0 B9R1.41 CC(=O)C1=CC=NN1C BB_SC-03698 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.41 CC1=C(C(=O)O)C=NN1 BB_SC-06431 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 CN1N=CC=C1C(=O)O BB_SC-06188 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [1,0,0,0,0,0|0,0,0]=1 4 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [1,0,0,0,0,0|1,0,0]=2 5 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.7 CC(C)C1=NC=CN1 BB_SC-05536 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 O=C(O)C1=CSC=C1 BB_SC-09202 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 O=C(O)C1=NC=NN1 BB_SC-10825 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 O=C(O)C1=NNC=C1 BB_SC-00195 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.11 CC1=C(C=O)N=CN1 BB_SC-11224 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.11 CC1=C(C=O)SC=C1 BB_SC-02989 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.11 CN1C=CC=C1C=O BB_SC-05503 [1,0,0,0,0,0|0,0,0]=1 16 B8R1.11 CN1N=CC=C1C=O BB_SC-10382 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.11 NCC1=CC=CN1C BB_SC-10080 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB_SC-00565 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB_SC-10958 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 BB_SC-02829 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BB_SC-02529 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 BB_SC-05319 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.59 CN1C=C(Br)C=C1C(=O)O BB_SC-11393 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.59 CN1N=C(Cl)N=C1C(=O)O BB_SC-12584 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.149 COC(=O)C1=C(C)OC=C1 BB_SC-06791 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.149 COC(=O)C1=C(N)C=CS1 BB_SC-03264 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.192 CC(=O)C1=C(C)NN=C1C BB_SC-03697 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.192 CN1N=CC(Br)=C1C(=O)O BB_SC-08787 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.192 CN1N=CC(Cl)=C1C(=O)O BB_SC-08491 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.194 CC1=NC=C([N+](=O)[O-])N1C BB_SC-10068 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.61 CC(=O)C1=C(C)C=CC=C1 BB_SC-06871 [0,0,0,0,0,1|1,0,0]=2 32 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BB_SC-06782 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.61 CC(=O)C1=CC=CC=C1N BB_SC-09205 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 BB_SC-06956 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BB_SC-00234 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BB_SC-05523 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.61 NC1=C(C(=O)O)C=CC=N1 BB_SC-03260 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.61 NC1=CC=CC=C1C(=O)O BB_NC-02812 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 BB_SC-06826 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 BB_SC-06990 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl BB_SC-08695 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.61 O=C(O)C1=C(I)C=CC=C1 BB_SC-06764 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.61 O=C(O)C1=CC=CC=C1F BB_SC-09447 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.61 O=C(O)C1=CC=CN=C1Cl BB_SC-05455 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.61 O=C(O)C1=CC=CN=C1S BB_SC-06564 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.61 O=C(O)C1=CC=CNC1=O BB_NC-02163 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.113 NC(=O)C1=CC=CC(N)=C1 BB_SC-07456 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BB_SC-06272 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BB_SC-12388 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.113 O=C(O)C1=CC=CC(O)=C1 BB_SC-06483 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 BB_SC-06795 [0,0,0,0,0,1|2,0,1]=4 54 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 BB_SC-03441 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BB_SC-04741 [0,0,0,0,0,1|3,0,0]=4 56 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [1,0,1,0,0,0|1,0,0]=3 57 B7R1.1 CCC1=NC=CN1 BB_SC-07161 [2,0,0,0,0,0|1,0,1]=4 58 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [2,0,0,0,0,0|0,0,0]=2 59 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [2,0,0,0,0,0|1,0,0]=3 60 B7R1.1 O=CC1=CNC=N1 BB_SC-12411 [2,0,0,0,0,0|1,0,1]=4 61 B7R1.1 O=CC1=CSC=C1 BB_SC-09203 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.4 CC1=CC=NN1C BB_SC-02404 [2,0,0,0,0,0|1,0,0]=3 63 B7R1.4 CC1=NC=CN1C BB_SC-06893 [2,0,0,0,0,0|1,0,0]=3 64 B7R1.4 CN1C=CN=C1S BB_SC-01357 [2,0,0,0,0,0|1,1,0]=4 65 B9R0.1 C\C=C(C)\C=C\C=C(C)C BB_NC-01504 [0,1,1,0,0,0|2,0,0]=4 66 B9R1.11 COC(=O)C1=NNC=C1 BB_SC-04725 [1,1,0,0,0,0|1,0,1]=4 67 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB_SC-04749 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.35 CC1=NNC(C(=O)O)=C1 BB_SC-01241 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB_SC-03350 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.35 O=C1C=C(C(=O)O)NN1 BB_SC-04251 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.14 CCN1C=CN=C1C=O BB_SC-07793 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.22 CC1=CC(C=O)=C(C)N1 BB_SC-05221 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.22 CN1C=C(Br)C=C1C#N BB_SC-10079 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.22 CN1C=C(Br)C=C1C=O BB_SC-11392 [1,1,0,0,0,0|0,0,0]=2 76 B9R1.33 CNCC1=CC=CN1C BB_SC-09778 [1,1,0,0,0,0|0,0,1]=3 77 B9R1.132 CC1=CC=C(C=O)N1C BB_SC-07546 [1,1,0,0,0,0|0,0,0]=2 78 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB_NC-02268 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BB_SC-12471 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.53 COC1=CC=CC=C1C(C)=O BB_SC-06447 [0,1,0,0,0,1|1,0,0]=3 81 B11R1.53 COC1=NC=CC=C1C(=O)O BB_NC-02512 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 BB_SC-06991 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BB_SC-08749 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.166 CC(=O)C1=CC=C(O)C=C1O BB_SC-06691 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BB_SC-06880 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BB_NC-02592 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.167 CC(=O)C1=CC(O)=CC=C1O BB_SC-06838 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 BB_SC-06886 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.222 CNC(=O)C1=CC=CC=C1O BB_SC-00487 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.222 COC(=O)C1=CC=CC=C1N BB_SC-02799 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.222 COC(=O)C1=CC=CC=C1O BB_SC-07170 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.222 COC(=O)C1=CC=CN=C1N BB_SC-05275 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.228 COC(=O)CC1=CC=CN1C BB_SC-05518 [0,1,0,0,0,1|0,0,0]=2 94 B11R1.21 CN1N=C(C(=O)O)C=CC1=O BB_SC-05030 [0,1,0,0,0,1|1,0,0]=3 95 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BB_SC-06986 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 BB_SC-07457 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 BB_SC-07528 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 BB_SC-06671 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 BB_SC-06878 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.266 COC1=CC(C(C)=O)=CC=C1 BB_SC-06240 [0,1,0,0,0,1|1,0,0]=3 101 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 BB_SC-03750 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB_SC-03763 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.59 COC(=O)C1=CC=NN1CCl BB_SC-07325 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.225 COC(=O)C1=CC(C)=NN1C BB_SC-11067 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br BB_SC-09358 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl BB_SC-10153 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.875 COC(=O)C1=C(Br)C=NN1C BB_SC-09300 [0,2,0,0,0,0|1,0,0]=3 108 B9R1.2 CC1=CC=CC(NN)=C1 BB_SC-06209 [0,0,1,1,0,0|2,0,0]=4 109 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [0,0,1,1,0,0|2,0,0]=4 110 B9R1.15 CC1=CC=CC=C1NN BB_SC-06250 [0,0,1,1,0,0|2,0,0]=4 111 B11R2.1 O=C1OCC2=C1C=CC=C2 BB_SC-05507 [0,0,0,1,0,1|2,0,0]=4 112 B11R2.106 O=C1CCCC2=C1C=CN2 BB_SC-01485 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.90 CC(C)NCC1=CC=CN1C BB_SC-09942 [0,0,0,0,0,2|1,0,1]=4 114 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 BB_SC-04170 [0,0,0,0,0,2|2,0,0]=4