0 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.8 CCCCCCC1=CC=NC=C1 O11233 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.8 CCCCCC[N+]1=CC=CC=C1 T72952 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.8 N#CCCCOC1=CC=CC=C1 20767 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.8 NCCCCOC1=CC=CC=C1 AB7703 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.8 OCCCC#CC1=CC=CC=C1 T72149 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.28 OCCCCC1=NC=CC=C1 30660 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.6 CCCCCCC1=CC=CC(N)=C1 F18190 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.9 ClC1=CC=C(OCCCCBr)C=C1 97806 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.9 NCCCCNC1=NC=C(Br)C=C1 52012 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 I11490 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.28 CCNCCNCC1=CC=CC=C1 AB2653 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 A12538 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 D97314 [0,1,0,0,0,0|0,0,2]=3 28 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 50047 [0,1,0,0,0,0|1,0,2]=4 29 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 C76122 [0,1,0,0,0,0|1,0,2]=4 30 B13R1.337 O=C(Cl)CCOCC1=CC=CC=C1 C11140 [0,1,0,0,0,0|1,0,2]=4 31 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 AT23512 [0,1,0,0,0,0|1,0,1]=3 32 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 W15237 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.718 CCC(=O)COCC1=CC=CC=C1 C74376 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.718 C[C@@H](CN)CNCC1=CC=CC=C1 T70173 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 36094 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 W15207 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 D94805 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 E10194 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 11730 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.1 NCC[C@H]1CNC2=C1C=CC=C2 26250 [0,0,0,1,0,0|2,0,0]=3 41 B13R2.1 OCCN1N=NC2=C1C=CC=C2 AB6126 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.3 C1=CC([C@@H]2CNCCO2)=CC=N1 C71091 [0,0,0,1,0,0|2,0,0]=3 43 B13R2.3 C1=CC([C@@H]2CNCCO2)=CN=C1 AR1103 [0,0,0,1,0,0|2,0,0]=3 44 B13R2.3 C1=CC([C@@H]2CSCCN2)=CN=C1 AR1700 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.3 C1=CC=C(B2OCCCO2)C=C1 D71701 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59907 [0,0,0,1,0,0|1,0,0]=2 47 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59908 [0,0,0,1,0,0|1,0,0]=2 48 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59949 [0,0,0,1,0,0|1,0,0]=2 49 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 N14324 [0,0,0,1,0,0|1,0,0]=2 50 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13065 [0,0,0,1,0,0|1,0,0]=2 51 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13093 [0,0,0,1,0,0|1,0,0]=2 52 B13R2.3 C1=CC=C([C@@H]2CNCCS2)C=C1 AR1250 [0,0,0,1,0,0|1,1,0]=3 53 B13R2.3 C1=CC=C([C@@H]2CSCCN2)C=C1 27200 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59523 [0,0,0,1,0,0|2,0,0]=3 55 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59524 [0,0,0,1,0,0|2,0,0]=3 56 B13R2.3 C1=CN=C(C2CCNCC2)C=C1 F30671 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 N11114 [0,0,0,1,0,0|2,0,0]=3 58 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 N11115 [0,0,0,1,0,0|2,0,0]=3 59 B13R2.3 C1=CN=C([C@@H]2CNCCO2)C=C1 C71090 [0,0,0,1,0,0|2,0,0]=3 60 B13R2.3 C1=CN=C([C@@H]2COCCN2)C=C1 Y10217 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 AB9935 [0,0,0,1,0,0|3,0,0]=4 62 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 E70402 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 F30672 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 F16894 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y10910 [0,0,0,1,0,0|2,0,0]=3 66 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y11048 [0,0,0,1,0,0|2,0,0]=3 67 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y11078 [0,0,0,1,0,0|2,0,0]=3 68 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y11585 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.3 C1=CN=CC([C@@H]2CNCCN2)=C1 AR2672 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.3 C1=CN=CC([C@@H]2CNCCN2)=C1 AR3944 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.15 NC1CCCC1C2=CC=CC=C2 C76071 [0,0,0,1,0,0|1,0,0]=2 72 B13R2.15 O=C1NCC[C@@H]1C2=CC=CC=C2 P19899 [0,0,0,1,0,0|1,0,2]=4 73 B13R2.15 OC1CCCC1C2=CC=CC=C2 78687 [0,0,0,1,0,0|0,0,0]=1 74 B13R2.15 O[C@H]1CNC[C@@H]1C2=CC=CC=C2 P14522 [0,0,0,1,0,0|1,0,0]=2 75 B13R2.64 C1=CC=C(CN2CCOC2)C=C1 T70230 [0,0,0,1,0,0|3,0,0]=4 76 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [0,0,0,1,0,0|1,0,0]=2 77 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [0,0,0,1,0,0|2,0,0]=3 78 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C77876 [0,0,0,1,0,0|3,0,0]=4 79 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C78595 [0,0,0,1,0,0|3,0,0]=4 80 B13R2.64 C1=CN=CC(C[C@H]2CCCN2)=C1 AR1097 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.64 C1=CN=CC(C[C@H]2CCNC2)=C1 AR1415 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.64 C1=CN=CC(C[C@H]2CCNC2)=C1 D80351 [0,0,0,1,0,0|3,0,0]=4 83 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 91524 [0,0,0,1,0,0|1,0,0]=2 84 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 C72386 [0,0,0,1,0,0|2,0,0]=3 85 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 C75091 [0,0,0,1,0,0|2,0,1]=4 86 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 C74345 [0,0,0,1,0,0|2,0,0]=3 87 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19863 [0,0,0,1,0,0|1,0,0]=2 88 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19864 [0,0,0,1,0,0|1,0,0]=2 89 B13R2.1613 O=C[C@@H]1CCCC2=C1C=CC=C2 F13198 [0,0,0,1,0,0|0,0,2]=3 90 B13R2.1613 O\N=C1/CCOC2=C1C=CC=C2 W11532 [0,0,0,1,0,0|2,0,1]=4 91 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 AB12161 [0,0,0,1,0,0|2,0,0]=3 92 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 C73722 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 D84539 [0,0,0,1,0,0|3,0,0]=4 94 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 S11057 [0,0,0,1,0,0|3,0,0]=4 95 B13R2.5252 N[C@H]1CCCCC2=C1C=CC=C2 20645 [0,0,0,1,0,0|1,0,0]=2 96 B13R2.5252 N[C@H]1CCCOC2=C1C=CC=C2 Y10940 [0,0,0,1,0,0|2,0,0]=3 97 B13R2.5252 O[C@H]1CCCOC2=C1C=CC=C2 A12238 [0,0,0,1,0,0|1,0,0]=2 98 B11R1.4 CCCCCCC1=CC=CN1 D93114 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.4 CCCCCCC1=CNN=C1 F17298 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.4 CCCCCCN1C=CN=C1 D70731 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.17 CCCOC1=CC=CC=C1 C75927 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|1,0,0]=3 104 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.17 CNNCC1=CC=CC=C1 30192 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.17 NCCCC1=CC=CN=C1 31799 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.17 NCCCC1=CC=NC=C1 S12068 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.17 OCCOC1=CN=CC=C1 D86242 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.17 SCCCC1=CC=NC=C1 F18251 [2,0,0,0,0,0|1,1,0]=4 111 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [2,0,0,0,0,0|1,0,1]=4 112 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.1 CCCCOC1=CN=C(Br)C=C1 A12893 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.1 COCCOC1=CC=C(O)C=C1 27038 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C13856 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.1 FC1=CC=C(OCCCCl)C=C1 D77782 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 VT1079 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.1 OCCCOC1=CC=C(Br)C=C1 88164 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.1 OCCNCC1=CC=C(F)C=C1 C80019 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [1,1,0,0,0,0|0,0,0]=2 126 B12R1.28 CCCCOC1=NC=CC(N)=C1 C76837 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 F21043 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.28 NCCCOC1=CC=CC(F)=C1 30687 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [1,1,0,0,0,0|0,0,0]=2 130 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [1,1,0,0,0,0|0,0,2]=4 135 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.267 FC1=C(OCCCBr)C=CC=C1 F50437 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.267 N#CCCCC1=C(F)C=CC=C1 20843 [1,1,0,0,0,0|1,0,1]=4 139 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [1,1,0,0,0,0|0,0,0]=2 140 B12R1.7 OCCOCCC1=CC=C(Br)S1 D94421 [0,1,0,0,1,0|2,0,0]=4 141 B12R1.37 SCCCCCCC1=CCC=C1 TD8104 [0,1,0,0,1,0|0,1,1]=4 142 B12R1.255 O=C(O)CCCCN1C=CC=C1 W18290 [0,1,0,0,1,0|1,0,1]=4 143 B14R1.148 O=C(O)CCCCC1=CC=CC(Br)=C1 21501 [0,2,0,0,0,0|0,0,1]=3 144 B14R1.443 CCCCCCC1=CC(O)=CC(O)=C1 D93503 [0,2,0,0,0,0|1,0,0]=3 145 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 C73219 [0,2,0,0,0,0|1,0,1]=4 146 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C76320 [0,2,0,0,0,0|1,0,1]=4 147 B14R1.677 O=C(O)CCCCC1=CC=C(Cl)C=C1 D80816 [0,2,0,0,0,0|0,0,1]=3 148 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 54011 [0,2,0,0,0,0|1,0,1]=4 149 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 C74734 [0,2,0,0,0,0|1,0,1]=4 150 B14R1.420 C=C(CCCC(=O)O)C1=CC=CC=C1 D94335 [0,2,0,0,0,0|0,0,2]=4 151 B14R1.420 N[C@@H](CCCC(=O)O)C1=CC=CC=C1 Y10467 [0,2,0,0,0,0|0,0,1]=3 152 B14R1.123 CCCCCCCCC1=CC=CN=C1 D82591 [0,2,0,0,0,0|2,0,0]=4 153 B14R1.123 CCCCCCCC[N+]1=CC=CC=C1 A10984 [0,2,0,0,0,0|2,0,0]=4 154 B14R1.123 O=CCCCCOCC1=CC=CC=C1 AB10127 [0,2,0,0,0,0|0,0,1]=3 155 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 D81803 [0,2,0,0,0,0|1,0,1]=4 156 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 W16162 [0,2,0,0,0,0|0,0,1]=3 157 B14R1.520 CN(CCO)CCOC1=CC=CC=C1 C71449 [0,2,0,0,0,0|1,0,0]=3 158 B14R1.520 OCC[C@H](O)COCC1=CC=CC=C1 T71263 [0,2,0,0,0,0|0,0,0]=2 159 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62361 [0,2,0,0,0,0|0,0,1]=3 160 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O D86826 [0,2,0,0,0,0|0,0,1]=3 161 B14R1.6449 C[C@H](O)C(=O)OCCC1=CC=CC=C1 73762 [0,2,0,0,0,0|1,0,1]=4 162 B14R1.6449 O=C(O)[C@@H](O)CCCC1=CC=CC=C1 W13072 [0,2,0,0,0,0|0,0,1]=3 163 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 85225 [0,2,0,0,0,0|1,0,1]=4 164 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [1,0,0,1,0,0|2,0,0]=4 165 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 31906 [1,0,0,1,0,0|2,0,0]=4 166 B12R2.1 OC[C@H]1CNC2=C1C=CC=C2 AB9481 [1,0,0,1,0,0|1,0,0]=3 167 B12R2.1 OC[C@H]1COC2=C1C=CN=C2 F12475 [1,0,0,1,0,0|2,0,0]=4 168 B12R2.2 C1=CC(C2OCCO2)=CN=C1 20730 [1,0,0,1,0,0|2,0,0]=4 169 B12R2.2 C1=CC([C@H]2CCNC2)=CC=N1 65604 [1,0,0,1,0,0|2,0,0]=4 170 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [1,0,0,1,0,0|1,0,0]=3 171 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [1,0,0,1,0,0|1,0,0]=3 172 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [1,0,0,1,0,0|1,0,0]=3 173 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [1,0,0,1,0,0|1,0,0]=3 174 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [1,0,0,1,0,0|1,0,0]=3 175 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [1,0,0,1,0,0|1,0,0]=3 176 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 65001 [1,0,0,1,0,0|2,0,0]=4 177 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3570 [1,0,0,1,0,0|2,0,0]=4 178 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11039 [1,0,0,1,0,0|2,0,0]=4 179 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11608 [1,0,0,1,0,0|2,0,0]=4 180 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 C11366 [1,0,0,1,0,0|2,0,0]=4 181 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3561 [1,0,0,1,0,0|2,0,0]=4 182 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3564 [1,0,0,1,0,0|2,0,0]=4 183 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10700 [1,0,0,1,0,0|2,0,0]=4 184 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10808 [1,0,0,1,0,0|2,0,0]=4 185 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y11611 [1,0,0,1,0,0|2,0,0]=4 186 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 AR1448 [1,0,0,1,0,0|2,0,0]=4 187 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,1,0,0|1,0,0]=3 188 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,1,0,0|0,0,2]=4 189 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [1,0,0,1,0,0|0,0,0]=2 190 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [1,0,0,1,0,0|0,0,0]=2 191 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [1,0,0,1,0,0|0,0,0]=2 192 B12R2.41 C1=CC2=C(C=C1)CCNCC2 52717 [1,0,0,1,0,0|1,0,0]=3 193 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [1,0,0,1,0,0|1,0,0]=3 194 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1052 [1,0,0,1,0,0|1,0,0]=3 195 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C73376 [1,0,0,1,0,0|1,0,0]=3 196 B12R2.41 C1=CC2=C(C=C1)SCCNC2 52662 [1,0,0,1,0,0|1,1,0]=4 197 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [1,0,0,1,0,0|2,0,0]=4 198 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [1,0,0,1,0,0|1,0,0]=3 199 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [1,0,0,1,0,0|1,0,0]=3 200 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [1,0,0,1,0,0|1,0,0]=3 201 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [1,0,0,1,0,0|1,0,0]=3 202 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [1,0,0,1,0,0|1,0,0]=3 203 B12R2.1081 N[C@H]1CCCC2=C1C=CN=C2 85239 [1,0,0,1,0,0|2,0,0]=4 204 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 82163 [1,0,0,1,0,0|2,0,0]=4 205 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50212 [1,0,0,1,0,0|2,0,0]=4 206 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50215 [1,0,0,1,0,0|2,0,0]=4 207 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 RB3334 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 39151 [1,0,0,1,0,0|2,0,0]=4 209 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [1,0,0,1,0,0|2,0,0]=4 210 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [1,0,0,1,0,0|2,0,0]=4 211 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [1,0,0,1,0,0|2,0,0]=4 212 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [1,0,0,1,0,0|2,0,0]=4 213 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [1,0,0,1,0,0|0,0,0]=2 217 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [1,0,0,1,0,0|0,0,0]=2 218 B12R2.1081 O[C@H]1CCCC2=C1C=CN=C2 53689 [1,0,0,1,0,0|1,0,0]=3 219 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [1,0,0,1,0,0|1,0,0]=3 220 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [1,0,0,1,0,0|1,0,0]=3 221 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [1,0,0,1,0,0|1,0,0]=3 222 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [1,0,0,1,0,0|1,0,0]=3 223 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [1,0,0,1,0,0|1,0,0]=3 224 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [1,0,0,1,0,0|1,0,0]=3 225 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 88509 [1,0,0,1,0,0|2,0,0]=4 226 B14R2.21 BrC1=CC(C2CCNCC2)=CC=C1 54480 [0,1,0,1,0,0|2,0,0]=4 227 B14R2.21 BrC1=CC(C2CCNCC2)=CC=C1 56933 [0,1,0,1,0,0|2,0,0]=4 228 B14R2.21 BrC1=CC([C@@H]2CCCCN2)=CC=C1 Y11793 [0,1,0,1,0,0|1,0,0]=3 229 B14R2.21 BrC1=CC([C@@H]2CNCCO2)=CC=C1 D85578 [0,1,0,1,0,0|1,0,0]=3 230 B14R2.21 BrC1=CN=CC([C@@H]2CCCCN2)=C1 N10434 [0,1,0,1,0,0|2,0,0]=4 231 B14R2.21 BrC1=CN=CC([C@@H]2CCCCN2)=C1 Y10951 [0,1,0,1,0,0|2,0,0]=4 232 B14R2.21 CC1=CC=CC(C2CCNCC2)=C1 59342 [0,1,0,1,0,0|2,0,0]=4 233 B14R2.21 CC1=CC=CC([C@@H]2CCCCN2)=C1 Y11790 [0,1,0,1,0,0|1,0,0]=3 234 B14R2.21 CC1=CC=CC([C@@H]2CCCCN2)=C1 Y11794 [0,1,0,1,0,0|1,0,0]=3 235 B14R2.21 CC1CNCC(C2=CC=CC=C2)O1 F17620 [0,1,0,1,0,0|1,0,0]=3 236 B14R2.21 CN1CCO[C@H](C2=CC=CC=C2)C1 F18891 [0,1,0,1,0,0|1,0,0]=3 237 B14R2.21 FC1=CC(C2CCNCC2)=CC=C1 58671 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.21 O=C1CCO[C@H](C2=CC=CC=C2)C1 25492 [0,1,0,1,0,0|0,0,1]=3 239 B14R2.21 OC1=CC(C2CCCCC2)=CC=C1 97838 [0,1,0,1,0,0|1,0,0]=3 240 B14R2.21 OC1=CC(C2CCNCC2)=CC=C1 F13613 [0,1,0,1,0,0|2,0,0]=4 241 B14R2.21 OC1=CC(N2CCCCC2)=CC=C1 35445 [0,1,0,1,0,0|2,0,0]=4 242 B14R2.716 NC1=CC=CC(OC2CCCC2)=C1 F20086 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.8719 O=C1CCCCC2=C1C=CC(Cl)=C2 F13419 [0,1,0,1,0,0|0,0,2]=4 244 B14R2.68 BrC1=CC=C([C@@H]2CC=CCO2)C=C1 88341 [0,1,0,1,0,0|0,0,2]=4 245 B14R2.68 BrC1=CC=C([C@@H]2CCCCN2)C=C1 Y13691 [0,1,0,1,0,0|1,0,0]=3 246 B14R2.68 BrC1=CC=C([C@@H]2CNCCO2)C=C1 87846 [0,1,0,1,0,0|1,0,0]=3 247 B14R2.68 BrC1=CC=C([C@@H]2COCCN2)C=C1 N13098 [0,1,0,1,0,0|2,0,0]=4 248 B14R2.68 BrC1=CC=C([C@H]2CCCNC2)C=C1 C10436 [0,1,0,1,0,0|2,0,0]=4 249 B14R2.68 BrC1=CC=C([C@H]2CCCNC2)C=C1 I11346 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.68 BrC1=CC=C([C@H]2CCCNC2)C=C1 W17645 [0,1,0,1,0,0|2,0,0]=4 251 B14R2.68 BrC1=CN=C([C@@H]2CCCCN2)C=C1 Y12863 [0,1,0,1,0,0|2,0,0]=4 252 B14R2.68 CC1=CC=C([C@@H]2COCCN2)C=C1 AR1481 [0,1,0,1,0,0|2,0,0]=4 253 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 83568 [0,1,0,1,0,0|2,0,0]=4 254 B14R2.68 ClC1=CC=C(C2CCNCC2)C=C1 58243 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.68 ClC1=CC=C([C@@H]2CCCCN2)C=C1 AR1022 [0,1,0,1,0,0|1,0,0]=3 256 B14R2.68 ClC1=CC=C([C@@H]2CCCCN2)C=C1 Y11885 [0,1,0,1,0,0|1,0,0]=3 257 B14R2.68 ClC1=CC=C([C@@H]2CCCCN2)C=C1 Y11886 [0,1,0,1,0,0|1,0,0]=3 258 B14R2.68 ClC1=CC=C([C@@H]2CNCCN2)C=C1 AR2675 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.68 ClC1=CC=C([C@@H]2COCCN2)C=C1 AR1475 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.68 FC1=CC=C([C@@H]2CCCCN2)C=C1 AR1025 [0,1,0,1,0,0|1,0,0]=3 261 B14R2.68 FC1=CC=C([C@@H]2CCCCN2)C=C1 Y11792 [0,1,0,1,0,0|1,0,0]=3 262 B14R2.68 FC1=CC=C([C@@H]2CCCCN2)C=C1 Y11795 [0,1,0,1,0,0|1,0,0]=3 263 B14R2.68 FC1=CC=C([C@@H]2CNCCN2)C=C1 57829 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.68 FC1=CC=C([C@@H]2CNCCS2)C=C1 AR1259 [0,1,0,1,0,0|1,1,0]=4 265 B14R2.68 FC1=CC=C([C@@H]2CNCCS2)C=C1 AR3917 [0,1,0,1,0,0|1,1,0]=4 266 B14R2.68 FC1=CC=C([C@@H]2COCCN2)C=C1 53040 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.68 FC1=CC=C([C@@H]2COCCN2)C=C1 AR1478 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.68 FC1=CC=C([C@@H]2CSCCN2)C=C1 AR1706 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.68 FC1=CC=C([C@H]2CCCNC2)C=C1 W17668 [0,1,0,1,0,0|2,0,0]=4 270 B14R2.68 IC1=CC=C(N2CCCCC2)C=C1 A10114 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.68 NC1=CC=C([C@H]2CCCNC2)C=C1 31764 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.68 NC1=CC=C([C@H]2CCCNC2)C=C1 67287 [0,1,0,1,0,0|2,0,0]=4 273 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 AB9890 [0,1,0,1,0,0|1,0,0]=3 274 B14R2.68 NC1CCN(C2=CC=CC=C2)CC1 I10212 [0,1,0,1,0,0|2,0,0]=4 275 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 C75481 [0,1,0,1,0,0|1,0,1]=4 276 B14R2.68 O=C1CO[C@H](C2=CC=CC=C2)CN1 O11626 [0,1,0,1,0,0|1,0,1]=4 277 B14R2.68 OC1=CC=C(C2CCNCC2)C=C1 65276 [0,1,0,1,0,0|2,0,0]=4 278 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 84300 [0,1,0,1,0,0|1,0,0]=3 279 B14R2.68 OC1CCN(C2=CC=CC=C2)CC1 F13286 [0,1,0,1,0,0|2,0,0]=4 280 B14R2.68 OC1COC(C2=CC=CC=C2)OC1 T71911 [0,1,0,1,0,0|1,0,0]=3 281 B14R2.72 CC1=CC=C(C[C@H]2CCNC2)C=C1 AR1427 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.72 ClC1=CC=C(C[C@H]2CCNC2)C=C1 AR1421 [0,1,0,1,0,0|2,0,0]=4 283 B14R2.72 FC1=CC=C(C[C@H]2CCNC2)C=C1 70357 [0,1,0,1,0,0|2,0,0]=4 284 B14R2.72 FC1=CC=C(C[C@H]2CCNC2)C=C1 AR1424 [0,1,0,1,0,0|2,0,0]=4 285 B14R2.926 CN1CCC[C@H]1C2=CC=C(Br)C=C2 88310 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.5637 CC1=CC2=C(C=C1)NCCC[C@@H]2N 26894 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.5637 C[C@H]1CNCCC2=C1C=C(Cl)C=C2 81223 [0,1,0,1,0,0|2,0,0]=4 288 B14R2.5637 O=C1CCCCC2=C1C=C(Br)C=C2 N12907 [0,1,0,1,0,0|0,0,2]=4 289 B14R2.11684 CC1=CC2=C(C=C1)CCC\C2=N/O F53495 [0,1,0,1,0,0|1,0,1]=4 290 B14R2.114 C[C@@H](C1=CC=CC=C1)N2CCCC2 D95887 [0,1,0,1,0,0|2,0,0]=4 291 B14R2.5540 CC1(C2=CC=CC=C2)CCNCC1 O11265 [0,1,0,1,0,0|2,0,0]=4 292 B14R2.5540 O[C@@]1(C2=CC=CC=C2)CCCNC1 88076 [0,1,0,1,0,0|2,0,0]=4 293 B14R2.3 C#CCN[C@H]1CCC2=C1C=CC=C2 32567 [0,1,0,1,0,0|1,0,1]=4 294 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 78414 [0,1,0,1,0,0|0,0,2]=4 295 B14R2.3 OCCCN1N=NC2=C1C=CC=C2 D84527 [0,1,0,1,0,0|2,0,0]=4 296 B14R2.6 C1=CC=C(C[C@H]2CCCCN2)C=C1 73429 [0,1,0,1,0,0|1,0,0]=3 297 B14R2.6 C1=CC=C(C[C@H]2CNCCN2)C=C1 AT17628 [0,1,0,1,0,0|1,0,0]=3 298 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 98131 [0,1,0,1,0,0|0,0,0]=2 299 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 77673 [0,1,0,1,0,0|1,0,0]=3 300 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 FD6024 [0,1,0,1,0,0|1,0,0]=3 301 B14R2.6 C1=CC=C(O[C@H]2CCCNC2)C=C1 AR1493 [0,1,0,1,0,0|2,0,0]=4 302 B14R2.6 C1=CC=C(SC2CCNCC2)C=C1 AR1838 [0,1,0,1,0,0|2,0,0]=4 303 B14R2.6 C1=CN=CC(CC2CCNCC2)=C1 AR1811 [0,1,0,1,0,0|2,0,0]=4 304 B14R2.6 C1=CN=CC(C[C@H]2CCCNC2)=C1 AR1514 [0,1,0,1,0,0|2,0,0]=4 305 B14R2.24 BrC1=C(C2CCNCC2)C=CC=C1 67190 [0,1,0,1,0,0|2,0,0]=4 306 B14R2.24 CC1=C([C@@H]2CCCCN2)C=CC=C1 Y11704 [0,1,0,1,0,0|1,0,0]=3 307 B14R2.24 CC1=C([C@@H]2CCCCN2)C=CC=C1 Y11791 [0,1,0,1,0,0|1,0,0]=3 308 B14R2.24 ClC1=C(C2CCNCC2)C=CC=C1 C71021 [0,1,0,1,0,0|2,0,0]=4 309 B14R2.24 ClC1=C([C@@H]2CNCCO2)C=CC=C1 AR1121 [0,1,0,1,0,0|1,0,0]=3 310 B14R2.24 ClC1=C([C@@H]2CNCCS2)C=CC=C1 AR1265 [0,1,0,1,0,0|1,1,0]=4 311 B14R2.24 ClC1=C([C@@H]2COCCN2)C=CC=C1 AR1490 [0,1,0,1,0,0|2,0,0]=4 312 B14R2.24 FC1=C(C2CCNCC2)C=CC=C1 D82684 [0,1,0,1,0,0|2,0,0]=4 313 B14R2.24 FC1=C([C@@H]2CCCCN2)C=CC=C1 75247 [0,1,0,1,0,0|1,0,0]=3 314 B14R2.24 FC1=C([C@@H]2CCCCN2)C=CC=C1 O10457 [0,1,0,1,0,0|1,0,0]=3 315 B14R2.24 O=C1CCCCN1C2=CC=CC=C2 C12699 [0,1,0,1,0,0|0,0,2]=4 316 B14R2.24 OC1=C(C2CCNCC2)C=CC=C1 C73074 [0,1,0,1,0,0|2,0,0]=4 317 B14R2.24 OC1=C(C2CCNCC2)C=CC=C1 C73076 [0,1,0,1,0,0|2,0,0]=4 318 B14R2.24 OC1CCCCC1C2=CC=CC=C2 C12012 [0,1,0,1,0,0|0,0,0]=2 319 B14R2.24 O[C@H]1CCCC[C@@H]1C2=CC=CC=C2 T72125 [0,1,0,1,0,0|0,0,0]=2 320 B14R2.24 O[C@H]1CCCC[C@@H]1C2=CC=CC=C2 T72336 [0,1,0,1,0,0|0,0,0]=2 321 B14R2.30 S=C1CCCN1CC2=CC=CC=C2 W15685 [0,1,0,1,0,0|0,1,1]=4 322 B14R2.31 NC1CCC1OCC2=CC=CC=C2 94998 [0,1,0,1,0,0|1,0,0]=3 323 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 P10844 [0,1,0,1,0,0|0,0,2]=4 324 B14R2.101 C1=CC=C(CC[C@H]2CCNC2)C=C1 AR1439 [0,1,0,1,0,0|1,0,0]=3 325 B14R2.101 C1=CC=C(CO[C@H]2CCNC2)C=C1 20897 [0,1,0,1,0,0|2,0,0]=4 326 B14R2.101 C1=CC=C(OC[C@H]2CCCN2)C=C1 C77851 [0,1,0,1,0,0|1,0,0]=3 327 B14R2.3018 C1=CC=C(COCC[C@H]2CO2)C=C1 A10556 [0,1,0,1,0,0|0,0,0]=2 328 B14R2.3019 C1=CC=C(COCC2COC2)C=C1 20490 [0,1,0,1,0,0|1,0,0]=3 329 B14R2.7150 OCCN1CCCC2=C1C=CC=C2 D96059 [0,1,0,1,0,0|0,0,0]=2 330 B14R2.436 BrC1CC(OCC2=CC=CC=C2)C1 P13021 [0,1,0,1,0,0|2,0,0]=4 331 B14R2.436 FC1CC(OCC2=CC=CC=C2)C1 80464 [0,1,0,1,0,0|2,0,0]=4 332 B14R2.436 N[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 81155 [0,1,0,1,0,0|2,0,0]=4 333 B14R2.436 N[C@H]1C[C@H](OCC2=CC=CC=C2)C1 81379 [0,1,0,1,0,0|2,0,0]=4 334 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 P13161 [0,1,0,1,0,0|1,0,0]=3 335 B14R2.90 NCC1CN(CC2=CC=CC=C2)C1 I11850 [0,1,0,1,0,0|2,0,0]=4 336 B14R2.2 O=C(O)C[C@H]1CCC2=C1C=CC=C2 20582 [0,1,0,1,0,0|0,0,1]=3 337 B14R2.31359 O=C(O)[C@@H]1CCOC2=C1C=CC=C2 F20640 [0,1,0,1,0,0|1,0,1]=4 338 B14R2.31359 O=C(O)[C@@H]1CNCC2=C1C=CC=C2 F19642 [0,1,0,1,0,0|1,0,1]=4 339 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 66508 [0,1,0,1,0,0|1,0,1]=4 340 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 66509 [0,1,0,1,0,0|1,0,1]=4 341 B14R2.50 NC1=C(NC2CCCC2)C=CC=C1 W12137 [0,1,0,1,0,0|2,0,0]=4 342 B14R2.296 O=C1CCC[C@@H]1C2=C(Cl)C=CC=C2 P15939 [0,1,0,1,0,0|0,0,2]=4 343 B14R2.279 NC1C2=C(C=CC=C2)CCCC1O F14464 [0,1,0,1,0,0|1,0,0]=3 344 B14R2.3459 NC[C@]1(O)CCOC2=C1C=CC=C2 C16394 [0,1,0,1,0,0|2,0,0]=4 345 B14R3.2531 C1=CC2=C(C=C1)[C@@H]3CNC[C@H]2C3 N13356 [0,0,0,2,0,0|2,0,0]=4 346 B14R3.2936 C1=CC=C(C23CNCC2C3)C=C1 33742 [0,0,0,2,0,0|2,0,0]=4