0 B7R1.4 BrC1=NNC=C1I PHB00279 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 CC1=C(CCC1)Br T256854 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 CC1=CCCC1O T295310 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.4 CC1=NNC=C1I BML00217 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.4 CN1C=CN=C1I ANV00120 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.4 CN1C=CN=C1I CDS005078 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.4 CN1C=CN=C1N CBR02443 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.4 CN1C=CSC1=N S945749 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.4 CN1N=CC=C1Br CBR02073 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.4 IC1=CSC=C1I R254975 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.4 NC1=C(NN=C1)N CBR02117 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,0,0|2,1,0]=4 17 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,0,0|0,1,0]=2 19 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 ClC1=CNN=C1 CDS019988 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,0,0|1,0,0]=2 25 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.11 CC1=C(NC=N1)CN CBR01683 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.11 CC1=NON=C1CN CDS002297 [0,1,0,0,0,0|2,1,0]=4 32 B8R1.11 CN1C=CN=C1CN CDS002678 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.11 CN1C=CN=C1CO CDS014909 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.11 CN1C=NN=C1CCl CBR02431 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.11 CN1C=NN=C1CO CBR02167 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.11 CN1N=CC=C1CBr CDS023901 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.18 CC1=NN(C=C1N)C CDS015732 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.50 BrC1=CSC(=C1Br)Br L132055 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.50 CC1=C(C(=NN1)Br)Br S939463 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.50 CC1=C(C(=NO1)N)C SYX00035 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.50 CC1=CC=[N+](N1C)C R461717 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.50 CC1=NNC(=C1N)C L203173 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.50 CC1=NNC(=C1O)C S720429 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.50 CC1=NOC(=O)C1C PH007712 [0,1,0,0,0,0|1,1,1]=4 52 B8R1.50 CN1C(=CN=C1I)I SYX00402 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 CC/C=C(\C)/CC R289574 [0,0,1,0,0,0|1,0,2]=4 54 B6R0.1 CC/C=C(\C)/CC R289582 [0,0,1,0,0,0|1,0,2]=4 55 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [0,0,1,0,0,0|3,0,0]=4 56 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [0,0,1,0,0,0|3,0,0]=4 57 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [0,0,1,0,0,0|1,1,0]=3 58 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,0,0,0,0,1|3,0,0]=4 59 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,0,0,0,0,1|2,0,0]=3 60 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,0,0,0,1|2,0,1]=4 63 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,0,0,0,0,1|2,0,0]=3 64 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,0,0,0,0,1|2,0,0]=3 67 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,0,0,0,0,1|2,0,0]=3 68 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [0,0,0,0,0,1|3,0,0]=4 70 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,0,0,0,0,1|3,0,0]=4 72 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,0,0,0,0,1|3,0,0]=4 78 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,0,0,0,0,1|3,0,0]=4 79 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,0,0,0,0,1|3,0,0]=4 80 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,0,0,0,0,1|3,0,0]=4 81 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,0,0,0,0,1|3,0,0]=4 83 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [0,0,0,0,0,1|2,0,0]=3 84 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [0,0,0,0,0,1|3,0,0]=4 85 B8R1.5 CC1=CN=CC=C1N CDS003217 [0,0,0,0,0,1|2,0,0]=3 86 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [0,0,0,0,0,1|3,0,0]=4 87 B8R1.5 CC1=NC=CN=C1S PH014228 [0,0,0,0,0,1|3,0,0]=4 88 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [0,0,0,0,0,1|3,0,0]=4 89 B8R1.5 C[N+]1=CC=CN=C1N S142433 [0,0,0,0,0,1|3,0,0]=4 90 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [0,0,0,0,0,1|3,0,0]=4 91 B8R1.5 FC1=CC=CN=C1I ADE000285 [0,0,0,0,0,1|3,0,0]=4 92 B8R1.5 FC1=CN=CN=C1S S217271 [0,0,0,0,0,1|3,0,0]=4 93 B8R1.5 IC1=CC=CN=C1I ADE000256 [0,0,0,0,0,1|3,0,0]=4 94 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [0,0,0,0,0,1|3,0,0]=4 95 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [0,0,0,0,0,1|3,0,0]=4 96 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [0,0,0,0,0,1|3,0,0]=4 97 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [0,0,0,0,0,1|3,0,0]=4 98 B8R1.5 NC1=CC=CC=C1O S378569 [0,0,0,0,0,1|3,0,0]=4 99 B8R1.5 NC1=CC=CN=C1O CDS007860 [0,0,0,0,0,1|3,0,0]=4 100 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [0,0,0,0,0,1|3,0,0]=4 101 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,0,0,0,0,1|3,0,0]=4 102 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [0,0,0,0,0,1|3,0,0]=4 103 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [0,0,0,0,0,1|3,0,0]=4 104 B8R1.5 OC1=CN=CC=C1Br CDS021897 [0,0,0,0,0,1|3,0,0]=4 105 B8R1.5 OC1=NC=CC=C1F CDS019950 [0,0,0,0,0,1|3,0,0]=4 106 B5R0.1 C=C(C)CSC S866024 [1,0,1,0,0,0|0,0,2]=4 107 B5R0.1 CC(=O)/C=C\N S312274 [1,0,1,0,0,0|2,0,0]=4 108 B5R0.5 C=C(C)C(=O)C CDS000556 [1,0,1,0,0,0|0,1,0]=3 109 B5R0.5 C=C(C)C(=O)[O-] S457930 [1,0,1,0,0,0|1,1,0]=4 110 B5R0.5 C=C(C)C(=O)[O-] S460389 [1,0,1,0,0,0|1,1,0]=4 111 B5R0.5 C=C(C)C(=O)[O-] S461806 [1,0,1,0,0,0|1,1,0]=4 112 B5R0.5 C=C(C)C(C)O T277479 [1,0,1,0,0,0|0,1,1]=4 113 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,1,1,0,0,0|0,1,1]=4 114 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,1,1,0,0,0|0,1,1]=4 115 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,1,1,0,0,0|1,0,1]=4 116 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,1,0,0,0,0|0,0,0]=2 117 B7R1.1 CCC1=CNN=C1 CBR01738 [1,1,0,0,0,0|2,0,0]=4 118 B7R1.1 CSC1=CC=CS1 R436550 [1,1,0,0,0,0|2,0,0]=4 119 B7R1.1 ClCC1=CN=CS1 CBR02473 [1,1,0,0,0,0|2,0,0]=4 120 B7R1.1 ClCC1=CNC=N1 CBR00821 [1,1,0,0,0,0|2,0,0]=4 121 B7R1.1 ClCC1=CSC=N1 SYX00282 [1,1,0,0,0,0|1,0,0]=3 122 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [1,1,0,0,0,0|1,1,0]=4 123 B7R1.1 NCC1=CN=CS1 CDS007657 [1,1,0,0,0,0|2,0,0]=4 124 B7R1.1 NCC1=COC=C1 CDS008929 [1,1,0,0,0,0|0,1,0]=3 125 B7R1.1 NCC1=CSN=N1 CDS019170 [1,1,0,0,0,0|2,0,0]=4 126 B7R1.1 OCC1=CC=CN1 CDS009556 [1,1,0,0,0,0|2,0,0]=4 127 B7R1.1 OCC1=CN=CS1 CDS004659 [1,1,0,0,0,0|2,0,0]=4 128 B7R1.1 OCC1=CNN=C1 CDS015812 [1,1,0,0,0,0|2,0,0]=4 129 B7R1.1 OCC1=NOC=C1 PHB00207 [1,1,0,0,0,0|1,1,0]=4 130 B7R1.1 SCC1=CC=CS1 CDS000069 [1,1,0,0,0,0|2,0,0]=4 131 B7R1.2 BrC1=COC(=C1)Br T266507 [1,1,0,0,0,0|1,1,0]=4 132 B7R1.2 CC1=CSC(=N1)Br CDS007616 [1,1,0,0,0,0|1,0,0]=3 133 B7R1.2 CC1=CSC(=N1)N S366536 [1,1,0,0,0,0|1,0,0]=3 134 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,1,0,0,0,0|2,0,0]=4 135 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [1,1,0,0,0,0|2,0,0]=4 136 B7R1.2 ClC1=CSC(=N1)Cl KOB0068 [1,1,0,0,0,0|2,0,0]=4 137 B7R1.2 ClC1=NC(=CS1)Br SYX00210 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,1|2,0,0]=4 139 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,0,0,1|1,0,1]=4 140 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,1|2,0,0]=4 141 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,1|1,0,0]=3 143 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,1|1,0,0]=3 144 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,1|2,0,0]=4 145 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [0,1,0,0,0,1|2,0,0]=4 146 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,1|1,0,1]=4 147 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,1|1,0,0]=3 148 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,1,0,0,0,1|2,0,0]=4 149 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,1|2,0,0]=4 150 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,1|1,0,0]=3 151 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,1|2,0,0]=4 152 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,1|2,0,0]=4 153 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,1|2,0,0]=4 154 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,1|2,0,0]=4 155 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,1|2,0,0]=4 157 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,1,0,0,0,1|2,0,0]=4 158 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,1|2,0,0]=4 159 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,1|2,0,0]=4 160 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,1|2,0,0]=4 163 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,1|2,0,0]=4 164 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,1|2,0,0]=4 165 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,1|2,0,0]=4 166 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,1|2,0,0]=4 167 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,1|2,0,0]=4 168 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,1|2,0,0]=4 169 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,1,0,0,0,1|2,0,0]=4 170 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,1,0,0,0,1|2,0,0]=4 171 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,1,0,0,0,1|2,0,0]=4 172 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,1,0,0,0,1|2,0,0]=4 173 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,1,0,0,0,1|1,0,0]=3 174 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,1,0,0,0,1|1,0,0]=3 175 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,1,0,0,0,1|0,1,0]=3 176 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,1,0,0,0,1|2,0,0]=4 177 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,1,0,0,0,1|1,0,0]=3 178 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,1,0,0,0,1|1,0,0]=3 179 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,1,0,0,0,1|2,0,0]=4 180 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,1,0,0,0,1|2,0,0]=4 181 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,1,0,0,0,1|2,0,0]=4 182 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,1,0,0,0,1|1,0,0]=3 183 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,1,0,0,0,1|2,0,0]=4 184 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,1,0,0,0,1|1,0,0]=3 185 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,1,0,0,0,1|1,0,0]=3 186 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,1,0,0,0,1|1,0,0]=3 187 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,1,0,0,0,1|1,0,0]=3 188 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,1,0,0,0,1|2,0,0]=4 193 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,1,0,0,0,1|2,0,0]=4 194 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,1,0,0,0,1|1,0,0]=3 198 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,1,0,0,0,1|2,0,0]=4 202 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,1,0,0,0,1|2,0,0]=4 204 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,1,0,0,0,1|2,0,0]=4 205 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,1,0,0,0,1|2,0,0]=4 206 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,1,0,0,0,1|2,0,0]=4 207 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,1,0,0,0,1|2,0,0]=4 208 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,1,0,0,0,1|1,0,0]=3 210 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,1,0,0,0,1|1,0,0]=3 211 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,1,0,0,0,1|1,0,0]=3 219 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [0,1,0,0,0,1|1,0,1]=4 221 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.15 CC1=C(C=NC=N1)C#N CBR01753 [0,1,0,0,0,1|1,0,1]=4 224 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,1,0,0,0,1|1,0,0]=3 225 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,1,0,0,0,1|1,0,0]=3 226 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,1,0,0,0,1|1,0,0]=3 227 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,1,0,0,0,1|1,0,1]=4 228 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,1,0,0,0,1|1,0,0]=3 229 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,1,0,0,0,1|1,0,0]=3 230 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,1,0,0,0,1|2,0,0]=4 231 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,1,0,0,0,1|2,0,0]=4 232 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,1,0,0,0,1|2,0,0]=4 233 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,1,0,0,0,1|2,0,0]=4 234 B9R1.15 COC1=C(CC=CC1)C S864811 [0,1,0,0,0,1|1,0,1]=4 235 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,1,0,0,0,1|2,0,0]=4 236 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,1,0,0,0,1|2,0,0]=4 237 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,1,0,0,0,1|2,0,0]=4 238 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,1,0,0,0,1|2,0,0]=4 239 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,1,0,0,0,1|2,0,0]=4 240 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,1,0,0,0,1|2,0,0]=4 242 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,1,0,0,0,1|2,0,0]=4 243 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,1,0,0,0,1|2,0,0]=4 244 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,1,0,0,0,1|2,0,0]=4 245 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,1,0,0,0,1|2,0,0]=4 246 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,1,0,0,0,1|2,0,0]=4 247 B9R1.15 OCC1=NC=CC=C1O R578177 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.14 CCN1C=NC=C1CCl CBR00851 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.22 CC1=CC(=C(O1)C)CN CDS016961 [0,2,0,0,0,0|2,0,0]=4 250 B9R1.22 CC1=NN(C=C1CCl)C CBR01550 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.27 CC1=NNC(=C1CN)C CBR00698 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.27 CC1=NNC(=C1CN)C OTV000648 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.27 CC1=NNC(=C1CO)C CBR01589 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.27 CC1=NOC(=C1CBr)C CDS019604 [0,2,0,0,0,0|1,1,0]=4 255 B9R1.27 CC1=NOC(=C1CN)C CBR01039 [0,2,0,0,0,0|1,1,0]=4 256 B9R1.27 CC1=NOC(=C1CN)C CDS016657 [0,2,0,0,0,0|1,1,0]=4 257 B9R1.27 CCC1=C(NN=C1C)N CBR00836 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.27 CC[N+]1=C(SC=C1C)C S390151 [0,2,0,0,0,0|1,0,0]=3 259 B9R1.33 CC1=C(SC=C1)CCN CBR01050 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.33 CN1C=CC=C1CC#N CBR02122 [0,2,0,0,0,0|2,0,0]=4 261 B9R1.33 CN1C=CC=C1CCN CBR01483 [0,2,0,0,0,0|2,0,0]=4 262 B9R1.33 CN1C=NC=C1CC#N CBR01695 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.33 CN1C=NC=C1CNN PH019113 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.33 CNCC1=C(NN=C1)C CBR01558 [0,2,0,0,0,0|2,0,0]=4 265 B9R1.33 N(C)CC1=CC=CN1C T316350 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.41 CC(=O)C1=C(NN=C1)C CBR01622 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,2,0,0,0,0|1,0,0]=3 268 B9R1.41 CC1=NSC=C1C(=O)O CVT00118 [0,2,0,0,0,0|1,0,1]=4 269 B9R1.132 C/N=C/1\SSC(=S)N1C PH005151 [0,2,0,0,0,0|2,0,0]=4 270 B9R1.132 CC1=C(C(=CS1)CO)C TMT00539 [0,2,0,0,0,0|0,0,0]=2 271 B9R1.132 CC1=C(C=NN1C)CCl CBR01537 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.132 CCC1=NNC(=C1C)N CBR00790 [0,2,0,0,0,0|2,0,0]=4 273 B9R1.132 CCC1=NOC(=C1C)N CBR00451 [0,2,0,0,0,0|1,1,0]=4 274 B9R1.37 BrC1=C(C(=C(S1)Br)I)I S843636 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,2,0,0,0,0|0,1,0]=3 276 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.37 CC1=C(SC(=C1I)I)I S652946 [0,2,0,0,0,0|1,0,0]=3 278 B9R1.37 CN1C(=S)SC(=S)N1C S274046 [0,2,0,0,0,0|2,0,0]=4 279 B9R1.37 ClC1=C(C(=C(S1)I)Cl)Cl S824925 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.37 IC1=C(C(=C(S1)I)I)I S355828 [0,2,0,0,0,0|2,0,0]=4 281 B7R1.24 C1=CCCC=CC1 T178241 [0,0,1,1,0,0|1,0,0]=3 282 B9R2.3 C1=C2CNCC2=NN1 MNO000144 [0,1,0,1,0,0|2,0,0]=4 283 B9R2.3 C1=NNC2=C1CCC2 CBR01038 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,0,0,0,0,2|1,0,1]=4