0 B15R1.12854 C=C(C)COC1=CC(=C(C=C1)OC)OC Z1578853098 [0,0,0,0,0,0|3,0,0]=3 1 B15R1.12854 COC1=C(C=C(C=C1)/C=C/C(=O)O)OC Z2573653932 [0,0,0,0,0,0|0,0,2]=2 2 B15R1.12854 COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OC Z56862728 [0,0,0,0,0,0|1,0,3]=4 3 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC Z57396496 [0,0,0,0,0,0|0,0,0]=0 4 B15R1.12854 COC1=C(C=C(C=C1)CCN(C)C)OC Z103749396 [0,0,0,0,0,0|3,0,0]=3 5 B15R1.12854 COC1=C(C=C(C=C1)CNC(=O)C)OC Z26441089 [0,0,0,0,0,0|2,0,0]=2 6 B15R1.12854 COC1=C(C=C(C=C1)CNC(C)C)OC Z3244908399 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.12854 COC1=C(C=CC(=C1)OCC(=O)O)C=O Z1508954568 [0,0,0,0,0,0|3,0,0]=3 8 B14R1.42 CCC1=C(C=CC(=C1)OCC(=O)O)Cl Z228583428 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)F Z1201621929 [1,0,0,0,0,0|1,0,2]=4 10 B14R1.42 COC1=C(C=CC(=C1)/C=C/C(=O)O)O Z56782558 [1,0,0,0,0,0|0,0,2]=3 11 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)C)O Z1255442373 [1,0,0,0,0,0|1,0,0]=2 12 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)Cl Z1269146778 [1,0,0,0,0,0|1,0,0]=2 13 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O Z317038020 [1,0,0,0,0,0|0,0,0]=1 14 B14R1.42 COC1=C(C=CC(=C1)CCC(C)N)O Z3324923673 [1,0,0,0,0,0|2,0,1]=4 15 B14R1.42 O=CC1=C(C=CC(=C1)CCC(=O)O)O Z1262519251 [1,0,0,0,0,0|2,0,0]=3 16 B14R1.793 CCNCC1=CC(=C(C=C1)OC)OC Z89283372 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.793 CNCCC1=CC(=C(C=C1)OC)OC Z316170364 [1,0,0,0,0,0|2,0,0]=3 18 B14R1.793 COC1=C(C=C(C=C1)/C=C/C=O)OC Z1251353086 [1,0,0,0,0,0|0,0,2]=3 19 B14R1.793 COC1=C(C=C(C=C1)CCC=O)OC Z1198182687 [1,0,0,0,0,0|0,0,0]=1 20 B14R1.793 COC1=C(C=C(C=C1)CCCN)OC Z336080030 [1,0,0,0,0,0|1,0,1]=3 21 B14R1.793 COC1=C(C=C(C=C1)SCCO)OC Z1251388824 [1,0,0,0,0,0|1,0,1]=3 22 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)Cl Z2311776784 [1,0,0,0,0,0|1,0,2]=4 23 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)F Z2312274789 [1,0,0,0,0,0|1,0,2]=4 24 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)O Z2693271860 [1,0,0,0,0,0|0,0,2]=3 25 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)C)O Z1268633028 [1,0,0,0,0,0|1,0,0]=2 26 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br Z303635158 [1,0,0,0,0,0|1,0,0]=2 27 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Cl Z235345357 [1,0,0,0,0,0|1,0,0]=2 28 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)N Z1251354132 [1,0,0,0,0,0|1,0,0]=2 29 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)O Z317038026 [1,0,0,0,0,0|0,0,0]=1 30 B14R1.3653 COC1=C(C=C(C=C1)OCC(=O)O)C Z1430609738 [1,0,0,0,0,0|1,0,0]=2 31 B16R1.414 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Cl)OC Z2312398330 [0,1,0,0,0,0|0,0,2]=3 32 B16R1.4273 COC1=C(C=C(C=C1)C(N)CC(=O)O)OC Z56895737 [0,1,0,0,0,0|0,0,0]=1 33 B16R1.4273 COC1=C(C=C(C=C1)C(N)CN(C)C)OC Z1222283873 [0,1,0,0,0,0|3,0,0]=4 34 B16R1.4274 COC1=C(C=C(C=C1)CC(C)C(=O)O)OC Z1233159921 [0,1,0,0,0,0|0,0,0]=1 35 B16R1.4276 C=CC(=O)NCC1=CC(=C(C=C1)OC)OC Z440635106 [0,1,0,0,0,0|2,0,0]=3 36 B16R1.4276 CCC(=O)NCC1=CC(=C(C=C1)OC)OC Z26441138 [0,1,0,0,0,0|2,0,0]=3 37 B16R1.4276 CNC(=O)CCC1=CC(=C(C=C1)OC)OC Z30271261 [0,1,0,0,0,0|1,0,0]=2 38 B16R1.4276 COC(=O)/C=C/C1=CC(=C(C=C1)OC)OC Z18296037 [0,1,0,0,0,0|0,0,2]=3 39 B16R1.4276 COC1=C(C=C(C=C1)CNC(=O)CCl)OC Z56891246 [0,1,0,0,0,0|2,0,0]=3 40 B16R1.4746 COC1=C(C=CC(=C1)OCC(=O)O)[N+](=O)[O-] Z852425850 [0,1,0,0,0,0|3,0,0]=4 41 B16R1.9381 CCOC1=C(C=C(C=C1)/C=C/C(=O)O)OC Z2315575629 [0,1,0,0,0,0|0,0,2]=3 42 B16R1.10273 CCOC1=C(C=CC(=C1)/C=C/C(=O)O)OC Z2312398438 [0,1,0,0,0,0|0,0,2]=3 43 B16R1.20040 C=C(C)CNC1=CC(=C(C=C1F)OC)OC Z1147535804 [0,1,0,0,0,0|3,0,0]=4 44 B16R1.20040 COC1=C(C=C(C(=C1)C)CSC(=N)N)OC Z48820356 [0,1,0,0,0,0|3,0,0]=4 45 B16R2.477 CC(=O)CCC1=CC2=C(C=C1)OCCO2 Z1083021662 [0,0,0,1,0,0|1,0,0]=2 46 B16R2.477 NC(=NCC1=CC2=C(C=C1)OCCO2)N Z1127401859 [0,0,0,1,0,0|3,0,0]=4 47 B16R2.477 NC(=O)CSC1=CC2=C(C=C1)OCCO2 Z25044714 [0,0,0,1,0,0|2,0,0]=3 48 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=C1)OCCO2 Z2942851901 [0,0,0,1,0,0|0,0,2]=3 49 B16R2.477 O=C(O)CCC1=CC2=C(C=C1)CCOC2 Z2732880505 [0,0,0,1,0,0|3,0,0]=4 50 B16R2.477 O=C(O)CCC1=CC2=C(C=C1)OCCO2 Z178955386 [0,0,0,1,0,0|0,0,0]=1 51 B16R2.477 O=C(O)CCC1=NC2=C(C=C1)CCCN2 Z1508922845 [0,0,0,1,0,0|3,0,0]=4 52 B16R2.477 O=C(O)COC1=CC2=C(C=C1)CCCC2 Z57182197 [0,0,0,1,0,0|3,0,0]=4 53 B16R2.477 O=C(O)CSC1=CC2=C(C=C1)OCCO2 Z55903767 [0,0,0,1,0,0|1,0,0]=2 54 B16R2.1461 COC1=C(C=C2CC(=O)OCC2=C1)OC Z1509585501 [0,0,0,1,0,0|2,0,0]=3 55 B16R2.1461 COC1=C(C=C2NC(=O)C=CC2=C1)OC Z1209414489 [0,0,0,1,0,0|1,0,2]=4 56 B16R2.1461 COC1=C(C=C2NC(=O)C=NC2=C1)OC Z979752442 [0,0,0,1,0,0|2,0,1]=4 57 B16R2.6392 COC1=C(C=C(C=C1)C2CC(C2)O)OC Z1383482815 [0,0,0,1,0,0|1,0,1]=3 58 B16R2.97934 CN1N=CC2=C1C=C(C=C2)CCC(=O)O Z2732845578 [0,0,0,1,0,0|3,0,0]=4 59 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)N)OC Z33546771 [0,0,0,0,1,0|1,0,0]=2 60 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)O)OC Z56924495 [0,0,0,0,1,0|0,0,0]=1 61 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC Z235363001 [0,0,0,0,1,0|1,1,0]=3 62 B14R1.3651 COC1=C(C=C(C=C1)NC(=N)N)OC Z3785974910 [0,0,0,0,1,0|3,0,0]=4 63 B14R1.3651 COC1=C(C=C(C=C1)NC(=O)C)OC Z30849291 [0,0,0,0,1,0|2,0,0]=3 64 B14R1.3651 COC1=C(C=C(C=C1)NC(=S)C)OC Z56757210 [0,0,0,0,1,0|2,1,0]=4 65 B14R1.3651 COC1=C(C=C(C=C1)NC(=S)N)OC Z235362229 [0,0,0,0,1,0|2,1,0]=4 66 B16R1.4275 COC1=C(C=C(C=C1)CCCC(=O)O)OC Z336285962 [0,0,0,0,0,1|0,0,0]=1 67 B16R1.4275 COC1=C(C=C(C=C1)SCCC(=O)O)OC Z1238558898 [0,0,0,0,0,1|0,0,0]=1 68 B13R1.511 CC(=O)CCC1=CC(=C(C=C1)O)F Z1083021660 [2,0,0,0,0,0|2,0,0]=4 69 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C Z445853388 [2,0,0,0,0,0|0,0,0]=2 70 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Cl Z185153284 [2,0,0,0,0,0|1,0,0]=3 71 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)N)C Z18468931 [2,0,0,0,0,0|2,0,0]=4 72 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C Z56820874 [2,0,0,0,0,0|1,0,0]=3 73 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)N)C Z24835957 [2,0,0,0,0,0|2,0,0]=4 74 B13R1.511 CC1=C(C=C(C=C1)SCC(=O)O)C Z55903758 [2,0,0,0,0,0|1,0,0]=3 75 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)N)Br Z1359984894 [2,0,0,0,0,0|2,0,0]=4 76 B13R1.511 CC1=C(C=CC(=C1)CCC(=O)O)Br Z1269176292 [2,0,0,0,0,0|1,0,0]=3 77 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Br Z57204188 [2,0,0,0,0,0|2,0,0]=4 78 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)Cl Z56823032 [2,0,0,0,0,0|2,0,0]=4 79 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)O)F Z1262524725 [2,0,0,0,0,0|2,0,0]=4 80 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)O)O Z240113804 [2,0,0,0,0,0|0,0,2]=4 81 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Br)Cl Z57039611 [2,0,0,0,0,0|2,0,0]=4 82 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)Cl Z237515176 [2,0,0,0,0,0|2,0,0]=4 83 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)Cl)F Z838969840 [2,0,0,0,0,0|2,0,0]=4 84 B13R1.511 O=C(O)CCC1=CC(=C(C=C1)O)Cl Z839165388 [2,0,0,0,0,0|1,0,0]=3 85 B13R1.575 CNCCC1=CC(=C(C=C1)O)OC Z4437707719 [2,0,0,0,0,0|2,0,0]=4 86 B13R1.643 CCC1=CC(=CC=C1)OCC(=O)O Z56910356 [2,0,0,0,0,0|2,0,0]=4 87 B13R1.643 CNC1=CC(=CC=C1)CCC(=O)O Z1623872023 [2,0,0,0,0,0|1,0,0]=3 88 B13R1.643 COC1=CC(=CC=C1)/C=C/C(=O)O Z104494816 [2,0,0,0,0,0|0,0,2]=4 89 B13R1.643 COC1=CC(=CC=C1)CCC(=O)O Z169916350 [2,0,0,0,0,0|0,0,0]=2 90 B13R1.643 COC1=CC(=CC=C1)CNC(=O)N Z198194944 [2,0,0,0,0,0|2,0,0]=4 91 B13R1.643 COC1=CC(=CC=C1)NCC(=O)N Z104592028 [2,0,0,0,0,0|2,0,0]=4 92 B13R1.643 COC1=CC(=CC=C1)NCC(=O)O Z274534684 [2,0,0,0,0,0|1,0,0]=3 93 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O Z56782975 [2,0,0,0,0,0|1,0,0]=3 94 B13R1.643 COC1=CC(=CC=C1)SCC(=O)N Z290601360 [2,0,0,0,0,0|2,0,0]=4 95 B13R1.643 COC1=CC(=CC=C1)SCC(=O)O Z239812082 [2,0,0,0,0,0|1,0,0]=3 96 B13R1.643 COC1=CC(=CN=C1)CCC(=O)O Z1255460812 [2,0,0,0,0,0|1,0,0]=3 97 B13R1.643 COC1=NC(=CC=C1)CCC(=O)O Z3379430802 [2,0,0,0,0,0|1,0,0]=3 98 B13R1.643 O=CC1=CC=CC(=C1)CCC(=O)O Z1198176540 [2,0,0,0,0,0|2,0,0]=4 99 B13R1.386 C=CCC1=CC(=C(C=C1)OC)OC Z1255398904 [2,0,0,0,0,0|0,0,1]=3 100 B13R1.386 CCNC1=CC(=C(C=C1)OC)OC Z286407122 [2,0,0,0,0,0|1,0,1]=4 101 B13R1.386 CNCC1=CC(=C(C=C1)OC)OC Z56173976 [2,0,0,0,0,0|1,0,1]=4 102 B13R1.386 COC1=C(C=C(C=C1)/C=N/O)OC Z49568350 [2,0,0,0,0,0|1,0,1]=4 103 B13R1.386 COC1=C(C=C(C=C1)CC#N)OC Z104477288 [2,0,0,0,0,0|1,0,1]=4 104 B13R1.386 COC1=C(C=C(C=C1)CC=O)OC Z1020779916 [2,0,0,0,0,0|0,0,0]=2 105 B13R1.386 COC1=C(C=C(C=C1)CCN)OC Z104477298 [2,0,0,0,0,0|1,0,0]=3 106 B13R1.386 COC1=C(C=C(C=C1)CCO)OC Z397587464 [2,0,0,0,0,0|0,0,0]=2 107 B13R1.577 COC1=C(C=C(C=C1)CCC=O)C Z2311407327 [2,0,0,0,0,0|0,0,0]=2 108 B13R1.577 COC1=C(C=C(C=C1)CCC=O)F Z993017856 [2,0,0,0,0,0|1,0,0]=3 109 B13R1.577 COC1=C(C=C(C=C1)CCCN)O Z3599685490 [2,0,0,0,0,0|1,0,1]=4 110 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)N Z62734438 [2,0,0,0,0,0|2,0,0]=4 111 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O Z85929397 [2,0,0,0,0,0|1,0,0]=3 112 B13R1.3 CCC1=CC=C(C=C1)OCC(=O)O Z56824185 [2,0,0,0,0,0|2,0,0]=4 113 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O Z56931888 [2,0,0,0,0,0|0,0,2]=4 114 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O Z57100824 [2,0,0,0,0,0|0,0,2]=4 115 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N Z33545386 [2,0,0,0,0,0|1,0,0]=3 116 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O Z104486868 [2,0,0,0,0,0|0,0,0]=2 117 B13R1.3 COC1=CC=C(C=C1)CNC(=O)N Z198194812 [2,0,0,0,0,0|2,0,0]=4 118 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O Z57229609 [2,0,0,0,0,0|1,0,0]=3 119 B13R1.3 COC1=CC=C(C=C1)SCC(=O)N Z51312064 [2,0,0,0,0,0|2,0,0]=4 120 B13R1.3 COC1=CC=C(C=C1)SCC(=O)O Z56770877 [2,0,0,0,0,0|1,0,0]=3 121 B13R1.3 COC1=NC=C(C=C1)CCC(=O)O Z1255504957 [2,0,0,0,0,0|1,0,0]=3 122 B13R1.3 CSC1=CC=C(C=C1)CCC(=O)O Z363916360 [2,0,0,0,0,0|0,1,0]=3 123 B13R1.3 N#CC1=CC=C(C=C1)CCC(=O)O Z178961286 [2,0,0,0,0,0|2,0,0]=4 124 B13R1.3 NCC1=CC=C(C=C1)CCC(=O)O Z3301412701 [2,0,0,0,0,0|2,0,0]=4 125 B13R1.3 O=C(O)CCC1=CC=C(C=C1)CO Z1262512949 [2,0,0,0,0,0|2,0,0]=4 126 B13R1.3 O=CC1=CC=C(C=C1)CCC(=O)O Z1954800611 [2,0,0,0,0,0|2,0,0]=4 127 B15R1.392 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)O Z56911947 [1,1,0,0,0,0|0,0,2]=4 128 B15R1.392 COC1=C(C(=CC(=C1)/C=C/C(=O)O)Cl)O Z56957444 [1,1,0,0,0,0|0,0,2]=4 129 B15R1.4038 COC1=C(C=CC(=C1)CC(N)C(=O)O)O Z3212891663 [1,1,0,0,0,0|0,0,0]=2 130 B15R1.4039 COC(=O)/C=C/C1=CC(=C(C=C1)O)OC Z18704892 [1,1,0,0,0,0|0,0,2]=4 131 B15R1.1195 CNCCCC1=CC(=C(C=C1)OC)OC Z111542058 [1,1,0,0,0,0|1,0,1]=4 132 B15R1.1195 COC1=C(C=C(C=C1)CCNC=O)OC Z1258520969 [1,1,0,0,0,0|0,0,0]=2 133 B15R1.1195 COCCNC1=CC(=C(C=C1)OC)OC Z266654348 [1,1,0,0,0,0|1,0,1]=4 134 B15R1.3769 COC1=C(C=C(C=C1)C/C(=N/O)/N)OC Z285225850 [1,1,0,0,0,0|1,0,1]=4 135 B15R1.3769 COC1=C(C=C(C=C1)CC(=O)NO)OC Z59182048 [1,1,0,0,0,0|1,0,1]=4 136 B15R1.3769 COC1=C(C=C(C=C1)CC(C)CN)OC Z1233159532 [1,1,0,0,0,0|1,0,1]=4 137 B15R1.12140 CCOC1=C(C=C(C=C1)/C=C/C=O)OC Z2607874374 [1,1,0,0,0,0|0,0,2]=4 138 B15R1.3776 COC1=C(C=C(C=C1)C(N)CC(=O)N)Br Z3300198894 [1,1,0,0,0,0|2,0,0]=4 139 B15R1.3776 COC1=C(C=C(C=C1)C(N)CC(=O)O)Br Z729249850 [1,1,0,0,0,0|1,0,0]=3 140 B15R1.3777 COC1=C(C=C(C=C1)CC(C)C(=O)O)F Z756390470 [1,1,0,0,0,0|1,0,0]=3 141 B15R1.3779 CNC(=O)CCC1=CC(=C(C=C1)OC)Br Z316420276 [1,1,0,0,0,0|2,0,0]=4 142 B15R1.3779 COC(=O)CCC1=CC(=C(C=C1)OC)F Z210408074 [1,1,0,0,0,0|1,0,0]=3 143 B15R1.5380 CC1=C(C=CC(=C1)CCC(=O)O)B(O)O Z1509020335 [1,1,0,0,0,0|2,0,0]=4 144 B15R1.5380 CC1=C(C=CC(=C1)OCC(=O)O)C(C)C Z56900770 [1,1,0,0,0,0|2,0,0]=4 145 B15R1.9550 CCOC1=C(C=C(C=C1)/C=C/C(=O)O)C Z1509725979 [1,1,0,0,0,0|0,0,2]=4 146 B15R1.1799 COC1=C(C=C(C(=C1)Br)CC(=O)N)OC Z94599756 [0,1,0,0,1,0|1,0,0]=3 147 B15R1.1799 COC1=C(C=C(C(=C1)Br)CC(=O)O)OC Z94598480 [0,1,0,0,1,0|0,0,0]=2 148 B15R1.1799 COC1=C(C=C(C(=C1)C)NC(=O)C)OC Z29659913 [0,1,0,0,1,0|2,0,0]=4 149 B15R1.9548 CCOC1=C(C=C(C=C1)NC(=O)C)OC Z52301378 [0,1,0,0,1,0|2,0,0]=4 150 B15R1.12853 COC1=C(C=C(C=C1)C(C)C(=O)O)OC Z792377328 [0,1,0,0,1,0|0,0,0]=2 151 B15R1.12853 COC1=C(C=C(C=C1)C(N)C(=O)O)OC Z317024648 [0,1,0,0,1,0|0,0,0]=2 152 B15R1.13088 COC1=C(C(=C(C=C1)CC(=O)O)Cl)OC Z1345144631 [0,1,0,0,1,0|0,0,0]=2 153 B17R1.4640 COC1=C(C=C(C=C1)C(=O)/C=C/C(=O)O)OC Z1245788426 [0,1,0,0,0,1|0,0,2]=4 154 B17R1.4640 COC1=C(C=C(C=C1)C(=O)CCC(=O)O)OC Z57036284 [0,1,0,0,0,1|0,0,0]=2 155 B17R1.4640 COC1=C(C=C(C=C1)C(=O)NCC(=O)O)OC Z56774107 [0,1,0,0,0,1|0,0,1]=3 156 B17R1.4640 COC1=C(C=C(C=C1)C(=O)OCC(=O)N)OC Z18491823 [0,1,0,0,0,1|1,0,1]=4 157 B17R1.4699 COC1=C(C=C(C=C1)CSCC(=O)O)[N+](=O)[O-] Z356290464 [0,1,0,0,0,1|2,0,0]=4 158 B17R1.47977 C=C(C)CN(C)CC1=CC(=C(C=C1)OC)OC Z142833832 [0,1,0,0,0,1|2,0,0]=4 159 B17R1.47977 COC1=C(C=C(C=C1)CN(C)CC(C)O)OC Z976648708 [0,1,0,0,0,1|1,0,1]=4 160 B17R1.157435 COC1=C(C=C(C(=C1)C)CSCC(=O)O)OC Z19691733 [0,1,0,0,0,1|0,0,0]=2 161 B17R1.157928 COC1=C(C=C(C=C1)CCNC(=O)CCl)OC Z56862631 [0,1,0,0,0,1|1,0,0]=3 162 B17R1.157928 COC1=C(C=C(C=C1)CCNC(=S)NN)OC Z55928954 [0,1,0,0,0,1|1,1,0]=4 163 B17R1.4301 CCOC1=C(C(=CC(=C1)/C=C/C(=O)O)Cl)OC Z2312397733 [0,2,0,0,0,0|0,0,2]=4 164 B17R1.14651 CCC(=O)NCC1=CC(=C(C(=C1)Br)OC)OC Z976237112 [0,2,0,0,0,0|2,0,0]=4 165 B17R1.14655 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O Z2315575393 [0,2,0,0,0,0|0,0,2]=4 166 B17R1.14655 COC1=CC(=CC(=C1OC)OC)CCC(=O)O Z56922108 [0,2,0,0,0,0|0,0,0]=2 167 B17R1.81068 CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)O)OC Z2312398445 [0,2,0,0,0,0|0,0,2]=4 168 B17R1.4751 COC(=O)C1=C(C=CC(=C1)CNC(=O)C)OC Z30361222 [0,2,0,0,0,0|2,0,0]=4 169 B17R1.48012 COC(=O)CC(N)C1=CC(=C(C=C1)OC)OC Z147652238 [0,2,0,0,0,0|0,0,0]=2 170 B17R1.4638 COC1=C(C=C(C=C1)CN(C)C(=O)CCl)OC Z90122626 [0,2,0,0,0,0|2,0,0]=4 171 B17R1.47979 COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)O)OC Z2583140609 [0,2,0,0,0,0|0,0,2]=4 172 B17R1.47979 COC1=C(C=C(C=C1)CC(CN)C(=O)O)OC Z4358108366 [0,2,0,0,0,0|0,0,0]=2 173 B17R1.4860 COC1=C(C=C(C=C1)CNC(=O)CSC)OC Z26440384 [0,2,0,0,0,0|1,1,0]=4 174 B17R1.4860 COCC(=O)NCC1=CC(=C(C=C1)OC)OC Z32613058 [0,2,0,0,0,0|1,0,0]=3 175 B17R1.8588 CCOC1=C(C=C(C=C1)/C=C/C(=O)OC)OC Z17097974 [0,2,0,0,0,0|0,0,2]=4 176 B17R1.48215 C=CC(=O)NCC1=C(C(=C(C=C1)OC)OC)C Z3024767719 [0,2,0,0,0,0|2,0,0]=4 177 B17R1.164005 C=CC(=O)NCC1=CC(=C(C=C1F)OC)OC Z3490365827 [0,2,0,0,0,0|2,0,0]=4 178 B17R1.164005 CCC(=O)NCC1=C(C=C(C(=C1)OC)OC)Br Z1048532504 [0,2,0,0,0,0|2,0,0]=4 179 B17R1.5264 COC1=C(C=CC(=C1)/C=C/C(=O)O)OC(C)C Z2311574844 [0,2,0,0,0,0|0,0,2]=4 180 B17R1.5264 COC1=C(C=CC(=C1)/C=C/C(=O)O)OC(F)F Z2312943199 [0,2,0,0,0,0|0,0,2]=4 181 B17R1.11913 CCOC1=C(C=C(C=C1)/C=C/C(=O)O)OCC Z2315583047 [0,2,0,0,0,0|0,0,2]=4 182 B17R1.22511 C=CCOC1=C(C=C(C=C1)/C=C/C(=O)O)OC Z2312401538 [0,2,0,0,0,0|0,0,2]=4 183 B17R1.22511 CCCOC1=C(C=C(C=C1)/C=C/C(=O)O)OC Z2311776613 [0,2,0,0,0,0|0,0,2]=4 184 B17R1.22511 COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC#N Z2315575977 [0,2,0,0,0,0|0,0,2]=4 185 B17R1.164004 COC1=CC(=C(C=C1/C=C/C(=O)O)OC)OC Z2311574278 [0,2,0,0,0,0|0,0,2]=4 186 B17R1.164004 COC1=CC(=C(C=C1OC)OC)CNC(=O)C Z88268819 [0,2,0,0,0,0|2,0,0]=4 187 B17R1.48219 COC1=C(C(=C(C=C1)CCC(=O)O)OC)OC Z317037946 [0,2,0,0,0,0|0,0,0]=2 188 B15R2.1754 COC1=C(C=C2NC(=O)CCC2=C1)N Z424827182 [1,0,0,1,0,0|2,0,0]=4 189 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 Z56795046 [1,0,0,1,0,0|1,0,0]=3 190 B15R2.7688 CC(O)CCC1=CC2=C(C=C1)OCO2 Z335245112 [1,0,0,1,0,0|1,0,1]=4 191 B15R2.7688 O=C(O)/C=C/C1=CC2=C(C=C1)OCO2 Z56789057 [1,0,0,1,0,0|0,0,2]=4 192 B15R2.7688 O=C(O)C#CC1=CC2=C(C=C1)OCO2 Z1255435161 [1,0,0,1,0,0|0,0,2]=4 193 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)CCC2 Z1209423865 [1,0,0,1,0,0|1,0,0]=3 194 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OC=N2 Z1813194737 [1,0,0,1,0,0|1,0,1]=4 195 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 Z448237234 [1,0,0,1,0,0|1,0,0]=3 196 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCO2 Z185153432 [1,0,0,1,0,0|0,0,0]=2 197 B15R2.7688 O=C(O)COC1=CC2=C(C=C1)CCC2 Z56900785 [1,0,0,1,0,0|2,0,0]=4 198 B15R2.7688 O=C(O)CSC1=CC2=C(C=C1)CCC2 Z85927507 [1,0,0,1,0,0|2,0,0]=4 199 B15R2.117 COC1=C(C=C2CNCCC2=C1)OC Z57052854 [1,0,0,1,0,0|2,0,0]=4 200 B15R2.352 NCCCC1=CC2=C(C=C1)OCCO2 Z1416200904 [1,0,0,1,0,0|1,0,1]=4 201 B15R2.352 O=C/C=C/C1=CC2=C(C=C1)OCCO2 Z1251359592 [1,0,0,1,0,0|0,0,2]=4 202 B15R2.352 O=CCCC1=CC2=C(C=C1)OCCO2 Z1198337445 [1,0,0,1,0,0|0,0,0]=2 203 B15R2.2115 COC1=C(C2=C(C=C1)CCNC2)OC Z1224524471 [1,0,0,1,0,0|2,0,0]=4 204 B15R2.21574 COC1=C(C=C2C(=C1)CCC2N)OC Z3244816235 [1,0,0,1,0,0|1,0,1]=4 205 B15R2.1668 CC(=O)NC1=CC2=C(C=C1)OCCO2 Z27668246 [0,0,0,1,1,0|2,0,0]=4 206 B15R2.1668 NC(=O)NC1=CC2=C(C=C1)OCCO2 Z56904667 [0,0,0,1,1,0|2,0,0]=4 207 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)CCCC2 Z57985365 [0,0,0,1,1,0|2,0,0]=4 208 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)OCCO2 Z56921840 [0,0,0,1,1,0|0,0,0]=2 209 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)SCCC2 Z1509034411 [0,0,0,1,1,0|1,1,0]=4 210 B15R2.9245 CN1CCC2=C1C=CC(=C2)CC(=O)O Z978942578 [0,0,0,1,1,0|2,0,0]=4 211 B17R2.2408 COC1=C(C=C(C=C1)C2CNC(=O)C2)OC Z1270255805 [0,0,0,1,0,1|1,0,0]=3 212 B17R2.5669 O=C(O)CCCC1=CC2=C(C=C1)CCCC2 Z336286018 [0,0,0,1,0,1|2,0,0]=4 213 B17R2.5669 O=C(O)CCSC1=CC2=C(C=C1)OCCO2 Z103113990 [0,0,0,1,0,1|0,0,0]=2 214 B17R2.5669 O=C(O)CNCC1=CC2=C(C=C1)OCCO2 Z1184858182 [0,0,0,1,0,1|0,0,0]=2 215 B17R2.65806 COC1=C(C=C2C(=C1)NN=C2C(=O)O)OC Z2050118706 [0,0,0,1,0,1|1,0,1]=4 216 B17R2.388708 COC1=C(C=C2CC(=O)NCCC2=C1)OC Z381392288 [0,0,0,1,0,1|1,0,0]=3 217 B17R2.410720 COC1=C(C=C(C=C1)COCC2CO2)OC Z56346894 [0,0,0,1,0,1|1,0,1]=4 218 B17R2.40403 CC(=O)NCC1=CC2=C(OCCO2)C(=C1)Cl Z383753836 [0,1,0,1,0,0|2,0,0]=4 219 B17R2.40403 O=C(O)/C=C/C1=CC2=C(OCCO2)C(=C1)Br Z2587930936 [0,1,0,1,0,0|0,0,2]=4 220 B17R2.40403 O=C(O)/C=C/C1=CC2=C(OCCO2)C(=C1)Cl Z2312398708 [0,1,0,1,0,0|0,0,2]=4 221 B17R2.139606 COC1=C(C=C2C(=CC(=O)OC2=C1)C)OC Z56756111 [0,1,0,1,0,0|0,0,2]=4 222 B17R2.1733 COC1=C(C=C2CC(CC2=C1)C(=O)O)OC Z2182038045 [0,1,0,1,0,0|0,0,0]=2 223 B17R2.1733 COC1=C(C=C2NC(=CC2=C1)C(=O)O)OC Z274771760 [0,1,0,1,0,0|0,0,2]=4 224 B17R2.9167 CC(SC1=CC2=C(C=C1)OCCO2)C(=O)N Z25044422 [0,1,0,1,0,0|2,0,0]=4 225 B17R2.9167 CC(SC1=CC2=C(C=C1)OCCO2)C(=O)O Z56279644 [0,1,0,1,0,0|1,0,0]=3 226 B17R2.9167 O=C(O)C(=O)NC1=CC2=C(C=C1)OCCO2 Z424779362 [0,1,0,1,0,0|1,0,1]=4 227 B17R2.556 C=CC(=O)NCC1=CC2=C(C=C1)OCCO2 Z799940976 [0,1,0,1,0,0|2,0,0]=4 228 B17R2.556 CCC(=O)NCC1=CC2=C(C=C1)OCCO2 Z27541665 [0,1,0,1,0,0|2,0,0]=4 229 B17R2.556 COC(=O)/C=C/C1=CC2=C(C=C1)OCCO2 Z17054840 [0,1,0,1,0,0|0,0,2]=4 230 B17R2.289413 NC(=O)CSC1=CC2=C(C=C1)OCCCO2 Z18213058 [0,1,0,1,0,0|2,0,0]=4 231 B17R2.289413 O=C(O)/C=C/C1=CC2=C(C=C1)OCCCO2 Z2315585257 [0,1,0,1,0,0|0,0,2]=4 232 B17R2.289413 O=C(O)CCC1=CC2=C(C=C1)OCCCO2 Z600417422 [0,1,0,1,0,0|0,0,0]=2 233 B17R2.19729 O=C(O)CCC1=CC2=C(C=C1)OCC(=O)N2 Z2049904771 [0,1,0,1,0,0|1,0,1]=4 234 B13R1.52 COC1=C(C=CC(=C1)CC(=O)N)C Z194976376 [1,0,0,0,1,0|1,0,0]=3 235 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Br Z1269221903 [1,0,0,0,1,0|1,0,0]=3 236 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)C Z168876634 [1,0,0,0,1,0|0,0,0]=2 237 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)Cl Z1269148038 [1,0,0,0,1,0|1,0,0]=3 238 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)N Z4184587402 [1,0,0,0,1,0|1,0,0]=3 239 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O Z1203162033 [1,0,0,0,1,0|0,0,0]=2 240 B13R1.52 O=CC1=C(C=CC(=C1)CC(=O)O)O Z1681376601 [1,0,0,0,1,0|2,0,0]=4 241 B13R1.35 CC1=C(C=CC(=C1)CC(=O)O)CO Z1551958932 [1,0,0,0,1,0|2,0,0]=4 242 B13R1.35 CCC1=C(C=C(C=C1)CC(=O)O)F Z1551924486 [1,0,0,0,1,0|2,0,0]=4 243 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Cl Z1205414415 [1,0,0,0,1,0|1,0,0]=3 244 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F Z94598730 [1,0,0,0,1,0|1,0,0]=3 245 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)O Z1065613560 [1,0,0,0,1,0|0,0,0]=2 246 B13R1.3091 C=C(C)C1=CC(=C(C=C1)OC)OC Z1238836374 [0,0,0,0,2,0|2,0,0]=4 247 B13R1.3091 CCC1=C(C=C(C=C1)C(=O)O)CC Z1262524593 [0,0,0,0,2,0|2,0,0]=4 248 B13R1.3091 CCC1=C(C=C(C=C1)C(=O)O)OC Z1198232631 [0,0,0,0,2,0|1,0,0]=3 249 B13R1.3091 CCC1=C(C=CC(=C1)C(=O)O)OC Z1255466895 [0,0,0,0,2,0|1,0,0]=3 250 B13R1.3091 COC1=C(C=C(C=C1)B(O)O)OC Z336079998 [0,0,0,0,2,0|1,0,1]=4 251 B13R1.3091 COC1=C(C=C(C=C1)C(=O)C)OC Z54182939 [0,0,0,0,2,0|1,0,0]=3 252 B13R1.3091 COC1=C(C=C(C=C1)C(=O)N)OC Z33546772 [0,0,0,0,2,0|1,0,0]=3 253 B13R1.3091 COC1=C(C=C(C=C1)C(=O)O)C=O Z1255436097 [0,0,0,0,2,0|2,0,0]=4 254 B13R1.3091 COC1=C(C=C(C=C1)C(=O)O)OC Z104478452 [0,0,0,0,2,0|0,0,0]=2 255 B13R1.3091 COC1=C(C=C(C=C1)C(=S)N)OC Z56998594 [0,0,0,0,2,0|1,1,0]=4 256 B13R1.3091 COC1=C(C=C(C=C1)C(C)O)OC Z228586178 [0,0,0,0,2,0|1,0,1]=4 257 B13R1.3091 COC1=C(C=CC(=C1)C(=O)C)SC Z927375054 [0,0,0,0,2,0|1,1,0]=4 258 B13R1.3091 COC1=C(C=CC(=C1)C(=O)O)C#N Z1255464361 [0,0,0,0,2,0|2,0,0]=4 259 B13R1.3091 COC1=C(C=CC(=C1)C(=O)O)C=O Z1262528048 [0,0,0,0,2,0|2,0,0]=4 260 B13R1.3091 COC1=C(N=C(C=C1)C(=O)O)OC Z1201625961 [0,0,0,0,2,0|1,0,0]=3 261 B15R1.3778 COC1=C(C=C(C=C1)CCCC(=O)O)F Z425469884 [1,0,0,0,0,1|1,0,0]=3 262 B15R1.3778 COC1=C(C=C(C=C1)CSCC(=O)N)Br Z102913112 [1,0,0,0,0,1|2,0,0]=4 263 B15R1.397 COC1=CC(=CC(=C1)OC)/C=C/C(=O)O Z104510540 [0,0,0,0,1,1|0,0,2]=4 264 B15R1.397 COC1=CC(=CC(=C1)OC)CCC(=O)O Z104511174 [0,0,0,0,1,1|0,0,0]=2 265 B15R1.397 COC1=CC(=CC(=C1)OCC(=O)N)OC Z17855305 [0,0,0,0,1,1|2,0,0]=4 266 B15R1.1579 COC1=C(C(=CC=C1)/C=C/C(=O)O)OC Z2942851155 [0,0,0,0,1,1|0,0,2]=4 267 B15R1.1579 COC1=C(C(=CC=C1)CCC(=O)O)OC Z85919064 [0,0,0,0,1,1|0,0,0]=2 268 B15R1.1904 CCC1=CC(=C(C=C1)OCC(=O)O)OC Z1508936773 [0,0,0,0,1,1|2,0,0]=4 269 B15R1.1904 COC1=CC(=C(C=C1)/C=C/C(=O)O)OC Z2942852625 [0,0,0,0,1,1|0,0,2]=4 270 B15R1.1904 COC1=CC(=C(C=C1)CNC(=O)N)OC Z736945370 [0,0,0,0,1,1|2,0,0]=4 271 B17R1.4639 COC1=C(C=C(C=C1)CCCCC(=O)O)OC Z361415540 [0,0,0,0,0,2|0,0,0]=2