0 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 BrC#CC1=NC=CC=C1 94426 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 CNCC1=NC=CC=N1 27199 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 CNCC1=NC=CC=N1 72796 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CNCC1=NC=NC=C1 C14477 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 NCCC1=NC=CC=N1 83201 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 NCCC1=NC=CC=N1 P10852 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCC1=NC=NC=C1 P10950 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 NNCC1=NC=CC=C1 P10521 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 NNCC1=NC=CN=C1 D78817 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 NNCC1=NC=CN=C1 P19174 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 S=C=NC1=NC=CC=C1 C11368 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.20 CC(C)OC1=NC=C(N)C=N1 AT18233 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.20 CN(C)CC1=CN=C(Cl)C=C1 D76265 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.20 CN(C)CC1=CN=C(N)C=C1 N12638 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.36 C=C(C1=CC=CC=C1)C(C)C W11468 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 63680 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 N12821 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y10672 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 F13376 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 AC3554 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.36 N[C@H](C1=CC=CC=C1)C(F)F 94363 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21493 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14383 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14384 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 N14385 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.40 NNC(=O)CC1=NC=CC=C1 AT10923 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.86 CC(C)CC1=NC=CN=C1O 43967 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.86 CC(C)NC1=C(Br)C=CC=C1 C77931 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.86 CC(C)NC1=C(Cl)C=CC=C1 C78464 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.86 CC(C)NC1=C(F)C=CC=C1 C77765 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.86 CC(C)NC1=C(S)C=CC=C1 AC8476 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.86 CC(C)OC1=C(I)C=CC=N1 76901 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.86 CC(C)OC1=C(N)C=CN=C1 AT18128 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.86 C[C@H](O)CC1=C(Br)C=NC=C1 AT12941 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.86 NC1=CC=CN=C1OC(F)F O10518 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.157 CC(=O)NC1=CC=CC(Cl)=N1 F17978 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.157 CC(C)CC1=CC=CC(N)=C1 O11024 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 C77831 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 C78133 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.157 CC(C)NC1=NC=CC(N)=C1 F19784 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.157 CC(C)OC1=CC(Br)=CN=C1 F19749 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.157 CC(C)OC1=CN=CC(Cl)=N1 55121 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.157 CC(C)OC1=NC=CC(N)=C1 AT18134 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 AC5601 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 E72139 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 83690 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 N11066 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.157 C[C@H](N)CC1=CC=CC(F)=C1 N10878 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 S12253 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 AC4724 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.509 C[Si](C)(C)SC1=CC=CC=C1 D76934 [0,1,0,0,0,0|2,1,0]=4 97 B11R1.509 [2H]C([2H])([2H])CC1=CC=CC=C1 D99355 [0,1,0,0,0,0|3,0,0]=4 98 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,0,0,1,0,0|2,0,0]=3 99 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [0,0,0,1,0,0|2,0,1]=4 100 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.6 CN(C)C1=NC=NC=C1 O12006 [0,0,0,0,1,0|2,0,0]=3 102 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,0,0,0,1,0|2,0,0]=3 103 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,0,0,0,1,0|1,0,0]=2 104 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,0,0,0,1,0|3,0,0]=4 106 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,0,0,0,1,0|1,0,0]=2 107 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,0,0,0,1,0|2,0,0]=3 108 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,0,0,0,1,0|2,0,0]=3 109 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,0,0,0,1,0|2,0,0]=3 110 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,0,0,0,1,0|2,0,0]=3 111 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,0,0,0,1,0|2,0,0]=3 112 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,0,0,0,1,0|2,0,0]=3 113 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,0,0,0,1,0|2,0,1]=4 114 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,0,0,0,1,0|2,0,1]=4 115 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,0,0,0,1,0|2,0,1]=4 116 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [0,0,0,0,1,0|2,0,0]=3 117 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [0,0,0,0,1,0|2,0,0]=3 118 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [0,0,0,0,1,0|2,0,0]=3 119 B9R1.13 C[C@H](N)CC1=CSC=C1 89730 [0,0,0,0,1,0|2,0,0]=3 120 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [0,0,0,0,1,0|2,0,0]=3 121 B9R1.13 C[C@H](N)CN1C=NC=N1 AT12353 [0,0,0,0,1,0|3,0,0]=4 122 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,0,0,0,1,0|2,0,0]=3 123 B9R1.13 C[C@H](O)CC1=CSC=C1 58210 [0,0,0,0,1,0|2,0,0]=3 124 B9R1.13 C[C@H](O)CC1=CSC=C1 58214 [0,0,0,0,1,0|2,0,0]=3 125 B9R1.13 C[C@H](O)CC1=CSC=C1 58218 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,1|1,0,1]=3 127 B11R1.91 CC(C)NCC1=CC=CN=C1 AC5151 [0,0,0,0,0,1|2,0,0]=3 128 B11R1.91 CC(C)NCC1=CC=NC=C1 AC6648 [0,0,0,0,0,1|2,0,0]=3 129 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12753 [0,0,0,0,0,1|2,0,0]=3 130 B11R1.91 C[C@H](N)COC1=CC=CC=C1 N12763 [0,0,0,0,0,1|2,0,0]=3 131 B11R1.91 C[C@H](N)CSC1=CC=CC=C1 AT26670 [0,0,0,0,0,1|2,0,0]=3 132 B11R1.91 N=C(N)CCC1=NC=CC=C1 C14497 [0,0,0,0,0,1|2,0,1]=4 133 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,1|2,0,1]=4 134 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [0,0,0,0,0,1|2,0,1]=4 135 B8R1.2 BrCC1=NC=CC=N1 D79434 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 CNC1=CC=CN=N1 79165 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 CSC1=NC=CC=N1 O10841 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 ClCC1=NC=NC=C1 A10562 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 SCC1=NC=CN=C1 78318 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.1 CCNC1=CC=C(C)N=N1 AT18438 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.1 CNCC1=NC=C(Br)C=N1 AT18380 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.1 CNCC1=NC=C(Cl)C=C1 AT26664 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.1 N#CCC1=NC=C(F)C=C1 O10489 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.1 [BH3-]C1=CN=C(OCC)N=C1 AC8964 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.4 CC1=CC=CN=C1CC#N C90297 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.4 CCNC1=NC=CC=C1N AC7989 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.10 CC#CC1=CC=CC(Cl)=N1 94007 [1,1,0,0,0,0|0,0,2]=4 164 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.10 CCNC1=CN=CC(Cl)=N1 F15512 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.10 COCC1=NC=NC(N)=C1 92042 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.10 N#CCC1=CC=CC(Cl)=N1 O10491 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.10 NC1=CC(CCO)=NC=N1 AC8190 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.15 C#C[C@@H](O)C1=NC=CC=C1 AC5788 [1,1,0,0,0,0|0,0,2]=4 184 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [1,1,0,0,0,0|0,0,0]=2 188 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.17 CCCCC1=CC=CN=N1 O10974 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.17 CNNCC1=NC=CC=C1 30190 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.17 NCCNC1=NC=CC=C1 O12009 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,1,0,0,0,0|0,0,1]=3 205 B10R1.17 O=CNCC1=NC=CC=C1 AC6369 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.17 OCCCC1=CCC=CC1 72320 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.17 OCCNC1=NC=CC=N1 AT18240 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.17 OCCOC1=NC=CC=C1 C90307 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,1,0,0,0,0|0,0,0]=2 212 B10R1.13 CC(C)C1=NC=C(N)C=N1 81917 [0,1,0,0,1,0|1,0,0]=3 213 B10R1.13 CC(C)C1=NN=C(Br)C=C1 C14147 [0,1,0,0,1,0|1,0,0]=3 214 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,1,0,0,1,0|1,0,0]=3 215 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,1,0,0,1,0|2,0,0]=4 216 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,1,0,0,1,0|2,0,0]=4 217 B10R1.13 CN(C)C1=CN=C(I)C=N1 O11454 [0,1,0,0,1,0|2,0,0]=4 218 B10R1.13 CN(C)C1=NC=C(N)C=C1 D74940 [0,1,0,0,1,0|1,0,0]=3 219 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,1,0,0,1,0|2,0,0]=4 220 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,1,0,0,1,0|2,0,0]=4 221 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [0,1,0,0,1,0|1,0,0]=3 222 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [0,1,0,0,1,0|1,0,0]=3 223 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [0,1,0,0,1,0|1,0,0]=3 224 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [0,1,0,0,1,0|1,0,0]=3 225 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [0,1,0,0,1,0|1,0,0]=3 226 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91194 [0,1,0,0,1,0|2,0,0]=4 227 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 P12221 [0,1,0,0,1,0|2,0,0]=4 228 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,1,0,0,1,0|1,0,0]=3 229 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 73092 [0,1,0,0,1,0|2,0,0]=4 230 B10R1.28 CC(C)(C)C1=NC=CC=C1 C75774 [0,1,0,0,1,0|0,0,0]=2 231 B10R1.28 CC(C)(C)C1=NC=CN=C1 T70779 [0,1,0,0,1,0|1,0,0]=3 232 B10R1.28 CC(C)(N)C1=NC=CC=N1 AT12626 [0,1,0,0,1,0|1,0,0]=3 233 B10R1.28 CC(C)(N)C1=NC=CC=N1 D75134 [0,1,0,0,1,0|1,0,0]=3 234 B10R1.28 CC(C)(O)C1=NC=CC=N1 AT18243 [0,1,0,0,1,0|1,0,0]=3 235 B10R1.28 ClC(Cl)(Cl)C1=NC=CC=C1 S11288 [0,1,0,0,1,0|2,0,0]=4 236 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [0,1,0,0,1,0|1,0,0]=3 237 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [0,1,0,0,1,0|2,0,0]=4 238 B10R1.28 [2H]C([2H])([2H])C1=NC=CC=C1 D98627 [0,1,0,0,1,0|2,0,0]=4 239 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,1,0,0,1,0|2,0,0]=4 240 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [0,1,0,0,1,0|1,0,0]=3 241 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [0,1,0,0,1,0|1,0,0]=3 242 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [0,1,0,0,1,0|1,0,0]=3 243 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,1,0,0,1,0|1,0,0]=3 244 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [0,1,0,0,1,0|2,0,0]=4 245 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [0,1,0,0,1,0|2,0,0]=4 246 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [0,1,0,0,1,0|1,0,0]=3 247 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [0,1,0,0,1,0|1,0,0]=3 248 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,1,0,0,1,0|1,0,1]=4 249 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 D71924 [0,1,0,0,1,0|2,0,0]=4 250 B10R1.113 CC(C)C1=NC=CC(Cl)=N1 W12563 [0,1,0,0,1,0|1,0,0]=3 251 B10R1.113 CC1=CC(C(F)F)=NC=C1 C91253 [0,1,0,0,1,0|2,0,0]=4 252 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,1,0,0,1,0|1,0,0]=3 253 B10R1.113 CC1=CC=CC(N(C)C)=N1 N10110 [0,1,0,0,1,0|1,0,0]=3 254 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 N13137 [0,1,0,0,1,0|1,0,0]=3 255 B10R1.113 CC1=NC=CC(C(C)C)=N1 O11252 [0,1,0,0,1,0|1,0,0]=3 256 B10R1.113 CN(C)C1=CC(I)=NC=N1 N10071 [0,1,0,0,1,0|2,0,0]=4 257 B10R1.113 CN(C)C1=CC=CC(F)=N1 AT20362 [0,1,0,0,1,0|1,0,0]=3 258 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 C16301 [0,1,0,0,1,0|1,0,0]=3 259 B10R1.113 CN(C)C1=NC=CC(O)=N1 AT18298 [0,1,0,0,1,0|2,0,0]=4 260 B10R1.113 CN(N)C1=CC=CC(Br)=N1 95484 [0,1,0,0,1,0|2,0,0]=4 261 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,1,0,0,1,0|2,0,0]=4 262 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,1,0,0,1,0|2,0,0]=4 263 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=N1 55243 [0,1,0,0,1,0|1,0,0]=3 264 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90539 [0,1,0,0,1,0|1,0,0]=3 265 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 90540 [0,1,0,0,1,0|1,0,0]=3 266 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,1,0,0,1,0|2,0,0]=4 267 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,1,0,0,1,0|2,0,0]=4 268 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D81409 [0,1,0,0,1,0|1,0,0]=3 269 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,1,0,0,1,0|2,0,0]=4 270 B10R1.113 C[C@H](N)C1=NC=CC(Br)=C1 90526 [0,1,0,0,1,0|1,0,0]=3 271 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14934 [0,1,0,0,1,0|1,0,0]=3 272 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14935 [0,1,0,0,1,0|1,0,0]=3 273 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,1,0,0,1,0|2,0,0]=4 274 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,1,0,0,1,0|1,0,0]=3 275 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,1,0,0,1,0|2,0,0]=4 276 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [0,1,0,0,1,0|1,0,0]=3 277 B10R1.113 FC1=NC(C(F)F)=CC=C1 E72212 [0,1,0,0,1,0|2,0,0]=4 278 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,1,0,0,1,0|1,0,0]=3 279 B10R1.23 CC(C)[C@H](N)C1=COC=C1 N16723 [0,1,0,0,1,0|1,0,0]=3 280 B10R1.23 CC(C)[C@H](N)C1=COC=C1 N16724 [0,1,0,0,1,0|1,0,0]=3 281 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14681 [0,1,0,0,1,0|1,0,0]=3 282 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14682 [0,1,0,0,1,0|1,0,0]=3 283 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,1,0,0,1,0|2,0,0]=4 284 B10R1.23 CC(O)C(N)C1=COC=C1 N16790 [0,1,0,0,1,0|2,0,0]=4 285 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,1,0,0,1,0|2,0,0]=4 286 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,1,0,0,1,0|2,0,0]=4 287 B10R1.23 C[C@@H](O)[C@H](N)C1=COC=C1 N16791 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.23 C[C@@H](O)[C@H](N)C1=COC=C1 N16793 [0,1,0,0,1,0|2,0,0]=4 289 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,1,0,0,1,0|2,0,0]=4 290 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,1,0,0,1,0|2,0,0]=4 291 B10R1.23 C[C@H](O)[C@H](N)C1=COC=C1 N16792 [0,1,0,0,1,0|2,0,0]=4 292 B10R1.27 NC[C@H](O)CN1C=CC=N1 AT15769 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.54 CC(C)CC1=NC(Br)=NN1 AT12527 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.54 CC(C)CC1=NN=C(Br)S1 AT19526 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.54 CC(C)CC1=NN=C(N)S1 F17068 [0,1,0,0,1,0|2,0,0]=4 296 B10R1.54 CC(C)CN1C=C(O)C=N1 AT11884 [0,1,0,0,1,0|1,0,0]=3 297 B10R1.54 CN(C)CC1=CSC(Br)=C1 F30516 [0,1,0,0,1,0|2,0,0]=4 298 B10R1.281 CC(C)(O)CC1=CSC=C1 F13451 [0,1,0,0,1,0|1,0,0]=3 299 B10R1.281 C[N+](C)(C)CC1=CC=CN1 AC9514 [0,1,0,0,1,0|1,0,1]=4 300 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 C78335 [0,1,0,0,0,1|1,0,0]=3 301 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 C78202 [0,1,0,0,0,1|1,0,0]=3 302 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 C77883 [0,1,0,0,0,1|1,0,0]=3 303 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,1,0,0,0,1|1,0,0]=3 304 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [0,1,0,0,0,1|2,0,0]=4 305 B12R1.21 CN(C)\C=N\C1=NC=C(Br)C=C1 D85943 [0,1,0,0,0,1|1,0,1]=4 306 B12R1.21 C[C@H](N)CCC1=CC=C(Br)C=C1 84991 [0,1,0,0,0,1|2,0,0]=4 307 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [0,1,0,0,0,1|2,0,0]=4 308 B12R1.21 C[C@H](N)COC1=CC=C(Br)C=C1 C78409 [0,1,0,0,0,1|2,0,0]=4 309 B12R1.21 C[C@H](N)COC1=CC=C(F)C=C1 C77796 [0,1,0,0,0,1|2,0,0]=4 310 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 C10570 [0,1,0,0,0,1|1,0,1]=4 311 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,1,0,0,0,1|1,0,0]=3 312 B12R1.107 CC(C)CC(=O)C1=CN=CC=C1 F30170 [0,1,0,0,0,1|2,0,0]=4 313 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 F30232 [0,1,0,0,0,1|0,0,0]=2 314 B12R1.107 CC(C)C[C@H](N)C1=CC=NC=C1 AC7589 [0,1,0,0,0,1|2,0,0]=4 315 B12R1.107 CC(C)C[C@H](O)C1=CN=CC=C1 F50992 [0,1,0,0,0,1|2,0,0]=4 316 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 A11925 [0,1,0,0,0,1|1,0,0]=3 317 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 C78399 [0,1,0,0,0,1|2,0,0]=4 318 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 C78572 [0,1,0,0,0,1|1,0,0]=3 319 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 C78237 [0,1,0,0,0,1|1,0,0]=3 320 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 C78588 [0,1,0,0,0,1|1,0,0]=3 321 B12R1.125 CC(C)OCC1=C(Br)C=CC=C1 N10193 [0,1,0,0,0,1|1,0,0]=3 322 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 C77759 [0,1,0,0,0,1|1,0,0]=3 323 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 C78565 [0,1,0,0,0,1|1,0,0]=3 324 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 C78564 [0,1,0,0,0,1|1,0,0]=3 325 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 F20261 [0,1,0,0,0,1|1,0,0]=3 326 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 C78583 [0,1,0,0,0,1|1,0,0]=3 327 B12R1.226 CC1=CC=CC(OC[C@H](C)N)=C1 F50497 [0,1,0,0,0,1|2,0,0]=4 328 B12R1.891 CS(=O)(=O)OCC1=NC=CC=C1 92886 [0,1,0,0,0,1|2,0,0]=4 329 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,2,0,0,0,0|2,0,0]=4 331 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.19 CC(C)CC1=CC(Br)=C(N)N=C1 N10717 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.19 CC(C)NC1=CC(I)=C(Cl)C=N1 F51211 [0,2,0,0,0,0|1,0,0]=3 335 B12R1.19 CC1=C(Br)C=NC(OC(C)C)=N1 C91352 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.19 CC1=C(N)C=CC(OC(C)C)=N1 89631 [0,2,0,0,0,0|1,0,0]=3 337 B12R1.19 C[C@H](N)CC1=CC(Cl)=C(Cl)C=C1 N10880 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.19 C[C@H](N)CC1=CC(F)=C(F)C=C1 N11068 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.19 C[C@H](N)CC1=CC(F)=C(F)C=C1 N14355 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.20 CC(C)C(=O)C1=NC=C(Br)C=C1 N14257 [0,2,0,0,0,0|0,0,1]=3 341 B12R1.20 CC(C)C(=O)C1=NC=C(Cl)C=C1 N14253 [0,2,0,0,0,0|0,0,1]=3 342 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 N12796 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 N12886 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 C78465 [0,2,0,0,0,0|1,0,0]=3 345 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31298 [0,2,0,0,0,0|1,0,0]=3 346 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 N12546 [0,2,0,0,0,0|1,0,0]=3 347 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 N12875 [0,2,0,0,0,0|1,0,0]=3 348 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 26032 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.20 CC(O)C(N)C1=CC=C(Br)C=C1 N15665 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.20 CC(O)C(N)C1=CC=C(Cl)C=C1 N15654 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.20 CC(O)C(N)C1=CC=C(F)C=C1 N15651 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.20 CC(O)C(N)C1=CC=C(N)C=C1 N16144 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.20 CC(O)C(N)C1=CC=C(O)C=C1 N15674 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.20 CC(O)[C@H](N)C1=CC=C(Br)C=C1 N15664 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.20 CC(O)[C@H](N)C1=CC=C(Cl)C=C1 N15655 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.20 CC(O)[C@H](N)C1=CC=C(F)C=C1 N15650 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.20 CC(O)[C@H](N)C1=CC=C(O)C=C1 N15675 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.20 CC1=CC=C(C(N)C(C)O)C=C1 N15701 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.20 CC1=CC=C([C@@H](N)C(C)O)C=C1 N15702 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15703 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15705 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15704 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.20 CN(C)C(=O)C1=NC=C(Br)C=C1 C91397 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.20 C[C@@H](C1=CC=C(Br)C=C1)N(C)C N11474 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15660 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15662 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15657 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15659 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15647 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(F)C=C1 N15649 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16141 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(N)C=C1 N16143 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15676 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15678 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15661 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15656 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(F)C=C1 N15648 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(N)C=C1 N16142 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15677 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.49 CC[C@H](N)CC1=CC=C(C)C=C1 N12825 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.49 CC[C@H](N)CC1=CC=C(Cl)C=C1 N14547 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.49 CC[C@H](N)CC1=CC=C(F)C=C1 N14543 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.49 CC[C@H](N)CC1=CC=C(I)C=C1 85182 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.49 CN[C@@H](C)CC1=CC=C(F)C=C1 N12809 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.49 COC(=O)CC1=NC=C(Cl)C=C1 93630 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.49 C[C@@H](CN)OC1=CC=C(Cl)C=C1 C77969 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,2,0,0,0,0|1,0,1]=4 390 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11240 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78517 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 AT10694 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 C78160 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.49 N[C@H](CO)CC1=CC=C(I)C=C1 85183 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.106 CC(C)(C)OC1=CN=C(Br)C=N1 75477 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.106 CC(C)(C)OC1=NC=C(Br)C=C1 F19673 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.106 CC(C)(C)SC1=CC=C(N)C=C1 AT20975 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.106 CC(C)(N)CC1=CC=C(O)C=C1 F30911 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.106 CC(C)(O)CC1=CC=C(Br)C=C1 AT24485 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.233 CC(C)OC1=C(Br)C=C(Cl)C=C1 C91609 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.233 CC(C)OC1=NC=C(Br)C=C1Cl W12587 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.233 CC(C)OC1=NC=C(Cl)C=C1F W12585 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.233 CN(C)CC1=C(F)C=C(Br)C=C1 N11554 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(Cl)C=C1 N11064 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(F)C=C1 N11062 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.34 CC[C@H](C)C(=O)C1=CC=CC=C1 N13974 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.34 COC(=O)[C@H](N)C1=NC=CC=C1 O11860 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 23172 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 AT23147 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.124 CC(C)C(=O)C1=C(Br)C=CC=C1 N13960 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.124 CC(C)[C@H](N)C1=C(F)C=CC=C1 N13028 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.124 CC(C)[C@H](N)C1=C(N)C=CC=C1 N13005 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.124 CC(O)C(N)C1=C(Br)C=CC=C1 N15549 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 N15543 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.124 CC(O)C(N)C1=C(F)C=CC=C1 N15535 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 N15626 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 N15541 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.124 CC(O)[C@H](N)C1=C(F)C=CC=C1 N15534 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.124 CC(O)[C@H](N)C1=C(O)C=CC=C1 N15627 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.124 CC1=C(C(=O)C(C)C)C=CC=C1 N12569 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 N15523 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.124 CC1=C([C@@H](N)C(C)C)C=CC=C1 N12591 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 N15525 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15527 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15529 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15526 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.124 CC1=CC=CN=C1C(=O)C(C)C N12211 [0,2,0,0,0,0|0,0,1]=3 429 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13862 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13863 [0,2,0,0,0,0|0,0,0]=2 431 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13867 [0,2,0,0,0,0|0,0,0]=2 432 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13868 [0,2,0,0,0,0|0,0,0]=2 433 B12R1.124 CC1=CC=CN=C1[C@@H](N)C(C)C N13869 [0,2,0,0,0,0|0,0,0]=2 434 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15544 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15546 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15537 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15539 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15530 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15532 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16152 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16154 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15629 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15631 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15548 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15538 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15531 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.124 C[C@H](O)[C@H](N)C1=C(N)C=CC=C1 N16153 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15628 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.225 CC(C)C(=O)C1=CC(Cl)=NC=N1 F50482 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=N1 N14259 [0,2,0,0,0,0|0,0,1]=3 451 B12R1.225 CC(C)C(=O)C1=CC=CC(Cl)=C1 N13957 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.225 CC(C)C(=O)C1=CC=CC(F)=C1 N13951 [0,2,0,0,0,0|1,0,1]=4 453 B12R1.225 CC(C)[C@H](N)C1=CC(Cl)=NC=N1 F50481 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.225 CC(O)C(N)C1=CC(N)=CC=C1 N16147 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 N15614 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 N15637 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 N15640 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 N15625 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.225 CC(O)[C@H](N)C1=CC(N)=CC=C1 N16148 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Br)=C1 N15615 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.225 CC(O)[C@H](N)C1=CC=CC(Cl)=C1 N15636 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.225 CC(O)[C@H](N)C1=CC=CC(F)=C1 N15641 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.225 CC(O)[C@H](N)C1=CC=CC(O)=C1 N15624 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.225 CC1=CC=CC([C@@H](N)C(C)C)=C1 N13039 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.225 CN(C)C(=O)C1=NC=CC(Br)=C1 C91408 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16149 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.225 C[C@@H](O)[C@H](N)C1=CC(N)=CC=C1 N16151 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15617 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15619 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15632 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15634 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15642 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(F)=C1 N15644 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15620 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.225 C[C@@H](O)[C@H](N)C1=CC=CC(O)=C1 N15622 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(O)=C1 F18205 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.225 C[C@H](O)[C@H](N)C1=CC(N)=CC=C1 N16150 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15635 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15643 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15621 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.253 CC(C)[C@](C)(O)C1=NC=CN=C1 F50271 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CN=C1 F30932 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.564 CC(C)(C)[C@H](N)C1=CC=NC=C1 F30933 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.564 CC(C)(C)[C@H](N)C1=NC=CC=C1 F30931 [0,2,0,0,0,0|0,0,0]=2 485 B12R1.564 CC(C)(C)[C@H](N)C1=NC=CC=N1 AT12620 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.564 CC(C)(N)C(=O)C1=CC=CC=C1 72852 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 AT21614 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 C14174 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.564 N[C@H](C1=NC=CC=C1)C(F)(F)F 79818 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.564 N[C@H](C1=NC=CC=C1)C(F)(F)F 79820 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.32 C#CCN(C)CC1=CC=CC=C1 T72610 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.32 CON[C@@H](C)CC1=CC=CC=C1 D79919 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78461 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.50 CC[C@H](N)CC1=CC(C)=CC=C1 N14536 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.50 CC[C@H](N)CC1=CC=CC(Br)=C1 N14532 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.50 CC[C@H](N)CC1=CC=CC(Cl)=C1 N14527 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.50 CC[C@H](N)CC1=CC=CC(F)=C1 N14524 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.50 CN[C@@H](C)CC1=CC=CC(F)=C1 N12793 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.50 COC(=O)CC1=CC=CC(Br)=N1 AT23263 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.50 COC(=O)CC1=NC=CC(Cl)=C1 AT23282 [0,2,0,0,0,0|1,0,1]=4 501 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78100 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 C78242 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 Y11238 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11307 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12975 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 C76076 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.118 NC[C@@H](CO)CC1=CC=NC=C1 C90589 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 C78603 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 N11149 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.371 CC1=C(O[C@@H](C)CN)C=CC=C1 F50684 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.371 CC[C@H](N)CC1=C(Br)C=CC=C1 N14510 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.371 CC[C@H](N)CC1=C(C)C=CC=C1 N14512 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.371 CC[C@H](N)CC1=C(Cl)C=CC=C1 N14502 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.371 CC[C@H](N)CC1=C(F)C=CC=C1 N14507 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.371 NC[C@@H](N)CC1=C(F)C=CC=C1 N14640 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.371 N[C@H](CO)CC1=C(Br)C=CC=C1 C77829 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11299 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11304 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11418 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 S10925 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 C90142 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11278 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11279 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.75 COC1=CC=CN=C1CC(C)=O F31310 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.127 CC(C)NC1=C(N)C=CC(Br)=C1 AC2781 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.127 CC(C)OC1=C(N)C=CC(Br)=C1 53627 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.127 CC(C)OC1=C(N)C=CC(Cl)=C1 95905 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.127 CC1=CC=C(N)C(OC(C)C)=N1 AT20966 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.127 CN(C)CC1=C(Cl)C=CC(Br)=C1 N11590 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.127 CN(C)CC1=C(Cl)C=CC(N)=C1 AT11207 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.127 CN(C)CC1=C(F)C=CC(Br)=C1 N10241 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.127 C[C@H](N)CC1=C(F)C=CC(F)=C1 N11067 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.151 CC(C)(O)CC1=C(Br)C=NC=C1 AT12939 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.151 CC1=CC=CN=C1NC(C)(C)C 78293 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.224 CC(C)NC1=NN=CC(Cl)=C1N 91280 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.224 CC(C)OC1=C(F)C(O)=CC=C1 AT21292 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.224 CC1=C(Br)C=CC=C1NC(C)C 96869 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.224 CC1=C(I)C=CN=C1OC(C)C 96429 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.224 C[C@H](N)CC1=CC=CC(Cl)=C1Cl N11069 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.1009 C[C@H](N)CC1=C(Cl)C=CC=C1Cl N11065 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.101 CC(C)OC1=NC(Cl)=CC(Cl)=N1 97015 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.101 CC(C)OC1=NC(Cl)=NC(Cl)=C1 F19815 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.101 CC1=CC(Br)=CC(CN(C)C)=C1 N11538 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.119 CC(C)(C)OC1=NC=CC(Br)=N1 AT18237 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.119 CC(C)(O)CC1=CC=CC(Br)=C1 AT24484 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.438 CC(C)NC1=NC=CC(C#N)=C1 F18521 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.438 CC(C)OC1=NC=CC(CO)=C1 90610 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 N10869 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.39 CC(C)N1C=NC=C1C=O W18620 [0,0,1,1,0,0|2,0,0]=4 550 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [1,0,0,1,0,0|2,0,0]=4 551 B10R2.6 C1=CN=C(C2CC2)N=C1 P12514 [1,0,0,1,0,0|1,0,0]=3 552 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [1,0,0,1,0,0|2,0,0]=4 553 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,1,0,0|1,0,0]=3 554 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [1,0,0,1,0,0|2,0,0]=4 555 B10R2.7 C1=NC=C2CCNC2=N1 93647 [1,0,0,1,0,0|2,0,0]=4 556 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [1,0,0,1,0,0|2,0,0]=4 557 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|2,0,0]=4 558 B10R2.5 N[C@H]1C[C@@H]1C2=CSC=C2 AT16875 [0,0,0,1,1,0|2,0,0]=4 559 B12R2.22 BrC1CC(C2=CC=CC=C2)C1 AT17150 [0,0,0,1,0,1|2,0,0]=4 560 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P20296 [0,0,0,1,0,1|2,0,0]=4 561 B12R2.22 NC1CN(C2=NC=NC=C2)C1 P18626 [0,0,0,1,0,1|2,0,0]=4 562 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,0,0,1,0,1|2,0,0]=4 563 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,0,0,1,0,1|2,0,0]=4 564 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [0,0,0,1,0,1|1,0,0]=3 565 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,0,0,1,0,1|1,0,0]=3 566 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,0,0,1,0,1|1,0,0]=3 567 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,0,0,1,0,1|2,0,0]=4 568 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [0,0,0,1,0,1|2,0,0]=4 569 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,0,0,1,0,1|2,0,0]=4 570 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,0,0,1,0,1|2,0,0]=4 571 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,0,0,1,0,1|2,0,0]=4 572 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,0,0,1,0,1|1,0,0]=3 573 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 AC5083 [0,0,0,1,0,1|2,0,0]=4 574 B12R2.2403 CC1(C)CNC2=CC=CN=C21 85485 [0,0,0,1,0,1|2,0,0]=4 575 B12R2.79 NC1CC1C2=CC=C(F)C=C2 96610 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.79 NC1CC1C2=CC=C(O)C=C2 AT19453 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.79 NC1CC1C2=CC=C(O)C=C2 D88027 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96593 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 E72639 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 FD10509 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.294 BrC1=CC=C(NC2CC2)C=C1 AT13548 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.294 BrC1=CC=C(SC2CC2)C=C1 AT24051 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.294 BrC1=CN=C(OC2CC2)C=C1 D75905 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.294 BrC1=CN=C(OC2CC2)N=C1 AT18235 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.294 FC1=CC=C(OC2CC2)C=C1 AT21306 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.294 FC1=CN=C(NC2CC2)C=C1 88580 [0,1,0,1,0,0|1,0,0]=3 587 B12R2.294 NC1=CC=C(OC2CC2)C=C1 AT11984 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.606 NC1=CC2=C(C=C1)C[C@H](O)C2 94670 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.606 N[C@H]1CC2=C(C=C(Cl)C=C2)C1 C16302 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.606 N[C@H]1CC2=C(C=C(F)C=C2)C1 Y10225 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 25202 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 36607 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.18 CN1CC2=C(C=CC=N2)C1=O F18170 [0,1,0,1,0,0|1,0,1]=4 595 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F13978 [0,1,0,1,0,0|1,0,0]=3 596 B12R2.2075 N[C@H](C1=CC=NC=C1)C2CC2 S11230 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 E70146 [0,1,0,1,0,0|0,0,0]=2 598 B12R2.2075 O[C@H](C1=CC=NC=C1)C2CC2 AC5878 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.27 BrC[C@@H]1C[C@@H]1C2=CC=CC=C2 55233 [0,1,0,1,0,0|1,0,0]=3 600 B12R2.27 BrC[C@H]1C[C@@H]1C2=CC=CC=C2 55239 [0,1,0,1,0,0|1,0,0]=3 601 B12R2.27 O=CC1CC1C2=CC=CC=C2 F52095 [0,1,0,1,0,0|1,0,1]=4 602 B12R2.27 OCC1CC1C2=NC=CC=C2 91729 [0,1,0,1,0,0|0,0,0]=2 603 B12R2.27 OC[C@H]1C[C@@H]1C2=NC=CC=C2 91718 [0,1,0,1,0,0|0,0,0]=2 604 B12R2.32 CNC1CC2=C(C=CC=C2)C1 D86972 [0,1,0,1,0,0|1,0,0]=3 605 B12R2.94 NC1(CC2=CC=CC=C2)CC1 D74695 [0,1,0,1,0,0|1,0,0]=3 606 B12R2.2058 C1=CN=C(OC2CNC2)C=C1 88530 [0,1,0,1,0,0|1,0,0]=3 607 B12R2.2058 C1=CN=C(OC2CNC2)N=C1 AT18236 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.225 BrC1=C(NC2CC2)C=CC=C1 AT17125 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.225 BrC1=C(SC2CC2)C=CC=C1 AT20841 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.225 FC1=C(OC2CC2)C=CC=C1 AT21296 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.225 IC1=C(OC2CC2)C=CC=C1 F53780 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 D86978 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AC1027 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(F)=C2 E72638 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.1286 ClC1=NC=NC(OC2CC2)=C1 92054 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.1286 NC1=CC(OC2CC2)=NC=N1 92055 [0,1,0,1,0,0|2,0,0]=4 617 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 F51253 [0,0,0,2,0,0|2,0,0]=4 618 B8R1.8 BrCCC1=CC=CS1 F20027 [1,0,0,0,1,0|2,0,0]=4 619 B8R1.8 CNCC1=CSC=C1 AT16803 [1,0,0,0,1,0|2,0,0]=4 620 B8R1.8 CNCC1=CSC=N1 AT10976 [1,0,0,0,1,0|2,0,0]=4 621 B8R1.8 CNCC1=CSC=N1 AT14743 [1,0,0,0,1,0|2,0,0]=4 622 B8R1.8 CNCC1=NC=CN1 W10149 [1,0,0,0,1,0|2,0,0]=4 623 B8R1.8 CNCC1=NC=CS1 AT10974 [1,0,0,0,1,0|2,0,0]=4 624 B8R1.8 CNCC1=NNC=C1 F31265 [1,0,0,0,1,0|2,0,0]=4 625 B8R1.8 CNCC1=NOC=C1 AT10962 [1,0,0,0,1,0|2,0,0]=4 626 B8R1.8 COCC1=NC=CN1 P10070 [1,0,0,0,1,0|2,0,0]=4 627 B8R1.8 ClCCC1=CNC=N1 D82567 [1,0,0,0,1,0|2,0,0]=4 628 B8R1.8 NCCC1=COC=N1 AT18667 [1,0,0,0,1,0|2,0,0]=4 629 B8R1.8 NCCC1=NC=CS1 F51904 [1,0,0,0,1,0|2,0,0]=4 630 B8R1.8 NCCC1=NNC=C1 AC2815 [1,0,0,0,1,0|2,0,0]=4 631 B8R1.8 NCCN1C=CC=N1 AT10968 [1,0,0,0,1,0|2,0,0]=4 632 B8R1.7 CC(C)C1=NN=CN1 AT12319 [0,0,0,0,2,0|2,0,0]=4 633 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,0,0,0,2,0|2,0,0]=4 634 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,0,0,0,2,0|2,0,0]=4 635 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,0,0,0,2,0|2,0,0]=4 636 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,0,0,0,2,0|2,0,0]=4 637 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,0,0,0,2,0|2,0,0]=4 638 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,0,0,0,2,0|2,0,0]=4 639 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,0,0,0,2,0|2,0,0]=4 640 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,0,0,0,2,0|2,0,0]=4 641 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,0,0,0,2,0|2,0,0]=4 642 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,0,0,0,2,0|2,0,0]=4 643 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,0,0,0,2,0|2,0,0]=4 644 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,0,0,0,2,0|2,0,0]=4 645 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,0,0,0,2,0|2,0,0]=4 646 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,0,0,0,2,0|2,0,0]=4 647 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,0,0,0,2,0|2,0,0]=4 648 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,0,0,0,2,0|2,0,0]=4 649 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,0,0,0,2,0|2,0,0]=4 650 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,0,0,0,2,0|2,0,0]=4 651 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,0,0,0,2,0|2,0,0]=4 652 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,0,0,0,2,0|2,0,0]=4 653 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,0,0,0,2,0|2,0,0]=4 654 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,0,0,0,2,0|2,0,0]=4 655 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,0,0,0,2,0|2,0,0]=4 656 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,0,0,0,2,0|2,0,0]=4 657 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,0,0,0,2,0|2,0,0]=4 658 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,0,0,0,2,0|2,0,0]=4 659 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,0,0,0,2,0|2,0,0]=4 660 B12R1.252 CN(C)\C=N\CC1=CC=CC=C1 F53333 [0,0,0,0,0,2|2,0,0]=4 661 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [0,0,0,0,0,2|2,0,0]=4 662 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [0,0,0,0,0,2|2,0,0]=4 663 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,0,0,0,0,2|2,0,0]=4 664 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,0,0,0,0,2|2,0,0]=4 665 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,0,0,0,0,2|2,0,0]=4