smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1[N+](=O)[O-] 100664390 QODCXZVHQBEILU-ZDBRSUKYSA-N 323.312 3.470 10 50 DGCA COc1cccc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)c1 4942339 AKYXUIYZMIYDGR-KRWDZBQOSA-N 310.353 3.098 10 50 DGCA O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1C1CCCCC1 17027743 PEPFVDSMVQEEGF-NDUUIVGLSA-N 314.341 3.471 10 50 DGCA Cc1c(O)c(CN2CCCCC2)cc2c3c(c(=O)oc12)CCC3 5025600 AKQVGRIQAGGGGC-UHFFFAOYSA-N 313.397 3.282 10 50 DGCA COc1ccc(C2=C/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1 5073014 UPTQXKGPMPXULW-RIYZIHGNSA-N 322.316 3.405 10 50 DGCA C[C@H]1CCCN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)C1 4754850 JMNDQHVRZLWUJG-LUHPIMIVSA-N 302.399 3.094 10 50 DGCA C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)C1 4616780 DULXBHJAQXWLMK-LUHPIMIVSA-N 302.399 3.094 10 50 DGCA Cc1ccc(O)c(CN2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)c1 65398062 NTOKFSKZWPIKQF-PKOBYXMFSA-N 315.388 3.190 10 50 DGCA COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 13673590 YDOHRBDXDUNLNO-UHFFFAOYSA-N 310.397 3.225 10 50 DGCA Nc1ccc(CC(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1 237880166 MMLAOUPYKDSZFL-UHFFFAOYSA-N 312.388 3.389 10 50 DGCA O=C(O)CCc1ccc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 2886287 HBTVQKCDNKPOJC-MRXNPFEDSA-N 317.360 3.490 10 50 DGCA O=C(C[C@H](c1ccccc1O)N1CCCCC1)N1CCCCC1 191024 HGKDAPBOUPXJKC-QGZVFWFLSA-N 316.445 3.322 10 50 DGCA O=C(O)CCc1ccc(-c2cccs2)n1C[C@@H]1CCCO1 1050954 CVJKRURZMFGANZ-ZDUSSCGKSA-N 305.399 3.413 10 50 DGCA Nc1ccc([N+](=O)[O-])c(NCCCSc2nccs2)c1 193429468 WETSPVPFMUHPTQ-UHFFFAOYSA-N 310.404 3.228 10 50 DGCA Cc1nc(N)sc1-c1csc(Nc2ccc(N)cc2)n1 2869226 GDMQLKIPCSWQPD-UHFFFAOYSA-N 303.416 3.483 10 50 DGCA Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(C)c1 207214 YQXOLMNQJPKIJJ-UHFFFAOYSA-N 311.790 3.463 10 50 DGCA C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(C)C1=O 15229514 DRBKZYNZUMJFLP-PGEKAQRJSA-N 303.408 3.225 10 50 DGCA C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)C1 4616779 DULXBHJAQXWLMK-ZECSTPGPSA-N 302.399 3.094 10 50 DGCA O=c1oc2c(CN3CCCC3)c(O)c(Cl)cc2c2c1CCC2 20134510 QKKLEPZJDKEPEJ-UHFFFAOYSA-N 319.788 3.237 10 50 DGCA CC(=O)NC1=NC(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S1 6195727 WBUVMTOAGJADPK-UKTHLTGXSA-N 302.399 3.091 10 50 DGCA COc1ccc(C2=NN(C(C)=O)[C@H](c3cccs3)C2)c(O)c1 253433425 WRKNYIFADQIROU-AWEZNQCLSA-N 316.382 3.160 10 50 DGCA O=C1N=C(O)/C(=C/c2cccs2)C(=O)N1c1ccccc1F 8995739 XWSXUJBCRLWUKT-NTMALXAHSA-N 316.313 3.394 10 50 DGCA CCC1=NN2C(=N)/C(=C/c3c[nH]c4ccccc34)C(=O)N=C2S1 5091240 LWZKCJJGUJVMLL-HGWDMYKUSA-N 323.381 3.197 10 50 DGCA Nc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 8306617 ZXFZRBUGIGDOBL-UHFFFAOYSA-N 310.275 3.305 10 50 DGCA CN1C=CC=C/C1=C1\SC(=S)N(C2CCCCC2)C1=O 100302814 JZWDBAFLFRXWBE-OUKQBFOZSA-N 306.456 3.406 10 50 DGCA COCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 2682688 LSXOCSYEWIBQRQ-FLIBITNWSA-N 313.831 3.188 10 50 DGCA Cc1oc2c(O)c(O)ccc2c(=O)c1Oc1ccc(F)cc1 6556402 SLQORQFIQWNOPJ-UHFFFAOYSA-N 302.257 3.444 10 50 DGCA CCCCN1C(=O)N=C(O)/C(=C/c2c[nH]c3ccccc23)C1=O 17043397 WMPXHSAJCUSKCF-LCYFTJDESA-N 311.341 3.270 10 50 DGCA CCCOc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1 2899869 DXMADMQLZBLVKG-UHFFFAOYSA-N 315.325 3.132 10 50 DGCA COC(=O)c1ccc(F)c(NCc2ccc(N(C)C)c(F)c2)c1 170593181 DYGNPUCJZGRSPQ-UHFFFAOYSA-N 320.339 3.430 10 50 DGCA CN(C)c1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100331380 GKBPONRNJFYWJU-SFHVURJKSA-N 317.396 3.400 10 50 DGCA COc1ccc(O)c([C@H](C)NCc2cccc(OC)c2F)c1 845971833 NGNDFLOWDCOWSV-NSHDSACASA-N 305.349 3.399 10 50 DGCA COCc1cc(CN2CCC(C)CC2)c(O)c2ncccc12 21964221 QPMKGHCNJSRHSS-UHFFFAOYSA-N 300.402 3.319 10 50 DGCA C[C@H](NC1CCN(Cc2ccncc2)CC1)c1ccccc1O 183430555 ATTLWNYSDQCEIJ-HNNXBMFYSA-N 311.429 3.102 10 50 DGCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cccs1 12412911 PUKRTSOVAYQRPV-ZROIWOOFSA-N 312.350 3.252 10 50 DGCA CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1193467 QNWPUBZZBTWIPC-TWGQIWQCSA-N 314.229 3.280 10 50 DGCA CC(C)C(=O)N[C@H](c1ccco1)c1ccc2cccnc2c1O 446433 PBZYAPZLINAHET-INIZCTEOSA-N 310.353 3.395 10 50 DGCA Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2C)cc1 65369 RXZVNDMOEPFRQW-UHFFFAOYSA-N 311.790 3.463 10 50 DGCA COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1O 1189282 SYMROXXCJHLMJC-GHXNOFRVSA-N 309.412 3.010 10 50 DGCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C[C@@H]1CCCO1 13370580 PDOGOEDPPLYLKG-OEMOTLHWSA-N 323.414 3.206 10 50 DGCA O=c1oc2c(CN3CCCCC3)c(O)ccc2c2c1CCCC2 116755 DCHFPDPBVJROEJ-UHFFFAOYSA-N 313.397 3.363 10 50 DGCA biogenic CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccc(N)cc2)C1 36075387 GUAMKRWLEBSKSY-OAHLLOKOSA-N 319.449 3.006 10 50 DGCA in-vitro COc1cccc([C@H]2CC(c3ccccc3)=NN2C(C)=O)c1O 6701889 UYPMLPVTWCFTSU-MRXNPFEDSA-N 310.353 3.098 10 50 DGCA COCCn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 2881531 MJFCRNXGYHTPMT-UHFFFAOYSA-N 307.777 3.472 10 50 DGCA CC(C)(C)C(=O)CSc1nnc2c(n1)[nH]c1ccccc12 18222130 GEXUZWVWAMSNMG-UHFFFAOYSA-N 300.387 3.213 10 50 DGCA CCN1C(=O)/C(=C(C)\C=C2\SCCN2CC)SC1=S 33469532 OSLSLOGUEYOZSX-GFULKKFKSA-N 314.501 3.051 10 50 DGCA C[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn12)C1CC1 267562129 KCTJQNLWEVJSQR-LBPRGKRZSA-N 306.369 3.381 10 50 DGCA CCOc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1 459663 PLFSNCFQTBWNPT-UHFFFAOYSA-N 318.369 3.331 10 50 DGCA CC(C)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 5049615 QNGQLFXXPOFBDK-UKTHLTGXSA-N 306.456 3.362 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@H]1N=Nc1ccc([N+](=O)[O-])cc1 252428395 BYBIBYBLMSEYRI-HNNXBMFYSA-N 323.312 3.470 10 50 DGCA CC1CCN(C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)CC1 272370 YXVQVHPYLWLIEP-UVTDQMKNSA-N 302.399 3.094 10 50 DGCA O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCC(=O)O 4124337 CEMNKMIIJIGMDQ-UHFFFAOYSA-N 321.760 3.300 10 50 DGCA COc1ccc(N2CCN(c3ccc(C(C)=O)s3)CC2)cc1 1394941 XGRRAPBDAGINAM-UHFFFAOYSA-N 316.426 3.286 10 50 DGCA Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1 4735798 JOLQVCSACHHEIT-UHFFFAOYSA-N 305.399 3.427 10 50 DGCA C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(C)C1=O 15229513 DRBKZYNZUMJFLP-LMRAXHDRSA-N 303.408 3.225 10 50 DGCA O=C(CCC1CCN(Cc2ccccc2O)CC1)N1CCCC1 12432905 LJPWOMOWSRVHGJ-UHFFFAOYSA-N 316.445 3.007 10 50 DGCA O=C1NC(=S)S/C1=C\c1ccc(OC2CCCC2)cc1 1136790 LNDYWIYKZYLSGB-LCYFTJDESA-N 305.424 3.497 10 50 DGCA CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)SC1=S 1163365 BJAXERUCTBSFNR-JYRVWZFOSA-N 323.439 3.233 10 50 DGCA CN(C)c1ccc([C@@H]2NC[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 19584915 WSWBHMYQXHYXQX-DLBZAZTESA-N 313.357 3.021 10 50 DGCA CC[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccccc1O 156706775 JNTCUISYNCLHMU-KKSFZXQISA-N 303.427 3.371 10 50 DGCA Cc1ccc(O)c(CN2CCC([C@H](C)N3CCCC3)CC2)c1 65494319 OOLYABGRRYIVJK-INIZCTEOSA-N 302.462 3.397 10 50 DGCA O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2ccccc12 1441476 WJIQLOUOBRNIBE-UHFFFAOYSA-N 303.317 3.342 10 50 DGCA Oc1c(Cl)cc(Cl)cc1CN1CCCn2cncc2C1 72124076 OBHVOVVIQOATJY-UHFFFAOYSA-N 312.200 3.301 10 50 DGCA COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1O 1182027 ANTSEQWNMRNVBS-QPEQYQDCSA-N 323.439 3.258 10 50 DGCA COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccccc2O)C1 183555404 GJJOBXJTTMUWAJ-GJZGRUSLSA-N 312.413 3.330 10 50 DGCA CN(C)c1ccc(CN2CCC(N3CCCCC3)CC2)cc1 23280820 ILXOGKXVXYDXEM-UHFFFAOYSA-N 301.478 3.203 10 50 DGCA COc1ccccc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 100296152 GRYZFJGULDNDRN-QINSGFPZSA-N 307.353 3.414 10 50 DGCA O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1Cc1ccco1 1187854 CYCRNJNZXCZOMF-JYRVWZFOSA-N 317.391 3.387 10 50 DGCA O=C1NC(=S)/C(=C/c2cc(Br)ccc2O)S1 13805664 LQDAZUXJRFEYTB-YWEYNIOJSA-N 316.201 3.279 10 50 DGCA O=C(NCc1c(O)cc(O)cc1O)c1ccccc1C1CCC1 1776003648 CBKSSXZNCQPDPS-UHFFFAOYSA-N 313.353 3.001 10 50 DGCA COc1ccc2ccccc2c1C=C1C(=O)OC(C)(C)OC1=O 187012 AREXOZYLSUSQQD-UHFFFAOYSA-N 312.321 3.068 10 50 DGCA CCc1c(C)c2ccc(O)c(CN3CCCCC3)c2oc1=O 5041611 PFUFGKGEPUYZND-UHFFFAOYSA-N 301.386 3.355 10 50 DGCA COc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 13669893 AAQIOZTYIQYXGJ-UHFFFAOYSA-N 310.397 3.225 10 50 DGCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1O 15011451 PRELBYJLRULZOV-XYOKQWHBSA-N 309.412 3.012 10 50 DGCA O=C(CC(C1CCC1)C1CCC1)NCc1c(O)cccc1O 952992710 IYCZHOICCGJLEQ-UHFFFAOYSA-N 303.402 3.321 10 50 DGCA COc1ccc(O)c([C@H]2NN=C(Cc3ccccc3)S2)c1 275212 QCEBWBMBZVQITE-INIZCTEOSA-N 300.383 3.292 10 50 DGCA COc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)ccc1O 19891779 ANTSEQWNMRNVBS-NTUHNPAUSA-N 323.439 3.258 10 50 DGCA O=C1N=C(Nc2ccccc2)S/C1=C/c1ccccc1C(=O)O 16905151 CYOFLNUOICVGOA-GXDHUFHOSA-N 324.361 3.467 10 50 DGCA S=C(NCc1ccccn1)Nc1ccc(Br)cc1 302205 ZRZVGJVSFKCMIY-UHFFFAOYSA-N 322.231 3.331 10 50 DGCA COc1ccc2c(c1O)[C@H](Cc1ccc(O)cc1)[N+](C)(C)CC2 6068297 POJZOQWVMMYVBU-INIZCTEOSA-O 314.405 3.023 10 50 DGCA endogenous,in-man COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccccc2O)C1 183555372 GJJOBXJTTMUWAJ-LSDHHAIUSA-N 312.413 3.330 10 50 DGCA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccco1 3996938 ZWOSCBYMUSWKBN-UHFFFAOYSA-N 317.300 3.307 10 50 DGCA c1ccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)nc1 1506395721 FDIZIHIESCSPIN-UHFFFAOYSA-N 307.441 3.329 10 50 DGCA COc1ccc([C@H]2C[C@H](C)N(C(=O)Cc3ccc(N)cc3)C2)cc1 159973488 GFWDVVJMJOQVIW-YOEHRIQHSA-N 324.424 3.225 10 50 DGCA CCCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12 489394 YXZGUTMEWULFJB-UHFFFAOYSA-N 301.386 3.437 10 50 DGCA c1ccc(N2CC[C@@H](NCc3ccc4c(c3)CCCO4)C2)cc1 1506430037 WVVJNURNQFUVJE-GOSISDBHSA-N 308.425 3.380 10 50 DGCA COc1ccc(N2CCN(Cc3cccc(F)c3)CC2)cc1 55543195 XJTIWRVNGXCGFI-UHFFFAOYSA-N 300.377 3.157 10 50 DGCA COc1ccc([C@@H]2C[C@H](C)N(C(=O)Cc3ccc(N)cc3)C2)cc1 159973748 GFWDVVJMJOQVIW-WMLDXEAASA-N 324.424 3.225 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(N(C)C)cc1 100497426 NETYOHTYOJYJEY-QGOAFFKASA-N 320.396 3.471 10 50 DGCA C[n+]1c(/N=N/S(=O)(=O)c2ccccc2)ccc2ccccc21 2541094 KMTLLCWWJLRWLQ-UHFFFAOYSA-N 312.374 3.137 10 50 DGCA CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1O 13784882 RRTUVWXKXRQMCN-JYRVWZFOSA-N 323.439 3.401 10 50 DGCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccco3)C2=O)cc1 5061480 FLMVHXQAZQHDGM-GDNBJRDFSA-N 324.336 3.069 10 50 DGCA c1ccc([C@H]2OCC[C@@H]2CNCc2ccc3c(c2)CCO3)cc1 328587767 HMJLSXIPFOFEQR-UYAOXDASSA-N 309.409 3.489 10 50 DGCA CN(C)c1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100331384 GKBPONRNJFYWJU-GOSISDBHSA-N 317.396 3.400 10 50 DGCA COc1ccc(OC)c(C2=C/C(=C/c3ccc(O)cc3)C(=O)O2)c1 277090 VVQGYBUQMQYROQ-LCYFTJDESA-N 324.332 3.391 10 50 DGCA CN(C)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 19537066 ZLLQOOIADRDNBM-UHFFFAOYSA-N 309.457 3.070 10 50 DGCA Cc1cccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)c1 71775349 IAPGCKOZBGGGQD-UHFFFAOYSA-N 306.369 3.074 10 50 DGCA CCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 1083669 QJWUMQNCKKFBRE-ALCCZGGFSA-N 318.217 3.263 10 50 DGCA CC(C)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1140283 GTERZIGSSVHHRI-MLPAPPSSSA-N 321.423 3.273 10 50 DGCA COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccccc2O)C1 183555389 GJJOBXJTTMUWAJ-HUUCEWRRSA-N 312.413 3.330 10 50 DGCA CCCC1=NN2C(=N)/C(=C/c3cccs3)C(=O)N=C2S1 107059 XKRWLTZAWSTQFM-KRMPGRMBSA-N 304.400 3.167 10 50 DGCA CC(C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 4793791 VQHJLVXOYOBUFS-YRNVUSSQSA-N 308.384 3.204 10 50 DGCA O=C1N=C(O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1 9012854 GEHYVUBPZULCLR-UHFFFAOYSA-N 316.700 3.190 10 50 DGCA CN1C=CC=C/C1=C1\SC(=S)N(Cc2ccccc2)C1=O 100269062 SOEBRWNWZYYKDJ-BUHFOSPRSA-N 314.435 3.274 10 50 DGCA O=C(c1cccc(O)c1O)N1CC[C@H](c2c(F)cccc2F)C1 193166770 ZDJHKHBDSJIBIG-JTQLQIEISA-N 319.307 3.006 10 50 DGCA O=C1N=C(O)/C(=C/c2ccc[nH]2)C(=O)N1c1ccc(Cl)cc1 9330004 QTWBGFYFRUTUNQ-WQLSENKSSA-N 315.716 3.175 10 50 DGCA CCCC[C@@H]1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O 2041017 HFHZKZSRXITVMK-QGZVFWFLSA-N 324.380 3.493 10 50 DGCA biogenic,world C[C@H](O)CCN(Cc1cccs1)c1ccc2c(c1)OCCO2 241126102 JJNUYGYEQXGPDJ-ZDUSSCGKSA-N 319.426 3.297 10 50 DGCA COc1cc([C@H]2CC(c3cc(Cl)ccc3O)=NN2)ccc1O 105850670 FRLMNEJVHPMOPC-GFCCVEGCSA-N 318.760 3.199 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 100293959 PYPWGJFDFKPITE-LFIBNONCSA-N 307.309 3.401 10 50 DGCA C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2O)N[C@H]1c1ccccc1O 229899671 KRXSFOJTJIEHNA-KZBLUPIWSA-N 311.381 3.325 10 50 DGCA COCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 4823903 YYADCLDKFYYINK-XFXZXTDPSA-N 311.403 3.063 10 50 DGCA CCc1cc(OC)c(CCNCc2ccccc2O)cc1OC 1775953774 SYBINTRPEZWFLZ-UHFFFAOYSA-N 315.413 3.304 10 50 DGCA COc1ccccc1/C=C1/SC(N2CCCCC2)=NC1=O 80420 OVANXGDAIRYADW-SDNWHVSQSA-N 302.399 3.151 10 50 DGCA Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)ccn1 274334607 GRMQGIGYVOPQHS-UHFFFAOYSA-N 315.392 3.102 10 50 DGCA COc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1 55543818 YIIRRGBEYGSLTR-UHFFFAOYSA-N 300.377 3.157 10 50 DGCA COc1ccc(O)c([C@H](C)NCc2cc(C(=N)O)cs2)c1 328595645 ZUOZTGSHZGXQGV-VIFPVBQESA-N 306.387 3.196 10 50 DGCA c1cc(N2CCOCC2)ccc1CN1CCC[C@H]2CCC[C@H]21 245554151 GQXMMVGSWMXUHF-IEBWSBKVSA-N 300.446 3.288 10 50 DGCA COc1ccc(N2CCN(Cc3ccccc3OC)CC2)cc1 19809214 JUBCECWKFHHJMN-UHFFFAOYSA-N 312.413 3.026 10 50 DGCA Cc1c(O)ccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C 92465 PFYBFFBATJZYNJ-UHFFFAOYSA-N 311.790 3.463 10 50 DGCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\N(C)C 31994760 FNRWHPSTRSFCCL-KHPPLWFESA-N 314.414 3.245 10 50 DGCA CC[C@@H]1C=CCN1C1CCN(c2ccc3c(c2)OCO3)CC1 952973702 HNUBVUWOGCQJMF-CQSZACIVSA-N 300.402 3.035 10 50 DGCA Cc1c(NS(=O)(=O)c2ccccc2)cc(Cl)c(O)c1C 65413 LEILQUVZVYXNRY-UHFFFAOYSA-N 311.790 3.463 10 50 DGCA COc1ccc(N2CCN(Cc3cccc(OC)c3)CC2)cc1 55543929 GHHCXKSAROLVAO-UHFFFAOYSA-N 312.413 3.026 10 50 DGCA COc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1 618360 IGUUGYDKZSBHLJ-UHFFFAOYSA-N 316.445 3.314 10 50 DGCA Cc1cnc(-c2cn(Cc3ccc(N(C)C)cc3)nn2)c(C)c1 2325772611 GJFLLYHHJCYMGH-UHFFFAOYSA-N 307.401 3.071 10 50 DGCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/N(C)C 100163513 FNRWHPSTRSFCCL-ZHACJKMWSA-N 314.414 3.245 10 50 DGCA O=C(C[C@@H](c1ccccc1O)N1CCCCC1)N1CCCCC1 191028 HGKDAPBOUPXJKC-KRWDZBQOSA-N 316.445 3.322 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)cn1 13648138 OYFYWXCSPDVQNH-UVTDQMKNSA-N 312.760 3.454 10 50 DGCA C[C@H]1CN(c2ccc(N)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C 44126992 GSALRQQUCCLTEJ-BETUJISGSA-N 305.422 3.103 10 50 DGCA COc1cccc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1O 65387786 IWUVXHJRZXJMSX-UHFFFAOYSA-N 303.406 3.053 10 50 DGCA COC1CCN(c2ccc(CN3CCSC[C@H]3C)cc2)CC1 408519518 OVPMOZOEPNIOSP-OAHLLOKOSA-N 320.502 3.239 10 50 DGCA O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@H]1c1ccccc1 922621432 CGYVDJGJYYMWEY-KBPBESRZSA-N 314.360 3.134 10 50 DGCA Cc1n[nH]cc1CN(C)C1CCN(c2ccc3c(c2)CCC3)CC1 952869158 IVQXXPZEZCQNNE-UHFFFAOYSA-N 324.472 3.308 10 50 DGCA COc1cc(C)cc(CN2CCc3cccc(F)c3C2)c1O 124852295 UAUSQDWHUHNVAC-UHFFFAOYSA-N 301.361 3.407 10 50 DGCA CC[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccccc1O 156706907 JNTCUISYNCLHMU-IERDGZPVSA-N 303.427 3.371 10 50 DGCA CN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S 4919433 PARGYFRAUPQJOJ-RMKNXTFCSA-N 301.339 3.119 10 50 DGCA CCCCC1(C)OC(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)O1 2121005 SWDXOPMGYCRXCB-UHFFFAOYSA-N 317.385 3.142 10 50 DGCA c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]2CCC[C@H]21 245554156 GQXMMVGSWMXUHF-PKOBYXMFSA-N 300.446 3.288 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1 100148954 GJKUANGADYXLQC-LFIBNONCSA-N 322.324 3.313 10 50 DGCA COc1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)c(OC)c1 275170 NEXOABGLJKVTBF-JYRVWZFOSA-N 309.321 3.080 10 50 DGCA C/C(=C1/SC(N2C[C@H](C)O[C@@H](C)C2)=NC1=O)c1ccccc1 4197423 NWIBIQZUFDWWQW-DCMULQSBSA-N 316.426 3.156 10 50 DGCA O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1Cc1ccccc1 8994178 IWSCRHCKSMAHNO-VVGDYKIKSA-N 322.320 3.338 10 50 DGCA Nc1ccc(CC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 237882768 ZSVCIZFVEDWZHT-GOSISDBHSA-N 312.388 3.184 10 50 DGCA Cc1ccc(O)c(CN2CCC[C@H](OCc3cccnc3)C2)c1 65535549 KVBCUPOFBIQRDL-SFHVURJKSA-N 312.413 3.277 10 50 DGCA CCN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC1=S 12730176 TXJSFYCYKJAIGC-SWCFZJNMSA-N 320.395 3.372 10 50 DGCA CCn1cncc1CNC1CCN(c2ccc3c(c2)CCC3)CC1 1506396450 TWJLMNVOIJABBV-UHFFFAOYSA-N 324.472 3.150 10 50 DGCA COc1cccc(CN2CCCC[C@H]2CCn2cccn2)c1O 65419756 TVIXWAKPJFUSMB-INIZCTEOSA-N 315.417 3.042 10 50 DGCA CCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12 20327878 UFBXKTSJVCPAQD-UHFFFAOYSA-N 307.777 3.310 10 50 DGCA aggregator O=C1c2ccccc2C(=O)C1c1cc[n+](Cc2ccccc2)cc1 101012477 NKQPZDOOFOHSQV-UHFFFAOYSA-N 314.364 3.185 10 50 DGCA C[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1ccccc1O 91845637 IXTWHECEUIEKRT-NSHDSACASA-N 312.344 3.224 10 50 DGCA CCc1cn[nH]c1[C@H]1CCCN(Cc2c(O)cccc2OC)C1 12150390 VAYAGHAWCAMHOV-AWEZNQCLSA-N 315.417 3.066 10 50 DGCA CCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 3833574 BRCMTYWHBUUPCB-UVTDQMKNSA-N 314.414 3.292 10 50 DGCA COc1ccccc1[C@H]1CC(c2cc(Cl)ccc2O)=NN1 462411 JWFLLVHSWBGEKX-CYBMUJFWSA-N 302.761 3.493 10 50 DGCA COc1ccc(C2=C/C(=C/c3ccc(O)cc3)C(=O)O2)c(OC)c1 268813 KAQGHLIOKGZFPJ-LCYFTJDESA-N 324.332 3.391 10 50 DGCA CN(C)c1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1 117714 RWOOVKSVZABWRU-ROUUACIJSA-N 319.412 3.490 10 50 DGCA CC[C@H](NCc1ccc([S@](C)=O)cc1)c1ccccc1O 156706517 JNTCUISYNCLHMU-HRAATJIYSA-N 303.427 3.371 10 50 DGCA O=C1/C(=C/c2ccccc2F)SC(=S)N1C[C@@H]1CCCO1 13739495 SPZIUJWGHLTEIQ-LFTLCWSBSA-N 323.414 3.206 10 50 DGCA Cc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12 19789528 KTTAQVUVZWEFEQ-UHFFFAOYSA-N 307.777 3.446 10 50 DGCA COc1ccc(OC)c(C2=C/C(=C/c3ccccn3)C(=O)O2)c1 275139 USUNDICTRCEFJD-XFXZXTDPSA-N 309.321 3.080 10 50 DGCA CN(C)c1ccc([C@@H]2NC[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 19584919 WSWBHMYQXHYXQX-IAGOWNOFSA-N 313.357 3.021 10 50 DGCA CC(C)CNC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O 4028104 DTKNGTXYJNPQOZ-UHFFFAOYSA-N 320.348 3.425 10 50 DGCA biogenic CCc1ccc2c(c1)[C@@]1(NN=C(c3ccccc3)S1)C(=O)N2 206268 ICJWVAKZQXYHBB-KRWDZBQOSA-N 309.394 3.052 10 50 DGCA [N-]=[N+]=NCCCCCNC(=O)c1ccc(-c2ccccn2)nc1 1875298988 VDOXRERPDGVZQI-UHFFFAOYSA-N 310.361 3.354 10 50 DGCA Cc1[nH]nc(-c2ccc(O)c(O)c2O)c1Oc1ccccc1F 301795 BUGLBMSFECYITP-UHFFFAOYSA-N 316.288 3.433 10 50 DGCA CCOC(=O)c1sc2nc3c(cc2c1N)CO[C@@](C)(CC)C3 524958 OQOQNULQSFFCLL-INIZCTEOSA-N 320.414 3.297 10 50 DGCA COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1OC 1383544 HLSUULIHORSRIE-UHFFFAOYSA-N 318.332 3.372 10 50 DGCA Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 858491650 MKBQAGZJBHNEMP-RDJZCZTQSA-N 310.397 3.304 10 50 DGCA OCc1cccc(NCc2cc(Br)ccc2O)c1 191943487 GCYLZCNGFDHKEB-UHFFFAOYSA-N 308.175 3.259 10 50 DGCA Cc1cc(Br)c2c(c1O)C(=O)c1ccccc1C2=O 227156795 UJEWHDJEZDSXGJ-UHFFFAOYSA-N 317.138 3.239 10 50 DGCA CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O 2970327 HOVYTZNPZVUMKO-KAMYIIQDSA-N 302.399 3.343 10 50 DGCA COc1cccc([C@H](NC(C)=O)c2ccc3cccnc3c2O)c1 4949806 XNISVWUYQDHGJO-KRWDZBQOSA-N 322.364 3.175 10 50 DGCA O=C(CCCc1ccc(Cl)cc1)NCc1ccc(O)cc1O 77323803 JMSLWNRTMXPWAH-UHFFFAOYSA-N 319.788 3.390 10 50 DGCA O=C1NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1Cl 50606 VVZJFICTTKPNCK-KVDBUQHUSA-N 324.767 3.358 10 50 DGCA O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc(F)cc1F 215716 MLCPVYRTXUEAJQ-UHFFFAOYSA-N 323.295 3.021 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(C(=O)O)cc1 101229106 RCYTWTBFGNSMQC-AMGRQBIBSA-N 322.324 3.260 10 50 DGCA Cc1nsc(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 292488736 BHJKGFZQSXSCRK-UHFFFAOYSA-N 315.442 3.290 10 50 DGCA COCCN(Cc1ccc(C)cc1)Cc1cccc(F)c1O 55384893 ZDPXYXIMYQDIPY-UHFFFAOYSA-N 303.377 3.488 10 50 DGCA CC1(C)OC(=O)C(=CSCc2ccc(Cl)cc2)C(=O)O1 1404309 KXRQMMPNORWDJG-UHFFFAOYSA-N 312.774 3.293 10 50 DGCA CCOC(=O)[C@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 219400 HFGHBSYUGAGDJJ-UABRLCRWSA-N 316.445 3.041 10 50 DGCA COc1ccc2nc3cc(Cl)ccc3c(NCCO)c2c1 4897158 YLWSSEWYRMDPDD-UHFFFAOYSA-N 302.761 3.454 10 50 DGCA CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 2031813 TXDUTHBFYKGSAH-GOSISDBHSA-N 303.365 3.315 10 50 DGCA biogenic,in-vitro CCOC(=O)[C@@H]1CCCN(Cc2ccc(N(CC)CC)cc2)C1 16663033 GLLHYZWJLGIRTP-QGZVFWFLSA-N 318.461 3.308 10 50 DGCA Oc1ccc(-c2cnccn2)cc1CNCCc1ccc(F)cc1 20452692 GVEUYXGXTXUOFC-UHFFFAOYSA-N 323.371 3.321 10 50 DGCA COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2)cc1 348702 VBUVGGBNQSKNJE-AWEZNQCLSA-N 302.761 3.493 10 50 DGCA COC(=O)c1ccc(/N=N/Nc2cccc([N+](=O)[O-])c2)cc1 4951241 KICOLOKXAASDDQ-UHFFFAOYSA-N 300.274 3.492 10 50 DGCA CCCC[C@H]1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O 1606505 HFHZKZSRXITVMK-KRWDZBQOSA-N 324.380 3.493 10 50 DGCA biogenic,world Oc1ccccc1CN1CC[C@]2(CCCN(CC3CC3)C2)C1 12712230 WAUVQLFFWAWTGG-IBGZPJMESA-N 300.446 3.090 10 50 DGCA CCOc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)cc1C 1775967670 AZHNRRAAHYBAGQ-UHFFFAOYSA-N 321.398 3.209 10 50 DGCA CCC1=N[C@@H](c2cc(Br)ccc2O)N(O)C1(C)C 23115361 SOAGDTZMWSMMTQ-GFCCVEGCSA-N 313.195 3.488 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C\NOCc1ccccc1 15016293 UHUIVJNONTWXKC-ATVHPVEESA-N 307.353 3.014 10 50 DGCA COc1ccc(C2=C/C(=C/c3ccncc3)C(=O)O2)c(OC)c1 366909 SEAPGRJICYQQPO-LCYFTJDESA-N 309.321 3.080 10 50 DGCA O=C1/C(=C\c2cccs2)SC(=S)N1C[C@@H]1CCCO1 2230150 YTSZOJKTVYQDKG-FKVCUQLRSA-N 311.453 3.128 10 50 DGCA O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@H]1c1ccc2ccccc2n1 100486868 JSMBZXCMSBIKGP-INIZCTEOSA-N 318.288 3.306 10 50 DGCA Cc1cc(C(=O)N2CCc3[nH]cnc3C2)c(C)n1-c1ccccc1 95362534 OCHNMRISSZRKRN-UHFFFAOYSA-N 320.396 3.016 10 50 DGCA C[C@@H](C1CC1)n1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1 930977966 NFPUBVXQIXEZJM-NSHDSACASA-N 312.373 3.107 10 50 DGCA Cc1ccc(N2NC(=O)/C(=C/c3cccs3)C2=O)cc1Cl 4470376 XZJVDGGIIOUKPF-WQLSENKSSA-N 318.785 3.171 10 50 DGCA COc1ccc(NC2=NC(=O)/C(=C\c3ccco3)S2)cc1 5796146 KGSRWXSYHTYCIB-UKTHLTGXSA-N 300.339 3.371 10 50 DGCA Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 54285106 NYLCFXNFOXUQMY-UHFFFAOYSA-N 324.424 3.070 10 50 DGCA Cc1ccc(O)c(CN2CCC([C@@H](C)N3CCCC3)CC2)c1 65494315 OOLYABGRRYIVJK-MRXNPFEDSA-N 302.462 3.397 10 50 DGCA Cc1ccc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 54285120 ODVJSSMSDDXKOX-UHFFFAOYSA-N 324.424 3.070 10 50 DGCA CC[C@@]12C[C@H]1CN(C1CCN(c3ccc(OC)cc3)CC1)C2 1772818453 FMRANJXQXBOIOK-KXBFYZLASA-N 300.446 3.396 10 50 DGCA CN(C)CCOc1ccc(N(C)Cc2cccc3[nH]ncc23)cc1 862325377 AWSUIYHCQLVHQN-UHFFFAOYSA-N 324.428 3.140 10 50 DGCA C[C@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 72115454 JQDQWXPBZFZYJS-INIZCTEOSA-N 324.424 3.371 10 50 DGCA Cc1cc2oc(=O)cc(C)c2c(O)c1CN1CCCCCC1 20412211 INTYNEDVVJDNEF-UHFFFAOYSA-N 301.386 3.491 10 50 DGCA biogenic CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NCc1ccco1 101356581 OCBOYPKOWKWWOW-GDNBJRDFSA-N 315.760 3.329 10 50 DGCA O=C1/C(=C\c2cccs2)SC(=S)N1C[C@H]1CCCO1 2230146 YTSZOJKTVYQDKG-MXFUOJGSSA-N 311.453 3.128 10 50 DGCA CC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4747140 FWWDLTFRYDXUIY-UHFFFAOYSA-N 307.349 3.447 10 50 DGCA CNC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 860419 ZPPIZBDTIQFHJC-UHFFFAOYSA-N 304.802 3.487 10 50 DGCA O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccccc1Cl 215689 HUFAKPNPWBIFBG-UHFFFAOYSA-N 321.760 3.396 10 50 DGCA CCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 4162683 VBZBPNMHDMSZMA-UHFFFAOYSA-N 318.398 3.210 10 50 DGCA CC(C)(C)c1ccc(CN2C[C@@H](C(=O)O)C(C)(C)C2)c(O)c1 2325792748 KGWYQJZONRDFIZ-AWEZNQCLSA-N 305.418 3.232 10 50 DGCA CC(C)(C)c1cccc(CN2CCC3(CCNCC3)C2)c1O 67956090 SJKMZVCBVGZCPQ-UHFFFAOYSA-N 302.462 3.265 10 50 DGCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccco1 2472437 UZFMEXMZCWIBAZ-JXMROGBWSA-N 323.135 3.048 10 50 DGCA Cc1sncc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1875280159 XMHYPNHVYRTPJQ-UHFFFAOYSA-N 315.442 3.324 10 50 DGCA O=C(O)/C=C/c1c(F)c(F)c(N2CCCCC2)c(F)c1F 12343577 DNAZUSLDQICJBN-SNAWJCMRSA-N 303.255 3.331 10 50 DGCA O=C(Cc1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 28336671 OVUQQAVAKKHIJC-UHFFFAOYSA-N 312.388 3.285 10 50 DGCA CCOc1cccc(/C=C2\SC(=S)N(CC)C2=O)c1O 1083091 NXFKWGQWWICYFA-FLIBITNWSA-N 309.412 3.012 10 50 DGCA CC(C)(C)OC(=O)N1CCC(CNCc2ccc(N)cc2)CC1 36075384 XTZONVNYXVXRGW-UHFFFAOYSA-N 319.449 3.006 10 50 DGCA in-vitro c1csc(-c2nc(CNCc3ccc4c(c3)CCO4)no2)c1 295128860 YDPODRBQUDMMFW-UHFFFAOYSA-N 313.382 3.023 10 50 DGCA Cc1cc(CN(C)Cc2cc(-c3ccccn3)ccc2O)on1 11912594 RJKPVTRMCNJVOR-UHFFFAOYSA-N 309.369 3.383 10 50 DGCA CCN(CC)c1ccc(/C=C2\SC(=S)NC2=O)c(OC)c1 16675579 NWMRJIWPFXWTMF-JYRVWZFOSA-N 322.455 3.030 10 50 DGCA Oc1ccccc1CN[C@@H]1CCCN(Cc2ccccc2F)C1 19219005 XXCZMFOZZCKOMW-QGZVFWFLSA-N 314.404 3.286 10 50 DGCA CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 449657 GLWDFHHMQGYEHL-IBGZPJMESA-N 307.397 3.450 10 50 DGCA O=C(Nc1cccc(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 472044 WLQDEYQOYRMNLI-UHFFFAOYSA-N 311.341 3.447 10 50 DGCA CC[C@H](NCc1cccnc1-n1cccn1)c1ccccc1O 155084641 BPNBZVOUDBYCLT-INIZCTEOSA-N 308.385 3.214 10 50 DGCA CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=S 974874 BXNZOCAILBRXHJ-BENRWUELSA-N 308.453 3.278 10 50 DGCA O=C1NC(=S)S/C1=C\c1ccc(F)c(Br)c1 16384250 PZBCKNQSIWJKIE-YWEYNIOJSA-N 318.192 3.077 10 50 DGCA O=c1oc2c(CN3CCCCCC3)c(O)ccc2c2c1CCC2 122730 WRPQVMBSNBWZRS-UHFFFAOYSA-N 313.397 3.363 10 50 DGCA biogenic CN(C)c1ccc(/C=C/CN(CCO)Cc2ccccc2)cc1 214388 CVLYLTKTMXXSRX-RMKNXTFCSA-N 310.441 3.260 10 50 DGCA Cc1oc(-c2cc(F)cc(F)c2)nc1COc1cccnc1N 67786219 KUXGSEDCMWQDLB-UHFFFAOYSA-N 317.295 3.484 10 50 DGCA CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCC 408515185 AJKPALKEWTVRRM-UHFFFAOYSA-N 320.433 3.175 10 50 DGCA COc1ccc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1 23283277 KDZGFWJZLNTLNB-HXUWFJFHSA-N 322.452 3.375 10 50 DGCA Cc1cccc(CN2CCN(Cc3cccc(C)c3O)CC2)c1 63882427 TZFQKODDHLQFQH-UHFFFAOYSA-N 310.441 3.327 10 50 DGCA O=C1c2c(O)ccc(O)c2C(=O)c2c(Cl)ccc(Cl)c21 4031815 MEHLXACDLXEVBE-UHFFFAOYSA-N 309.104 3.180 10 50 DGCA CC[C@]12C[C@H]1CN(C1CCN(c3ccc(OC)cc3)CC1)C2 1772818452 FMRANJXQXBOIOK-HNAYVOBHSA-N 300.446 3.396 10 50 DGCA O=c1c(-c2cnn(-c3ccccc3)c2)coc2c(O)c(O)ccc12 4755915 TVWUDTBVVQIHCD-UHFFFAOYSA-N 320.304 3.057 10 50 DGCA CC(=O)c1c(C)oc2c3c(c(O)cc12)C(=O)c1ccccc1C3=O 4996165 SIYGZXCMOLFZEO-UHFFFAOYSA-N 320.300 3.425 10 50 DGCA Cn1c(-c2ccccc2)cnc1SCc1csc(N)n1 5898527 XNACIITYGJJNAJ-UHFFFAOYSA-N 302.428 3.418 10 50 DGCA CN1C=CC=C/C1=C1\SC(=S)N(c2ccccc2)C1=O 100269055 JOTYPKOPOQNMCZ-OUKQBFOZSA-N 300.408 3.278 10 50 DGCA COc1ccccc1N[C@H]1SC(=O)N(c2ccccc2)C1=O 1319043 UYJZERPHRDDPCH-AWEZNQCLSA-N 314.366 3.333 10 50 DGCA CCc1cc(=O)oc2cc(C)c(CN3CCCCC3)c(O)c12 5025786 DPVJOADKPAHYPA-UHFFFAOYSA-N 301.386 3.355 10 50 DGCA CCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12 5047128 GTTHEKSDBORJDR-UHFFFAOYSA-N 301.386 3.355 10 50 DGCA COc1ccc(N2CCN(C(=O)c3sccc3C)CC2)cc1 372393 NTCMHNCEGHZZRE-UHFFFAOYSA-N 316.426 3.028 10 50 DGCA Oc1ccc(Cl)cc1CN1CCN(c2ccccc2)CC1 55292389 CSUPHFZZCVUASD-UHFFFAOYSA-N 302.805 3.368 10 50 DGCA C[C@@H](O)CNCc1cc(-c2nc3ccccc3s2)ccc1O 821336587 HHKGYZNWBKIKIQ-LLVKDONJSA-N 314.410 3.139 10 50 DGCA CN(C)c1ccc([C@H]2C=C(c3ccccc3)N=C3NN=NN32)cc1 1826685 SOWOKGYQZLNNFI-QGZVFWFLSA-N 318.384 3.392 10 50 DGCA CCC(=O)N1N=C(c2cccc(OC)c2O)C[C@H]1c1ccco1 170615254 QWXLAMLZYYLVBC-ZDUSSCGKSA-N 314.341 3.082 10 50 DGCA Cc1cnc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)cn1 952970274 UGQGYGXCHMBQAN-UHFFFAOYSA-N 322.456 3.032 10 50 DGCA CC(=O)NC1=NC(=O)/C(=C\c2ccc(Cl)c(Cl)c2)S1 6195693 AMDLSARQEFZWIX-BJMVGYQFSA-N 315.181 3.100 10 50 DGCA COc1cccc(CN2CCCC[C@@H]2CCn2ccnc2)c1O 65409275 SZFSFQKGZQFXGR-MRXNPFEDSA-N 315.417 3.042 10 50 DGCA CCN1C(=O)/C(=C\C=C\c2cccc([N+](=O)[O-])c2)SC1=S 15011534 UWQRIYAMLGNOLK-RZYXTZOYSA-N 320.395 3.372 10 50 DGCA O=C1[C@H]2CCC[C@H]1[C@@H](c1ccccc1O)N[C@@H]2c1ccccc1O 150283381 VPRRXGCLWRHPQO-ILRDRHFLSA-N 323.392 3.469 10 50 DGCA Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c(C)c1 6701907 WZLLWZGAQLZUGQ-RBUKOAKNSA-N 313.397 3.206 10 50 DGCA CC1(C)[C@H](NCCCSc2nccs2)[C@H]2CCCO[C@H]21 230209630 VSZQJSXMWMNDNE-JHJVBQTASA-N 312.504 3.419 10 50 DGCA CN(C)c1ccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1 117719 RWOOVKSVZABWRU-MSOLQXFVSA-N 319.412 3.490 10 50 DGCA C/C=C/C(=O)N1CCc2c(c3ccc(Cl)c(F)c3n2C)C1 1875290321 RWEBBBVUEBAXQB-ONEGZZNKSA-N 306.768 3.432 10 50 DGCA CC(C)C(=O)N[C@@H](c1ccco1)c1ccc2cccnc2c1O 446434 PBZYAPZLINAHET-MRXNPFEDSA-N 310.353 3.395 10 50 DGCA COCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S 4785058 OMFGTXMEHVQZOS-XFXZXTDPSA-N 311.403 3.063 10 50 DGCA CN(C)c1ccc(C2=C[C@H](c3cccs3)n3ncnc3N2)cc1 100707919 WBFXMVRSUNXLKX-OAHLLOKOSA-N 323.425 3.462 10 50 DGCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\C=C\c1ccco1 22239178 NAHMJGVTAFLHKN-HYLYESJESA-N 322.320 3.340 10 50 DGCA O=C1c2ccccc2C(=O)c2c(NC[C@@H]3CCCO3)cccc21 4123391 SZFUCSWDXKVOMI-LBPRGKRZSA-N 307.349 3.053 10 50 DGCA COc1ccccc1N1CC[C@@H](Sc2nccs2)C1=O 121814160 QWQDMTGHCYTDMT-GFCCVEGCSA-N 306.412 3.049 10 50 DGCA O=C1/C(=C\c2cccnc2)SC(=S)N1Cc1ccccc1 4477986 DXMWQZVXILYEDI-NTEUORMPSA-N 312.419 3.483 10 50 DGCA O=C1c2ccccc2-c2nnc(-c3ccc4c(c3)OCO4)cc21 46946 MXPMYZHTRWAMQI-UHFFFAOYSA-N 302.289 3.084 10 50 DGCA CC[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1O 156379524 AKSOBNMHDXITFI-WBVHZDCISA-N 316.445 3.224 10 50 DGCA CN(C)c1ccc([C@H]2NC[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 19584921 WSWBHMYQXHYXQX-SJORKVTESA-N 313.357 3.021 10 50 DGCA CCOc1ccccc1N1CCN(Cc2ccccc2O)CC1 23281654 ALCOILSJRAMDPS-UHFFFAOYSA-N 312.413 3.113 10 50 DGCA CN(C)c1ccc2c(c1)OCCN2Cc1cc2cnccc2[nH]1 2325794719 OMYNIRARJSBZJC-UHFFFAOYSA-N 308.385 3.028 10 50 DGCA CCN1/C(=C2\SC(=S)N(C)C2=O)Sc2ccccc21 1233130 GBCXHZYPYAJUAM-ZRDIBKRKSA-N 308.453 3.278 10 50 DGCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 12504558 JRISRDBHOMHYBY-XFXZXTDPSA-N 321.423 3.061 10 50 DGCA Cc1ccc(/C=C2\SC(=S)N(CN3CCCC3)C2=O)cc1 20506507 NGJMSJWTHLBAHC-UVTDQMKNSA-N 318.467 3.250 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100210659 BYBIBYBLMSEYRI-HEWTWTGNSA-N 323.312 3.470 10 50 DGCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(O)cc1 15930675 HQZYBFGGOJSYIE-YBEGLDIGSA-N 311.316 3.250 10 50 DGCA CNC(=O)CN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 916567689 MVKSGXZJFAKMEP-UHFFFAOYSA-N 320.477 3.165 10 50 DGCA COc1ccccc1[C@@H]1CC(c2cc(Cl)ccc2O)=NN1 462412 JWFLLVHSWBGEKX-ZDUSSCGKSA-N 302.761 3.493 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1 101229110 RCYTWTBFGNSMQC-MJWGMMHASA-N 322.324 3.260 10 50 DGCA COc1cccc(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)c1O 170615219 MGAGUKBJLBAQRZ-CYBMUJFWSA-N 316.382 3.160 10 50 DGCA CCN1C(=O)C(=CC=Cc2ccc(OC)cc2)SC1=S 2053541958 AYIXBONFEYZKDO-UHFFFAOYSA-N 305.424 3.473 10 50 DGCA CC(C)(C)c1ccc(CN2C[C@H](C(=O)O)C(C)(C)C2)c(O)c1 2325792749 KGWYQJZONRDFIZ-CQSZACIVSA-N 305.418 3.232 10 50 DGCA CCOc1ccccc1N/C=C1/Sc2scc(C)[n+]2C1=O 102308786 KPSWZDYHMVNDQV-UHFFFAOYSA-O 319.431 3.442 10 50 DGCA CC[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccccc1O 156843462 RNBMPNMBJZALBS-GFCCVEGCSA-N 313.323 3.385 10 50 DGCA Cc1n[nH]cc1CN(C)C(=O)c1cc(C)n(-c2ccccc2)c1C 952975328 PKUJMFDVYMVXFH-UHFFFAOYSA-N 322.412 3.398 10 50 DGCA Oc1ccc(Br)cc1CNc1ccc2c(c1)OCO2 32307 BZEJRAMJXJSULD-UHFFFAOYSA-N 322.158 3.496 10 50 DGCA COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccc2ccccc12 313668 WZVXOEVGGUGJPW-WJDWOHSUSA-N 307.349 3.142 10 50 DGCA Cc1cccc(-c2noc(CN(C)Cc3ccccc3O)n2)c1 55386126 NIQVRJAZFWAAST-UHFFFAOYSA-N 309.369 3.383 10 50 DGCA COc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1 430757 BXPTZZGKQPJVKR-ATVHPVEESA-N 322.364 3.106 10 50 DGCA Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCCC1)CCCC3 44849 GWYZFRQHZWOPFX-UHFFFAOYSA-N 313.397 3.282 10 50 DGCA CC(=O)Nc1cc(Cn2cccc2)c(O)c(Cn2cccc2)c1 393402 ZSDXZOUTGJXBPG-UHFFFAOYSA-N 309.369 3.050 10 50 DGCA COc1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)cc1OC 12382452 BKVGWYJGJFBGTG-MDWZMJQESA-N 323.439 3.313 10 50 DGCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\N1CCCCC1 16160627 IJNXCNYUQLOZAR-PTNGSMBKSA-N 303.793 3.432 10 50 DGCA COCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 2677652 NBULJABZRPCUIX-GKPGWJKISA-N 305.424 3.090 10 50 DGCA O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cccc(O)c1O 193018603 CVRGBRJXQNUTKL-KRWDZBQOSA-N 320.348 3.012 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1[N+](=O)[O-] 12413069 QODCXZVHQBEILU-HEWTWTGNSA-N 323.312 3.470 10 50 DGCA Oc1ccccc1CN1CC[C@@]2(CCCN(CC3CC3)C2)C1 12712225 WAUVQLFFWAWTGG-LJQANCHMSA-N 300.446 3.090 10 50 DGCA O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1 4006310 KFPBEVFQCXRYIR-UHFFFAOYSA-N 318.181 3.500 10 50 DGCA CN(C)CCN(Cc1ccsc1)Cc1cccc(F)c1O 55107460 ABJWCTQMZJJCEK-UHFFFAOYSA-N 308.422 3.157 10 50 DGCA COc1ccccc1-n1ccnc1-c1ccc(O)c(CN(C)C)c1 71763220 SYMDLNQTGPSUPN-UHFFFAOYSA-N 323.396 3.315 10 50 DGCA O=C1N=C(NC2CCCC2)S/C1=C/c1ccc([N+](=O)[O-])cc1 208250704 ZQGHLHIYOWIVRJ-UKTHLTGXSA-N 317.370 3.097 10 50 DGCA CC[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1O 157337198 ZZBZZZVYEQJHST-CQSZACIVSA-N 312.369 3.311 10 50 DGCA Fc1cc(CN2CCC[C@H]3CCC[C@H]32)ccc1N1CCOCC1 769101359 DLDFXIVSLVDDEZ-SJLPKXTDSA-N 318.436 3.427 10 50 DGCA CC[C@H]1C=CCN1C1CCN(c2ccc3c(c2)OCO3)CC1 952973694 HNUBVUWOGCQJMF-AWEZNQCLSA-N 300.402 3.035 10 50 DGCA COc1cccc(CN(C)C2CC(C)(C)NC(C)(C)C2)c1O 65374355 NAAGOUVJWGYRJW-UHFFFAOYSA-N 306.450 3.142 10 50 DGCA O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc(F)c(F)c1 215720 LNZXHVNOZDJDEO-UHFFFAOYSA-N 323.295 3.021 10 50 DGCA Cc1ccccc1C1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)O1 4696546 AAYQMMAZEMDYGI-ATVHPVEESA-N 306.365 3.406 10 50 DGCA COc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 13671215 GURYIGQRTRSJJK-UHFFFAOYSA-N 310.397 3.225 10 50 DGCA Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c1C 6704015 ZWDPIAYAFAOSOD-RBUKOAKNSA-N 313.397 3.206 10 50 DGCA Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)cc1Cl 1256126138 SOVDRYSBMDJRKS-UHFFFAOYSA-N 311.790 3.463 10 50 DGCA Cc1cccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)c1 72140001 GCYNKYBBRDDUJM-UHFFFAOYSA-N 324.424 3.290 10 50 DGCA CCOC(=O)c1ccc(NCc2cccc(OC)c2O)cc1 397780 AKLDMPJWTKQAKF-UHFFFAOYSA-N 301.342 3.190 10 50 DGCA CC1=NN(c2cccc(F)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 13476943 GQOUHSFASJQNOH-CHHVJCJISA-N 324.311 3.361 10 50 DGCA O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(F)cc1 189835 YSGRDPNYGMQUTB-UHFFFAOYSA-N 317.341 3.485 10 50 DGCA CC[C@@H](NCc1cccnc1-n1cccn1)c1ccccc1O 155084747 BPNBZVOUDBYCLT-MRXNPFEDSA-N 308.385 3.214 10 50 DGCA COCCCn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1 3612595 MZAMWCCFJGTBCV-UHFFFAOYSA-N 317.385 3.217 10 50 DGCA CCCC1=NN2C(=N)/C(=C/c3ccccc3C)C(=O)N=C2S1 54169 XJIZTJBRIRJDSK-VOBDGNOHSA-N 312.398 3.414 10 50 DGCA C[C@@H](CCc1cccc(F)c1)NC(=O)Cc1ccc(N)cc1 170677720 ANDGKGBQBGYVEQ-ZDUSSCGKSA-N 300.377 3.088 10 50 DGCA Cc1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 28046806 WCYIZYGIFIVMBZ-UHFFFAOYSA-N 324.424 3.290 10 50 DGCA COc1ccc([C@@H](NC(C)=O)c2ccc3cccnc3c2O)cc1 102615 XZXZWEGKYGICGQ-QGZVFWFLSA-N 322.364 3.175 10 50 DGCA O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1c1ccccc1 4974101 XHXNAYCSDZSDIZ-NTEUORMPSA-N 313.334 3.339 10 50 DGCA CC1CCN(Cc2c(O)ccc3c4c(c(=O)oc23)CCC4)CC1 122723 ZWMORVYYZYZFDG-UHFFFAOYSA-N 313.397 3.219 10 50 DGCA CCNc1cc(-c2nc(-c3ccc(O)c(O)c3)cs2)ccn1 328596169 VUDZVFZFARMFPD-UHFFFAOYSA-N 313.382 3.715 10 50 DGCA O=C1NN=C(C(F)(F)F)C1=CNc1cccc(C(F)(F)F)c1 2039908474 XZROVUWDELEQKG-UHFFFAOYSA-N 323.196 3.049 10 50 DGCA C[C@H](O)CNCc1cc(-c2nc3ccccc3s2)ccc1O 821336588 HHKGYZNWBKIKIQ-NSHDSACASA-N 314.410 3.139 10 50 DGCA c1csc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)c1 952986456 FWURJRKPITUFEG-UHFFFAOYSA-N 316.426 3.235 10 50 DGCA CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 4687962 ABBSYEVTZRYOEH-GXDHUFHOSA-N 320.389 3.482 10 50 DGCA O=C(NCc1c(O)cccc1F)Nc1cccc(C2CC2)n1 931554905 RFNFPGYNQNQVAE-UHFFFAOYSA-N 301.321 3.125 10 50 DGCA O=C(O)c1cc(O)ccc1NC(=O)c1cccc2ccccc12 508121 YHRXTORCSWOEDW-UHFFFAOYSA-N 307.305 3.496 10 50 DGCA COc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1 355745 QHDOKQAIOOGUEU-UHFFFAOYSA-N 311.385 3.049 10 50 DGCA CN(C)c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 55543144 HRBYMTHMQBBDAV-UHFFFAOYSA-N 313.420 3.214 10 50 DGCA Cc1ccc(C)c(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c1 2172641 GFCDDMGBIWLLGB-RBUKOAKNSA-N 313.397 3.206 10 50 DGCA Clc1ccc(CN2COc3cc4c(cc3C2)OCO4)cc1 54991667 NZWWJZXAORTNOF-UHFFFAOYSA-N 303.745 3.421 10 50 DGCA CC[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1O 157337060 ZZBZZZVYEQJHST-AWEZNQCLSA-N 312.369 3.311 10 50 DGCA O=C(N[C@H](c1ccccc1)c1cccnc1)c1cccc(O)c1O 193018615 CVRGBRJXQNUTKL-QGZVFWFLSA-N 320.348 3.012 10 50 DGCA CCN(CC)c1ccc(/C=C2/N=C(c3ccccc3)NC2=O)cc1 5686329 WGWSSESAEJNPDP-NBVRZTHBSA-N 319.408 3.450 10 50 DGCA O=C1N=C(N2CCCCCC2)S/C1=C\c1ccccc1O 13547672 DHDPQLHDIHKBLD-KAMYIIQDSA-N 302.399 3.239 10 50 DGCA CCCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 169296608 VDXRBMQGNOBXBK-IOASZLSFSA-N 315.369 3.182 10 50 DGCA COc1ccc(N2CCN(C(=O)c3csc(C)c3)CC2)cc1 13331787 CWCNODYBAXQWIL-UHFFFAOYSA-N 316.426 3.028 10 50 DGCA CC/C=C(\C)C(=O)NCc1ccc(N2CCSCC2)cc1 195389156 UOWNQCKHWVJDCP-LNKIKWGQSA-N 304.459 3.212 10 50 DGCA COc1cccc([C@@H](NC(C)=O)c2ccc3cccnc3c2O)c1 4949808 XNISVWUYQDHGJO-QGZVFWFLSA-N 322.364 3.175 10 50 DGCA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CC1 100095212 ZWGQWKNIGRXKOK-ZROIWOOFSA-N 312.398 3.045 10 50 DGCA CCN(CC)c1ccc(/C=C2/SC(=S)N(C)C2=O)c(O)c1 1201954 VDSIKCVOFQEJEC-MDWZMJQESA-N 322.455 3.069 10 50 DGCA COc1ccc(N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 23283279 KDZGFWJZLNTLNB-FQEVSTJZSA-N 322.452 3.375 10 50 DGCA COC(=O)c1ccc(/N=N\Nc2ccc(C(=O)OC)cc2)cc1 18102054 DFOAQDYVNHMJTD-UHFFFAOYSA-N 313.313 3.371 10 50 DGCA COc1ccc(O)c([C@@H](C)NCc2cc(C(=N)O)cs2)c1 328595644 ZUOZTGSHZGXQGV-SECBINFHSA-N 306.387 3.196 10 50 DGCA COc1ccc(N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)cc1 496704 OZQHWOADWWTDRK-UHFFFAOYSA-N 324.424 3.274 10 50 DGCA O=C1NN(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1Cl 4456075 VVZJFICTTKPNCK-XWDZFIQBSA-N 324.767 3.358 10 50 DGCA C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ncnc21 169794260 AVMLPTWVYQXRSV-UHFFFAOYSA-N 315.453 3.134 10 50 DGCA in-vitro CCOC(=O)CC1(Cc2ccccc2)C(=O)c2ccccc2C1=O 22064291 RUNYSSVPKGBGIA-UHFFFAOYSA-N 322.360 3.248 10 50 DGCA CCOc1cccc(CN2CCN(c3ccccc3)CC2)c1O 55292238 PDMOZHJPQUDNLC-UHFFFAOYSA-N 312.413 3.113 10 50 DGCA CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 13343660 HMBZKKVQUCQJPG-GHXNOFRVSA-N 321.423 3.096 10 50 DGCA Cc1c(C)c2cc(CN3CCCCC3)c(O)c(C)c2oc1=O 2129833 NQZFQIHZLQBPTI-UHFFFAOYSA-N 301.386 3.410 10 50 DGCA biogenic OC1CCN(c2ccc(CNC[C@H]3CC=CCC3)cc2F)CC1 238154872 CMFLNJXFHMEPMM-HNNXBMFYSA-N 318.436 3.233 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C\N(O)Cc1ccccc1 32609513 HHOCYUXQKOMOKB-LGMDPLHJSA-N 307.353 3.184 10 50 DGCA CN(C)c1ccc(/C=C2/N=C(S)N(c3ccccc3)C2=O)cc1 349416 ANHDDOVYDLLMCS-FOWTUZBSSA-N 323.421 3.426 10 50 DGCA O=C1N=C(N2CCCCCC2)S/C1=C\c1cccc(O)c1 13785112 UYABNJFPDIFPKF-KAMYIIQDSA-N 302.399 3.239 10 50 DGCA CCOC(=O)c1sc2nc3ccc(OC)cc3cc2c1N 422049 UOXTWRFFWANDNP-UHFFFAOYSA-N 302.355 3.217 10 50 DGCA COc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 293920 UUQLHRNUJXFYNT-UHFFFAOYSA-N 312.413 3.026 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 13552520 AJCWYSIQACYBRY-PTNGSMBKSA-N 307.309 3.401 10 50 DGCA Oc1ccc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)cc1O 65739942 VJMXXTJAPJRAQL-BBRMVZONSA-N 317.360 3.009 10 50 DGCA in-vitro CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnsc1 1875300988 ZGKAHEQLTRGSNK-UHFFFAOYSA-N 301.415 3.016 10 50 DGCA O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]1c1ccc2ccccc2n1 100486863 JSMBZXCMSBIKGP-MRXNPFEDSA-N 318.288 3.306 10 50 DGCA Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(C)C1=O 15011263 HAEDDOGSJNGPBH-UVTDQMKNSA-N 318.467 3.426 10 50 DGCA Oc1ccc2c(oc3c(-c4cccnc4)c4cn[nH]c4nc32)c1O 218393137 UDAYOUVUGWLMDP-UHFFFAOYSA-N 318.292 3.331 10 50 DGCA COc1ccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1 808365 VBKPKINHNCHCIE-UHFFFAOYSA-N 324.424 3.274 10 50 DGCA COc1ccc(OC)c(C2=C/C(=C/c3cccnc3)C(=O)O2)c1 228826 YKYXFQMVPKJXAI-JYRVWZFOSA-N 309.321 3.080 10 50 DGCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(Cl)cc3)C2=O)cc1 4470926 IIKWAOUDVZUWCO-GDNBJRDFSA-N 312.756 3.110 10 50 DGCA C[C@H]1CCCCN1Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 122731 IQWSLDAYDMTCDC-LBPRGKRZSA-N 313.397 3.362 10 50 DGCA COc1ccc(O)c([C@@H](C)NCc2cccc(OC)c2F)c1 845971831 NGNDFLOWDCOWSV-LLVKDONJSA-N 305.349 3.399 10 50 DGCA CCOc1cccc(CN(Cc2cnn(C)c2)CC(C)C)c1O 55254633 ODDALRPCTKVVLR-UHFFFAOYSA-N 317.433 3.183 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cccc([N+](=O)[O-])c1 100663902 PZXOCQUAKJQUKL-HEWTWTGNSA-N 323.312 3.470 10 50 DGCA CC(C)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 966928 HMBZKKVQUCQJPG-KPKJPENVSA-N 321.423 3.096 10 50 DGCA [O-]/[N+](=N\OCCO/N=[N+](/[O-])c1ccccc1)c1ccccc1 2870983 OYWBYMKRBXFSOK-JRDMOELTSA-N 302.290 3.438 10 50 DGCA CC(C)CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 5497859 XPYYBTGJHGPTBV-KPKJPENVSA-N 322.411 3.452 10 50 DGCA Cc1cnc(CNC(=O)c2cc(C)n(-c3ccccc3)c2C)cn1 215378739 STQVVACHCVBOES-UHFFFAOYSA-N 320.396 3.123 10 50 DGCA COc1ccc(N2CCN(C(=S)c3ccccc3)CC2)cc1 1443323 QYLJUXBSRDMMRV-UHFFFAOYSA-N 312.438 3.193 10 50 DGCA Cc1nscc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1353911996 VPHWBDBRHBDEAB-UHFFFAOYSA-N 315.442 3.324 10 50 DGCA c1cnn(CCCNC2CCN(c3ccc4c(c3)CCC4)CC2)c1 1506396364 SBANIEVJFSABPI-UHFFFAOYSA-N 324.472 3.021 10 50 DGCA c1cc2c(cc1N1CCC(N3CCSCC3)CC1)CCC2 952972377 SLUNDLBPOUJDPS-UHFFFAOYSA-N 302.487 3.193 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@@H]1N=Nc1ccc([N+](=O)[O-])cc1 252428396 BYBIBYBLMSEYRI-OAHLLOKOSA-N 323.312 3.470 10 50 DGCA COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(C)C 16193002 SWONTRKZESPSSW-JYRVWZFOSA-N 323.439 3.313 10 50 DGCA Cc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1Cl 151877538 MUNQNZJTEYBEKR-UHFFFAOYSA-N 315.753 3.294 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O 100049347 JHMOLDMNRXZOMQ-MJWGMMHASA-N 322.324 3.260 10 50 DGCA O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccsc1 808113933 MWXPYHMGVRDQEK-UHFFFAOYSA-N 307.755 3.047 10 50 DGCA O=C1c2ccccc2C(=O)C1(O)Nc1cccc2ccccc12 3147879 ZWISZZKQGLTEEE-UHFFFAOYSA-N 303.317 3.020 10 50 DGCA CC(=O)c1c2c(n3ccc(C)cc13)C(=O)c1ccccc1C2=O 505987 CBHZWJCSNICLNL-UHFFFAOYSA-N 303.317 3.226 10 50 DGCA biogenic CN(C)CCn1ccc2ccc(-c3cnc4c(cnn4C)c3)cc21 2325796228 BUSHECUUKUWHLF-UHFFFAOYSA-N 319.412 3.152 10 50 DGCA O=C1/C(=C/c2ccccc2)SC(=S)N1Cc1cccnc1 1167456 HTAUTYCWBNMDEY-ZROIWOOFSA-N 312.419 3.483 10 50 DGCA Cc1ccc(O)c(CN2CC[C@@H](c3sccc3C)[C@H](O)C2)c1 65375885 RSRNZZIQICYYGC-NVXWUHKLSA-N 317.454 3.421 10 50 DGCA Cc1n[nH]c(C)c1CNC1CCN(c2ccc3c(c2)CCC3)CC1 825109520 XZVAQVKVHJUOFC-UHFFFAOYSA-N 324.472 3.274 10 50 DGCA Cc1ccc(C)c(NC=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c1 92217 IUCRRHRVQFVFAY-UHFFFAOYSA-N 317.385 3.462 10 50 DGCA COc1cc(CCNCc2ccccc2O)c(OC)cc1Cl 299817326 VHWXICYYQMMZCW-UHFFFAOYSA-N 321.804 3.395 10 50 DGCA in-vitro COc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 71930761 CRJJXHKBVLJRSW-UHFFFAOYSA-N 321.424 3.499 10 50 DGCA Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2)cc1 65380 KXTIBZHFVPHOLT-UHFFFAOYSA-N 311.790 3.463 10 50 DGCA COc1ccc(N2CCN(C(=O)c3ccc(C)s3)CC2)cc1 5392538 OFUCQMQTKARSGC-UHFFFAOYSA-N 316.426 3.028 10 50 DGCA Cc1cc(C=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5101835 SXSFLAZCMCLLEC-UHFFFAOYSA-N 313.357 3.415 10 50 DGCA COc1cccc(CN2CCC[C@@](CO)(CC(C)C)C2)c1O 65394285 ALBSJSQJPSRBKQ-GOSISDBHSA-N 307.434 3.021 10 50 DGCA CC[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1O 156379650 AKSOBNMHDXITFI-NVXWUHKLSA-N 316.445 3.224 10 50 DGCA O=C(O)c1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CC2 1602421992 QIBSCGGGCDGFMD-UHFFFAOYSA-N 317.772 3.302 10 50 DGCA O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc([N+](=O)[O-])o1 4917901 KFMJDHJYBJDNGN-JXMROGBWSA-N 301.229 3.308 10 50 DGCA Cc1cc(C)cc(OC(=O)[C@@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)c1 1805584 ZRFLTMORMHZORC-RBUKOAKNSA-N 314.381 3.173 10 50 DGCA CC(C)C1=NN2C(=N)/C(=C/c3cccs3)C(=O)N=C2S1 4464036 FJTVUQCYTKWYBK-OAOWJTDASA-N 304.400 3.023 10 50 DGCA CCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S 1162688 IBHFPZLMCJWCFU-JYRVWZFOSA-N 323.439 3.315 10 50 DGCA [N-]=[N+]=NCc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn12 409444221 PHCZKLWNCAZGPB-UHFFFAOYSA-N 318.300 3.257 10 50 DGCA CC(=O)N[C@H](c1ccccc1C)c1ccc2cccnc2c1O 102688 RUBRUMZZKQZOAC-GOSISDBHSA-N 306.365 3.474 10 50 DGCA CCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OCC 16213065 FSEVEMAHKDIDRY-LCYFTJDESA-N 323.439 3.315 10 50 DGCA COc1ccc(CNCc2ccc(OC)c(OC)c2)cc1C 110901 FGUUTSPUVADYBR-UHFFFAOYSA-N 301.386 3.311 10 50 DGCA biogenic COc1cccc(CNc2ncc(Br)cc2C)c1O 20432434 RJTZOEADNWAFNJ-UHFFFAOYSA-N 323.190 3.479 10 50 DGCA O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccs1 73745 PGMYLDPZRWWFCZ-UHFFFAOYSA-N 305.380 3.408 10 50 DGCA CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=S 1133854 PPRAOHXHGONCEG-RAXLEYEMSA-N 304.440 3.118 10 50 DGCA CCN(CC)c1ccc(CN2CCN(c3ccccn3)CC2)cc1 757157 AOTSWIJRSZRTPW-UHFFFAOYSA-N 324.472 3.250 10 50 DGCA O=C(O)CCc1ccc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 2886288 HBTVQKCDNKPOJC-INIZCTEOSA-N 317.360 3.490 10 50 DGCA Cc1cc(O)c(/C=C2/SC(=S)N(C)C2=O)c(C)c1Cl 1152083 GSFJGVKXBILFNU-BJMVGYQFSA-N 313.831 3.493 10 50 DGCA COc1ccc([C@H](NC(C)=O)c2ccc3cccnc3c2O)cc1 102609 XZXZWEGKYGICGQ-KRWDZBQOSA-N 322.364 3.175 10 50 DGCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1O 15930497 LIFPSULRQAWLDN-UVTDQMKNSA-N 311.316 3.250 10 50 DGCA CN(C)c1ccc(C2=C[C@@H](c3cccs3)n3ncnc3N2)cc1 100707922 WBFXMVRSUNXLKX-HNNXBMFYSA-N 323.425 3.462 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cccc([N+](=O)[O-])c1 100663901 PZXOCQUAKJQUKL-ZDBRSUKYSA-N 323.312 3.470 10 50 DGCA CC(C)(C)OC(=O)N1CCC2(CC[C@H](CN=[N+]=[N-])NC2)CC1 616568631 LDLLPFZOXXLLDF-GFCCVEGCSA-N 309.414 3.066 10 50 DGCA Cc1cc(CN(C)Cc2nccn2C)ccc1N1CCCCC1 408519721 USERVEBMKIDABR-UHFFFAOYSA-N 312.461 3.351 10 50 DGCA CC1(C)[C@H](NCCCSc2nccs2)[C@@H]2CCCO[C@H]21 230209622 VSZQJSXMWMNDNE-YNEHKIRRSA-N 312.504 3.419 10 50 DGCA O=C1N=C(NCc2ccccc2)S/C1=C/c1cccc(O)c1 5773484 ODSUGXAMPGGJFT-XNTDXEJSSA-N 310.378 3.152 10 50 DGCA Cc1cc2oc(=O)cc(C)c2c(O)c1CN1CCC[C@H](C)C1 20412200 KTOWABLTUGFCRB-NSHDSACASA-N 301.386 3.347 10 50 DGCA biogenic Oc1ccc(F)cc1[C@H](Nn1cnnc1)c1ccccc1Cl 22018989 BFFYVOYQNVGSFS-OAHLLOKOSA-N 318.739 3.109 10 50 DGCA Oc1nncc(N2CC=C(c3ccc(Cl)nc3)CC2)c1Cl 367396021 FVWIOSCWGFRKKS-UHFFFAOYSA-N 323.183 3.178 10 50 DGCA CCN1C(=O)/C(=C/c2ccc(OC)c(COC)c2)SC1=S 1015988 OYVAKSRTBULMGU-JYRVWZFOSA-N 323.439 3.063 10 50 DGCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C)cc1 13801710 YLNYJHHJZFODLD-YBEGLDIGSA-N 313.397 3.324 10 50 DGCA COc1ccc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)cc1 514788 NEESRTGBWTXKDG-UHFFFAOYSA-N 324.424 3.274 10 50 DGCA CCCN(Cc1ccccc1O)C(=O)c1cn(C(C)C)cn1 282894242 WKVROXWISBZFQH-UHFFFAOYSA-N 301.390 3.222 10 50 DGCA CCc1ccc2c(c1)[C@]1(NN=C(c3ccccc3)S1)C(=O)N2 3150673 ICJWVAKZQXYHBB-QGZVFWFLSA-N 309.394 3.052 10 50 DGCA COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)c(OC)c1 1123998 XEEMLNSWNBNJMK-QPEQYQDCSA-N 323.439 3.313 10 50 DGCA C[C@@H](O)CCN(Cc1cccs1)c1ccc2c(c1)OCCO2 241126101 JJNUYGYEQXGPDJ-CYBMUJFWSA-N 319.426 3.297 10 50 DGCA CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CN=[N+]=[N-])NC2)CC1 616568651 LDLLPFZOXXLLDF-LBPRGKRZSA-N 309.414 3.066 10 50 DGCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccs1 75186 KUZDXPQUGYJHOJ-JYRVWZFOSA-N 305.399 3.077 10 50 DGCA CN(C)Cc1c(O)ccc2occ(C(=O)c3cccs3)c12 19638099 PGSBCVFHBPAEHA-UHFFFAOYSA-N 301.367 3.493 10 50 DGCA CCOC(=O)CC1(c2ccc(C)cc2)C(=O)c2ccccc2C1=O 298516 DFNUYQZPCICCBO-UHFFFAOYSA-N 322.360 3.265 10 50 DGCA COc1ccc(CNc2ccc(Br)cn2)c(O)c1 20235910 JCGFBCJPBRZPNN-UHFFFAOYSA-N 309.163 3.170 10 50 DGCA COc1ccc(N2CCN(Cc3ccc(F)cc3F)CC2)cc1 55544003 UMSBUPGLAIKFDD-UHFFFAOYSA-N 318.367 3.296 10 50 DGCA CCOc1ccccc1[C@H]1CC(c2ccccc2O)=NN1C(C)=O 4942477 XYVLHIIRNISDHS-QGZVFWFLSA-N 324.380 3.489 10 50 DGCA Cc1cc(O)c(CNC[C@](C)(O)c2ccc(F)cc2F)cc1C 170642682 KUGGPNNVZPTDTO-SFHVURJKSA-N 321.367 3.285 10 50 DGCA CCCN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S 1171720 DMSTZVRGVIAVFC-LCYFTJDESA-N 323.439 3.402 10 50 DGCA Cc1cc(F)ccc1NC(=O)c1cn(Cc2ccc(N)cc2)cn1 71775243 JAZNYHUGSMVQAA-UHFFFAOYSA-N 324.359 3.213 10 50 DGCA Cc1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)o1 408517078 UPEZZGQBLIUOHH-UHFFFAOYSA-N 313.401 3.212 10 50 DGCA CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1 12405014 IETWCRRCPURZOC-UHFFFAOYSA-N 305.359 3.415 10 50 DGCA O=C1c2ccccc2C(=O)C1c1ccc(Cl)c([N+](=O)[O-])c1 100709919 QCOCGUKXAKRULQ-UHFFFAOYSA-N 301.685 3.411 10 50 DGCA CC(C)(C)C1(C)OC(=O)C(=C/C=C/c2ccccc2)C(=O)O1 451353 BABDLIBXIGKHBE-HBWDKNAJSA-N 300.354 3.489 10 50 DGCA COc1ccccc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O 1319042 UYJZERPHRDDPCH-CQSZACIVSA-N 314.366 3.333 10 50 DGCA O=C1NN=C(C(F)(F)F)C1=CNc1cc(Cl)cc(Cl)c1 2041706296 NZZVCOUGVDIHBO-UHFFFAOYSA-N 324.089 3.337 10 50 DGCA COc1cc(CNCc2ccc(OC)c(C)c2)cc(OC)c1 172197 PQUSACOEBTUTAO-UHFFFAOYSA-N 301.386 3.311 10 50 DGCA biogenic O=C(O)c1cc2ccccc2c2c1C(=O)c1ccccc1C2=O 45068497 UTYADSAEFTYJEC-UHFFFAOYSA-N 302.285 3.313 10 50 DGCA Cc1ccccc1N1CCN(Cc2ccc(N(C)C)cc2)CC1 55543534 OJLSQFRWOOYPPW-UHFFFAOYSA-N 309.457 3.383 10 50 DGCA CCc1cn[nH]c1[C@@H]1CCCN(Cc2c(O)cccc2OC)C1 12150389 VAYAGHAWCAMHOV-CQSZACIVSA-N 315.417 3.066 10 50 DGCA CC[C@]12C[C@@H]1CN(C1CCN(c3ccc(OC)cc3)CC1)C2 1772818451 FMRANJXQXBOIOK-DNVCBOLYSA-N 300.446 3.396 10 50 DGCA COC(=O)c1ccc(O)c(CN[C@H](C)c2cc(C)oc2C)c1 1776006778 VKBCSUTVFHTASV-LLVKDONJSA-N 303.358 3.239 10 50 DGCA O=C1/C(=C/c2cccnc2)SC(=S)N1Cc1ccco1 37865596 RCSBRBMXPZDRNQ-GHXNOFRVSA-N 302.380 3.076 10 50 DGCA in-vitro COc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 100363643 HZKAOHDHAIGURD-SFQUDFHCSA-N 307.353 3.414 10 50 DGCA CCC(=O)N1N=C(c2ccc(OC)cc2O)C[C@H]1c1ccco1 242302284 YRCCUKWGILCORD-AWEZNQCLSA-N 314.341 3.082 10 50 DGCA CCN(CC)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 15685191 GDJXAZGHZPGEEF-RAXLEYEMSA-N 306.456 3.364 10 50 DGCA Cc1ccccc1CN(CCN(C)C)Cc1cccc(F)c1O 55197285 MWVNTUVXKIPWOP-UHFFFAOYSA-N 316.420 3.404 10 50 DGCA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 380166 IKOGGLYESDINJP-UHFFFAOYSA-N 305.399 3.491 10 50 DGCA Cc1ncn(CCNC(=O)c2c(C)c3cccc(C)c3n2C)c1C 426538422 RGJVUJMDKKONGX-UHFFFAOYSA-N 324.428 3.038 10 50 DGCA Cc1ccc(-c2nnc3n2N=C(c2ccccc2O)CS3)cc1 9288417 SAJRXYLQJCYBAF-UHFFFAOYSA-N 322.393 3.317 10 50 DGCA COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)Nc2ccccc21 1402214 BVSAPTRTFYFFOR-GXDHUFHOSA-N 318.332 3.447 10 50 DGCA CN(C)c1ccc([C@@H]2C=C(c3ccccc3)NC(=S)N2)cc1 3878797 JONMBHQOVJEWSL-KRWDZBQOSA-N 309.438 3.313 10 50 DGCA O=C1/C(=C\c2ccncc2)SC(=S)N1Cc1ccccc1 4477985 DTCONVUMFNKVFF-GXDHUFHOSA-N 312.419 3.483 10 50 DGCA CCOC(=O)C1CCN(Cc2c(O)ccc3ccccc23)CC1 68877 LHSFABKSUGCJKP-UHFFFAOYSA-N 313.397 3.321 10 50 DGCA CC(C)(C)OC(=O)N1CCC(CNc2ccc(N)cc2)CC1 36075393 JROBTSJMSGLWKV-UHFFFAOYSA-N 305.422 3.328 10 50 DGCA in-vitro Cc1cc(O)c(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1C 170642684 KUGGPNNVZPTDTO-GOSISDBHSA-N 321.367 3.285 10 50 DGCA COc1cc2c(cc1OC)[C@H](c1cc(Cl)ccc1O)NCC2 19831527 GEOZDSWKUCIYRL-QGZVFWFLSA-N 319.788 3.298 10 50 DGCA CN(Cc1ccccc1)Cc1cc(-c2ncccn2)ccc1O 14995895 DAUWTWRCAHQNAV-UHFFFAOYSA-N 305.381 3.481 10 50 DGCA O=C1N=C(c2ccccc2)S/C1=C\c1ccc2c(c1)OCO2 199235 TYQVKYWUAIBXOD-DHDCSXOGSA-N 309.346 3.476 10 50 DGCA COc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1 1221196 BINKAUVDFGACPZ-MDWZMJQESA-N 317.391 3.444 10 50 DGCA Cc1cc(/C=C2/C(=O)NC(=O)N=C2O)c(C)n1C1CCCCC1 2936068 NIEXVSTZYHFUHZ-UHFFFAOYSA-N 315.373 3.200 10 50 DGCA COc1cccc(CN2CCCC[C@H]2CCn2ccnc2)c1O 65409276 SZFSFQKGZQFXGR-INIZCTEOSA-N 315.417 3.042 10 50 DGCA CCN(CC)CN1C(=O)/C(=C/c2ccccc2)SC1=S 334160815 MXDROEHSBVNPHM-RAXLEYEMSA-N 306.456 3.187 10 50 DGCA O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1Cc1ccco1 12436467 CYCRNJNZXCZOMF-MDWZMJQESA-N 317.391 3.387 10 50 DGCA Cc1[nH]nc(-c2ccc(O)c(O)c2O)c1Oc1ccc(F)cc1 390702 QKQXNSFFWGYFEB-UHFFFAOYSA-N 316.288 3.433 10 50 DGCA Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 49740528 JDLBUQWUWZSIFJ-UHFFFAOYSA-N 324.424 3.070 10 50 DGCA COc1ccc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C)cc1 13118976 AZESONXFMWKZCC-PDGQHHTCSA-N 306.365 3.497 10 50 DGCA CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](CC)N1 2325804370 IUMRTFZGZODSTE-CVEARBPZSA-N 304.434 3.052 10 50 DGCA O=C(O)CCCCCCCCCCN1C(=O)CSC1=S 3071912 MGCNAENFVLXBQT-UHFFFAOYSA-N 317.476 3.442 10 50 DGCA COc1cc(-c2nc(CN=[N+]=[N-])c(C)o2)cc(OC)c1OC 67172480 HWZVFASXJWQUEA-UHFFFAOYSA-N 304.306 3.486 10 50 DGCA CCc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1 71775347 RSOITTXJMIPBKZ-UHFFFAOYSA-N 320.396 3.328 10 50 DGCA CN1CCCc2cc(CNC(=O)NCC3(C)CCCC3)ccc21 170623267 TXQFOIAPNMFBPH-UHFFFAOYSA-N 315.461 3.449 10 50 DGCA O=[N+]([O-])c1ccc(O)c([C@@H]2NN=C(Cc3ccccc3)S2)c1 22034000 RSRDGDLMPJNMGU-OAHLLOKOSA-N 315.354 3.192 10 50 DGCA O=C1/C(=C/c2cccs2)C(O)=NC(=S)N1c1ccccc1 1304987 WEWZBFFNDBYMJO-FMIVXFBMSA-N 314.391 3.420 10 50 DGCA COc1ccccc1/C=C1\SC(N2CCCCC2)=NC1=O 13774808 OVANXGDAIRYADW-KAMYIIQDSA-N 302.399 3.151 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1 100210651 BYBIBYBLMSEYRI-ZDBRSUKYSA-N 323.312 3.470 10 50 DGCA CC(C)c1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc1 15659809 BWUVOAIVGRQVCZ-BOPFTXTBSA-N 324.355 3.411 10 50 DGCA CCOC(=O)c1sc2nc(C)cc(C(F)(F)F)c2c1N 58323 UOAZFMCXBSMKGZ-UHFFFAOYSA-N 304.293 3.382 10 50 DGCA CC(C)COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 169299094 OGONIROXPIPVDK-IOASZLSFSA-N 315.369 3.038 10 50 DGCA O=C(c1cc(O)cs1)N1CCCn2c(cc3ccccc32)C1 807888174 DRKDPWJKAMOLPD-UHFFFAOYSA-N 312.394 3.455 10 50 DGCA C[C@H](CO)CN(Cc1ccccc1)Cc1cc(F)ccc1O 55227103 OYVLERQZSNZIIT-AWEZNQCLSA-N 303.377 3.162 10 50 DGCA Cc1cc(=O)oc2c(CN(C)Cc3ccccc3)c(O)ccc12 37965 FDYJCKROLXALAM-UHFFFAOYSA-N 309.365 3.439 10 50 DGCA aggregator,biogenic CC[C@@]12C[C@@H]1CN(C1CCN(c3ccc(OC)cc3)CC1)C2 1772818450 FMRANJXQXBOIOK-BEFAXECRSA-N 300.446 3.396 10 50 DGCA CCOC(=O)[C@@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 4007745 HFGHBSYUGAGDJJ-QQOXCAACSA-N 316.445 3.041 10 50 DGCA CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1O 156092277 GIQPGCHGQCYAJH-JSGCOSHPSA-N 300.406 3.122 10 50 DGCA CCCC1=NN2C(=N)/C(=C/c3cccc(C)c3)C(=O)N=C2S1 107070 LYKIFEUUBVUFKO-VOBDGNOHSA-N 312.398 3.414 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C\NCCc1ccccc1 13497033 AQRUBAPSSKSDKQ-JXAWBTAJSA-N 305.381 3.125 10 50 DGCA CC(C)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1189861 VQHJLVXOYOBUFS-XFFZJAGNSA-N 308.384 3.204 10 50 DGCA COc1ccc(C2=C/C(=C3\OC(=O)c4ccccc43)C(=O)O2)cc1 15745793 UDXBPCPOTZWZGJ-BMRADRMJSA-N 320.300 3.175 10 50 DGCA CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 898159 TXDUTHBFYKGSAH-SFHVURJKSA-N 303.365 3.315 10 50 DGCA biogenic,in-vitro CN(C)c1ccc2sc(SCC(=O)NC(C)(C)C)nc2c1 1062626 PXBAQXIIJVXMLH-UHFFFAOYSA-N 323.487 3.369 10 50 DGCA Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)cc1O 92462 PEDDDCGNFUBLBY-UHFFFAOYSA-N 311.790 3.463 10 50 DGCA CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1 5966783 OZWXDWVFTIFZHS-CQSZACIVSA-N 303.789 3.371 10 50 DGCA in-vitro O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1c1ccc2ccccc2n1 109891809 CZYGDAJQGGDMPZ-MRXNPFEDSA-N 318.288 3.306 10 50 DGCA CCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 4832896 XDKURLITBMUJBQ-UKTHLTGXSA-N 323.439 3.402 10 50 DGCA CC[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccccc1O 156320686 OPMVXRSOKHXORQ-CZUORRHYSA-N 315.392 3.246 10 50 DGCA C[C@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)c1cnn(C)c1 584896956 XOKNZOIWSVMUHC-HNNXBMFYSA-N 324.472 3.228 10 50 DGCA CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccc(N)cc2)C1 36075388 GUAMKRWLEBSKSY-HNNXBMFYSA-N 319.449 3.006 10 50 DGCA in-vitro COc1cccc(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)c1 4942340 AKYXUIYZMIYDGR-QGZVFWFLSA-N 310.353 3.098 10 50 DGCA COc1ccc2c(c1)c(Cl)c1ccc([N+](=O)[O-])cc1[n+]2[O-] 44126203 DLMUSXCLSAVFGJ-UHFFFAOYSA-N 304.689 3.197 10 50 DGCA COc1ccc(C2=C/C(=C/c3ccccn3)C(=O)O2)c(OC)c1 275192 GCZJRXKVENLXIP-XFXZXTDPSA-N 309.321 3.080 10 50 DGCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C[C@H]1CCCO1 13370583 PDOGOEDPPLYLKG-YFBAIUBQSA-N 323.414 3.206 10 50 DGCA Cc1ccc(N2C(=O)CSC2=S)c(Br)c1 1151326 KBYDLRLTNBLZKF-UHFFFAOYSA-N 302.218 3.122 10 50 DGCA COc1cc(CN2CCc3cccc(F)c3C2)c(O)cc1C 768464621 DHXZPALWRFJFMG-UHFFFAOYSA-N 301.361 3.407 10 50 DGCA CCc1nnc(CN(C)c2ccc(-c3nccs3)cc2)o1 408523494 KMEFOTBLVRQFHE-UHFFFAOYSA-N 300.387 3.392 10 50 DGCA Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO 1557770 XDUXBBDRILEIEZ-LJQANCHMSA-N 310.349 3.220 10 50 DGCA biogenic,in-vitro Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(C)[nH]1 13535693 JFXBJLMVWRNWBR-NTEUORMPSA-N 309.325 3.138 10 50 DGCA CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 976669 GPYZUAGEWSHVQW-RAXLEYEMSA-N 306.456 3.364 10 50 DGCA Cc1c(O)c(CN2CCCC2)cc2c3c(c(=O)oc12)CCCC3 4077435 HHJYZGFVBHQGOK-UHFFFAOYSA-N 313.397 3.282 10 50 DGCA Cc1cccc(CN(CCN(C)C)Cc2ccsc2)c1O 55099285 MRQQTPNCDPVICS-UHFFFAOYSA-N 304.459 3.326 10 50 DGCA COCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 33406199 NBULJABZRPCUIX-BHHNFLQBSA-N 305.424 3.090 10 50 DGCA CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](CC)N1 2325804372 IUMRTFZGZODSTE-HZPDHXFCSA-N 304.434 3.052 10 50 DGCA Cn1c(/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 4844254 LDPJBIMAYVCUGN-ZHACJKMWSA-N 307.309 3.012 10 50 DGCA CN(C)c1ccc([C@H]2NC[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 19584917 WSWBHMYQXHYXQX-IRXDYDNUSA-N 313.357 3.021 10 50 DGCA CCn1cc(CN(Cc2cccc(OC)c2O)CC(C)C)cn1 55414500 BVZBYVPXBHFUSJ-UHFFFAOYSA-N 317.433 3.275 10 50 DGCA CC1CCN(C2=NC(=O)/C(=C/c3cccc(O)c3)S2)CC1 83874 UHHOLXFLPFNTAH-UVTDQMKNSA-N 302.399 3.094 10 50 DGCA COc1ccc(Cl)cc1NC(=S)NCc1ccccn1 8682722 ZHYPCAIURGMESQ-UHFFFAOYSA-N 307.806 3.230 10 50 DGCA Cc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)o1 16183957 BXUBDHGZWHUYOW-JYRVWZFOSA-N 316.744 3.011 10 50 DGCA COc1cccc(CNc2ccc(Br)cn2)c1O 18143384 MBFLQGFNMKURDL-UHFFFAOYSA-N 309.163 3.170 10 50 DGCA CCN1/C(=C2/SC(=S)N(C)C2=O)C=Cc2ccccc21 100199470 RYQNYAUXQNLOHI-OUKQBFOZSA-N 302.424 3.241 10 50 DGCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O 100049348 JHMOLDMNRXZOMQ-AMGRQBIBSA-N 322.324 3.260 10 50 DGCA CCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1157098 BBAVRTYDZDDHPY-WQLSENKSSA-N 309.412 3.012 10 50 DGCA Cc1ccc(N2NC(=O)/C(=C/C=C/c3ccccc3)C2=O)cc1C 16671095 KYKPWDBYAFAJCY-CVCOPPNTSA-N 318.376 3.321 10 50 DGCA O=C1NC(=S)S/C1=C/C=C/C=C/c1ccc([N+](=O)[O-])cc1 15134135 PEBPEACSBWBPRK-IPROBYBISA-N 318.379 3.196 10 50 DGCA CCc1nnc(CNc2ccccc2C(=O)c2ccccc2)o1 192588100 FMMNHNIKHZQSNP-UHFFFAOYSA-N 307.353 3.475 10 50 DGCA O=C1/C(=C\c2ccc[nH]2)SC(=S)N1Cc1ccccc1 4819661 NPPBOBDSBLDKFN-UKTHLTGXSA-N 300.408 3.416 10 50 DGCA COCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2834416 PELVLFZPIBMWOX-FLIBITNWSA-N 313.831 3.188 10 50 DGCA Cc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1 4601156 OHYANXFRLWWXKU-ATVHPVEESA-N 306.365 3.406 10 50 DGCA COc1ccc([C@H]2C[C@@H](C)N(C(=O)Cc3ccc(N)cc3)C2)cc1 159973352 GFWDVVJMJOQVIW-PBHICJAKSA-N 324.424 3.225 10 50 DGCA Cc1cc(C)c(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)c(C)c1 13126393 KRIZXBAQWIVUNA-CXUHLZMHSA-N 323.396 3.200 10 50 DGCA C[C@@H]1CCCCN1Cc1c(O)ccc2c3c(c(=O)oc12)CCC3 122733 IQWSLDAYDMTCDC-GFCCVEGCSA-N 313.397 3.362 10 50 DGCA Oc1cc2c3cc(O)c(O)cc3c3cc(O)c(O)cc3c2cc1O 38229869 QMLILIIMKSKLES-UHFFFAOYSA-N 324.288 3.380 10 50 DGCA in-vitro COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2)cc1 3902367 VBUVGGBNQSKNJE-CQSZACIVSA-N 302.761 3.493 10 50 DGCA CC1=CC(c2ccccc2)=NC2=S=C(c3ccccc3)C(=O)N12 334157883 QZLPUWDDVOCVBP-UHFFFAOYSA-N 318.401 3.277 10 50 DGCA CC[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccccc1O 156843310 RNBMPNMBJZALBS-LBPRGKRZSA-N 313.323 3.385 10 50 DGCA COc1ccc(C(=O)C(=O)c2ccccc2Cl)cc1OC 2384868 ULVSCSFZMZRZHJ-UHFFFAOYSA-N 304.729 3.423 10 50 DGCA O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1cccc(O)c1 5375996 CAPZXRDSWFVEET-ZROIWOOFSA-N 312.350 3.180 10 50 DGCA COc1ccc(N2CCC(NCc3ncccc3C)CC2)cc1 154639188 BDNZTBNSUFAWOM-UHFFFAOYSA-N 311.429 3.157 10 50 DGCA Oc1cc(CN2CCCCC2)c(O)cc1CN1CCCCC1 224858 NGSODXNPVIELMQ-UHFFFAOYSA-N 304.434 3.070 10 50 DGCA CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](CC)N1 2325804373 IUMRTFZGZODSTE-JKSUJKDBSA-N 304.434 3.052 10 50 DGCA COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)c(O)c1 253433426 WRKNYIFADQIROU-CQSZACIVSA-N 316.382 3.160 10 50 DGCA OC1CCN(c2ccc(CNC[C@@H]3CC=CCC3)cc2F)CC1 238154898 CMFLNJXFHMEPMM-OAHLLOKOSA-N 318.436 3.233 10 50 DGCA CCc1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1 16671910 WCMUWGLMXGZGAK-ATVHPVEESA-N 306.365 3.019 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccccc1[N+](=O)[O-] 100497516 BAOHVZBIUZSNOE-SDNWHVSQSA-N 322.324 3.313 10 50 DGCA CC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccccc1O 156092581 GIQPGCHGQCYAJH-TZMCWYRMSA-N 300.406 3.122 10 50 DGCA CC(=O)N[C@H](c1ccc(C)cc1)c1ccc2cccnc2c1O 102645 PMYLAQSGBOUTCD-QGZVFWFLSA-N 306.365 3.474 10 50 DGCA O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(O)cc1 22135318 NKDQHQIUCGSFNK-KAMYIIQDSA-N 302.399 3.239 10 50 DGCA CCc1cccc(CN2CCC3(CC2)CC(C(=O)O)C3)c1O 2325787118 BYYCWSNCQWJNJP-UHFFFAOYSA-N 303.402 3.031 10 50 DGCA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Cl)C(=O)C2=O 2666495 FQRYPWPKUXICNA-SJORKVTESA-N 319.788 3.243 10 50 DGCA CC[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1O 156379768 AKSOBNMHDXITFI-RDJZCZTQSA-N 316.445 3.224 10 50 DGCA CC1CCN(C2=NC(=O)/C(=C/c3ccccc3O)S2)CC1 63516 RJWRPVHASZHOOT-UVTDQMKNSA-N 302.399 3.094 10 50 DGCA CCOc1ccccc1[C@@H]1CC(c2ccccc2O)=NN1C(C)=O 4942476 XYVLHIIRNISDHS-KRWDZBQOSA-N 324.380 3.489 10 50 DGCA COCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 5675242 YYADCLDKFYYINK-FMIVXFBMSA-N 311.403 3.063 10 50 DGCA CCCOc1cccc(C(=O)Nc2ccc(O)cc2C(=O)O)c1 2363553 CHQDAXMIKRODQT-UHFFFAOYSA-N 315.325 3.132 10 50 DGCA O=C1N=C(O)/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1 2913765 YWXCDCGCZIUXRR-UHFFFAOYSA-N 316.700 3.190 10 50 DGCA CC(C)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1181957 QZAYGQDTFFFKQQ-GHXNOFRVSA-N 322.411 3.452 10 50 DGCA CC(=O)Nc1ccc(N2N=C(C)/C(=C/c3ccccc3)C2=O)cc1 4950212 KJQCHRWJXANNAQ-PDGQHHTCSA-N 319.364 3.451 10 50 DGCA CCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 7642938 YLWCBVNTENGISP-UHFFFAOYSA-N 324.424 3.220 10 50 DGCA COCCCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1 2870398 WETZZPZVAAOMLY-UHFFFAOYSA-N 305.349 3.348 10 50 DGCA CCC1=N[C@H](c2cc(Br)ccc2O)N(O)C1(C)C 23115363 SOAGDTZMWSMMTQ-LBPRGKRZSA-N 313.195 3.488 10 50 DGCA C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)C1 4754849 JMNDQHVRZLWUJG-ZECSTPGPSA-N 302.399 3.094 10 50 DGCA CC(C)c1ccc(/C=C2\SC(=S)NC2=O)cc1[N+](=O)[O-] 5482026 DYEABDOWJYMFEK-WDZFZDKYSA-N 308.384 3.207 10 50 DGCA C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccccc3O)S2)C1 462420 XGCXCIWVIAZGSB-HOXUKUGESA-N 302.399 3.094 10 50 DGCA CN(Cc1ccccc1)c1ccc(/N=N/c2n(C)nc[n+]2C)cc1 135959474 OZHBUKGWKBHRQP-UHFFFAOYSA-N 321.408 3.296 10 50 DGCA Cc1ccc(O)c(CN2CCC[C@@H](OCc3cccnc3)C2)c1 65535551 KVBCUPOFBIQRDL-GOSISDBHSA-N 312.413 3.277 10 50 DGCA COC(=O)c1ccc(O)c(CN[C@@H](C)c2cc(C)oc2C)c1 1776006779 VKBCSUTVFHTASV-NSHDSACASA-N 303.358 3.239 10 50 DGCA COCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 6008158 LSXOCSYEWIBQRQ-DHZHZOJOSA-N 313.831 3.188 10 50 DGCA Cc1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 13590961 BZSZTZKQUOLFPJ-FYQHACEVSA-N 319.451 3.375 10 50 DGCA O=C(Nc1cccc(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 2862883 TVKWJNPNNSBJMT-UHFFFAOYSA-N 311.341 3.447 10 50 DGCA COc1cc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2)ccc1O 105850668 FRLMNEJVHPMOPC-LBPRGKRZSA-N 318.760 3.199 10 50 DGCA CCc1ccc(/C=C2\C(=O)NN(c3ccc(CC)cc3)C2=O)cc1 208160561 IWZLWWWDGCUXQU-QGOAFFKASA-N 320.392 3.273 10 50 DGCA COc1cc(Br)cc(CN2CCC[C@@H](C)C2)c1O 4988243 NQRRMUBHDRADAP-SNVBAGLBSA-N 314.223 3.395 10 50 DGCA CN(C)c1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1 117709 RWOOVKSVZABWRU-ZWKOTPCHSA-N 319.412 3.490 10 50 DGCA CCC(=O)N1N=C(c2cccc(OC)c2O)C[C@@H]1c1ccco1 170615255 QWXLAMLZYYLVBC-CYBMUJFWSA-N 314.341 3.082 10 50 DGCA COc1ccc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)cc1 514554 NMEVFBVBVAZCOX-UHFFFAOYSA-N 324.424 3.274 10 50 DGCA CCOC(=O)c1c(C)oc2cc(Cl)c(O)c(CN(C)C)c12 20792833 UBMIKLUSHCSWBA-UHFFFAOYSA-N 311.765 3.339 10 50 DGCA Oc1c(Cl)cc(Cl)cc1CN1CCC2(CCNCC2)C1 67967550 AJCMSQRREOPKDY-UHFFFAOYSA-N 315.244 3.275 10 50 DGCA O=C1N=C(Nc2cccc(O)c2)S/C1=C\c1cccc(O)c1 110167 DZMICVVRVNEAFB-ZSOIEALJSA-N 312.350 3.180 10 50 DGCA CCn1c(/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 4752078 SZTYYEMNHISJHM-VAWYXSNFSA-N 321.336 3.495 10 50 DGCA O=C(O)C1CC2(CCN(Cc3cccc(Cl)c3O)CC2)C1 2325787347 UVPMLVBCIIJOIF-UHFFFAOYSA-N 309.793 3.122 10 50 DGCA CN(CCO)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 39239946 HDTHXVLPENJYQS-UHFFFAOYSA-N 301.430 3.463 10 50 DGCA O=C(c1cccc(O)c1O)N1CC[C@@H](c2c(F)cccc2F)C1 193166779 ZDJHKHBDSJIBIG-SNVBAGLBSA-N 319.307 3.006 10 50 DGCA COc1ccc(CCNCc2ccc(N(C)C)cc2)cc1OC 6027048 VIMGWVIKTDDEQH-UHFFFAOYSA-N 314.429 3.102 10 50 DGCA CCOc1ccc(/C=C2/SC(=S)N(C)C2=O)c(OCC)c1 1190387 NTFMRGVELQQDFQ-MDWZMJQESA-N 323.439 3.315 10 50 DGCA Cc1cc(NS(=O)(=O)c2ccccc2)c(C)c(Cl)c1O 193486 SDSUWSPCHAFZNZ-UHFFFAOYSA-N 311.790 3.463 10 50 DGCA CC(C)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1 55034 JPBHOXFOHLNEBX-RVDMUPIBSA-N 316.426 3.113 10 50 DGCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(C)o1 4844973 BAPAHIYZIQENRA-OQLLNIDSSA-N 310.309 3.092 10 50 DGCA O=C1NC(=O)/C(=C\C(Br)=C\c2ccccc2)S1 109789474 WMXCISXAYFYHAU-PCCLLEMOSA-N 310.172 3.289 10 50 DGCA C[C@@H](CO)CN(Cc1ccccc1)Cc1cc(F)ccc1O 55227107 OYVLERQZSNZIIT-CQSZACIVSA-N 303.377 3.162 10 50 DGCA CN(C)c1ccc(C2=CCN(C(=O)c3cc(Cl)c[nH]3)C2)cc1 1875255917 RNWDCOPTUXLVTQ-UHFFFAOYSA-N 315.804 3.274 10 50 DGCA O=C1/C(=C/c2ccccc2O)SC(=S)N1Cc1ccco1 13547613 BDMPQTSHTYLPCF-JYRVWZFOSA-N 317.391 3.387 10 50 DGCA COC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 44638 DJEZEZJHLBLOQX-UHFFFAOYSA-N 324.332 3.320 10 50 DGCA CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O 1571039 HOFHLRCDGWSLHX-UHFFFAOYSA-N 321.852 3.415 10 50 DGCA in-man CCOc1cccc(CN(CCO)Cc2cccc(C)c2O)c1 55211516 GIQIOUHVLDOVKW-UHFFFAOYSA-N 315.413 3.094 10 50 DGCA Cc1c(N[C@@H](C)c2ccccc2O)c(=O)n(-c2ccccc2)n1C 285502 CXJGRVNUWQTPBB-ZDUSSCGKSA-N 323.396 3.363 10 50 DGCA COc1cccc(CN2CCCC[C@@H]2CCn2cccn2)c1O 65419754 TVIXWAKPJFUSMB-MRXNPFEDSA-N 315.417 3.042 10 50 DGCA COc1ccccc1N1CC[C@H](N[C@H](C)c2ccccc2O)C1 183555420 GJJOBXJTTMUWAJ-CABCVRRESA-N 312.413 3.330 10 50 DGCA c1cn(CCCNC2CCN(c3ccc4c(c3)CCC4)CC2)cn1 1506399323 LYDRYQQNMKYUTI-UHFFFAOYSA-N 324.472 3.021 10 50 DGCA Cc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)c(C)c1 71775344 VZOUJXZSMFBLSM-UHFFFAOYSA-N 320.396 3.383 10 50 DGCA CCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 2834789 CQVCDBKSHLZAIJ-QXMHVHEDSA-N 318.423 3.010 10 50 DGCA CC(=O)N[C@@H](c1ccccc1C)c1ccc2cccnc2c1O 102683 RUBRUMZZKQZOAC-SFHVURJKSA-N 306.365 3.474 10 50 DGCA COc1ccc(O)c([C@@H]2NN=C(Cc3ccccc3)S2)c1 275216 QCEBWBMBZVQITE-MRXNPFEDSA-N 300.383 3.292 10 50 DGCA O=C1N=C(O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1 8914310 GOWGJQIIZCABJB-UHFFFAOYSA-N 314.322 3.021 10 50 DGCA CCN(Cc1noc(CC(C)C)n1)Cc1cccc(F)c1O 55357987 FRNKKXNXVOFIEA-UHFFFAOYSA-N 307.369 3.135 10 50 DGCA O=C1/C(=C/c2ccco2)SC(=S)N1c1cccc(O)c1 1002958 FIAJZDDIBJHGBF-WQLSENKSSA-N 303.364 3.391 10 50 DGCA CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)OC1=S 100707015 QJWXYJVEEPDIHI-CCEZHUSRSA-N 314.410 3.223 10 50 DGCA Cc1ocnc1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 97637995 NTGMERIMLSVDOQ-CYBMUJFWSA-N 313.401 3.149 10 50 DGCA CN1CCC(N(C)Cc2cc(Cl)cc(Cl)c2O)CC1 16662934 ZMRLVYQLBDRPSS-UHFFFAOYSA-N 303.233 3.225 10 50 DGCA CC[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccccc1O 156320816 OPMVXRSOKHXORQ-BBRMVZONSA-N 315.392 3.246 10 50 DGCA Cc1cccc(-n2c(C)cc(/C=C3\NC(O)=NC3=O)c2C)c1C 13809790 FCPLCLSBSPRYSN-DHDCSXOGSA-N 309.369 3.096 10 50 DGCA O=C1N=C(O)/C(=C\C=C\c2ccco2)C(=O)N1c1ccccc1 440863 LICICFGYOWUDIY-QXAPVUDZSA-N 308.293 3.343 10 50 DGCA COc1cccc(CN(C)Cc2ccc3nsnc3c2)c1O 65506190 ANYZBTHOROUDHF-UHFFFAOYSA-N 315.398 3.038 10 50 DGCA COc1ccc(N2CCCN([C@H]3C[C@H](C)O[C@H](C)C3)CC2)cc1 252477826 VYPUNSJQZUCQTB-ALXJQNPVSA-N 318.461 3.163 10 50 DGCA O=C(c1ccccc1)c1coc2c1C(=O)c1ccccc1C2=O 448213 RIGQMNQRBFVSGV-UHFFFAOYSA-N 302.285 3.286 10 50 DGCA CNC(=O)CC1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 67967503 WKWUKRIHCYEBAR-UHFFFAOYSA-N 318.461 3.038 10 50 DGCA COc1ccc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 55543948 WGXMGEBMCKPGRW-UHFFFAOYSA-N 318.367 3.296 10 50 DGCA c1cc(-c2ccc(CNCc3ccc4c(c3)CCCO4)o2)n[nH]1 2325774200 OGRGANASICALTI-UHFFFAOYSA-N 309.369 3.285 10 50 DGCA CCc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)s1 15010780 VKGJWSCZYDHNQT-FLIBITNWSA-N 313.469 3.158 10 50 DGCA COc1ccc(C2=C/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)O2)cc1 199992 QBSFQTSBKWMIKN-FLIBITNWSA-N 313.265 3.178 10 50 DGCA CSc1nnc2c(n1)OC=Nc1ccc(Br)cc1-2 620996 KXVUHDZZLAIVNG-UHFFFAOYSA-N 323.175 3.075 10 50 DGCA CCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1OC 2912008 IXDMTZCAYXLKIY-UKTHLTGXSA-N 323.439 3.363 10 50 DGCA Cc1oc2c(O)c(O)ccc2c(=O)c1Oc1ccccc1F 6417551 PUJMAXLCUPSZMT-UHFFFAOYSA-N 302.257 3.444 10 50 DGCA Oc1ccc(F)cc1[C@@H](Nn1cnnc1)c1ccccc1Cl 22018986 BFFYVOYQNVGSFS-HNNXBMFYSA-N 318.739 3.109 10 50 DGCA Oc1ccccc1CN1CCN(c2cccc(Cl)c2)CC1 62183891 HHOPUUVOOYZVEZ-UHFFFAOYSA-N 302.805 3.368 10 50 DGCA CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1021719 OIUVCFWWHREQQF-TWGQIWQCSA-N 314.229 3.280 10 50 DGCA COc1cccc(CN2CCC[C@](CO)(CC(C)C)C2)c1O 65394286 ALBSJSQJPSRBKQ-SFHVURJKSA-N 307.434 3.021 10 50 DGCA Nc1ccc(CC(=O)N2CCC(OCC3CCCC3)CC2)cc1 162084753 HDHZXPKAHQRLQH-UHFFFAOYSA-N 316.445 3.009 10 50 DGCA CCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 2533358 HJFOKYACRIHKSC-JYRVWZFOSA-N 303.408 3.227 10 50 DGCA Cc1cc(NC(=O)CSc2ncc(C(C)(C)C)s2)n(C)n1 164031066 QMCUFKGAYTXSTM-UHFFFAOYSA-N 324.475 3.213 10 50 DGCA COc1cccc(CN2CCN(c3ccccc3)C[C@@H]2C)c1O 65528517 GESFTQMZQBNXAG-HNNXBMFYSA-N 312.413 3.112 10 50 DGCA CN(Cc1ccccc1O)C(=O)c1ccc(C(F)(F)F)cc1N 1629954801 DRORLBBEDKIDJC-UHFFFAOYSA-N 324.302 3.265 10 50 DGCA Nc1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3 4833320 WOHYNDYAOAAXOQ-UHFFFAOYSA-N 315.126 3.384 10 50 DGCA O=[N+]([O-])c1ccc(O)c([C@H]2NN=C(Cc3ccccc3)S2)c1 22034005 RSRDGDLMPJNMGU-HNNXBMFYSA-N 315.354 3.192 10 50 DGCA CCN1C(=O)/C(=C\c2coc3ccccc3c2=O)SC1=S 5471710 VAUGFLQWBHLWAJ-KPKJPENVSA-N 317.391 3.014 10 50 DGCA CC[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccccc1O 156320934 OPMVXRSOKHXORQ-XJKSGUPXSA-N 315.392 3.246 10 50 DGCA COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(O)cc1 1191652409 MQQVPMOSVNMRNN-UHFFFAOYSA-N 321.398 3.325 10 50 DGCA O=C1/C(=C/c2ccco2)SC(=S)N1c1ccc(O)cc1 1002979 LRLZBXRIABESDY-WQLSENKSSA-N 303.364 3.391 10 50 DGCA CCOC(=O)c1sc2nc3c(cc2c1N)CO[C@](C)(CC)C3 524961 OQOQNULQSFFCLL-MRXNPFEDSA-N 320.414 3.297 10 50 DGCA CN(Cc1ccccc1O)C(=O)CCN1CCCCCCC1 63883069 KPRLOWXCRSIIBO-UHFFFAOYSA-N 304.434 3.007 10 50 DGCA COCCN(Cc1ccccc1F)Cc1c(O)cccc1OC 55042463 QEULJDBSBWSPGO-UHFFFAOYSA-N 319.376 3.189 10 50 DGCA COc1ccccc1NC(=O)c1cc2ccccc2c(N)c1O 30834331 MNUVMVRTQKRCTG-UHFFFAOYSA-N 308.337 3.389 10 50 DGCA Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 317219 DIKCBTRUNPSVLF-LICLKQGHSA-N 323.396 3.398 10 50 DGCA Cc1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 1220872 BZSZTZKQUOLFPJ-OZYJXZHSSA-N 319.451 3.375 10 50 DGCA CC(=O)N[C@@H](c1ccc(C)cc1)c1ccc2cccnc2c1O 102639 PMYLAQSGBOUTCD-KRWDZBQOSA-N 306.365 3.474 10 50 DGCA CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 3892423 PKOKMUJFGPGZJE-UHFFFAOYSA-N 324.332 3.402 10 50 DGCA biogenic CC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1O 156092362 GIQPGCHGQCYAJH-GXTWGEPZSA-N 300.406 3.122 10 50 DGCA Cc1ccc(O)c(CN(C)Cc2nc(-c3ccccc3)no2)c1 65468385 SOLUQAHISRXYMG-UHFFFAOYSA-N 309.369 3.383 10 50 DGCA COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Cc3ccc(N)cc3)C2)cc1 159973622 GFWDVVJMJOQVIW-RHSMWYFYSA-N 324.424 3.225 10 50 DGCA CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 4724295 NUVUSJFIBYRKLR-KPKJPENVSA-N 307.396 3.027 10 50 DGCA C[C@H](C1CC1)n1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1 930977965 NFPUBVXQIXEZJM-LLVKDONJSA-N 312.373 3.107 10 50 DGCA Cc1cc2oc(=O)c(C)c(C)c2c(O)c1CN1CCCCC1 20412195 XBLZFNIQMSHTJA-UHFFFAOYSA-N 301.386 3.410 10 50 DGCA biogenic CN(C)c1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 187736 OAVASASBCWSVKV-WJDWOHSUSA-N 310.328 3.236 10 50 DGCA COc1cc(Br)cc(CNc2cc(C)on2)c1O 122126 PZUDJWLCHKKDIB-UHFFFAOYSA-N 313.151 3.072 10 50 DGCA CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1 449655 GLWDFHHMQGYEHL-LJQANCHMSA-N 307.397 3.450 10 50 DGCA C[C@@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn12)C1CC1 267560817 KCTJQNLWEVJSQR-GFCCVEGCSA-N 306.369 3.381 10 50 DGCA C[C@@H](NC1CCN(Cc2ccncc2)CC1)c1ccccc1O 183430577 ATTLWNYSDQCEIJ-OAHLLOKOSA-N 311.429 3.102 10 50 DGCA O=C1c2ccccc2C(=O)C1(Cl)c1ccc([N+](=O)[O-])cc1 3107048 OFNYOZLCIQBGDJ-UHFFFAOYSA-N 301.685 3.108 10 50 DGCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccco1 4151781 SDUHURTXQNLLDZ-UHFFFAOYSA-N 317.300 3.307 10 50 DGCA O=C(Nc1ccc(O)c(O)c1)C1CC(OCc2ccccc2)C1 1775999315 RYQBPYVRJZLXKV-UHFFFAOYSA-N 313.353 3.032 10 50 DGCA Nc1ccc(CC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 237883978 ZSVCIZFVEDWZHT-SFHVURJKSA-N 312.388 3.184 10 50 DGCA CN1CCc2cc(CN[C@H]3CCCO[C@@H]3c3ccncc3)ccc21 328639852 PRXARKTYXZZJMW-AZUAARDMSA-N 323.440 3.084 10 50 DGCA COCCN(Cc1ccc(C)cc1)Cc1c(O)cccc1OC 55325308 PDQCCEUGEWUYTF-UHFFFAOYSA-N 315.413 3.358 10 50 DGCA CCOC(=O)c1oc2cc(Cl)c(O)c(CN(C)C)c2c1C 22780120 XIPNLBWQVWSYOX-UHFFFAOYSA-N 311.765 3.339 10 50 DGCA COc1cccc(CN2CCN(c3ccccc3)C[C@H]2C)c1O 65528515 GESFTQMZQBNXAG-OAHLLOKOSA-N 312.413 3.112 10 50 DGCA CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)cc1 253429056 RVJPVQPYZIPIKX-GOSISDBHSA-N 324.380 3.489 10 50 DGCA COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)c1O 6701888 UYPMLPVTWCFTSU-INIZCTEOSA-N 310.353 3.098 10 50 DGCA C/C(=C1/SC(N2C[C@H](C)O[C@H](C)C2)=NC1=O)c1ccccc1 13153534 NWIBIQZUFDWWQW-OEXSDOSWSA-N 316.426 3.156 10 50 DGCA COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1O 5151587 ZHCCLZUKQJBQSZ-GDNBJRDFSA-N 308.337 3.207 10 50 DGCA COCCCN1C(=O)/C(=C/c2sccc2C)SC1=S 2682735 ZSZLOHLBCJJHDF-FLIBITNWSA-N 313.469 3.294 10 50 DGCA CN(C)c1cc(N(C)C)c2noc3c2c1C(=O)c1ccccc1-3 4726838 MHRHGJIQTYIORM-UHFFFAOYSA-N 307.353 3.171 10 50 DGCA COc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1 39161 VZIAMIRDCFXODP-PTNGSMBKSA-N 316.426 3.397 10 50 DGCA Fc1cc(CN2CCC[C@@H]3CCC[C@H]32)ccc1N1CCOCC1 769101356 DLDFXIVSLVDDEZ-FUHWJXTLSA-N 318.436 3.427 10 50 DGCA CC1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(CO)coc2-1 14681569 CEHVTERMWMYLCP-UHFFFAOYSA-N 310.349 3.432 10 50 DGCA biogenic,in-vitro Cc1cc(=O)oc2c(C)c(O)c(CN3CCC(C)CC3)cc12 2135904 XAFMHHJGVRCWHU-UHFFFAOYSA-N 301.386 3.347 10 50 DGCA biogenic CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cccc([N+](=O)[O-])c1 100148700 XZDOLAIORLPMLY-LFIBNONCSA-N 322.324 3.313 10 50 DGCA CCOC(=O)[C@H]1CCCN(Cc2ccc(N(CC)CC)cc2)C1 16663036 GLLHYZWJLGIRTP-KRWDZBQOSA-N 318.461 3.308 10 50 DGCA COc1cccc(CN(C)Cc2n[nH]c3c2CCCCC3)c1O 67921899 JABWQAFRYJOEFD-UHFFFAOYSA-N 315.417 3.025 10 50 DGCA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\C=C\c1ccccc1 2068512 GJZBEHWMAWWIHF-MAHQCVNESA-N 324.767 3.358 10 50 DGCA CN1CCc2cc(CNC(=O)c3ccccc3Cl)ccc21 225401934 WTCIEGKNIOYLCS-UHFFFAOYSA-N 300.789 3.262 10 50 DGCA O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1c1ccc2ccccc2n1 109891814 CZYGDAJQGGDMPZ-INIZCTEOSA-N 318.288 3.306 10 50 DGCA O=C1c2ccccc2C(=O)C1(Br)c1ccccc1 28309 GEUAEOKKYUSIJF-UHFFFAOYSA-N 301.139 3.356 10 50 DGCA CC[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccccc1O 156706654 JNTCUISYNCLHMU-IIBYNOLFSA-N 303.427 3.371 10 50 DGCA CC[C@@H](C)OCC(=O)Nc1c(-c2ccccn2)nc2ccccn12 269842506 NTEDUKAACVABRH-CYBMUJFWSA-N 324.384 3.150 10 50 DGCA CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN(CC)CC)c12 3632824 HVGSRGWSMSUNPM-UHFFFAOYSA-N 318.417 3.211 10 50 DGCA NC1=NC(=O)/C(=C\c2cccc(OCc3ccccc3)c2)S1 4174410 ICHCDPSODWUCLP-XNTDXEJSSA-N 310.378 3.195 10 50 DGCA CN(C)c1ccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1 117716 RWOOVKSVZABWRU-QZTJIDSGSA-N 319.412 3.490 10 50 DGCA COC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 134449 OXGMDUSTGDINRR-GFCCVEGCSA-N 324.332 3.400 10 50 DGCA biogenic CN(Cc1ccccc1O)C1CCN(Cc2ccccc2)CC1 179560739 JCHYJWVAPOJLBV-UHFFFAOYSA-N 310.441 3.489 10 50 DGCA CCc1ccccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 6703729 PSUHUWOXARNMDD-RBUKOAKNSA-N 313.397 3.152 10 50 DGCA CCOc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)cc1 4942483 GRQJCSLIFBXUNZ-SFHVURJKSA-N 324.380 3.489 10 50 DGCA c1cn2c(n1)CC[C@H](CNCc1ccc(N3CCCCC3)cc1)C2 275394122 CCVFKPNLXGSYJZ-GOSISDBHSA-N 324.472 3.226 10 50 DGCA Cc1ccc(O)c(CN2CC[C@H](c3sccc3C)[C@@H](O)C2)c1 1565507674 RSRNZZIQICYYGC-RDJZCZTQSA-N 317.454 3.421 10 50 DGCA CCN1/C(=C2/SC(=S)N(C)C2=O)Sc2ccccc21 33326422 GBCXHZYPYAJUAM-BENRWUELSA-N 308.453 3.278 10 50 DGCA Cc1cc(C)cc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)c1 71775342 UMRYKSJFTAJLQZ-UHFFFAOYSA-N 320.396 3.383 10 50 DGCA CCCc1nsc(NCc2ccc3cccnc3c2O)n1 871073666 JNIDGRNHEGJMKC-UHFFFAOYSA-N 300.387 3.357 10 50 DGCA CN(Cc1cccs1)c1ccc(CNCC2(O)CCC2)cc1 823872002 UXNZPYMVQRWLIN-UHFFFAOYSA-N 316.470 3.389 10 50 DGCA CN(C)c1ccc([C@H]2C=C(c3ccccc3)NC(=S)N2)cc1 3878798 JONMBHQOVJEWSL-QGZVFWFLSA-N 309.438 3.313 10 50 DGCA CCC(=O)N1N=C(c2ccc(OC)cc2O)C[C@@H]1c1ccco1 242302285 YRCCUKWGILCORD-CQSZACIVSA-N 314.341 3.082 10 50 DGCA CSc1ccc(CN(CCO)Cc2cccc(C)c2O)cc1 55413359 AZSSPTVFDQUUSJ-UHFFFAOYSA-N 317.454 3.417 10 50 DGCA C[C@H](CCc1cccc(F)c1)NC(=O)Cc1ccc(N)cc1 170677724 ANDGKGBQBGYVEQ-CYBMUJFWSA-N 300.377 3.088 10 50 DGCA COc1ccc(CNC2CCN(c3ccccn3)CC2)cc1C 237358999 UFZRVXMOFYHJMQ-UHFFFAOYSA-N 311.429 3.157 10 50 DGCA CN(C)c1ccc([C@@H]2C=C(c3ccccc3)N=C3NN=NN32)cc1 1826686 SOWOKGYQZLNNFI-KRWDZBQOSA-N 318.384 3.392 10 50 DGCA Cc1nnsc1CN(C)Cc1cc(C(C)(C)C)ccc1O 67821270 IHRMBUSIICRRNK-UHFFFAOYSA-N 305.447 3.482 10 50 DGCA C[C@@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)c1cnn(C)c1 584896957 XOKNZOIWSVMUHC-OAHLLOKOSA-N 324.472 3.228 10 50 DGCA COc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O 88716 RZTGIMMUYNYDOO-PTNGSMBKSA-N 316.426 3.397 10 50 DGCA COc1ccccc1N1CC[C@H](Sc2nccs2)C1=O 121814027 QWQDMTGHCYTDMT-LBPRGKRZSA-N 306.412 3.049 10 50 DGCA Nc1ccc(CC(=O)N2CCC(COc3ccccc3)CC2)cc1 237885660 HMYLEQOMSSENSK-UHFFFAOYSA-N 324.424 3.129 10 50 DGCA COc1ccc(N(Cc2ccccc2)Cc2nccc(N)n2)cc1 135170195 SHFRZTQQBRQLGJ-UHFFFAOYSA-N 320.396 3.274 10 50 DGCA c1cc(CCNC2CCN(c3ccc4c(c3)CCC4)CC2)ccn1 952979645 OTBFFSOJYQMIJB-UHFFFAOYSA-N 321.468 3.371 10 50 DGCA CC1(C)OC(=O)C(N=Nc2ccc(Cl)c(Cl)c2)C(=O)O1 245239893 GVWGTZFUGNEEBK-UHFFFAOYSA-N 317.128 3.282 10 50 DGCA COc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1Cl 2958322 WOUMTBMDJQXRQG-XBXARRHUSA-N 320.222 3.491 10 50 DGCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(C)=O)ccc12 462390 WLSQXTXWAGLNLY-UHFFFAOYSA-N 312.321 3.231 10 50 DGCA CN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 4973997 COHSHASOWICZRH-WEVVVXLNSA-N 314.775 3.079 10 50 DGCA O=C(CSc1cnc2ccccc2n1)c1ccc(O)c(O)c1 334162676 FCTUOJFJMGJNFX-UHFFFAOYSA-N 312.350 3.016 10 50 DGCA CNc1ccc(Br)c2c1C(=O)c1ccccc1C2=O 3885615 IIPRUQZTMZETSL-UHFFFAOYSA-N 316.154 3.266 10 50 DGCA COCCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 4832760 WOKYEAQTOMJICJ-LQQFGEHRSA-N 319.451 3.481 10 50 DGCA Cc1c(N[C@H](C)c2ccccc2O)c(=O)n(-c2ccccc2)n1C 285503 CXJGRVNUWQTPBB-CYBMUJFWSA-N 323.396 3.363 10 50 DGCA COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 60599 GFGAGWQZEHNDMO-SDNWHVSQSA-N 302.399 3.151 10 50 DGCA Cc1nc(-c2c(C)c3cccc(C)c3n2C)n(CC(C)(C)O)n1 825292027 LVKUZGYDLMONLU-UHFFFAOYSA-N 312.417 3.133 10 50 DGCA Cc1cc2oc(=O)cc(C)c2c(O)c1CN1CCC(C)CC1 20412226 KMRYAQACALWWIX-UHFFFAOYSA-N 301.386 3.347 10 50 DGCA [O-]/[N+](Cc1ccccc1)=N\OCO/N=[N+](\[O-])Cc1ccccc1 39715814 HJLKJXOEXNBJME-YGGBKCGDSA-N 316.317 3.133 10 50 DGCA Cc1ccc(O)c(CN2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)c1 247836833 NTOKFSKZWPIKQF-MJGOQNOKSA-N 315.388 3.190 10 50 DGCA O=C1NN=C(C(F)(F)F)C1=CNc1ccc(C(F)(F)F)cc1 2041706246 HEZWGTIYBGODTP-UHFFFAOYSA-N 323.196 3.049 10 50 DGCA CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](CC)N1 2325804371 IUMRTFZGZODSTE-HOTGVXAUSA-N 304.434 3.052 10 50 DGCA Cc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1N1CCCC1 15011267 UUOIMFAHSHHKFW-UVTDQMKNSA-N 318.467 3.426 10 50 DGCA CCn1c(C)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1C 382370 KEUJKDKAKDGXCP-LFIBNONCSA-N 309.369 3.222 10 50 DGCA O=[N+]([O-])c1ccc(O)c(C2=NN[C@@H](c3ccc(Cl)cc3)C2)c1 36077440 SZBVFVPXMNFQEE-CYBMUJFWSA-N 317.732 3.393 10 50 DGCA COc1cccc(C2=NN(C(C)=O)[C@H](c3cccs3)C2)c1O 170615218 MGAGUKBJLBAQRZ-ZDUSSCGKSA-N 316.382 3.160 10 50 DGCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CN1CCCC1 334162899 GPSMNKBRZXKZBU-LCYFTJDESA-N 322.430 3.080 10 50 DGCA Oc1ccc(Cl)cc1CN1CCN(Cc2ccccc2)CC1 19635085 CLNLJBXCSNSBRR-UHFFFAOYSA-N 316.832 3.363 10 50 DGCA C[C@@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1ccccc1O 91845640 IXTWHECEUIEKRT-LLVKDONJSA-N 312.344 3.224 10 50 DGCA COC1CCN(c2ccc(CN3CCSC[C@@H]3C)cc2)CC1 408519517 OVPMOZOEPNIOSP-HNNXBMFYSA-N 320.502 3.239 10 50 DGCA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1F 313451 GZRQFQBDTOVNDA-ZROIWOOFSA-N 317.360 3.154 10 50 DGCA COc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 55543337 UUNBLXINWYHODP-UHFFFAOYSA-N 300.377 3.157 10 50 DGCA Oc1ccccc1C1=Nn2c(nnc2-c2ccccc2)SC1 4868729 HESUTTAGUNPEBE-UHFFFAOYSA-N 308.366 3.009 10 50 DGCA Cc1cc(C(=O)NC(C)(C)CN)c(C)n1-c1cccc(Cl)c1 262543544 IQFHBRAFWYCZKU-UHFFFAOYSA-N 319.836 3.215 10 50 DGCA O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCCCC1 20178010 KNKXYNXZAKPOCC-UHFFFAOYSA-N 305.377 3.447 10 50 DGCA Cc1ccnc(-n2c(C)cc(CN(C)Cc3ncc[nH]3)c2C)c1 67655121 BPRLSIFOYVMQGE-UHFFFAOYSA-N 309.417 3.153 10 50 DGCA Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1C 1052719 XNUJROILWFEOKB-UHFFFAOYSA-N 305.399 3.427 10 50 DGCA CC(=O)NC1=NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1 4819312 BMKBKPCRJPSXBM-ONNFQVAWSA-N 315.181 3.100 10 50 DGCA CCOC(=O)[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]12 37718 HNUOXQDRHLEXMA-WDMOLILDSA-N 322.202 3.466 10 50 DGCA COc1cc(Br)cc(CN2CCC[C@H](C)C2)c1O 4988247 NQRRMUBHDRADAP-JTQLQIEISA-N 314.223 3.395 10 50 DGCA CCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)cc1 253429058 RVJPVQPYZIPIKX-SFHVURJKSA-N 324.380 3.489 10 50 DGCA CCCc1cc(=O)oc2c(C)c(O)c(CN3CCCC3)cc12 1267317 DHYVBRGSZGIXHK-UHFFFAOYSA-N 301.386 3.355 10 50 DGCA Cc1nc(NC(=O)c2c(C)c3cccc(C)c3n2C)ns1 2100540077 CDYQXNMJMFBELV-UHFFFAOYSA-N 300.387 3.207 10 50 DGCA CCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 4955222 ZDZQOOOEQVIBQX-MDWZMJQESA-N 321.423 3.417 10 50 DGCA CC(C)(C)n1nccc1NC(=O)NCc1cccc(Cl)c1O 930926648 ZVNUQUSOQGEPQI-UHFFFAOYSA-N 322.796 3.319 10 50 DGCA C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Cl)cc1 2291465 QOOPSMQEDCXXCO-RAXLEYEMSA-N 322.817 3.033 10 50 DGCA O=C1/C(=C/c2ccccc2F)SC(=S)N1C[C@H]1CCCO1 13739496 SPZIUJWGHLTEIQ-JYVXZMADSA-N 323.414 3.206 10 50 DGCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(F)cc1 12412734 UJEJOGQEJNWSMA-SXGWCWSVSA-N 324.311 3.330 10 50 DGCA Cc1ccccc1OCC(=O)NCc1ccc(N2CCCC2)cc1 10113468 OIABOOGVIGHKLQ-UHFFFAOYSA-N 324.424 3.290 10 50 DGCA c1cn2c(n1)CC[C@@H](CNCc1ccc(N3CCCCC3)cc1)C2 275394125 CCVFKPNLXGSYJZ-SFHVURJKSA-N 324.472 3.226 10 50 DGCA O=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1O)N[C@H]2c1ccccc1O 150283162 VPRRXGCLWRHPQO-LNMJFAINSA-N 323.392 3.469 10 50 DGCA Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC3)c2oc1=O 20332469 GDPIQKMVQJDGKQ-UHFFFAOYSA-N 307.777 3.365 10 50 DGCA CCOC(=O)C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 4980505 XCAHGFLJDLRKJQ-AATRIKPKSA-N 316.445 3.041 10 50 DGCA Cc1c(CN(C)Cc2cccc(C(C)(C)C)c2O)cnn1C 67514430 AUFMCWBWSNXRES-UHFFFAOYSA-N 301.434 3.364 10 50 DGCA CC(=O)OCCNc1ccc2noc3c2c1C(=O)c1ccccc1-3 2295682 YPIUMTPSSBKZKH-UHFFFAOYSA-N 322.320 3.014 10 50 DGCA O=C1c2ccccc2C(=O)c2c(NC[C@H]3CCCO3)cccc21 4123392 SZFUCSWDXKVOMI-GFCCVEGCSA-N 307.349 3.053 10 50 DGCA COc1ccc(N2CCN(Cc3sccc3C)CC2)cc1 55543539 LNJSDZKZGBFIMP-UHFFFAOYSA-N 302.443 3.387 10 50 DGCA CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12 1838062 LSLYTNAOMGBHIT-UHFFFAOYSA-N 301.386 3.437 10 50 DGCA aggregator Oc1ccc(-c2ccc(F)cc2)cc1CN1CCC[C@@H](O)C1 11872836 MKVLEQDNJJDCSW-QGZVFWFLSA-N 301.361 3.155 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1 13395698 GJKUANGADYXLQC-WJDWOHSUSA-N 322.324 3.313 10 50 DGCA COC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 134448 OXGMDUSTGDINRR-LBPRGKRZSA-N 324.332 3.400 10 50 DGCA biogenic CC1=NN(c2ccccc2)C(=O)/C1=C(\O)c1ccc([N+](=O)[O-])cc1 100147616 IYFMADQFWYYKGK-NXVVXOECSA-N 323.308 3.287 10 50 DGCA O=C1/C(=C\c2cccs2)SC(=S)N1CN1CCCCC1 22205994 ZEIKYPLXXPQQBF-FMIVXFBMSA-N 324.496 3.393 10 50 DGCA O=[N+]([O-])c1ccc(O)c(C2=NN[C@H](c3ccc(Cl)cc3)C2)c1 34208707 SZBVFVPXMNFQEE-ZDUSSCGKSA-N 317.732 3.393 10 50 DGCA Oc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1 19358781 LGVQHNODQDQPFX-RMKNXTFCSA-N 308.425 3.223 10 50 DGCA COc1ccc(N2CCN(CCCC(F)(F)F)CC2)cc1 20820067 NQFDGLIRXJUISE-UHFFFAOYSA-N 302.340 3.160 10 50 DGCA O=C(NCc1ccc(N2CCCC2)cc1)c1csnc1Cl 1875300364 AOZBZGYTKPTBDQ-UHFFFAOYSA-N 321.833 3.327 10 50 DGCA CC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccccc1O 156092465 GIQPGCHGQCYAJH-OCCSQVGLSA-N 300.406 3.122 10 50 DGCA CC[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccccc1O 156320558 OPMVXRSOKHXORQ-CJNGLKHVSA-N 315.392 3.246 10 50 DGCA CC(C)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1182217 XPYYBTGJHGPTBV-GHXNOFRVSA-N 322.411 3.452 10 50 DGCA CN(C)c1ccc(OCC(=O)NCCC2CCCCC2)cc1 225542735 KDWGEBNPVCLNPF-UHFFFAOYSA-N 304.434 3.218 10 50 DGCA O=C1/C(=C/c2ccccc2F)SC(=S)N1CN1CCCC1 334163555 WVIILIVHECUEGQ-LCYFTJDESA-N 322.430 3.080 10 50 DGCA O=C(Cc1cccs1)NCc1ccc(N2CCCC2)cc1 28336886 SNERFCWCGMFURX-UHFFFAOYSA-N 300.427 3.207 10 50 DGCA Cc1ocnc1C(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 97637994 NTGMERIMLSVDOQ-ZDUSSCGKSA-N 313.401 3.149 10 50 DGCA O=C(CCC1CCCCC1)NC1=NN(c2ccccc2)C(=O)C1 4845849 NLXGRJYTUVAMNW-UHFFFAOYSA-N 313.401 3.214 10 50 DGCA CC(C)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1189004 LWTTXPPYGCVQRQ-SDQBBNPISA-N 307.396 3.025 10 50 DGCA Oc1ccc(-c2ccc(F)cc2)cc1CN1CCC[C@H](O)C1 11872837 MKVLEQDNJJDCSW-KRWDZBQOSA-N 301.361 3.155 10 50 DGCA CSc1nnc2c(n1)OC(c1ccccn1)=Nc1ccccc1-2 15017636 QELWZGTWGVENQI-UHFFFAOYSA-N 321.365 3.126 10 50 DGCA Cc1cc2oc(=O)cc(C)c2c(O)c1CN1CCC[C@@H](C)C1 20412197 KTOWABLTUGFCRB-LLVKDONJSA-N 301.386 3.347 10 50 DGCA biogenic CCCN(CCc1cccs1)C(=O)c1cccc(O)c1O 193164796 SDKPVOLOXNDVCC-UHFFFAOYSA-N 305.399 3.254 10 50 DGCA O=C1/C(=C\c2ccccc2)SC(=S)N1CN1CCCCC1 19607820 LDWASJGGRWSMIX-SDNWHVSQSA-N 318.467 3.331 10 50 DGCA CCCCC1=NN2C(=N)/C(=C/c3ccco3)C(=O)N=C2S1 32640974 HQTOTHWZXYYTGN-QHDOCQFZSA-N 302.359 3.089 10 50 DGCA COc1cc2c(cc1OC)[C@@H](c1cc(Cl)ccc1O)NCC2 19831530 GEOZDSWKUCIYRL-KRWDZBQOSA-N 319.788 3.298 10 50 DGCA C/C(=C1/SC(N2C[C@@H](C)O[C@H](C)C2)=NC1=O)c1ccccc1 4197424 NWIBIQZUFDWWQW-UTBUBNTNSA-N 316.426 3.156 10 50 DGCA Cc1cc(N2C(=O)CSC2=S)ccc1Br 1319270 SCSBQFJJGSYFEZ-UHFFFAOYSA-N 302.218 3.122 10 50 DGCA O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)ccc1Cl 443030 SARUNLQPYWZOIM-UHFFFAOYSA-N 318.181 3.500 10 50 DGCA CCCCN1C(=O)/C(=C\C=C2/SCCN2C)SC1=S 5298134 LKHOSQNUTJPPBI-NJWBCTSZSA-N 314.501 3.051 10 50 DGCA CN(C)c1ccc(/C=C/c2cc(C(F)(F)F)nc(=O)[nH]2)cc1 13555275 BXUXTHMBDVRIMH-ZZXKWVIFSA-N 309.291 3.025 10 50 DGCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 966901 JRISRDBHOMHYBY-FMIVXFBMSA-N 321.423 3.061 10 50 DGCA CN(C)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1 55543518 WYWUHVLQLVRQAG-UHFFFAOYSA-N 313.420 3.214 10 50 DGCA O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1 1266339 YMGSBRSYHIWAPI-UHFFFAOYSA-N 320.377 3.481 10 50 DGCA Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 53996535 YMIGILDAQDURHQ-UHFFFAOYSA-N 301.821 3.244 10 50 DGCA CCOc1ccccc1OCCN(C)Cc1cc(F)ccc1O 55385614 OUYMOMVOBRWLPQ-UHFFFAOYSA-N 319.376 3.441 10 50 DGCA Oc1ccccc1CN[C@H]1CCCN(Cc2ccccc2F)C1 19219008 XXCZMFOZZCKOMW-KRWDZBQOSA-N 314.404 3.286 10 50 DGCA c1ccc(N2CC[C@H](NCc3ccc4c(c3)CCCO4)C2)cc1 1506430043 WVVJNURNQFUVJE-SFHVURJKSA-N 308.425 3.380 10 50 DGCA CC(C)(C)c1cnc(NC(=O)NCCc2ccc(N)cc2)s1 841129855 HNEXJMJECNSRMY-UHFFFAOYSA-N 318.446 3.387 10 50 DGCA CN1CCc2cc(CNC(=O)c3c(F)cc(F)cc3F)ccc21 170600624 SKBMXHHVCPMKME-UHFFFAOYSA-N 320.314 3.026 10 50 DGCA CC[C@H](C)OCC(=O)Nc1c(-c2ccccn2)nc2ccccn12 269842509 NTEDUKAACVABRH-ZDUSSCGKSA-N 324.384 3.150 10 50 DGCA Nc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1 110981 ITMYRIULGPPXDB-UHFFFAOYSA-N 318.424 3.139 10 50 DGCA COc1ccc(N2CCN(C(=O)CC3CCCCC3)CC2)cc1 200205 YHPAPZQIBIRPDW-UHFFFAOYSA-N 316.445 3.314 10 50 DGCA CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1 3894737 IETWCRRCPURZOC-FOCLMDBBSA-N 305.359 3.415 10 50 DGCA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 239840 NTAMVMMNVKFDKO-UHFFFAOYSA-N 311.790 3.463 10 50 DGCA C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 72115455 JQDQWXPBZFZYJS-MRXNPFEDSA-N 324.424 3.371 10 50 DGCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(C)o1 16246848 WZGQQPFHUKBFPE-DHDCSXOGSA-N 311.297 3.302 10 50 DGCA CC(C)CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 5497866 QZAYGQDTFFFKQQ-KPKJPENVSA-N 322.411 3.452 10 50 DGCA O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1 8768551 FHFOIJIHMRSLEP-UHFFFAOYSA-N 316.700 3.190 10 50 DGCA biogenic Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1C2=O 3845294 VIQMJMDPUIBXQO-UHFFFAOYSA-N 316.154 3.115 10 50 DGCA biogenic CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 100037431 PPHQWNUDYSYGAC-LFIBNONCSA-N 307.309 3.401 10 50 DGCA C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccccc3O)S2)C1 462422 XGCXCIWVIAZGSB-RLIURORJSA-N 302.399 3.094 10 50 DGCA O=C(O)CCc1ccc(-c2cccs2)n1C[C@H]1CCCO1 1050953 CVJKRURZMFGANZ-CYBMUJFWSA-N 305.399 3.413 10 50 DGCA c1cc2c(cc1N1CCC(N3CCc4nocc4C3)CC1)CCC2 670471964 XWBQGOYEGQFSPR-UHFFFAOYSA-N 323.440 3.190 10 50 DGCA CC(=O)Nc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 4745440 XJQYKMYXUPQIKC-PDGQHHTCSA-N 319.364 3.451 10 50 DGCA CCOc1ccc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)cc1 4942484 GRQJCSLIFBXUNZ-GOSISDBHSA-N 324.380 3.489 10 50 DGCA O=S1(=O)Nc2cc3nc4ccccc4nc3c3cccc1c23 100710758 LLUNQKDRHSUYCU-UHFFFAOYSA-N 307.334 3.050 10 50 DGCA COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1O 1113643 YYKSVRZURBZQHT-QPEQYQDCSA-N 323.439 3.258 10 50 DGCA CC(C)c1nn(C)cc1NC(=O)NCc1cccc(Cl)c1O 931246359 HAALDOBPQWPCAE-UHFFFAOYSA-N 322.796 3.224 10 50 DGCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccccc1 15659720 XVQIMXCPWMKAOY-WJDWOHSUSA-N 306.321 3.191 10 50 DGCA CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(O)cc1C 22023085 NLNKMKLVCXVDQX-WJDWOHSUSA-N 307.353 3.419 10 50 DGCA CC[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1O 156379880 AKSOBNMHDXITFI-DOTOQJQBSA-N 316.445 3.224 10 50 DGCA Cc1c(C)c(C)c(C=C2C(=O)OC(C)(C)OC2=O)c(C)c1C 139345 CRCZCFKCFKICPA-UHFFFAOYSA-N 302.370 3.448 10 50 DGCA CN1C(=O)N=C(O)/C(=C\c2cccc(Oc3ccccc3)c2)C1=O 1256430 AKCHFOGVWSRYOF-RVDMUPIBSA-N 322.320 3.411 10 50 DGCA