0 B12R1.34 C=C(C#N)C(O)C1=CC=CC=C1 Z320966940 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 Z228572562 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.34 CC(CO)C(=O)C1=CC=CC=C1 Z1198183441 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 Z57046237 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 Z56757232 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 Z1250100620 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.34 COC(=O)C(O)C1=NC=CC=C1 Z4130150180 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.34 NC(CO)C(O)C1=CC=NC=C1 Z2696777507 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.34 NC(CO)C(O)C1=NC=CC=C1 Z2694807446 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 Z513733918 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.36 CC(C)C(=O)C1=CN=CC=C1 Z513733850 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.36 CC(C)C(N)C1=CC=NC=C1 Z513796098 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.36 CC(C)C(N)C1=NC=CC=C1 Z513795924 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 Z199509008 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,0,0|3,0,0]=4 71 B13R1.21 CCC(C)C(N)C1=CC=C(C=C1)Cl Z291232760 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.21 CNC(=O)C(C)C1=CC=C(C=C1)F Z3046025591 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.21 CNC(=O)C(N)C1=CC=C(C=C1)C Z1967532451 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.21 CNC(C)C(=O)C1=NC=C(C=C1)C Z5011280904 [0,1,0,0,0,0|1,0,2]=4 75 B13R1.21 CNC(C)C(C)C1=CC=C(C=C1)Cl Z1262590480 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.21 COC(=O)C(O)C1=CC=C(C=C1)F Z847296298 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.21 NC(CO)C(O)C1=CC=C(C=C1)Cl Z2670838766 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.22 COC(=O)C(O)C1=CC(=CC=C1)C Z965047474 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.22 COC(=O)C(O)C1=CC(=CC=C1)Cl Z965047532 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.22 COC(=O)C(O)C1=CC(=CC=C1)I Z2031668793 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.152 CC(C)C(O)C(N)C1=CC=CC=C1 Z385458472 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.152 CC(N)C(N)C(O)C1=CC=CC=C1 Z2724405896 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 Z600428418 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.263 CNS(=O)(=O)C(C)C1=CC=CC=C1 Z2105185528 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.263 NCC(F)(F)C(O)C1=CC=CC=C1 Z5524788105 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.532 CCC(C(=O)NC)C1=CC=CC=C1 Z68248483 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.696 CCC(N)C(O)C1=C(C=CC=C1)F Z1297758289 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.696 CNC(=O)C(N)C1=C(C=CC=C1)F Z5443636126 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.708 CCC(N)C(C)(C)C1=CC=CC=C1 Z1082245218 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.708 CCC(O)C(C)(C)C1=CC=CC=C1 Z1082244996 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.708 CNC(=O)C(C)(C)C1=CC=CC=C1 Z252380220 [0,1,0,0,0,0|2,0,1]=4 94 B13R1.708 COC(=O)C(C)(O)C1=CC=CC=C1 Z965047342 [0,1,0,0,0,0|2,0,1]=4 95 B13R2.15 CC1NCCC1C2=CC=CC=C2 Z979418782 [0,0,0,1,0,0|1,0,0]=2 96 B13R2.15 N=C1NCCC1C2=CC=CC=C2 Z5485653209 [0,0,0,1,0,0|2,0,1]=4 97 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [0,0,0,1,0,0|2,0,0]=3 99 B13R2.15 N[C@@H]1CCO[C@H]1C2=CN=CC=C2 Z2327884249 [0,0,0,1,0,0|3,0,0]=4 100 B13R2.15 O=C1NCCC1C2=CC=CC=C2 Z1198157720 [0,0,0,1,0,0|2,0,1]=4 101 B13R2.15 O[C@@H]1CCC[C@H]1C2=CC=CC=C2 Z2306832376 [0,0,0,1,0,0|3,0,0]=4 102 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.32 CC1CCC2=C(C1=O)C=CC=C2 Z854043700 [0,0,0,1,0,0|1,0,2]=4 104 B13R2.32 CC1CCC2=C(C1N)C=CC=C2 Z1539988085 [0,0,0,1,0,0|2,0,0]=3 105 B13R2.32 CC1COC2=C(C1O)C=CC=C2 Z1255453699 [0,0,0,1,0,0|2,0,0]=3 106 B13R2.32 NC1C(=O)NCC2=C1C=CC=C2 Z3241255328 [0,0,0,1,0,0|2,0,1]=4 107 B13R2.32 NC1C2=C(C=CC=C2)CCC1F Z2791719028 [0,0,0,1,0,0|3,0,0]=4 108 B13R2.32 NC1COC2=C(C1O)C=CC=C2 Z2146515656 [0,0,0,1,0,0|3,0,0]=4 109 B13R2.32 N[C@@H]1COC2=C([C@H]1O)C=CC=C2 Z4354027077 [0,0,0,1,0,0|3,0,0]=4 110 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@@H]1O Z3070471251 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@H]1O Z2901813806 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.45 CN[C@@H]1CC2=C([C@@H]1O)C=CC=C2 Z4657916171 [0,0,0,1,0,0|0,0,0]=1 113 B13R2.45 CO[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4661669768 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.56 O=CC1CCC1C2=CC=CC=C2 Z1509045454 [0,0,0,1,0,0|3,0,0]=4 116 B13R2.98 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C=O Z2289709429 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CN Z2216303059 [0,0,0,1,0,0|3,0,0]=4 118 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CO Z2467454648 [0,0,0,1,0,0|3,0,0]=4 119 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,0,0,1,0,0|3,0,0]=4 120 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [0,0,0,1,0,0|3,0,0]=4 121 B13R2.373 CC1C(CC1C2=CC=CC=C2)N Z1430540182 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.382 CC1CC1C(N)C2=CC=CC=C2 Z1695797918 [0,0,0,1,0,0|2,0,0]=3 123 B13R2.413 CC1(CCC1N)C2=CC=CC=C2 Z1813195198 [0,0,0,1,0,0|3,0,0]=4 124 B13R2.3085 CN1C(=O)C2=C(C1O)C=CC=C2 Z108567058 [0,0,0,1,0,0|3,0,0]=4 125 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 Z3244520377 [0,0,0,1,0,0|2,0,0]=3 126 B13R2.8137 NC(C1=CC=NC=C1)C2CCC2 Z2758289257 [0,0,0,1,0,0|3,0,0]=4 127 B13R2.8138 CC(C1=CC=CC=C1)C2(CC2)N Z3576390632 [0,0,0,1,0,0|3,0,0]=4 128 B11R1.31 CNC(C)C(=O)C1=COC=C1 Z5465127558 [0,0,0,0,1,0|1,0,2]=4 129 B13R1.11 CNC(=N)NC(C)C1=CC=CC=C1 Z1347691728 [0,0,0,0,0,1|2,0,1]=4 130 B13R1.135 CCC(C)C(=O)NC1=CC=CC=C1 Z241886354 [0,0,0,0,0,1|1,0,2]=4 131 B13R1.135 CNC(=O)C(C)OC1=CC=CC=C1 Z32016970 [0,0,0,0,0,1|2,0,1]=4 132 B13R1.135 CNC(=O)C(C)SC1=CC=CC=C1 Z30271703 [0,0,0,0,0,1|2,0,1]=4 133 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 Z1449756300 [0,0,0,0,0,1|2,0,1]=4 134 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [2,0,0,0,0,0|1,0,1]=4 135 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [2,0,0,0,0,0|0,0,2]=4 136 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [2,0,0,0,0,0|0,0,2]=4 139 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [2,0,0,0,0,0|1,0,0]=3 140 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [2,0,0,0,0,0|0,0,0]=2 142 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [2,0,0,0,0,0|1,0,1]=4 144 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [2,0,0,0,0,0|0,0,2]=4 145 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [2,0,0,0,0,0|1,0,0]=3 146 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [2,0,0,0,0,0|0,0,2]=4 151 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [2,0,0,0,0,0|0,0,0]=2 153 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|0,0,0]=2 162 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [2,0,0,0,0,0|1,0,0]=3 163 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [2,0,0,0,0,0|1,0,0]=3 165 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [2,0,0,0,0,0|0,0,0]=2 173 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [2,0,0,0,0,0|1,0,0]=3 174 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [2,0,0,0,0,0|1,0,0]=3 177 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [2,0,0,0,0,0|1,0,1]=4 186 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [2,0,0,0,0,0|1,0,1]=4 187 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [1,1,0,0,0,0|0,0,0]=2 190 B12R1.16 COCC(N)C1=CC=C(C=C1)F Z1297772361 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O Z1198723489 [1,1,0,0,0,0|0,0,0]=2 192 B12R1.17 COCC(O)C1=CC(=CC=C1)N Z970071366 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.17 N#CCC(O)C1=CC(=CC=C1)Cl Z1255429594 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [1,1,0,0,0,0|1,0,0]=3 195 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.30 CCNCC(N)C1=CC=CC=C1 Z756920572 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.30 CNCCN(C)C1=CC=CC=C1 Z335286914 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.39 CC(O)(CCN)C1=CC=CC=C1 Z1182310345 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.39 CNCC(F)(F)C1=CC=CC=C1 Z5719431865 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.39 COCC(C)(N)C1=CC=CC=C1 Z992444342 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.39 COCC(C)(O)C1=CC=CC=C1 Z992444182 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.107 CC(C)CC(O)C1=NC=CC=C1 Z513749474 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.107 CN(C)CC(N)C1=CN=CC=C1 Z5022208875 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.308 CCCC(O)C1=C(C=CC=C1)Cl Z733415366 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl Z385417200 [1,1,0,0,0,0|0,0,2]=4 217 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)N Z1198162397 [1,1,0,0,0,0|0,0,2]=4 218 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)O Z1198150713 [1,1,0,0,0,0|0,0,2]=4 219 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Br Z3211605350 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Cl Z221528970 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)F Z99598998 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [1,1,0,0,0,0|0,0,0]=2 223 B12R1.20 CC(C)C(O)C1=NC=C(C=C1)Br Z1649738214 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.20 CC(N)C(=O)C1=CC=C(C=C1)Cl Z3023980683 [1,1,0,0,0,0|0,0,2]=4 225 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [1,1,0,0,0,0|0,0,0]=2 226 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [1,1,0,0,0,0|0,0,0]=2 227 B12R1.124 CC(C)C(=O)C1=C(C=CC=C1)Br Z851790218 [1,1,0,0,0,0|0,0,2]=4 228 B12R1.124 CC(C)C(=O)C1=C(C=CC=C1)Cl Z733415220 [1,1,0,0,0,0|0,0,2]=4 229 B12R1.124 CC(C)C(N)C1=C(C=CC=C1)Cl Z733415566 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.124 CC(C)C(N)C1=C(C=CC=C1)N Z1198748043 [1,1,0,0,0,0|1,0,0]=3 231 B12R1.124 CC(C)N(C)C1=C(C=CC=C1)N Z1993522745 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.124 CC(N)C(C)C1=C(C=CC=C1)Cl Z3185477902 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.124 CC(N)C(O)C1=C(C=CC=C1)F Z1272096622 [1,1,0,0,0,0|0,0,0]=2 234 B12R1.124 CC1=C(C=CC=C1)C(=O)C(C)C Z513734868 [1,1,0,0,0,0|0,0,2]=4 235 B12R1.124 CC1=C(C=CC=C1)C(N)C(C)C Z513797128 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.124 CC1=C(N=CC=C1)C(N)C(C)C Z852750962 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)N Z3026469959 [1,1,0,0,0,0|0,0,2]=4 239 B12R1.225 CC(C)N(C)C1=CC(=CC=C1)N Z376447164 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C Z1176485649 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.225 CC(N)C(=O)C1=CC(=CC=C1)O Z3015076235 [1,1,0,0,0,0|0,0,2]=4 242 B12R1.225 CC(N)C(O)C1=CC(=CC=C1)F Z1695740794 [1,1,0,0,0,0|0,0,0]=2 243 B12R1.225 C[C@@H](C1=CC(=CC=C1)O)N(C)C Z1198169241 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.225 C[C@H](N)[C@H](O)C1=CC(=CC=C1)O Z2050038784 [1,1,0,0,0,0|0,0,0]=2 245 B12R1.253 CC(N)C(C)(C)C1=CC=CC=C1 Z406677008 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.253 CC(N)C(C)(O)C1=CC=CC=C1 Z2466617796 [1,1,0,0,0,0|0,0,0]=2 247 B12R1.253 CC(O)(C(=N)N)C1=CC=CC=C1 Z1723549308 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 Z1097112643 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 Z1255439670 [1,1,0,0,0,0|0,0,1]=3 250 B12R1.478 CC(C)C(CN)C1=CC=CC=C1 Z366424654 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.478 CC(C)C(CN)C1=CN=CC=C1 Z1322784254 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.478 CNC(C1=CC=CC=C1)C(C)C Z164151714 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.478 CNC(C1=CN=CC=C1)C(C)C Z513800220 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.478 COC(C(=O)C)C1=CC=CC=C1 Z1513595127 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 Z255149938 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 Z1198157843 [1,1,0,0,0,0|0,0,0]=2 257 B12R1.564 CC(C1=CC=CC=C1)C(C)(C)N Z2681235948 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.564 CC(C1=CC=CC=C1)C(C)(C)O Z2235789563 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.564 CC(F)(F)C(N)C1=CC=CC=C1 Z3889917141 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.564 OC(C1=CC=CC=C1)C(Cl)(Cl)Cl Z838925896 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F Z1198169138 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F Z1255399129 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [1,1,0,0,0,0|0,0,2]=4 268 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [1,1,0,0,0,0|1,0,1]=4 287 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [1,1,0,0,0,0|1,0,1]=4 289 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.50 CNC(=O)CC1=CC(=CC=C1)O Z816010790 [1,1,0,0,0,0|1,0,1]=4 291 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [1,1,0,0,0,0|0,0,0]=2 292 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [1,1,0,0,0,0|0,0,0]=2 293 B12R1.118 CCC(CN)OC1=CC=CC=C1 Z851004988 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [1,1,0,0,0,0|1,0,1]=4 296 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [1,1,0,0,0,0|1,0,0]=3 297 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 Z1269638453 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 Z133621020 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.371 CNC(=O)CC1=C(C=CC=C1)N Z234895127 [1,1,0,0,0,0|1,0,1]=4 306 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [1,1,0,0,0,0|0,0,0]=2 307 B14R1.29 CN(CCO)CC(O)C1=CC=CC=C1 Z31371712 [0,1,0,0,0,1|2,0,0]=4 308 B14R1.58 C/N=C(\NC)/NC(C)C1=CC=CC=C1 Z1089996262 [0,1,0,0,0,1|1,0,1]=4 309 B14R1.85 CCN(C)C(C)C(O)C1=CC=CC=C1 Z854201840 [0,1,0,0,0,1|2,0,0]=4 310 B14R1.88 CCC(NC)C(=O)C1=CC=C(C=C1)Br Z4889932911 [0,2,0,0,0,0|0,0,2]=4 311 B14R1.88 CCC(NC)C(=O)C1=CC=C(C=C1)F Z4889932910 [0,2,0,0,0,0|0,0,2]=4 312 B14R1.132 CC(C)C(N)C(O)C1=CC=C(C=C1)Cl Z2583545468 [0,2,0,0,0,0|2,0,0]=4 313 B14R1.993 CNC(=O)C(O)C1=CC(=CC(=C1)Cl)Cl Z1548753532 [0,2,0,0,0,0|1,0,1]=4 314 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 Z993740056 [0,2,0,0,0,0|0,0,2]=4 315 B14R1.2883 CCC(C)(CC)C(N)C1=CC=CC=C1 Z5861974711 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.1027 CN(C)C(=O)C(CO)C1=CC=CC=C1 Z1896377058 [0,2,0,0,0,0|1,0,1]=4 317 B14R1.1027 COC(C(=O)N(C)C)C1=CC=CC=C1 Z434621834 [0,2,0,0,0,0|1,0,1]=4 318 B14R1.2984 CCC(C)C(C(=O)O)C1=CC=CC=C1 Z104480854 [0,2,0,0,0,0|1,0,0]=3 319 B14R1.2984 CCN(C)C(C(=O)O)C1=CC=CC=C1 Z1259162170 [0,2,0,0,0,0|2,0,0]=4 320 B14R1.95 CNC(=O)C(O)C1=C(C=CC=C1)OC Z1813148081 [0,2,0,0,0,0|1,0,1]=4 321 B14R1.8657 CCC(N)C(O)C1=C(C=CC=C1F)Cl Z1695783867 [0,2,0,0,0,0|2,0,0]=4 322 B14R1.8657 CCC(N)C(O)C1=C(C=CC=C1F)F Z1297758260 [0,2,0,0,0,0|2,0,0]=4 323 B12R2.2 C1=CC(=CC=N1)C2CCNC2 Z2492414323 [1,0,0,1,0,0|2,0,0]=4 324 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [1,0,0,1,0,0|1,0,1]=4 325 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,0,0,1,0,0|2,0,0]=4 326 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [1,0,0,1,0,0|1,0,0]=3 327 B12R2.2 C1=CN=C(C=C1)C2CCNC2 Z940902744 [1,0,0,1,0,0|2,0,0]=4 328 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [1,0,0,1,0,0|1,0,0]=3 329 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [1,0,0,1,0,0|1,0,0]=3 330 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [1,0,0,1,0,0|2,0,0]=4 331 B12R2.116 CC1(CNC1)C2=CC=CC=C2 Z2143576561 [1,0,0,1,0,0|1,0,0]=3 332 B12R2.116 FC1(CNC1)C2=CC=NC=C2 Z5526531607 [1,0,0,1,0,0|2,0,0]=4 333 B12R2.116 FC1(CNC1)C2=NC=CC=C2 Z5386622085 [1,0,0,1,0,0|2,0,0]=4 334 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [1,0,0,1,0,0|1,0,0]=3 335 B12R2.116 OC1(CNC1)C2=CN=CC=C2 Z3492926719 [1,0,0,1,0,0|1,0,0]=3 336 B12R2.116 OC1(CNC1)C2=NC=CC=C2 Z3921967489 [1,0,0,1,0,0|1,0,0]=3 337 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [1,0,0,1,0,0|1,0,0]=3 338 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [1,0,0,1,0,0|2,0,0]=4 339 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [1,0,0,1,0,0|2,0,0]=4 340 B12R2.1081 NC1CSCC2=C1C=CC=C2 Z1695783215 [1,0,0,1,0,0|2,0,0]=4 341 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [1,0,0,1,0,0|1,0,0]=3 342 B12R2.1081 OC1CCCC2=C1C=CC=N2 Z1198156585 [1,0,0,1,0,0|2,0,0]=4 343 B12R2.1081 OC1CCCC2=C1C=NC=C2 Z1255398550 [1,0,0,1,0,0|2,0,0]=4 344 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [1,0,0,1,0,0|2,0,0]=4 345 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [1,0,0,1,0,0|2,0,0]=4 346 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [1,0,0,1,0,0|2,0,0]=4 347 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [1,0,0,1,0,0|1,0,0]=3 348 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [1,0,0,1,0,0|1,0,0]=3 349 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 Z1255505566 [1,0,0,1,0,0|2,0,0]=4 350 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [1,0,0,1,0,0|2,0,0]=4 351 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [1,0,0,1,0,0|2,0,0]=4 352 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 Z1216847007 [1,0,0,1,0,0|2,0,0]=4 353 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [1,0,0,1,0,0|2,0,0]=4 354 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [1,0,0,1,0,0|2,0,0]=4 355 B12R2.2028 CC1CC(C2=C1C=CC=C2)N Z1263529672 [1,0,0,1,0,0|2,0,0]=4 356 B12R2.2028 N[C@@H]1C[C@@H](C2=C1C=CC=C2)O Z4591105168 [1,0,0,1,0,0|2,0,0]=4 357 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [1,0,0,1,0,0|2,0,0]=4 358 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 Z203239488 [1,0,0,1,0,0|2,0,0]=4 359 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [1,0,0,1,0,0|1,0,0]=3 360 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [1,0,0,1,0,0|2,0,0]=4 361 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [1,0,0,1,0,0|0,0,2]=4 362 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [1,0,0,1,0,0|1,0,0]=3 363 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [1,0,0,1,0,0|2,0,0]=4 364 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [1,0,0,1,0,0|1,0,0]=3 365 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [1,0,0,1,0,0|1,0,0]=3 366 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [1,0,0,1,0,0|0,0,2]=4 367 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [1,0,0,1,0,0|0,0,0]=2 368 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O Z784894996 [1,0,0,1,0,0|2,0,0]=4 369 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [1,0,0,1,0,0|0,0,0]=2 370 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4663003875 [1,0,0,1,0,0|2,0,0]=4 371 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N Z4749736623 [1,0,0,1,0,0|1,0,0]=3 372 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z803127638 [1,0,0,1,0,0|2,0,0]=4 373 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 Z335244966 [1,0,0,1,0,0|1,0,1]=4 374 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [1,0,0,1,0,0|1,0,0]=3 375 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [1,0,0,1,0,0|1,0,0]=3 376 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [1,0,0,1,0,0|1,0,0]=3 377 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [1,0,0,1,0,0|1,0,0]=3 378 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [1,0,0,1,0,0|1,0,0]=3 379 B12R2.92 CC1(OC1C2=CC=CC=C2)C Z1486033030 [1,0,0,1,0,0|0,0,0]=2 380 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [1,0,0,1,0,0|0,0,0]=2 381 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [1,0,0,1,0,0|2,0,0]=4 382 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [1,0,0,1,0,0|2,0,0]=4 383 B12R2.24 CN1CC2=C(C=CC=C2)CN1 Z415677430 [1,0,0,1,0,0|1,0,0]=3 384 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [1,0,0,1,0,0|0,0,0]=2 385 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [1,0,0,1,0,0|2,0,0]=4 386 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [1,0,0,1,0,0|1,0,1]=4 387 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [1,0,0,1,0,0|2,0,0]=4 388 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [1,0,0,1,0,0|2,0,0]=4 389 B12R2.32 NCC1CC2=C(C1)C=CC=C2 Z1269638468 [1,0,0,1,0,0|2,0,0]=4 390 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [1,0,0,1,0,0|2,0,0]=4 391 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [1,0,0,1,0,0|2,0,0]=4 392 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [1,0,0,1,0,0|2,0,0]=4 393 B12R2.94 NC1(CC1)CC2=CC=CC=C2 Z1723549343 [1,0,0,1,0,0|2,0,0]=4 394 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [1,0,0,1,0,0|0,0,0]=2 395 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [1,0,0,1,0,0|2,0,0]=4 396 B14R2.21 CC1CCCC(N1)C2=CC=CC=C2 Z1198181090 [0,0,0,1,0,1|2,0,0]=4 397 B14R2.21 CC1CN(CCN1)C2=CC=CC=C2 Z1695728987 [0,0,0,1,0,1|2,0,0]=4 398 B14R2.21 NC1CCOC(C1)C2=CC=CC=C2 Z1694636311 [0,0,0,1,0,1|2,0,0]=4 399 B14R2.21 N[C@@H]1CCO[C@H](C1)C2=CC=CC=C2 Z5473978901 [0,0,0,1,0,1|2,0,0]=4 400 B14R2.21 OC1CCOC(C1)C2=CC=CC=C2 Z1192341080 [0,0,0,1,0,1|2,0,0]=4 401 B14R2.52 CC1CN(C2=C(C=CC=C2)CN1)C Z1251356295 [0,0,0,1,0,1|2,0,0]=4 402 B14R2.794 NC(CC1CCC1)C2=CC=CC=C2 Z1263592753 [0,0,0,1,0,1|2,0,0]=4 403 B14R2.30 CC1NCCC1CC2=CC=CC=C2 Z979422196 [0,0,0,1,0,1|1,0,0]=3 404 B14R2.741 CC1NCC2=C(C=CC=C2)NC1=O Z2517204624 [0,0,0,1,0,1|0,0,2]=4 405 B14R2.972 CNC(=O)C1CC2=C(O1)C=CC=C2 Z183857728 [0,0,0,1,0,1|1,0,1]=4 406 B14R2.972 CNC(C)C1=CC2=C(O1)C=CC=C2 Z162834430 [0,0,0,1,0,1|0,0,1]=3 407 B14R2.972 CNC(C)C1=NC2=C(S1)C=CC=C2 Z90122149 [0,0,0,1,0,1|0,1,1]=4 408 B14R2.972 CNC(C)C1CC2=C(O1)C=CC=C2 Z1465461955 [0,0,0,1,0,1|0,0,0]=2 409 B14R2.1128 COC1CC2=C(C=CC=C2)NC1C Z2202314535 [0,0,0,1,0,1|2,0,0]=4 410 B14R2.926 N[C@@H]1CCO[C@H]1C2=CC=C(C=C2)Cl Z2690084388 [0,1,0,1,0,0|2,0,0]=4 411 B14R2.928 CC1CC1C(N)C2=CC=C(C=C2)Cl Z1262398484 [0,1,0,1,0,0|2,0,0]=4 412 B14R2.1095 CO[C@@H]1CC2=C([C@@H]1N)C=CC(=C2)Br Z5088293768 [0,1,0,1,0,0|2,0,0]=4 413 B14R2.10606 NC(C1=CC=C(C=C1)Br)C2CCC2 Z752370996 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.10606 NC(C1=CC=C(C=C1)Cl)C2CCC2 Z291232668 [0,1,0,1,0,0|2,0,0]=4 415 B14R2.10606 NC(C1=CC=C(C=C1)F)C2CCC2 Z291232488 [0,1,0,1,0,0|2,0,0]=4 416 B14R2.10606 OC(C1=CC=C(C=C1)Br)C2CCC2 Z756121588 [0,1,0,1,0,0|1,0,0]=3 417 B14R2.269 CC1CCNC1C2=CC(=CC=C2)F Z1245636037 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.8038 CC1CCC2=C(C1N)C=CC=C2F Z1218936078 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.24 CC1CCNCC1C2=CC=CC=C2 Z2803578072 [0,1,0,1,0,0|2,0,0]=4 420 B14R2.24 CC1CNCCC1C2=CC=CC=C2 Z1259303197 [0,1,0,1,0,0|1,0,0]=3 421 B14R2.24 CC1CNCCN1C2=CC=CC=C2 Z1198147855 [0,1,0,1,0,0|2,0,0]=4 422 B14R2.24 CC1SCCNC1C2=CC=CC=C2 Z1218937147 [0,1,0,1,0,0|2,0,0]=4 423 B14R2.24 C[C@@H]1CCNC[C@@H]1C2=CC=CC=C2 Z2831446470 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.24 F[C@@H]1CNCC[C@H]1C2=CC=CC=C2 Z5551895336 [0,1,0,1,0,0|2,0,0]=4 425 B14R2.24 O[C@@H]1CNCC[C@@H]1C2=CC=CC=C2 Z5178963486 [0,1,0,1,0,0|2,0,0]=4 426 B14R2.24 O[C@@H]1CNCC[C@H]1C2=CC=CC=C2 Z2568756561 [0,1,0,1,0,0|2,0,0]=4 427 B14R2.114 NC(C1=CC=CC=C1)C2CCCC2 Z451452470 [0,1,0,1,0,0|2,0,0]=4 428 B14R2.114 O=C(C1=CC=CC=C1)C2CCCN2 Z3013892609 [0,1,0,1,0,0|0,0,2]=4 429 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 Z3244741950 [0,1,0,1,0,0|0,0,2]=4 430 B14R2.114 OC(C1=CC=CC=C1)C2CCCC2 Z513750534 [0,1,0,1,0,0|1,0,0]=3 431 B14R2.114 OC(C1=CC=CC=C1)C2CCCN2 Z1192039732 [0,1,0,1,0,0|0,0,0]=2 432 B14R2.279 O[C@H]1C2=C(C=CC=C2)NCC[C@H]1O Z5019640514 [0,1,0,1,0,0|2,0,0]=4 433 B14R2.598 CC1CC(C(N1)C)C2=CC=CC=C2 Z1259273392 [0,1,0,1,0,0|1,0,0]=3 434 B14R2.14 CNC1CCCC1C2=CC=CC=C2 Z993062846 [0,1,0,1,0,0|1,0,0]=3 435 B14R2.14 CN[C@@H]1CCO[C@H]1C2=CN=CC=C2 Z2240803613 [0,1,0,1,0,0|1,0,0]=3 436 B14R2.14 CO[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4283398957 [0,1,0,1,0,0|2,0,0]=4 437 B14R2.14 NCC1CCCC1C2=CC=CC=C2 Z2235409216 [0,1,0,1,0,0|2,0,0]=4 438 B14R2.14 NC[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z1860991496 [0,1,0,1,0,0|1,0,0]=3 439 B14R2.92 NC1C2=C(C=CC=C2)CCC1CO Z1250167114 [0,1,0,1,0,0|2,0,0]=4 440 B14R2.3469 NCC1(CC1)C(O)C2=CC=CC=C2 Z1483793217 [0,1,0,1,0,0|1,0,0]=3 441 B14R2.57380 CC1N(C2=C(C1(C)C)C=CC=C2)C Z104472832 [0,1,0,1,0,0|1,0,0]=3 442 B14R2.1129 CN[C@@H]1CC2=C([C@@H]1OC)C=CC=C2 Z4660887255 [0,1,0,1,0,0|0,0,0]=2 443 B14R2.1129 CN[C@H]1C2=C(C=CC=C2)C[C@@H]1OC Z4743863377 [0,1,0,1,0,0|2,0,0]=4 444 B14R2.2850 NCC(C1=CC=CC=C1)C2CCC2 Z4868599254 [0,1,0,1,0,0|2,0,0]=4 445 B14R2.2850 O=CC(C1=CC=CC=C1)C2CCC2 Z1255403723 [0,1,0,1,0,0|1,0,1]=4 446 B14R2.2861 COC(C1=CC=CC=C1)C2(CC2)N Z5066699093 [0,1,0,1,0,0|2,0,0]=4 447 B14R3.44 C1=CC=C(C=C1)[C@H]2NC[C@@H]3[C@H]2C3 Z3869460248 [0,0,0,2,0,0|2,0,0]=4 448 B10R1.23 CC(C)C(O)C1=NC=CN1 Z4957133876 [1,0,0,0,1,0|2,0,0]=4 449 B10R1.27 CNC(C)CC1=CNN=C1 Z5095434431 [1,0,0,0,1,0|2,0,0]=4 450 B10R1.27 CNC(C)CC1=CSC=C1 Z1333043374 [1,0,0,0,1,0|1,0,0]=3 451 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [1,0,0,0,0,1|2,0,0]=4 452 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [1,0,0,0,0,1|2,0,0]=4 453 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [1,0,0,0,0,1|2,0,0]=4 454 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [1,0,0,0,0,1|1,0,0]=3 455 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [1,0,0,0,0,1|1,0,0]=3 456 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [1,0,0,0,0,1|2,0,0]=4 457 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [1,0,0,0,0,1|2,0,0]=4 458 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [1,0,0,0,0,1|2,0,0]=4 459 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [1,0,0,0,0,1|2,0,0]=4 460 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [1,0,0,0,0,1|1,0,1]=4 461 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [1,0,0,0,0,1|1,0,1]=4 462 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [1,0,0,0,0,1|1,0,1]=4 463 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [1,0,0,0,0,1|1,0,1]=4 464 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [1,0,0,0,0,1|2,0,0]=4