0 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 CNCCC1=NC=CC=C1 BB_SC-03651 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 N#C\C=C\C1=CC=CC=C1 BB_SC-12715 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 OCC#CC1=CC=CC=C1 BB_SC-02014 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 S=C=NCC1=CC=CC=C1 BB_SC-06549 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 N#CCC1=NC=CC=C1 BB_SC-05130 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 S=C=NC1=CC=CC=C1 BB_SC-09412 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.1 CC1=CC=C(CN=C=S)C=C1 BB_SC-01800 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.1 NC1=CC=C(OCCO)C=C1 BB_SC-08224 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.1 NCCOC1=CC=C(Br)C=C1 BB_SC-11794 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.1 NCCOC1=CC=C(Cl)C=C1 BB_SC-11793 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.16 CC(N=C=S)C1=CC=CC=C1 BB_SC-01802 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.16 CCCC(=O)C1=CC=CC=C1 BB_SC-06998 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.16 CCOC(=O)C1=CC=CC=C1 BB_SC-07029 [0,1,0,0,0,0|0,0,1]=2 36 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB_SC-06515 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.16 CCOC(=O)C1=NC=CC=C1 BB_SC-12669 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.17 NC1=C(OCCO)C=CC=C1 BB_SC-09062 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.24 NC1=CC(OCCO)=CC=C1 BB_SC-09611 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.28 CCCCCC1=CC=CC=N1 BB_NC-00787 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.28 NCCCNC1=CC=CC=C1 BB_SC-07342 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.28 NCCNCC1=CC=CC=C1 BB_SC-11219 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.28 NCCOCC1=CC=CC=C1 BB_SC-12131 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.28 S=C=NCCC1=CC=CC=C1 BB_NC-02795 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB_SC-09060 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB_SC-00267 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BB_SC-02103 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [0,1,0,0,0,0|1,0,2]=4 53 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.91 CC(O)C#CC1=CC=CC=C1 BB_SC-02013 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [0,1,0,0,0,0|2,0,1]=4 58 B11R2.1 NC1=NCC2=C1C=CC=C2 BB_SC-00005 [0,0,0,1,0,0|2,0,1]=4 59 B11R2.1 O=C1OCC2=C1C=CC=C2 BB_SC-05507 [0,0,0,1,0,0|1,0,1]=3 60 B11R2.20 C1=CC2=C(C=C1)CNCC2 BB_NC-02179 [0,0,0,1,0,0|1,0,0]=2 61 B11R2.20 C1=CC=C2NCCCC2=C1 BB_SC-07271 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.12 CCNCC1=CC=CO1 BB_SC-01705 [0,0,0,0,1,0|2,0,0]=3 63 B9R1.12 ClCCCN1C=CC=C1 BB_SC-10706 [0,0,0,0,1,0|3,0,0]=4 64 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 ClCC1=CC=CN=C1 BB_SC-03000 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 ClCC1=CC=NC=C1 BB_SC-02999 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 NCC1=CN=CC=C1 BB_SC-12559 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [2,0,0,0,0,0|0,0,0]=2 72 B10R1.1 NC1=CC=C(CCO)C=C1 BB_SC-12672 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.1 NCCC1=CC=C(F)C=C1 BB_SC-03162 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.1 NCCC1=CC=C(O)C=C1 BB_NC-01362 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.4 C=CCC1=CC=CC=C1O BB_SC-01155 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.4 CNCC1=CC=CN=C1Cl BB_SC-12155 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.10 CNCC1=CC(N)=CC=C1 BB_SC-08896 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.10 NCCC1=CC(F)=CC=C1 BB_SC-08693 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [1,1,0,0,0,0|0,0,1]=3 80 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [1,1,0,0,0,0|0,0,1]=3 81 B10R1.15 COC(=O)C1=CN=CC=C1 BB_SC-06260 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [1,1,0,0,0,0|0,0,1]=3 84 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.21 CNCCCC1=CC=CO1 BB_SC-01707 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.66 CC(C)NCC1=CC=CO1 BB_SC-04791 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.66 CC(N)CCC1=CC=CO1 BB_SC-01114 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.1 CCCCOC1=CC=C(N)C=C1 BB_SC-06677 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.1 NCCOCC1=CC=C(Br)C=C1 BB_SC-12608 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 BB_SC-06976 [0,2,0,0,0,0|0,0,1]=3 93 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 BB_SC-00019 [0,2,0,0,0,0|0,0,1]=3 94 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 BB_SC-07124 [0,2,0,0,0,0|0,0,1]=3 95 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 BB_NC-02800 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BB_SC-08128 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.71 CCCOC1=CC=C(C=O)C=C1 BB_SC-07120 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.17 [C@@H](O)(CNC)C1=CC=CC(O)=C1 BB_NC-00040 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BB_SC-07010 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB_SC-07343 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 BB_NC-01383 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BB_NC-02307 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.308 CCOC(=O)C1=CC=CC=C1N BB_SC-07215 [0,2,0,0,0,0|0,0,1]=3 105 B12R1.125 CC(C)NCC1=CC=CN=C1Cl BB_SC-12130 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.267 OCCNCC1=CC=CN=C1Cl BB_SC-12105 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.28 FC1=CC=CC(CSCCCl)=C1 BB_SC-03144 [0,2,0,0,0,0|0,1,0]=3 108 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BB_SC-07737 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.8 CC#CCNCC1=CC=CC=C1 BB_SC-05933 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.8 CCCCNCC1=CC=CC=C1 BB_SC-07064 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB_SC-11680 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.32 CCOC(=O)NC1=CC=CC=C1 BB_SC-06698 [0,2,0,0,0,0|0,0,1]=3 113 B12R1.32 CN(CC#N)CC1=CC=CC=C1 BB_SC-08261 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BB_SC-08136 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BB_SC-06655 [0,2,0,0,0,0|0,1,1]=4 116 B12R1.118 CC\C(C=O)=C\C1=CC=CC=C1 BB_NC-00174 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.118 COC(CC1=CC=CC=C1)OC BB_SC-07095 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 BB_SC-03189 [0,2,0,0,0,0|1,0,1]=4 119 B10R2.6 C1=CC=C(C2CO2)C=C1 BB_NC-02270 [1,0,0,1,0,0|0,0,0]=2 120 B10R2.7 C1=CC2=C(C=C1)NCC2 BB_SC-00077 [1,0,0,1,0,0|1,0,0]=3 121 B12R2.24 O=C1C=C2COCCC2=NN1 BB_SC-09849 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BB_NC-00768 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 BB_SC-05409 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB_SC-06077 [0,1,0,1,0,0|1,0,0]=3 125 B12R2.27 OCC1CC1C2=CC=CC=C2 BB_SC-12728 [0,1,0,1,0,0|1,0,0]=3 126 B12R2.1081 O=C1CCCC2=CC=CC=C12 BB_SC-01603 [0,1,0,1,0,0|1,0,1]=4 127 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BB_SC-05481 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.32 NCC1CC2=CC=CC=C2O1 BB_SC-03440 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.32 OCC1CC2=CC=CC=C2O1 BB_SC-02420 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 BB_SC-10754 [0,1,0,1,0,0|1,0,1]=4 131 B12R2.2057 C1=CC(CNC2CC2)=CN=C1 BB_SC-04265 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 BB_SC-05555 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 BB_SC-08808 [0,1,0,1,0,0|2,0,0]=4 134 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 BB_SC-05461 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.8 NCCC1=CC=CO1 BB_SC-03286 [1,0,0,0,1,0|2,0,0]=4