0 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 242828 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.27 CNC(=S)NCC1=CC=CC=C1 018213 [0,0,0,0,0,0|2,1,0]=3 3 B12R1.27 COC(=O)CCC1=CC=CC=C1 078491 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.27 COC(=O)COC1=CC=CC=C1 001024 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.27 COC(=O)CSC1=CC=CC=C1 003766 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.27 COC(=O)CSC1=NC=CC=C1 097692 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [0,0,0,0,0,0|0,0,2]=2 8 B12R1.27 NCC(=O)OCC1=CC=CC=C1 038264 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.27 NCC(=O)OCC1=CC=CC=C1 M03020 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.27 NNC(=O)OCC1=CC=CC=C1 018210 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.27 NNC(=S)NCC1=CC=CC=C1 018233 [0,0,0,0,0,0|3,1,0]=4 12 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 080332 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 057933 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 320035 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.27 O=C(CO)OCC1=CC=CC=C1 243220 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.28 BrCCCCC1=CC=CC=C1 008935 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 CCCCNC1=CC=CC=C1 236771 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 CCCCOC1=CC=CC=C1 001072 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 CNCCOC1=CC=CC=C1 023561 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 COCCSC1=NC=CC=C1 097658 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 O=C=NCCC1=CC=CC=C1 067795 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.28 OCCCCC1=CC=CC=C1 003411 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 S=C=NCCC1=CC=CC=C1 009560 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [1,0,0,0,0,0|0,0,0]=1 26 B11R1.91 CC(=O)NCC1=CC=NC=C1 032566 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [1,0,0,0,0,0|0,0,2]=3 28 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [1,0,0,0,0,0|0,0,2]=3 29 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [1,0,0,0,0,0|0,0,2]=3 32 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.91 CN(C)CCC1=NC=CC=C1 098956 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.91 N=C(N)COC1=CC=CC=C1 017231 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 N=C(N)SCC1=CC=CC=C1 099378 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.91 NC(=O)COC1=CC=CC=C1 001028 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.91 NC(=O)NCC1=CC=CC=C1 243198 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.91 NC(=O)NCC1=CN=CC=C1 352454 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.91 NC(=O)OCC1=CC=CC=C1 209067 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [1,0,0,0,0,0|1,0,2]=4 42 B11R1.91 NC(=S)NCC1=CC=CC=C1 018234 [1,0,0,0,0,0|2,1,0]=4 43 B11R1.91 NC(N)=NCC1=CC=CC=C1 047437 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.91 O=C(Cl)COC1=CC=CC=C1 099217 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 106076 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M02865 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 099114 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.91 O=C(O)C#CC1=CC=CC=C1 046965 [1,0,0,0,0,0|0,0,2]=3 50 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [1,0,0,0,0,0|0,0,0]=1 51 B11R1.91 O=C(O)CCC1=CC=CC=N1 075030 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.91 O=C(O)CCC1=CC=CN=C1 065995 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.91 O=C(O)CCC1=CC=NC=C1 027685 [1,0,0,0,0,0|1,0,0]=2 54 B11R1.91 O=C(O)CNC1=CC=CC=C1 011837 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.91 O=C(O)COC1=CC=CC=C1 222559 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.91 O=C(O)CSC1=CC=CC=C1 001321 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.91 O=C(O)CSC1=CC=NC=C1 358269 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.91 O=C(O)CSC1=NC=CC=N1 013703 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 209013 [1,0,0,0,0,0|0,0,2]=3 60 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 003424 [1,0,0,0,0,0|1,0,2]=4 61 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 009848 [1,0,0,0,0,0|1,0,2]=4 62 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 009847 [1,0,0,0,0,0|1,0,2]=4 63 B11R1.91 O=C(O)\C=C\c1ccccc1 195963 [1,0,0,0,0,0|0,0,2]=3 64 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 057192 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.14 CNC(=O)CCC1=CC=C(Br)C=C1 103201 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.14 CNC(=O)COC1=CC=C(Br)C=C1 080300 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.14 CNC(=O)COC1=CC=C(Cl)C=C1 106324 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.14 CNC(=O)COC1=CC=C(F)C=C1 106308 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 078412 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 321399 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 209835 [0,1,0,0,0,0|0,0,0]=1 72 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 047901 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.14 COC(=O)COC1=CC=C(C)C=C1 105973 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 540934 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.14 COC(=O)COC1=CC=C(F)C=C1 106162 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.14 COC(=O)CSC1=CC=C(C)C=C1 094775 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 242989 [0,1,0,0,0,0|0,0,2]=3 78 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 329550 [0,1,0,0,0,0|0,0,2]=3 79 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 098862 [0,1,0,0,0,0|0,0,2]=3 80 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 079088 [0,1,0,0,0,0|0,0,2]=3 81 B13R1.15 CNC(=O)COC1=CC(Br)=CC=C1 106107 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.15 CNC(=O)COC1=CC(C)=CC=C1 106125 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.15 CNC(=O)COC1=CC(Cl)=CC=C1 106296 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.15 COC(=O)CCC1=CC(Cl)=CC=C1 390136 [0,1,0,0,0,0|0,0,0]=1 85 B13R1.15 COC(=O)COC1=CC(Cl)=CC=C1 106331 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.15 COC(=O)COC1=CC(F)=CC=C1 106386 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.15 COC(=O)COC1=CC=CC(Br)=C1 246461 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.15 COC(=O)COC1=CC=CC(C)=C1 105971 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.15 COC(=O)CSC1=CC(C)=CC=C1 094776 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.15 COC(=O)\C=C\C1=CC=CC(F)=C1 034723 [0,1,0,0,0,0|0,0,2]=3 91 B13R1.42 CC(CCO)CCC1=CC=CC=C1 104708 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 141600 [0,1,0,0,0,0|0,0,2]=3 93 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 223207 [0,1,0,0,0,0|0,0,0]=1 94 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 317601 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.42 CCOC(=O)COC1=CC=CC=C1 001014 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 066738 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.42 CCOC(=O)CSC1=NC=CC=C1 097683 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 180467 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 098919 [0,1,0,0,0,0|0,0,2]=3 100 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 236784 [0,1,0,0,0,0|1,0,2]=4 101 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 094535 [0,1,0,0,0,0|2,0,1]=4 102 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 003826 [0,1,0,0,0,0|0,0,0]=1 103 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 047694 [0,1,0,0,0,0|0,0,0]=1 104 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 050337 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=C1 031901 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 069875 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.528 CNC(=O)COC1=C(Cl)C=CC=C1 106329 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.528 COC(=O)CCC1=C(Cl)C=CC=C1 049753 [0,1,0,0,0,0|0,0,0]=1 109 B13R1.528 COC(=O)CCC1=CC=CC=C1Br 225494 [0,1,0,0,0,0|0,0,0]=1 110 B13R1.528 COC(=O)COC1=C(Br)C=CC=C1 106304 [0,1,0,0,0,0|1,0,0]=2 111 B13R1.528 COC(=O)COC1=C(F)C=CC=C1 375133 [0,1,0,0,0,0|1,0,0]=2 112 B13R1.528 COC(=O)\C=C\C1=C(Br)C=CC=C1 098268 [0,1,0,0,0,0|0,0,2]=3 113 B13R1.528 COC(=O)\C=C\C1=C(F)C=CC=C1 097770 [0,1,0,0,0,0|0,0,2]=3 114 B13R1.528 O=C(CCl)NCC1=C(F)C=CC=C1 059757 [0,1,0,0,0,0|3,0,0]=4 115 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 358056 [0,0,0,1,0,0|1,0,1]=3 116 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 024793 [0,0,0,1,0,0|1,0,0]=2 117 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 076021 [0,0,0,1,0,0|1,0,0]=2 118 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 238808 [0,0,0,1,0,0|1,0,2]=4 119 B11R1.40 C=CC(=O)NC1=CC=CC=C1 320028 [0,0,0,0,1,0|2,0,1]=4 120 B11R1.40 C=CC(=O)OC1=CC=CC=C1 461814 [0,0,0,0,1,0|2,0,1]=4 121 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [0,0,0,0,1,0|1,0,2]=4 122 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,0,0,0,1,0|1,0,0]=2 123 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [0,0,0,0,1,0|2,0,0]=3 124 B11R1.40 CNC(=O)OC1=CC=CC=C1 104150 [0,0,0,0,1,0|2,0,0]=3 125 B11R1.40 CNC(=S)NC1=CC=CC=C1 018860 [0,0,0,0,1,0|2,1,0]=4 126 B11R1.40 COC(=O)CC1=NC=CC=C1 092468 [0,0,0,0,1,0|1,0,0]=2 127 B11R1.40 NNC(=O)NC1=CC=CC=C1 358181 [0,0,0,0,1,0|3,0,0]=4 128 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 033305 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.40 O=C(CBr)NC1=CC=CC=C1 080331 [0,0,0,0,1,0|3,0,0]=4 130 B11R1.40 O=C(CBr)OC1=CC=CC=C1 235583 [0,0,0,0,1,0|3,0,0]=4 131 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [0,0,0,0,1,0|2,0,0]=3 132 B11R1.40 O=C(CCl)NC1=CC=CC=C1 307343 [0,0,0,0,1,0|3,0,0]=4 133 B13R1.718 COC(=O)CCCC1=CC=CC=C1 341823 [0,0,0,0,0,1|0,0,0]=1 134 B13R1.718 COC(=O)CNCC1=CC=CC=C1 300050 [0,0,0,0,0,1|0,0,0]=1 135 B13R1.718 COC(=O)CSCC1=CC=CC=C1 094721 [0,0,0,0,0,1|0,0,0]=1 136 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 018941 [0,0,0,0,0,1|2,1,0]=4 137 B10R1.17 BrCCCC1=CC=CC=C1 113800 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.17 C#CCCC1=CC=CC=C1 062967 [2,0,0,0,0,0|0,0,2]=4 139 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [2,0,0,0,0,0|1,0,0]=3 140 B10R1.17 C=CCCC1=CC=CC=C1 342184 [2,0,0,0,0,0|0,0,1]=3 141 B10R1.17 C=CCOC1=CC=CC=C1 242682 [2,0,0,0,0,0|1,0,1]=4 142 B10R1.17 C=CCSC1=CC=CC=C1 003665 [2,0,0,0,0,0|1,0,1]=4 143 B10R1.17 CCCCC1=CC=CC=C1 240933 [2,0,0,0,0,0|0,0,1]=3 144 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [2,0,0,0,0,0|1,0,1]=4 145 B10R1.17 CCCNC1=CC=CC=C1 324115 [2,0,0,0,0,0|1,0,1]=4 146 B10R1.17 CCCSC1=CC=CC=C1 094618 [2,0,0,0,0,0|1,0,1]=4 147 B10R1.17 CCNCC1=CC=CC=C1 239060 [2,0,0,0,0,0|1,0,1]=4 148 B10R1.17 CCOCC1=CC=CC=C1 240434 [2,0,0,0,0,0|1,0,1]=4 149 B10R1.17 CCSCC1=CC=CC=C1 094637 [2,0,0,0,0,0|1,0,1]=4 150 B10R1.17 CNCCC1=CC=CC=C1 046956 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.17 CNCCC1=NC=CC=C1 065480 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.17 ClCCCC1=CC=CC=C1 320132 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.17 N#CCCC1=CC=CC=C1 337065 [2,0,0,0,0,0|1,0,1]=4 154 B10R1.17 NCCCC1=CC=CC=C1 008890 [2,0,0,0,0,0|1,0,1]=4 155 B10R1.17 O=CC#CC1=CC=CC=C1 079303 [2,0,0,0,0,0|0,0,2]=4 156 B10R1.17 O=CCCC1=CC=CC=C1 237467 [2,0,0,0,0,0|0,0,0]=2 157 B10R1.17 O=CNCC1=CC=CN=C1 032579 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.17 O=COCC1=CC=CC=C1 240742 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [2,0,0,0,0,0|0,0,2]=4 160 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [2,0,0,0,0,0|0,0,2]=4 161 B10R1.17 OCCCC1=CC=CC=C1 241187 [2,0,0,0,0,0|0,0,1]=3 162 B10R1.17 OCCCC1=CC=CN=C1 032639 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.17 OCCCC1=CC=NC=C1 093367 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.17 OCCCC1=NC=CC=C1 234266 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.17 OCCNC1=CC=CC=C1 240954 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.17 OCCOC1=CC=CC=C1 005091 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.17 OCCSC1=CC=CC=C1 003534 [2,0,0,0,0,0|1,0,1]=4 168 B12R1.1 CCCCCC1=CC=C(Br)C=C1 018302 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 018420 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.1 CCCCCC1=CC=C(F)C=C1 006311 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.1 CCCCCC1=CC=C(I)C=C1 018749 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.1 COCCOC1=CC=C(Br)C=C1 472903 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.1 COCCSC1=CC=C(Br)C=C1 102411 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.8 BrCCCCCC1=CC=CC=C1 008939 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.8 CCCCCNC1=CC=CC=C1 099449 [1,1,0,0,0,0|1,0,1]=4 176 B12R1.8 CCCCCSC1=CC=CC=C1 094610 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.8 CCCCNCC1=CC=CC=C1 001047 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.8 OCCCCCC1=CC=CC=C1 242471 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.28 COCCOC1=CC=CC(Br)=C1 095036 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.30 CCCCC(O)C1=CC=CC=C1 242321 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.252 CC(=O)NCCC1=CC=CC=C1 240701 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.267 COCCOC1=C(Br)C=CC=C1 465864 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.267 COCCOC1=C(N)C=CC=C1 060092 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.267 COCCSC1=C(Br)C=CC=C1 102384 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 003767 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 023249 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 006345 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 018857 [1,1,0,0,0,0|0,0,0]=2 190 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 106072 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 042198 [1,1,0,0,0,0|1,0,0]=3 192 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 046849 [1,1,0,0,0,0|0,0,2]=4 193 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 008895 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 239138 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 103202 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 106325 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 106307 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 002500 [1,1,0,0,0,0|0,0,0]=2 199 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 104178 [1,1,0,0,0,0|0,0,2]=4 200 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 239541 [1,1,0,0,0,0|0,0,2]=4 201 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 464926 [1,1,0,0,0,0|0,0,2]=4 202 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 477557 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 018312 [1,1,0,0,0,0|0,0,0]=2 204 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 121300 [1,1,0,0,0,0|0,0,0]=2 205 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 006340 [1,1,0,0,0,0|0,0,0]=2 206 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 033922 [1,1,0,0,0,0|0,0,0]=2 207 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 078730 [1,1,0,0,0,0|0,0,0]=2 208 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 216660 [1,1,0,0,0,0|1,0,0]=3 209 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 006318 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 358423 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 033382 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 006343 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 001109 [1,1,0,0,0,0|0,0,2]=4 214 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 001144 [1,1,0,0,0,0|0,0,2]=4 215 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 001180 [1,1,0,0,0,0|0,0,2]=4 216 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [1,1,0,0,0,0|0,0,2]=4 217 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [1,1,0,0,0,0|0,0,2]=4 218 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 209321 [1,1,0,0,0,0|0,0,1]=3 219 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [1,1,0,0,0,0|0,0,2]=4 220 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 M02966 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 093728 [1,1,0,0,0,0|0,0,0]=2 222 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 404464 [1,1,0,0,0,0|0,0,0]=2 223 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M02961 [1,1,0,0,0,0|0,0,0]=2 224 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M02934 [1,1,0,0,0,0|0,0,0]=2 225 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 433344 [1,1,0,0,0,0|0,0,0]=2 226 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 003388 [1,1,0,0,0,0|0,0,0]=2 227 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 013693 [1,1,0,0,0,0|0,0,2]=4 228 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O 222744 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 106600 [1,1,0,0,0,0|0,0,1]=3 230 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 320170 [1,1,0,0,0,0|1,0,0]=3 231 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 358190 [1,1,0,0,0,0|0,0,0]=2 232 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 034469 [1,1,0,0,0,0|0,0,0]=2 233 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 040244 [1,1,0,0,0,0|0,0,0]=2 234 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 103042 [1,1,0,0,0,0|0,0,0]=2 235 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 105772 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.125 CC1=CC=CC=C1CCC(=O)O 018855 [1,1,0,0,0,0|0,0,0]=2 237 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 340690 [1,1,0,0,0,0|0,0,2]=4 238 B12R1.125 NC(=O)COC1=C(Br)C=CC=C1 106163 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 106330 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.125 NC(=O)COC1=C(F)C=CC=C1 105773 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 009235 [1,1,0,0,0,0|0,0,0]=2 242 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 018310 [1,1,0,0,0,0|0,0,0]=2 243 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 018433 [1,1,0,0,0,0|0,0,0]=2 244 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 042079 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 103444 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 001107 [1,1,0,0,0,0|0,0,2]=4 247 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [1,1,0,0,0,0|0,0,2]=4 248 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 001440 [1,1,0,0,0,0|0,0,2]=4 249 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [1,1,0,0,0,0|0,0,2]=4 250 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 018856 [1,1,0,0,0,0|0,0,0]=2 251 B12R1.226 CC1=CC(OCC(N)=O)=CC=C1 106075 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [1,1,0,0,0,0|0,0,2]=4 253 B12R1.226 NC(=O)COC1=CC(Br)=CC=C1 069821 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.226 NC(=O)COC1=CC(Cl)=CC=C1 403355 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.226 NC(=O)COC1=CC(F)=CC=C1 106305 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 002499 [1,1,0,0,0,0|0,0,0]=2 257 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 018311 [1,1,0,0,0,0|0,0,0]=2 258 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 018434 [1,1,0,0,0,0|0,0,0]=2 259 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 018728 [1,1,0,0,0,0|0,0,0]=2 260 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 040411 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [1,1,0,0,0,0|0,0,2]=4 262 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [1,1,0,0,0,0|0,0,2]=4 263 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [1,1,0,0,0,0|0,0,2]=4 264 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [1,1,0,0,0,0|0,0,2]=4 265 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 020880 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 342216 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 375189 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 366607 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 209363 [0,1,0,0,1,0|0,0,1]=3 270 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 066747 [0,1,0,0,1,0|0,0,0]=2 271 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 246440 [0,1,0,0,1,0|0,0,0]=2 272 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 180737 [0,1,0,0,1,0|0,0,0]=2 273 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 375328 [0,1,0,0,1,0|0,0,0]=2 274 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 342262 [0,1,0,0,1,0|0,0,0]=2 275 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 222157 [0,1,0,0,1,0|0,0,0]=2 276 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 093736 [0,1,0,0,1,0|0,0,0]=2 277 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 078970 [0,1,0,0,1,0|0,0,0]=2 278 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 078724 [0,1,0,0,1,0|0,0,0]=2 279 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 018766 [0,1,0,0,1,0|2,0,0]=4 280 B12R1.49 CCC(=O)OC1=CC=C(Br)C=C1 043371 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 314877 [0,1,0,0,1,0|1,0,0]=3 282 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 043034 [0,1,0,0,1,0|0,0,0]=2 283 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 094941 [0,1,0,0,1,0|0,0,0]=2 284 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 092183 [0,1,0,0,1,0|0,0,0]=2 285 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 032725 [0,1,0,0,1,0|0,0,0]=2 286 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 038714 [0,1,0,0,1,0|0,0,0]=2 287 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 023575 [0,1,0,0,1,0|0,0,0]=2 288 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 037384 [0,1,0,0,1,0|0,0,0]=2 289 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 043036 [0,1,0,0,1,0|0,0,0]=2 290 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 079676 [0,1,0,0,1,0|0,0,0]=2 291 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 239817 [0,1,0,0,1,0|0,0,0]=2 292 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 240144 [0,1,0,0,1,0|0,0,0]=2 293 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 209392 [0,1,0,0,1,0|0,0,0]=2 294 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 219776 [0,1,0,0,1,0|0,0,0]=2 295 B12R1.118 COC(CC1=CC=CC=C1)OC 103319 [0,1,0,0,1,0|0,0,2]=4 296 B12R1.371 CNC(=O)CC1=C(C)C=CC=C1 102549 [0,1,0,0,1,0|1,0,0]=3 297 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 043033 [0,1,0,0,1,0|0,0,0]=2 298 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 097777 [0,1,0,0,1,0|0,0,0]=2 299 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 043032 [0,1,0,0,1,0|0,0,0]=2 300 B12R1.371 COC(=O)CC1=CC=CC=C1Cl 223690 [0,1,0,0,1,0|0,0,0]=2 301 B12R1.371 COC(=O)CC1=CC=CC=C1O 234007 [0,1,0,0,1,0|0,0,0]=2 302 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 235015 [0,1,0,0,0,1|0,0,0]=2 303 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 341923 [0,1,0,0,0,1|0,0,0]=2 304 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 240679 [0,1,0,0,0,1|0,0,0]=2 305 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 011445 [0,1,0,0,0,1|0,0,0]=2 306 B14R1.520 CCOC(=O)CSCC1=CC=CC=C1 094710 [0,1,0,0,0,1|0,0,0]=2 307 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 014777 [0,2,0,0,0,0|0,0,1]=3 308 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 079467 [0,2,0,0,0,0|0,0,1]=3 309 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 023365 [0,2,0,0,0,0|1,0,1]=4 310 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 009178 [0,2,0,0,0,0|1,0,1]=4 311 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 456429 [0,2,0,0,0,0|0,0,0]=2 312 B14R1.587 COC(=O)CC(=O)C1=C(F)C=CC=C1 014779 [0,2,0,0,0,0|0,0,1]=3 313 B14R1.741 COC(=O)CS(=O)(=O)C1=CC=CC=C1 001314 [0,2,0,0,0,0|1,0,0]=3 314 B14R1.5 CNC(=O)COC1=CC=C(OC)C=C1 106085 [0,2,0,0,0,0|2,0,0]=4 315 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 066786 [0,2,0,0,0,0|0,0,0]=2 316 B14R1.5 COC(=O)COC1=CC=C(C#N)C=C1 095751 [0,2,0,0,0,0|1,0,0]=3 317 B14R1.5 COC(=O)COC1=CC=C(OC)C=C1 373602 [0,2,0,0,0,0|1,0,0]=3 318 B14R1.5 COC(=O)CSC1=CC=C(OC)C=C1 095130 [0,2,0,0,0,0|1,0,0]=3 319 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 076754 [0,2,0,0,0,0|0,0,2]=4 320 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 300312 [0,2,0,0,0,0|0,0,2]=4 321 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 369927 [0,2,0,0,0,0|0,0,0]=2 322 B14R1.134 COC(=O)C(N)CC1=CC=C(F)C=C1 492932 [0,2,0,0,0,0|0,0,0]=2 323 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 241935 [0,2,0,0,0,0|0,0,0]=2 324 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 463863 [0,2,0,0,0,0|1,0,0]=3 325 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M02995 [0,2,0,0,0,0|0,0,0]=2 326 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M03107 [0,2,0,0,0,0|0,0,0]=2 327 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 045376 [0,2,0,0,0,0|0,0,0]=2 328 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 077912 [0,2,0,0,0,0|0,0,0]=2 329 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 101938 [0,2,0,0,0,0|0,0,0]=2 330 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 238855 [0,2,0,0,0,0|0,0,0]=2 331 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 369663 [0,2,0,0,0,0|1,0,0]=3 332 B14R1.502 CCOC(=O)COC1=CC=C(Br)C=C1 080335 [0,2,0,0,0,0|1,0,0]=3 333 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 097590 [0,2,0,0,0,0|1,0,0]=3 334 B14R1.502 CCOC(=O)COC1=CC=C(Cl)C=C1 060658 [0,2,0,0,0,0|1,0,0]=3 335 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 325044 [0,2,0,0,0,0|1,0,0]=3 336 B14R1.502 CCOC(=O)CSC1=CC=C(C)C=C1 094767 [0,2,0,0,0,0|1,0,0]=3 337 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 068263 [0,2,0,0,0,0|1,0,0]=3 338 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 239532 [0,2,0,0,0,0|0,0,2]=4 339 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 322079 [0,2,0,0,0,0|0,0,2]=4 340 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 367190 [0,2,0,0,0,0|0,0,2]=4 341 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 098923 [0,2,0,0,0,0|0,0,2]=4 342 B14R1.727 COC(=O)COC1=C(Br)C=C(F)C=C1 106397 [0,2,0,0,0,0|1,0,0]=3 343 B14R1.727 COC(=O)\C=C\C1=C(F)C=C(Br)C=C1 099791 [0,2,0,0,0,0|0,0,2]=4 344 B14R1.727 COC(=O)\C=C\C1=CC=C(F)C=C1F 235854 [0,2,0,0,0,0|0,0,2]=4 345 B14R1.32 CCOC(=O)COC1=CC(Br)=CC=C1 095100 [0,2,0,0,0,0|1,0,0]=3 346 B14R1.32 CCOC(=O)COC1=CC(C)=CC=C1 095148 [0,2,0,0,0,0|1,0,0]=3 347 B14R1.32 CCOC(=O)COC1=CC(F)=CC=C1 400296 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.32 CCOC(=O)COC1=CC=CC(Cl)=C1 236124 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.32 CCOC(=O)CSC1=CC(Br)=CC=C1 094816 [0,2,0,0,0,0|1,0,0]=3 350 B14R1.32 CCOC(=O)CSC1=CC(C)=CC=C1 094779 [0,2,0,0,0,0|1,0,0]=3 351 B14R1.32 CCOC(=O)CSC1=CC(Cl)=CC=C1 095033 [0,2,0,0,0,0|1,0,0]=3 352 B14R1.135 COC(=O)[C@H](N)CC1=CC=CC(F)=C1 303291 [0,2,0,0,0,0|0,0,0]=2 353 B14R1.825 CNC(=O)COC1=CC(C)=CC(C)=C1 106388 [0,2,0,0,0,0|2,0,0]=4 354 B14R1.825 COC(=O)COC1=CC(C)=CC(C)=C1 106295 [0,2,0,0,0,0|1,0,0]=3 355 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 003825 [0,2,0,0,0,0|0,0,0]=2 356 B14R1.156 C=CCCC(=O)OCC1=CC=CC=C1 101555 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 210164 [0,2,0,0,0,0|1,0,0]=3 358 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 237752 [0,2,0,0,0,0|2,0,0]=4 359 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 242425 [0,2,0,0,0,0|2,0,0]=4 360 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 219440 [0,2,0,0,0,0|2,0,0]=4 361 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 045526 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Br 225472 [0,2,0,0,0,0|0,0,0]=2 363 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Cl 229786 [0,2,0,0,0,0|0,0,0]=2 364 B14R1.598 CCOC(=O)CNC1=CC=CC=C1C 370006 [0,2,0,0,0,0|1,0,0]=3 365 B14R1.598 CCOC(=O)COC1=C(C)C=CC=C1 097739 [0,2,0,0,0,0|1,0,0]=3 366 B14R1.598 CCOC(=O)COC1=C(F)C=CC=C1 095171 [0,2,0,0,0,0|1,0,0]=3 367 B14R1.598 CCOC(=O)COC1=CC=CC=C1Br 538247 [0,2,0,0,0,0|1,0,0]=3 368 B14R1.598 CCOC(=O)\C=C\C1=C(Br)C=CC=C1 098271 [0,2,0,0,0,0|0,0,2]=4 369 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 097772 [0,2,0,0,0,0|0,0,2]=4 370 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 227958 [0,2,0,0,0,0|2,0,0]=4 371 B14R1.1031 [C@@H](CC1=CC=CC=C1)(NC)C(=O)OC 223156 [0,2,0,0,0,0|0,0,0]=2 372 B14R1.1107 COC(=O)C(C)(N)CC1=CC=CC=C1 463107 [0,2,0,0,0,0|0,0,0]=2 373 B14R1.863 CNC(=O)COC1=C(OC)C=CC=C1 106323 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.863 COC(=O)COC1=CC=CC=C1OC 246464 [0,2,0,0,0,0|1,0,0]=3 375 B14R1.19598 CNC(=O)COC1=C(Cl)C=CC=C1Cl 106514 [0,2,0,0,0,0|2,0,0]=4 376 B14R1.19598 COC(=O)COC1=C(Cl)C=CC=C1Cl 106328 [0,2,0,0,0,0|1,0,0]=3 377 B12R2.2 C1=CC=C(N2CC=CC2)C=C1 231375 [1,0,0,1,0,0|2,0,0]=4 378 B12R2.41 C1=CC2=C(C=C1)CCNCC2 046252 [1,0,0,1,0,0|2,0,0]=4 379 B12R2.1081 CC1NCCC2=C1C=CC=C2 077277 [1,0,0,1,0,0|2,0,0]=4 380 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [1,0,0,1,0,0|0,0,2]=4 381 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 012252 [1,0,0,1,0,0|0,0,0]=2 382 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [1,0,0,1,0,0|1,0,0]=3 383 B12R2.24 O=C1CCC2=CC=CC=C2O1 236946 [1,0,0,1,0,0|0,0,0]=2 384 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [1,0,0,1,0,0|2,0,0]=4 385 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [1,0,0,1,0,0|2,0,0]=4 386 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [1,0,0,1,0,0|2,0,0]=4 387 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 066601 [1,0,0,1,0,0|0,0,0]=2 388 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 048352 [0,0,0,1,0,1|1,0,0]=3 389 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 034309 [0,0,0,1,0,1|0,0,0]=2 390 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 040327 [0,0,0,1,0,1|0,0,0]=2 391 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 242612 [0,0,0,1,0,1|1,0,0]=3 392 B14R2.95 COC(=O)C1=CCC2=CC=CC=C21 023353 [0,0,0,1,0,1|0,0,1]=3 393 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 003455 [0,0,0,1,0,1|0,0,2]=4 394 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 047738 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [1,0,0,0,1,0|1,0,0]=3 396 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [1,0,0,0,1,0|1,0,0]=3 397 B10R1.18 CC(=O)NC1=CC=CN=C1 032565 [1,0,0,0,1,0|2,0,0]=4 398 B10R1.18 CC(=O)NC1=CC=NC=C1 235412 [1,0,0,0,1,0|2,0,0]=4 399 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [1,0,0,0,1,0|1,0,0]=3 400 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [1,0,0,0,1,0|1,0,0]=3 401 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [1,0,0,0,1,0|1,0,1]=4 402 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [1,0,0,0,1,0|0,0,2]=4 403 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [1,0,0,0,1,0|2,0,0]=4 404 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [1,0,0,0,1,0|0,0,2]=4 405 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [1,0,0,0,1,0|0,0,2]=4 406 B10R1.18 N=C(O)NC1=CC=CC=C1 364335 [1,0,0,0,1,0|2,0,0]=4 407 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [1,0,0,0,1,0|1,0,0]=3 408 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [1,0,0,0,1,0|2,0,0]=4 409 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [1,0,0,0,1,0|1,1,0]=4 410 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [1,0,0,0,1,0|1,0,0]=3 411 B10R1.18 O=C(Cl)OC1=CC=CC=C1 235668 [1,0,0,0,1,0|2,0,0]=4 412 B10R1.18 O=C(Cl)SC1=CC=CC=C1 015276 [1,0,0,0,1,0|2,0,0]=4 413 B10R1.18 O=C(O)CC1=CC=CN=C1 066081 [1,0,0,0,1,0|1,0,0]=3 414 B10R1.18 O=C(O)CC1=CC=CN=C1 076680 [1,0,0,0,1,0|1,0,0]=3 415 B10R1.18 O=C(O)CC1=CC=NC=C1 001787 [1,0,0,0,1,0|1,0,0]=3 416 B10R1.18 O=C(O)CC1=CN=CN=C1 077681 [1,0,0,0,1,0|2,0,0]=4 417 B10R1.18 O=C(O)CC1=NC=CC=C1 066003 [1,0,0,0,1,0|1,0,0]=3 418 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 180385 [1,0,0,0,1,0|1,0,0]=3 419 B10R1.66 CC(=O)OCC1=CC=CO1 068583 [1,0,0,0,1,0|2,0,0]=4 420 B10R1.66 O=C(O)CCC1=CC=CO1 011752 [1,0,0,0,1,0|1,0,0]=3 421 B10R1.27 COC(=O)CC1=CC=CS1 011193 [0,0,0,0,2,0|1,0,0]=3 422 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [0,0,0,0,2,0|1,0,0]=3 423 B10R1.15 CCC(=O)C1=CC=CN=C1 494152 [0,0,0,0,2,0|2,0,0]=4 424 B10R1.15 CCC(=O)C1=CC=NC=C1 218389 [0,0,0,0,2,0|2,0,0]=4 425 B10R1.15 CNC(=O)C1=CC=CC=C1 341719 [0,0,0,0,2,0|1,0,0]=3 426 B10R1.15 CNC(=O)C1=CC=CN=C1 180107 [0,0,0,0,2,0|2,0,0]=4 427 B10R1.15 CNC(=S)C1=CC=CC=C1 180197 [0,0,0,0,2,0|1,1,0]=4 428 B10R1.15 COC(=O)C1=CC=CC=C1 223218 [0,0,0,0,2,0|0,0,0]=2 429 B10R1.15 COC(=O)C1=CC=NC=C1 040095 [0,0,0,0,2,0|1,0,0]=3 430 B10R1.15 COC(=O)C1=CN=CC=C1 078909 [0,0,0,0,2,0|1,0,0]=3 431 B10R1.15 COC(=O)C1=NC=CC=C1 078704 [0,0,0,0,2,0|1,0,0]=3 432 B10R1.15 COC(=O)C1=NC=CN=C1 066991 [0,0,0,0,2,0|2,0,0]=4 433 B10R1.15 COS(=O)C1=CC=CC=C1 023251 [0,0,0,0,2,0|1,0,0]=3 434 B10R1.15 N#CC(=O)C1=CC=CC=C1 241276 [0,0,0,0,2,0|2,0,0]=4 435 B10R1.15 NCC(=O)C1=CC=CC=C1 040292 [0,0,0,0,2,0|2,0,0]=4 436 B10R1.15 NNC(=O)C1=CC=CC=C1 227678 [0,0,0,0,2,0|2,0,0]=4 437 B10R1.15 O=C(CBr)C1=CC=CC=C1 040508 [0,0,0,0,2,0|2,0,0]=4 438 B10R1.15 O=C(CCl)C1=CC=CC=C1 228091 [0,0,0,0,2,0|2,0,0]=4 439 B10R1.15 O=C(CO)C1=CC=CC=C1 219236 [0,0,0,0,2,0|2,0,0]=4 440 B10R1.15 O=C(NO)C1=CC=CC=C1 317419 [0,0,0,0,2,0|2,0,0]=4 441 B10R1.15 O=CC(=O)C1=CC=CC=C1 454875 [0,0,0,0,2,0|2,0,0]=4 442 B14R1.716 CCC(=O)NCC#CC1=CC=CC=C1 189922 [0,0,0,0,0,2|1,0,1]=4