHFFFAOYSA-N 285.325 -0.885 10 10 CBCE O=C(N[C@H]1CCNCC[C@@H]1CO)c1cc(O)nc(O)c1 1921722352 GQLSJUAQOHPWMT-SCZZXKLOSA-N 281.312 -0.417 10 10 CBCE O=C(NC[C@@H]1C[C@H](CO)CO1)c1cc(O)nc(O)c1 2101330745 DPUONLDPDMWFSY-APPZFPTMSA-N 268.269 -0.380 10 10 CBCE CCOc1cccc(CNCCNS(N)(=O)=O)c1O 2101341494 HQIAYYUOFCJGIN-UHFFFAOYSA-N 289.357 -0.326 10 10 CBCE Cc1nc(=NC(=O)c2cc(O)c(O)c(O)c2)n(C)[nH]1 2140800256 RXICDSLXLLZEFB-UHFFFAOYSA-N 264.241 -0.085 10 10 CBCE CN1C(=O)[C@@H](O)c2ccc(N3C[C@H](O)C[C@@H](O)C3)cc21 2183269143 QGTFWSUXVOWQAT-BREBYQMCSA-N 278.308 -0.372 10 10 CBCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@@H](O)C3)ccc21 2188639210 RDLIAABHEBBKIG-AGIUHOORSA-N 277.324 -0.169 10 10 CBCE CN1C(=O)[C@H](O)c2ccc(N3CC[C@H](O)[C@@H](O)C3)cc21 2188674889 AISIGCUNWQVWLZ-RWMBFGLXSA-N 278.308 -0.372 10 10 CBCE Nc1ccc(NC(=O)CN2CC(O)(CCO)C2)cc1 2270654248 NJMSXGQKHJSJGE-UHFFFAOYSA-N 265.313 -0.364 10 10 CBCE O=C(CN1CC[C@H]1[C@H](O)CO)c1ccc(O)c(O)c1 2270709482 NVASULMNUMEIRJ-TVQRCGJNSA-N 267.281 -0.292 10 10 CBCE CCN(CCN=[N+]=[N-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 2337775854 GUXPEWXYCGINBT-SECBINFHSA-N 289.361 -0.078 10 10 CBCE NCC[C@@H]1C(=O)NN(c2ccccc2[N+](=O)[O-])C1=O 106665698 IOUBBDPAKKHMKY-SSDOTTSWSA-N 264.241 -0.062 10 10 CBCE Nc1ccc(OC[C@H](O)CN2CCOC[C@@H]2CO)cc1 167995588 XQEUQBQJKMBPNZ-QWHCGFSZSA-N 282.340 -0.298 10 10 CBCE O=C(NCCCN1CCOCC1)c1cc(O)nc(O)c1 170223235 UJUULQBIVYPRBY-UHFFFAOYSA-N 281.312 -0.055 10 10 CBCE O=C(NC[C@@]1(O)CCOC1)c1ccc(O)c(O)c1 227042245 SHKCOBCUZAIDMQ-LBPRGKRZSA-N 253.254 -0.021 10 10 CBCE O=C(NC1CS(=O)(=O)C1)c1ccc(O)c(O)c1 380063200 FEIWRIAQSYIILN-UHFFFAOYSA-N 257.267 -0.375 10 10 CBCE O=C1Nc2cc(N3C[C@H](CO)[C@@H](CO)C3)ccc2[C@@H]1O 704451101 IBQHSBNHHZBLHS-KKFJDGPESA-N 278.308 -0.291 10 10 CBCE Nc1ccc(CC(=O)N2CC(O)(C(=O)O)C2)cc1 706546974 MJLWVCNQODQQKQ-UHFFFAOYSA-N 250.254 -0.531 10 10 CBCE NCc1ccc(N2CC3(C2)OC[C@@H](O)[C@H]3O)cc1 2063741382 XBNVJLMQJFBFRN-VXGBXAGGSA-N 250.298 -0.544 10 10 CBCE CCOC(=O)[C@H](N)C(=O)NCCc1ccc(O)c(O)c1 2148002889 FEVATYHQQALVDA-LLVKDONJSA-N 282.296 -0.353 10 10 CBCE Nc1ccc(OCC(=O)N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1 2158396966 HPGSKFWRFYADMB-AGIUHOORSA-N 278.308 -0.134 10 10 CBCE CN(Cc1ccccc1O)C(=O)[C@H](N)C1CS(=O)(=O)C1 2197512336 CHFQWWBUPJJZDN-GFCCVEGCSA-N 298.364 -0.278 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CC[C@@]2(C[C@@H](O)CO2)C1 2201758275 LUDXYKHKMIJSBH-NOZJJQNGSA-N 280.280 -0.141 10 10 CBCE Cc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)ccc1[C@@H](C)N 2269661267 DSYTVCNMNLXCNF-IGJVIKARSA-N 266.341 -0.083 10 10 CBCE COc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(F)c1F 2333695751 WATBXKNEXSEPPT-RWYTXXIDSA-N 275.251 -0.124 10 10 CBCE COC[C@H](N)C(=O)N1CCc2cc(O)c(O)cc2C1 2341150785 UTJXLEMQHXJKNI-JTQLQIEISA-N 266.297 -0.044 10 10 CBCE COC(=O)CCNC(=O)[C@@H](N)c1ccc(O)cc1O 83496872 ZUZAGBXOHWCWAG-NSHDSACASA-N 268.269 -0.223 10 10 CBCE COC(=O)CCNC(=O)[C@H](N)c1cccc(O)c1O 83496893 OOYOGVVTAMDYHV-SNVBAGLBSA-N 268.269 -0.223 10 10 CBCE CNC(=O)[C@H]1CNCCN1Cc1ccc(O)c(O)c1 89082081 JFHSXSOURWAYAY-SNVBAGLBSA-N 265.313 -0.382 10 10 CBCE Cn1nnc(NS(=O)(=O)CCOc2ccc(N)cc2)n1 127032723 VZEAEASGKXXMDC-UHFFFAOYSA-N 298.328 -0.387 10 10 CBCE COC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169911884 SCRLQIIOOFVZQQ-UHFFFAOYSA-N 270.241 -0.111 10 10 CBCE CN(C)C(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169911891 UZKLHYGMARIMIM-UHFFFAOYSA-N 283.284 -0.196 10 10 CBCE CN(C)C[C@](C)(O)CNC(=O)c1cc(O)nc(O)c1 227905340 DWUGRLMFFPVMGO-GFCCVEGCSA-N 269.301 -0.465 10 10 CBCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)[C@@H](CO)C3)ccc21 396795427 DRPNEHDSFCKRHV-WQHBLYJGSA-N 277.324 -0.182 10 10 CBCE CN1CCN(C(=O)c2ccc(O)c(O)c2)C[C@@H]1CN 687611354 AYGRLRXKMGYAEB-JTQLQIEISA-N 265.313 -0.187 10 10 CBCE CN[C@@H](C)c1ccc(N(CC(N)=O)CC(N)=O)c(F)c1 723172430 YRCDRSUCQCJEBZ-QMMMGPOBSA-N 282.319 -0.117 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)[C@H](CO)C1 1642402633 ZHSWDXCYSZJHHU-JOYOIKCWSA-N 267.281 -0.548 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCNC[C@H]2CO)cc1 1876533049 KFKDQLIFFWFDCX-LBPRGKRZSA-N 285.369 -0.635 10 10 CBCE Cn1cc(S(=O)(=O)N2CC[C@@H](N=[N+]=[N-])C2)nn1 1912201163 QDQUNGGMGRKCQS-ZCFIWIBFSA-N 257.279 -0.112 10 10 CBCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H](O)CN1 2091749696 ZUQQGRNIWVIOKX-VHSXEESVSA-N 266.297 -0.521 10 10 CBCE O=C(O)CC1(O)CN(C(=O)c2cccc(O)c2O)C1 2110676205 SCLHUPFCJCZEFR-UHFFFAOYSA-N 267.237 -0.241 10 10 CBCE NC(=O)[C@H]1CCN1S(=O)(=O)CCOc1ccc(N)cc1 2145612309 FFERAFVBAKJRHK-LLVKDONJSA-N 299.352 -0.463 10 10 CBCE CN1CCc2cc([C@@H](O)[C@H](N)c3nnn(C)n3)ccc21 2147914141 KJEALILSLXOYBX-NWDGAFQWSA-N 274.328 -0.064 10 10 CBCE CN1C[C@@H](O)[C@H](N(CC(N)=O)Cc2ccc(N)cc2)C1 2156968499 DGXBCSKYWRYXIN-CHWSQXEVSA-N 278.356 -0.769 10 10 CBCE COCC[C@]1(NC(=O)c2cc(O)nc(O)c2)CCNC1 2157555976 VAIMINXOHJTNDV-CYBMUJFWSA-N 281.312 -0.009 10 10 CBCE O=C1N[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@H]2NC1=O 2166790778 KOBJPZCGXNPJKU-NXEZZACHSA-N 295.726 -0.156 10 10 CBCE Nc1ccc(OCCN2CC3(C2)OC[C@H](O)[C@H]3O)cc1 2183626759 LAIIIZRDCIFAND-QWHCGFSZSA-N 280.324 -0.546 10 10 CBCE Nc1ccc(OCCC(=O)NCC[C@H](N)C(=O)O)cc1 2191758361 QYWYDSCKPWITGZ-NSHDSACASA-N 281.312 -0.044 10 10 CBCE COc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1F 2273680756 KHABXKKXWUNLTQ-WLTAIBSBSA-N 271.288 -0.015 10 10 CBCE O=C1NC(=S)N(C2CC2)C(=O)C1=CNCCCO 2296132990 TUYPKGOOPRGYCU-UHFFFAOYSA-N 269.326 -0.752 10 10 CBCE O=C([C@H]1CNc2ccccc2N1)N1C[C@@H](O)[C@H](O)C1 2328974341 UPMDZERGDLADTL-IJLUTSLNSA-N 263.297 -0.543 10 10 CBCE Nc1ccc(OC[C@@H](O)CN(CCO)CCO)cc1 40694729 NCYSPJVIYPOEQR-LBPRGKRZSA-N 270.329 -0.705 10 10 CBCE CO[C@H]1CNC[C@H]1NC(=O)c1cccc(O)c1O 126650689 AKLZPIIPMFOLOX-SCZZXKLOSA-N 252.270 -0.186 10 10 CBCE CCN(CC(N)=O)C[C@@H](O)COc1ccc(N)cc1 231815215 IXGVWBJSRJTSBB-LLVKDONJSA-N 267.329 -0.184 10 10 CBCE N[C@H]1C(=O)Nc2cc(N3CC[C@@](O)(CO)C3)ccc21 314279419 YOVDHQGUNQQEPQ-YPMHNXCESA-N 263.297 -0.428 10 10 CBCE Cn1cnnc1NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 382394568 PFEPAFOSBJSBKP-QMMMGPOBSA-N 277.284 -0.265 10 10 CBCE C[C@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)CCC(N)=O 399231598 DZYKGDIGCDWQKG-MRVPVSSYSA-N 299.352 -0.114 10 10 CBCE [N-]=[N+]=NCCCNC(=O)Cn1nc(O)ccc1=O 701264018 KEGSPXAGJKTESC-UHFFFAOYSA-N 252.234 -0.235 10 10 CBCE Nc1ccc(OCCC(=O)N2CCNNCC2)cc1 1876476814 BDJOWDHZULKPBQ-UHFFFAOYSA-N 264.329 -0.026 10 10 CBCE NC(=O)c1cccc(N)c1N[C@H]1COCC[C@H]1N 2071696588 ZVIVVGQLOJODOB-SCZZXKLOSA-N 250.302 -0.104 10 10 CBCE NCc1nc(=NC(=O)c2cc(O)c(O)c(O)c2)s[nH]1 2132414322 VXAOSEFZWAYMTL-UHFFFAOYSA-N 282.281 -0.212 10 10 CBCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2160715324 HUGHZEOLYAQBQH-HZZFPTLFSA-N 279.292 -0.407 10 10 CBCE Nc1ccc(CS(=O)(=O)NC[C@@]2(O)CCCNC2)cc1 2201304974 KRHLJQICTSMZJD-CYBMUJFWSA-N 299.396 -0.197 10 10 CBCE Nc1ccc(O)c(CN2CC[C@](O)(CO)[C@H](O)C2)c1 2225732535 LQMMMWNTCNURGD-OLZOCXBDSA-N 268.313 -0.736 10 10 CBCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(CCO)C1CC1 40461727 ZQHGSJGUXKTABH-NSHDSACASA-N 280.324 -0.049 10 10 CBCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1cn(CCO)nn1 90637921 DPTFHEHNBVPELF-MRVPVSSYSA-N 268.281 -0.913 10 10 CBCE CC(=O)N1CCC(NCCN=[N+]=[N-])(C(N)=O)CC1 302275649 FKYRZMAUBYTBRP-UHFFFAOYSA-N 254.294 -0.247 10 10 CBCE CNC(=O)NCCNC(=O)COc1ccc(N)cc1 397398359 CIWMFXAUZYHEQY-UHFFFAOYSA-N 266.301 -0.307 10 10 CBCE O=C(c1cc(O)nc(O)c1)N1CCOC[C@@H](O)C1 399872219 QHIOPPDHDYVRJX-QMMMGPOBSA-N 254.242 -0.674 10 10 CBCE O=C(N[C@H]1COCCC1=O)c1cc(O)nc(O)c1 717187726 RYXQKSVPIYBERF-ZETCQYMHSA-N 252.226 -0.419 10 10 CBCE COC1(C(=O)NCCc2ccc(O)c(O)c2)CNC1 1917738585 IWRCPRMOSJFLRX-UHFFFAOYSA-N 266.297 -0.255 10 10 CBCE COc1cccc(CN2CC(=O)NC[C@@H]2C(=O)O)c1O 1963442560 YJJHJAMJFQXNSH-SECBINFHSA-N 280.280 -0.214 10 10 CBCE Cn1cc([C@@H](N)C(=O)C(=O)C[C@H]2C[C@H](N)C2)cn1 2049785115 WGPQUGPCAYSEIG-BCMRRPTOSA-N 250.302 -0.315 10 10 CBCE NC1[C@@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]12 2068623525 HOXMFQLIMRMNSC-RNFRBKRXSA-N 250.254 -0.168 10 10 CBCE OCC1(c2nc(-c3ccc(O)c(O)c3)no2)CNC1 2114382936 RDJBUOCSFUEPMQ-UHFFFAOYSA-N 263.253 -0.019 10 10 CBCE COC[C@](C)(CO)NC(=O)c1cc(O)c(O)c(O)c1 2132349588 FJTKJQUEZOWQQU-LBPRGKRZSA-N 271.269 -0.069 10 10 CBCE O=C1N[C@H]2CN(c3ccc(CO)cc3F)C[C@H]2NC1=O 2166789400 SVXOKBSBQNDTOI-AOOOYVTPSA-N 279.271 -0.879 10 10 CBCE CN[C@@H](C)c1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2184142278 XXWXFNBMEMUPJJ-CABZTGNLSA-N 276.340 -0.243 10 10 CBCE NC[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCCO1 2188929384 OYJPCRNFEDQJIL-VIFPVBQESA-N 282.296 -0.007 10 10 CBCE Nc1ccc(CS(=O)(=O)N2CCN[C@H]3COC[C@@H]32)cc1 2191633640 HLRFMUVYTSZILP-STQMWFEESA-N 297.380 -0.229 10 10 CBCE Nc1ccc(O)c(CN2CC[C@@](O)(CO)[C@@H](O)C2)c1 2225732536 LQMMMWNTCNURGD-QWHCGFSZSA-N 268.313 -0.736 10 10 CBCE