0 B8R1.3 CC1=CN=C(Br)C=N1 CS-0051991 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 CC1=CN=C(O)N=C1 CS-0061359 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.3 CC1=CNC(=O)N=C1 CS-0021071 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.3 CC1=CNC(=S)N=C1 CS-0078742 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.3 CC1=NC=C(N)C=N1 CS-W018646 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 CC1=NN=C(I)C=C1 CS-0051306 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.3 CC1=NN=C(O)C=C1 CS-0050159 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 N=C1C=CC(I)=NN1 CS-0036260 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.3 N=C1C=CC(O)=CN1 CS-W006181 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.3 NC1=CN=C(I)N=C1 CS-0101958 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.3 O=C1N=CC(Br)=CN1 CS-0050666 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.3 OC1=CC=C(I)N=C1 CS-0112297 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.3 S=C1N=CC(Br)=CN1 CS-0079024 [0,0,0,0,0,0|3,1,0]=4 13 B7R1.3 BrC1=CC=NN=C1 CS-0014829 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.3 BrC1=CC=NN=C1 CS-B0657 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 CC1=NN=CC=C1 CS-W007709 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 ClC1=CC=NN=C1 CS-0005644 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 ClC1=CC=NN=C1 CS-0030097 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 NC1=CN=CN=C1 CS-D0764 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 O=C1C=COC=C1 CS-0108723 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.1 BrCC1=NC=C(Br)C=C1 CS-0067827 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.1 C#CC1=CN=C(Br)C=C1 CS-0059696 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.1 C=CC1=CC=C(Cl)C=N1 CS-0050535 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.1 C=CC1=CC=C(N)C=C1 CS-0106396 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.1 C=CC1=CN=C(F)C=C1 CS-0050498 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 CC1=CC=C(NN)C=C1 CS-0110658 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.1 CC1=CN=C(CO)C=C1 CS-0014708 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.1 CC1=CN=C(CO)N=C1 CS-0036018 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.1 CCC1=CC=C(O)C=N1 CS-0105436 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.1 COC1=CN=C(C)C=C1 CS-0082371 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.1 COC1=CN=C(I)C=C1 CS-0082378 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.1 COC1=CN=C(I)C=N1 CS-0092093 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.1 COC1=CNC(=O)C=C1 CS-0096327 [0,1,0,0,0,0|1,0,1]=3 33 B9R1.1 CSC1=CC=C(Br)C=C1 CS-W015471 [0,1,0,0,0,0|1,1,0]=3 34 B9R1.1 CSC1=CC=C(N)C=N1 CS-0077370 [0,1,0,0,0,0|2,1,0]=4 35 B9R1.1 FC1=NC=C(CCl)C=C1 CS-0050760 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.1 FCC1=CC=C(Br)C=N1 CS-0087943 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.1 N#CC1=CC=C(I)C=C1 CS-W009114 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.1 N#CC1=CC=C(I)N=C1 CS-0082403 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.1 N#CC1=NC=C(N)C=C1 CS-W016585 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.1 NC1=CC=C(C=O)C=C1 CS-0112994 [0,1,0,0,0,0|1,0,1]=3 41 B9R1.1 NC1=CC=C(CO)N=C1 CS-0105951 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 NC1=CC=C(CO)N=C1 CS-0112973 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 NC1=CN=C(C=O)C=C1 CS-0112970 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.1 NCC1=CC=C(Br)C=N1 CS-0035445 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 NCC1=CN=C(N)C=C1 CS-0112248 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.1 NCC1=CNC(=O)C=C1 CS-0084863 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.1 NCC1=NC=C(Cl)C=C1 CS-0112874 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.1 NCC1=NC=C(Cl)C=C1 CS-0113025 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 NCC1=NC=C(Cl)C=C1 CS-0113075 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.1 NCC1=NC=C(F)C=C1 CS-0112635 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 N\N=C1\C=CC(F)=CN1 CS-0018939 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 OCC1=CN=C(Br)N=C1 CS-0101952 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 OCC1=NC=C(Br)C=N1 CS-W018658 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 OCC1=NC=C(F)C=N1 CS-0053146 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 OCC1=NC=C(O)C=C1 CS-W007140 [0,1,0,0,0,0|1,0,0]=2 56 B9R1.1 OCC1=NN=C(Cl)C=C1 CS-0053132 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.69 BrC1=CC=C(I)C(Br)=C1 CS-0103698 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.69 CC1=C(Cl)N=CC(N)=C1 CS-0007524 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.69 CC1=CC(C)=NC=C1Br CS-W022304 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.69 CC1=CC(C)=NC=C1N CS-W004883 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.69 CC1=CC(I)=CN=C1Cl CS-0112990 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.69 CC1=CC(O)=NN=C1O CS-0050804 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.69 CC1=CC=C(Cl)N=C1Br CS-0112932 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.69 CC1=CC=C(Cl)N=C1C CS-0061331 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.69 CC1=CC=C(N)C(=O)N1 CS-0096319 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.69 CC1=CC=C(O)C(Cl)=N1 CS-0019163 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.69 CC1=CC=C(O)C(F)=N1 CS-0088329 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.69 CC1=CN=C(C)C(N)=C1 CS-0054177 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.69 CC1=CN=C(I)C(C)=C1 CS-0036386 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.69 CC1=CN=C(N)C(C)=C1 CS-0005571 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.69 CC1=CNC(=O)C(C)=C1 CS-0100677 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.69 CC1=NC(N)=C(F)C=C1 CS-0061368 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.69 CC1=NC=C(Br)C(Cl)=C1 CS-0034109 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.69 CC1=NC=C(Br)C=C1O CS-W022314 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.69 CC1=NC=C(Cl)C(F)=C1 CS-0022003 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.69 CC1=NC=C(O)C(C)=N1 CS-W005733 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.69 CC1=NC=C(O)C=C1Br CS-0050571 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.69 CN1C=C(I)C=CC1=O CS-0102227 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.69 CN1C=C(N)C=CC1=O CS-0050695 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.69 CN1C=C(N)C=CC1=O CS-W006083 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.69 CN1C=C(O)C=CC1=O CS-0050460 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.69 CN1C=CC(I)=CC1=O CS-0035686 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.69 CN1C=CC(N)=CC1=O CS-0046230 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.69 CN1C=CC(N)=CC1=O CS-W005553 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.69 ClC1=C(Br)C=C(Br)C=C1 CS-0036747 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.69 ClC1=CC(Br)=C(Br)C=C1 CS-0060345 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.69 ClC1=CC(Br)=NC=C1Br CS-0092841 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.69 ClC1=NC(Br)=CC=C1Br CS-0092851 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.69 FC1=CC(Cl)=C(S)C=C1 CS-0037011 [0,1,0,0,0,0|1,1,0]=3 90 B9R1.69 FC1=CC(Cl)=NC=C1I CS-0051966 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.69 FC1=CC(S)=CC=C1Br CS-0045092 [0,1,0,0,0,0|1,1,0]=3 92 B9R1.69 FC1=CC=C(Cl)C(F)=C1 CS-0110151 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.69 FC1=CC=C(Cl)C=C1I CS-0108683 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.69 FC1=CC=C(F)C(F)=N1 CS-0055721 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.69 FC1=CN=C(Br)C(F)=C1 CS-W005459 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.69 FC1=CN=C(F)C=C1Br CS-0060143 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.69 FC1=NC(Cl)=CC=C1Cl CS-0100912 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.69 FC1=NC(F)=C(I)C=C1 CS-0036467 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.69 N=C1C=C(Cl)C(Cl)=CN1 CS-W006380 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.69 N=C1C=CC(Cl)=C(Cl)N1 CS-0060439 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.69 NC1=C(F)C=NC(Br)=C1 CS-0051996 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.69 NC1=C(F)N=CC(Br)=C1 CS-W015859 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.69 NC1=C(N)C=C(Cl)N=C1 CS-0077372 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.69 NC1=C(N)N=CC(F)=C1 CS-0039113 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.69 NC1=CC(Br)=CC=C1S CS-0007656 [0,1,0,0,0,0|1,1,0]=3 106 B9R1.69 NC1=CC(F)=CN=C1Cl CS-0005591 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.69 NC1=CC(F)=NC=C1Br CS-0050619 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.69 NC1=CC(I)=C(F)C=N1 CS-0050477 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.69 NC1=CC(N)=C(Br)C=C1 CS-0036080 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.69 NC1=CC(O)=CC=C1Br CS-B0717 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.69 NC1=CC=C(Cl)C=C1S CS-0096240 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.69 NC1=CC=C(F)N=C1F CS-0091201 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.69 NC1=CC=C(I)C(Br)=C1 CS-0088152 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.69 NC1=CC=C(I)C(N)=N1 CS-0035669 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.69 NC1=CC=C(I)N=C1Cl CS-0092082 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.69 NC1=CC=C(S)C=C1N CS-0110851 [0,1,0,0,0,0|1,1,0]=3 117 B9R1.69 NC1=CN=C(Cl)C(N)=C1 CS-0078619 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.69 NC1=CN=C(F)C(Br)=C1 CS-0092064 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.69 NC1=CN=C(F)C=C1N CS-0060144 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.69 NC1=CNC(=O)C(Br)=C1 CS-0083216 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.69 NC1=NC(Cl)=C(F)C=C1 CS-0107100 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.69 NC1=NC(Cl)=CC=C1O CS-0096478 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.69 NC1=NC=C(F)C=C1F CS-0059236 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 O=C1C=CC(Br)=C(Br)N1 CS-0100915 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.69 O=C1NC(Br)=CC=C1Br CS-0093770 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 O=C1NC=C(Cl)C=C1Cl CS-0091256 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.69 O=C1NC=C(Cl)C=C1O CS-W018246 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.69 OC1=C(F)C=C(Cl)C=C1 CS-W007711 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.69 OC1=C(F)C=C(F)C=N1 CS-0060274 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.69 OC1=C(F)N=CC(Cl)=C1 CS-0060277 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.69 OC1=C(I)N=CC(Br)=C1 CS-0037912 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.69 OC1=C(O)C=C(F)C=C1 CS-0060354 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.69 OC1=CC(Br)=CN=C1Br CS-0092870 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.69 OC1=CC(Br)=NC=C1Br CS-0092872 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.69 OC1=CC(Cl)=C(F)C=C1 CS-W007874 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.69 OC1=CC(Cl)=NC=C1I CS-0051947 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.69 OC1=CC=C(F)N=C1F CS-0091198 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.69 OC1=CC=C(F)N=C1I CS-0088333 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.69 OC1=CC=C(O)C(Br)=C1 CS-0110770 [0,1,0,0,0,0|0,0,0]=1 140 B9R1.69 OC1=CN=C(Cl)C=C1I CS-0036225 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.69 OC1=NC=C(Cl)C(I)=C1 CS-0060147 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.69 OC1=NC=C(F)C=C1I CS-0088332 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.2 BrC1=CC=C(Br)O1 CS-B1185 [0,0,0,0,1,0|3,0,0]=4 144 B7R1.2 NC1=CSC(Cl)=C1 CS-0050505 [0,0,0,0,1,0|3,0,0]=4 145 B7R1.2 O=C1C=C[C@H](O)C1 CS-0113091 [0,0,0,0,1,0|0,0,3]=4 146 B7R1.2 O=C1NC(O)=CS1 CS-0067343 [0,0,0,0,1,0|2,0,1]=4 147 B8R0.9 C\C=C(C)\C=C\C(=O)O CS-0035764 [0,1,1,0,0,0|1,0,1]=4 148 B8R1.2 COC1=CC=NC=N1 CS-0082288 [1,1,0,0,0,0|2,0,0]=4 149 B8R1.2 FCC1=CC=NC=C1 CS-0084824 [1,1,0,0,0,0|2,0,0]=4 150 B8R1.2 N#CC1=NC=CC=C1 CS-W020084 [1,1,0,0,0,0|2,0,0]=4 151 B8R1.2 NCC1=CC=CC=C1 CS-0005944 [1,1,0,0,0,0|1,0,0]=3 152 B8R1.2 NNC1=CC=CN=C1 CS-0022347 [1,1,0,0,0,0|2,0,0]=4 153 B8R1.2 OCC1=CC=NN=C1 CS-0053747 [1,1,0,0,0,0|2,0,0]=4 154 B8R1.4 BrC1=CC(I)=NC=C1 CS-0108748 [1,1,0,0,0,0|2,0,0]=4 155 B8R1.4 BrC1=CC=CC(Br)=C1 CS-W008980 [1,1,0,0,0,0|1,0,0]=3 156 B8R1.4 CC1=CC(O)=NC=N1 CS-0047569 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.4 CC1=CN=CC(I)=C1 CS-0101965 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.4 CC1=NC(O)=NC=C1 CS-0037723 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.4 IC1=CC=CC(I)=N1 CS-0091190 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.4 IC1=CN=CC(I)=C1 CS-0051599 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.4 N=C1C=C(Br)C=CN1 CS-0036116 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.4 NC1=CC(=O)NC=C1 CS-0058663 [1,1,0,0,0,0|1,0,1]=4 163 B8R1.4 NC1=CC(N)=NC=C1 CS-W008887 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.4 O=C1C=CC=C(I)N1 CS-0101957 [1,1,0,0,0,0|1,0,1]=4 165 B8R1.4 OC1=CC(I)=CN=C1 CS-0081786 [1,1,0,0,0,0|1,0,0]=3 166 B8R1.5 BrC1=C(I)N=CC=C1 CS-0060370 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.5 CC1=C(I)N=CC=C1 CS-0061210 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.5 CC1=CN=CC=C1Cl CS-0061361 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.5 CC1=CN=CN=C1O CS-W022195 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.5 FC1=CC=CC=C1S CS-0040417 [1,1,0,0,0,0|0,1,0]=3 171 B8R1.5 NC1=CN=CC=C1I CS-W007755 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.5 O=C1C=COC=C1O CS-D1527 [1,1,0,0,0,0|1,0,0]=3 173 B8R1.5 OC1=C(I)C=CC=N1 CS-0060372 [1,1,0,0,0,0|1,0,0]=3 174 B8R1.5 OC1=C(S)C=CC=C1 CS-0010969 [1,1,0,0,0,0|0,0,0]=2 175 B8R1.5 OC1=CN=CC=C1Br CS-W006061 [1,1,0,0,0,0|1,0,0]=3 176 B8R1.1 OCC1=CC(F)=CS1 CS-0087940 [0,1,0,0,1,0|2,0,0]=4 177 B8R1.1 OCC1=CC=C(Br)O1 CS-0113161 [0,1,0,0,1,0|2,0,0]=4 178 B8R1.1 OCC1=CC=C(Cl)S1 CS-0053152 [0,1,0,0,1,0|2,0,0]=4 179 B8R1.1 OCC1=CC=C(F)O1 CS-0097124 [0,1,0,0,1,0|2,0,0]=4 180 B8R1.1 OCC1=CC=C(F)S1 CS-B1086 [0,1,0,0,1,0|2,0,0]=4 181 B10R1.1 BrC1=CC=C(CCI)C=C1 CS-0060220 [0,2,0,0,0,0|2,0,0]=4 182 B10R1.1 C#CCC1=CC=C(Cl)C=C1 CS-0094847 [0,2,0,0,0,0|2,0,0]=4 183 B10R1.1 CC1=CC=C(CC=O)C=C1 CS-0019984 [0,2,0,0,0,0|1,0,1]=4 184 B10R1.1 CCOC1=CC=C(Cl)C=N1 CS-0061649 [0,2,0,0,0,0|2,0,0]=4 185 B10R1.1 CCOC1=CC=C(O)C=N1 CS-0090994 [0,2,0,0,0,0|1,0,0]=3 186 B10R1.1 CCOC1=NC=C(F)C=C1 CS-0090644 [0,2,0,0,0,0|2,0,0]=4 187 B10R1.1 FC1=CC=C(CCBr)C=C1 CS-D1609 [0,2,0,0,0,0|2,0,0]=4 188 B10R1.1 NNCC1=CC=C(Br)C=C1 CS-0053038 [0,2,0,0,0,0|2,0,0]=4 189 B10R1.1 NNCC1=CC=C(Cl)C=C1 CS-0037878 [0,2,0,0,0,0|2,0,0]=4 190 B10R1.1 NNCC1=CC=C(F)C=C1 CS-0053037 [0,2,0,0,0,0|2,0,0]=4 191 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS-W019773 [0,2,0,0,0,0|1,0,1]=4 192 B10R1.1 OCCC1=CC=C(Br)C=N1 CS-0052265 [0,2,0,0,0,0|2,0,0]=4 193 B10R1.3 CCC1=CC=C(CBr)C=C1 CS-0061458 [0,2,0,0,0,0|2,0,0]=4 194 B10R1.3 COC1=CC=C(C#N)N=C1 CS-0038259 [0,2,0,0,0,0|2,0,0]=4 195 B10R1.3 COC1=CC=C(CN)C=N1 CS-0053129 [0,2,0,0,0,0|2,0,0]=4 196 B10R1.3 COC1=CC=C(NN)C=C1 CS-0099995 [0,2,0,0,0,0|1,0,0]=3 197 B10R1.3 COC1=NC=C(CO)C=N1 CS-0053524 [0,2,0,0,0,0|2,0,0]=4 198 B10R1.3 COC1=NN=C(CO)C=C1 CS-0056607 [0,2,0,0,0,0|2,0,0]=4 199 B10R1.3 O=CC1=NC=C(CO)C=C1 CS-0096298 [0,2,0,0,0,0|1,0,1]=4 200 B10R1.13 CC(C)C1=CC=C(S)C=C1 CS-0037685 [0,2,0,0,0,0|1,1,0]=4 201 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 CS-0109932 [0,2,0,0,0,0|1,0,0]=3 202 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-0037689 [0,2,0,0,0,0|1,0,0]=3 203 B10R1.13 C[C@@H](O)C1=NC=C(O)C=N1 CS-0059960 [0,2,0,0,0,0|2,0,0]=4 204 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-B0177 [0,2,0,0,0,0|1,0,0]=3 205 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS-0060230 [0,2,0,0,0,0|2,0,0]=4 206 B10R1.13 NC(=O)C1=NC=C(O)C=C1 CS-0050458 [0,2,0,0,0,0|1,0,1]=4 207 B10R1.13 O=C(O)C1=CC=C(S)C=C1 CS-W018038 [0,2,0,0,0,0|0,1,0]=3 208 B10R1.13 O=C1C=CC(C(=O)O)=CO1 CS-0001427 [0,2,0,0,0,0|1,0,1]=4 209 B10R1.25 C#CC1=CC=C(O)C=C1C CS-0069311 [0,2,0,0,0,0|1,0,0]=3 210 B10R1.25 CC1=CC=C(CO)C(N)=C1 CS-0100669 [0,2,0,0,0,0|1,0,0]=3 211 B10R1.25 CC1=NC(Cl)=C(CO)C=C1 CS-0061367 [0,2,0,0,0,0|2,0,0]=4 212 B10R1.25 CCC1=C(Br)C=C(N)C=C1 CS-0061446 [0,2,0,0,0,0|2,0,0]=4 213 B10R1.25 CNC1=C(Br)C=C(C)C=C1 CS-0061228 [0,2,0,0,0,0|2,0,0]=4 214 B10R1.25 COC1=C(Br)N=C(Br)C=C1 CS-0061892 [0,2,0,0,0,0|2,0,0]=4 215 B10R1.25 COC1=C(F)C=C(F)C=N1 CS-W016368 [0,2,0,0,0,0|2,0,0]=4 216 B10R1.25 COC1=C(F)N=C(Br)C=C1 CS-0061939 [0,2,0,0,0,0|2,0,0]=4 217 B10R1.25 COC1=C(O)C=C(C)C=N1 CS-0081679 [0,2,0,0,0,0|2,0,0]=4 218 B10R1.25 COC1=CC=C(C)N=C1Br CS-0092865 [0,2,0,0,0,0|2,0,0]=4 219 B10R1.25 COC1=CN=C(N)C=C1Cl CS-0050908 [0,2,0,0,0,0|2,0,0]=4 220 B10R1.25 COC1=NC=C(Br)C=C1O CS-0050617 [0,2,0,0,0,0|2,0,0]=4 221 B10R1.25 COC1=NC=C(C)C=C1I CS-0081718 [0,2,0,0,0,0|2,0,0]=4 222 B10R1.25 COC1=NC=C(C)C=C1N CS-0081682 [0,2,0,0,0,0|2,0,0]=4 223 B10R1.25 COC1=NC=C(F)C=C1I CS-0088306 [0,2,0,0,0,0|2,0,0]=4 224 B10R1.25 COC1=NC=C(F)C=C1O CS-0088343 [0,2,0,0,0,0|2,0,0]=4 225 B10R1.25 CSC1=CC=C(Cl)C=C1Br CS-0110185 [0,2,0,0,0,0|1,1,0]=4 226 B10R1.25 N#CC1=C(N)C=C(Br)C=C1 CS-W004831 [0,2,0,0,0,0|2,0,0]=4 227 B10R1.25 N#CC1=CC=C(Br)C=C1I CS-0089796 [0,2,0,0,0,0|2,0,0]=4 228 B10R1.25 N#CC1=CC=C(I)C=C1O CS-0108656 [0,2,0,0,0,0|2,0,0]=4 229 B10R1.25 N#CC1=CC=C(O)C=C1I CS-0108658 [0,2,0,0,0,0|1,0,0]=3 230 B10R1.25 N#CC1=CC=C(O)C=C1O CS-W018705 [0,2,0,0,0,0|1,0,0]=3 231 B10R1.25 NC1=CC(Br)=CN=C1CO CS-0053390 [0,2,0,0,0,0|2,0,0]=4 232 B10R1.25 NC1=CC(Cl)=CN=C1CO CS-0053389 [0,2,0,0,0,0|2,0,0]=4 233 B10R1.25 NC1=CC(Cl)=NC=C1CO CS-0037605 [0,2,0,0,0,0|2,0,0]=4 234 B10R1.25 NC1=CC=C(CO)C(O)=C1 CS-0103176 [0,2,0,0,0,0|1,0,0]=3 235 B10R1.25 NC1=NC(Cl)=CC=C1CO CS-0087881 [0,2,0,0,0,0|2,0,0]=4 236 B10R1.25 OCC1=C(Cl)N=C(Cl)C=C1 CS-0053536 [0,2,0,0,0,0|2,0,0]=4 237 B10R1.176 C#CC1=CC=C(N)C(F)=C1 CS-0112583 [0,2,0,0,0,0|2,0,0]=4 238 B10R1.176 CCC1=CC(Br)=C(O)C=C1 CS-0061450 [0,2,0,0,0,0|1,0,0]=3 239 B10R1.176 CCC1=CC=C(I)C(C)=C1 CS-0061456 [0,2,0,0,0,0|2,0,0]=4 240 B10R1.176 CCC1=CC=C(N)C(F)=C1 CS-0096294 [0,2,0,0,0,0|2,0,0]=4 241 B10R1.176 CN1C=C(CO)C=CC1=O CS-0050754 [0,2,0,0,0,0|1,0,1]=4 242 B10R1.176 CN1C=CC(CO)=CC1=O CS-0051150 [0,2,0,0,0,0|2,0,0]=4 243 B10R1.176 COC1=CC(Br)=C(Br)C=C1 CS-0106499 [0,2,0,0,0,0|1,0,0]=3 244 B10R1.176 COC1=CC(F)=C(N)N=C1 CS-0100834 [0,2,0,0,0,0|2,0,0]=4 245 B10R1.176 COC1=CC(N)=C(N)C=N1 CS-0112368 [0,2,0,0,0,0|2,0,0]=4 246 B10R1.176 COC1=CC=C(Br)C(Br)=N1 CS-0062011 [0,2,0,0,0,0|2,0,0]=4 247 B10R1.176 COC1=CC=C(Cl)C(N)=N1 CS-0092087 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.176 COC1=CC=C(N)C(N)=N1 CS-0082305 [0,2,0,0,0,0|2,0,0]=4 249 B10R1.176 COC1=CC=C(N)C(N)=N1 CS-0092829 [0,2,0,0,0,0|2,0,0]=4 250 B10R1.176 COC1=NC=C(Br)C(F)=C1 CS-0050584 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.176 COC1=NC=C(Br)C(N)=C1 CS-0050616 [0,2,0,0,0,0|2,0,0]=4 252 B10R1.176 CSC1=CC(F)=C(Br)C=C1 CS-0062037 [0,2,0,0,0,0|1,1,0]=4 253 B10R1.176 NC1=CC(CO)=CC=C1F CS-0111629 [0,2,0,0,0,0|1,0,0]=3 254 B10R1.176 OCC1=CC(F)=C(Br)C=C1 CS-W010488 [0,2,0,0,0,0|1,0,0]=3 255 B10R1.176 OCC1=NC=C(F)C(Br)=C1 CS-0069320 [0,2,0,0,0,0|2,0,0]=4 256 B10R1.22 CC1=C(Br)C(N)=CC(F)=C1 CS-0102220 [0,2,0,0,0,0|2,0,0]=4 257 B10R1.22 CC1=C(Br)C=C(F)C=C1Br CS-0059860 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.22 CC1=C(C)C(N)=CC(Br)=C1 CS-0061081 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.22 CC1=C(N)C=C(Br)C=C1N CS-0036902 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.22 CC1=CC(Br)=CC(Br)=C1N CS-0036156 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.22 CC1=CC(C)=C(N)C(C)=C1 CS-W007785 [0,2,0,0,0,0|2,0,0]=4 262 B10R1.22 CC1=CC(C)=C(N)C(N)=C1 CS-0099729 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 CS-0096301 [0,2,0,0,0,0|1,0,0]=3 264 B10R1.22 CC1=CC(C)=C(O)C(N)=C1 CS-0059243 [0,2,0,0,0,0|1,0,0]=3 265 B10R1.22 CC1=CC(Cl)=CC(C)=C1I CS-0035645 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.22 CC1=CC(F)=C(N)C(F)=C1 CS-0099913 [0,2,0,0,0,0|2,0,0]=4 267 B10R1.22 CC1=CC(F)=CC(Br)=C1F CS-0061259 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.22 CC1=CC(F)=CC(Br)=C1I CS-0112684 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.22 CC1=CC(I)=CC(I)=C1N CS-0035959 [0,2,0,0,0,0|2,0,0]=4 270 B10R1.22 CC1=CC(O)=C(C)C(O)=C1 CS-W013326 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.22 FC1=C(Br)C=C(Cl)C=C1Br CS-0060163 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.22 FC1=CC(Br)=CC(Cl)=C1Cl CS-0060177 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.22 FC1=CC(Br)=CC(Cl)=C1F CS-0060181 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.22 FC1=CC(Br)=CC(F)=C1Br CS-0038916 [0,2,0,0,0,0|2,0,0]=4 275 B10R1.22 FC1=CC(Cl)=C(Br)C(Br)=C1 CS-0112683 [0,2,0,0,0,0|2,0,0]=4 276 B10R1.22 FC1=CC(Cl)=C(Cl)C(Cl)=C1 CS-0060176 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.22 FC1=CC(Cl)=C(I)C(Cl)=C1 CS-0060182 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.22 NC1=C(Br)C=C(O)C=C1Br CS-0060165 [0,2,0,0,0,0|1,0,0]=3 279 B10R1.22 NC1=C(Cl)C=C(Cl)C=C1F CS-0036942 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.22 NC1=C(F)C=C(Cl)C=C1Br CS-0103699 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.22 NC1=CC(Br)=CC(F)=C1O CS-0112406 [0,2,0,0,0,0|1,0,0]=3 282 B10R1.22 NC1=CC(Cl)=C(Cl)C(Br)=C1 CS-0098996 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.22 NC1=CC(F)=C(O)C(F)=C1 CS-M2171 [0,2,0,0,0,0|1,0,0]=3 284 B10R1.22 NC1=CC(F)=CC(Cl)=C1N CS-0060184 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.22 OC1=C(Br)C=C(Br)N=C1F CS-0100932 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.22 OC1=CC(Br)=C(I)C(Br)=C1 CS-0104565 [0,2,0,0,0,0|1,0,0]=3 287 B10R1.22 OC1=CC(Br)=CC(F)=C1O CS-0060186 [0,2,0,0,0,0|1,0,0]=3 288 B10R1.22 OC1=CC(Cl)=C(Br)C(Cl)=C1 CS-0108465 [0,2,0,0,0,0|1,0,0]=3 289 B10R1.22 OC1=CC(Cl)=C(F)C(Br)=C1 CS-0095757 [0,2,0,0,0,0|1,0,0]=3 290 B10R1.30 C#CC1=CC(N)=CC=C1O CS-0101908 [0,2,0,0,0,0|1,0,0]=3 291 B10R1.30 CC1=CC=C(C)C(CN)=C1 CS-0099734 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.30 CC1=CC=C(Cl)C=C1C=O CS-0061327 [0,2,0,0,0,0|2,0,0]=4 293 B10R1.30 CCC1=C(O)C=CC(C)=N1 CS-0061447 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.30 CCC1=CC(Cl)=CC=C1N CS-0061452 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.30 COC1=CC(Cl)=CC=C1I CS-0059279 [0,2,0,0,0,0|2,0,0]=4 296 B10R1.30 COC1=CC(O)=CC=C1Cl CS-0043576 [0,2,0,0,0,0|1,0,0]=3 297 B10R1.30 CSC1=CC(Cl)=CC=C1Br CS-0110186 [0,2,0,0,0,0|2,0,0]=4 298 B10R1.30 CSC1=CC(F)=CC=C1Br CS-0084826 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.30 NC1=CC=C(Cl)C(CO)=C1 CS-0060202 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.30 NC1=CC=C(Cl)C=C1C=O CS-W007919 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.30 NC1=CC=C(I)C=C1C=O CS-0100668 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.30 NCC1=CC(Cl)=CC=C1Cl CS-0099747 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.30 NCC1=CC(N)=CC=C1F CS-0090675 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.30 O=CC1=CC(F)=CC=C1I CS-0038109 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.30 OC1=NC=C(F)C(CCl)=C1 CS-0036641 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.30 OCC1=CC(F)=CC=C1I CS-0037691 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.118 BrC1=CC(Br)=C(I)C=C1I CS-0044679 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.118 CC1=C(Br)C=C(I)C(N)=C1 CS-0051000 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.118 CC1=C(Br)C=C(N)C(O)=C1 CS-0096070 [0,2,0,0,0,0|1,0,0]=3 310 B10R1.118 CC1=C(Cl)C=C(Br)C(Br)=C1 CS-0089081 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.118 CC1=C(F)C=C(O)C(F)=C1 CS-0079234 [0,2,0,0,0,0|1,0,0]=3 312 B10R1.118 CC1=CC(Br)=C(Br)C=C1F CS-0036968 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.118 CC1=CC(C)=C(O)C=C1O CS-0104485 [0,2,0,0,0,0|1,0,0]=3 314 B10R1.118 CC1=CC(F)=C(Cl)C=C1N CS-0061250 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.118 CC1=CC(F)=C(F)C=C1O CS-0038118 [0,2,0,0,0,0|1,0,0]=3 316 B10R1.118 CC1=CC(I)=C(C)C=C1I CS-0061168 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.118 CC1=CC(I)=C(C)C=C1N CS-0108531 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.118 CC1=CC(N)=C(C)C=C1O CS-0038659 [0,2,0,0,0,0|1,0,0]=3 319 B10R1.118 CC1=CC(N)=C(Cl)C=C1C CS-0061243 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.118 CC1=CC(N)=C(N)C=C1Cl CS-0061246 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.118 CC1=CC(O)=C(Br)C=C1C CS-0061244 [0,2,0,0,0,0|1,0,0]=3 322 B10R1.118 FC1=C(Cl)C=C(Cl)C(Br)=C1 CS-0036607 [0,2,0,0,0,0|2,0,0]=4 323 B10R1.118 FC1=CC(F)=C(Cl)C=C1Br CS-0060127 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.118 FC1=CC(F)=C(Cl)C=C1Cl CS-0060128 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.118 NC1=CC(Cl)=C(I)C=C1N CS-0069273 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.118 NC1=CC(F)=C(I)C=C1F CS-0109536 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.118 NC1=CC(F)=C(N)C=C1F CS-0112837 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.118 NC1=CC(N)=C(Cl)C=C1Cl CS-0060129 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.118 NC1=CC(O)=C(Cl)C=C1Br CS-0060130 [0,2,0,0,0,0|1,0,0]=3 330 B10R1.118 OC1=CC(I)=C(O)C=C1I CS-0110741 [0,2,0,0,0,0|0,0,0]=2 331 B10R1.119 CC1=C(Br)C(C)=C(Br)C=C1 CS-0061133 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.119 CC1=C(Br)C(O)=C(F)C=C1 CS-0099981 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.119 CC1=C(C)C(F)=CC=C1N CS-0064357 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.119 CC1=C(C)C(F)=CC=C1O CS-0061161 [0,2,0,0,0,0|1,0,0]=3 335 B10R1.119 CC1=C(C)C(I)=CC=C1Br CS-0061160 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.119 CC1=C(Cl)C(Br)=CC=C1N CS-0106158 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.119 CC1=C(Cl)C(Cl)=C(Cl)C=C1 CS-0061134 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.119 CC1=C(F)C(Br)=CC=C1S CS-0035965 [0,2,0,0,0,0|1,1,0]=4 339 B10R1.119 CC1=C(N)C(C)=C(O)C=C1 CS-0107027 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.119 CC1=C(N)C(O)=CC=C1F CS-0094534 [0,2,0,0,0,0|1,0,0]=3 341 B10R1.119 CC1=C(N)C=CC(O)=C1C CS-0113006 [0,2,0,0,0,0|1,0,0]=3 342 B10R1.119 CC1=CC=C(N)C(N)=C1C CS-0099738 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.119 CC1=CC=C(O)C(Br)=C1F CS-0095708 [0,2,0,0,0,0|1,0,0]=3 344 B10R1.119 CC1=CC=C(O)C(C)=C1Br CS-0059847 [0,2,0,0,0,0|1,0,0]=3 345 B10R1.119 FC1=C(I)C=CC(I)=C1F CS-0060323 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.119 NC1=C(Cl)C(Br)=CC=C1Cl CS-0051487 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.119 NC1=C(F)C=CC(Br)=C1F CS-0107185 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.119 NC1=C(F)C=CC(I)=C1F CS-0107803 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.119 NC1=CC=C(Br)C(F)=C1N CS-0084798 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.119 NC1=CC=C(Cl)C(Cl)=C1I CS-B1164 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.119 NC1=CC=C(F)C(F)=C1I CS-0111950 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.119 OC1=C(Cl)C(Cl)=C(Br)C=C1 CS-0060312 [0,2,0,0,0,0|1,0,0]=3 353 B10R1.119 OC1=C(Cl)C=CC(Br)=C1F CS-0060314 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.119 OC1=C(F)C=CC(Br)=C1F CS-0106372 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.119 OC1=CC=C(Br)C(F)=C1Cl CS-0031433 [0,2,0,0,0,0|1,0,0]=3 356 B8R1.22 O=C1C=CC=CC=C1 CS-0088241 [0,0,1,1,0,0|1,0,1]=4 357 B6R1.2 NC1=CC=CN1 CS-0112997 [1,0,0,0,1,0|2,0,0]=4 358 B6R1.2 NC1=CSC=C1 CS-0096335 [1,0,0,0,1,0|2,0,0]=4 359 B6R1.2 ON1C=CC=N1 CS-0052531 [1,0,0,0,1,0|2,0,0]=4 360 B8R0.28 O=C(O)\C=C\CC(=O)O CS-0106651 [0,0,1,0,0,1|2,0,0]=4