0 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 AC6619 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,0,0,0,0,0|0,0,2]=3 24 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.17 CNNCC1=CC=CN=C1 30189 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,0,0,0,0,0|0,0,2]=3 70 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74243 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74244 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74245 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11603 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11639 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 N10600 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66824 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 Y10286 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42875 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 D81217 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.16 N#CC[C@H](N)C1=CC=C(Br)C=C1 Y14253 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.16 N#CC[C@H](N)C1=CC=C(Cl)C=C1 Y14262 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.16 N#CC[C@H](N)C1=CC=C(F)C=C1 Y14259 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 11356 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55910 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58176 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58178 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61118 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.16 O[C@@H](CCCl)C1=CC=C(F)C=C1 Y10754 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66831 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y14263 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y14267 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y14254 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51811 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55916 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57811 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57812 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 11345 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 61121 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62495 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 AC8875 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [0,1,0,0,0,0|1,0,2]=4 108 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [0,1,0,0,0,0|1,0,1]=3 112 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.39 C#CC[C@](C)(O)C1=CN=CC=C1 AC7139 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.39 C#CC[C@](C)(O)C1=NC=CC=C1 AC6331 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 C75972 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y14255 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y14266 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.308 NC1=C([C@@H](N)CCO)C=CC=C1 51813 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58179 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.2 C1=CC([C@H]2CCNC2)=CC=N1 65604 [0,0,0,1,0,0|1,0,0]=2 135 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,0,0,1,0,0|2,0,0]=3 136 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,0,0,1,0,0|2,0,0]=3 137 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,0,0,1,0,0|2,0,0]=3 138 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [0,0,0,1,0,0|0,0,0]=1 139 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [0,0,0,1,0,0|0,0,0]=1 140 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [0,0,0,1,0,0|0,0,0]=1 141 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 65001 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3570 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11039 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11608 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 C11366 [0,0,0,1,0,0|1,0,0]=2 146 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3561 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3564 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10700 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10808 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y11611 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 AR1448 [0,0,0,1,0,0|1,0,0]=2 152 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [0,0,0,1,0,0|3,0,0]=4 158 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [0,0,0,1,0,0|2,0,0]=3 159 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [0,0,0,1,0,0|2,0,0]=3 161 B12R2.116 FC1(C2=CC=CC=C2)CNC1 85150 [0,0,0,1,0,0|1,0,0]=2 162 B12R2.116 NC1(C2=CC=CC=C2)COC1 59767 [0,0,0,1,0,0|2,0,0]=3 163 B12R2.116 NC1(C2=CN=CC=C2)COC1 P16017 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.116 OC1(C2=CC=CC=C2)CNC1 38604 [0,0,0,1,0,0|1,0,0]=2 165 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,0,0,1,0,0|2,0,0]=3 167 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,0,0,1,0,0|2,0,0]=3 168 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,0,0,1,0,0|0,0,0]=1 169 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,0,0,1,0,0|0,0,0]=1 170 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,0,0,1,0,0|0,0,0]=1 171 B12R2.1081 N[C@H]1CCCC2=C1C=CN=C2 85239 [0,0,0,1,0,0|3,0,0]=4 172 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 82163 [0,0,0,1,0,0|3,0,0]=4 173 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50212 [0,0,0,1,0,0|3,0,0]=4 174 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50215 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 RB3334 [0,0,0,1,0,0|3,0,0]=4 176 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 39151 [0,0,0,1,0,0|3,0,0]=4 177 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [0,0,0,1,0,0|3,0,0]=4 178 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [0,0,0,1,0,0|3,0,0]=4 179 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,0,0,1,0,0|3,0,0]=4 180 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,0,0,1,0,0|3,0,0]=4 181 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [0,0,0,1,0,0|1,0,0]=2 182 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,0,0,1,0,0|2,0,0]=3 183 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,0,0,1,0,0|2,0,0]=3 184 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [0,0,0,1,0,0|2,0,1]=4 185 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,0,0,1,0,0|2,0,0]=3 186 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,0,0,1,0,0|2,0,0]=3 187 B12R2.1081 O[C@H]1CCCC2=C1C=CN=C2 53689 [0,0,0,1,0,0|3,0,0]=4 188 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,0,0,1,0,0|3,0,0]=4 189 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,0,0,1,0,0|3,0,0]=4 190 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,0,0,1,0,0|2,0,0]=3 191 B12R2.2028 CN1C=C(Cl)C2=C1C=CC=C2 AB10986 [0,0,0,1,0,0|1,0,2]=4 192 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 C76285 [0,0,0,1,0,0|1,0,1]=3 193 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 24258 [0,0,0,1,0,0|2,0,1]=4 194 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 87996 [0,0,0,1,0,0|2,0,1]=4 195 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,0,0,1,0,0|2,0,1]=4 196 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,0,0,1,0,0|3,0,0]=4 197 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10002 [0,0,0,1,0,0|2,0,0]=3 198 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10011 [0,0,0,1,0,0|2,0,0]=3 199 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10344 [0,0,0,1,0,0|2,0,0]=3 200 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 29809 [0,0,0,1,0,0|3,0,0]=4 201 B12R1.32 C#CCN(C)CC1=CC=CC=C1 29243 [0,0,0,0,0,1|2,0,1]=4 202 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,0,0,0,0,1|2,0,1]=4 203 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,0,0,0,0,1|2,0,0]=3 204 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,0,0,0,0,1|2,0,0]=3 205 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [2,0,0,0,0,0|0,0,0]=2 207 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.8 BrCCC1=CC=NC=C1 C71689 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.8 CCNC1=CC=CN=C1 C15578 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.8 CNCC1=CC=NC=C1 AR1712 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.8 CNCC1=CN=NC=C1 P16258 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.8 CNCC1=NC=CC=N1 W11490 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.8 ClCCC1=CC=NC=C1 O11064 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.8 NCCC1=NC=CC=N1 P15951 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.8 NCCC1=NC=CN=C1 AR1061 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.8 NCCC1=NC=NC=C1 P18517 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.8 NNCC1=CC=CN=C1 78930 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.8 NNCC1=CC=NC=C1 37009 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.8 NNCC1=CC=NC=C1 BL009189 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.8 NNCC1=NC=CC=C1 78929 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.8 NOCC1=CN=CC=C1 AC6038 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [2,0,0,0,0,0|0,0,2]=4 240 B11R1.7 CC(C)(CN)C1=NC=CC=C1 D83381 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 66215 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.7 NCC(F)(F)C1=CC=CC=C1 P11064 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.7 NCC(F)(F)C1=NC=CC=C1 C11454 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P10677 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P19948 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [1,1,0,0,0,0|0,0,0]=2 247 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [1,1,0,0,0,0|0,0,0]=2 248 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [1,1,0,0,0,0|0,0,0]=2 276 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [1,1,0,0,0,0|0,0,0]=2 277 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [1,1,0,0,0,0|0,0,0]=2 278 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [1,1,0,0,0,0|0,0,0]=2 279 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [1,1,0,0,0,0|0,0,0]=2 281 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [1,1,0,0,0,0|0,0,0]=2 282 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [1,1,0,0,0,0|0,0,0]=2 283 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11093 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11094 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11207 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10647 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10654 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y12450 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12113 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12114 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12864 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [1,1,0,0,0,0|0,0,0]=2 333 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [1,1,0,0,0,0|0,0,0]=2 335 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [1,1,0,0,0,0|0,0,0]=2 336 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [1,1,0,0,0,0|0,0,0]=2 337 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [1,1,0,0,0,0|0,0,0]=2 338 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [1,1,0,0,0,0|0,0,0]=2 339 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [1,1,0,0,0,0|0,0,0]=2 340 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [1,1,0,0,0,0|0,0,0]=2 341 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13444 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10361 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11040 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11042 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 N11209 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 Y10525 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 F16952 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 I11003 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10108 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10643 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 F16917 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N11105 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10686 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10867 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 Y10947 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.23 OC[C@H](Cl)C1=CC=CC(Cl)=C1 58254 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58256 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [1,1,0,0,0,0|1,0,1]=4 360 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [1,1,0,0,0,0|0,0,1]=3 369 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [1,1,0,0,0,0|0,0,0]=2 370 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D80972 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D81235 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N11177 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.222 CC1=C([C@@H](O)CN)C=CC=C1 AR2909 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [1,1,0,0,0,0|0,0,0]=2 392 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11428 [1,1,0,0,0,0|0,0,0]=2 393 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11555 [1,1,0,0,0,0|0,0,0]=2 394 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y12189 [1,1,0,0,0,0|0,0,0]=2 395 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y13379 [1,1,0,0,0,0|0,0,0]=2 396 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y14597 [1,1,0,0,0,0|0,0,0]=2 397 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 H11712 [1,1,0,0,0,0|0,0,0]=2 398 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12637 [1,1,0,0,0,0|0,0,0]=2 399 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 AC1512 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81268 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81404 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12047 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12048 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11089 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11090 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y10773 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y13361 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 D83963 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11002 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11143 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y10336 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y12049 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [1,1,0,0,0,0|0,0,0]=2 421 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,1,0,0,0,0|0,0,0]=2 452 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.28 OCCCCC1=NC=CC=C1 30660 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.29 CNCC[C@H](O)C1=CC=CS1 C71538 [0,1,0,0,1,0|2,0,0]=4 466 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,1,0,0,0,1|1,0,1]=4 467 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53132 [0,1,0,0,0,1|1,0,0]=3 468 B13R1.405 CN(C)[C@@H](CCO)C1=CC=CC=C1 FD1319 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.532 COC(=O)[C@H](CBr)C1=CC=CC=C1 W17258 [0,2,0,0,0,0|1,0,1]=4 470 B13R1.713 CN[C@@H](CN(C)C)C1=CC=CC=C1 AR3530 [0,2,0,0,0,0|0,0,0]=2 471 B13R1.17 O[C@@H](CCCCl)C1=CC=C(Br)C=C1 88329 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.21 COC(=O)[C@H](C)C1=CC=C(N)C=C1 20786 [0,2,0,0,0,0|1,0,1]=4 473 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 Y11434 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 Y11435 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.452 CCC[C@H](O)C1=CC=C(OC)C=C1 W12543 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.1511 CCC[C@H](N)C1=C(C)C=C(F)C=C1 N11314 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.1511 CCC[C@H](N)C1=C(C)C=C(F)C=C1 Y11998 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.1511 CCC[C@H](N)C1=C(C)C=C(F)C=C1 Y11999 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.18 COCCN(C)C1=CC(N)=CC=C1 D80503 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.22 COC(=O)[C@H](C)C1=CC=CC(Br)=C1 I11128 [0,2,0,0,0,0|1,0,1]=4 481 B13R1.30 C#CC[C@](C)(O)C1=CC=CC(Br)=C1 AC3866 [0,2,0,0,0,0|1,0,1]=4 482 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y12264 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13330 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13336 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y11992 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y12041 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y13017 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12444 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12445 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12605 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y13328 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y13334 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.446 CCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12168 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.446 CCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12169 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.446 CCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12932 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.446 CCC[C@H](N)C1=C(F)C=CC(Br)=C1 Y12949 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.446 CCC[C@H](N)C1=C(O)C=CC(F)=C1 Y11996 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.446 CCC[C@H](N)C1=C(O)C=CC(F)=C1 Y11997 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.446 CCC[C@H](N)C1=C(O)C=CC(F)=C1 Y13006 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.450 CCC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12544 [0,2,0,0,0,0|2,0,0]=4 501 B13R1.450 CCC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12545 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.450 CCC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12859 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,2,0,0,0,0|1,0,1]=4 504 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y11662 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.152 CN(C)C(=O)[C@H](N)C1=CC=CC=C1 C12625 [0,2,0,0,0,0|1,0,1]=4 506 B13R1.152 CN(C)C(=O)[C@H](O)C1=CC=CC=C1 C73823 [0,2,0,0,0,0|1,0,1]=4 507 B13R1.708 COC(=O)[C@](C)(O)C1=CC=CC=C1 D94972 [0,2,0,0,0,0|1,0,1]=4 508 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 D73877 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 C13510 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.201 CC(C)C[C@H](N)C1=C(N)C=CC=C1 F52561 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.4453 CCC[C@H](N)C1=C(Br)C=CC=C1F Y12320 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.4453 CCC[C@H](N)C1=C(Br)C=CC=C1F Y12856 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.4453 CCC[C@H](N)C1=C(Br)C=CC=C1F Y13332 [0,2,0,0,0,0|2,0,0]=4 515 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [1,0,0,1,0,0|0,0,2]=4 516 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|0,0,2]=4 517 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|1,0,0]=3 518 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,1,0,0|0,0,0]=2 519 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [1,0,0,1,0,0|0,0,0]=2 520 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [1,0,0,1,0,0|2,0,0]=4 521 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [1,0,0,1,0,0|2,0,0]=4 522 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [1,0,0,1,0,0|2,0,0]=4 523 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [1,0,0,1,0,0|2,0,0]=4 524 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|1,0,0]=3 525 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [1,0,0,1,0,0|2,0,0]=4 526 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [1,0,0,1,0,0|2,0,0]=4 527 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [1,0,0,1,0,0|2,0,0]=4 528 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [1,0,0,1,0,0|2,0,0]=4 529 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [1,0,0,1,0,0|2,0,0]=4 530 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [1,0,0,1,0,0|0,0,0]=2 531 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [1,0,0,1,0,0|0,0,0]=2 532 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [1,0,0,1,0,0|0,0,0]=2 533 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [1,0,0,1,0,0|0,0,0]=2 534 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [1,0,0,1,0,0|0,0,0]=2 535 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [1,0,0,1,0,0|1,0,0]=3 536 B11R2.40 NC1(C2=CC=CN=C2)CC1 E10032 [1,0,0,1,0,0|2,0,0]=4 537 B11R2.40 NC1(C2=CC=NC=C2)CC1 38295 [1,0,0,1,0,0|2,0,0]=4 538 B11R2.40 NC1(C2=NC=CC=C2)CC1 59909 [1,0,0,1,0,0|2,0,0]=4 539 B11R2.239 C1=CC(C2CNC2)=CC=N1 84193 [1,0,0,1,0,0|1,0,0]=3 540 B11R2.239 C1=CC(C2CNC2)=NC=N1 59757 [1,0,0,1,0,0|2,0,0]=4 541 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [1,0,0,1,0,0|0,0,0]=2 542 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [1,0,0,1,0,0|1,0,0]=3 543 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,1,0,0|0,0,0]=2 544 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [1,0,0,1,0,0|1,0,0]=3 545 B11R2.239 C1=CN=C(C2CNC2)N=C1 89301 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [1,0,0,1,0,0|1,0,0]=3 547 B11R2.239 C1=NC=C(C2CNC2)C=N1 85627 [1,0,0,1,0,0|2,0,0]=4 548 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [1,0,0,1,0,0|0,0,2]=4 549 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [1,0,0,1,0,0|1,0,0]=3 550 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [1,0,0,1,0,0|1,0,0]=3 551 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [1,0,0,1,0,0|1,0,0]=3 552 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [1,0,0,1,0,0|1,0,0]=3 553 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [1,0,0,1,0,0|2,0,0]=4 554 B11R2.20 C1=NC=C2CNCCC2=N1 24629 [1,0,0,1,0,0|2,0,0]=4 555 B11R2.20 C1=NC=C2CNCCC2=N1 35879 [1,0,0,1,0,0|2,0,0]=4 556 B11R2.20 C1=NC=C2CNCCC2=N1 SC2801 [1,0,0,1,0,0|2,0,0]=4 557 B13R2.15 NC1CCCC1C2=CC=CC=C2 C76071 [0,0,0,1,0,1|2,0,0]=4 558 B13R2.15 OC1CCCC1C2=CC=CC=C2 78687 [0,0,0,1,0,1|2,0,0]=4 559 B13R2.15 O[C@H]1CNC[C@@H]1C2=CC=CC=C2 P14522 [0,0,0,1,0,1|1,0,0]=3 560 B13R2.26 CNCC1=NC2=C(C=CC=C2)S1 71599 [0,0,0,1,0,1|1,0,1]=4 561 B13R2.26 COC[C@H]1CC2=C(C=CC=C2)N1 20875 [0,0,0,1,0,1|1,0,0]=3 562 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67223 [0,0,0,1,0,1|2,0,0]=4 563 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [0,0,0,1,0,1|2,0,0]=4 564 B13R2.31 OC1CC(CC2=CC=CC=C2)C1 67206 [0,0,0,1,0,1|2,0,0]=4 565 B13R2.64 C1=CC(O[C@H]2CCNC2)=CC=N1 AB9979 [0,0,0,1,0,1|1,0,0]=3 566 B13R2.64 C1=CC(O[C@H]2CCNC2)=CN=C1 AB9976 [0,0,0,1,0,1|1,0,0]=3 567 B13R2.64 C1=CC=C(CN2CCOC2)C=C1 T70230 [0,0,0,1,0,1|2,0,0]=4 568 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [0,0,0,1,0,1|2,0,0]=4 569 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [0,0,0,1,0,1|0,0,0]=2 570 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C77876 [0,0,0,1,0,1|0,0,0]=2 571 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C78595 [0,0,0,1,0,1|0,0,0]=2 572 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 20293 [0,0,0,1,0,1|1,0,0]=3 573 B13R2.64 C1=CN=CC(C[C@H]2CCNC2)=C1 AR1415 [0,0,0,1,0,1|1,0,0]=3 574 B13R2.64 C1=CN=CC(C[C@H]2CCNC2)=C1 D80351 [0,0,0,1,0,1|1,0,0]=3 575 B13R2.221 NC1(CC2=CC=CC=C2)COC1 P15365 [0,0,0,1,0,1|2,0,0]=4 576 B13R2.221 OC1(CC2=NC=CC=C2)CNC1 D79145 [0,0,0,1,0,1|2,0,0]=4 577 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [0,0,0,1,0,1|1,0,1]=4 578 B13R2.328 C[C@H]1CC(=O)C2=C(C=CC=C2)N1 72373 [0,0,0,1,0,1|2,0,0]=4 579 B13R2.1 NCC[C@H]1CNC2=C1C=CC=C2 26250 [0,1,0,1,0,0|2,0,0]=4 580 B13R2.3 C1=CC(C2CCNCC2)=NC=N1 F15209 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.3 C1=CC([C@@H]2CNCCO2)=CC=N1 C71091 [0,1,0,1,0,0|1,0,0]=3 582 B13R2.3 C1=CC([C@@H]2CNCCO2)=CN=C1 AR1103 [0,1,0,1,0,0|1,0,0]=3 583 B13R2.3 C1=CC([C@@H]2CSCCN2)=CN=C1 AR1700 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59907 [0,1,0,1,0,0|1,0,0]=3 585 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59908 [0,1,0,1,0,0|1,0,0]=3 586 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59949 [0,1,0,1,0,0|1,0,0]=3 587 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 N14324 [0,1,0,1,0,0|1,0,0]=3 588 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13065 [0,1,0,1,0,0|0,0,0]=2 589 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13093 [0,1,0,1,0,0|0,0,0]=2 590 B13R2.3 C1=CC=C([C@@H]2CNCCS2)C=C1 AR1250 [0,1,0,1,0,0|0,0,0]=2 591 B13R2.3 C1=CC=C([C@@H]2CSCCN2)C=C1 27200 [0,1,0,1,0,0|1,0,0]=3 592 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59523 [0,1,0,1,0,0|0,0,0]=2 593 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59524 [0,1,0,1,0,0|0,0,0]=2 594 B13R2.3 C1=CN=C(C2CCNCC2)C=C1 F30671 [0,1,0,1,0,0|1,0,0]=3 595 B13R2.3 C1=CN=C(C2CCNCC2)N=C1 26645 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 N11114 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 N11115 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.3 C1=CN=C([C@@H]2CNCCO2)C=C1 C71090 [0,1,0,1,0,0|1,0,0]=3 599 B13R2.3 C1=CN=C([C@@H]2COCCN2)C=C1 Y10217 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 AB9935 [0,1,0,1,0,0|1,0,0]=3 601 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 E70402 [0,1,0,1,0,0|1,0,0]=3 602 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 F30672 [0,1,0,1,0,0|1,0,0]=3 603 B13R2.3 C1=CN=CC(N2CCNCC2)=C1 25228 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 F16894 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y10910 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y11048 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y11078 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y11585 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.3 C1=CN=CC([C@@H]2CNCCN2)=C1 AR2672 [0,1,0,1,0,0|1,0,0]=3 610 B13R2.3 C1=CN=CC([C@@H]2CNCCN2)=C1 AR3944 [0,1,0,1,0,0|1,0,0]=3 611 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,1,0,1,0,0|1,0,0]=3 614 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,1,0,1,0,0|1,0,0]=3 615 B13R2.10 O=C1C[C@H](C2=CN=CC=C2)CN1 F13637 [0,1,0,1,0,0|1,0,1]=4 616 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,1,0,1,0,0|1,0,1]=4 617 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 C74345 [0,1,0,1,0,0|2,0,0]=4 618 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19863 [0,1,0,1,0,0|1,0,0]=3 619 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19864 [0,1,0,1,0,0|1,0,0]=3 620 B13R2.1613 O=C[C@@H]1CCCC2=C1C=CC=C2 F13198 [0,1,0,1,0,0|1,0,1]=4 621 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 32918 [0,1,0,1,0,0|1,0,0]=3 622 B13R2.2539 OCC1(C2=CC=CC=C2)COC1 32881 [0,1,0,1,0,0|1,0,0]=3 623 B13R2.2931 CN1C=C(CN)C2=C1C=CC=C2 P10372 [0,1,0,1,0,0|0,0,2]=4 624 B13R2.2931 CN1C=C(CO)C2=C1C=CC=C2 71232 [0,1,0,1,0,0|0,0,2]=4 625 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 59894 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 59895 [0,1,0,1,0,0|2,0,0]=4 627 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 Y10526 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 Y10902 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.12 BrC1=CC=C([C@@H]2CCCO2)C=C1 88342 [0,1,0,1,0,0|2,0,0]=4 630 B13R2.12 BrC1=CC=C([C@H]2CCNC2)C=C1 28112 [0,1,0,1,0,0|0,0,0]=2 631 B13R2.12 BrC1=CC=C([C@H]2CCNC2)C=C1 65770 [0,1,0,1,0,0|0,0,0]=2 632 B13R2.12 CC1=CC=C(C2CCCC2)C=C1 C76649 [0,1,0,1,0,0|1,0,0]=3 633 B13R2.12 CC1=CC=C([C@@H]2CCCN2)C=C1 59899 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.12 CC1=CC=C([C@H]2CCNC2)C=C1 N11157 [0,1,0,1,0,0|0,0,0]=2 635 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 59903 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 59904 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 Y10663 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 Y10903 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.12 ClC1=CC=C([C@H]2CCNC2)C=C1 65723 [0,1,0,1,0,0|0,0,0]=2 640 B13R2.12 ClC1=CC=C([C@H]2CCNC2)C=C1 65773 [0,1,0,1,0,0|0,0,0]=2 641 B13R2.12 ClC1=CC=C([C@H]2CCNC2)C=C1 I11547 [0,1,0,1,0,0|0,0,0]=2 642 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 59900 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 59901 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 59951 [0,1,0,1,0,0|2,0,0]=4 645 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 Y10208 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.12 FC1=CC=C([C@H]2CCNC2)C=C1 AR3926 [0,1,0,1,0,0|0,0,0]=2 647 B13R2.12 NC1=CC=C(C2CCCC2)C=C1 24304 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 C74362 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 C90180 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 Y10736 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.42 O=CC1CC1C2=CC=C(Cl)C=C2 72789 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 D96567 [0,1,0,1,0,0|2,0,0]=4 653 B13R2.147 N[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 AC4848 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 91861 [0,1,0,1,0,0|2,0,0]=4 655 B13R2.147 OC1CC(C2=CC=C(Br)C=C2)C1 AC1673 [0,1,0,1,0,0|2,0,0]=4 656 B13R2.147 O[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 91837 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.520 N[C@H](C1=CC=C(Br)C=C1)C2CC2 N10452 [0,1,0,1,0,0|2,0,0]=4 658 B13R2.520 N[C@H](C1=CC=C(Br)C=C1)C2CC2 Y10710 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.520 N[C@H](C1=CC=C(Cl)C=C1)C2CC2 N12608 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.520 N[C@H](C1=CC=C(Cl)C=C1)C2CC2 N12653 [0,1,0,1,0,0|2,0,0]=4 661 B13R2.520 N[C@H](C1=CC=C(F)C=C1)C2CC2 Y10273 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.520 N[C@H](C1=CC=C(F)C=C1)C2CC2 Y10274 [0,1,0,1,0,0|2,0,0]=4 663 B13R2.520 N[C@H](C1=CC=C(F)C=C1)C2CC2 Y11734 [0,1,0,1,0,0|2,0,0]=4 664 B13R2.520 N[C@H](C1=CC=C(F)C=C1)C2CC2 Y11764 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.2986 CC1(C2=CN=C(Cl)C=C2)CCC1 P18128 [0,1,0,1,0,0|2,0,0]=4 666 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 69039 [0,1,0,1,0,0|2,0,0]=4 667 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CNC1 59783 [0,1,0,1,0,0|1,0,0]=3 668 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)COC1 59774 [0,1,0,1,0,0|2,0,0]=4 669 B13R2.2986 NC1(C2=CC=C(F)C=C2)COC1 59775 [0,1,0,1,0,0|2,0,0]=4 670 B13R2.2986 OC1(C2=CC=C(Br)C=C2)CCC1 90241 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.2986 OC1(C2=CC=C(Br)C=C2)COC1 32910 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11951 [0,1,0,1,0,0|2,0,0]=4 673 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11952 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 67304 [0,1,0,1,0,0|2,0,0]=4 675 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 D81338 [0,1,0,1,0,0|2,0,0]=4 676 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y10359 [0,1,0,1,0,0|2,0,0]=4 677 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y12097 [0,1,0,1,0,0|2,0,0]=4 678 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 I11879 [0,1,0,1,0,0|2,0,0]=4 679 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N10533 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N11392 [0,1,0,1,0,0|2,0,0]=4 681 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10726 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10727 [0,1,0,1,0,0|2,0,0]=4 683 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10728 [0,1,0,1,0,0|2,0,0]=4 684 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10625 [0,1,0,1,0,0|2,0,0]=4 685 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10731 [0,1,0,1,0,0|2,0,0]=4 686 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I11877 [0,1,0,1,0,0|2,0,0]=4 687 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N13115 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 I10881 [0,1,0,1,0,0|2,0,0]=4 689 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 N12651 [0,1,0,1,0,0|2,0,0]=4 690 B13R2.5187 CC1=CN(C)C2=C1C=CC(N)=C2 P14875 [0,1,0,1,0,0|0,0,2]=4 691 B13R2.5187 CC1=NN(C)C2=C1C=C(Br)C=C2 37449 [0,1,0,1,0,0|1,0,1]=4 692 B13R2.5187 CC1=NN(C)C2=C1C=CC(Br)=C2 37453 [0,1,0,1,0,0|1,0,1]=4 693 B13R2.5187 CC1=NN(C)C2=C1C=CC(N)=C2 39185 [0,1,0,1,0,0|1,0,1]=4 694 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(F)C=C2 AB22587 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11170 [0,1,0,1,0,0|2,0,0]=4 696 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11171 [0,1,0,1,0,0|2,0,0]=4 697 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11305 [0,1,0,1,0,0|2,0,0]=4 698 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10478 [0,1,0,1,0,0|2,0,0]=4 699 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10480 [0,1,0,1,0,0|2,0,0]=4 700 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 28159 [0,1,0,1,0,0|0,0,0]=2 701 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 65768 [0,1,0,1,0,0|0,0,0]=2 702 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N10479 [0,1,0,1,0,0|2,0,0]=4 703 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N12897 [0,1,0,1,0,0|2,0,0]=4 704 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y10468 [0,1,0,1,0,0|2,0,0]=4 705 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 23431 [0,1,0,1,0,0|2,0,0]=4 706 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 31645 [0,1,0,1,0,0|2,0,0]=4 707 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 N10969 [0,1,0,1,0,0|2,0,0]=4 708 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 Y11221 [0,1,0,1,0,0|2,0,0]=4 709 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65765 [0,1,0,1,0,0|0,0,0]=2 710 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y10874 [0,1,0,1,0,0|2,0,0]=4 711 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y11079 [0,1,0,1,0,0|2,0,0]=4 712 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 N11374 [0,1,0,1,0,0|2,0,0]=4 713 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y11469 [0,1,0,1,0,0|2,0,0]=4 714 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y13338 [0,1,0,1,0,0|2,0,0]=4 715 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 91866 [0,1,0,1,0,0|2,0,0]=4 716 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)C1 91865 [0,1,0,1,0,0|2,0,0]=4 717 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N F16916 [0,1,0,1,0,0|2,0,0]=4 718 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11947 [0,1,0,1,0,0|2,0,0]=4 719 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11948 [0,1,0,1,0,0|2,0,0]=4 720 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N10490 [0,1,0,1,0,0|2,0,0]=4 721 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N13165 [0,1,0,1,0,0|2,0,0]=4 722 B13R2.162 CN1CCCC2=C1C=C(N)C=C2 26005 [0,1,0,1,0,0|2,0,0]=4 723 B13R2.162 CN1CCCC2=C1C=C(O)C=C2 D83822 [0,1,0,1,0,0|2,0,0]=4 724 B13R2.162 C[C@@H]1NCCC2=C1C=C(Br)C=C2 F30913 [0,1,0,1,0,0|2,0,0]=4 725 B13R2.162 C[C@H]1CCNC2=C1C=C(Cl)C=C2 W16322 [0,1,0,1,0,0|2,0,0]=4 726 B13R2.162 C[C@H]1CNCC2=C1C=C(Cl)C=C2 AC8238 [0,1,0,1,0,0|0,0,0]=2 727 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 33471 [0,1,0,1,0,0|2,0,0]=4 728 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 F16987 [0,1,0,1,0,0|2,0,0]=4 729 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 I10660 [0,1,0,1,0,0|2,0,0]=4 730 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 N11010 [0,1,0,1,0,0|2,0,0]=4 731 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 Y10698 [0,1,0,1,0,0|2,0,0]=4 732 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 Y11204 [0,1,0,1,0,0|2,0,0]=4 733 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 74742 [0,1,0,1,0,0|2,0,0]=4 734 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 Y13381 [0,1,0,1,0,0|2,0,0]=4 735 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 I11949 [0,1,0,1,0,0|2,0,0]=4 736 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N13163 [0,1,0,1,0,0|2,0,0]=4 737 B13R2.162 N[C@H]1COCC2=C1C=C(Br)C=C2 SC2401 [0,1,0,1,0,0|2,0,0]=4 738 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11006 [0,1,0,1,0,0|2,0,0]=4 739 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11007 [0,1,0,1,0,0|2,0,0]=4 740 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y11342 [0,1,0,1,0,0|2,0,0]=4 741 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y13380 [0,1,0,1,0,0|2,0,0]=4 742 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 F16968 [0,1,0,1,0,0|2,0,0]=4 743 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10659 [0,1,0,1,0,0|2,0,0]=4 744 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10755 [0,1,0,1,0,0|2,0,0]=4 745 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y10699 [0,1,0,1,0,0|2,0,0]=4 746 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y11052 [0,1,0,1,0,0|2,0,0]=4 747 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10392 [0,1,0,1,0,0|2,0,0]=4 748 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10723 [0,1,0,1,0,0|2,0,0]=4 749 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10724 [0,1,0,1,0,0|2,0,0]=4 750 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10818 [0,1,0,1,0,0|2,0,0]=4 751 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10819 [0,1,0,1,0,0|2,0,0]=4 752 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N10491 [0,1,0,1,0,0|2,0,0]=4 753 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N11008 [0,1,0,1,0,0|2,0,0]=4 754 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10882 [0,1,0,1,0,0|2,0,0]=4 755 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10920 [0,1,0,1,0,0|2,0,0]=4 756 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y11819 [0,1,0,1,0,0|2,0,0]=4 757 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y12018 [0,1,0,1,0,0|2,0,0]=4 758 B13R2.342 O[C@H]1CCCC2=C(Br)C=CC=C21 32335 [0,1,0,1,0,0|2,0,0]=4 759 B13R2.3018 NC1(C2=CC=CC(Br)=C2)CCC1 28205 [0,1,0,1,0,0|2,0,0]=4 760 B13R2.3018 NC1(C2=CC=CC(Br)=C2)COC1 32845 [0,1,0,1,0,0|2,0,0]=4 761 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)COC1 59773 [0,1,0,1,0,0|2,0,0]=4 762 B13R2.3018 NC1(C2=CC=CC(F)=C2)COC1 39055 [0,1,0,1,0,0|2,0,0]=4 763 B13R2.3018 OC1(C2=CC=CC(Br)=C2)CCC1 92301 [0,1,0,1,0,0|2,0,0]=4 764 B13R2.3018 OC1(C2=CC=CC(Br)=C2)COC1 CS2244 [0,1,0,1,0,0|2,0,0]=4 765 B13R2.4857 CC1=NN(C)C2=C(Br)C=CC=C12 37454 [0,1,0,1,0,0|1,0,1]=4 766 B13R2.5324 N[C@H](C1=CC=CC(Cl)=C1)C2CC2 Y11736 [0,1,0,1,0,0|2,0,0]=4 767 B13R2.5324 N[C@H](C1=CC=CC(Cl)=C1)C2CC2 Y13374 [0,1,0,1,0,0|2,0,0]=4 768 B13R2.223 O[C@@]1(C2=CN=CC=C2)CCNC1 AT26850 [0,1,0,1,0,0|1,0,0]=3 769 B13R2.5252 N[C@H]1CCCCC2=C1C=CC=C2 20645 [0,1,0,1,0,0|2,0,0]=4 770 B13R2.5252 N[C@H]1CCCOC2=C1C=CC=C2 Y10940 [0,1,0,1,0,0|2,0,0]=4 771 B13R2.5252 O[C@H]1CCCOC2=C1C=CC=C2 A12238 [0,1,0,1,0,0|2,0,0]=4 772 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 FD10504 [0,1,0,1,0,0|2,0,0]=4 773 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y10410 [0,1,0,1,0,0|2,0,0]=4 774 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y10411 [0,1,0,1,0,0|2,0,0]=4 775 B13R2.32 NC1CCC2=C(C=CC=C2)C1O I10525 [0,1,0,1,0,0|2,0,0]=4 776 B13R2.32 N[C@@H]1C2=C(C=CC=C2)CC[C@H]1O V10228 [0,1,0,1,0,0|2,0,0]=4 777 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 78591 [0,1,0,1,0,0|1,0,1]=4 778 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 71614 [0,1,0,1,0,0|1,0,1]=4 779 B13R2.8138 N[C@H](C1=CC=CC=C1)C2(O)CC2 D70715 [0,1,0,1,0,0|2,0,0]=4 780 B13R2.238 NC1CC(O)(C2=CC=CC=C2)C1 P14926 [0,1,0,1,0,0|2,0,0]=4 781 B13R2.3063 C[C@@](O)(C1=CC=CC=C1)C2CC2 I11273 [0,1,0,1,0,0|1,0,0]=3 782 B13R2.3122 CC1(C)CCNC2=C1C=CC=C2 W18201 [0,1,0,1,0,0|2,0,0]=4 783 B13R2.12159 CC1=CC(C)(C)C2=C1C=CC=C2 D93282 [0,1,0,1,0,0|1,0,1]=4 784 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,1,0,1,0,0|2,0,0]=4 785 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,1,0,1,0,0|2,0,0]=4 786 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11180 [0,1,0,1,0,0|2,0,0]=4 787 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11181 [0,1,0,1,0,0|2,0,0]=4 788 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11214 [0,1,0,1,0,0|2,0,0]=4 789 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11215 [0,1,0,1,0,0|2,0,0]=4 790 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 28293 [0,1,0,1,0,0|0,0,0]=2 791 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 N10931 [0,1,0,1,0,0|0,0,0]=2 792 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 AR1046 [0,1,0,1,0,0|2,0,0]=4 793 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 I11373 [0,1,0,1,0,0|2,0,0]=4 794 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10470 [0,1,0,1,0,0|2,0,0]=4 795 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10768 [0,1,0,1,0,0|2,0,0]=4 796 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 AB1344 [0,1,0,1,0,0|2,0,0]=4 797 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 F16861 [0,1,0,1,0,0|2,0,0]=4 798 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 F16959 [0,1,0,1,0,0|2,0,0]=4 799 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 Y11034 [0,1,0,1,0,0|2,0,0]=4 800 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 Y11068 [0,1,0,1,0,0|2,0,0]=4 801 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 33974 [0,1,0,1,0,0|2,0,0]=4 802 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11184 [0,1,0,1,0,0|2,0,0]=4 803 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11185 [0,1,0,1,0,0|2,0,0]=4 804 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11216 [0,1,0,1,0,0|2,0,0]=4 805 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11217 [0,1,0,1,0,0|2,0,0]=4 806 B13R2.18 OC1=C(C2CCCC2)C=CC=C1 C14895 [0,1,0,1,0,0|1,0,0]=3 807 B13R2.18 OC1=C([C@@H]2CCCN2)C=CC=C1 N11372 [0,1,0,1,0,0|2,0,0]=4 808 B13R2.216 OC1CC(C2=C(Cl)C=CC=C2)C1 AC1660 [0,1,0,1,0,0|2,0,0]=4 809 B13R2.3097 CC1=C([C@@H](N)C2CC2)C=CC=C1 F16879 [0,1,0,1,0,0|2,0,0]=4 810 B13R2.3097 CC1=C([C@@H](N)C2CC2)C=CC=C1 Y11145 [0,1,0,1,0,0|2,0,0]=4 811 B13R2.3097 N[C@H](C1=C(Cl)C=CC=C1)C2CC2 D81571 [0,1,0,1,0,0|2,0,0]=4 812 B13R2.3097 N[C@H](C1=C(F)C=CC=C1)C2CC2 Y10275 [0,1,0,1,0,0|2,0,0]=4 813 B13R2.3097 N[C@H](C1=C(F)C=CC=C1)C2CC2 Y10276 [0,1,0,1,0,0|2,0,0]=4 814 B13R2.3569 CC1(C2=C(O)C=CC=C2)COC1 F31365 [0,1,0,1,0,0|1,0,0]=3 815 B13R2.4818 N[C@H]1CCCC2=CC=CC(F)=C21 Y10845 [0,1,0,1,0,0|2,0,0]=4 816 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2C3 C11445 [0,0,0,2,0,0|1,0,1]=4 817 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 D72047 [0,0,0,2,0,0|2,0,0]=4 818 B13R3.28 C1=CC2=C(C=C1)C3CC3CN2 VT1312 [0,0,0,2,0,0|2,0,0]=4 819 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [1,0,0,0,1,0|2,0,0]=4 820 B9R1.12 COCCN1C=CC=C1 W16108 [1,0,0,0,1,0|2,0,0]=4