0 B7R1.4 BrC1=CSC=C1I C76358 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 CC1=C(Br)NC=N1 23642 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 CC1=C(C)SC=C1 C16125 [0,0,0,0,0,0|1,1,0]=2 3 B7R1.4 CC1=C(I)C=NO1 C10013 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.4 CN1N=CC=C1O AT12748 [0,0,0,0,0,0|2,1,0]=3 5 B7R1.4 CN1SC=CC1=O F21330 [0,0,0,0,0,0|1,2,0]=3 6 B7R1.4 ClC1=NNC=C1I E72198 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.4 NC1=C(Br)C=NN1 CS1041 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.4 NC1=NNC=C1I 72274 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 CC1=CCCC1 A10734 [1,0,0,0,0,0|1,0,2]=4 10 B6R1.2 CC1=CON=C1 I11485 [1,0,0,0,0,0|2,0,0]=3 11 B6R1.2 CN1C=CN=C1 D91624 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 ClC1=NNC=C1 P11494 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 IC1=CC=CO1 D95176 [1,0,0,0,0,0|1,0,0]=2 14 B6R1.2 NC1=NNC=C1 F11599 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 OC1=NNC=C1 F17284 [1,0,0,0,0,0|2,1,0]=4 16 B6R1.2 OC1=NSC=C1 AT11769 [1,0,0,0,0,0|1,2,0]=4 17 B6R1.2 SC1=NNC=N1 AT12147 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 [Zr+3]C1C=CC=C1 D89476 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.11 CC1=C(C=O)C=CO1 AT17469 [0,1,0,0,0,0|0,1,0]=2 20 B8R1.11 CC1=C(C=O)OC=C1 AT17117 [0,1,0,0,0,0|1,0,1]=3 21 B8R1.11 CC1=C(CCl)N=CN1 AT15568 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.11 CC1=C(CO)OC=N1 76823 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.11 NCC1=C(Br)SC=C1 AT16368 [0,1,0,0,0,0|2,1,0]=4 24 B8R1.18 CC1=C(Br)N=C(Br)N1 78766 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.18 CC1=C(Br)SC(N)=N1 AT14730 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.18 CC1=C(I)NC(I)=N1 35007 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.18 CC1=CC(=O)N(C)N1 O10614 [0,1,0,0,0,0|2,1,0]=4 28 B8R1.18 CC1=CC(C)=C(Br)S1 AT16349 [0,1,0,0,0,0|2,1,0]=4 29 B8R1.18 CC1=CC(N)=NN1C C14787 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.18 CC1=NN(C)C(Br)=C1 P17487 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.19 CC1(C)OC=CC1=O D87811 [0,1,0,0,0,0|0,1,1]=3 32 B8R1.50 CC1=C(N)C=NN1C F11492 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.50 CC1=C(N)N(C)N=C1 C15652 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.50 CC1=NNC(C)=C1N AT13383 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.50 CC1=NNC(N)=C1C 29855 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.50 CN1N=CC(Br)=C1N W15456 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.3 C\C=C(\C)C(C)=O D91447 [0,0,1,0,0,0|1,0,2]=4 38 B8R1.4 CC1=CC(=O)NC=N1 H11629 [0,0,0,0,0,1|2,1,0]=4 39 B8R1.4 CC1=CC=CC([Mg+])=C1 D87849 [0,0,0,0,0,1|2,0,0]=3 40 B8R1.4 CC1=CC=NC(O)=N1 35313 [0,0,0,0,0,1|2,1,0]=4 41 B8R1.4 CC1=CC=NC(O)=N1 W10295 [0,0,0,0,0,1|2,1,0]=4 42 B8R1.4 CC1=NC=CC(=O)N1 H10624 [0,0,0,0,0,1|1,1,0]=3 43 B8R1.4 CC1=NC=CC(Cl)=N1 58075 [0,0,0,0,0,1|2,0,0]=3 44 B8R1.4 C[N+]1=CC=CC(Br)=C1 S12022 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.4 FC1=CC=CC(Cl)=C1 36905 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.4 NC1=CC=CC(Br)=C1 D78531 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.4 O=C1C=CC=C(Br)N1 72149 [0,0,0,0,0,1|2,1,0]=4 48 B8R1.4 OC1=CC(O)=NC=C1 78320 [0,0,0,0,0,1|2,1,0]=4 49 B8R1.4 S=C1C=CNC(=S)N1 D87918 [0,0,0,0,0,1|2,0,1]=4 50 B8R1.5 CC1=C(N)C=CC=C1 C90102 [0,0,0,0,0,1|2,0,0]=3 51 B8R1.5 CC1=NC=CN=C1N E72340 [0,0,0,0,0,1|2,0,0]=3 52 B8R1.5 CC1=[N+](N)C=CC=C1 S12215 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.5 ClC1=C(Br)C=NC=N1 S11504 [0,0,0,0,0,1|3,0,0]=4 54 B8R1.5 ClC1=C(I)C=CN=C1 O10981 [0,0,0,0,0,1|3,0,0]=4 55 B8R1.5 FC1=C(Br)C=CN=C1 22405 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.5 FC1=C(Cl)C=CN=C1 22403 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.5 FC1=C(F)C=CC=C1 36950 [0,0,0,0,0,1|3,0,0]=4 58 B8R1.5 NC1=C(Br)C=CC=C1 N12017 [0,0,0,0,0,1|3,0,0]=4 59 B8R1.5 NC1=C(Br)C=CN=C1 O11194 [0,0,0,0,0,1|3,0,0]=4 60 B8R1.5 NC1=C(N)C=CC=C1 D91918 [0,0,0,0,0,1|3,0,0]=4 61 B8R1.5 NC1=C(S)C=CC=C1 AT19637 [0,0,0,0,0,1|2,0,0]=3 62 B8R1.5 NC1=CC=CN=C1O 38059 [0,0,0,0,0,1|2,1,0]=4 63 B8R1.5 NC1=CC=CNC1=O D86077 [0,0,0,0,0,1|2,1,0]=4 64 B8R1.5 NC1=CNC=CC1=O D80314 [0,0,0,0,0,1|2,1,0]=4 65 B8R1.5 O=C1NC=NC=C1Br 39336 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.5 O=C1NC=NC=C1F 33701 [0,0,0,0,0,1|3,0,0]=4 67 B8R1.5 OC1=C(Br)C=CC=N1 22453 [0,0,0,0,0,1|2,1,0]=4 68 B8R1.5 OC1=C(F)C=NC=N1 78780 [0,0,0,0,0,1|3,0,0]=4 69 B5R0.1 C=COC(C)C 28748 [1,0,1,0,0,0|0,0,2]=4 70 B5R0.1 CC(=O)\C=C\[O-] D78712 [1,0,1,0,0,0|0,1,1]=4 71 B5R0.1 CC(=O)\C=N\O 34785 [1,0,1,0,0,0|1,1,0]=4 72 B5R0.2 C=CCOCC D88369 [1,0,1,0,0,0|0,0,2]=4 73 B5R0.2 C=CC\C=C\C F19222 [1,0,1,0,0,0|1,0,1]=4 74 B5R0.2 CCO\C=C/Br 71052 [1,0,1,0,0,0|1,0,1]=4 75 B5R0.2 CC\C=C/CO 23141 [1,0,1,0,0,0|0,0,2]=4 76 B5R0.2 C\C=C/C=C/C D90841 [1,0,1,0,0,0|1,0,0]=3 77 B5R0.2 C\C=C/OCC D90589 [1,0,1,0,0,0|0,0,2]=4 78 B5R0.3 C=C\C(C)=C\C D91314 [1,0,1,0,0,0|1,0,0]=3 79 B5R0.3 C\C(C=O)=C/N 30165 [1,0,1,0,0,0|1,1,0]=4 80 B5R0.3 C\C=C(/C)C=O D92433 [1,0,1,0,0,0|0,1,1]=4 81 B5R0.5 C=C(C)C(=O)[O-] D91355 [1,0,1,0,0,0|1,1,0]=4 82 B5R0.5 C=C(C)C(C)=O D87596 [1,0,1,0,0,0|0,1,1]=4 83 B5R1.1 C1=CCC=C1 D88992 [2,0,0,0,0,0|1,0,0]=3 84 B5R1.1 [CH]1C=CC=C1 D90351 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.4 C\C=C\C=C\C(C)=O D90780 [0,1,1,0,0,0|1,1,0]=4 86 B7R1.1 CCC1=CC=CN1 D90555 [1,1,0,0,0,0|1,0,0]=3 87 B7R1.1 CCN1C=CC=C1 F17504 [1,1,0,0,0,0|2,0,0]=4 88 B7R1.1 COC1=CC=CO1 F10347 [1,1,0,0,0,0|0,0,0]=2 89 B7R1.1 CSC1=CC=CS1 77890 [1,1,0,0,0,0|0,1,0]=3 90 B7R1.1 NCC1=CC=CO1 AT17186 [1,1,0,0,0,0|0,0,0]=2 91 B7R1.1 NCC1=CC=NN1 70944 [1,1,0,0,0,0|2,0,0]=4 92 B7R1.1 NCC1=CSC=N1 30352 [1,1,0,0,0,0|2,0,0]=4 93 B7R1.1 NCC1=NNC=C1 39435 [1,1,0,0,0,0|2,0,0]=4 94 B7R1.1 NCC1=NNC=C1 W13339 [1,1,0,0,0,0|2,0,0]=4 95 B7R1.1 NCC1=NOC=C1 38445 [1,1,0,0,0,0|2,0,0]=4 96 B7R1.1 OCC1=CN=CN1 W10511 [1,1,0,0,0,0|2,0,0]=4 97 B7R1.1 OCC1=CNC=N1 W10530 [1,1,0,0,0,0|2,0,0]=4 98 B7R1.1 OCC1=NNC=C1 O10009 [1,1,0,0,0,0|2,0,0]=4 99 B7R1.2 CC1=CC(=O)NO1 S10286 [1,1,0,0,0,0|1,0,0]=3 100 B7R1.2 CC1=CC(=O)OC1 C16080 [1,1,0,0,0,0|1,0,1]=4 101 B7R1.2 CC1=CC(Cl)=NN1 37270 [1,1,0,0,0,0|2,0,0]=4 102 B7R1.2 CC1=CC(N)=NN1 SC1107 [1,1,0,0,0,0|2,0,0]=4 103 B7R1.2 CC1=CC=C(C)O1 F16580 [1,1,0,0,0,0|0,0,0]=2 104 B7R1.2 CC1=CCC(=O)O1 D88375 [1,1,0,0,0,0|0,0,1]=3 105 B7R1.2 CC1=CNC(=S)N1 D73306 [1,1,0,0,0,0|2,0,0]=4 106 B7R1.2 CC1=CSC(N)=N1 AT13365 [1,1,0,0,0,0|2,0,0]=4 107 B7R1.2 CC1=NNC(I)=C1 O11450 [1,1,0,0,0,0|2,0,0]=4 108 B7R1.2 CC1=NOC(O)=C1 AC8816 [1,1,0,0,0,0|2,0,0]=4 109 B7R1.2 CN1C=C(O)C=N1 AT16001 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.2 CC1=CC(CCl)=NC=C1 C15707 [0,1,0,0,0,1|2,0,0]=4 111 B9R1.2 CC1=CC=CC(CS)=C1 AT13701 [0,1,0,0,0,1|1,0,0]=3 112 B9R1.2 CNC1=CC=CC(Br)=N1 AT21378 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.2 COC1=CC(N)=CC=C1 D88266 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.2 FC1=CC=CC(CS)=C1 AT13684 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.2 NCC1=CC=CC(F)=N1 24135 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.2 OC1=CC=CC(CCl)=C1 D84184 [0,1,0,0,0,1|1,1,0]=4 117 B9R1.3 CC1=NC=CC(Cl)=C1Cl AT26557 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.34 CC1=CC(C)=CC(O)=C1 D89931 [0,1,0,0,0,1|1,1,0]=4 119 B9R1.34 CC1=CC(I)=CC(Br)=C1 97499 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.34 CC1=NC(N)=CC(=O)N1 D88439 [0,1,0,0,0,1|1,1,0]=4 121 B9R1.34 CC1=NC(O)=CC(Cl)=N1 W18545 [0,1,0,0,0,1|1,1,0]=4 122 B9R1.69 CC1=C(C)C=C([S-])C=C1 D90179 [0,1,0,0,0,1|1,0,1]=4 123 B9R1.69 CC1=C(F)C=CC(S)=C1 76113 [0,1,0,0,0,1|1,0,0]=3 124 B9R1.69 CC1=C(I)C=CC(Br)=N1 I11230 [0,1,0,0,0,1|2,0,0]=4 125 B9R1.69 CC1=C(N)C=CC(Cl)=C1 D89231 [0,1,0,0,0,1|2,0,0]=4 126 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 36893 [0,1,0,0,0,1|2,0,0]=4 127 B9R1.69 CC1=CC=C(F)C(F)=N1 22779 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.69 CC1=CC=C(N)C(F)=N1 F14968 [0,1,0,0,0,1|2,0,0]=4 129 B9R1.69 CC1=CC=C(N)C(N)=N1 E71848 [0,1,0,0,0,1|2,0,0]=4 130 B9R1.69 CC1=NC(Cl)=C(I)C=C1 D87031 [0,1,0,0,0,1|2,0,0]=4 131 B9R1.69 FC1=C(Br)C=CC(S)=C1 89754 [0,1,0,0,0,1|2,0,0]=4 132 B9R1.69 FC1=C(Cl)C=C(S)C=C1 34557 [0,1,0,0,0,1|2,0,0]=4 133 B9R1.69 FC1=CC(S)=C(F)C=C1 C13372 [0,1,0,0,0,1|2,0,0]=4 134 B9R1.15 CC1=C(CCl)C=CC=C1 22011 [0,1,0,0,0,1|2,0,0]=4 135 B9R1.15 CC1=C(CN)C=CN=C1 F30519 [0,1,0,0,0,1|2,0,0]=4 136 B9R1.15 CC1=C(CS)C=CC=C1 AT13699 [0,1,0,0,0,1|1,0,0]=3 137 B9R1.15 CCC1=C(N)C=CC=C1 CK1167 [0,1,0,0,0,1|2,0,0]=4 138 B9R1.15 CCC1=C([S-])C=CC=C1 D90553 [0,1,0,0,0,1|1,0,1]=4 139 B9R1.15 CNC1=C(Br)C=NC=C1 N10505 [0,1,0,0,0,1|2,0,0]=4 140 B9R1.15 COC1=CC=CN=C1I D73279 [0,1,0,0,0,1|2,0,0]=4 141 B9R1.15 COC1=NC=CN=C1I H10462 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.15 CSC1=C(F)C=CC=C1 D90680 [0,1,0,0,0,1|2,0,0]=4 143 B9R1.15 ClC1=C(CBr)C=CC=N1 A10611 [0,1,0,0,0,1|2,0,0]=4 144 B9R1.15 ClCC1=C(Br)C=CC=C1 H11765 [0,1,0,0,0,1|2,0,0]=4 145 B9R1.15 FC1=C(CS)C=CC=C1 AT13683 [0,1,0,0,0,1|2,0,0]=4 146 B9R1.15 FC1=CC=CN=C1CBr P13399 [0,1,0,0,0,1|2,0,0]=4 147 B9R1.15 N#CC1=CC=CN=C1S 93688 [0,1,0,0,0,1|1,0,1]=4 148 B9R1.15 NCC1=C(O)C=CC=C1 O10497 [0,1,0,0,0,1|1,1,0]=4 149 B9R1.15 OCC1=C(O)C=CC=N1 S12139 [0,1,0,0,0,1|1,1,0]=4 150 B9R1.22 CC1=CC(C=O)=C(C)N1 AT16327 [0,2,0,0,0,0|1,1,0]=4 151 B9R1.22 CC1=CC(CO)=C(C)O1 H10999 [0,2,0,0,0,0|0,1,0]=3 152 B9R1.22 CC1=NC(C)=C(CO)O1 33335 [0,2,0,0,0,0|2,0,0]=4 153 B9R1.41 CC(=O)C1=C(Cl)C=CS1 29879 [0,2,0,0,0,0|1,1,0]=4 154 B9R1.41 CC1=C(C(N)=O)C=NO1 AC2086 [0,2,0,0,0,0|1,1,0]=4 155 B9R1.132 CC1=C(C)C(CO)=CS1 AT16770 [0,2,0,0,0,0|1,1,0]=4 156 B9R1.23 CC1=C(C)SC(C=O)=C1 AT16723 [0,2,0,0,0,0|1,1,0]=4 157 B9R1.37 CC1=C(C)C(C)=C(C)N1 11517 [0,2,0,0,0,0|2,0,0]=4 158 B7R1.3 CC1=CCC=CC1 D91336 [0,0,1,1,0,0|2,0,0]=4 159 B7R1.24 C1=CC=CCC=C1 D89271 [0,0,1,1,0,0|2,0,0]=4 160 B9R2.50 C1=CC2=C(C=C1)CC2 F15000 [0,0,0,1,0,1|2,0,0]=4