0 B6R1.2 BrC1=CC=CO1 P37236 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1=CC=NN1 G-7014 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 BrC1=CN=CS1 P38940 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CSN=C1 P51086 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 BrC1=NC=NS1 O33981 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 BrC1=NN=CS1 G-7144 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 BrC1=NSC=C1 O31504 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 CC1=CNC=C1 L13609 [0,0,0,0,0,0|1,0,0]=1 8 B6R1.2 CC1=CNN=C1 M22981 [0,0,0,0,0,0|0,0,0]=0 9 B6R1.2 CC1=COC=C1 10706 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 CC1=COC=N1 M15472 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 CC1CCNC1 M22664 [0,0,0,0,0,0|1,0,3]=4 12 B6R1.2 CN1C=CC=N1 G-7493 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 CN1C=CN=N1 O30707 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 C[C@@H]1CCNC1 L13628 [0,0,0,0,0,0|1,0,3]=4 15 B6R1.2 C[C@H]1CCNC1 L14084 [0,0,0,0,0,0|1,0,3]=4 16 B6R1.2 ClC1=CC=NN1 I-9279 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 ClC1=CNC=N1 F-4664 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 ClC1=CSC=N1 L13978 [0,0,0,0,0,0|4,0,0]=4 19 B6R1.2 ClC1=NC=NS1 O33984 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 ClC1=NSC=C1 K10869 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 FC1=CC=NN1 L13110 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 FC1=CCNC1 Q63558 [0,0,0,0,0,0|2,0,1]=3 23 B6R1.2 FC1=CN=CN1 L22294 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 FC1=CNN=C1 H-8311 [0,0,0,0,0,0|1,0,0]=1 25 B6R1.2 IC1=CNC=N1 A-910 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 IC1=CNN=C1 I-9182 [0,0,0,0,0,0|1,0,0]=1 27 B6R1.2 IC1=COCC1 Q53484 [0,0,0,0,0,0|3,0,1]=4 28 B6R1.2 IC1=NNC=C1 H-8099 [0,0,0,0,0,0|3,0,0]=3 29 B6R1.2 IN1C=CN=C1 O30042 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 NC1=CC=NN1 A-809 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 NC1=CN=CS1 O30332 [0,0,0,0,0,0|3,0,0]=3 32 B6R1.2 NC1=CN=CS1 P44438 [0,0,0,0,0,0|3,0,0]=3 33 B6R1.2 NC1=CNC=N1 O32717 [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 NC1=CNN=C1 L18482 [0,0,0,0,0,0|1,0,0]=1 35 B6R1.2 NC1=CNN=C1 Q51928 [0,0,0,0,0,0|1,0,0]=1 36 B6R1.2 NC1=CSN=C1 L22383 [0,0,0,0,0,0|2,0,0]=2 37 B6R1.2 NC1=NOC=C1 C-3347 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 NN1C=CC=C1 G-5643 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 NN1C=CN=N1 H-8057 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 O=C1C=CSN1 K10928 [0,0,0,0,0,0|4,0,0]=4 41 B6R1.2 O=C1CCNC1 C-2247 [0,0,0,0,0,0|2,0,2]=4 42 B6R1.2 O=C1CCNC1 S72535 [0,0,0,0,0,0|2,0,2]=4 43 B6R1.2 S=C1NC=NN1 F-4888 [0,0,0,0,0,0|4,0,0]=4 44 B6R1.2 SC1=CSC=C1 O29467 [0,0,0,0,0,0|3,0,0]=3 45 B5R1.1 C1=COC=N1 G-5929 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.1 BrCC1=CCCC1 G-5335 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 BrCC1=CNC=N1 O32596 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 BrCC1=CNC=N1 O32597 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.1 BrCC1=COC=C1 O29970 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.1 BrCC1=CSC=C1 Q68601 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.1 BrCC1=NC=NO1 L19388 [0,1,0,0,0,0|3,0,0]=4 52 B7R1.1 C#CC1=CN=CN1 O32116 [0,1,0,0,0,0|2,0,1]=4 53 B7R1.1 C#CC1=CNN=C1 I-9969 [0,1,0,0,0,0|0,0,1]=2 54 B7R1.1 C(=O)C1=CN=CS1 Q52103 [0,1,0,0,0,0|2,0,1]=4 55 B7R1.1 C=CC1=CN=CN1 O30402 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 C=CC1=NNC=C1 L18271 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 COC1=CNN=C1 L18281 [0,1,0,0,0,0|0,0,0]=1 58 B7R1.1 COC1=NNC=C1 Q61554 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.1 CSC1=CC=CS1 Q67758 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.1 ClCC1=CC=CS1 G-5616 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.1 ClCC1=CN=CS1 O30160 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.1 ClCC1=CN=CS1 O31671 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.1 FCC1=CNN=C1 Q63595 [0,1,0,0,0,0|0,0,0]=1 64 B7R1.1 N#CC1=CNN=C1 G-6055 [0,1,0,0,0,0|0,0,1]=2 65 B7R1.1 N#CC1=CNN=N1 L20554 [0,1,0,0,0,0|1,0,1]=3 66 B7R1.1 N#CC1=CSN=C1 P51182 [0,1,0,0,0,0|1,0,1]=3 67 B7R1.1 N#CC1=NNC=C1 O30815 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.1 NCC1=CC=NN1 O30495 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 NCC1=CN=CN1 L14627 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.1 NCC1=CN=CO1 L14202 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.1 NCC1=CN=CS1 G-7859 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.1 NCC1=CN=CS1 L18064 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.1 NCC1=CN=CS1 O30515 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.1 NCC1=CNC=N1 O30218 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 NCC1=CNN=C1 G-6808 [0,1,0,0,0,0|0,0,0]=1 76 B7R1.1 NCC1=CNN=C1 L13681 [0,1,0,0,0,0|0,0,0]=1 77 B7R1.1 NCC1=CNN=C1 Q51915 [0,1,0,0,0,0|0,0,0]=1 78 B7R1.1 NCC1=COC=C1 O34052 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.1 NCC1=COC=N1 G-6098 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.1 NCC1=COC=N1 G-6099 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.1 NCC1=CON=C1 L14503 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.1 NCC1=CSC=N1 L14160 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.1 NCC1=NN=CS1 I-9693 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.1 NCC1=NNN=N1 P51449 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 NCC1=NOC=C1 G-6132 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.1 NCC1=NOC=C1 L14199 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.1 O=CC1=CN=CO1 I-9061 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.1 O=CC1=CNN=C1 C-2878 [0,1,0,0,0,0|0,0,1]=2 89 B7R1.1 O=CC1=CNN=C1 G-5044 [0,1,0,0,0,0|0,0,1]=2 90 B7R1.1 O=CC1=NNC=C1 O31194 [0,1,0,0,0,0|2,0,1]=4 91 B7R1.1 OCC1=CN=CN1 O33324 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.1 OCC1=CNN=C1 C-2849 [0,1,0,0,0,0|0,0,0]=1 93 B7R1.1 OCC1=COC=N1 G-6097 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.1 OCC1=CSC=N1 O30740 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.1 OCC1=NNC=C1 G-5586 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.1 OCC1=NNN=N1 F-4851 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.1 OCC1=NOC=C1 G-7175 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.2 BrC1=CC(Br)=NN1 L21299 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.2 BrC1=CN=C(I)N1 O33384 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.2 BrC1=NC=C(I)S1 N25511 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.2 CC1=CC(N)=NN1 G-7311 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.2 CC1=CN(C)N=N1 Q53687 [0,1,0,0,0,0|1,0,0]=2 103 B7R1.2 CC1=CSC(Cl)=N1 O30642 [0,1,0,0,0,0|3,0,0]=4 104 B7R1.2 CC1=CSC(N)=C1 G-5634 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.2 CC1=NC(=O)NN1 O30153 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.2 CC1=NN(C)C=C1 A-857 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.2 CC1=NN=C(C)N1 C-2341 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.2 CC1=NNC(=S)N1 Q69348 [0,1,0,0,0,0|3,0,0]=4 109 B7R1.2 CC1=NNC(Br)=C1 O34436 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.2 CC1=NNC(Cl)=C1 G-5332 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.2 CC1=NNC(O)=C1 I-9200 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.2 CN1C=C(I)C=N1 A-966 [0,1,0,0,0,0|1,0,0]=2 113 B7R1.2 CN1C=C(N)C=N1 A-868 [0,1,0,0,0,0|1,0,0]=2 114 B7R1.2 CN1C=CC(=O)N1 Q61559 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.2 CN1C=CC(Br)=C1 F-4804 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.2 CN1C=CC(Br)=N1 G-5994 [0,1,0,0,0,0|3,0,0]=4 117 B7R1.2 CN1C=CC(Cl)=N1 Q69919 [0,1,0,0,0,0|3,0,0]=4 118 B7R1.2 CN1C=CC(I)=N1 F-4236 [0,1,0,0,0,0|3,0,0]=4 119 B7R1.2 CN1C=CC(N)=N1 I-9167 [0,1,0,0,0,0|3,0,0]=4 120 B7R1.2 CN1C=C[N+](C)=C1 I-9087 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.2 CN1C=NC(I)=C1 A-967 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.2 ClC1=CN=C(Cl)S1 L14230 [0,1,0,0,0,0|3,0,0]=4 123 B7R1.2 ClC1=NC=C(Br)S1 O31645 [0,1,0,0,0,0|3,0,0]=4 124 B7R1.2 FC1=CN=C(Br)S1 L14516 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.2 NC1=CC(Br)=NN1 G-7773 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.2 NC1=CC(Cl)=NN1 G-6962 [0,1,0,0,0,0|3,0,0]=4 127 B7R1.2 NC1=CC(N)=NN1 Q61563 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.2 NC1=CSC(Br)=C1 L13953 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.2 NC1=CSC(Br)=C1 O33601 [0,1,0,0,0,0|3,0,0]=4 130 B7R1.2 NC1=CSC(Cl)=C1 G-5064 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.2 NC1=NC=C(Cl)S1 G-6676 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.2 NC1=NC=C(Cl)S1 Q69570 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.2 NC1=NC=C(F)S1 G-6677 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.2 NC1=NC=C(F)S1 L13771 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.2 NC1=NNC(F)=C1 G-7052 [0,1,0,0,0,0|3,0,0]=4 136 B7R1.2 O=C1C=C(Br)CN1 H-8451 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.2 OC1=NSC(Cl)=C1 K10877 [0,1,0,0,0,0|3,0,0]=4 138 B7R1.4 BrC1=CNN=C1Br O29313 [0,1,0,0,0,0|1,0,0]=2 139 B7R1.4 BrC1=CSC=C1I N24538 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.4 BrC1=NNC=C1I I-9103 [0,1,0,0,0,0|1,0,0]=2 141 B7R1.4 CC1=C(Br)C=CS1 Q67355 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.4 CC1=C(Br)SC=N1 O31826 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.4 CC1=C(C)NN=C1 Q55565 [0,1,0,0,0,0|0,0,0]=1 144 B7R1.4 CC1=C(Cl)NC=N1 Q54649 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.4 CC1=C(N)NN=C1 F-4795 [0,1,0,0,0,0|0,0,0]=1 146 B7R1.4 CC1=C(N)SC=N1 O29410 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.4 CC1=CNC=C1C C-3629 [0,1,0,0,0,0|1,0,0]=2 148 B7R1.4 CC1=CNN=C1Br G-5785 [0,1,0,0,0,0|0,0,0]=1 149 B7R1.4 CC1=CNN=C1Cl Q61499 [0,1,0,0,0,0|0,0,0]=1 150 B7R1.4 CC1=CSC=C1Br Q66876 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.4 CC1=CSC=C1C Q70046 [0,1,0,0,0,0|2,0,0]=3 152 B7R1.4 CC1=CSC=C1N L14926 [0,1,0,0,0,0|2,0,0]=3 153 B7R1.4 CC1=NNC=C1Br I-9173 [0,1,0,0,0,0|1,0,0]=2 154 B7R1.4 CC1CCNC1=O O30375 [0,1,0,0,0,0|1,0,2]=4 155 B7R1.4 CN1C=CN=C1Cl O31866 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.4 CN1C=CN=C1I M22900 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.4 CN1C=CN=C1N K13502 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.4 CN1C=NC=C1I M15588 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.4 CN1CCNC1=S O29860 [0,1,0,0,0,0|2,0,1]=4 160 B7R1.4 CN1N=CC=C1Cl Q61745 [0,1,0,0,0,0|3,0,0]=4 161 B7R1.4 CN1N=CN=C1Br A-691 [0,1,0,0,0,0|3,0,0]=4 162 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,1,0,0,0,0|1,0,2]=4 163 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,1,0,0,0,0|1,0,2]=4 164 B7R1.4 ClC1=C(Br)N=CN1 L20326 [0,1,0,0,0,0|3,0,0]=4 165 B7R1.4 ClC1=C(Br)NN=C1 P45851 [0,1,0,0,0,0|1,0,0]=2 166 B7R1.4 ClC1=C(I)SC=C1 Q53198 [0,1,0,0,0,0|3,0,0]=4 167 B7R1.4 FC1=CNC=C1F K10900 [0,1,0,0,0,0|2,0,0]=3 168 B7R1.4 FC1=CNN=C1Br P47761 [0,1,0,0,0,0|1,0,0]=2 169 B7R1.4 FC1=NNC=C1Br L14397 [0,1,0,0,0,0|1,0,0]=2 170 B7R1.4 NC1=C(Br)C=CS1 M15148 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.4 NC1=C(Br)C=NN1 I-9196 [0,1,0,0,0,0|1,0,0]=2 172 B7R1.4 NC1=CNN=C1Cl P51503 [0,1,0,0,0,0|1,0,0]=2 173 B7R1.4 NC1=CNN=C1N C-2387 [0,1,0,0,0,0|1,0,0]=2 174 B7R1.4 NC1=CNN=C1N L13646 [0,1,0,0,0,0|1,0,0]=2 175 B7R1.4 NC1=CSC=C1Br L14406 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.4 NC1=NOC=C1Cl K10958 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.4 O=C1CCC=C1O A-670 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.4 O=C1CCNC1=O Q62042 [0,1,0,0,0,0|2,0,1]=4 179 B5R0.1 C=C(C)CON P51484 [0,0,1,0,0,0|1,0,1]=3 180 B5R0.3 C=CC(C)ON P51545 [0,0,1,0,0,0|2,0,1]=4 181 B5R1.2 CC1CCN1 M22690 [0,0,0,0,1,0|1,0,2]=4 182 B5R1.2 CC1CCN1 P44577 [0,0,0,0,1,0|1,0,2]=4 183 B5R1.2 CC1CNC1 C-2879 [0,0,0,0,1,0|0,0,3]=4 184 B5R1.2 C[C@@H]1CCN1 P45172 [0,0,0,0,1,0|1,0,2]=4 185 B5R1.2 C[C@H]1CCN1 P44797 [0,0,0,0,1,0|1,0,2]=4 186 B5R1.2 O=C1CCN1 P35040 [0,0,0,0,1,0|2,0,1]=4 187 B5R1.2 O=C1CNC1 C-2452 [0,0,0,0,1,0|1,0,2]=4 188 B7R1.3 BrC1=CCCNC1 Q65300 [0,0,0,0,0,1|2,0,1]=4 189 B7R1.3 BrC1=NC=CN=C1 P37390 [0,0,0,0,0,1|2,0,0]=3 190 B7R1.3 BrC1=NN=CC=C1 P44437 [0,0,0,0,0,1|3,0,0]=4 191 B7R1.3 CC1=CC=CN=N1 G-5190 [0,0,0,0,0,1|2,0,0]=3 192 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,0,0,1|1,0,1]=3 193 B7R1.3 CC1=CCNCC1 I-9119 [0,0,0,0,0,1|1,0,1]=3 194 B7R1.3 CC1=CN=CN=C1 O30773 [0,0,0,0,0,1|0,0,1]=2 195 B7R1.3 CC1=CN=NC=C1 G-5111 [0,0,0,0,0,1|0,0,1]=2 196 B7R1.3 CC1=NC=CC=N1 Q60049 [0,0,0,0,0,1|3,0,0]=4 197 B7R1.3 CC1=NC=NC=C1 G-5230 [0,0,0,0,0,1|1,0,0]=2 198 B7R1.3 ClC1=CC=NC=N1 C-2370 [0,0,0,0,0,1|2,0,0]=3 199 B7R1.3 ClC1=NN=CC=C1 C-2294 [0,0,0,0,0,1|3,0,0]=4 200 B7R1.3 IC1=CC=NN=C1 H-8636 [0,0,0,0,0,1|1,0,1]=3 201 B7R1.3 NC1=CC=CN=N1 C-3290 [0,0,0,0,0,1|3,0,0]=4 202 B7R1.3 NC1=CC=NN=C1 C-3725 [0,0,0,0,0,1|1,0,1]=3 203 B7R1.3 NC1=CN=NC=C1 L13627 [0,0,0,0,0,1|1,0,1]=3 204 B7R1.3 O=C1C=CC=NN1 C-2425 [0,0,0,0,0,1|3,0,0]=4 205 B7R1.3 O=C1C=CN=CN1 C-2283 [0,0,0,0,0,1|2,0,0]=3 206 B7R1.3 OC1=CC=NN=C1 H-8637 [0,0,0,0,0,1|1,0,1]=3 207 B7R1.3 OC1=CN=CN=C1 I-9410 [0,0,0,0,0,1|1,0,1]=3 208 B7R1.3 OC1=CN=CN=C1 N25469 [0,0,0,0,0,1|1,0,1]=3 209 B7R1.3 SC1=CC=CN=C1 Q62383 [0,0,0,0,0,1|2,0,0]=3 210 B7R1.3 SC1=CN=CN=C1 Q65324 [0,0,0,0,0,1|1,0,1]=3 211 B7R1.3 [O-][N+]1=CC=NC=C1 A-838 [0,0,0,0,0,1|3,0,0]=4 212 B4R0.1 C=C(C)CN P39039 [1,0,1,0,0,0|0,0,1]=3 213 B4R0.1 CC(=O)CN P45193 [1,0,1,0,0,0|1,0,1]=4 214 B4R0.2 C=CCCN L22153 [1,0,1,0,0,0|1,0,1]=4 215 B4R0.2 C=CCNN O31326 [1,0,1,0,0,0|0,0,2]=4 216 B8R1.2 BrCC1=CC=CN=C1 P36550 [0,1,0,0,0,1|1,0,0]=3 217 B8R1.2 BrCC1=CN=CN=C1 Q65336 [0,1,0,0,0,1|0,0,1]=3 218 B8R1.2 BrCC1=NC=NC=C1 P51553 [0,1,0,0,0,1|1,0,0]=3 219 B8R1.2 C#CC1=CC=NC=C1 G-7546 [0,1,0,0,0,1|1,0,1]=4 220 B8R1.2 C#CC1=CC=NC=C1 L13525 [0,1,0,0,0,1|1,0,1]=4 221 B8R1.2 C#CC1=CN=CN=C1 M15518 [0,1,0,0,0,1|0,0,2]=4 222 B8R1.2 C#CC1=NC=CN=C1 O31505 [0,1,0,0,0,1|1,0,1]=4 223 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [0,1,0,0,0,1|0,0,2]=4 224 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [0,1,0,0,0,1|1,0,1]=4 225 B8R1.2 C(=O)C1=CN=CN=C1 A-903 [0,1,0,0,0,1|0,0,2]=4 226 B8R1.2 C=CC1=CC=CN=C1 O30687 [0,1,0,0,0,1|1,0,1]=4 227 B8R1.2 CNC1=CC=NC=N1 Q58573 [0,1,0,0,0,1|1,0,0]=3 228 B8R1.2 CNC1=CN=CN=C1 L13923 [0,1,0,0,0,1|0,0,1]=3 229 B8R1.2 CNC1=NN=CC=C1 O29994 [0,1,0,0,0,1|2,0,0]=4 230 B8R1.2 COC1=CN=CN=C1 M15459 [0,1,0,0,0,1|0,0,1]=3 231 B8R1.2 ClCC1=CC=CN=N1 C-2225 [0,1,0,0,0,1|2,0,0]=4 232 B8R1.2 ClCC1=CN=CC=N1 C-2219 [0,1,0,0,0,1|1,0,0]=3 233 B8R1.2 ClCC1=CN=CN=C1 C-2216 [0,1,0,0,0,1|0,0,1]=3 234 B8R1.2 ClCC1=NC=CN=C1 L14125 [0,1,0,0,0,1|1,0,0]=3 235 B8R1.2 ICC1=CC=CC=C1 P37031 [0,1,0,0,0,1|2,0,0]=4 236 B8R1.2 N#CC1=CC=NC=C1 Q58209 [0,1,0,0,0,1|1,0,1]=4 237 B8R1.2 N#CC1=CC=NN=C1 G-7534 [0,1,0,0,0,1|0,0,2]=4 238 B8R1.2 N#CC1=CN=CN=C1 C-3273 [0,1,0,0,0,1|0,0,2]=4 239 B8R1.2 NCC1=CC=CN=N1 L21914 [0,1,0,0,0,1|2,0,0]=4 240 B8R1.2 NCC1=CC=NC=C1 O30621 [0,1,0,0,0,1|1,0,0]=3 241 B8R1.2 NCC1=CC=NC=N1 C-2474 [0,1,0,0,0,1|1,0,0]=3 242 B8R1.2 NCC1=CC=NC=N1 L13752 [0,1,0,0,0,1|1,0,0]=3 243 B8R1.2 NCC1=CC=NN=C1 C-3221 [0,1,0,0,0,1|0,0,1]=3 244 B8R1.2 NCC1=CC=NN=C1 C-3221-01 [0,1,0,0,0,1|0,0,1]=3 245 B8R1.2 NCC1=CN=CN=C1 C-3222 [0,1,0,0,0,1|0,0,1]=3 246 B8R1.2 NCC1=CN=CN=C1 L14043 [0,1,0,0,0,1|0,0,1]=3 247 B8R1.2 NCC1=NC=CN=C1 C-3223 [0,1,0,0,0,1|1,0,0]=3 248 B8R1.2 NCC1=NN=CC=C1 C-2473 [0,1,0,0,0,1|2,0,0]=4 249 B8R1.2 NNC1=CC=CN=C1 C-3227 [0,1,0,0,0,1|2,0,0]=4 250 B8R1.2 NNC1=CC=NC=C1 C-3226 [0,1,0,0,0,1|2,0,0]=4 251 B8R1.2 NNC1=CC=NC=C1 L19135 [0,1,0,0,0,1|2,0,0]=4 252 B8R1.2 NNC1=CC=NC=C1 O31964 [0,1,0,0,0,1|2,0,0]=4 253 B8R1.2 NNC1=CN=CN=C1 Q56320 [0,1,0,0,0,1|1,0,1]=4 254 B8R1.2 NNC1=NC=CN=C1 C-2269 [0,1,0,0,0,1|2,0,0]=4 255 B8R1.2 NNC1=NC=NC=C1 O34192 [0,1,0,0,0,1|2,0,0]=4 256 B8R1.2 OCC1=CC=CN=N1 C-2224 [0,1,0,0,0,1|2,0,0]=4 257 B8R1.2 OCC1=CC=NC=N1 C-2228 [0,1,0,0,0,1|1,0,0]=3 258 B8R1.2 OCC1=CC=NN=C1 C-2213 [0,1,0,0,0,1|0,0,1]=3 259 B8R1.2 OCC1=CN=CC=N1 C-2217 [0,1,0,0,0,1|1,0,0]=3 260 B8R1.2 OCC1=CN=CN=C1 C-2215 [0,1,0,0,0,1|0,0,1]=3 261 B8R1.3 BrC1=CN=C(I)C=C1 G-5933 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.3 BrC1=CN=C(I)N=C1 G-7368 [0,1,0,0,0,1|1,0,1]=4 263 B8R1.3 BrC1=NC=C(I)N=C1 C-3475 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.3 CC1=CC=C(F)C=N1 P38896 [0,1,0,0,0,1|2,0,0]=4 265 B8R1.3 CC1=CN=C(Br)C=N1 H-8301 [0,1,0,0,0,1|1,0,0]=3 266 B8R1.3 CC1=CN=C(Cl)C=N1 O30352 [0,1,0,0,0,1|1,0,0]=3 267 B8R1.3 CC1=CN=C(Cl)N=C1 E-3097 [0,1,0,0,0,1|0,0,1]=3 268 B8R1.3 CC1=CN=C(I)C=C1 O29967 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.3 CC1=CN=C(N)C=N1 P37475 [0,1,0,0,0,1|1,0,0]=3 270 B8R1.3 CC1=NC=C(Br)C=N1 C-3601 [0,1,0,0,0,1|1,0,1]=4 271 B8R1.3 CC1=NC=C(N)C=N1 G-6756 [0,1,0,0,0,1|1,0,1]=4 272 B8R1.3 CC1=NC=C(O)C=N1 O33295 [0,1,0,0,0,1|1,0,1]=4 273 B8R1.3 CC1=NN=C(Br)C=C1 G-5747 [0,1,0,0,0,1|2,0,0]=4 274 B8R1.3 CC1=NN=C(Cl)C=C1 C-2759 [0,1,0,0,0,1|2,0,0]=4 275 B8R1.3 CC1=NN=C(I)C=C1 G-5523 [0,1,0,0,0,1|2,0,0]=4 276 B8R1.3 CC1=NN=C(N)C=C1 C-2322 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.3 CC1=NN=C(O)C=C1 C-2282 [0,1,0,0,0,1|2,0,0]=4 278 B8R1.3 CC1=NNC(=O)C=C1 I-9165 [0,1,0,0,0,1|2,0,0]=4 279 B8R1.3 ClC1=CN=C(Br)C=N1 O30741 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.3 ClC1=CN=C(Br)N=C1 L13575 [0,1,0,0,0,1|1,0,1]=4 281 B8R1.3 ClC1=CN=C(Cl)C=N1 G-5312 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.3 ClC1=CN=C(Cl)N=C1 G-6890 [0,1,0,0,0,1|1,0,1]=4 283 B8R1.3 ClC1=CN=C(I)C=C1 P50959 [0,1,0,0,0,1|2,0,0]=4 284 B8R1.3 ClC1=NC=C(Br)C=N1 G-6317 [0,1,0,0,0,1|1,0,1]=4 285 B8R1.3 ClC1=NC=C(I)C=C1 E-3038 [0,1,0,0,0,1|2,0,0]=4 286 B8R1.3 ClC1=NC=C(I)C=N1 P38800 [0,1,0,0,0,1|1,0,1]=4 287 B8R1.3 ClC1=NC=C(I)N=C1 O29843 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.3 FC1=CC=C(Br)N=C1 E-3090 [0,1,0,0,0,1|2,0,0]=4 289 B8R1.3 FC1=CN=C(Br)C=N1 O29595 [0,1,0,0,0,1|2,0,0]=4 290 B8R1.3 FC1=CN=C(Br)N=C1 G-7162 [0,1,0,0,0,1|1,0,1]=4 291 B8R1.3 FC1=NC=C(I)C=N1 L22396 [0,1,0,0,0,1|1,0,1]=4 292 B8R1.3 NC1=CC=C(O)C=N1 E-3088 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.3 NC1=CN=C(Cl)N=C1 G-7543 [0,1,0,0,0,1|1,0,1]=4 294 B8R1.3 NC1=CN=C(O)N=C1 F-4368 [0,1,0,0,0,1|1,0,1]=4 295 B8R1.3 NC1=NC=C(Br)C=C1 G-5636 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.3 NC1=NC=C(Br)C=N1 C-2774 [0,1,0,0,0,1|1,0,1]=4 297 B8R1.3 NC1=NC=C(Br)N=C1 G-5398 [0,1,0,0,0,1|2,0,0]=4 298 B8R1.3 NC1=NC=C(Cl)N=C1 C-3472 [0,1,0,0,0,1|2,0,0]=4 299 B8R1.3 NC1=NC=C(F)C=N1 O32924 [0,1,0,0,0,1|1,0,1]=4 300 B8R1.3 NC1=NC=C(O)C=N1 G-5678 [0,1,0,0,0,1|1,0,1]=4 301 B8R1.3 O=C1C=CC(Cl)=CN1 F-4339 [0,1,0,0,0,1|2,0,0]=4 302 B8R1.3 O=C1N=CC(Br)=CN1 P45145 [0,1,0,0,0,1|1,0,0]=3 303 B8R1.3 OC1=CC=C(Br)N=C1 C-3384 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.3 OC1=CN=C(Br)N=C1 G-6073 [0,1,0,0,0,1|1,0,1]=4 305 B8R1.3 OC1=CN=C(Cl)C=C1 G-5339 [0,1,0,0,0,1|2,0,0]=4 306 B8R1.3 OC1=CN=C(Cl)N=C1 C-2810 [0,1,0,0,0,1|1,0,1]=4 307 B8R1.4 BrC1=CC(Br)=NC=C1 G-5938 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.4 BrC1=CC(Br)=NC=N1 G-5117 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.4 BrC1=CC(I)=CN=C1 Q66871 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.4 BrC1=NC=CC(I)=C1 Q67803 [0,1,0,0,0,1|2,0,0]=4 311 B8R1.4 CC1=CC(=O)NN=C1 Q55625 [0,1,0,0,0,1|0,0,0]=2 312 B8R1.4 CC1=CC(C)=NC=N1 G-5958 [0,1,0,0,0,1|1,0,0]=3 313 B8R1.4 CC1=CC(Cl)=NN=C1 G-7302 [0,1,0,0,0,1|0,0,1]=3 314 B8R1.4 CC1=CC(N)=NN=C1 O30089 [0,1,0,0,0,1|0,0,1]=3 315 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,0,0,1|2,0,0]=4 316 B8R1.4 CC1=CN=CC(Br)=C1 G-7029 [0,1,0,0,0,1|1,0,0]=3 317 B8R1.4 CC1=CN=CC(Br)=N1 O30568 [0,1,0,0,0,1|1,0,0]=3 318 B8R1.4 CC1=CN=CC(F)=C1 P38200 [0,1,0,0,0,1|1,0,0]=3 319 B8R1.4 CC1=CN=CC(N)=C1 S70885 [0,1,0,0,0,1|1,0,0]=3 320 B8R1.4 CC1=CN=CC(N)=N1 O31827 [0,1,0,0,0,1|1,0,0]=3 321 B8R1.4 CC1=CN=CC(O)=C1 O30725 [0,1,0,0,0,1|1,0,0]=3 322 B8R1.4 CC1=CN=NC(=O)C1 O30337 [0,1,0,0,0,1|0,0,1]=3 323 B8R1.4 CC1=NC(Cl)=NC=C1 G-7250 [0,1,0,0,0,1|1,0,0]=3 324 B8R1.4 CC1=NC=CC(Cl)=C1 E-3106 [0,1,0,0,0,1|2,0,0]=4 325 B8R1.4 CC1=NC=CC(Cl)=N1 I-9872 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.4 CC1=NC=CC(N)=N1 O30572 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.4 CC1=NC=CC(N)=N1 O30672 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.4 CC1=NC=CC(O)=N1 P36692 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.4 CC1=NC=NC(Cl)=C1 I-9018 [0,1,0,0,0,1|1,0,0]=3 330 B8R1.4 ClC1=CC(Cl)=NC=N1 P49439 [0,1,0,0,0,1|2,0,0]=4 331 B8R1.4 ClC1=CC(Cl)=NN=C1 Q56869 [0,1,0,0,0,1|1,0,1]=4 332 B8R1.4 ClC1=CC=NC(Br)=C1 B-1204 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.4 ClC1=CC=NC(Br)=N1 L14646 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.4 ClC1=NC=CC(Br)=N1 O30345 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.4 ClC1=NN=CC(Br)=C1 L21878 [0,1,0,0,0,1|1,0,1]=4 336 B8R1.4 FC1=CC(I)=CN=C1 O30723 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.4 FC1=NC(Cl)=NC=C1 Q65337 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.4 FC1=NC=CC(Cl)=N1 Q55811 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.4 FC1=NC=CC(I)=C1 E-3003 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.4 IC1=CC(I)=NC=C1 N24711 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.4 IC1=CN=CC(I)=C1 G-5882 [0,1,0,0,0,1|2,0,0]=4 342 B8R1.4 NC1=CC(=O)NC=C1 C-3231 [0,1,0,0,0,1|2,0,0]=4 343 B8R1.4 NC1=CC(=O)NN=C1 L13106 [0,1,0,0,0,1|1,0,0]=3 344 B8R1.4 NC1=CC(Br)=CC=N1 B-1202 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.4 NC1=CC(Br)=NN=C1 O32375 [0,1,0,0,0,1|1,0,1]=4 346 B8R1.4 NC1=CC(Cl)=NC=C1 G-5361 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.4 NC1=CC(Cl)=NN=C1 L14054 [0,1,0,0,0,1|1,0,1]=4 348 B8R1.4 NC1=CC(F)=NC=C1 G-7585 [0,1,0,0,0,1|2,0,0]=4 349 B8R1.4 NC1=CC(F)=NC=N1 Q58616 [0,1,0,0,0,1|2,0,0]=4 350 B8R1.4 NC1=CC=NC(N)=N1 Q54676 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.4 NC1=NC(Cl)=CN=C1 I-9229 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.4 NC1=NC(F)=NC=C1 L18384 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.4 NC1=NC=CC(Br)=N1 C-2371 [0,1,0,0,0,1|2,0,0]=4 354 B8R1.4 NC1=NC=CC(F)=C1 A-621 [0,1,0,0,0,1|2,0,0]=4 355 B8R1.4 NC1=NC=CC(F)=N1 L14581 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.4 NC1=NC=CC(I)=C1 G-6400 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.4 NC1=NC=CC(I)=N1 Q52149 [0,1,0,0,0,1|2,0,0]=4 358 B8R1.4 NC1=NC=CC(O)=C1 E-3010 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.4 NC1=NN=CC(Cl)=C1 G-6872 [0,1,0,0,0,1|1,0,1]=4 360 B8R1.4 O=C1C=C(Br)C=CN1 G-7401 [0,1,0,0,0,1|2,0,0]=4 361 B8R1.4 O=C1C=C(I)C=NN1 P44522 [0,1,0,0,0,1|1,0,0]=3 362 B8R1.4 O=C1C=CNC(Br)=C1 Q52479 [0,1,0,0,0,1|2,0,0]=4 363 B8R1.4 OC1=CC(F)=NC=C1 E-3009 [0,1,0,0,0,1|2,0,0]=4 364 B8R1.4 OC1=CC=NC(Cl)=N1 Q52516 [0,1,0,0,0,1|2,0,0]=4 365 B8R1.4 OC1=CN=CC(F)=C1 E-3008 [0,1,0,0,0,1|2,0,0]=4 366 B8R1.4 OC1=NC=CC(F)=C1 S72531 [0,1,0,0,0,1|2,0,0]=4 367 B8R1.4 SC1=CC(Br)=CN=C1 Q62298 [0,1,0,0,0,1|2,0,0]=4 368 B8R1.5 BrC1=C(I)C=CN=C1 E-3013 [0,1,0,0,0,1|2,0,0]=4 369 B8R1.5 BrC1=C(I)C=NC=C1 E-3014 [0,1,0,0,0,1|2,0,0]=4 370 B8R1.5 BrC1=CC=CN=C1I Q66410 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.5 BrC1=NC=CC=C1I Q67426 [0,1,0,0,0,1|2,0,0]=4 372 B8R1.5 BrC1=NC=CN=C1Br S86565 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.5 CC1=C(Br)C=CN=C1 G-7557 [0,1,0,0,0,1|1,0,0]=3 374 B8R1.5 CC1=C(Br)C=CN=C1 P43051 [0,1,0,0,0,1|1,0,0]=3 375 B8R1.5 CC1=C(Cl)C=CN=C1 P40666 [0,1,0,0,0,1|1,0,0]=3 376 B8R1.5 CC1=C(N)C=NC=N1 L13550 [0,1,0,0,0,1|1,0,0]=3 377 B8R1.5 CC1=C(N)N=CC=N1 Q56445 [0,1,0,0,0,1|1,0,0]=3 378 B8R1.5 CC1=C(O)C=CN=C1 E-3032 [0,1,0,0,0,1|1,0,0]=3 379 B8R1.5 CC1=CC=CN=C1C Q57216 [0,1,0,0,0,1|1,0,0]=3 380 B8R1.5 CC1=CC=NC=C1O E-3031 [0,1,0,0,0,1|1,0,0]=3 381 B8R1.5 CC1=CC=NN=C1Cl G-7959 [0,1,0,0,0,1|0,0,1]=3 382 B8R1.5 CC1=CC=NN=C1Cl L13799 [0,1,0,0,0,1|0,0,1]=3 383 B8R1.5 CC1=CC=NNC1=O G-6419 [0,1,0,0,0,1|0,0,0]=2 384 B8R1.5 CC1=CN=CN=C1C Q65323 [0,1,0,0,0,1|0,0,1]=3 385 B8R1.5 CC1=CN=CNC1=O L18637 [0,1,0,0,0,1|0,0,0]=2 386 B8R1.5 CC1=CN=NC=C1N Q57087 [0,1,0,0,0,1|0,0,1]=3 387 B8R1.5 CC1=NC=CC=C1Br G-6792 [0,1,0,0,0,1|2,0,0]=4 388 B8R1.5 CC1=NC=CC=C1O G-6807 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.5 CC1=NC=CN=C1Cl L18121 [0,1,0,0,0,1|1,0,0]=3 390 B8R1.5 CC1=NC=NC=C1Br O30617 [0,1,0,0,0,1|1,0,0]=3 391 B8R1.5 ClC1=C(I)C=CN=C1 Q66429 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.5 ClC1=C(I)C=NC=C1 P35342 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.5 ClC1=CC=CN=C1I N24638 [0,1,0,0,0,1|2,0,0]=4 394 B8R1.5 ClC1=CC=NN=C1Cl I-9770 [0,1,0,0,0,1|1,0,1]=4 395 B8R1.5 ClC1=CN=CN=C1Cl 10589 [0,1,0,0,0,1|1,0,1]=4 396 B8R1.5 ClC1=NC=CC=C1I E-3058 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.5 ClC1=NC=NC=C1Br C-2367 [0,1,0,0,0,1|1,0,1]=4 398 B8R1.5 ClC1=NC=NC=C1I A-843 [0,1,0,0,0,1|1,0,1]=4 399 B8R1.5 FC1=C(Br)C=CN=C1 G-5481 [0,1,0,0,0,1|2,0,0]=4 400 B8R1.5 FC1=C(Br)C=CN=C1 P44616 [0,1,0,0,0,1|2,0,0]=4 401 B8R1.5 FC1=C(Br)C=NC=C1 Q56864 [0,1,0,0,0,1|2,0,0]=4 402 B8R1.5 FC1=C(Cl)C=CN=C1 P39328 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.5 FC1=C(F)C=NC=C1 Q62349 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.5 FC1=CC=CN=C1I G-7663 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.5 FC1=CN=CN=C1Cl O30832 [0,1,0,0,0,1|1,0,1]=4 406 B8R1.5 FC1=NC=CC=C1I E-3002 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.5 IC1=CC=CN=C1I Q68051 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.5 NC1=C(Br)C=NC=C1 E-3062 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.5 NC1=C(Cl)C=NC=N1 10590 [0,1,0,0,0,1|1,0,1]=4 410 B8R1.5 NC1=C(Cl)N=NC=C1 Q53543 [0,1,0,0,0,1|1,0,1]=4 411 B8R1.5 NC1=C(F)C=NC=C1 C-3717 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.5 NC1=C(I)C=CN=C1 E-3015 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.5 NC1=C(I)C=NC=C1 E-3016 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.5 NC1=C(O)C=NC=C1 O30556 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.5 NC1=C(O)C=NC=C1 O31762 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.5 NC1=C(S)C=CN=C1 Q52533 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.5 NC1=C(S)C=NC=C1 I-9682 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.5 NC1=C(S)C=NC=C1 Q52534 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.5 NC1=CC=CN=C1F P40871 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.5 NC1=CC=CN=C1O C-3656 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.5 NC1=CC=CNC1=S M15558 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.5 NC1=CN=CN=C1O O31022 [0,1,0,0,0,1|1,0,1]=4 423 B8R1.5 NC1=NC=CC=C1Br P43453 [0,1,0,0,0,1|2,0,0]=4 424 B8R1.5 NC1=NC=CC=C1F P39688 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.5 NC1=NC=CC=C1I C-3672 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.5 NC1=NC=CN=C1Br O33982 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.5 NC1=NC=NC=C1I 10591 [0,1,0,0,0,1|1,0,1]=4 428 B8R1.5 O=C1NC=NC=C1Br C-2366 [0,1,0,0,0,1|1,0,0]=3 429 B8R1.5 O=C1NN=CC=C1Cl G-7609 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.5 OC1=C(Br)C=CN=C1 N24655 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.5 OC1=C(Cl)C=CN=C1 N24314 [0,1,0,0,0,1|2,0,0]=4 432 B8R1.5 OC1=C(Cl)C=NC=C1 Q67665 [0,1,0,0,0,1|2,0,0]=4 433 B8R1.5 OC1=C(F)C=NC=C1 N24410 [0,1,0,0,0,1|2,0,0]=4 434 B8R1.5 OC1=C(I)C=CN=C1 N27325 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.5 OC1=C(I)C=CN=C1 Q70033 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.5 OC1=CC=CN=C1Br Q70032 [0,1,0,0,0,1|2,0,0]=4 437 B8R1.5 OC1=CC=CN=C1Cl I-9157 [0,1,0,0,0,1|2,0,0]=4 438 B8R1.5 OC1=CC=NC=C1I H-8691 [0,1,0,0,0,1|2,0,0]=4 439 B8R1.5 OC1=CC=NC=C1O 10601 [0,1,0,0,0,1|2,0,0]=4 440 B8R1.5 OC1=CN=CC=C1Br H-8866 [0,1,0,0,0,1|2,0,0]=4 441 B8R1.5 OC1=NC=NC=C1Cl 10588 [0,1,0,0,0,1|1,0,1]=4 442 B8R1.5 OC1=NC=NC=C1F P43226 [0,1,0,0,0,1|1,0,1]=4 443 B8R1.5 OC1=NC=NC=C1I O32500 [0,1,0,0,0,1|1,0,1]=4 444 B8R1.1 C#CC1=CN(C)N=C1 H-8239 [0,2,0,0,0,0|0,0,1]=3 445 B8R1.1 C(=O)C1=CN(C)N=C1 A-905 [0,2,0,0,0,0|0,0,1]=3 446 B8R1.1 CC1=CC(CBr)=NO1 O31840 [0,2,0,0,0,0|2,0,0]=4 447 B8R1.1 CC1=CC(CCl)=NN1 L20922 [0,2,0,0,0,0|2,0,0]=4 448 B8R1.1 CC1=CN=C(C#N)O1 Q69468 [0,2,0,0,0,0|2,0,0]=4 449 B8R1.1 CC1=CN=C(CN)O1 O33597 [0,2,0,0,0,0|2,0,0]=4 450 B8R1.1 CC1=CN=C(CO)N1 L22216 [0,2,0,0,0,0|2,0,0]=4 451 B8R1.1 CC1=CSC(C=O)=C1 Q67410 [0,2,0,0,0,0|2,0,0]=4 452 B8R1.1 CC1=CSC(CO)=C1 Q68378 [0,2,0,0,0,0|2,0,0]=4 453 B8R1.1 CC1=NOC(CBr)=C1 Q69999 [0,2,0,0,0,0|2,0,0]=4 454 B8R1.1 CCC1=CNC(C)=N1 O32620 [0,2,0,0,0,0|2,0,0]=4 455 B8R1.1 CCC1=NNC(N)=C1 A-620 [0,2,0,0,0,0|2,0,0]=4 456 B8R1.1 CCN1C=C(Br)C=N1 A-662 [0,2,0,0,0,0|1,0,0]=3 457 B8R1.1 CCN1C=C(N)C=N1 A-663 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.1 CCN1C=C(O)C=N1 Q61945 [0,2,0,0,0,0|1,0,0]=3 459 B8R1.1 CN1C=C(CBr)C=N1 H-8223 [0,2,0,0,0,0|0,0,0]=2 460 B8R1.1 CN1C=C(CBr)C=N1 I-9242 [0,2,0,0,0,0|0,0,0]=2 461 B8R1.1 CN1C=C(CCl)N=N1 L19362 [0,2,0,0,0,0|1,0,0]=3 462 B8R1.1 CN1C=C(CN)C=N1 L13507 [0,2,0,0,0,0|0,0,0]=2 463 B8R1.1 CN1C=C(CN)C=N1 L13513 [0,2,0,0,0,0|0,0,0]=2 464 B8R1.1 CN1C=C(CN)C=N1 O30809 [0,2,0,0,0,0|0,0,0]=2 465 B8R1.1 CN1C=C(CO)C=N1 G-5395 [0,2,0,0,0,0|0,0,0]=2 466 B8R1.1 CN1C=C(CO)N=N1 L19537 [0,2,0,0,0,0|1,0,0]=3 467 B8R1.1 CN1C=C(NN)C=N1 H-8958 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.1 CN1C=C(NN)C=N1 K12048 [0,2,0,0,0,0|1,0,0]=3 469 B8R1.1 CN1C=CC(CCl)=N1 L21300 [0,2,0,0,0,0|2,0,0]=4 470 B8R1.1 CN1C=CC(CCl)=N1 O30149 [0,2,0,0,0,0|2,0,0]=4 471 B8R1.1 CN1C=CC(CN)=N1 P44613 [0,2,0,0,0,0|2,0,0]=4 472 B8R1.1 CN1C=CC(CO)=N1 O33308 [0,2,0,0,0,0|2,0,0]=4 473 B8R1.1 CN1C=NC(C#N)=C1 L13632 [0,2,0,0,0,0|2,0,0]=4 474 B8R1.1 CN1C=NC(C=O)=C1 G-6087 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.1 CN1C=NC(CN)=C1 G-5996 [0,2,0,0,0,0|2,0,0]=4 476 B8R1.1 CN1C=NC(CN)=C1 G-5996-1 [0,2,0,0,0,0|2,0,0]=4 477 B8R1.1 CN1C=NC(CN)=C1 L22173 [0,2,0,0,0,0|2,0,0]=4 478 B8R1.1 COC1=CC(N)=NN1 C-3466 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.1 COC1=CC(N)=NN1 Q52443 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.1 COC1=NNC(Br)=C1 Q52304 [0,2,0,0,0,0|2,0,0]=4 481 B8R1.1 CSC1=CC(C)=CS1 N26956 [0,2,0,0,0,0|2,0,0]=4 482 B8R1.1 ClCC1=CC(Br)=NO1 O30843 [0,2,0,0,0,0|2,0,0]=4 483 B8R1.1 NC1=CC(CO)=NN1 F-4006 [0,2,0,0,0,0|2,0,0]=4 484 B8R1.1 NC1=NC=C(CO)S1 P41733 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.1 NCC1=CN=C(Cl)S1 P42295 [0,2,0,0,0,0|2,0,0]=4 486 B8R1.1 NCC1=CSC(Br)=C1 O33369 [0,2,0,0,0,0|2,0,0]=4 487 B8R1.1 NCC1=CSC(Br)=C1 O34212 [0,2,0,0,0,0|2,0,0]=4 488 B8R1.1 NCC1=CSC(Cl)=C1 G-5520 [0,2,0,0,0,0|2,0,0]=4 489 B8R1.1 NCC1=NNC(F)=C1 Q52442 [0,2,0,0,0,0|2,0,0]=4 490 B8R1.1 O=CC1=CC(I)=CN1 O30775 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.1 OCC1=CC(Br)=NO1 O30797 [0,2,0,0,0,0|2,0,0]=4 492 B8R1.1 OCC1=CN=C(Br)S1 O31937 [0,2,0,0,0,0|2,0,0]=4 493 B8R1.1 OCC1=CSC(Br)=C1 N25883 [0,2,0,0,0,0|2,0,0]=4 494 B8R1.1 OCC1=CSC(Cl)=C1 G-5626 [0,2,0,0,0,0|2,0,0]=4 495 B8R1.1 OCC1=NNC(Br)=C1 Q62475 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.1 OCC1=NNC(F)=C1 Q52441 [0,2,0,0,0,0|2,0,0]=4 497 B8R1.7 CC(=O)C1=CNC=N1 P51504 [0,2,0,0,0,0|2,0,0]=4 498 B8R1.7 CC(=O)C1=CNN=C1 H-8406 [0,2,0,0,0,0|0,0,0]=2 499 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [0,2,0,0,0,0|2,0,0]=4 500 B8R1.7 CC(N)C1=CC=NN1 O29815 [0,2,0,0,0,0|2,0,0]=4 501 B8R1.7 CC(O)C1=CN=CS1 O32402 [0,2,0,0,0,0|2,0,0]=4 502 B8R1.7 CC(O)C1=CSC=C1 O31068 [0,2,0,0,0,0|2,0,0]=4 503 B8R1.7 C[C@@H](O)C1=CNN=C1 Q64405 [0,2,0,0,0,0|0,0,0]=2 504 B8R1.7 C[C@H](N)C1=CN=CO1 L19494 [0,2,0,0,0,0|2,0,0]=4 505 B8R1.7 C[C@H](O)C1=CNN=C1 Q64406 [0,2,0,0,0,0|0,0,0]=2 506 B8R1.7 FC(F)C1=CNN=C1 P49347 [0,2,0,0,0,0|0,0,0]=2 507 B8R1.7 O=C(O)C1=CNN=C1 G-5584 [0,2,0,0,0,0|0,0,1]=3 508 B8R1.7 O=C(O)C1=CNN=N1 F-4261 [0,2,0,0,0,0|1,0,1]=4 509 B8R1.7 O=C(O)C1=CSN=C1 L22423 [0,2,0,0,0,0|1,0,1]=4 510 B8R1.7 O=[N+]([O-])C1=CSN=C1 P51260 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.7 OB(O)C1=CNN=C1 G-7530 [0,2,0,0,0,0|1,0,0]=3 512 B8R1.7 OB(O)C1=CON=C1 P51400 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.8 CNCC1=CNN=N1 L20488 [0,2,0,0,0,0|1,0,0]=3 514 B8R1.8 CNCC1=COC=C1 P39518 [0,2,0,0,0,0|2,0,0]=4 515 B8R1.8 CNCC1=CSC=C1 P39815 [0,2,0,0,0,0|2,0,0]=4 516 B8R1.8 CNCC1=NNC=C1 Q61062 [0,2,0,0,0,0|2,0,0]=4 517 B8R1.8 COCC1=CNN=C1 P45683 [0,2,0,0,0,0|0,0,0]=2 518 B8R1.8 ClCCC1=CC=NN1 Q61921 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.8 N#CCC1=CN=CN1 G-5552 [0,2,0,0,0,0|2,0,0]=4 520 B8R1.8 N#CCC1=NNC=C1 Q51930 [0,2,0,0,0,0|2,0,0]=4 521 B8R1.8 NCCC1=CSC=C1 G-7583 [0,2,0,0,0,0|2,0,0]=4 522 B8R1.8 NCCN1C=CN=C1 O32262 [0,2,0,0,0,0|2,0,0]=4 523 B8R1.8 NCCN1C=CN=C1 P37320 [0,2,0,0,0,0|2,0,0]=4 524 B8R1.8 OCCC1=CN=CN1 G-7568 [0,2,0,0,0,0|2,0,0]=4 525 B8R1.8 OCCC1=CNN=C1 A-904 [0,2,0,0,0,0|0,0,0]=2 526 B8R1.8 OCCC1=NNC=C1 P51145 [0,2,0,0,0,0|2,0,0]=4 527 B8R1.11 BrCC1=C(Br)SC=C1 G-5372 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.11 C#CC1=CN=CN1C O30803 [0,2,0,0,0,0|2,0,0]=4 529 B8R1.11 C(=O)C1=CN=CN1C F-4022 [0,2,0,0,0,0|2,0,0]=4 530 B8R1.11 CC1=C(C#N)C=NN1 L21277 [0,2,0,0,0,0|0,0,1]=3 531 B8R1.11 CC1=C(CN)C=NO1 L18895 [0,2,0,0,0,0|1,0,0]=3 532 B8R1.11 CC1=C(CN)SC=N1 H-8094 [0,2,0,0,0,0|2,0,0]=4 533 B8R1.11 CC1=CNN=C1C=O Q60308 [0,2,0,0,0,0|0,0,0]=2 534 B8R1.11 CC1=CNN=C1CN O33259 [0,2,0,0,0,0|0,0,0]=2 535 B8R1.11 CC1=CNN=C1CN Q61524 [0,2,0,0,0,0|0,0,0]=2 536 B8R1.11 CC1=CNN=C1CO Q61877 [0,2,0,0,0,0|0,0,0]=2 537 B8R1.11 CC1=CSC=C1C=O L14435 [0,2,0,0,0,0|2,0,0]=4 538 B8R1.11 CC1=NNC=C1CN Q64378 [0,2,0,0,0,0|0,0,0]=2 539 B8R1.11 CCN1C=CN=C1Cl O30463 [0,2,0,0,0,0|2,0,0]=4 540 B8R1.11 CN1C=CN=C1C#N C-2880 [0,2,0,0,0,0|2,0,0]=4 541 B8R1.11 CN1C=CN=C1C=O Q67822 [0,2,0,0,0,0|2,0,0]=4 542 B8R1.11 CN1C=CN=C1CCl O30212 [0,2,0,0,0,0|2,0,0]=4 543 B8R1.11 CN1C=CN=C1CN P44570 [0,2,0,0,0,0|2,0,0]=4 544 B8R1.11 CN1C=NC=C1C#N G-7166 [0,2,0,0,0,0|2,0,0]=4 545 B8R1.11 CN1C=NC=C1CN F-4025 [0,2,0,0,0,0|2,0,0]=4 546 B8R1.11 CN1C=NC=C1CO F-4024 [0,2,0,0,0,0|2,0,0]=4 547 B8R1.11 CN1N=CC=C1CCl Q55501 [0,2,0,0,0,0|2,0,0]=4 548 B8R1.11 CN1N=CC=C1CN O30277 [0,2,0,0,0,0|2,0,0]=4 549 B8R1.11 CN1N=CC=C1CN O30588 [0,2,0,0,0,0|2,0,0]=4 550 B8R1.11 CN1N=CC=C1CO O30710 [0,2,0,0,0,0|2,0,0]=4 551 B8R1.11 CNC1=NC=CN1C H-8117 [0,2,0,0,0,0|2,0,0]=4 552 B8R1.11 CNC1=NC=CN1C H-8117-01 [0,2,0,0,0,0|2,0,0]=4 553 B8R1.11 COC1=CC=NN1C Q69571 [0,2,0,0,0,0|2,0,0]=4 554 B8R1.11 COC1=CSC=C1N O29276 [0,2,0,0,0,0|2,0,0]=4 555 B8R1.11 COC1=CSC=C1N O29280 [0,2,0,0,0,0|2,0,0]=4 556 B8R1.11 N#CC1=C(Cl)C=NN1 G-7769 [0,2,0,0,0,0|1,0,0]=3 557 B8R1.11 N#CC1=C(N)ON=C1 O32258 [0,2,0,0,0,0|1,0,1]=4 558 B8R1.11 N#CC1=CNN=C1F Q64417 [0,2,0,0,0,0|0,0,1]=3 559 B8R1.11 N#CC1=CNN=C1I L14346 [0,2,0,0,0,0|0,0,1]=3 560 B8R1.11 N#CC1=NNC=C1Br O31205 [0,2,0,0,0,0|1,0,0]=3 561 B8R1.11 NCC1=CNNC1=O Q52410 [0,2,0,0,0,0|0,0,1]=3 562 B8R1.11 OCC1=NNC=C1Br Q61522 [0,2,0,0,0,0|1,0,0]=3 563 B8R1.11 OCC1=NNC=C1Br Q61523 [0,2,0,0,0,0|1,0,0]=3 564 B8R1.18 CC1=C(Br)N=C(Br)N1 P43329 [0,2,0,0,0,0|2,0,0]=4 565 B8R1.18 CC1=C(Br)N=C(N)S1 O32606 [0,2,0,0,0,0|2,0,0]=4 566 B8R1.18 CC1=C(C)SC(N)=N1 Q65622 [0,2,0,0,0,0|2,0,0]=4 567 B8R1.18 CC1=CC(I)=NN1C Q61743 [0,2,0,0,0,0|2,0,0]=4 568 B8R1.18 CC1=CC(N)=NN1C Q61545 [0,2,0,0,0,0|2,0,0]=4 569 B8R1.18 CC1=NC(I)=CN1C Q70110 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.18 CC1=NN(C)C(Br)=C1 C-2888 [0,2,0,0,0,0|2,0,0]=4 571 B8R1.18 CC1=NN(C)C(Br)=C1 I-9623 [0,2,0,0,0,0|2,0,0]=4 572 B8R1.18 CC1=NN(C)C(Br)=C1 O33273 [0,2,0,0,0,0|2,0,0]=4 573 B8R1.18 CC1=NN(C)C(I)=C1 Q62006 [0,2,0,0,0,0|2,0,0]=4 574 B8R1.18 CC1=NN(C)C=C1Br L18470 [0,2,0,0,0,0|1,0,0]=3 575 B8R1.18 CC1=NN(C)C=C1N A-858 [0,2,0,0,0,0|1,0,0]=3 576 B8R1.18 CC1=NN(C)C=C1N A-858-1 [0,2,0,0,0,0|1,0,0]=3 577 B8R1.18 CC1=NN(C)C=C1N O30250 [0,2,0,0,0,0|1,0,0]=3 578 B8R1.18 CC1=NN(C)C=C1O Q61948 [0,2,0,0,0,0|1,0,0]=3 579 B8R1.18 CN1C=C(Br)C(Br)=N1 Q53473 [0,2,0,0,0,0|1,0,0]=3 580 B8R1.18 CN1C=C(Br)C(F)=N1 L22152 [0,2,0,0,0,0|1,0,0]=3 581 B8R1.18 CN1C=C(Br)C(N)=N1 O31895 [0,2,0,0,0,0|1,0,0]=3 582 B8R1.18 CN1C=C(Br)N=C1Br Q61776 [0,2,0,0,0,0|2,0,0]=4 583 B8R1.18 CN1C=C(F)C(Br)=N1 Q61561 [0,2,0,0,0,0|1,0,0]=3 584 B8R1.18 CN1C=C(N)C(Br)=N1 Q62183 [0,2,0,0,0,0|1,0,0]=3 585 B8R1.18 CN1C=C(N)C(Cl)=N1 Q62182 [0,2,0,0,0,0|1,0,0]=3 586 B8R1.50 CC1=C(Br)C(Br)=NN1 F-4600 [0,2,0,0,0,0|1,0,0]=3 587 B8R1.50 CC1=C(Br)N(C)N=C1 L13230 [0,2,0,0,0,0|0,0,0]=2 588 B8R1.50 CC1=C(C)C(N)=NO1 A-570 [0,2,0,0,0,0|1,0,0]=3 589 B8R1.50 CC1=C(I)C(I)=NN1 Q69985 [0,2,0,0,0,0|1,0,0]=3 590 B8R1.50 CC1=C(N)C=NN1C P51001 [0,2,0,0,0,0|1,0,0]=3 591 B8R1.50 CC1=C(N)N(C)N=C1 Q62007 [0,2,0,0,0,0|0,0,0]=2 592 B8R1.50 CC1=C(O)C=NN1C Q61947 [0,2,0,0,0,0|1,0,0]=3 593 B8R1.50 CC1=C(O)COC1=O O32297 [0,2,0,0,0,0|2,0,0]=4 594 B8R1.50 CC1=NC=C(I)N1C Q70063 [0,2,0,0,0,0|2,0,0]=4 595 B8R1.50 CC1=NNC(Cl)=C1N I-9508 [0,2,0,0,0,0|1,0,0]=3 596 B8R1.50 CC1=NOC(C)=C1Br C-3323 [0,2,0,0,0,0|2,0,0]=4 597 B8R1.50 CN1C(Br)=CN=C1Br Q54664 [0,2,0,0,0,0|2,0,0]=4 598 B8R1.50 CN1C=NC(Br)=C1Br Q54650 [0,2,0,0,0,0|2,0,0]=4 599 B8R1.50 CN1N=CC(Br)=C1N P49891 [0,2,0,0,0,0|1,0,0]=3 600 B8R1.50 CN1N=CC(N)=C1Cl Q61547 [0,2,0,0,0,0|1,0,0]=3 601 B6R1.1 C1=CCNCC1 C-2421 [0,0,1,1,0,0|1,0,1]=4