0 B11R1.24 CCNCC1=CC(Br)=CN=C1 78915 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [1,0,0,0,0,0|1,1,0]=3 3 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [1,0,0,0,0,0|2,1,0]=4 4 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y13918 [0,1,0,0,0,0|2,1,0]=4 6 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y13919 [0,1,0,0,0,0|2,1,0]=4 7 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y13684 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y13685 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y13924 [0,1,0,0,0,0|2,1,0]=4 10 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y13925 [0,1,0,0,0,0|2,1,0]=4 11 B12R1.28 COCCNC1=NC=CC(Cl)=N1 W19218 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.226 CN(C)CCC1=CC=CC(Br)=C1 F52728 [0,1,0,0,0,0|0,1,0]=2 13 B12R2.24 BrC1=CN=C2CNCCC2=C1 P11645 [0,0,0,1,0,0|1,1,0]=3 14 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 SC4247 [0,0,0,1,0,0|1,1,0]=3 15 B12R2.24 ClC1=CC2=C(C=C1)CCOC2 Y14506 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.24 ClC1=NC2=C(C=C1)CCCO2 AT13335 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.24 ClC1=NC2=C(C=C1)COCC2 83359 [0,0,0,1,0,0|2,0,0]=3 18 B12R2.24 ClC1=NC=C2CCCCC2=C1 77586 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.24 ClC1=NC=C2CNCCC2=C1 AC3838 [0,0,0,1,0,0|1,0,0]=2 20 B12R2.24 O=C1C=C2CCCCC2=CN1 89637 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.24 OC1=NC=C2CNCCC2=C1 66263 [0,0,0,1,0,0|2,0,0]=3 22 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N11260 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 Y13416 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.203 O[C@H]1CCC2=CC=CC(F)=C21 Y14547 [0,0,0,1,0,0|2,1,0]=4 25 B12R2.612 CN1N=CC2=CC(Cl)=NC=C21 Y10961 [0,0,0,1,0,0|2,0,1]=4 26 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [0,0,0,1,0,0|2,1,0]=4 27 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,0,0,1,0,0|2,1,0]=4 28 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N11265 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 Y13417 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.612 OB1OCC2=C1C=CC(Cl)=C2 W19267 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.1081 BrC1=C2NCCCC2=CC=C1 Y13909 [0,0,0,1,0,0|2,1,0]=4 33 B12R2.1081 ClC1=C2CCCCC2=NC=C1 O11216 [0,0,0,1,0,0|2,0,0]=3 34 B12R2.1081 ClC1=NC=CC2=C1CCCC2 53693 [0,0,0,1,0,0|2,0,0]=3 35 B12R2.1081 FC1=C2CCCCC2=CC=C1 Y14505 [0,0,0,1,0,0|1,1,0]=3 36 B12R2.1081 NC1=C2COCCC2=CC=C1 W16157 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.1081 O=C1NC=CC2=C1CCCC2 54630 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.2313 BrC1=CC(C2CCC2)=CC=C1 F53633 [0,0,0,1,0,0|1,1,0]=3 39 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 32920 [0,0,0,1,0,0|1,1,0]=3 40 B12R2.2313 NC1=NC=CC(C2CCC2)=C1 80940 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.2 NCC1=CC=NC(Cl)=N1 P15224 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 CSCC1=NC=CC=C1 W19655 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 NNCC1=CC=NC=C1 78931 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11427 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12191 [1,1,0,0,0,0|0,0,0]=2 48 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13726 [1,1,0,0,0,0|0,1,0]=3 49 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13727 [1,1,0,0,0,0|0,1,0]=3 50 B11R1.34 CCCC1=CC(O)=CC(O)=C1 W19028 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96393 [1,1,0,0,0,0|0,0,0]=2 52 B11R1.189 NCC1=CC=CC(CCO)=C1 O10460 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.192 CCOC1=CC(Cl)=C(N)C=C1 Y14111 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13196 [0,2,0,0,0,0|1,1,0]=4 58 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13211 [0,2,0,0,0,0|1,1,0]=4 59 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12139 [0,2,0,0,0,0|1,1,0]=4 60 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12140 [0,2,0,0,0,0|1,1,0]=4 61 B13R1.446 CCC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11990 [0,2,0,0,0,0|1,1,0]=4 62 B13R1.446 CCC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11991 [0,2,0,0,0,0|1,1,0]=4 63 B13R1.446 CCC[C@H](N)C1=C(N)C=CC(F)=C1 Y11676 [0,2,0,0,0,0|1,1,0]=4 64 B13R1.446 CCC[C@H](N)C1=C(N)C=CC(F)=C1 Y12490 [0,2,0,0,0,0|1,1,0]=4 65 B13R1.446 CCC[C@H](N)C1=C(N)C=CC(F)=C1 Y12999 [0,2,0,0,0,0|1,1,0]=4 66 B13R1.568 CCCCC1=CC=CC(C(=O)O)=C1 D85937 [0,2,0,0,0,0|2,0,0]=4 67 B11R2.35 ClC1=NC(C2CC2)=CN=C1 AT10664 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.36 ClC1=CN=C2CNCC2=C1 E70352 [1,0,0,1,0,0|1,0,0]=3 69 B11R2.36 ClC1=NC2=C(C=C1)COC2 83487 [1,0,0,1,0,0|2,0,0]=4 70 B11R2.36 ClC1=NC2=C(C=N1)CNC2 67551 [1,0,0,1,0,0|2,0,0]=4 71 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [1,0,0,1,0,0|2,0,0]=4 72 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [1,0,0,1,0,0|1,0,0]=3 73 B11R2.106 ClC1=C2C=CCC2=CC=C1 53579 [1,0,0,1,0,0|0,0,2]=4 74 B11R2.106 ClC1=NC=CC2=C1NCC2 P18820 [1,0,0,1,0,0|1,0,0]=3 75 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [1,0,0,1,0,0|1,1,0]=4 76 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [1,0,0,1,0,0|2,0,0]=4 77 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [1,0,0,1,0,0|1,0,0]=3 78 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,1,0,0|1,0,0]=3 79 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,1,0,0|2,0,0]=4 80 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19281 [1,0,0,1,0,0|2,0,0]=4 81 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [1,0,0,1,0,0|1,0,0]=3 82 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [1,0,0,1,0,0|0,0,0]=2 83 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y11557 [0,1,0,1,0,0|1,0,0]=3 84 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y11574 [0,1,0,1,0,0|1,0,0]=3 85 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y11196 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.136 NC[C@H]1C[C@@H]1C2=CC=CC(F)=C2 D96892 [0,1,0,1,0,0|1,1,0]=4 87 B13R2.136 NC[C@H]1C[C@@H]1C2=CC=CC(F)=C2 D97020 [0,1,0,1,0,0|1,1,0]=4 88 B13R2.151 NC1CC(C2=CC=CC(Cl)=C2)C1 P20520 [0,1,0,1,0,0|1,0,0]=3 89 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 P17979 [0,1,0,1,0,0|0,1,0]=3 90 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 P20023 [0,1,0,1,0,0|0,1,0]=3 91 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 I10623 [0,1,0,1,0,0|1,0,0]=3 92 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 I11950 [0,1,0,1,0,0|1,0,0]=3 93 B13R2.162 N[C@H]1CCCC2=C1C=C(O)C=C2 Y13854 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.162 N[C@H]1CCCC2=C1C=C(O)C=C2 Y14596 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 D96421 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 Y11563 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y11818 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 D85264 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 Y13673 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 Y13675 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.3018 CC1(C2=CC=CC(Br)=C2)COC1 CS3156 [0,1,0,1,0,0|1,1,0]=4 102 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)CCC1 AC4565 [0,1,0,1,0,0|1,0,0]=3 103 B13R2.4857 C[C@H]1CC(=O)C2=CC=CC(Cl)=C21 Y13963 [0,1,0,1,0,0|1,0,1]=4 104 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(Cl)C=C2 Y14560 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.5187 C[C@H]1CC(=O)C2=C1C=CC(Cl)=C2 Y13960 [0,1,0,1,0,0|1,0,1]=4 106 B13R2.5324 N[C@H](C1=CC(Cl)=CN=C1)C2CC2 Y14757 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.3729 BrC1=CC2=C(C=C1)CNCCC2 51224 [0,1,0,1,0,0|0,1,0]=3 108 B13R2.3729 ClC1=NC2=C(C=C1)CCCCN2 W19240 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.3729 FC1=CC2=C(C=C1)CNCCC2 D84084 [0,1,0,1,0,0|0,1,0]=3 110 B13R2.3729 OC1=CC2=C(C=C1)CNCCC2 51207 [0,1,0,1,0,0|1,0,0]=3 111 B13R2.4818 O=C1NCCC2=CC=CC(Br)=C12 22945 [0,1,0,1,0,0|0,1,1]=4 112 B13R2.4818 O[C@H]1CCOC2=CC=CC(Cl)=C21 C11035 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 N11394 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 Y11140 [0,1,0,1,0,0|2,0,0]=4 115 B13R2.5179 C[C@H]1CNCC2=C1C=CC(Br)=C2 P17539 [0,1,0,1,0,0|1,1,0]=4 116 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y11524 [0,1,0,1,0,0|1,1,0]=4 117 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y11547 [0,1,0,1,0,0|1,1,0]=4 118 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 Y13738 [0,1,0,1,0,0|2,0,0]=4 119 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 Y13739 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11532 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11552 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 89005 [0,1,0,1,0,0|1,0,1]=4 123 B13R2.155 N[C@H]1CCC2=C(C=C(Cl)C=C2)C1 20168 [0,1,0,1,0,0|1,0,0]=3 124 B13R2.57 C#CC1=CC2=C(C=C1)CCCC2 C12341 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.57 COC1=NC2=C(C=C1)CNCC2 89006 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.57 COC1=NC=C2CNCCC2=C1 66262 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.57 O=CC1=CC2=C(C=C1)CNCC2 72318 [0,1,0,1,0,0|1,0,0]=3 128 B13R2.2038 ClCC1=CC(OC2CC2)=CC=C1 Y14117 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.369 CC1=C(Br)C=C2CCNCC2=C1 P20695 [0,1,0,1,0,0|0,1,0]=3 130 B13R2.369 ClC1=C(Cl)C=C2CNCCC2=C1 C76325 [0,1,0,1,0,0|0,0,0]=2 131 B13R2.11634 O[C@H]1CCC2=CC(Cl)=C(Cl)C=C21 Y13968 [0,1,0,1,0,0|2,0,0]=4