0 B10R1.10 CNCC1=CC(N)=CC=C1 BB_SC-08896 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 FC1=CC=CC(N=C=S)=C1 BB_SC-01835 [0,0,0,0,0,0|2,1,1]=4 2 B10R1.10 NCCC1=CC(F)=CC=C1 BB_SC-08693 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 BB_SC-06830 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.2 CC1=CC=CC(CCl)=C1 BB_SC-07069 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.2 CC1=CC=CC(NN)=C1 BB_SC-06209 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.2 COC1=CC=CC(N)=C1 BB_SC-07166 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 COC1=CC=CC(O)=C1 BB_SC-06850 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.2 CSC1=CC(N)=CC=C1 BB_SC-07267 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 ClCC1=CC(Cl)=CC=C1 BB_SC-06965 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.2 ClCC1=CC=CC(Br)=C1 BB_SC-09626 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.2 NCC1=CC(Cl)=CC=C1 BB_SC-04584 [1,0,0,0,0,0|0,1,0]=2 12 B9R1.2 NCC1=CC(F)=CC=C1 BB_SC-04586 [1,0,0,0,0,0|0,1,0]=2 13 B9R1.2 NCC1=CC(N)=CC=C1 BB_SC-08894 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.2 NNC1=CC=CC(F)=C1 BB_SC-06249 [1,0,0,0,0,0|1,1,0]=3 15 B9R1.2 NNC1=NC(Cl)=CC=C1 BB_SC-08325 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.2 O=CC1=CC(F)=CC=C1 BB_SC-03369 [1,0,0,0,0,0|1,1,1]=4 17 B9R1.2 O=CC1=NC(Br)=CC=C1 BB_SC-04737 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 N#CCC1=NC=CC=C1 BB_SC-05130 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [1,0,0,0,0,0|0,0,0]=1 26 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 S=C=NC1=CC=CC=C1 BB_SC-09412 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BB_SC-06986 [0,1,0,0,0,0|1,1,1]=4 32 B11R1.23 NCC(O)C1=CC(O)=CC=C1 BB_NC-02015 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.24 NC1=CC(OCCO)=CC=C1 BB_SC-09611 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BB_SC-07736 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BB_SC-05538 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BB_SC-12593 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 BB_NC-00472 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.192 CNCC1=CC(Cl)=C(O)C=C1 BB_SC-12468 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.192 NCCC1=CC(O)=C(O)C=C1 BB_NC-01356 [0,1,0,0,0,0|1,0,0]=2 40 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 BB_SC-01562 [0,0,0,1,0,0|0,0,2]=3 41 B11R2.36 BrC1=CC=C2C=CNC2=C1 BB_SC-01865 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.36 CC1=CC2=C(C=C1)NC=C2 BB_SC-01558 [0,0,0,1,0,0|1,0,2]=4 43 B11R2.36 ClC1=CC=C2NC=CC2=C1 BB_SC-01608 [0,0,0,1,0,0|0,1,2]=4 44 B11R2.36 NC1=CC2=C(C=C1)NC=N2 BB_SC-09864 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.36 NC1=CC2=C(C=C1)OCO2 BB_SC-12006 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.36 OC1=CC2=C(C=C1)NC=C2 BB_SC-01866 [0,0,0,1,0,0|1,0,2]=4 47 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-01237 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-02931 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.7 CC1=CSC(CCN)=N1 BB_SC-05822 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.7 CC1=NN(CCN)C=C1 BB_SC-04722 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.33 CC1=CC=NN1CCN BB_SC-04467 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.33 CC1=NC=CN1CCN BB_SC-11751 [0,0,0,0,1,0|3,0,0]=4 53 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 ClCC1=CC=CN=C1 BB_SC-03000 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 ClCC1=CC=NC=C1 BB_SC-02999 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.2 NCC1=CN=CC=C1 BB_SC-12559 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.2 NNC1=NC=CC=C1 BB_SC-07490 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.4 CC1=CC=CC(C)=N1 BB_SC-06945 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.4 CC1=CC=CC(N)=N1 BB_SC-06591 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.4 CC1=CC=NC(C)=C1 BB_SC-06947 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.4 NC1=CC(S)=CC=C1 BB_SC-04635 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.4 NC1=CC=CC(N)=N1 BB_SC-08890 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.4 NC1=CC=NC(Cl)=C1 BB_SC-02987 [2,0,0,0,0,0|1,1,0]=4 68 B8R1.4 NC1=NC=CC(Cl)=C1 BB_SC-06262 [2,0,0,0,0,0|1,1,0]=4 69 B10R1.2 CCC1=C(O)C(=O)C=CO1 BB_NC-03221 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.8 NNC1=CC(F)=CC(F)=C1 BB_SC-06251 [1,1,0,0,0,0|1,1,0]=4 71 B10R1.30 NNC1=CC(F)=CC=C1Cl BB_SC-06429 [1,1,0,0,0,0|1,1,0]=4 72 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB_SC-06583 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.30 O=CC1=CC(Br)=CC=C1F BB_SC-04541 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.113 NC(=O)C1=CC=CC(N)=C1 BB_SC-07456 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.176 NCC1=CC(Cl)=C(O)C=C1 BB_SC-12456 [1,1,0,0,0,0|0,1,0]=3 78 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 BB_SC-04540 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.1 NC1=CC=C(CCO)C=C1 BB_SC-12672 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.1 NCCC1=CC=C(F)C=C1 BB_SC-03162 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.1 NCCC1=CC=C(O)C=C1 BB_NC-01362 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.4 C=CCC1=CC=CC=C1O BB_SC-01155 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [1,1,0,0,0,0|0,0,1]=3 85 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.17 CNCCC1=NC=CC=C1 BB_SC-03651 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [1,1,0,0,0,0|0,0,0]=2 91 B10R1.17 NCCNC1=NC=CC=N1 BB_SC-07304 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.17 NCCNC1=NC=CC=N1 BB_SC-10972 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [1,1,0,0,0,0|0,0,0]=2 95 B10R1.17 OCC#CC1=CC=CC=C1 BB_SC-02014 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.17 S=C=NCC1=CC=CC=C1 BB_SC-06549 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [1,1,0,0,0,0|0,0,1]=3 102 B10R1.18 NC(=S)NC1=CC=CC=C1 BB_SC-06692 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.17 [C@@H](O)(CNC)C1=CC=CC(O)=C1 BB_NC-00040 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.367 CCC(C)C1=CC(N)=C(O)C=C1 BB_SC-00358 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB_SC-11037 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.28 FC1=CC=CC(CSCCCl)=C1 BB_SC-03144 [0,2,0,0,0,0|1,1,0]=4 108 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BB_SC-07737 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 BB_SC-08223 [0,2,0,0,0,0|0,1,1]=4 110 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BB_SC-11395 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.382 N#CC1=CC(OCCN)=NC=C1 BB_SC-12609 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.382 O=CC1=CC=CC(OCCBr)=C1 BB_SC-04905 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BB_NC-00503 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.288 CCCC1=CC(O)=C(OC)C=C1 BB_NC-00502 [0,2,0,0,0,0|2,0,0]=4 115 B10R2.6 C1=CC=C(C2CO2)C=C1 BB_NC-02270 [1,0,0,1,0,0|1,0,0]=3 116 B10R2.7 C1=CC2=C(C=C1)NC=C2 BB_NC-02223 [1,0,0,1,0,0|0,0,2]=4 117 B10R2.7 C1=CC2=C(C=C1)NCC2 BB_SC-00077 [1,0,0,1,0,0|0,0,0]=2 118 B12R2.24 NC1=CC=C2OCCOC2=C1 BB_SC-05353 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.612 NC1=NNC2=CC(Br)=CC=C21 BB_SC-10755 [0,1,0,1,0,0|1,0,1]=4 120 B12R2.606 NC1=NC2=CC=C(Br)C=C2S1 BB_SC-10034 [0,1,0,1,0,0|1,0,1]=4 121 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 BB_SC-04983 [0,1,0,1,0,0|0,1,1]=4 122 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 BB_SC-05274 [0,1,0,1,0,0|0,1,1]=4 123 B8R1.1 CC1=CC=C(CN)O1 BB_SC-07231 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.11 NCC1=CC=CN1C BB_SC-10080 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.8 NCCC1=CC=CO1 BB_SC-03286 [1,0,0,0,1,0|1,0,0]=3 126 B8R1.8 NCCC1=CNC=N1 BB_NC-01195 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.8 NCCN1C=CC=N1 BB_SC-11753 [1,0,0,0,1,0|2,0,0]=4 128 B8R1.8 NCCN1C=CN=C1 BB_SC-11752 [1,0,0,0,1,0|2,0,0]=4