0 B11R1.40 CCC(=O)CC1=CC=CC=C1 CS-0112591 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CNC(=O)NC1=CC=CC=C1 CS-0112589 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 N#CC(N)CC1=CC=CC=C1 CS-0104822 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 CS-0112121 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 NNC(=O)CC1=NC=CC=C1 CS-0093823 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 CS-0113182 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 NNC(=O)NC1=CC=CC=C1 CS-0100039 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C=COCC1=CC=CC=C1 CS-0049793 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 CCNCC1=CC=CN=C1 CS-0088368 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 O=CCSC1=CC=CC=C1 CS-0102366 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 O=CNCC1=CC=CC=C1 CS-0009966 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.18 FC(F)SC1=CC=CC=C1 CS-0060568 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CS-W016087 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.32 NCCC(F)CC1=CC=CC=C1 CS-0106177 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 CS-M0641 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 CS-0061793 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O CS-0106156 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 CS-0060520 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 CS-0099715 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS-W004989 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.50 N=C(CC1=CC=CC(Br)=C1)NO CS-0037376 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 CS-0053540 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.371 CNC(=O)CC1=C(Br)C=CC=C1 CS-0035872 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.371 CNC(=O)CC1=CC=CC=C1Cl CS-0037557 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.371 COC(=O)CC1=CC=CC=C1F CS-0061879 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.371 NNC(=O)CC1=C(F)C=CC=C1 CS-0099915 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.18 CC1=CC2=CC=CC=C2N1C CS-W010998 [0,0,0,1,0,0|0,0,2]=3 28 B12R2.18 CN1C(=O)CC2=CC=CN=C21 CS-0052473 [0,0,0,1,0,0|2,0,1]=4 29 B12R2.23 O=C1CCC1C2=CC=CC=C2 CS-0051808 [0,0,0,1,0,0|2,0,1]=4 30 B12R2.24 CC1CNC2=CC=CC=C2S1 CS-0094330 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.24 CC1COC2=C(C=CC=C2)N1 CS-0037800 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.24 CC1CSC2=CC=CC=C2N1 CS-0100717 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.24 NC1CCC2=C(C1)N=CC=C2 CS-0102430 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.24 NC1CNC2=CC=CC=C2C1 CS-W021270 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 CS-0053286 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 CS-0053347 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 CS-D0073 [0,0,0,1,0,0|2,0,0]=3 38 B12R2.94 NC1(CC2=CC=CC=C2)CC1 CS-0088458 [0,0,0,1,0,0|2,0,0]=3 39 B12R2.2058 C1=CC(NC2CCC2)=CC=N1 CS-0088888 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 CS-0036898 [0,0,0,1,0,0|2,0,0]=3 41 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 CS-0051226 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.2058 C1=CN=C(NC2CCC2)C=C1 CS-0088883 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.2058 C1=CN=CC(CC2CNC2)=C1 CS-0088890 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.2058 C1=CN=CC(CC2CNC2)=C1 CS-0088894 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.2058 C1=CN=CC(NC2CCC2)=C1 CS-0088885 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 CS-0109601 [0,0,0,0,1,0|2,0,1]=4 47 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 CS-0109874 [0,0,0,0,1,0|2,0,1]=4 48 B10R1.15 CC(ON)C1=CC=CC=C1 CS-0080699 [0,0,0,0,1,0|2,0,0]=3 49 B10R1.15 CC(ON)C1=NC=CC=C1 CS-0079738 [0,0,0,0,1,0|3,0,0]=4 50 B10R1.15 CCC(Br)C1=CC=CC=C1 CS-0037459 [0,0,0,0,1,0|2,0,0]=3 51 B10R1.15 COC(=N)C1=CC=CC=C1 CS-0037087 [0,0,0,0,1,0|2,0,1]=4 52 B10R1.15 N[C@H](CF)C1=CC=CC=C1 CS-0035746 [0,0,0,0,1,0|3,0,0]=4 53 B10R1.15 OCC(O)C1=CC=CC=C1 CS-W016504 [0,0,0,0,1,0|3,0,0]=4 54 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CS-W011049 [0,0,0,0,1,0|3,0,0]=4 55 B12R1.27 NCC(F)CCC1=CC=CC=C1 CS-0106176 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.8 C#CCC1=CC=CC=C1 CS-0112571 [2,0,0,0,0,0|0,0,2]=4 57 B9R1.8 CCNC1=CC=CN=C1 CS-0089664 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [2,0,0,0,0,0|0,0,0]=2 59 B9R1.8 CNCC1=CC=CN=C1 CS-0020099 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.8 CNCC1=CN=CN=C1 CS-0048870 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 CNCC1=NC=CC=C1 CS-0038433 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.8 CNCC1=NC=CC=N1 CS-0048864 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.8 ClCCC1=NC=CC=C1 CS-0096286 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 NCCC1=NC=NC=C1 CS-0057455 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.8 NNCC1=CC=NC=C1 CS-0051151 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.8 NNCC1=CN=CC=C1 CS-0051688 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 NNCC1=NC=CC=C1 CS-0052228 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.1 C#CCCC1=CC=C(Cl)C=C1 CS-0094865 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.1 NC1=CC=C(CCCO)C=C1 CS-0112322 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.1 O=CCCC1=CC=C(O)C=C1 CS-0001404 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.24 C#CCCC1=CC=CC(Cl)=C1 CS-0094867 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.24 CC1=CC(CCC=O)=CC=C1 CS-B1501 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.24 NCCCC1=CC(O)=CC=C1 CS-0044503 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.24 OCCCC1=CC=CC(F)=C1 CS-0111676 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.28 CC#CCOC1=CC=CC=C1 CS-0059947 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.28 CCCC#CC1=CC=CC=C1 CS-0066389 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.28 CNCCOC1=CC=CC=C1 CS-0096259 [1,1,0,0,0,0|0,0,0]=2 78 B11R1.28 NCCCOC1=CC=CC=C1 CS-0046980 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.91 NC(=O)CCC1=CC=CC=C1 CS-0037177 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.20 CC(C)OC1=CC=C(Br)C=N1 CS-0038218 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.20 CC1=CN=C(OC(C)C)C=C1 CS-0037036 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.20 CN(C)CC1=CC=C(Br)N=C1 CS-0101961 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.20 CN(C)CC1=CC=C(Cl)N=C1 CS-0101960 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 CS-0053036 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 CS-0096271 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.36 C=C(C1=CC=CC=C1)C(C)C CS-0037106 [1,1,0,0,0,0|0,0,1]=3 87 B11R1.86 N=C(N)CC1=CC=CC=C1Cl CS-0038731 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.157 CC(=O)CC1=CC=CC(N)=C1 CS-0094576 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.157 CC(C)OC1=NC=CC(Cl)=C1 CS-0038071 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.157 CC(C)OC1=NC=CC(I)=C1 CS-0061047 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.157 CN(C)CC1=CC=CC(N)=C1 CS-0036032 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.509 C[Si](C)(C)SC1=CC=CC=C1 CS-0109797 [1,1,0,0,0,0|1,1,0]=4 93 B11R1.7 CC(N)(CO)C1=CC=CC=C1 CS-0089923 [0,1,0,0,1,0|2,0,0]=4 94 B11R1.23 CNC(=O)C1=CC=CC(O)=C1 CS-0036168 [0,1,0,0,1,0|1,0,1]=4 95 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 CS-0061703 [0,1,0,0,0,1|2,0,0]=4 96 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 CS-0060978 [0,1,0,0,0,1|2,0,0]=4 97 B13R1.254 CC(C)(CO)OCC1=CC=CC=C1 CS-0112724 [0,1,0,0,0,1|2,0,0]=4 98 B13R1.44 O=C(CC1=CC=CC=C1)NCCO CS-0035856 [0,2,0,0,0,0|1,0,1]=4 99 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 CS-0089097 [0,2,0,0,0,0|1,0,1]=4 100 B13R1.148 CC(CC1=CC(Br)=CC=C1)C(=O)O CS-0036591 [0,2,0,0,0,0|2,0,0]=4 101 B11R2.4 NC1CC1C2=CC=CC=C2 CS-0091206 [1,0,0,1,0,0|2,0,0]=4 102 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 CS-0049739 [1,0,0,1,0,0|2,0,0]=4 103 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CS-0012736 [1,0,0,1,0,0|2,0,0]=4 104 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 CS-0020035 [1,0,0,1,0,0|2,0,0]=4 105 B11R2.20 C1=CC2=C(CNCC2)N=C1 CS-0050731 [1,0,0,1,0,0|1,0,0]=3 106 B11R2.20 C1=CC=C2CONCC2=C1 CS-0079743 [1,0,0,1,0,0|1,0,0]=3 107 B11R2.238 C1=CC=C(CC2CO2)C=C1 CS-0106157 [1,0,0,1,0,0|1,0,0]=3 108 B11R2.239 C1=CN=C(C2CNC2)N=C1 CS-0029549 [1,0,0,1,0,0|2,0,0]=4 109 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 CS-0053490 [1,0,0,1,0,0|0,0,0]=2 110 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 CS-0053438 [1,0,0,1,0,0|0,0,0]=2 111 B11R2.40 OC1(C2=CC=CC=C2)CC1 CS-0056020 [0,0,0,1,1,0|2,0,0]=4 112 B11R2.36 C[C@H]1CN2N=CC=C2CN1 CS-0046385 [0,0,0,1,1,0|2,0,0]=4 113 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 CS-0053437 [0,0,0,1,0,1|1,0,0]=3 114 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 CS-0102222 [0,0,0,1,0,1|1,0,1]=4 115 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CS-0067386 [0,0,0,1,0,1|1,0,1]=4 116 B13R2.57 OCC1CC2=C(C=CC=C2)CN1 CS-0104994 [0,0,0,1,0,1|2,0,0]=4 117 B13R2.15 O[C@H]1CNC[C@@H]1C2=CC=CC=C2 CS-0047749 [0,1,0,1,0,0|1,0,0]=3 118 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 CS-0052597 [0,1,0,1,0,0|2,0,0]=4 119 B13R2.64 C1=CC=C(NC2CCCC2)C=C1 CS-0037210 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.64 C1=CN=C(C[C@@H]2CCNC2)C=C1 CS-0101531 [0,1,0,1,0,0|1,0,0]=3 121 B13R2.64 C1=CN=C(C[C@H]2CCNC2)C=C1 CS-0101530 [0,1,0,1,0,0|1,0,0]=3 122 B13R2.221 NC1(CC2=CC=CC=C2)COC1 CS-0051513 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.221 NC1(CC2=CC=CC=C2)COC1 CS-0051514 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.221 OC1(CC2=CC=CC=C2)CNC1 CS-0057017 [0,1,0,1,0,0|1,0,0]=3 125 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CS-0058719 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CS-0058721 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CS-0053575 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CS-0053583 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 CS-0060857 [0,1,0,1,0,0|1,0,0]=3 130 B13R2.3028 CN1C(=O)CC2=CC=C(N)C=C21 CS-0050350 [0,1,0,1,0,0|1,0,1]=4 131 B13R2.3683 CC1CC2=C(C=C(Br)C=C2)CN1 CS-0050083 [0,1,0,1,0,0|0,0,0]=2 132 B13R2.155 CN1CCC2=CC=C(N)C=C2C1 CS-0051887 [0,1,0,1,0,0|2,0,0]=4 133 B13R2.155 O=C1CC2=C(C=CC(O)=C2)CN1 CS-0080683 [0,1,0,1,0,0|1,0,1]=4 134 B13R2.4856 CN1C(=O)CC2=C1C(Br)=CC=C2 CS-0055871 [0,1,0,1,0,0|1,0,1]=4 135 B13R2.5179 O=C1CC2=C(CN1)C(Br)=CC=C2 CS-0062216 [0,1,0,1,0,0|1,0,1]=4 136 B13R2.101 C#CC1(CC2=CC=CC=C2)CC1 CS-0053081 [0,1,0,1,0,0|1,0,1]=4 137 B13R2.103 NC1(CO)CC2=C(C=CC=C2)C1 CS-0089898 [0,1,0,1,0,0|2,0,0]=4 138 B13R2.4825 CC1CC2=C(C=CC=C2Cl)C1=O CS-0100703 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.6 CC(N)C1=CN=NC=C1 CS-0053746 [1,0,0,0,1,0|2,0,0]=4 140 B9R1.6 CC(O)C1=CC=CN=C1 CS-0036932 [1,0,0,0,1,0|2,0,0]=4 141 B9R1.6 CN(C)C1=NC=CC=C1 CS-0112703 [1,0,0,0,1,0|2,0,0]=4 142 B9R1.6 CN(N)C1=CC=CN=C1 CS-0089162 [1,0,0,0,1,0|2,0,0]=4 143 B9R1.6 C[C@H](O)C1=NC=CC=C1 CS-0112596 [1,0,0,0,1,0|2,0,0]=4 144 B9R1.13 C[C@@H](N)CC1=CC=CS1 CS-0100790 [1,0,0,0,1,0|1,0,0]=3 145 B9R1.13 C[C@H](N)CC1=CC=CS1 CS-0100791 [1,0,0,0,1,0|1,0,0]=3