0 B7R1.1 CCC1=NC=CN1 BB_SC-07161 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 COC1=NC=CS1 BB_SC-12407 [0,0,0,0,0,0|3,1,0]=4 2 B7R1.1 NCC1=CC=CO1 BB_SC-06537 [0,0,0,0,0,0|1,0,1]=2 3 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [0,0,0,0,0,0|0,1,0]=1 5 B7R1.1 O=CC1=CNC=N1 BB_SC-12411 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.1 O=CC1=CSC=C1 BB_SC-09203 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 BrC1=CN=CN1 BB_SC-06082 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 BrC1=NC=CS1 BB_SC-04599 [1,0,0,0,0,0|2,1,0]=4 9 B6R1.2 CC1=CC=NN1 BB_SC-03908 [1,0,0,0,0,0|2,0,1]=4 10 B6R1.2 CC1=NC=CN1 BB_SC-06891 [1,0,0,0,0,0|2,0,1]=4 11 B6R1.2 CN1C=CC=N1 BB_SC-04178 [1,0,0,0,0,0|2,0,1]=4 12 B6R1.2 ClC1=CC=CS1 BB_SC-08899 [1,0,0,0,0,0|1,1,0]=3 13 B6R1.2 NC1=CC=NN1 BB_SC-08263 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 NC1=NC=CN1 BB_SC-09635 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 NC1=NC=CS1 BB_SC-10668 [1,0,0,0,0,0|2,1,0]=4 16 B6R1.2 NC1=NOC=C1 BB_SC-12691 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 O=C1NCCO1 BB_SC-06954 [1,0,0,0,0,0|1,0,2]=4 18 B6R1.2 O=C1OC=CO1 BB_SC-06550 [1,0,0,0,0,0|1,0,0]=2 19 B6R1.2 O=C1OCCO1 BB_SC-06807 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.1 C=CN1C=C(Cl)C=N1 BB_SC-08413 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.1 CC1=CC=C(C=O)N1 BB_SC-08168 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [0,1,0,0,0,0|0,0,0]=1 23 B8R1.1 CC1=CC=C(CN)O1 BB_SC-07231 [0,1,0,0,0,0|1,0,1]=3 24 B8R1.1 NC1=NC=C(C=O)S1 BB_SC-04878 [0,1,0,0,0,0|1,1,0]=3 25 B8R1.1 O=CC1=CC=C(Br)S1 BB_SC-07348 [0,1,0,0,0,0|0,1,0]=2 26 B8R1.1 O=CC1=CN=C(Br)S1 BB_SC-09299 [0,1,0,0,0,0|1,1,0]=3 27 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [0,1,0,0,0,0|0,0,0]=1 29 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [0,1,0,0,0,0|0,1,0]=2 31 B8R1.7 O=C(Cl)C1=CSN=N1 BB_SC-04191 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [0,1,0,0,0,0|0,0,0]=1 34 B8R1.7 O=C(O)C1=CSC=C1 BB_SC-09202 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.7 O=C(O)C1=CSN=N1 BB_SC-04188 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.7 O=C(O)C1=NC=NN1 BB_SC-10825 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.7 O=C(O)C1=NNC=C1 BB_SC-00195 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.7 O=[N+]([O-])C1=CNC=N1 BB_SC-06887 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.7 O=[N+]([O-])C1=NNC=C1 BB_SC-03912 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.8 NCCC1=CC=CO1 BB_SC-03286 [0,1,0,0,0,0|1,0,1]=3 41 B8R1.8 O\N=C\C1=CC=CO1 BB_SC-06763 [0,1,0,0,0,0|0,0,1]=2 42 B8R1.11 CC1=C(C=O)N=CN1 BB_SC-11224 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.11 CC1=C(C=O)SC=C1 BB_SC-02989 [0,1,0,0,0,0|0,1,0]=2 44 B8R1.11 CN1C=CC=C1C=O BB_SC-05503 [0,1,0,0,0,0|1,0,0]=2 45 B8R1.11 CN1N=CC=C1C=O BB_SC-10382 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.11 NCC1=CC=CN1C BB_SC-10080 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.2 C=CC1=CC=CC=N1 BB_SC-05428 [0,0,0,0,0,1|2,0,0]=3 48 B8R1.2 C=CC1=CC=NC=C1 BB_SC-05441 [0,0,0,0,0,1|2,0,0]=3 49 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [0,0,0,0,0,1|2,0,1]=4 51 B8R1.2 ClCC1=CC=CN=C1 BB_SC-03000 [0,0,0,0,0,1|2,0,1]=4 52 B8R1.2 ClCC1=CC=NC=C1 BB_SC-02999 [0,0,0,0,0,1|2,0,1]=4 53 B8R1.2 N#CC1=CC=CN=C1 BB_SC-12614 [0,0,0,0,0,1|2,0,1]=4 54 B8R1.2 N#CC1=CC=NC=C1 BB_SC-07019 [0,0,0,0,0,1|2,0,1]=4 55 B8R1.2 N#CC1=NC=CC=C1 BB_SC-08696 [0,0,0,0,0,1|2,0,1]=4 56 B8R1.2 N#CC1=NC=CN=C1 BB_SC-08694 [0,0,0,0,0,1|2,0,1]=4 57 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [0,0,0,0,0,1|2,0,1]=4 58 B8R1.2 NCC1=CN=CC=C1 BB_SC-12559 [0,0,0,0,0,1|2,0,1]=4 59 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [0,0,0,0,0,1|3,0,0]=4 60 B8R1.2 NNC1=NC=CC=C1 BB_SC-07490 [0,0,0,0,0,1|3,0,0]=4 61 B8R1.2 O=CC1=CC=CC=N1 BB_SC-07272 [0,0,0,0,0,1|1,0,0]=2 62 B8R1.2 O=CC1=CC=NC=C1 BB_SC-06717 [0,0,0,0,0,1|1,0,0]=2 63 B8R1.2 O=CC1=CN=CC=C1 BB_SC-11212 [0,0,0,0,0,1|1,0,0]=2 64 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [0,0,0,0,0,1|1,0,2]=4 65 B5R0.1 C=COC(C)=O BB_SC-12396 [1,0,1,0,0,0|0,0,1]=3 66 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [1,0,1,0,0,0|1,0,1]=4 67 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,1,0,0,0|0,0,1]=3 68 B5R0.3 C=CC(=O)OC BB_SC-06906 [1,0,1,0,0,0|0,0,1]=3 69 B5R1.1 C1=CNC=C1 BB_SC-07205 [2,0,0,0,0,0|1,0,0]=3 70 B5R1.1 C1=CNC=N1 BB_SC-06938 [2,0,0,0,0,0|2,0,0]=4 71 B5R1.1 C1=CNN=C1 BB_SC-04986 [2,0,0,0,0,0|2,0,0]=4 72 B5R1.1 C1=COCC1 BB_SC-06597 [2,0,0,0,0,0|0,0,2]=4 73 B5R1.1 C1=CON=C1 BB_SC-08801 [2,0,0,0,0,0|1,0,0]=3 74 B5R1.1 C1=CSC=N1 BB_SC-08800 [2,0,0,0,0,0|1,1,0]=4 75 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [0,1,1,0,0,0|1,0,0]=3 76 B7R1.2 CC1=CC(N)=NO1 BB_NC-00012 [1,1,0,0,0,0|1,0,1]=4 77 B7R1.2 CC1=CC(O)=NO1 BB_SC-10988 [1,1,0,0,0,0|1,0,1]=4 78 B7R1.2 CC1=NOC(N)=C1 BB_SC-03667 [1,1,0,0,0,0|2,0,0]=4 79 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [1,1,0,0,0,0|1,0,1]=4 80 B7R1.2 NC1=CC(O)=NO1 BB_SC-11092 [1,1,0,0,0,0|2,0,0]=4 81 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [1,1,0,0,0,0|1,0,1]=4 82 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [1,1,0,0,0,0|0,0,1]=3 83 B9R1.1 NC1=CC=C(C=O)C=C1 BB_NC-02192 [0,1,0,0,0,1|1,0,0]=3 84 B9R1.1 O=CC1=CC=C(F)C=C1 BB_SC-03254 [0,1,0,0,0,1|1,0,0]=3 85 B9R1.1 O=CC1=CC=C(O)C=C1 BB_NC-02207 [0,1,0,0,0,1|1,0,0]=3 86 B9R1.2 O=CC1=CC(F)=CC=C1 BB_SC-03369 [0,1,0,0,0,1|1,0,0]=3 87 B9R1.2 O=CC1=NC(Br)=CC=C1 BB_SC-04737 [0,1,0,0,0,1|1,0,0]=3 88 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [0,1,0,0,0,1|1,0,0]=3 89 B9R1.6 CC(=O)C1=CC=NC=C1 BB_SC-12406 [0,1,0,0,0,1|1,0,0]=3 90 B9R1.6 CC(=O)C1=NC=CN=C1 BB_SC-12418 [0,1,0,0,0,1|1,0,0]=3 91 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [0,1,0,0,0,1|2,0,0]=4 92 B9R1.6 N=C(N)C1=CC=CN=C1 BB_SC-07349 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.6 NC(=O)C1=CC=CN=C1 BB_NC-02290 [0,1,0,0,0,1|1,0,0]=3 94 B9R1.6 NC(=O)C1=CC=NC=C1 BB_SC-06660 [0,1,0,0,0,1|1,0,0]=3 95 B9R1.6 NC(=O)C1=CN=CC=N1 BB_SC-01250 [0,1,0,0,0,1|1,0,0]=3 96 B9R1.6 NC(=S)C1=CN=CC=C1 BB_SC-05504 [0,1,0,0,0,1|1,1,0]=4 97 B9R1.6 O=C(Cl)C1=CN=CC=C1 BB_SC-06783 [0,1,0,0,0,1|1,0,0]=3 98 B9R1.6 O=C(O)C1=CC=CN=C1 BB_SC-12613 [0,1,0,0,0,1|1,0,0]=3 99 B9R1.6 O=C(O)C1=CC=NC=C1 BB_SC-07270 [0,1,0,0,0,1|1,0,0]=3 100 B9R1.6 O=C(O)C1=CN=CC=N1 BB_SC-05383 [0,1,0,0,0,1|1,0,0]=3 101 B9R1.6 O=C([O-])C1=NC=CC=C1 BB_SC-07257 [0,1,0,0,0,1|1,0,0]=3 102 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [0,1,0,0,0,1|1,0,1]=4 103 B9R1.15 NC1=NC=CC=C1C=O BB_SC-04877 [0,1,0,0,0,1|1,0,0]=3 104 B9R1.15 O=CC1=C(Cl)C=CC=C1 BB_SC-06736 [0,1,0,0,0,1|1,0,0]=3 105 B9R1.15 O=CC1=C(O)C=CC=C1 BB_SC-09449 [0,1,0,0,0,1|1,0,0]=3 106 B9R1.15 O=CC1=CC=CN=C1Cl BB_SC-09204 [0,1,0,0,0,1|1,0,0]=3 107 B9R1.22 CC1=CC(C=O)=C(C)N1 BB_SC-05221 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.22 CN1C=C(Br)C=C1C=O BB_SC-11392 [0,2,0,0,0,0|1,0,0]=3 109 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB_SC-04749 [0,2,0,0,0,0|0,1,0]=3 110 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [0,2,0,0,0,0|0,0,0]=2 111 B9R1.35 CC1=CC(C(=O)O)=NO1 BB_SC-09038 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.35 CC1=NC(C(=O)O)=CO1 BB_SC-07364 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.35 CC1=NNC(C(=O)O)=C1 BB_SC-01241 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.35 CC1=NOC(C(=O)O)=C1 BB_SC-09172 [0,2,0,0,0,0|1,0,0]=3 115 B9R1.35 CN1C=CC(C(=O)O)=N1 BB_SC-06189 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.35 O=C(O)C1=CC(Cl)=NO1 BB_SC-10605 [0,2,0,0,0,0|1,0,0]=3 117 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB_SC-03350 [0,2,0,0,0,0|0,0,0]=2 118 B9R1.35 O=C(O)C1=CN=C(Br)S1 BB_SC-05194 [0,2,0,0,0,0|1,1,0]=4 119 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB_SC-05193 [0,2,0,0,0,0|2,0,0]=4 120 B9R1.35 O=C1C=C(C(=O)O)NN1 BB_SC-04251 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.132 CC1=CC=C(C=O)N1C BB_SC-07546 [0,2,0,0,0,0|1,0,0]=3 122 B9R1.11 COC(=O)C1=NNC=C1 BB_SC-04725 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 BB_SC-04692 [0,2,0,0,0,0|1,1,0]=4 124 B9R1.41 CC(=O)C1=CC=NN1C BB_SC-03698 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.41 CN1N=CC=C1C(=O)O BB_SC-06188 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.41 O=C(O)C1=C(Cl)C=NN1 BB_SC-08463 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.41 O=C(O)C1=C(I)C=NN1 BB_SC-10159 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.41 O=C(O)C1=NNC=C1Br BB_SC-03756 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.12 CCNCC1=CC=CO1 BB_SC-01705 [0,2,0,0,0,0|1,0,1]=4 130 B9R1.12 O=C\C=C\C1=CC=CO1 BB_NC-00234 [0,2,0,0,0,0|0,0,0]=2 131 B9R1.12 S=C=NCC1=CC=CO1 BB_SC-01799 [0,2,0,0,0,0|0,1,1]=4 132 B9R1.13 CC(=O)NC1=CC=NN1 BB_SC-03675 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.13 O=C(Cl)CC1=CC=CS1 BB_SC-04631 [0,2,0,0,0,0|0,1,0]=3 134 B9R1.13 O=C(O)CC1=CSC=C1 BB_SC-11479 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.13 O=C(O)CN1C=CC=N1 BB_SC-05012 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.14 CCN1C=CN=C1C=O BB_SC-07793 [0,2,0,0,0,0|2,0,0]=4 137 B7R1.3 BrC1=CN=CC=C1 BB_SC-04786 [0,0,1,1,0,0|2,0,0]=4 138 B7R1.3 NC1=CC=CN=C1 BB_SC-06592 [0,0,1,1,0,0|2,0,0]=4 139 B7R1.3 OC1=CN=CC=C1 BB_SC-00238 [0,0,1,1,0,0|1,0,0]=3 140 B7R1.3 OC1=NC=CC=C1 BB_SC-07237 [0,0,1,1,0,0|2,0,0]=4 141 B7R1.24 C1=CC=CCC=C1 BB_SC-06674 [0,0,1,1,0,0|2,0,0]=4