0 B8R1.8 CCCC1=NC=CN1 AC-8724 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.8 CCCN1C=NC=N1 AC-14376 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CCNC1=CC=CS1 AC-2681 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 CCSC1=NN=NN1 AC-8306 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.8 CNCC1=CC=CS1 AC-2658 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 N#CCC1=CC=CS1 AC-2494 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 NCCC1=CC=CS1 AC-6275 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 NCCC1=CNC=N1 AC-13185 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 NCCC1=CNC=N1 AC-24100 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 NCCC1=CNC=N1 AC-7507 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 O=C=NC1=NC=CS1 AC-5190 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.8 OCCC1=CC=CS1 AC-6274 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 BrCC1=NC=CN1 AC-25722 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.1 CCC1=CC=CS1 AC-16553 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.1 CCC1=CNC=C1 AC-13937 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 CCC1=CSC=C1 AC-4944 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 CCC1=NC=CN1 AC-8726 [1,0,0,0,0,0|1,0,0]=2 17 B7R1.1 CCN1C=NC=N1 AC-14375 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 COC1=CC=CS1 AC-4909 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.1 COC1=CSC=C1 AC-4908 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 ClCC1=CNC=N1 AC-27295 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 ClCC1=CSC=N1 AC-37186 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 ClCC1=NC=CO1 AC-30982 [1,0,0,0,0,0|1,1,0]=3 23 B7R1.1 N#CC1=NC=CO1 AC-30983 [1,0,0,0,0,0|1,1,1]=4 24 B7R1.1 N#CC1=NC=CS1 AC-23466 [1,0,0,0,0,0|1,0,1]=3 25 B7R1.1 NCC1=CC=CS1 AC-15711 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 NCC1=NC=CS1 AC-7310 [1,0,0,0,0,0|1,0,0]=2 27 B7R1.1 NCC1=NC=NN1 AC-13685 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 NCC1=NNC=C1 AC-6390 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 O=CC1=CC=CS1 AC-4923 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 O=CC1=NC=CN1 AC-6503 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.1 O=CC1=NC=CS1 AC-33308 [1,0,0,0,0,0|1,0,1]=3 32 B7R1.1 OCC1=CN=CS1 AC-7854 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 OCC1=CNC=N1 AC-23132 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 OCC1=CNC=N1 AC-2889 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 OCC1=CSC=N1 AC-7853 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.1 OCC1=NC=CN1 AC-17832 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 OCC1=NC=CS1 AC-26524 [1,0,0,0,0,0|1,0,0]=2 38 B7R1.1 OCC1=NNC=C1 AC-23069 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.7 CCOC1=NC(Br)=CS1 AC-25740 [0,1,0,0,0,0|0,0,0]=1 40 B9R1.7 CCOC1=NOC(C)=C1 AC-27125 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.7 NCCC1=CC(Br)=CS1 AC-29907 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.7 NCCC1=CC=C(Br)S1 AC-29942 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.11 CCC(=O)C1=CC=CS1 AC-15717 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.11 COC(=O)C1=NC=CS1 AC-23495 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.12 C=NCCC1=CC=CS1 AC-8967 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.12 CCCCC1=NC=CN1 AC-8720 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.12 OCCCC1=CNC=N1 AC-25678 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.7 CCOC(=O)CC=O AC-5296 [0,0,1,0,0,0|2,1,0]=4 49 B9R2.2 C1=NC(C2CC2)=CS1 AC-30445 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.8 BrCCC1=NC=CC=C1 AC-20552 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.8 BrCCC1=NC=CC=C1 AC-34188 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.8 CCCC1=CC=NC=C1 AC-18478 [0,0,0,0,0,1|3,0,0]=4 53 B9R1.8 CCOC1=NC=CC=C1 AC-23102 [0,0,0,0,0,1|1,0,0]=2 54 B9R1.8 CCOC1=NC=CN=C1 AC-16589 [0,0,0,0,0,1|1,0,0]=2 55 B9R1.8 CNCC1=CC=CN=C1 AC-2640 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.8 ClCCC1=NC=CC=C1 AC-20553 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.8 NCCC1=CC=CC=N1 AC-15573 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.8 NCCC1=CC=CN=C1 AC-6717 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.8 OCCC1=NC=CC=C1 AC-4672 [0,0,0,0,0,1|3,0,0]=4 60 B6R1.2 BrC1=CC=CS1 AC-194 [2,0,0,0,0,0|2,0,0]=4 61 B6R1.2 BrC1=NC=CN1 AC-28883 [2,0,0,0,0,0|2,0,0]=4 62 B6R1.2 BrC1=NC=NS1 AC-33815 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 BrC1=NN=CS1 AC-25738 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 CC1=CC=CS1 AC-16543 [2,0,0,0,0,0|1,0,0]=3 65 B6R1.2 CC1=CNC=N1 AC-4534 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 CC1=NNC=C1 AC-2646 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 CC1=NNC=N1 AC-25500 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 CN1C=CC=N1 AC-4832 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 ClC1=CC=CS1 AC-4913 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 ClC1=NC=CS1 AC-26533 [2,0,0,0,0,0|1,0,0]=3 71 B6R1.2 ClC1=NC=NS1 AC-33810 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 FC1=CC=CS1 AC-1048 [2,0,0,0,0,0|2,0,0]=4 73 B6R1.2 FC1=NC=CN1 AC-28873 [2,0,0,0,0,0|2,0,0]=4 74 B6R1.2 IC1=CC=CS1 AC-4904 [2,0,0,0,0,0|2,0,0]=4 75 B6R1.2 IC1=NC=CN1 AC-1054 [2,0,0,0,0,0|2,0,0]=4 76 B6R1.2 NC1=NC=CN1 AC-051 [2,0,0,0,0,0|2,0,0]=4 77 B6R1.2 NC1=NC=CN1 AC-864 [2,0,0,0,0,0|2,0,0]=4 78 B6R1.2 NC1=NC=CO1 AC-064 [2,0,0,0,0,0|1,1,0]=4 79 B6R1.2 NC1=NC=NS1 AC-25690 [2,0,0,0,0,0|2,0,0]=4 80 B6R1.2 NC1=NN=CS1 AC-25689 [2,0,0,0,0,0|2,0,0]=4 81 B6R1.2 SC1=NN=CS1 AC-5580 [2,0,0,0,0,0|1,1,0]=4 82 B8R1.1 CC1=CN=C(C=O)S1 AC-27892 [1,1,0,0,0,0|1,0,1]=4 83 B8R1.1 CCC1=CN=C(N)S1 AC-33835 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.1 CCC1=CNC(C)=N1 AC-6186 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.1 CCC1=NC(C)=CN1 AC-11832 [1,1,0,0,0,0|1,0,0]=3 86 B8R1.1 CCN1C=C(Br)C=N1 AC-31241 [1,1,0,0,0,0|2,0,0]=4 87 B8R1.1 COC1=NC(Br)=CS1 AC-25739 [1,1,0,0,0,0|0,0,0]=2 88 B8R1.1 ClCC1=CC=C(Cl)S1 AC-9504 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.1 O=CC1=NC(Br)=CS1 AC-25737 [1,1,0,0,0,0|1,0,1]=4 90 B8R1.1 OCC1=CC=C(Br)S1 AC-28054 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.7 CC(=O)C1=CC=CS1 AC-4918 [1,1,0,0,0,0|1,0,1]=4 92 B8R1.7 CC(=O)C1=NC=CO1 AC-30984 [1,1,0,0,0,0|0,1,1]=4 93 B8R1.7 CC(=O)C1=NC=CS1 AC-3209 [1,1,0,0,0,0|0,0,1]=3 94 B8R1.7 CC(C)C1=NC=CN1 AC-8721 [1,1,0,0,0,0|1,0,0]=3 95 B8R1.7 C[C@@H](N)C1=NC=CS1 AC-29371 [1,1,0,0,0,0|0,0,0]=2 96 B8R1.7 C[C@H](N)C1=NC=CS1 AC-29372 [1,1,0,0,0,0|0,0,0]=2 97 B8R1.7 N=C(N)C1=NC=CS1 AC-23494 [1,1,0,0,0,0|1,0,1]=4 98 B8R1.7 O=C(O)C1=NC=CS1 AC-22744 [1,1,0,0,0,0|1,0,1]=4 99 B8R1.11 CN1C=CN=C1CCl AC-28879 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.11 CN1C=CN=C1CCl AC-28885 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.11 CN1C=CN=C1CO AC-2915 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 CCOC1=CC=C(Br)C=N1 AC-5974 [0,1,0,0,0,1|1,0,0]=3 103 B10R1.1 CCOC1=NC=C(I)C=C1 AC-27516 [0,1,0,0,0,1|1,0,0]=3 104 B10R1.1 CCOC1=NC=C(N)C=C1 AC-19926 [0,1,0,0,0,1|1,0,0]=3 105 B10R1.1 CCOC1=NC=C(N)C=C1 AC-23894 [0,1,0,0,0,1|1,0,0]=3 106 B10R1.4 CCOC1=NC=CC=C1Br AC-33439 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.4 CCOC1=NC=CC=C1I AC-33270 [0,1,0,0,0,1|1,0,0]=3 108 B10R1.4 CCOC1=NC=CN=C1C AC-11167 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.10 CCCC1=CC(Cl)=CC=N1 AC-20597 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.10 CCOC1=CC(C)=NC=N1 AC-26615 [0,1,0,0,0,1|1,0,0]=3 111 B10R1.10 CCOC1=CC(N)=CC=N1 AC-9392 [0,1,0,0,0,1|1,0,0]=3 112 B10R1.10 CCOC1=CC(N)=CN=C1 AC-29763 [0,1,0,0,0,1|1,0,0]=3 113 B10R1.10 CCOC1=CC=CC(N)=N1 AC-13283 [0,1,0,0,0,1|1,0,0]=3 114 B10R1.10 CCOC1=CC=NC(N)=C1 AC-409 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.10 CCOC1=NC(Cl)=NC=C1 AC-26606 [0,1,0,0,0,1|1,0,0]=3 116 B10R1.15 CCC(=O)C1=CC=CN=C1 AC-15148 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.17 BrCCOC1=CC=CC=C1 AC-1946 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.17 CCCCC1=CC=CN=C1 AC-7560 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.17 CCCCC1=NC=CC=C1 AC-7561 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.17 CCNCC1=CC=CN=C1 AC-7360 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.17 CNCCC1=CC=CC=N1 AC-23916 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.17 ClCCOC1=CC=CC=C1 AC-15744 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.17 NCCOC1=CC=CC=C1 AC-15743 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.17 NCCOC1=NC=CC=C1 AC-29360 [0,1,0,0,0,1|1,0,0]=3 125 B10R1.18 CC(C)CC1=NC=CN=C1 AC-16632 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.14 COC(=O)C1=NC(Br)=CS1 AC-31239 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.14 COC(=O)C1=NC(C)=CS1 AC-7672 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.94 CCOC1=NOC(C)=C1Br AC-27124 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.11 CCOC(=O)C1=CC=CN1 AC-1481 [0,2,0,0,0,0|1,0,1]=4 130 B10R1.11 CCOC(=O)C1=CC=CS1 AC-18071 [0,2,0,0,0,0|1,0,0]=3 131 B10R1.11 CCOC(=O)C1=CN=CS1 AC-7646 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.11 CCOC(=O)C1=CNC=N1 AC-6894 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.11 CCOC(=O)C1=COC=N1 AC-31000 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.11 CCOC(=O)C1=CSC=N1 AC-7538 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.11 CCOC(=O)C1=NC=CN1 AC-23221 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.11 CCOC(=O)C1=NC=CO1 AC-27280 [0,2,0,0,0,0|0,1,0]=3 137 B10R1.11 CCOC(=O)C1=NNC=C1 AC-6411 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.11 O=C(CCCl)C1=CC=CS1 AC-264 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.11 OC(CCCl)C1=CC=CS1 AC-13568 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.66 O=C(O)CCC1=NC=CS1 AC-6475 [0,2,0,0,0,0|1,0,1]=4 141 B10R2.7 C1=CC=C2OCCC2=C1 AC-7075 [0,0,0,1,0,1|2,0,0]=4 142 B10R2.7 C1=CN=C2CCCC2=C1 AC-2007 [0,0,0,1,0,1|2,0,0]=4 143 B10R2.7 C1=CN=C2NCCC2=C1 AC-7240 [0,0,0,1,0,1|2,0,0]=4 144 B10R2.32 O=C1CCN2C=CN=C12 AC-30778 [0,1,0,1,0,0|2,0,0]=4