0 B8R1.8 C(CCl)C1=NNN=N1 PI-10144 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 C1=C(NC=N1)CCN PI-44999 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.8 C1=C(NC=N1)CCO PI-31941 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.8 C1=CN(N=N1)CCO PI-19882 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 C=CCN1C=CN=C1 PI-31814 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.8 CCCC1=NC=CN1 PI-24452 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 CNCC1=CC=NO1 PI-48159 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 CSCC1=CC=CO1 PI-48491 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 ClCCC1=CNC=N1 PI-39992 [0,0,0,0,0,0|1,0,2]=3 9 B8R1.8 N#CCN1C=CN=C1 PI-42330 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.8 N#CCc1cccs1 PI-10786 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.8 N#CCc1cscc1 PI-35071 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.8 NCCc1cccs1 PI-11168 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.8 NCCc1nc[nH]c1 PI-27712 [0,0,0,0,0,0|0,0,2]=2 14 B8R1.8 NCCn1cncc1 PI-36110 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.8 OCCC1=CSC=C1 PI-42380 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 OCCc1cccs1 PI-11150 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 OCCn1cncc1 PI-20761 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 BrCc1cscc1 PI-14311 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 C1=C(N=CS1)CCl PI-11980 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.1 C1=C(N=CS1)CCl PI-48844 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 C1=C(NC=N1)C#N PI-40207 [1,0,0,0,0,0|0,0,2]=3 22 B7R1.1 C1=C(NC=N1)C=O PI-34783 [1,0,0,0,0,0|1,0,1]=3 23 B7R1.1 C1=C(NC=N1)CO PI-31940 [1,0,0,0,0,0|1,0,0]=2 24 B7R1.1 C1=C(SC=N1)CN PI-45069 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.1 C1=C(SC=N1)CN PI-45398 [1,0,0,0,0,0|1,0,0]=2 26 B7R1.1 C1=C(SC=N1)CO PI-12202 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 C1=COC(=C1)CS PI-48474 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 C1=CSC(=C1)CCl PI-50490 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 C1=CSC(=C1)CO PI-11151 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 C1=CSC(=N1)CN PI-45385 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.1 C1=CSC=C1CN PI-31789 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.1 C1=NN(C=N1)CCl PI-32972 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.1 C1=N[NH]C=C1CO PI-39407 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 CCC1=CC=CS1 PI-10993 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.1 CCC1=CSC=C1 PI-35073 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.1 CCN1C=CC=C1 PI-12065 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 CCc1ncc[nH]1 PI-31817 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.1 CCn1cccn1 PI-35920 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 CCn1cncn1 PI-37585 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.1 COc1cccs1 PI-33573 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 COc1cscc1 PI-27269 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 CSC1=CSC=C1 PI-29322 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CSc1nnn[nH]1 PI-31142 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 ClCc1nnn[nH]1 PI-10145 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 NCC1=CN=NN1 PI-36481 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.1 NCc1cccs1 PI-11152 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.1 O=Cc1cnco1 PI-38922 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 O=Cc1cncs1 PI-25019 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 OCC1=NC=CN1 PI-36879 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 OCc1c[nH]cn1 PI-27482 [1,0,0,0,0,0|1,0,2]=4 52 B7R1.1 OCc1cnco1 PI-38536 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 OCc1cscc1 PI-29874 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 OCc1cscn1 PI-25015 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.7 CCCc1[nH]cc(C)n1 PI-36286 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.11 NCC(c1ccco1)O PI-15941 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.12 CCCCC1=CC=CS1 PI-44597 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.12 CCCCC1=CSC=C1 PI-36456 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.12 CCCCC1=NC=CN1 PI-31818 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.12 NCCCn1cncc1 PI-32647 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.13 CC(N)CC1=CC=CS1 PI-40008 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.13 CC(N)Cc1ccco1 PI-36445 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.33 C(CO)N1C(=S)N=NN1 PI-31232 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.33 CCOc1ocnc1C PI-13057 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.33 CN1C=NC=C1N=C=O PI-26685 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.33 Cc1ncsc1CCCl PI-38383 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.33 Cc1ncsc1CCCl PI-40766 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.33 Cc1ncsc1CCO PI-15832 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [0,0,0,0,0,1|2,0,0]=3 71 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [0,0,0,0,0,1|3,0,0]=4 72 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [0,0,0,0,0,1|1,0,1]=3 76 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [0,0,0,0,0,1|1,0,1]=3 77 B9R1.8 C1CCC(=CC1)CCN PI-40143 [0,0,0,0,0,1|2,0,1]=4 78 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [0,0,0,0,0,1|2,0,1]=4 79 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [0,0,0,0,0,1|2,0,0]=3 80 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [0,0,0,0,0,1|3,0,0]=4 81 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [0,0,0,0,0,1|2,0,1]=4 82 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.8 N#CCc1cccnc1 PI-32834 [0,0,0,0,0,1|1,0,2]=4 84 B9R1.8 N#CCc1ccncc1 PI-10376 [0,0,0,0,0,1|1,0,2]=4 85 B9R1.8 NCCc1cccnc1 PI-23439 [0,0,0,0,0,1|1,0,0]=2 86 B9R1.8 NCCc1ccncc1 PI-15907 [0,0,0,0,0,1|1,0,0]=2 87 B9R1.8 NOCc1ccccc1 PI-11329 [0,0,0,0,0,1|3,0,0]=4 88 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [0,0,0,0,0,1|2,0,0]=3 89 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,1,0,0,0|2,0,0]=4 90 B6R1.2 C1=C(NN=C1)N PI-10514 [2,0,0,0,0,0|2,0,0]=4 91 B6R1.2 C1=C(ON=C1)N PI-34865 [2,0,0,0,0,0|2,0,0]=4 92 B6R1.2 C1=C(SC=N1)Br PI-45402 [2,0,0,0,0,0|2,0,0]=4 93 B6R1.2 C1=CN=C(N1)N PI-11170 [2,0,0,0,0,0|2,0,0]=4 94 B6R1.2 C1=CN=C(N1)N PI-45241 [2,0,0,0,0,0|2,0,0]=4 95 B6R1.2 C1=CN=C(N1)N PI-45281 [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 C1=NN(C=N1)N PI-11685 [2,0,0,0,0,0|1,0,1]=4 97 B6R1.2 C1=NNC(=N1)N PI-45748 [2,0,0,0,0,0|1,0,1]=4 98 B6R1.2 C1=NSC(=N1)N PI-31532 [2,0,0,0,0,0|1,0,1]=4 99 B6R1.2 CC1=CC=CS1 PI-11146 [2,0,0,0,0,0|2,0,0]=4 100 B6R1.2 CC1=CN=CN1 PI-44758 [2,0,0,0,0,0|0,0,0]=2 101 B6R1.2 CC1=COC=C1 PI-41011 [2,0,0,0,0,0|2,0,0]=4 102 B6R1.2 Cc1c[nH]nc1 PI-34810 [2,0,0,0,0,0|2,0,0]=4 103 B6R1.2 Cc1cncs1 PI-33497 [2,0,0,0,0,0|1,0,0]=3 104 B6R1.2 Cn1cncc1 PI-31809 [2,0,0,0,0,0|2,0,0]=4 105 B6R1.2 Cn1cncn1 PI-37321 [2,0,0,0,0,0|1,0,1]=4 106 B6R1.2 NC1=CN=CS1 PI-33967 [2,0,0,0,0,0|1,0,0]=3 107 B6R1.2 Nc1cnns1 PI-12021 [2,0,0,0,0,0|2,0,0]=4 108 B6R1.2 Nc1nncs1 PI-16257 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.1 CC1=CC=C(O1)CN PI-43985 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.1 CCC1=CC(=NO1)N PI-40978 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.1 CCC1=CN=C(S1)N PI-32196 [1,1,0,0,0,0|1,0,0]=3 112 B8R1.1 CCC1=NC=C(N1)C PI-31806 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.1 CCC1=NN=C(S1)N PI-17273 [1,1,0,0,0,0|2,0,0]=4 114 B8R1.1 ClCc1cnc(s1)Cl PI-11121 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.1 NCc1cnn(c1)C PI-35803 [1,1,0,0,0,0|2,0,0]=4 116 B8R1.1 OCC1=CN=C(Cl)S1 PI-46742 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [1,1,0,0,0,0|1,0,1]=4 118 B8R1.7 C1=C(NC=N1)[N+](=O)[O-] PI-31145 [1,1,0,0,0,0|2,0,0]=4 119 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,1,0,0,0,0|1,0,1]=4 120 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [1,1,0,0,0,0|0,0,1]=3 121 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [1,1,0,0,0,0|0,0,1]=3 122 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.7 CC(C)n1cncc1 PI-31687 [1,1,0,0,0,0|2,0,0]=4 124 B8R1.7 CC(C1=CC=CS1)O PI-12508 [1,1,0,0,0,0|2,0,0]=4 125 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [1,1,0,0,0,0|2,0,0]=4 126 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [1,1,0,0,0,0|2,0,0]=4 127 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [1,1,0,0,0,0|2,0,0]=4 128 B8R1.11 C1=CSC(=C1CN)Br PI-14463 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.11 C1=NC(=C(N1)CN)N PI-12518 [1,1,0,0,0,0|0,0,0]=2 130 B8R1.11 C1=NC(=C(S1)CO)Br PI-50058 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.11 CC1=C(CO)NC=N1 PI-11991 [1,1,0,0,0,0|1,0,0]=3 132 B8R1.11 CCC1=CC=CN1N PI-40301 [1,1,0,0,0,0|1,0,0]=3 133 B8R1.11 CCN1C(=S)N=NN1 PI-33522 [1,1,0,0,0,0|2,0,0]=4 134 B8R1.11 CN1C=NC=C1C=O PI-25534 [1,1,0,0,0,0|1,0,1]=4 135 B8R1.11 CN1N=CC=C1CC PI-39594 [1,1,0,0,0,0|2,0,0]=4 136 B8R1.11 NCC1=CC=NN1C PI-40532 [1,1,0,0,0,0|2,0,0]=4 137 B8R1.11 NCc1nccn1C PI-38209 [1,1,0,0,0,0|2,0,0]=4 138 B8R1.11 Nc1nc[nH]c1C#N PI-38325 [1,1,0,0,0,0|0,0,2]=4 139 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.1 CCCC1=CN=C(N=C1)Cl PI-20233 [0,1,0,0,0,1|1,0,1]=4 141 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.1 NCCc1ccc(cc1)N PI-10153 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.4 NCCc1ccccc1Br PI-39292 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.4 NCCc1ccccc1Cl PI-20209 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.4 NCCc1ccccc1F PI-38584 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [0,1,0,0,0,1|2,0,0]=4 152 B10R1.10 NCCc1cccc(c1)F PI-33071 [0,1,0,0,0,1|2,0,0]=4 153 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,1,0,0,0,1|2,0,0]=4 154 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,1,0,0,0,1|2,0,0]=4 155 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,1,0,0,0,1|2,0,0]=4 157 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,1,0,0,0,1|2,0,0]=4 158 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [0,1,0,0,0,1|2,0,0]=4 159 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [0,1,0,0,0,1|2,0,0]=4 160 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [0,1,0,0,0,1|1,0,1]=4 161 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [0,1,0,0,0,1|1,0,1]=4 162 B10R1.17 CNCCc1ccncc1 PI-12002 [0,1,0,0,0,1|1,0,0]=3 163 B10R1.17 NCCCc1ccccc1 PI-11351 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.17 OCCCc1ccncc1 PI-31736 [0,1,0,0,0,1|2,0,0]=4 165 B10R1.11 CCOC(=O)C1=CN=CN1 PI-45041 [0,2,0,0,0,0|1,0,1]=4 166 B10R1.21 C1=COC(=C1)CSCCN PI-17187 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.29 CC1=NC=CN1CCCN PI-45230 [0,2,0,0,0,0|2,0,0]=4 168 B8R1.2 NCC1=CC=NC=C1 PI-41875 [0,0,1,1,0,0|1,0,1]=4 169 B8R1.2 NCc1cccnc1 PI-15236 [0,0,1,1,0,0|1,0,1]=4 170 B8R1.2 NCc1ccncc1 PI-31790 [0,0,1,1,0,0|1,0,1]=4 171 B8R1.5 Nc1cccnc1N PI-10159 [0,0,1,1,0,0|0,0,2]=4 172 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [0,0,0,1,0,1|2,0,0]=4 173 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [0,0,0,1,0,1|2,0,0]=4