0 B12R1.30 CCCCC(=O)C1=CC=NC=C1 N14246 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.30 CCCCC(=O)C1=NC=CC=C1 N12234 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.30 CCCC[C@H](N)C1=CC=NC=C1 N12642 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.30 CCCC[C@H](N)C1=NC=CC=C1 N12541 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 D73857 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12299 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 N12300 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.30 NCCCC(=O)C1=CN=CC=C1 D84284 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.30 O=C(NCCO)C1=NC=CC=C1 C73151 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.30 O=C(OCCO)C1=CC=CC=C1 E72195 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.30 O=C(SCCS)C1=CC=CC=C1 D76612 [0,0,0,0,0,0|1,1,0]=2 11 B12R1.30 [N-]=[N+]=NCC(=O)C1=CC=CC=C1 AC9352 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 N12265 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.16 CN(CCBr)C1=CC=CC=C1 W15250 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.16 [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [1,0,0,0,0,0|2,0,0]=3 25 B13R1.17 NCCNC(=O)C1=CC=C(Cl)C=C1 F21193 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.17 NCCNC(=O)C1=NC=C(Cl)C=C1 N17089 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.17 O=C(CCCI)C1=CC=C(F)C=C1 AC9670 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.17 O=C(NCCO)C1=CC=C(Cl)C=C1 V10301 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.18 CCCCC(=O)C1=CC(Br)=CN=C1 N14271 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.18 CCCCC(=O)C1=CC(C)=CC=C1 N13970 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.18 CCCCC(=O)C1=CC(Cl)=NC=C1 N14280 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.18 CCCCC(=O)C1=CC=CC(Br)=C1 N13964 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.18 CCCCC(=O)C1=CC=CC(Cl)=C1 N13956 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.18 CCCCC(=O)C1=NC=CC(Cl)=C1 N14250 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.18 NCCNC(=O)C1=CC=CC(Cl)=C1 F21223 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.18 O=C(CCCCl)C1=CC(Br)=CN=C1 C11589 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.18 O=C(NCCO)C1=CC(Br)=CN=C1 F19726 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 96853 [0,1,0,0,0,0|1,0,1]=3 39 B13R1.24 CCCCC[C@H](N)C1=CC=CC=C1 N12530 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 F21154 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 N10696 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 A50922 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 76887 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.45 C[C@H](O)CNC(=O)C1=CC=CC=C1 32386 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 F14578 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.122 COCC[S@](=N)(=O)C1=CC=CC=C1 W16298 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.122 O=S(=O)(CCCO)C1=CC=CC=C1 F51895 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 N13967 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.674 CCCCC(=O)C1=C(Cl)C=CC=C1 N13953 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.674 CCCCC(=O)C1=NC=CC=C1C N12293 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl 77547 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 AT22864 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F18968 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.10 CC1CNC(C2=CC=CC=C2)C1 AT22579 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.10 C[C@H]1CN=C(C2=CC=CC=C2)O1 V10353 [0,0,0,1,0,0|1,0,1]=3 56 B13R2.10 C[C@H]1CN=C(C2=CC=CC=C2)O1 V10354 [0,0,0,1,0,0|1,0,1]=3 57 B13R2.10 C[C@H]1COC(C2=CC=CC=C2)=N1 V10356 [0,0,0,1,0,0|1,0,0]=2 58 B13R2.10 C[C@H]1COC(C2=CC=CC=C2)=N1 V10357 [0,0,0,1,0,0|1,0,0]=2 59 B13R2.10 OC1COC(C2=CC=CC=C2)C1 AT10452 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.371 CN1C=CC(=O)C2=C1C=CC=C2 D86440 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.371 CN1CCC(=O)C2=C1C=CC=C2 93242 [0,0,0,1,0,0|2,0,0]=3 62 B13R2.371 N[C@H]1CCC(=O)C2=C1C=CC=C2 73528 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.371 O=C1CC[C@H](Br)C2=C1C=CC=C2 AT21616 [0,0,0,1,0,0|2,0,0]=3 64 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 S11240 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.2931 N#C[IH2]1OC(=O)C2=C1C=CC=C2 C73315 [0,0,0,1,0,0|2,0,1]=4 66 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 O11475 [0,0,0,1,0,0|2,0,0]=3 67 B13R2.5252 O=C1CCC=CC2=C1C=CC=C2 92612 [0,0,0,1,0,0|1,0,2]=4 68 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 FD10505 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.8137 O=C(C1=CC=CC=C1)C2CNC2 P14545 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.8137 O[C@H](C1=CC=CC=C1)C2CCC2 AT10653 [0,0,0,1,0,0|1,0,2]=4 71 B11R1.29 CCCCC(=O)C1=CC=CO1 N14288 [0,0,0,0,1,0|2,0,0]=3 72 B11R1.29 NCCNC(=O)C1=CC=CO1 F21147 [0,0,0,0,1,0|3,0,0]=4 73 B11R1.29 NCCNC(=O)C1=CC=CS1 F21146 [0,0,0,0,1,0|3,0,0]=4 74 B11R1.29 NCCNC(=O)C1=CSC=C1 F21225 [0,0,0,0,1,0|3,0,0]=4 75 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 F21136 [0,0,0,0,0,1|2,0,0]=3 76 B13R1.44 O=C(CC1=CC=CC=C1)NCCO W12293 [0,0,0,0,0,1|2,0,0]=3 77 B13R1.44 O=C(NCCCl)NC1=CC=NC=C1 98043 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [2,0,0,0,0,0|1,0,1]=4 82 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.17 FCCNC1=CC=CC=C1 D77931 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.17 OCCOC1=NC=CC=C1 C90307 [2,0,0,0,0,0|2,0,0]=4 93 B12R1.16 CCCC(=O)C1=CN=C(Br)C=C1 N14277 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 F21118 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 91791 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 S11950 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.16 CCOC(=O)C1=NC=C(C)C=N1 D88008 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 FD6033 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.17 CCCC(=O)C1=CC(C)=CC=C1 N13969 [1,1,0,0,0,0|0,0,0]=2 100 B12R1.17 CCCC(=O)C1=CC(Cl)=NC=C1 N14279 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.17 CCCC(=O)C1=CC(F)=CN=C1 N14269 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 N13955 [1,1,0,0,0,0|0,0,0]=2 103 B12R1.17 CCCC(=O)C1=CC=CC(F)=C1 N13952 [1,1,0,0,0,0|0,0,0]=2 104 B12R1.17 CCCC(=O)C1=NC=CC(Cl)=C1 N14249 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.17 CCNC(=O)C1=CC=CC(Br)=C1 AC7790 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.17 CCOC(=N)C1=CC=CC(F)=C1 91789 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.17 CCOC(=N)C1=CC=CC(F)=C1 D87710 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.17 CCOC(=O)C1=NC(C)=CC=N1 F52084 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.17 CCOC(=O)C1=NC(C)=NC=C1 90608 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.34 CC[C@H](C)C(=O)C1=CC=CC=C1 N13974 [1,1,0,0,0,0|0,0,0]=2 111 B12R1.39 COCS(=O)(=O)C1=CC=CC=C1 T71828 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 AC6576 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 F50499 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.107 CC(C)CC(=O)C1=CN=CC=C1 F30170 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 F30232 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.308 C=COC(=O)C1=C(Cl)C=CC=C1 T70344 [1,1,0,0,0,0|0,0,2]=4 117 B12R1.308 CCCC(=O)C1=C(Br)C=CC=C1 N13959 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.308 CCCC(=O)C1=C(C)C=CC=C1 N13966 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.308 CCCC(=O)C1=C(Cl)C=CC=C1 N12776 [1,1,0,0,0,0|0,0,0]=2 120 B12R1.308 CCCC(=O)C1=C(Cl)C=CN=C1 N14268 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 N13948 [1,1,0,0,0,0|0,0,0]=2 122 B12R1.308 CCCC(=O)C1=CC=CN=C1Br N14265 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.308 CCOC(=N)C1=C(F)C=CC=C1 AC6130 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.308 CCOC(=O)C1=C(C)C=NC=C1 90030 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.308 CCOC(=O)C1=C(Cl)C=CN=C1 25333 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.308 CCOC(=O)C1=CC=CN=C1F 91498 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.308 CCOC(=O)C1=NC=CC=C1O AC5369 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.308 CCOC(=O)C1=NC=NC=C1C F53194 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.308 CCOC(=O)C1=NC=NC=C1N F13751 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.1 BrCCOCC1=CC=C(Br)C=C1 N11537 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.1 CCCNCC1=CC=C(Br)C=C1 C77919 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.1 CCCNCC1=CC=C(C)C=C1 C78190 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 C78300 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.1 CCCNCC1=CC=C(F)C=C1 C78430 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.1 OCCOCC1=CC=C(Br)C=C1 N11527 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.8 CNCCCOC1=CC=CC=C1 C77854 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.28 CCCNCC1=CC(C)=CC=C1 C77940 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.28 CCCNCC1=CC=CC(Br)=C1 C78566 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 C78191 [1,1,0,0,0,0|1,0,1]=4 141 B12R1.28 CCCNCC1=CC=CC(F)=C1 C78563 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [1,1,0,0,0,0|0,0,1]=3 143 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [1,1,0,0,0,0|0,0,1]=3 144 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.267 CCCNCC1=C(Br)C=CC=C1 C78484 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.267 CCCNCC1=C(C)C=CC=C1 C78482 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.267 CCCNCC1=C(Cl)C=CC=C1 C78483 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.267 CCCNCC1=C(F)C=CC=C1 C78370 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.267 COCOCC1=C(Br)C=CC=C1 C11531 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.35 CCCCOC(=O)C1=CSC=C1 T72281 [0,1,0,0,1,0|1,0,0]=3 153 B12R1.35 NCCCNC(=O)C1=CC=CS1 F21100 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.55 CCC[C@H](Br)C(=O)C1=CC=CS1 C11139 [0,1,0,0,1,0|2,0,0]=4 155 B14R1.33 CCCCC(=O)CC1=CC=C(Br)C=C1 N14162 [0,1,0,0,0,1|1,0,0]=3 156 B14R1.33 CCCCC(=O)CC1=CC=C(C)C=C1 N14170 [0,1,0,0,0,1|1,0,0]=3 157 B14R1.33 CCCCC(=O)CC1=CC=C(Cl)C=C1 N14154 [0,1,0,0,0,1|1,0,0]=3 158 B14R1.33 CCCCC(=O)CC1=CC=C(F)C=C1 N14144 [0,1,0,0,0,1|1,0,0]=3 159 B14R1.33 O=C(CCCCl)NC1=CC=C(Br)C=C1 AC5843 [0,1,0,0,0,1|2,0,0]=4 160 B14R1.34 CCCCC(=O)CC1=CC=CC(Cl)=C1 N14152 [0,1,0,0,0,1|1,0,0]=3 161 B14R1.34 CCCCC(=O)CC1=CC=CC(F)=C1 N14139 [0,1,0,0,0,1|1,0,0]=3 162 B14R1.34 CCCCC(=O)NC1=CC=CC(F)=C1 AT16580 [0,1,0,0,0,1|1,0,0]=3 163 B14R1.34 NCCNC(=O)CC1=CC=CC(Cl)=C1 F21071 [0,1,0,0,0,1|2,0,0]=4 164 B14R1.946 CCCCC(=O)CC1=C(C)C=CC=C1 N14165 [0,1,0,0,0,1|1,0,0]=3 165 B14R1.946 CCCCC(=O)CC1=C(Cl)C=CC=C1 N14149 [0,1,0,0,0,1|1,0,0]=3 166 B14R1.946 CCCCC(=O)CC1=C(F)C=CC=C1 N14136 [0,1,0,0,0,1|1,0,0]=3 167 B14R1.19 C=CCCCC(=O)C1=CC=C(C)C=C1 96857 [0,2,0,0,0,0|1,0,1]=4 168 B14R1.19 C=CCCCC(=O)C1=CC=C(F)C=C1 97321 [0,2,0,0,0,0|1,0,1]=4 169 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Cl)C=C1 94477 [0,2,0,0,0,0|1,0,1]=4 170 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 75641 [0,2,0,0,0,0|2,0,0]=4 171 B14R1.926 CCCCC(=O)C1=CC=C(CC)C=C1 N13981 [0,2,0,0,0,0|1,0,0]=3 172 B14R1.926 CCCCC(=O)C1=CC=C(OC)C=C1 D87957 [0,2,0,0,0,0|1,0,0]=3 173 B14R1.941 CCCCC(=O)C1=CC(Cl)=C(C)C=C1 N14086 [0,2,0,0,0,0|1,0,0]=3 174 B14R1.941 CCCCC(=O)C1=CC(F)=C(C)C=C1 N14056 [0,2,0,0,0,0|1,0,0]=3 175 B14R1.941 CCCCC(=O)C1=CC(F)=C(Cl)C=C1 N14048 [0,2,0,0,0,0|1,0,0]=3 176 B14R1.2523 CCCCC(=O)C1=C(C)C=C(C)C=C1 N14102 [0,2,0,0,0,0|1,0,0]=3 177 B14R1.2523 CCCCC(=O)C1=C(F)C=C(Br)C=C1 N12189 [0,2,0,0,0,0|1,0,0]=3 178 B14R1.2523 CCCCC(=O)C1=C(F)C=C(Cl)C=C1 N14025 [0,2,0,0,0,0|1,0,0]=3 179 B14R1.2523 CCCCC(=O)C1=C(F)C=C(F)C=C1 N14022 [0,2,0,0,0,0|1,0,0]=3 180 B14R1.16 CCCCC(=O)C1=C(C)C(C)=CC=C1 N14097 [0,2,0,0,0,0|1,0,0]=3 181 B14R1.16 CCCCC(=O)C1=CC=CC(Cl)=C1F N14018 [0,2,0,0,0,0|1,0,0]=3 182 B14R1.20 NCCCNC(=O)C1=CC=CC(Cl)=C1 F21027 [0,2,0,0,0,0|1,0,0]=3 183 B14R1.20 NCCCNC(=O)C1=CC=CC(F)=C1 F21026 [0,2,0,0,0,0|1,0,0]=3 184 B14R1.918 CCCCC(=O)C1=C(C)C=CC(C)=C1 N14106 [0,2,0,0,0,0|1,0,0]=3 185 B14R1.918 CCCCC(=O)C1=C(Cl)C=CC(Cl)=C1 N14114 [0,2,0,0,0,0|1,0,0]=3 186 B14R1.918 CCCCC(=O)C1=C(F)C=CC(Br)=C1 N12203 [0,2,0,0,0,0|1,0,0]=3 187 B14R1.918 CCCCC(=O)C1=C(F)C=CC(F)=C1 N14031 [0,2,0,0,0,0|1,0,0]=3 188 B14R1.918 O=C(CCCCl)C1=C(F)C=CC(F)=C1 C13295 [0,2,0,0,0,0|2,0,0]=4 189 B14R1.923 C=CCOC(=O)C1=CC(N)=CC(C)=C1 78367 [0,2,0,0,0,0|0,0,2]=4 190 B14R1.923 CCCCC(=O)C1=CC(C)=CC(F)=C1 N14072 [0,2,0,0,0,0|1,0,0]=3 191 B14R1.923 CCCCC(=O)C1=CC(Cl)=CC(Cl)=C1 N14091 [0,2,0,0,0,0|1,0,0]=3 192 B14R1.923 CCCCC(=O)C1=CC(Cl)=CC(F)=C1 N14067 [0,2,0,0,0,0|1,0,0]=3 193 B14R1.923 CCCCC(=O)C1=CC(F)=CC(F)=C1 N14063 [0,2,0,0,0,0|1,0,0]=3 194 B14R1.934 CCCCC(=O)C1=CC(OC)=CC=C1 N13992 [0,2,0,0,0,0|1,0,0]=3 195 B14R1.38 CCOCCNC(=O)C1=CC=CC=C1 A50976 [0,2,0,0,0,0|1,0,0]=3 196 B14R1.420 CC(=O)OCCC(=O)C1=CC=CC=C1 A51013 [0,2,0,0,0,0|1,0,1]=4 197 B14R1.420 O=C(OCC[N+](=O)[O-])C1=CC=CC=C1 AC6087 [0,2,0,0,0,0|1,0,0]=3 198 B14R1.3098 O=C(CCC(F)(F)F)C1=CC=CC=C1 67719 [0,2,0,0,0,0|2,0,0]=4 199 B14R1.478 CCC[C@H](NC)C(=O)C1=CC=CC=C1 D87566 [0,2,0,0,0,0|1,0,0]=3 200 B14R1.3348 CCOC(=O)C(=O)C1=C(Cl)C=CC=C1 AC6483 [0,2,0,0,0,0|2,0,0]=4 201 B14R1.939 CCCCC(=O)C1=C(CC)C=CC=C1 N13976 [0,2,0,0,0,0|1,0,0]=3 202 B14R1.939 CCCCC(=O)C1=C(OC)C=CC=C1 N13988 [0,2,0,0,0,0|1,0,0]=3 203 B14R1.939 COC1=C(C(=O)NCCBr)C=CC=C1 C12376 [0,2,0,0,0,0|2,0,0]=4 204 B14R1.8282 CCCCC(=O)C1=C(F)C=CC=C1F N14038 [0,2,0,0,0,0|1,0,0]=3 205 B12R2.2 C1=CC(C2=NCCC2)=CC=N1 CS1374 [1,0,0,1,0,0|2,0,0]=4 206 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 F14027 [1,0,0,1,0,0|1,0,0]=3 207 B12R2.2 C1=CC=C(C2=CCNC2)C=C1 F52289 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.2 C1=CC=C(C2OCCO2)C=C1 H10024 [1,0,0,1,0,0|0,0,2]=4 209 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [1,0,0,1,0,0|1,0,0]=3 210 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [1,0,0,1,0,0|1,0,1]=4 211 B12R2.1081 O=C1CCCC2=NC=CN=C12 P11622 [1,0,0,1,0,0|2,0,0]=4 212 B12R2.1081 O=C1CNCC2=C1C=CC=C2 F12400 [1,0,0,1,0,0|1,0,0]=3 213 B12R2.1081 O=C1NCCC2=C1C=CN=C2 D84896 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.1081 O=C1OC=NC2=C1C=CC=C2 D72797 [1,0,0,1,0,0|1,0,1]=4 215 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [1,0,0,1,0,0|1,0,0]=3 216 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F13978 [1,0,0,1,0,0|1,0,1]=4 217 B12R2.41 C1=CC2=C(C=C1)NCCC=C2 74521 [1,0,0,1,0,0|2,0,0]=4 218 B12R2.41 C1=CC2=C(C=C1)NCCOC2 98337 [1,0,0,1,0,0|1,0,1]=4 219 B12R2.229 O=C1NCCCC2=C1C=CO2 D86986 [0,0,0,1,1,0|2,0,0]=4 220 B14R2.24 O=C1NCCS[C@H]1C2=CC=CC=C2 AT25446 [0,0,0,1,0,1|2,0,0]=4 221 B14R2.8 CC[C@H]1COC(C2=CC=CC=C2)=N1 V10362 [0,1,0,1,0,0|1,0,0]=3 222 B14R2.8 CC[C@H]1COC(C2=CC=CC=C2)=N1 V10363 [0,1,0,1,0,0|1,0,0]=3 223 B14R2.8 OC[C@H]1COC(C2=CC=CC=C2)=N1 AC6881 [0,1,0,1,0,0|1,0,0]=3 224 B14R2.21 BrC1CCOC(C2=CC=CC=C2)C1 C91908 [0,1,0,1,0,0|1,0,1]=4 225 B14R2.21 CN1CCO[C@H](C2=CC=CC=C2)C1 F18887 [0,1,0,1,0,0|1,0,1]=4 226 B14R2.21 NC1CCOC(C2=CC=CC=C2)C1 AT18935 [0,1,0,1,0,0|1,0,1]=4 227 B14R2.21 N[C@H]1CCO[C@H](C2=CC=CC=C2)C1 C77111 [0,1,0,1,0,0|1,0,1]=4 228 B14R2.21 O[C@@H]1CCO[C@H](C2=CC=CC=C2)C1 AT18948 [0,1,0,1,0,0|1,0,1]=4 229 B14R2.260 C[C@@H]1OC(C2=CC=CC=C2)O[C@H]1C AC8305 [0,1,0,1,0,0|0,0,2]=4 230 B14R2.20 C[C@H]1CN=C(C2=CC=C(Cl)C=C2)O1 V10367 [0,1,0,1,0,0|1,0,1]=4 231 B14R2.20 C[C@H]1CN=C(C2=CC=C(Cl)C=C2)O1 V10368 [0,1,0,1,0,0|1,0,1]=4 232 B14R2.20 C[C@H]1COC(C2=CC=C(Cl)C=C2)=N1 V10370 [0,1,0,1,0,0|1,0,0]=3 233 B14R2.20 C[C@H]1COC(C2=CC=C(Cl)C=C2)=N1 V10371 [0,1,0,1,0,0|1,0,0]=3 234 B14R2.68 CC1COC(C2=CC=CC=C2)CN1 F17617 [0,1,0,1,0,0|1,0,1]=4 235 B14R2.68 CC1COC(C2=CC=CC=C2)CN1 F18861 [0,1,0,1,0,0|1,0,1]=4 236 B14R2.68 C[C@@H]1CO[C@H](C2=CC=CC=C2)CN1 F18847 [0,1,0,1,0,0|1,0,1]=4 237 B14R2.68 C[C@@H]1CO[C@H](C2=CC=CC=C2)CN1 F19008 [0,1,0,1,0,0|1,0,1]=4 238 B14R2.68 C[C@@H]1CO[C@H](C2=CC=CC=C2)CN1 F19009 [0,1,0,1,0,0|1,0,1]=4 239 B14R2.68 C[C@H]1CO[C@H](C2=CC=CC=C2)CN1 F19007 [0,1,0,1,0,0|1,0,1]=4 240 B14R2.68 C[C@H]1CO[C@H](C2=CC=CC=C2)CN1 F19010 [0,1,0,1,0,0|1,0,1]=4 241 B14R2.933 NC1=CC=C(C(=O)NC2CC2)C=C1 W13126 [0,1,0,1,0,0|1,0,0]=3 242 B14R2.933 O=C(CC1CC1)C2=CC=C(O)C=C2 96078 [0,1,0,1,0,0|1,0,0]=3 243 B14R2.8719 NC1=CC2=C(C=C1)C(=O)CCCC2 F13364 [0,1,0,1,0,0|1,0,0]=3 244 B14R2.8719 O=C1CCCNC2=C1C=CC(Cl)=C2 D76734 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.8719 O=C1CCCOC2=C1C=CC(F)=C2 N12810 [0,1,0,1,0,0|2,0,0]=4 246 B14R2.8751 C[C@H]1CCC(=O)C2=C1C=CC(Cl)=C2 H11227 [0,1,0,1,0,0|1,0,0]=3 247 B14R2.10606 O=C(C1=CC=C(Br)C=C1)C2CNC2 P18660 [0,1,0,1,0,0|2,0,0]=4 248 B14R2.10606 O=C(C1=CC=C(Br)C=C1)N2CCC2 D87541 [0,1,0,1,0,0|1,0,0]=3 249 B14R2.10606 O=C(C1=CC=C(Cl)C=C1)C2CNC2 P12793 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.685 O=C1CCCOC2=C(Cl)C=CC=C12 N12722 [0,1,0,1,0,0|2,0,0]=4 251 B14R2.5637 CC1=CC2=C(C=C1)OCCCC2=O N12586 [0,1,0,1,0,0|2,0,0]=4 252 B14R2.5637 NC1=CC2=C(C=C1)CCCCC2=O 53981 [0,1,0,1,0,0|1,0,0]=3 253 B14R2.5637 O=C1CCCOC2=C1C=C(F)C=C2 N12500 [0,1,0,1,0,0|2,0,0]=4 254 B14R2.5637 O=C1CCCSC2=C1C=C(O)C=C2 D73655 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.5637 O=C1NCCNC2=C1C=C(Br)C=C2 AT21569 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.5637 O=C1NCCOC2=C1C=C(Cl)C=C2 AT15360 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.9036 O=C(CC1CC1)C2=CC=CC(Br)=C2 F50436 [0,1,0,1,0,0|1,0,0]=3 258 B14R2.9036 O=[S@](NC1CC1)C2=CC=CC(Br)=C2 N10256 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.29767 O=C(C1=CC=CC(F)=C1)C2CNC2 P15110 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.114 O=C(C1=CC=CC=C1)N2C=CCC2 C16231 [0,1,0,1,0,0|1,0,1]=4 261 B14R2.114 O=C(C1=CC=CC=C1)N2CC=CC2 C14918 [0,1,0,1,0,0|1,0,1]=4 262 B14R2.114 O=C(C1=CC=CC=C1)[C@@H]2CCCN2 C77887 [0,1,0,1,0,0|1,0,0]=3 263 B14R2.114 O=C(C1=CC=CC=C1)[C@H]2CCNC2 I11205 [0,1,0,1,0,0|1,0,0]=3 264 B14R2.792 O=C(OC[C@H]1CO1)C2=CC=CC=C2 56433 [0,1,0,1,0,0|0,0,0]=2 265 B14R2.1131 CCC1=NNC(=O)C2=C1C=CC=C2 F51106 [0,1,0,1,0,0|1,0,1]=4 266 B14R2.5540 C[C@@]1(C2=CC=CC=C2)CNCCO1 F18911 [0,1,0,1,0,0|1,0,1]=4 267 B14R2.5540 C[C@@]1(C2=CC=CC=C2)CNCCO1 F18912 [0,1,0,1,0,0|1,0,1]=4 268 B14R2.5540 N[C@@]1(C2=CC=CC=C2)CCCOC1 C93059 [0,1,0,1,0,0|1,0,1]=4 269 B14R2.24101 O=C1CCCCCC2=C1C=CC=C2 92621 [0,1,0,1,0,0|1,0,0]=3 270 B14R2.403 CC1(C)CN=C(C2=CC=CC=C2)O1 V10355 [0,1,0,1,0,0|1,0,1]=4 271 B14R2.44 NCCN1CC2=C(C=CC=C2)C1=O F52457 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.4633 NC1=C(C(=O)NC2CC2)C=CC=N1 AT20003 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [1,0,0,0,1,0|1,0,0]=3 274 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [1,0,0,0,1,0|2,0,0]=4 275 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [1,0,0,0,1,0|2,0,0]=4 276 B14R1.156 O=C(\C=C\C1=CC=CC=C1)NCCO C13775 [0,0,0,0,0,2|2,0,0]=4