0 B14R1.419 B(c1ccc(cc1)\C=C\C(=O)O)(O)O H53103 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.419 B(c1ccc(cc1)\C=C\C(=O)O)(O)O L15586 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.419 CC(=O)c1ccc(cc1)OCC(=O)O L00426 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.419 CC(C)c1ccc(cc1)\C=C\C(=O)O A15156 [0,0,0,0,0,0|3,0,0]=3 4 B14R1.419 CN(C)c1ccc(cc1)\C=C\C(=O)O B21549 [0,0,0,0,0,0|2,0,1]=3 5 B14R1.419 c1cc(ccc1CCC(=O)O)C(=O)O A15081 [0,0,0,0,0,0|1,0,3]=4 6 B14R1.419 c1cc(ccc1CCC(=O)O)[N+](=O)[O-] H33663 [0,0,0,0,0,0|0,0,2]=2 7 B14R1.419 c1cc(ccc1\C=C\C(=O)O)C(=O)O A14796 [0,0,0,0,0,0|1,0,1]=2 8 B14R1.419 c1cc(ccc1\C=C\C(=O)O)[N+](=O)[O-] A12990 [0,0,0,0,0,0|0,0,0]=0 9 B14R1.419 c1cc(ccc1\C=C\[N+](=O)[O-])[N+](=O)[O-] L12362 [0,0,0,0,0,0|1,0,1]=2 10 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O A13870 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O H60144 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.3 c1cc(ccc1C=O)OCC(=O)O A13960 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.3 c1cc(ccc1CCC(=O)O)C=O H33873 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.74 CN(C)c1ccc(cc1)\C=C\C=O B24741 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.74 c1cc(ccc1\C=C\C=O)[N+](=O)[O-] A11467 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.74 c1cc(ccc1\C=C\CO)[N+](=O)[O-] A10338 [1,0,0,0,0,0|0,0,1]=2 17 B15R1.495 c1cc(ccc1CC(C(=O)O)N)[N+](=O)[O-] H63067 [0,1,0,0,0,0|0,0,2]=3 18 B15R1.495 c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-] H27067 [0,1,0,0,0,0|0,0,2]=3 19 B15R1.495 c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-] L12709 [0,1,0,0,0,0|0,0,2]=3 20 B15R1.495 c1cc(ccc1C[C@H](C(=O)O)N)[N+](=O)[O-] H26959 [0,1,0,0,0,0|0,0,2]=3 21 B15R1.495 c1cc(ccc1NC(=O)C(=O)O)[N+](=O)[O-] L00325 [0,1,0,0,0,0|1,0,0]=2 22 B15R1.498 c1cc(ccc1\C=C\C(=O)O)C(F)(F)F L02771 [0,1,0,0,0,0|3,0,0]=4 23 B15R1.956 B(c1ccc(cc1)\C=C\C(=O)OC)(O)O H53292 [0,1,0,0,0,0|1,0,2]=4 24 B15R1.956 c1cc(ccc1COC(=O)CBr)[N+](=O)[O-] L08058 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.956 c1cc(ccc1[N+](=O)[O-])OCC(=O)NN A15505 [0,1,0,0,0,0|2,0,1]=4 26 B15R2.7174 c1cc2c(cc1[N+](=O)[O-])NC(=O)CO2 H61044 [0,0,0,1,0,0|2,0,1]=4 27 B15R2.7174 c1cc2c(cc1[N+](=O)[O-])NC(=O)CS2 H61031 [0,0,0,1,0,0|2,0,1]=4 28 B15R2.7174 c1cc2c(cc1[N+](=O)[O-])nc(cn2)Cl H64623 [0,0,0,1,0,0|3,0,0]=4 29 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] B21183 [0,0,0,0,1,0|1,0,1]=3 30 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] A13539 [0,0,0,0,1,0|2,0,0]=3 31 B13R1.585 CC(=O)Nc1ccc(cn1)[N+](=O)[O-] L20005 [0,0,0,0,1,0|3,0,0]=4 32 B13R1.585 CC(=O)Oc1ccc(cc1)[N+](=O)[O-] L00314 [0,0,0,0,1,0|2,0,0]=3 33 B13R1.585 c1cc(ccc1CC(=O)O)[N+](=O)[O-] A15901 [0,0,0,0,1,0|0,0,1]=2 34 B13R1.585 c1cc(ccc1NC(=S)N)[N+](=O)[O-] L09331 [0,0,0,0,1,0|2,1,0]=4 35 B13R1.585 c1cc(ccc1[N+](=O)[O-])OC(=O)Cl A18742 [0,0,0,0,1,0|2,0,0]=3 36 B15R1.499 CC(=O)Nc1ccc(cc1)\C=C\C(=O)O L05292 [0,0,0,0,0,1|2,0,0]=3 37 B15R1.499 CC(=O)Oc1ccc(cc1)\C=C\C(=O)O A12979 [0,0,0,0,0,1|2,0,0]=3 38 B15R1.499 c1cc(ccc1\C=C\C(=O)O)OC(F)F H32170 [0,0,0,0,0,1|3,0,0]=4 39 B15R1.1080 c1cc(ccc1\C=N\OC(=O)Cl)[N+](=O)[O-] L19753 [0,0,0,0,0,1|2,0,0]=3 40 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl L05321 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O A17605 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A13337 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.21 c1cc(ccc1\C=C\C(=O)N)Cl L11406 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A11503 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A15304 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A16707 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O A15167 [2,0,0,0,0,0|0,0,1]=3 48 B12R1.71 COc1ccc(cc1)\C=C\C=O A12839 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] H54504 [2,0,0,0,0,0|0,0,2]=4 50 B12R1.113 c1cc(ccc1N=C=O)[N+](=O)[O-] A11194 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.113 c1cc(ccc1[N+](=O)[O-])OC=O L00316 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.113 c1cc(ccc1\C=N\O)[N+](=O)[O-] A15525 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.113 c1cc(ccc1\C=N\O)[N+](=O)[O-] L19376 [2,0,0,0,0,0|1,0,0]=3 54 B14R1.5 COC(=O)\C=C\c1ccc(cc1)C#N H50742 [1,1,0,0,0,0|2,0,0]=4 55 B14R1.142 CCOc1ccc(cc1)\C=C\C(=O)O L06324 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.3653 COc1ccc(cc1O)\C=C\C(=O)O A10482 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.124 Cc1cc(ccc1NC(=O)C)[N+](=O)[O-] B22054 [0,1,0,0,1,0|2,0,0]=4 58 B16R1.4542 c1cc(ccc1C(=O)NCC(=O)O)[N+](=O)[O-] A12347 [0,1,0,0,0,1|0,0,1]=3 59 B16R1.6949 COC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N L09390 [0,2,0,0,0,0|0,0,2]=4 60 B16R1.925 CCOC(=O)\C=C\c1ccc(cc1)[N+](=O)[O-] A13196 [0,2,0,0,0,0|0,0,0]=2 61 B14R1.4450 Cc1c(cccc1[N+](=O)[O-])CC(=O)O H64810 [0,0,1,1,0,0|0,0,2]=4 62 B14R1.104 COc1ccc(c(c1)C(=O)O)[N+](=O)[O-] L13346 [0,0,1,1,0,0|1,0,1]=4 63 B14R2.134 COc1ccc2ccc(=O)oc2c1 A15441 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.781 c1cc2cc(ccc2nc1)[N+](=O)[O-] A17212 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38590 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38593 [1,0,0,1,0,0|2,0,0]=4 67 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38609 [1,0,0,1,0,0|2,0,0]=4 68 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39455 [1,0,0,1,0,0|2,0,0]=4 69 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39554 [1,0,0,1,0,0|2,0,0]=4 70 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39568 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39585 [1,0,0,1,0,0|2,0,0]=4 72 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 40387 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 43752 [1,0,0,1,0,0|2,0,0]=4 74 B14R2.24358 c1cc2c(cc1[N+](=O)[O-])C(=O)OC2 B20375 [1,0,0,1,0,0|1,0,1]=4 75 B14R2.601 Cc1nc2ccc(cc2o1)[N+](=O)[O-] B22415 [0,0,0,1,1,0|2,0,0]=4 76 B14R2.601 c1cc2c(cc1[N+](=O)[O-])[nH]c(=O)[nH]2 L16391 [0,0,0,1,1,0|2,0,0]=4 77 B14R2.601 c1cc2c(cc1[N+](=O)[O-])oc(=O)[nH]2 H27796 [0,0,0,1,1,0|1,0,0]=3 78 B16R2.27395 CC(=O)c1cc2cc(ccc2o1)[N+](=O)[O-] L06308 [0,1,0,1,0,0|2,0,0]=4 79 B16R2.27395 c1cc(cc2c1cc([nH]2)C(=O)O)[N+](=O)[O-] H63032 [0,1,0,1,0,0|0,0,0]=2 80 B16R2.27395 c1cc2c(cc1[N+](=O)[O-])cc([nH]2)C(=O)O H66441 [0,1,0,1,0,0|1,0,0]=3 81 B12R1.256 B(c1ccc(cc1)[N+](=O)[O-])(O)O H27767 [0,0,0,0,2,0|1,0,1]=4 82 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O A15239 [0,0,0,0,2,0|2,0,0]=4 83 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] A13877 [0,0,0,0,2,0|1,0,0]=3 84 B12R1.256 c1cc(ccc1C(=O)Cl)[N+](=O)[O-] A12543 [0,0,0,0,2,0|1,0,0]=3 85 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] A11536 [0,0,0,0,2,0|1,0,0]=3 86 B12R1.256 c1cc(ccc1C(=O)O)C(=O)O A12527 [0,0,0,0,2,0|1,0,1]=4 87 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] A14738 [0,0,0,0,2,0|0,0,0]=2 88 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] 42946 [0,0,0,0,2,0|1,0,1]=4 89 B12R1.256 c1cc(ccc1C(=S)N)[N+](=O)[O-] H52140 [0,0,0,0,2,0|1,1,0]=4 90 B12R1.256 c1cc(ccc1[N+](=O)[O-])[N+](=O)[O-] A10293 [0,0,0,0,2,0|1,0,1]=4 91 B12R1.256 c1cc(ncc1[N+](=O)[O-])C(=O)O H64499 [0,0,0,0,2,0|1,0,0]=3 92 B14R1.6355 c1cc(cc(c1)[N+](=O)[O-])\C=C\C(=O)O A12199 [0,0,0,0,1,1|0,0,0]=2 93 B14R1.6355 c1cc(cc(c1)[N+](=O)[O-])\C=C\[N+](=O)[O-] L12304 [0,0,0,0,1,1|1,0,1]=4 94 B16R1.603 c1c(ccc(c1)\C=C\C(=O)O)\C=C\C(=O)O L01141 [0,0,0,0,0,2|1,0,1]=4