0 B8R1.8 CCCC1=CC=CS1 P43744 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCC1=NC=CN1 P68616 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCCC1=NC=CS1 P43394 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.8 CNCC1=CC=CS1 M43398 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CNCC1=CSC=C1 M43396 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 COCN1C=CN=C1 M41195 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 ClCCN1C=CN=C1 C41131 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 N#CCC1=CC=CS1 T39260 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.8 N#CCC1=CN=CN1 I7680 [0,0,0,0,0,0|0,0,2]=2 9 B8R1.8 N#CCC1=CSC=C1 T12833 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.8 N#CCN1C=CN=C1 K40949 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.8 NCCC1=CC=CS1 T12818 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.8 NCCC1=CN=CS1 T41396 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.8 NCCC1=CSC=C1 T1049 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.8 NCCC1=CSC=C1 T10491 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.8 NCCC1=NC=CN1 K41400 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.8 NCCC1=NN=CS1 T11221 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.8 NCCC1=NN=CS1 T13923 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.8 NCCC1=NNN=N1 T62570 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.8 NCCN1C=CC=C1 P41427 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.8 NCCN1C=CN=C1 K41369 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.8 NCCN1C=CN=C1 K41399 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.8 NCCN1C=NC=N1 T60532 [0,0,0,0,0,0|1,0,1]=2 23 B8R1.8 NNCC1=CC=CS1 H13973 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.8 NNCC1=CSC=C1 H13972 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.8 OCCC1=CC=CS1 T12817 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.8 OCCC1=CN=CN1 K41362 [0,0,0,0,0,0|1,0,0]=1 27 B8R1.8 OCCC1=CNC=N1 I10449 [0,0,0,0,0,0|1,0,2]=3 28 B8R1.8 OCCC1=CNN=C1 P41192 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.8 OCCC1=CSC=C1 T12832 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.8 OCCN1C=CC=N1 P41188 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.8 OCCN1C=CN=C1 K41193 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.8 OCCN1C=CN=N1 T63143 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 BrCC1=CSC=C1 B60823 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.1 CCC1=NN=CO1 E37555 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 CCN1C=CN=N1 E40219 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 CCN1C=NC=N1 E40218 [1,0,0,0,0,0|1,0,1]=3 39 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 COC1=CNN=C1 M20056 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 ClCC1=CN=CS1 C32421 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.1 ClCC1=CNC=N1 C2088 [1,0,0,0,0,0|1,0,2]=4 45 B7R1.1 ClCC1=CSC=N1 C2334 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 N#CC1=CC=CN1 P0691 [1,0,0,0,0,0|1,0,2]=4 47 B7R1.1 N#CC1=CN=CS1 T39999 [1,0,0,0,0,0|1,0,2]=4 48 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 NCC1=CC=NO1 K40323 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,0,0|0,0,0]=1 52 B7R1.1 NCC1=CN=CO1 X11178 [1,0,0,0,0,0|1,0,0]=2 53 B7R1.1 NCC1=CN=CO1 X17340 [1,0,0,0,0,0|1,0,0]=2 54 B7R1.1 NCC1=CN=CS1 T11225 [1,0,0,0,0,0|1,0,0]=2 55 B7R1.1 NCC1=CN=CS1 T37607 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.1 NCC1=CN=CS1 T40190 [1,0,0,0,0,0|1,0,0]=2 57 B7R1.1 NCC1=CNC=C1 P26218 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.1 NCC1=CNC=N1 K40332 [1,0,0,0,0,0|0,0,2]=3 59 B7R1.1 NCC1=CNN=C1 A10475 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 NCC1=CNN=C1 P17334 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.1 NCC1=CNN=C1 P20267 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.1 NCC1=COC=N1 A40322 [1,0,0,0,0,0|1,0,1]=3 63 B7R1.1 NCC1=COC=N1 O7924 [1,0,0,0,0,0|1,0,1]=3 64 B7R1.1 NCC1=COC=N1 X11296 [1,0,0,0,0,0|1,0,1]=3 65 B7R1.1 NCC1=CON=C1 A14706 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 NCC1=CON=C1 I29534 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 NCC1=CSC=C1 T41357 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.1 NCC1=CSC=N1 T13924 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 NCC1=CSC=N1 T29521 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,0,0,0|2,0,1]=4 73 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 NCC1=NNC=C1 P9792 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.1 NCC1=NOC=C1 I29536 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.1 NCC1=NOC=C1 I7943 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 NCC1=NSC=C1 I15218 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,0,0,0|2,0,1]=4 82 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 OCC1=CC=NO1 K40159 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,0,0|1,0,0]=2 85 B7R1.1 OCC1=CN=CO1 X14033 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.1 OCC1=CN=CS1 T2166 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.1 OCC1=CNC=N1 H2067 [1,0,0,0,0,0|1,0,2]=4 88 B7R1.1 OCC1=CNN=C1 H1729 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 OCC1=COC=C1 F41115 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 OCC1=COC=N1 O7923 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.1 OCC1=CON=C1 H14705 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.1 OCC1=CSC=C1 T12827 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.1 OCC1=CSC=N1 T2165 [1,0,0,0,0,0|2,0,1]=4 94 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.1 OCC1=NC=NN1 T39912 [1,0,0,0,0,0|2,0,1]=4 96 B7R1.1 OCN1C=NC=N1 T39855 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.7 CCCC1=CC(N)=NN1 P41489 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.7 NC1=NC=C(CCO)S1 A41202 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.7 NNCC1=CC=C(Cl)S1 C13974 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.7 OCCC1=CC(Br)=NO1 B2471 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.11 COC(=O)C1=CN=CN1 M14078 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.11 COC(=O)C1=CN=CN1 M41348 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.12 CCCCC1=CSC=C1 B47048 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.12 CCCCC1=NC=CN1 B43788 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.12 CCOCC1=CC=CO1 E38338 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.12 ClCCCN1C=CN=C1 C43325 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.12 ICCCC1=CC=CS1 K46278 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.12 OCCCC1=CC=CS1 T36724 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.33 CC1=C(CCN)SC=N1 M3229 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.33 CC1=C(CCO)N=CS1 M43392 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.33 CC1=C(CCO)SC=N1 M68882 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.33 CC1=NC=CN1CCN M43556 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.33 CCOC1=C(C)N=CO1 E43381 [0,1,0,0,0,0|3,0,0]=4 117 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [0,0,0,1,0,0|3,0,0]=4 118 B9R2.2 C1=NC(C2CC2)=CN1 C11863 [0,0,0,1,0,0|1,0,2]=4 119 B9R2.2 C1=NNC=C1C2CC2 C43184 [0,0,0,1,0,0|3,0,0]=4 120 B9R2.3 C1=CN2CCCC2=N1 D63557 [0,0,0,1,0,0|3,0,0]=4 121 B9R2.3 C1=NN2CCCC2=C1 D16430 [0,0,0,1,0,0|3,0,0]=4 122 B9R2.3 C1=NNC2=C1CCC2 C15794 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,0,0,0,0,1|2,0,0]=3 124 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,0,0,0,0,1|2,0,1]=4 125 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,0,0,0,0,1|1,0,1]=3 126 B9R1.8 CCNC1=NC=CN=C1 E43330 [0,0,0,0,0,1|2,0,1]=4 127 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.8 CNCC1=CN=CN=C1 N11436 [0,0,0,0,0,1|2,0,1]=4 129 B9R1.8 CNCC1=CN=NC=C1 M12238 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.8 CNCC1=CN=NC=C1 M27035 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.8 CNCC1=NC=CN=C1 M14584 [0,0,0,0,0,1|2,0,1]=4 132 B9R1.8 N#CCC1=CN=CC=C1 P38543 [0,0,0,0,0,1|1,0,2]=4 133 B9R1.8 N#CCC1=CN=CN=C1 P1642 [0,0,0,0,0,1|0,0,3]=4 134 B9R1.8 N#CCC1=CN=NC=C1 P0143 [0,0,0,0,0,1|1,0,2]=4 135 B9R1.8 N#CCC1=NC=NC=C1 P7453 [0,0,0,0,0,1|0,0,3]=4 136 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,0,0,0,0,1|1,0,0]=2 137 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,0,0,0,0,1|1,0,1]=3 138 B9R1.8 NCCC1=NC=NC=C1 P14666 [0,0,0,0,0,1|0,0,1]=2 139 B9R1.8 NCCC1=NC=NC=C1 P29961 [0,0,0,0,0,1|0,0,1]=2 140 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.8 NNCC1=CC=CN=C1 H0097 [0,0,0,0,0,1|2,0,0]=3 143 B9R1.8 NNCC1=CC=CN=C1 H36962 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.8 NNCC1=CC=CN=N1 H13970 [0,0,0,0,0,1|2,0,1]=4 145 B9R1.8 NNCC1=CC=NC=C1 H0096 [0,0,0,0,0,1|2,0,0]=3 146 B9R1.8 NNCC1=CC=NC=C1 H26285 [0,0,0,0,0,1|2,0,0]=3 147 B9R1.8 NNCC1=CN=CN=C1 H0219 [0,0,0,0,0,1|1,0,1]=3 148 B9R1.8 NNCC1=CN=NC=C1 H12257 [0,0,0,0,0,1|2,0,0]=3 149 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,0,0,0,0,1|2,0,1]=4 150 B9R1.8 NNCC1=NC=CC=N1 H7463 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.8 NNCC1=NC=CN=C1 H7534 [0,0,0,0,0,1|1,0,1]=3 152 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,0,0,0,0,1|2,0,0]=3 154 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,0,0,0,0,1|2,0,0]=3 155 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,0,0,0,0,1|1,0,1]=3 156 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,0,0,0,0,1|3,0,0]=4 157 B6R0.1 CNC(=O)CCN A40306 [1,0,1,0,0,0|1,0,1]=4 158 B6R1.2 BrC1=CN=CS1 B2349 [2,0,0,0,0,0|2,0,0]=4 159 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|1,0,0]=3 160 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.2 CC1=CC=NO1 M24354 [2,0,0,0,0,0|2,0,0]=4 162 B6R1.2 CC1=CN=CS1 M40166 [2,0,0,0,0,0|1,0,0]=3 163 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|1,0,1]=4 164 B6R1.2 CC1=COC=N1 M13405 [2,0,0,0,0,0|1,0,1]=4 165 B6R1.2 CC1=CSC=N1 M24933 [2,0,0,0,0,0|1,0,1]=4 166 B6R1.2 CC1=NN=CN1 M15832 [2,0,0,0,0,0|1,0,0]=3 167 B6R1.2 CC1=NN=CO1 M32022 [2,0,0,0,0,0|2,0,0]=4 168 B6R1.2 CC1=NON=C1 M62158 [2,0,0,0,0,0|1,0,1]=4 169 B6R1.2 CN1C=CN=C1 M68061 [2,0,0,0,0,0|2,0,0]=4 170 B6R1.2 CN1C=NC=N1 M64922 [2,0,0,0,0,0|1,0,1]=4 171 B6R1.2 ClC1=CN=CN1 C38031 [2,0,0,0,0,0|1,0,0]=3 172 B6R1.2 IC1=CN=CN1 I2351 [2,0,0,0,0,0|1,0,0]=3 173 B6R1.2 NC1=CC=NN1 P61114 [2,0,0,0,0,0|2,0,0]=4 174 B6R1.2 NC1=CC=NO1 X67704 [2,0,0,0,0,0|2,0,0]=4 175 B6R1.2 NC1=CC=NS1 T39909 [2,0,0,0,0,0|2,0,0]=4 176 B6R1.2 NC1=CN=CN1 I37101 [2,0,0,0,0,0|0,0,0]=2 177 B6R1.2 NC1=CN=CS1 T39907 [2,0,0,0,0,0|1,0,0]=3 178 B6R1.2 NC1=CN=NS1 T39765 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.2 NC1=CNC=N1 I37475 [2,0,0,0,0,0|0,0,2]=4 180 B6R1.2 NC1=CNN=C1 A12900 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 NC1=CNN=C1 A39853 [2,0,0,0,0,0|2,0,0]=4 182 B6R1.2 NC1=COC=N1 X36633 [2,0,0,0,0,0|1,0,1]=4 183 B6R1.2 NC1=CON=C1 A37511 [2,0,0,0,0,0|2,0,0]=4 184 B6R1.2 NC1=CON=C1 K39833 [2,0,0,0,0,0|2,0,0]=4 185 B6R1.2 NC1=CSC=C1 A40167 [2,0,0,0,0,0|2,0,0]=4 186 B6R1.2 NC1=CSC=C1 T10330 [2,0,0,0,0,0|2,0,0]=4 187 B6R1.2 NC1=CSC=C1 T64858 [2,0,0,0,0,0|2,0,0]=4 188 B6R1.2 NC1=CSC=N1 T39908 [2,0,0,0,0,0|1,0,1]=4 189 B6R1.2 NC1=NC=CN1 A28762 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 NC1=NC=CN1 A39803 [2,0,0,0,0,0|2,0,0]=4 191 B6R1.2 NC1=NC=NS1 T39794 [2,0,0,0,0,0|1,0,1]=4 192 B6R1.2 NC1=NC=NS1 T39799 [2,0,0,0,0,0|1,0,1]=4 193 B6R1.2 NC1=NC=NS1 T61256 [2,0,0,0,0,0|1,0,1]=4 194 B6R1.2 NC1=NN=CS1 T69243 [2,0,0,0,0,0|2,0,0]=4 195 B6R1.2 NN1C=CN=C1 I38788 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.1 CC1=CC=C(CN)O1 M37131 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.1 CC1=NC(CN)=CO1 M41196 [1,1,0,0,0,0|1,0,1]=4 198 B8R1.1 CC1=NC(CN)=CO1 M41310 [1,1,0,0,0,0|1,0,1]=4 199 B8R1.1 CC1=NC=C(CBr)S1 B41111 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.1 CC1=NC=C(CN)O1 M41197 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.1 CC1=NC=C(CO)O1 M37561 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.1 CC1=NC=C(CO)S1 M1967 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.1 CC1=NOC(CN)=C1 M41364 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.1 CCC1=CC(N)=NO1 E41190 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.1 CCC1=CN=C(C)N1 E41428 [1,1,0,0,0,0|0,0,0]=2 207 B8R1.1 CCC1=CN=C(N)S1 E41203 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.1 CCC1=CN=C(N)S1 E69753 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.1 CCC1=NN=C(N)O1 A12274 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.1 CN1C=C(CN)C=N1 M16591 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.1 CN1C=C(CN)C=N1 M17032 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.1 CN1C=C(CN)C=N1 M9443 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.1 CN1C=NC(CN)=C1 A11226 [1,1,0,0,0,0|0,0,2]=4 214 B8R1.1 CN1C=NC(CN)=C1 A11227 [1,1,0,0,0,0|0,0,2]=4 215 B8R1.1 CN1C=NC(CN)=C1 A29740 [1,1,0,0,0,0|0,0,2]=4 216 B8R1.1 CSC1=CN=C(N)S1 M40191 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.1 NC1=NC=C(CO)S1 A40187 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.1 NCC1=CC(Br)=CS1 B41112 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.1 NCC1=CC=C(Br)S1 A12757 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.1 NCC1=CC=C(F)S1 F8124 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.1 NCC1=CSC(Br)=C1 B16484 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.1 OCC1=CN=C(Br)S1 B2127 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.7 CC(=O)C1=CC=CN1 P68619 [1,1,0,0,0,0|1,0,1]=4 230 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.7 CC(C)C1=NC=CN1 P67407 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [1,1,0,0,0,0|0,0,0]=2 236 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [1,1,0,0,0,0|0,0,2]=4 237 B8R1.7 NC(=O)C1=NN=CN1 T69492 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.7 O=[N+]([O-])C1=CN=CN1 N69288 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.11 CC1=C(CCl)NC=N1 C2452 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.11 CC1=C(CO)NC=N1 H2822 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.11 CC1=NON=C1CN M61342 [1,1,0,0,0,0|1,0,1]=4 242 B8R1.11 CCC1=NC=CN1C E46632 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.11 CCN1C=CN=C1C E63017 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.11 CN1C=CC=C1CN M41429 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.11 CN1C=CN=C1CN A13925 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.11 CN1C=NC=C1C#N M11288 [1,1,0,0,0,0|0,0,2]=4 247 B8R1.11 CN1C=NC=C1CN M1713 [1,1,0,0,0,0|0,0,0]=2 248 B8R1.11 CN1C=NC=C1CO H14300 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.11 CN1C=NN=C1CO M40222 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.11 CN1N=CC=C1CN M9954 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.11 OCC1=C(Br)N=CS1 B38277 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [0,1,0,0,0,1|1,0,1]=4 257 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [0,1,0,0,0,1|1,0,1]=4 260 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [0,1,0,0,0,1|1,0,1]=4 263 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [0,1,0,0,0,1|1,0,1]=4 272 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [0,1,0,0,0,1|1,0,1]=4 273 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,1,0,0,0,1|1,0,0]=3 278 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,1,0,0,0,1|1,0,1]=4 280 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,1,0,0,0,1|2,0,0]=4 281 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,1,0,0,0,1|1,0,0]=3 282 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,1,0,0,0,1|1,0,0]=3 283 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.17 NCCNC1=NC=CC=N1 P41447 [0,1,0,0,0,1|1,0,1]=4 285 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.17 NCCOC1=CC=NC=C1 P46588 [0,1,0,0,0,1|1,0,0]=3 287 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,1,0,0,0,1|1,0,1]=4 288 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,1,0,0,0,1|1,0,1]=4 290 B10R1.11 CCOC(=O)C1=CN=CN1 E22557 [0,2,0,0,0,0|1,0,1]=4 291 B10R1.21 NCCSCC1=CC=CO1 A3034 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.27 N[C@H](CO)CC1=CNC=N1 A43557 [0,2,0,0,0,0|0,0,2]=4 293 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,2,0,0,0,0|2,0,0]=4 294 B8R1.2 NCC1=CC=CN=C1 A69257 [0,0,1,1,0,0|1,0,1]=4 295 B8R1.2 NCC1=CC=NC=C1 P67743 [0,0,1,1,0,0|1,0,1]=4 296 B8R1.2 NCC1=CN=CN=C1 P0028 [0,0,1,1,0,0|0,0,2]=4 297 B8R1.2 NCC1=CN=CN=C1 P29548 [0,0,1,1,0,0|0,0,2]=4 298 B8R1.2 NCC1=NC=NC=C1 A0032 [0,0,1,1,0,0|0,0,2]=4 299 B8R1.2 NCC1=NC=NC=C1 A10198 [0,0,1,1,0,0|0,0,2]=4 300 B8R1.2 NCC1=NC=NC=C1 P23754 [0,0,1,1,0,0|0,0,2]=4 301 B8R1.5 NC1=NC=CN=C1N D14607 [0,0,1,1,0,0|1,0,1]=4 302 B8R1.4 NC1=CN=CC(N)=C1 P41138 [0,0,1,1,0,0|0,0,2]=4 303 B8R1.4 NC1=CN=CC(N)=N1 P40325 [0,0,1,1,0,0|1,0,1]=4 304 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [0,0,0,1,0,1|1,0,0]=3 305 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [0,0,0,1,0,1|1,0,0]=3 306 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [0,0,0,1,0,1|2,0,0]=4 307 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [0,0,0,1,0,1|1,0,0]=3 308 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [0,0,0,1,0,1|1,0,0]=3 309 B10R2.2 S[C@H]1CN2C=NC=[N+]2C1 D67763 [0,1,0,1,0,0|2,0,0]=4 310 B10R2.14 NC1=NC=C(C2CC2)S1 C61896 [0,1,0,1,0,0|2,0,0]=4