0 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.3 CCC1=NC=C(CN)C=N1 81406 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [0,0,0,0,0,0|2,1,0]=3 9 B10R1.3 CNC1=CN=C(OC)N=C1 AT18224 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.3 CNC1=NC=C(OC)C=N1 AT18373 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.3 COC1=CN=C(CCl)N=C1 F30448 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.3 COC1=CN=C(CCl)N=C1 P16747 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.3 COC1=CN=C(CN)N=C1 F30456 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.3 COC1=NC=C(CCl)C=N1 AT18228 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.3 COC1=NC=C(CCl)C=N1 P14060 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.3 COC1=NC=C(NN)N=C1 BL010282 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.3 COC1=NN=C(CBr)C=C1 94344 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.3 COC1=NN=C(CCl)C=C1 94346 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [0,0,0,0,0,0|1,1,2]=4 24 B10R1.3 CSC1=NC=C(CBr)C=N1 AC5893 [0,0,0,0,0,0|3,1,0]=4 25 B10R1.3 N#CC1=NC=C(CN)C=C1 20809 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.3 N#CC1=NC=C(CN)C=C1 AT18624 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.3 N#CC1=NC=C(CO)C=C1 87746 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.3 OCC1=CN=C(CO)C=C1 AC5585 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.1 CC1=CN=C(CBr)N=C1 95158 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 CC1=CN=C(CCl)N=C1 P10954 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [1,0,0,0,0,0|2,1,0]=4 37 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 COC1=CN=C(I)C=C1 F17075 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.1 COC1=CN=C(I)C=N1 D75305 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [1,0,0,0,0,0|2,1,0]=4 44 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [1,0,0,0,0,0|2,1,0]=4 45 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,0,0,0,0,0|1,1,0]=3 46 B9R1.1 ClC1=CN=C(CBr)C=C1 S12201 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 ClCC1=CN=C(Cl)C=C1 W18630 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 FC1=CN=C(CCl)C=C1 P19178 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 NC1=CN=C(CO)N=C1 D78843 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.1 NC1=NC=C(CCl)C=C1 AT22351 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.1 NC1=NN=C(CO)C=C1 AT17786 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [1,0,0,0,0,0|1,1,0]=3 54 B9R1.1 NCC1=NC=C(F)C=C1 83593 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 NCC1=NC=C(I)C=C1 C91084 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.1 OCC1=NC=C(O)C=N1 72629 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 OCC1=NN=C(Cl)C=C1 AT17814 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [0,1,0,0,0,0|1,1,0]=3 62 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [0,1,0,0,0,0|1,1,1]=4 63 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.3 CNC1=CC=C(B(O)O)C=C1 N10060 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.3 COC1=CN=C(B(O)O)C=C1 64590 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90819 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90820 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 N10328 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [0,1,0,0,0,0|1,1,0]=3 76 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [0,1,0,0,0,0|1,1,0]=3 77 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [0,1,0,0,0,0|0,1,0]=2 78 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [0,1,0,0,0,0|0,1,0]=2 79 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16855 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13987 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.3 O=CC1=CC=C(C(F)F)C=C1 C91393 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.3 OCC1=CC=C(C(F)F)C=C1 AT10625 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,1,0,0,0,0|0,0,2]=3 86 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.83 CCOC1=CC=C(CCl)C=C1 60965 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.83 CCOC1=CN=C(CO)C=C1 CL0296 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.83 CCSC1=CC=C(CN)C=C1 AT20991 [0,1,0,0,0,0|1,1,0]=3 92 B11R1.83 COC1=CN=C(CCN)C=C1 C15008 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.83 COC1=NC=C(CCN)C=C1 W10137 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.83 COC1=NC=C(CCN)C=N1 AT18225 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.83 COC1=NC=C(CCN)C=N1 AT18231 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.83 COC1=NC=C(CCO)C=N1 AT18226 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.83 N#CC1=CC=C(\C=N\O)C=C1 W10686 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.83 NCCC1=CC=C(CO)C=C1 20162 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 AB1475 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.279 C#CC1=C(Br)C=C(OC)C=C1 AT26829 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.279 CCC1=C(O)C=C(OC)C=C1 75531 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 AT26698 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.279 CNC1=C(F)C=C(C#N)C=C1 I11059 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.279 COC1=C(Br)C=C(CN)C=C1 AC5724 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.279 COC1=C(C)C=C(CCl)C=C1 F14712 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.279 COC1=C(Cl)C=C(CN)C=N1 F50183 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.279 COC1=C(F)C=C(CO)C=N1 97679 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.279 COC1=C(N)C=C(C=O)C=C1 26715 [0,1,0,0,0,0|0,0,2]=3 109 B11R1.279 COC1=CC(C)=C(NN)C=C1 D87953 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.279 COC1=CC(F)=C(CO)C=N1 97685 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.279 COC1=CC(O)=C(CO)C=C1 AC7760 [0,1,0,0,0,0|0,0,0]=1 112 B11R1.279 COC1=CC=C(C#N)C(Cl)=N1 AT10589 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.279 COC1=CC=C(CO)C(Cl)=N1 C71897 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.279 COC1=CC=C(CO)N=C1Br F53393 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.279 COC1=CC=C(CO)N=C1I F53668 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.279 COC1=NC(C)=C(CO)C=C1 O10141 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.279 COC1=NC(N)=C(C=O)C=C1 66190 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.279 COC1=NC=C(C#N)C=C1C 92229 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.279 CSC1=C(C)C=C(CN)C=C1 AT20988 [0,1,0,0,0,0|1,1,0]=3 120 B11R1.279 CSC1=C(Cl)C=C(C=O)C=C1 AT16394 [0,1,0,0,0,0|0,1,2]=4 121 B11R1.279 N#CC1=C(Br)C=C(CN)C=C1 51993 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.279 N#CC1=C(F)C=C(CN)C=C1 AB2617 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.21 CCC1=CC(CN)=CS1 54989 [0,0,0,0,1,0|3,0,0]=4 124 B9R1.21 CCC1=NC=C(CO)N1 AT15340 [0,0,0,0,1,0|3,0,0]=4 125 B9R1.21 CCN1C=CC(CO)=N1 AT24106 [0,0,0,0,1,0|3,0,0]=4 126 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [0,0,0,0,1,0|1,0,2]=4 127 B9R1.21 COC1=CC=C(C=O)S1 F53534 [0,0,0,0,1,0|1,0,2]=4 128 B9R1.21 COC1=NOC(CO)=C1 70864 [0,0,0,0,1,0|2,0,0]=3 129 B9R1.21 COC1=NSC(CO)=C1 AT21060 [0,0,0,0,1,0|2,0,0]=3 130 B9R1.21 NCC1=CC=C(CO)O1 AT17200 [0,0,0,0,1,0|3,0,0]=4 131 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|1,0,0]=3 132 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|1,0,0]=3 133 B8R1.3 CC1=CN=C(C)N=C1 C15366 [2,0,0,0,0,0|2,0,0]=4 134 B8R1.3 CC1=CN=C(O)N=C1 W10551 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.1 CC1=CC=C(C#CBr)C=C1 94424 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,1,0,0,0,0|0,0,1]=3 140 B10R1.1 CC1=NC=C(CC#N)C=C1 54748 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|0,1,0]=3 144 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|1,1,0]=4 145 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.13 CC1=CN=C(B(O)O)C=C1 F10369 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.13 CC1=CN=C(B([O-])O)C=C1 AT15741 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.13 CC1=NC=C([C@H](C)O)C=N1 AT10878 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [1,1,0,0,0,0|1,1,0]=4 160 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 73092 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.13 C[N+]1=CC=C(B(O)O)C=C1 AT14603 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.25 BrCC1=C(Br)C=C(Br)C=C1 C90776 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [1,1,0,0,0,0|0,0,0]=2 174 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [1,1,0,0,0,0|0,0,0]=2 177 B10R1.25 CC1=CC(F)=C(NN)C=C1 A12578 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [1,1,0,0,0,0|0,0,2]=4 179 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [1,1,0,0,0,0|0,0,0]=2 180 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,1,0,0,0,0|0,0,0]=2 181 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.25 CC1=NC=C(CO)C(O)=N1 C76221 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.25 CNC1=NC=C(C)C=C1N D75084 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.25 COC1=C(Br)C=C(O)C=N1 C72194 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.25 COC1=C(F)C=C(O)C=N1 91782 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.25 COC1=C(O)N=C(C)N=C1 F30536 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.25 COC1=NC=C(C)C=C1N D74381 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.25 COC1=NC=C(Cl)C=C1F N10102 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [1,1,0,0,0,0|1,1,0]=4 198 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [1,1,0,0,0,0|0,1,0]=3 199 B10R1.25 FC1=CC(F)=C(CS)C=C1 AT13686 [1,1,0,0,0,0|1,1,0]=4 200 B10R1.25 NC1=C(CO)C=CC(F)=C1 AC5155 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.25 NC1=CC(F)=C(CO)C=C1 AT26531 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11648 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.25 NCC1=C(Cl)C=C(O)C=C1 F52064 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.25 NCC1=C(F)C=C(N)C=C1 C90567 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14307 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.25 NCC1=C(N)C=C(Cl)C=C1 AC6575 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.25 NCC1=C(O)C=C(Br)C=C1 AT19138 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.25 OCC1=C(Br)C=C(Br)C=N1 C14404 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.25 OCC1=C(Cl)N=C(Br)C=C1 AT21654 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 C90809 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.176 BrCC1=CC(Br)=C(I)C=C1 AT26690 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.176 BrCC1=CC(I)=C(Br)C=C1 97476 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.176 CC1=C(Br)C=C(CO)N=C1 81452 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.176 CC1=C(Br)C=NC(CO)=C1 C72572 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.176 CC1=C(F)C=C(CO)C=N1 C77142 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.176 CC1=C(F)C=CC(CO)=N1 O10128 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [1,1,0,0,0,0|0,0,0]=2 222 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.176 CC1=CC(CO)=CN=C1C F53420 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.176 CN1C=CC(CCl)=CC1=O AT19302 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.176 CNC1=CC(Cl)=C(Br)C=C1 AC3296 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.176 CNC1=CC(F)=C(Br)C=C1 S10823 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.176 COC1=CC(C)=[N+]([O-])C=C1 F18022 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.176 COC1=CC(I)=C(C)C=N1 AT12881 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [1,1,0,0,0,0|0,1,0]=3 237 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [1,1,0,0,0,0|0,1,0]=3 238 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.176 COC1=NC(Cl)=C(I)C=C1 N10091 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [1,1,0,0,0,0|1,1,0]=4 241 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [1,1,0,0,0,0|0,1,0]=3 242 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [1,1,0,0,0,0|0,1,0]=3 243 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 W16546 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.176 FC1=C(Br)C=CC(CCl)=C1 96328 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 CK1006 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.176 NC1=C(Cl)C=C(CO)C=N1 AT11640 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.176 NCC1=CC(O)=C(N)C=C1 F13360 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.176 O=C1C=C(CO)C=CN1O C92065 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 AC7185 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.176 OCC1=CC(I)=C(Br)C=C1 97475 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.176 OCC1=CN=C(Br)C(Cl)=C1 AT10810 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.176 OCC1=CN=C(Cl)C(F)=C1 D88117 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [0,1,0,0,1,0|1,0,1]=4 255 B10R1.96 COC1=NOC(CNO)=C1 AT19595 [0,1,0,0,1,0|2,0,0]=4 256 B10R1.258 COC1=NOC(CO)=C1Br AT19737 [0,1,0,0,1,0|2,0,0]=4 257 B12R1.5 C#C[C@@H](O)C1=CC=C(C#N)C=C1 AC4571 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.5 C#C[C@@H](O)C1=CC=C(OC)C=C1 AC5064 [0,2,0,0,0,0|0,0,0]=2 259 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15274 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15275 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15276 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15289 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15290 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15291 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.5 CCC1=CC=C(C(=O)CO)C=C1 AC2757 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13461 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13462 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13463 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 92554 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.5 CC[C@H](Cl)C1=CN=C(OC)C=C1 91403 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,2,0,0,0,0|1,0,0]=3 272 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,2,0,0,0,0|1,0,0]=3 273 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.5 CC[C@H](N)C1=CC=C(SC)C=C1 N11382 [0,2,0,0,0,0|1,1,0]=4 275 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11202 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 N11365 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.5 CNC(=O)C1=CC=C(CBr)C=C1 D97640 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 97528 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 57141 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 P16732 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.5 COC(=O)C1=NC=C(CO)N=C1 89312 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [0,2,0,0,0,0|0,0,2]=4 284 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [0,2,0,0,0,0|0,0,0]=2 285 B12R1.5 COC1=CC=C([C@@H](N)CF)C=C1 N14616 [0,2,0,0,0,0|1,0,0]=3 286 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13480 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13481 [0,2,0,0,0,0|1,0,0]=3 288 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13482 [0,2,0,0,0,0|1,0,0]=3 289 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13488 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13489 [0,2,0,0,0,0|1,0,0]=3 291 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13490 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [0,2,0,0,0,0|0,0,0]=2 293 B12R1.5 COC1=NC=C(C(=O)CCl)C=C1 D77905 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 F16997 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 Y11425 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 H10559 [0,2,0,0,0,0|1,1,0]=4 297 B12R1.5 CSC1=CC=C([C@@H](N)CO)C=C1 H10359 [0,2,0,0,0,0|0,1,0]=3 298 B12R1.6 COC1=CC=C([S@@](C)(=N)=O)C=C1 W18264 [0,2,0,0,0,0|1,0,1]=4 299 B12R1.6 CS(=O)(=O)C1=NC=C(CO)C=C1 C73938 [0,2,0,0,0,0|1,1,0]=4 300 B12R1.6 OCC1=CC=C([B-](F)(F)F)C=C1 65344 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.6 [2H]C([2H])([2H])C1=CC=C(OC)C=C1 D98297 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.48 CC(=O)C1=CC(Br)=C(CBr)C=C1 W17125 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.48 CCC1=C(Br)C=C(C(C)=O)C=C1 F17056 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.48 CCC1=C(I)C=C(C(=O)O)C=C1 I11380 [0,2,0,0,0,0|1,0,1]=4 305 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 O10956 [0,2,0,0,0,0|1,0,1]=4 306 B12R1.48 COC1=C(F)C=C([C@H](C)Br)C=C1 96595 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.48 COC1=C(F)C=C([C@H](C)Cl)C=C1 97968 [0,2,0,0,0,0|1,0,0]=3 308 B12R1.48 COC1=C(F)C=C([C@H](C)O)C=C1 96594 [0,2,0,0,0,0|0,0,0]=2 309 B12R1.48 COC1=CN=C(C(=O)O)C=C1O 96427 [0,2,0,0,0,0|1,0,1]=4 310 B12R1.48 C[C@H](N)C1=CC(F)=C(CO)C=C1 N14392 [0,2,0,0,0,0|1,0,0]=3 311 B12R1.113 CC#CC1=CC=C(B(O)O)C=C1 AC6268 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 C13364 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.113 CCOC1=CC=C([C@@H](N)O)C=C1 E72788 [0,2,0,0,0,0|0,0,0]=2 314 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 C77727 [0,2,0,0,0,0|1,0,0]=3 315 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 C15909 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.113 NOCC1=CC=C(C(=O)O)C=C1 AT14532 [0,2,0,0,0,0|1,0,1]=4 317 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 O10282 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12994 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12996 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.256 C[C@H](N)C1=CC=C(B(O)O)C=C1 I12564 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50524 [0,2,0,0,0,0|1,0,1]=4 322 B12R1.256 C[C@H](N)C1=CC=C(C(F)F)C=C1 N14665 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 I10900 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 N12577 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y11471 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.256 C[S@](=O)C1=CC=C(C(=O)O)C=C1 AT22899 [0,2,0,0,0,0|0,1,1]=4 327 B12R1.452 CC1=C(B(O)O)C=CC(CO)=C1 D71505 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.452 COC1=CC(Br)=C(C(C)C)C=C1 E71918 [0,2,0,0,0,0|1,0,0]=3 329 B12R1.452 COC1=CC(F)=C(C(=O)O)C=N1 N17087 [0,2,0,0,0,0|1,0,1]=4 330 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 P10295 [0,2,0,0,0,0|1,0,0]=3 331 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 F15890 [0,2,0,0,0,0|0,0,2]=4 332 B12R1.452 COC1=CC=C(B(O)O)C(Cl)=N1 AT15054 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 Y10543 [0,2,0,0,0,0|1,0,1]=4 334 B12R1.452 CSC1=CC(F)=C(B(O)O)C=C1 D71376 [0,2,0,0,0,0|1,1,0]=4 335 B12R1.452 C[C@H](N)C1=C(F)C=C(CO)C=C1 N14658 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.452 O=[N+]([O-])C1=C(Cl)C=C(CO)C=C1 A50673 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,2,0,0,0,0|1,1,0]=4 338 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,2,0,0,0,0|0,1,0]=3 339 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,2,0,0,0,0|1,0,0]=3 340 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,2,0,0,0,0|1,0,0]=3 341 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,2,0,0,0,0|1,0,0]=3 342 B12R1.4 CSC1=CC=C(OC(F)F)C=C1 W16571 [0,2,0,0,0,0|1,1,0]=4 343 B12R1.4 FC(F)OC1=CN=C(CBr)C=C1 P14812 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.4 FC(F)SC1=CC=C(CCl)C=C1 AT20999 [0,2,0,0,0,0|1,1,0]=4 345 B12R1.4 NCC1=CN=C(OC(F)F)C=C1 AT13002 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.4 OCC1=CN=C(OC(F)F)C=C1 S11109 [0,2,0,0,0,0|1,0,0]=3 347 B12R1.71 C#CCOC1=CC=C(CO)C=C1 C15641 [0,2,0,0,0,0|0,0,0]=2 348 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.71 CCC1=CC=C(CCCO)C=C1 C77990 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,2,0,0,0,0|0,0,1]=3 352 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [0,2,0,0,0,0|1,0,0]=3 354 B12R1.71 CSC1=CC=C(CCCN)C=C1 N13315 [0,2,0,0,0,0|1,1,0]=4 355 B12R1.71 CSC1=CC=C(OCC#N)C=C1 AC9751 [0,2,0,0,0,0|1,1,0]=4 356 B12R1.114 CCOC1=C(O)C=C(C=O)C=C1 A51060 [0,2,0,0,0,0|0,0,2]=4 357 B12R1.116 CCOC1=CC=C(CCO)C=C1 C78072 [0,2,0,0,0,0|0,0,0]=2 358 B12R1.116 ClCCC1=CC=C(CCCl)C=C1 T71283 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.288 CCOC1=CC(F)=C(C=O)C=C1 36525 [0,2,0,0,0,0|0,0,2]=4 360 B12R1.288 CCOC1=CC(F)=C(CBr)C=C1 D80283 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.288 CCOC1=CC(F)=C(CN)C=C1 N14202 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.288 COC1=C(F)C=C(CCN)C=C1 D87759 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.78 COC1=C(C#N)N=C(CN)C=C1 F51245 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.78 COC1=C(OC)C=C(CN)C=C1 N14221 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.78 COC1=CC(OC)=C(CS)C=C1 AT13685 [0,2,0,0,0,0|0,1,0]=3 366 B12R1.78 COC1=CC(OC)=C(NN)C=C1 F12477 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.78 COC1=CC(OC)=C(NN)C=C1 F12478 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.78 COC1=CC(OC)=NC=C1CO 97682 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.78 COC1=CC=C(CN)N=C1OC F31028 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.78 COC1=CC=C(CO)N=C1OC D75064 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.78 CSC1=C(C#N)C=C(CN)C=C1 AT20897 [0,2,0,0,0,0|1,1,0]=4 372 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 AC7983 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.301 COC1=CC(C)=C(CCl)C(C)=C1 CK2023 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.301 COC1=CC(C)=C(CO)C(C)=C1 54711 [0,2,0,0,0,0|0,0,0]=2 375 B12R1.301 CSC1=C(F)C=C(CO)C=C1F 54046 [0,2,0,0,0,0|0,1,0]=3 376 B12R1.450 COC1=C(Br)C=C(C=O)C(F)=C1 D78772 [0,2,0,0,0,0|0,0,2]=4 377 B12R1.450 COC1=C(Br)C=C(C=O)C(N)=C1 F15880 [0,2,0,0,0,0|0,0,2]=4 378 B12R1.450 COC1=C(Cl)C=C(C#N)C(Cl)=C1 C90934 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.450 COC1=C(Cl)C=C(C=O)C(C)=C1 D96249 [0,2,0,0,0,0|0,0,2]=4 380 B12R1.450 COC1=C(Cl)C=C(C=O)C(Cl)=C1 F17589 [0,2,0,0,0,0|0,0,2]=4 381 B12R2.9 BrCC1=CC=C(C2CC2)C=C1 51969 [0,1,0,1,0,0|2,0,0]=4 382 B12R2.9 CCC1=CC=C(C2CC2)C=C1 AC8465 [0,1,0,1,0,0|2,0,0]=4 383 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,1,0,1,0,0|1,0,0]=3 384 B12R2.9 ClCC1=CC=C(C2CC2)C=C1 P12610 [0,1,0,1,0,0|2,0,0]=4 385 B12R2.9 NCC1=CC=C(C2CC2)C=C1 33490 [0,1,0,1,0,0|2,0,0]=4 386 B12R2.44 BrCC1=CC2=C(C=C1)CCC2 71843 [0,1,0,1,0,0|2,0,0]=4 387 B12R2.44 BrCC1=CC2=C(C=C1)OC=C2 AC5003 [0,1,0,1,0,0|1,0,1]=4 388 B12R2.44 CNC1=CC2=C(C=C1)CCC2 F12591 [0,1,0,1,0,0|2,0,0]=4 389 B12R2.44 COC1=CC2=C(C=C1)SN=N2 D77627 [0,1,0,1,0,0|2,0,0]=4 390 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [0,1,0,1,0,0|1,0,1]=4 391 B12R2.44 COC1=CN=C2CNCC2=C1 F19782 [0,1,0,1,0,0|2,0,0]=4 392 B12R2.44 ClCC1=CC2=C(C=C1)CCC2 AT13426 [0,1,0,1,0,0|2,0,0]=4 393 B12R2.44 NCC1=CC2=C(C=C1)CNC2 D87544 [0,1,0,1,0,0|2,0,0]=4 394 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F13229 [0,1,0,1,0,0|1,0,1]=4 395 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F20150 [0,1,0,1,0,0|1,0,1]=4 396 B12R2.44 NCC1=CC2=C(C=C1)OC=N2 AC2206 [0,1,0,1,0,0|1,0,1]=4 397 B12R2.44 OCC1=CC2=C(C=C1)CCC2 AT13427 [0,1,0,1,0,0|1,0,0]=3 398 B12R2.44 OCC1=CC2=C(C=N1)COC2 W11885 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.1 CC1=CC(CN)=CO1 AT17525 [1,0,0,0,1,0|2,0,0]=4 400 B8R1.1 CC1=CC(CO)=CO1 AT17479 [1,0,0,0,1,0|1,0,0]=3 401 B8R1.1 CC1=CC(CO)=CS1 AT16765 [1,0,0,0,1,0|1,0,0]=3 402 B8R1.1 CC1=CC(CO)=NN1 O10131 [1,0,0,0,1,0|2,0,0]=4 403 B8R1.1 CC1=CC(CO)=NS1 AT21126 [1,0,0,0,1,0|2,0,0]=4 404 B8R1.1 CC1=CN=C(CO)N1 P12877 [1,0,0,0,1,0|2,0,0]=4 405 B8R1.1 CC1=CN=C(CO)O1 AT18512 [1,0,0,0,1,0|2,0,0]=4 406 B8R1.1 CC1=COC(CO)=C1 AT17124 [1,0,0,0,1,0|1,0,0]=3 407 B8R1.1 CC1=NC=C(CO)N1 W10507 [1,0,0,0,1,0|2,0,0]=4 408 B8R1.1 CC1=NC=C(CO)O1 F12980 [1,0,0,0,1,0|2,0,0]=4 409 B8R1.1 CN1C=CC(CN)=C1 AT16243 [1,0,0,0,1,0|2,0,0]=4 410 B8R1.1 COC1=CC=C(Br)S1 N10622 [1,0,0,0,1,0|2,0,0]=4 411 B8R1.1 COC1=CN(C)N=C1 C91427 [1,0,0,0,1,0|2,0,0]=4 412 B8R1.1 COC1=NN(C)C=C1 AT24917 [1,0,0,0,1,0|2,0,0]=4 413 B8R1.1 COC1=NNC(C)=C1 E71889 [1,0,0,0,1,0|2,0,0]=4 414 B8R1.1 OCC1=CC(Cl)=CS1 37631 [1,0,0,0,1,0|2,0,0]=4 415 B8R1.1 OCC1=CSC(Br)=C1 AT16369 [1,0,0,0,1,0|2,0,0]=4 416 B8R1.1 OCC1=NNC(O)=C1 C90528 [1,0,0,0,1,0|2,0,0]=4 417 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [0,0,0,0,1,1|1,0,0]=3 418 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [0,0,0,0,1,1|2,0,0]=4 419 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [0,0,0,0,1,1|1,0,0]=3 420 B10R1.172 CNC1=NC=CC(CO)=C1 AT18191 [0,0,0,0,1,1|1,0,0]=3 421 B10R1.172 CNC1=NC=CC(CO)=N1 D75561 [0,0,0,0,1,1|2,0,0]=4 422 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,0,0,0,1,1|1,0,0]=3 423 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [0,0,0,0,1,1|2,0,0]=4 424 B10R1.172 COC1=CN=NC(CO)=C1 P14137 [0,0,0,0,1,1|1,0,0]=3 425 B10R1.172 COC1=NC(CN)=CC=C1 79028 [0,0,0,0,1,1|2,0,0]=4 426 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [0,0,0,0,1,1|1,0,0]=3 427 B10R1.172 COC1=NC=CC(CCl)=N1 F30444 [0,0,0,0,1,1|2,0,0]=4 428 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [0,0,0,0,1,1|2,0,0]=4 429 B10R1.172 COC1=NC=NC(CN)=C1 P12885 [0,0,0,0,1,1|2,0,0]=4 430 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [0,0,0,0,1,1|1,1,0]=4 431 B10R1.172 NCC1=CC=CC(CO)=C1 C75075 [0,0,0,0,1,1|2,0,0]=4 432 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [0,0,0,0,1,1|2,0,0]=4 433 B10R1.172 OCC1=CN=CC(CO)=C1 61754 [0,0,0,0,1,1|2,0,0]=4