0 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.13 CN(C)CC1=CC=CN1 AC2500 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.13 CN(C)CC1=NNC=C1 AC8328 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.13 C[C@H](N)CC1=CSC=C1 89729 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.13 O=C(O)CC1=NC=CS1 26228 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.8 BrCCN1C=CC=N1 71462 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.8 BrCCN1N=CC=N1 C72075 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.8 CCCC1=NNC=C1 C16284 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.8 CCOC1=NNC=C1 AT14799 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.8 CNCC1=CNC=N1 AT15460 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.8 CNCC1=NNC=C1 33350 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 N#CCC1=NC=CS1 38066 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.8 NCCC1=CC=CN1 31556 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.8 NCCC1=CC=CN1 F10331 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.8 NCCC1=NC=CN1 F18351 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.8 NCCC1=NC=CS1 70863 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.8 NCCC1=NN=CS1 38315 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.8 NCCC1=NNC=C1 AC1362 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 NCCN1C=CC=N1 28356 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 NCCN1N=CC=N1 W16247 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,0,0,0|2,1,0]=4 23 B8R1.8 OCCC1=NNC=C1 22974 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.23 CC(C)C(=O)C1=CC=CO1 N14289 [0,1,0,0,0,0|1,1,1]=4 25 B10R1.54 CC(C)CN1C=CC(N)=N1 W18928 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.54 CC(C)OC1=NC=C(Br)S1 D70016 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.54 CC1=CC=C(CN(C)C)O1 T71781 [0,1,0,0,0,0|2,1,0]=4 28 B10R2.2 O[C@H]1CC2=NC=CN2C1 A10775 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,0,1,0|1,1,1]=4 30 B8R1.7 CC(C)C1=CC=CO1 81450 [0,0,0,0,1,0|1,1,0]=3 31 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,0,0,0,1,0|2,0,0]=3 32 B8R1.7 CC(C)C1=NCCO1 T71548 [0,0,0,0,1,0|0,1,2]=4 33 B8R1.7 CN(C)C1=NC=CS1 N10099 [0,0,0,0,1,0|1,0,0]=2 34 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,0,0,0,1,0|2,1,0]=4 35 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,0,0,0,1,0|2,1,0]=4 36 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,0,0,0,1,0|2,0,0]=3 40 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,0,0,0,1,0|3,0,0]=4 42 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,0,0,0,1,0|1,1,0]=3 45 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,0,0,0,1,0|1,0,0]=2 46 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,0,0,0,1,0|1,0,0]=2 47 B8R1.7 C[C@H](N)C1=NN=CO1 D79352 [0,0,0,0,1,0|2,1,0]=4 48 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,0,0,0,1,0|3,0,0]=4 53 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,0,0,0,1,0|3,0,0]=4 54 B8R1.7 NC(=O)C1=NC=CS1 A10602 [0,0,0,0,1,0|2,0,1]=4 55 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,0,1|2,0,1]=4 56 B10R1.18 CC(C)NC1=NC=CC=N1 C75128 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.66 O=C(O)CCC1=NC=CS1 69864 [0,0,0,0,0,1|2,0,1]=4 59 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [1,0,1,0,0,0|0,1,1]=4 60 B7R1.1 BrCC1=NC=CO1 92941 [2,0,0,0,0,0|1,1,0]=4 61 B7R1.1 BrCC1=NC=CS1 73557 [2,0,0,0,0,0|1,0,0]=3 62 B7R1.1 CCC1=NN=CO1 C10407 [2,0,0,0,0,0|1,1,0]=4 63 B7R1.1 CNC1=NC=CO1 71780 [2,0,0,0,0,0|1,1,0]=4 64 B7R1.1 CNC1=NC=CS1 26158 [2,0,0,0,0,0|1,0,0]=3 65 B7R1.1 CSC1=NC=CN1 AC1458 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.1 CSC1=NC=CO1 O10533 [2,0,0,0,0,0|1,1,0]=4 67 B7R1.1 ClCC1=CC=CS1 79790 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.1 ClCC1=NC=CS1 BL005472 [2,0,0,0,0,0|1,0,0]=3 69 B7R1.1 NCC1=NC=CN1 C72548 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.1 NNC1=NC=CS1 C74550 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.7 CC1=CC=C(CCN)S1 29986 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.7 CCCC1=NC(I)=CN1 W16409 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.7 CCCN1C=C(N)C=N1 D82823 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.7 COCC1=NN=C(N)S1 25112 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [1,1,0,0,0,0|0,0,1]=3 77 B9R1.11 CC[C@H](C)C1=NCCS1 W15587 [1,1,0,0,0,0|0,0,2]=4 78 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [1,1,0,0,0,0|1,1,0]=4 79 B9R1.11 C[C@@H](CO)C1=NC=CN1 A10618 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.12 CCNCC1=CC=CO1 C77903 [1,1,0,0,0,0|1,1,0]=4 83 B9R1.12 ClCCCN1C=CC=N1 72556 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.12 NCCCC1=NC=CN1 F10427 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.12 OCCCC1=CNC=N1 12540 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.33 CN1C=CN=C1CCCl D79294 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.19 CC(C)(C)C1=CC=CS1 AC4668 [0,1,0,0,1,0|1,0,0]=3 88 B9R1.19 CC(C)(O)C1=NC=CN1 W17929 [0,1,0,0,1,0|1,0,0]=3 89 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,1,0,0,1,0|1,0,1]=4 90 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,1,0,0,1,0|1,0,1]=4 91 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,0,1,0|1,0,1]=4 92 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,1,0,0,1,0|1,0,1]=4 93 B9R1.35 CC(C)C1=CN=C(Br)S1 27295 [0,1,0,0,1,0|2,0,0]=4 94 B9R1.35 CC(C)C1=CN=C(N)S1 84416 [0,1,0,0,1,0|2,0,0]=4 95 B9R1.35 CC(C)C1=CSC(N)=N1 29941 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.35 CC(C)C1=NN=C(Br)S1 22935 [0,1,0,0,1,0|1,0,0]=3 97 B9R1.35 CC(C)C1=NN=C(N)O1 71825 [0,1,0,0,1,0|1,1,0]=4 98 B9R1.35 CC(C)C1=NNC(=O)C1 W16000 [0,1,0,0,1,0|2,0,0]=4 99 B9R1.35 CC(C)C1=NNC(=O)O1 AT18783 [0,1,0,0,1,0|1,1,0]=4 100 B9R1.35 CC(C)N1C=C(O)C=N1 Y11650 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.35 CC(C)N1C=CC(O)=N1 79210 [0,1,0,0,1,0|2,0,0]=4 102 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,1,0,0,1,0|1,0,0]=3 103 B9R1.35 CC1=NN=C(C(C)C)N1 A12905 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.35 C[C@H](N)C1=CC(Br)=CS1 D81119 [0,1,0,0,1,0|2,0,0]=4 105 B9R1.35 FC(F)C1=NC=C(Br)S1 P13794 [0,1,0,0,1,0|2,0,0]=4 106 B9R1.41 CC(C)C1=NNC=C1Br 39129 [0,1,0,0,1,0|2,0,0]=4 107 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C71698 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.20 CC(C)OC1=NN=C(Cl)C=C1 AT23121 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.20 CC(C)OC1=NN=C(I)C=C1 C73322 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.20 CC(C)SC1=NC=C(Br)C=C1 F20124 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 P17479 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [0,1,0,0,0,1|1,0,0]=3 118 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [0,1,0,0,0,1|1,0,0]=3 119 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [0,1,0,0,0,1|1,0,0]=3 120 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [0,1,0,0,0,1|1,0,0]=3 121 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [0,1,0,0,0,1|1,0,0]=3 122 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.86 CC1=NC=CN=C1OC(C)C T73088 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.86 CN(C)CC1=C(O)C=CC=N1 D79872 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 72240 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.157 CC(C)OC1=NC=CC(Cl)=C1 W12583 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.157 CC(C)OC1=NC=CC(I)=C1 W17318 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.509 CC(C)(C)OC1=CN=CC=C1 N10411 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.509 CC(C)(C)OC1=NC=CC=C1 CS1089 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.25 CC[C@H](C)SSC1=NC=CN1 83481 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.43 CC(C)CN1C=C(C=O)C=N1 W17387 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.76 CC(C)(C)CC1=NOC(N)=C1 71565 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.76 CC(C)(O)CN1C=C(N)C=N1 P18823 [0,2,0,0,0,0|2,0,0]=4 136 B9R2.2 C1=CN(C2CC2)N=C1 25668 [1,0,0,1,0,0|2,0,0]=4 137 B9R2.2 C1=CNC(C2CC2)=N1 31955 [1,0,0,1,0,0|1,0,0]=3 138 B9R2.3 C1=NN2CCCC2=C1 O11325 [1,0,0,1,0,0|2,0,0]=4 139 B9R2.3 C1=NN2CCCC2=N1 F30286 [1,0,0,1,0,0|2,0,0]=4 140 B11R2.11 NC1CN(C2=NN=CS2)C1 P17710 [0,0,0,1,0,1|2,0,0]=4 141 B11R2.36 O[C@H]1CCC2=NC=CN2C1 I10038 [0,0,0,1,0,1|2,0,0]=4 142 B11R2.351 BrC1=CN(CC2CC2)N=C1 78632 [0,1,0,1,0,0|2,0,0]=4 143 B11R2.351 OC1=CN(CC2CC2)N=C1 AT11995 [0,1,0,1,0,0|2,0,0]=4 144 B11R2.56 CC1(C)CC2=CC=NN2C1 56837 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,0,0,0,0,1|2,0,0]=4 146 B9R1.8 CNCC1=NC=CC=N1 W11490 [1,0,0,0,0,1|2,0,0]=4 147 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,0,0,0,0,1|2,0,0]=4 148 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,0,0,0,0,1|2,0,0]=4 149 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,0,0,0,0,1|2,0,0]=4 150 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,0,0,0,0,1|2,0,0]=4 151 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [0,0,0,0,0,2|1,0,0]=3