0 B13R1.718 C=C(CO)COCC1=CC=CC=C1 SY271912 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 SY049056 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.718 COC(=O)CCNC1=CC=CC=C1 SY028349 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.718 COC(=O)CNCC1=CC=CC=C1 SY174443 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.718 NNC(=O)COCC1=CC=CC=C1 SY185971 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.8 NOCCCOC1=CC=CC=C1 SY281786 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.8 NOCCCOC1=CC=CC=C1 SY281787 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 NOCCOCC1=CC=CC=C1 SY281790 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.8 NOCCOCC1=CC=CC=C1 SY281791 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.252 CC(=O)COCC1=CC=CC=C1 SY107427 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.252 CC(O)COCC1=CC=CC=C1 SY115719 [1,0,0,0,0,0|1,0,2]=4 11 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 SY046157 [1,0,0,0,0,0|1,0,2]=4 12 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 SY226247 [1,0,0,0,0,0|1,0,2]=4 13 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 SY059957 [1,0,0,0,0,0|1,0,2]=4 14 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SY004771 [1,0,0,0,0,0|0,0,0]=1 15 B12R1.252 O=C(O)CCCC1=NC=CC=C1 SY110052 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.252 O=C(O)CCNC1=CC=CC=C1 SY019790 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY003481 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY015802 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.252 O=C(O)COCC1=CC=CC=C1 SY002087 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 SY083558 [1,0,0,0,0,0|0,0,2]=3 21 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 SY067225 [1,0,0,0,0,0|0,0,1]=2 22 B12R1.252 O=[N+]([O-])CCCC1=CC=CC=C1 SY266519 [1,0,0,0,0,0|1,0,1]=3 23 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 SY027115 [0,1,0,0,0,0|1,0,0]=2 24 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 SY009084 [0,1,0,0,0,0|0,0,1]=2 25 B14R1.163 O=C(CBr)NCC(O)C1=CC=CC=C1 SY271556 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.163 O=C(CCl)NCC(O)C1=CC=CC=C1 SY271555 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.520 CCOC(=O)CCCC1=NC=CN=C1 SY280123 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 SY021323 [0,1,0,0,0,0|2,0,0]=3 29 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 SY021454 [0,1,0,0,0,0|1,0,0]=2 30 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 SY273320 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.546 COC(COCC1=CC=CC=C1)OC SY109449 [0,1,0,0,0,0|1,0,2]=4 32 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 SY005594 [0,1,0,0,0,0|0,0,1]=2 33 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 SY031217 [0,1,0,0,0,0|0,0,0]=1 34 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 SY144060 [0,1,0,0,0,0|1,0,0]=2 35 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SY001207 [0,0,0,1,0,0|2,0,0]=3 36 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 SY010607 [0,0,0,1,0,0|1,0,0]=2 37 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SY007401 [0,0,0,1,0,0|1,0,0]=2 38 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 SY168219 [0,0,0,1,0,0|2,0,1]=4 39 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 SY046517 [0,0,0,1,0,0|1,0,0]=2 40 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 SY016563 [0,0,0,1,0,0|2,0,0]=3 41 B14R2.68 O=C1CCN(C2=CC=CN=C2)CC1 SY291950 [0,0,0,1,0,0|3,0,0]=4 42 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 SY034706 [0,0,0,1,0,0|2,0,0]=3 43 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 SY020043 [0,0,0,1,0,0|1,0,2]=4 44 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 SY032788 [0,0,0,1,0,0|2,0,1]=4 45 B14R2.958 COC(=O)C1N=C1C2=CC=CC=C2 SY037180 [0,0,0,1,0,0|1,0,1]=3 46 B14R2.958 COC(=O)C1NC1C2=CC=CC=C2 SY037179 [0,0,0,1,0,0|1,0,0]=2 47 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 SY037171 [0,0,0,1,0,0|1,0,0]=2 48 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY266108 [0,0,0,1,0,0|0,0,0]=1 49 B14R2.958 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY266109 [0,0,0,1,0,0|0,0,0]=1 50 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 SY266107 [0,0,0,1,0,0|0,0,0]=1 51 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SY004327 [0,0,0,0,1,0|2,0,1]=4 52 B12R1.27 COC(=O)C#CC1=CC=CN=C1 SY022413 [0,0,0,0,1,0|1,0,2]=4 53 B12R1.27 COC(=O)C#CC1=CC=NC=C1 SY022412 [0,0,0,0,1,0|1,0,2]=4 54 B12R1.27 COC(=O)C#CC1=NC=CC=C1 SY022414 [0,0,0,0,1,0|1,0,2]=4 55 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [0,0,0,0,1,0|0,0,0]=1 56 B12R1.27 COC(=O)CCC1=CC=NC=C1 SY022395 [0,0,0,0,1,0|1,0,0]=2 57 B12R1.27 COC(=O)CCC1=NC=CC=C1 SY022458 [0,0,0,0,1,0|1,0,0]=2 58 B12R1.27 COC(=O)COC1=CC=CC=C1 SY037886 [0,0,0,0,1,0|1,0,0]=2 59 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY021003 [0,0,0,0,1,0|3,0,0]=4 60 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY038933 [0,0,0,0,1,0|3,0,0]=4 61 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SY017007 [0,0,0,0,1,0|3,0,0]=4 62 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SY002918 [0,0,0,0,1,0|3,0,0]=4 63 B12R1.27 O=C(CO)OCC1=CC=CC=C1 SY115712 [0,0,0,0,1,0|3,0,0]=4 64 B12R1.27 O=C(NO)OCC1=CC=CC=C1 SY024162 [0,0,0,0,1,0|3,0,0]=4 65 B14R1.716 O=C(CBr)CCOCC1=CC=CC=C1 SY265577 [0,0,0,0,0,1|2,0,0]=3 66 B11R1.28 BrCCCCC1=CC=CC=C1 SY036816 [2,0,0,0,0,0|1,0,1]=4 67 B11R1.28 C=CCNCC1=CC=CC=C1 SY051146 [2,0,0,0,0,0|1,0,1]=4 68 B11R1.28 C=CCOCC1=CC=CC=C1 SY052476 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.28 CCNCCC1=CC=CC=C1 SY248623 [2,0,0,0,0,0|1,0,1]=4 70 B11R1.28 NOCCCC1=CC=CC=C1 SY281833 [2,0,0,0,0,0|1,0,0]=3 71 B11R1.28 NOCCCC1=CC=CC=C1 SY281834 [2,0,0,0,0,0|1,0,0]=3 72 B11R1.28 NOCCOC1=CC=CC=C1 SY006322 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.28 O=CCCCC1=CC=CC=C1 SY236716 [2,0,0,0,0,0|0,0,0]=2 74 B11R1.28 OCCCCC1=CC=CC=C1 SY015871 [2,0,0,0,0,0|0,0,1]=3 75 B11R1.28 OCCCCC1=CC=CN=C1 SY022160 [2,0,0,0,0,0|1,0,1]=4 76 B11R1.28 OCCCCC1=CC=NC=C1 SY008209 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.28 OCCCCC1=CC=NC=C1 SY008241 [2,0,0,0,0,0|1,0,1]=4 78 B11R1.28 OCCCCC1=NC=CC=C1 SY022161 [2,0,0,0,0,0|1,0,1]=4 79 B11R1.28 OCCNCC1=CC=CC=C1 SY001172 [2,0,0,0,0,0|1,0,1]=4 80 B11R1.28 OCCOCC1=CC=CC=C1 SY015814 [2,0,0,0,0,0|1,0,1]=4 81 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 SY013986 [1,1,0,0,0,0|1,0,1]=4 82 B13R1.28 NOCCCCOC1=CC=CC=C1 SY281730 [1,1,0,0,0,0|1,0,1]=4 83 B13R1.28 NOCCCCOC1=CC=CC=C1 SY281731 [1,1,0,0,0,0|1,0,1]=4 84 B13R1.28 NOCCCOCC1=CC=CC=C1 SY281747 [1,1,0,0,0,0|1,0,1]=4 85 B13R1.28 NOCCCOCC1=CC=CC=C1 SY281748 [1,1,0,0,0,0|1,0,1]=4 86 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 SY004280 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 SY004279 [1,1,0,0,0,0|1,0,0]=3 88 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SY011505 [1,1,0,0,0,0|0,0,1]=3 89 B13R1.149 CC1=CC(OCCC(=O)O)=CC=C1 SY008360 [1,1,0,0,0,0|1,0,0]=3 90 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 SY129392 [1,1,0,0,0,0|0,0,0]=2 91 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 SY020039 [1,1,0,0,0,0|1,0,0]=3 92 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 SY008354 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 SY008349 [1,1,0,0,0,0|1,0,0]=3 94 B13R1.149 O=C(O)C\C=C\C1=CC=CC(F)=C1 SY129393 [1,1,0,0,0,0|0,0,2]=4 95 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 SY008361 [1,1,0,0,0,0|1,0,0]=3 96 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl SY008355 [1,1,0,0,0,0|1,0,0]=3 97 B13R1.158 O=C(O)CCOC1=CC=CC=C1F SY008013 [1,1,0,0,0,0|1,0,0]=3 98 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 SY273281 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SY225087 [1,1,0,0,0,0|0,0,0]=2 100 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 SY110088 [1,1,0,0,0,0|0,0,0]=2 101 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 SY225455 [1,1,0,0,0,0|0,0,0]=2 102 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 SY065308 [1,1,0,0,0,0|0,0,0]=2 103 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 SY254222 [1,1,0,0,0,0|0,0,0]=2 104 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)Cl SY283218 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O SY179876 [1,1,0,0,0,0|1,0,0]=3 106 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O SY150471 [1,1,0,0,0,0|1,0,0]=3 107 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O SY012060 [1,1,0,0,0,0|0,0,0]=2 108 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O SY012187 [1,1,0,0,0,0|0,0,0]=2 109 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 SY103177 [1,1,0,0,0,0|1,0,0]=3 110 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 SY030207 [1,1,0,0,0,0|0,0,0]=2 111 B13R1.513 O=C(Cl)CCCC1=CC=C(F)C=C1 SY039298 [1,1,0,0,0,0|1,0,0]=3 112 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 SY006986 [1,1,0,0,0,0|0,0,0]=2 113 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 SY033190 [1,1,0,0,0,0|0,0,0]=2 114 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SY039290 [1,1,0,0,0,0|0,0,0]=2 115 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 SY031852 [1,1,0,0,0,0|0,0,0]=2 116 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 SY123396 [1,1,0,0,0,0|1,0,0]=3 117 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 SY008353 [1,1,0,0,0,0|1,0,0]=3 118 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 SY027105 [0,1,0,0,1,0|1,0,1]=4 119 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 SY033453 [0,1,0,0,1,0|0,0,1]=3 120 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 SY005601 [0,1,0,0,1,0|1,0,1]=4 121 B13R1.11 COC(=O)CC(N)C1=CC=CN=C1 SY020335 [0,1,0,0,1,0|1,0,0]=3 122 B13R1.11 COC(=O)CN(C)C1=NC=CC=C1 SY021379 [0,1,0,0,1,0|2,0,0]=4 123 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 SY013642 [0,1,0,0,1,0|0,0,0]=2 124 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 SY028002 [0,1,0,0,1,0|0,0,0]=2 125 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 SY003634 [0,1,0,0,1,0|0,0,0]=2 126 B13R1.14 COC(=O)COC1=CC=C(Cl)N=C1 SY026758 [0,1,0,0,1,0|2,0,0]=4 127 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 SY102551 [0,1,0,0,1,0|1,0,0]=3 128 B13R1.14 COC(=O)COC1=NC=C(Br)C=C1 SY022407 [0,1,0,0,1,0|2,0,0]=4 129 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 SY012273 [0,1,0,0,1,0|0,0,2]=4 130 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 SY110360 [0,1,0,0,1,0|0,0,0]=2 131 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 SY046258 [0,1,0,0,1,0|0,0,0]=2 132 B13R1.15 COC(=O)\C=C\C1=CC=CC(O)=C1 SY029355 [0,1,0,0,1,0|0,0,2]=4 133 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 SY035299 [0,1,0,0,1,0|0,0,0]=2 134 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 SY106384 [0,1,0,0,1,0|0,0,0]=2 135 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 SY112626 [0,1,0,0,1,0|0,0,0]=2 136 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 SY004788 [0,1,0,0,1,0|0,0,0]=2 137 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 SY033782 [0,1,0,0,1,0|0,0,0]=2 138 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 SY034266 [0,1,0,0,1,0|0,0,0]=2 139 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 SY033769 [0,1,0,0,1,0|0,0,0]=2 140 B13R1.528 COC(=O)CCC1=CC=CC=C1Br SY017608 [0,1,0,0,1,0|0,0,0]=2 141 B15R1.741 COC(=O)CC(=O)OCC1=CC=CC=C1 SY047273 [0,1,0,0,0,1|0,0,1]=3 142 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 SY003944 [0,1,0,0,0,1|0,0,0]=2 143 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 SY022040 [0,1,0,0,0,1|0,0,0]=2 144 B15R1.959 COC(=O)CCNC(=O)C1=CC=CC=C1 SY011674 [0,1,0,0,0,1|0,0,1]=3 145 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C)C=C1 SY004010 [0,2,0,0,0,0|0,0,1]=3 146 B15R1.132 COC(=O)CCC(=O)C1=CC=C(F)C=C1 SY004009 [0,2,0,0,0,0|0,0,1]=3 147 B15R1.981 COC(=O)CC(N)CC1=CC=C(Cl)C=C1 SY201691 [0,2,0,0,0,0|0,0,0]=2 148 B15R1.11630 COC(=O)CCCC1=CC=C(F)C(C)=C1 SY237469 [0,2,0,0,0,0|0,0,0]=2 149 B15R1.89 CCOC(=O)CN[C@@H](C)C1=CC=CC=C1 SY005835 [0,2,0,0,0,0|1,0,0]=3 150 B15R1.89 CCOC(=O)CN[C@H](C)C1=CC=CC=C1 SY005447 [0,2,0,0,0,0|1,0,0]=3 151 B15R1.1094 COC(=O)CNS(=O)(=O)C1=CC=CC=C1 SY011670 [0,2,0,0,0,0|2,0,0]=4 152 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 SY041609 [0,2,0,0,0,0|0,0,1]=3 153 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 SY013535 [0,2,0,0,0,0|0,0,1]=3 154 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 SY008760 [0,2,0,0,0,0|0,0,0]=2 155 B15R1.826 CCOC(=O)[C@H](N)CCC1=CC=CC=C1 SY012188 [0,2,0,0,0,0|0,0,0]=2 156 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 SY056855 [0,2,0,0,0,0|0,0,0]=2 157 B15R1.1370 COC(=O)C(CO)NCC1=CC=CC=C1 SY013175 [0,2,0,0,0,0|1,0,0]=3 158 B15R1.1370 COC(=O)[C@@H](CO)NCC1=CC=CC=C1 SY005134 [0,2,0,0,0,0|1,0,0]=3 159 B15R1.1370 COC(=O)[C@H](CO)NCC1=CC=CC=C1 SY005128 [0,2,0,0,0,0|1,0,0]=3 160 B15R1.1368 COC(=O)CCOC1=CC=CC(F)=C1F SY225521 [0,2,0,0,0,0|1,0,0]=3 161 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 SY005151 [1,0,0,1,0,0|2,0,0]=4 162 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 SY077207 [1,0,0,1,0,0|1,0,1]=4 163 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 SY262091 [1,0,0,1,0,0|1,0,1]=4 164 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 SY069429 [1,0,0,1,0,0|1,0,1]=4 165 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 SY128694 [1,0,0,1,0,0|1,0,1]=4 166 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 SY039361 [1,0,0,1,0,0|2,0,0]=4 167 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 SY007924 [1,0,0,1,0,0|1,0,1]=4 168 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 SY021000 [1,0,0,1,0,0|1,0,1]=4 169 B13R2.10 NC1=NC(C2=CC=CC=C2)CC1 SY262882 [1,0,0,1,0,0|2,0,0]=4 170 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 SY031841 [1,0,0,1,0,0|1,0,0]=3 171 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 SY037846 [1,0,0,1,0,0|2,0,0]=4 172 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 SY013456 [1,0,0,1,0,0|2,0,0]=4 173 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 SY020305 [1,0,0,1,0,0|2,0,0]=4 174 B13R2.31 O=C1CN(CC2=CC=CC=C2)C1 SY042515 [1,0,0,1,0,0|1,0,0]=3 175 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 SY023759 [1,0,0,1,0,0|0,0,0]=2 176 B13R2.163 O=C1CCCC2=CC=CC=C2N1 SY017407 [1,0,0,1,0,0|1,0,0]=3 177 B13R2.163 O=C1CCNC2=CC=CC=C2N1 SY079183 [1,0,0,1,0,0|2,0,0]=4 178 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SY056952 [1,0,0,1,0,0|0,0,0]=2 179 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 SY033158 [1,0,0,1,0,0|1,0,0]=3 180 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY028926 [1,0,0,1,0,0|0,0,0]=2 181 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY260952 [1,0,0,1,0,0|0,0,0]=2 182 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CN=C2 SY273782 [1,0,0,1,0,0|1,0,0]=3 183 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SY152256 [1,0,0,1,0,0|0,0,0]=2 184 B13R2.33 O=C1CCC2=CC=CC=C2CC1 SY036148 [0,0,0,1,1,0|1,0,0]=3 185 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 SY014240 [0,0,0,1,0,1|0,0,2]=4 186 B15R2.4 COC(=O)CC1=COC2=CC=CC=C12 SY045674 [0,0,0,1,0,1|0,0,2]=4 187 B15R2.4 COC(=O)CC1COC2=CC=CC=C21 SY058337 [0,0,0,1,0,1|0,0,0]=2 188 B15R2.29 CC1=CCN(CC2=CC=CC=C2)CC1 SY237881 [0,0,0,1,0,1|2,0,0]=4 189 B15R2.29 O=C1CCC(CC2=CC=CC=C2)CC1 SY147126 [0,0,0,1,0,1|1,0,0]=3 190 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 SY001468 [0,0,0,1,0,1|1,0,0]=3 191 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 SY004637 [0,0,0,1,0,1|2,0,0]=4 192 B15R2.79765 COC(=O)C1CCCC2=C1N=CC=C2 SY233663 [0,0,0,1,0,1|1,0,0]=3 193 B15R2.79765 COC(=O)C1NCCC2=C1C=CC=C2 SY195398 [0,0,0,1,0,1|0,0,0]=2 194 B15R2.3 NC1=CC=C(N2CCC(=O)CC2)C=C1 SY262003 [0,1,0,1,0,0|2,0,0]=4 195 B15R2.3 O=C1CCC(C2=CC=C(F)C=C2)CC1 SY047368 [0,1,0,1,0,0|1,0,0]=3 196 B15R2.3 O=C1CCC(C2=CC=C(O)C=C2)CC1 SY021353 [0,1,0,1,0,0|1,0,0]=3 197 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 SY014471 [0,1,0,1,0,0|1,0,0]=3 198 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(Br)C=C2 SY266102 [0,1,0,1,0,0|0,0,0]=2 199 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(Br)C=C2 SY266104 [0,1,0,1,0,0|0,0,0]=2 200 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(C)C=C2 SY266128 [0,1,0,1,0,0|0,0,0]=2 201 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(C)C=C2 SY266129 [0,1,0,1,0,0|0,0,0]=2 202 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(Cl)C=C2 SY266093 [0,1,0,1,0,0|0,0,0]=2 203 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(Cl)C=C2 SY266094 [0,1,0,1,0,0|0,0,0]=2 204 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 SY266085 [0,1,0,1,0,0|0,0,0]=2 205 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 SY266086 [0,1,0,1,0,0|0,0,0]=2 206 B15R2.1559 COC(=O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 SY266103 [0,1,0,1,0,0|0,0,0]=2 207 B15R2.1559 COC(=O)[C@H]1C[C@@H]1C2=CC=C(C)C=C2 SY266127 [0,1,0,1,0,0|0,0,0]=2 208 B15R2.1559 COC(=O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 SY266092 [0,1,0,1,0,0|0,0,0]=2 209 B15R2.1559 COC(=O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 SY266084 [0,1,0,1,0,0|0,0,0]=2 210 B15R2.94 CC1CC(C2=CC=CC=C2)CCC1=O SY263375 [0,1,0,1,0,0|1,0,0]=3 211 B15R2.297 O=C1CCC(C(O)C2=CC=CC=C2)O1 SY030096 [0,1,0,1,0,0|2,0,0]=4 212 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 SY004988 [0,1,0,1,0,0|2,0,0]=4 213 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 SY018499 [0,1,0,1,0,0|2,0,0]=4 214 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 SY109984 [0,1,0,1,0,0|2,0,0]=4 215 B15R2.66 CCOC1=NC(C2=CC=CC=C2)CC1 SY262883 [0,1,0,1,0,0|1,0,0]=3 216 B15R2.325 O=C1NC(CC2=CC=CC=C2)C(=O)O1 SY007695 [0,1,0,1,0,0|1,0,1]=4 217 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 SY062318 [0,1,0,1,0,0|1,0,1]=4 218 B15R2.325 O=C1N[C@H](CC2=CC=CC=C2)C(=O)O1 SY225254 [0,1,0,1,0,0|1,0,1]=4 219 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY099273 [0,1,0,1,0,0|0,0,0]=2 220 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY266106 [0,1,0,1,0,0|0,0,0]=2 221 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 SY266105 [0,1,0,1,0,0|0,0,0]=2 222 B15R2.1601 COC(=O)C1CC2=C(C=CC=C2)CN1 SY026663 [0,1,0,1,0,0|1,0,0]=3 223 B15R2.1601 COC(=O)C1CCC2=C(C=CC=C2)O1 SY242211 [0,1,0,1,0,0|0,0,0]=2 224 B15R2.1601 COC(=O)C1COC2=CC=CC=C2O1 SY014175 [0,1,0,1,0,0|1,0,0]=3 225 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 SY026679 [0,1,0,1,0,0|1,0,0]=3 226 B15R2.308 O=C1CCC(C2=CC=CC=C2Cl)CN1 SY033474 [0,1,0,1,0,0|1,0,0]=3 227 B15R2.308 O=C1CCC(C2=CC=CC=C2F)CN1 SY033476 [0,1,0,1,0,0|1,0,0]=3 228 B15R2.308 O=C1COC(C2=CC=CC=C2Cl)CN1 SY034710 [0,1,0,1,0,0|2,0,0]=4 229 B15R2.19074 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2Br SY266376 [0,1,0,1,0,0|0,0,0]=2 230 B15R2.19074 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2Br SY266377 [0,1,0,1,0,0|0,0,0]=2 231 B15R2.19074 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2C SY266349 [0,1,0,1,0,0|0,0,0]=2 232 B15R2.19074 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2C SY266350 [0,1,0,1,0,0|0,0,0]=2 233 B15R2.19074 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2Cl SY266501 [0,1,0,1,0,0|0,0,0]=2 234 B15R2.19074 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2Cl SY266502 [0,1,0,1,0,0|0,0,0]=2 235 B15R2.19074 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2F SY266358 [0,1,0,1,0,0|0,0,0]=2 236 B15R2.19074 COC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2F SY266359 [0,1,0,1,0,0|0,0,0]=2 237 B15R2.19074 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2Br SY266375 [0,1,0,1,0,0|0,0,0]=2 238 B15R2.19074 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2C SY266348 [0,1,0,1,0,0|0,0,0]=2 239 B15R2.19074 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2Cl SY266500 [0,1,0,1,0,0|0,0,0]=2 240 B15R2.19074 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2F SY266357 [0,1,0,1,0,0|0,0,0]=2 241 B15R2.28 CC1=CC(C2CCC(=O)CC2)=CC=C1 SY263376 [0,1,0,1,0,0|1,0,0]=3 242 B15R2.28 O=C1CCC(C2=CC=CC(Cl)=C2)CN1 SY033478 [0,1,0,1,0,0|1,0,0]=3 243 B15R2.3809 COC(=O)[C@@H]1C[C@H]1C2=CC=CC(Br)=C2 SY266210 [0,1,0,1,0,0|0,0,0]=2 244 B15R2.3809 COC(=O)[C@@H]1C[C@H]1C2=CC=CC(Br)=C2 SY266211 [0,1,0,1,0,0|0,0,0]=2 245 B15R2.3809 COC(=O)[C@@H]1C[C@H]1C2=CC=CC(C)=C2 SY266509 [0,1,0,1,0,0|0,0,0]=2 246 B15R2.3809 COC(=O)[C@@H]1C[C@H]1C2=CC=CC(C)=C2 SY266510 [0,1,0,1,0,0|0,0,0]=2 247 B15R2.3809 COC(=O)[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY266229 [0,1,0,1,0,0|0,0,0]=2 248 B15R2.3809 COC(=O)[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY266230 [0,1,0,1,0,0|0,0,0]=2 249 B15R2.3809 COC(=O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 SY266330 [0,1,0,1,0,0|0,0,0]=2 250 B15R2.3809 COC(=O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 SY266331 [0,1,0,1,0,0|0,0,0]=2 251 B15R2.3809 COC(=O)[C@H]1C[C@@H]1C2=CC=CC(Br)=C2 SY266209 [0,1,0,1,0,0|0,0,0]=2 252 B15R2.3809 COC(=O)[C@H]1C[C@@H]1C2=CC=CC(C)=C2 SY266508 [0,1,0,1,0,0|0,0,0]=2 253 B15R2.3809 COC(=O)[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 SY266228 [0,1,0,1,0,0|0,0,0]=2 254 B15R2.3809 COC(=O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 SY266329 [0,1,0,1,0,0|0,0,0]=2 255 B15R2.19094 COC(=O)C1NCC2=C1C=CC(Br)=C2 SY275779 [0,1,0,1,0,0|1,0,0]=3 256 B15R2.19094 COC(=O)C1NCC2=C1C=CC(Br)=C2 SY276026 [0,1,0,1,0,0|1,0,0]=3 257 B15R2.79451 COC(=O)[C@@H]1CCC2=NC=CC(=O)N21 SY296689 [0,1,0,1,0,0|2,0,0]=4 258 B15R3.2009 [C@H]12CC3=C(C=CC=C3)[C@H]1NC(=O)O2 SY223970 [0,0,0,2,0,0|2,0,0]=4 259 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SY051763 [1,0,0,0,1,0|0,0,2]=4 260 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [1,0,0,0,1,0|0,0,0]=2 261 B11R1.91 CC(=O)COC1=NC=CC=C1 SY251719 [1,0,0,0,1,0|2,0,0]=4 262 B11R1.91 NC(=O)CCC1=CC=CN=C1 SY022419 [1,0,0,0,1,0|2,0,0]=4 263 B11R1.91 NC(=O)CCC1=CC=NC=C1 SY022418 [1,0,0,0,1,0|2,0,0]=4 264 B11R1.91 NC(=O)CCC1=NC=CC=C1 SY022420 [1,0,0,0,1,0|2,0,0]=4 265 B11R1.91 NC(=O)NCC1=CC=CC=C1 SY049437 [1,0,0,0,1,0|2,0,0]=4 266 B11R1.91 NC(=O)OCC1=CC=CC=C1 SY015067 [1,0,0,0,1,0|2,0,0]=4 267 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SY023402 [1,0,0,0,1,0|0,0,2]=4 268 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [1,0,0,0,1,0|0,0,0]=2 269 B11R1.91 O=C(O)CCC1=CC=NC=C1 SY022403 [1,0,0,0,1,0|1,0,0]=3 270 B11R1.91 O=C(O)CCC1=CN=CC=C1 SY017981 [1,0,0,0,1,0|1,0,0]=3 271 B11R1.91 O=C(O)CCC1=NC=CC=C1 SY013900 [1,0,0,0,1,0|1,0,0]=3 272 B11R1.91 O=C(O)COC1=CC=CN=C1 SY110065 [1,0,0,0,1,0|2,0,0]=4 273 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [1,0,0,0,1,0|1,0,1]=4 274 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [1,0,0,0,1,0|1,0,1]=4 275 B11R1.172 O=C(O)CCCC1=CC=CS1 SY005888 [1,0,0,0,1,0|1,0,0]=3 276 B11R1.25 COC(=O)CCC1=CC=CN1 SY047286 [0,0,0,0,2,0|1,0,0]=3 277 B11R1.40 COC(=O)CC1=CC=CN=C1 SY014800 [0,0,0,0,2,0|1,0,0]=3 278 B11R1.40 COC(=O)CC1=CC=CN=C1 SY033634 [0,0,0,0,2,0|1,0,0]=3 279 B11R1.40 COC(=O)CC1=CC=NC=C1 SY003565 [0,0,0,0,2,0|1,0,0]=3 280 B11R1.40 COC(=O)CC1=CC=NC=C1 SY007994 [0,0,0,0,2,0|1,0,0]=3 281 B11R1.40 COC(=O)CC1=NC=CC=C1 SY030291 [0,0,0,0,2,0|1,0,0]=3 282 B11R1.40 COC(=O)CC1=NC=CC=N1 SY005830 [0,0,0,0,2,0|2,0,0]=4 283 B11R1.40 COC(=O)C[N+]1=NC=CC=C1 SY286050 [0,0,0,0,2,0|2,0,0]=4 284 B11R1.40 N#CC(=O)CC1=CC=CC=C1 SY235509 [0,0,0,0,2,0|2,0,0]=4 285 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [0,0,0,0,2,0|2,0,0]=4