0 B11R1.16 CCCC(=O)C1=CC=CC=C1 BB_SC-06998 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.16 CCOC(=O)C1=CC=CC=C1 BB_SC-07029 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB_SC-06515 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.16 CCOC(=O)C1=NC=CC=C1 BB_SC-12669 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.16 N#CCC(=O)C1=CC=CC=C1 BB_SC-05743 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [1,0,0,0,0,0|0,0,0]=1 6 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [1,0,0,0,0,0|0,0,0]=1 7 B10R1.15 COC(=O)C1=CN=CC=C1 BB_SC-06260 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.15 NNC(=O)C1=CC=NC=C1 BB_SC-06246 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB_SC-12259 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.17 N#C\C=C\C1=CC=CC=C1 BB_SC-12715 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 OCC#CC1=CC=CC=C1 BB_SC-02014 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 BB_SC-06976 [0,1,0,0,0,0|0,0,0]=1 24 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 BB_SC-00019 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 BB_SC-07124 [0,1,0,0,0,0|0,0,0]=1 26 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BB_SC-07010 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB_SC-07343 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.30 NCCNC(=O)C1=CC=NC=C1 BB_SC-01534 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 BB_SC-05337 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB_SC-00115 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.308 CCOC(=O)C1=CC=CC=C1N BB_SC-07215 [0,1,0,0,0,0|0,0,0]=1 32 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 BB_SC-05409 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.1081 O=C1CCCC2=CC=CC=C12 BB_SC-01603 [0,0,0,1,0,0|1,0,0]=2 34 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BB_NC-00158 [0,0,0,1,0,0|2,0,0]=3 35 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 BB_SC-06343 [0,0,0,1,0,0|2,0,1]=4 36 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 BB_SC-06345 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 BB_SC-06710 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 BB_SC-12392 [0,0,0,1,0,0|2,0,1]=4 39 B12R2.2028 O=C1OC(=O)C2=C1C=CC=N2 BB_SC-05459 [0,0,0,1,0,0|2,0,1]=4 40 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BB_SC-05481 [0,0,0,1,0,0|1,0,0]=2 41 B10R1.11 CCOC(=O)C1=CC=NN1 BB_SC-03684 [0,0,0,0,1,0|2,0,0]=3 42 B12R1.32 CCOC(=O)NC1=CC=CC=C1 BB_SC-06698 [0,0,0,0,0,1|0,0,0]=1 43 B12R1.32 CNCC(=O)NC1=CC=CN=C1 BB_SC-06037 [0,0,0,0,0,1|3,0,0]=4 44 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BB_SC-08136 [0,0,0,0,0,1|2,0,0]=3 45 B12R1.32 NCCC(=O)NC1=CC=NC=C1 BB_SC-08607 [0,0,0,0,0,1|3,0,0]=4 46 B12R1.32 NCCC(=O)NC1=CN=CC=C1 BB_SC-08606 [0,0,0,0,0,1|3,0,0]=4 47 B12R1.32 NCCC(=O)NC1=NC=CC=C1 BB_SC-08829 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.6 CC(=O)C1=CC=NC=C1 BB_SC-12406 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.6 CC(=O)C1=NC=CN=C1 BB_SC-12418 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [2,0,0,0,0,0|1,0,1]=4 53 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [2,0,0,0,0,0|1,0,1]=4 54 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 NC(=O)C1=CC=CN=C1 BB_NC-02290 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 NC(=O)C1=CC=NC=C1 BB_SC-06660 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.6 O=C(Cl)C1=CN=CC=C1 BB_SC-06783 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.6 O=C(O)C1=CC=CN=C1 BB_SC-12613 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.6 O=C(O)C1=CC=NC=C1 BB_SC-07270 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.6 O=C(O)C1=CN=CC=N1 BB_SC-05383 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.6 O=C([O-])C1=NC=CC=C1 BB_SC-07257 [2,0,0,0,0,0|1,0,1]=4 62 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [2,0,0,0,0,0|1,0,1]=4 65 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [2,0,0,0,0,0|0,0,1]=3 66 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [2,0,0,0,0,0|1,0,1]=4 67 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [2,0,0,0,0,0|1,0,1]=4 68 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 BB_SC-06931 [1,1,0,0,0,0|0,0,0]=2 70 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BB_SC-06905 [1,1,0,0,0,0|0,0,0]=2 71 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB_SC-07445 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BB_NC-02783 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB_SC-11368 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BB_SC-00086 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BB_SC-06259 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 BB_SC-07012 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BB_SC-06986 [1,1,0,0,0,0|0,0,0]=2 78 B11R1.23 CNC(=O)C1=CC(Cl)=NC=C1 BB_SC-09888 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 BB_SC-07457 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 BB_SC-07528 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 BB_SC-09886 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 BB_SC-06671 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 BB_SC-06886 [1,1,0,0,0,0|0,0,0]=2 84 B11R1.222 CNC(=O)C1=CC=CC=C1O BB_SC-00487 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.222 COC(=O)C1=CC=CC=C1N BB_SC-02799 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.222 COC(=O)C1=CC=CC=C1O BB_SC-07170 [1,1,0,0,0,0|0,0,0]=2 87 B11R1.222 COC(=O)C1=CC=CN=C1N BB_SC-05275 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.222 COC(=O)C1=NC=CN=C1N BB_SC-03277 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BB_SC-00083 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.28 NCCCNC1=CC=CC=C1 BB_SC-07342 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.28 NCCNCC1=CC=CC=C1 BB_SC-11219 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.28 NCCOCC1=CC=CC=C1 BB_SC-12131 [1,1,0,0,0,0|0,0,1]=3 96 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.91 CC(O)C#CC1=CC=CC=C1 BB_SC-02013 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.15 CCOC(=O)C1=CC(C)=NN1 BB_SC-03685 [0,1,0,0,1,0|2,0,0]=4 101 B11R1.15 CCOC(=O)C1=CC(C)=NO1 BB_SC-09173 [0,1,0,0,1,0|2,0,0]=4 102 B11R1.15 CCOC(=O)C1=NOC(C)=C1 BB_SC-09039 [0,1,0,0,1,0|2,0,0]=4 103 B11R1.29 O=C(CCCCl)C1=CC=CS1 BB_SC-03061 [0,1,0,0,1,0|2,0,0]=4 104 B11R1.199 CCOC(=O)C1=C(C)NC=N1 BB_SC-10883 [0,1,0,0,1,0|2,0,0]=4 105 B11R1.199 CCOC(=O)C1=C(N)NN=C1 BB_SC-01588 [0,1,0,0,1,0|2,0,0]=4 106 B11R1.199 CCOC(=O)C1=C(N)ON=C1 BB_SC-10483 [0,1,0,0,1,0|2,0,0]=4 107 B11R1.199 CCOC(=O)C1=C(O)ON=C1 BB_SC-11877 [0,1,0,0,1,0|2,0,0]=4 108 B13R1.19 COCC(=O)NC1=CC=C(N)C=C1 BB_SC-10211 [0,1,0,0,0,1|2,0,0]=4 109 B13R1.19 NCCC(=O)NC1=CC=C(Br)C=C1 BB_SC-08603 [0,1,0,0,0,1|2,0,0]=4 110 B13R1.19 NCCC(=O)NC1=CC=C(Cl)C=C1 BB_SC-08518 [0,1,0,0,0,1|2,0,0]=4 111 B13R1.20 NCCC(=O)NC1=CC=CC(Cl)=C1 BB_SC-08517 [0,1,0,0,0,1|2,0,0]=4 112 B13R1.44 CNCCC(=O)NC1=CC=CC=C1 BB_SC-08649 [0,1,0,0,0,1|1,0,0]=3 113 B13R1.44 CNCCC(=O)NC1=CC=CN=C1 BB_SC-11115 [0,1,0,0,0,1|2,0,0]=4 114 B13R1.44 NCCCC(=O)NC1=CC=NC=C1 BB_SC-10519 [0,1,0,0,0,1|2,0,0]=4 115 B13R1.44 NCCCC(=O)NC1=CN=CC=C1 BB_SC-10518 [0,1,0,0,0,1|2,0,0]=4 116 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 BB_SC-09240 [0,1,0,0,0,1|1,0,0]=3 117 B13R1.47 CN(C(=O)CCN)C1=CC=CC=C1 BB_SC-08601 [0,1,0,0,0,1|2,0,0]=4 118 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB_SC-05457 [0,1,0,0,0,1|1,0,1]=4 119 B13R1.470 NCCC(=O)NC1=C(Cl)C=CC=C1 BB_SC-08516 [0,1,0,0,0,1|2,0,0]=4 120 B13R1.17 CCCOC(=O)C1=CC=C(O)C=C1 BB_SC-07060 [0,2,0,0,0,0|0,0,0]=2 121 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 BB_SC-08379 [0,2,0,0,0,0|1,0,0]=3 122 B13R1.17 O=C(CCCCl)C1=CC=C(Cl)C=C1 BB_SC-07382 [0,2,0,0,0,0|1,0,0]=3 123 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 BB_SC-07144 [0,2,0,0,0,0|1,0,0]=3 124 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 BB_SC-07440 [0,2,0,0,0,0|1,0,0]=3 125 B13R1.132 CC(C)OC(=O)C1=CC=C(N)C=C1 BB_SC-01353 [0,2,0,0,0,0|0,0,0]=2 126 B13R1.1511 CCOC(=O)C1=C(N)NC(=O)N=C1 BB_SC-10872 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.18 NC1=CC(C(=O)NCCO)=CC=C1 BB_SC-08502 [0,2,0,0,0,0|1,0,0]=3 128 B13R1.147 CC(C)NC(=O)C1=CC=CC(N)=C1 BB_SC-07449 [0,2,0,0,0,0|1,0,0]=3 129 B13R1.446 CCOC(=O)C1=CC(Cl)=CN=C1Cl BB_SC-03281 [0,2,0,0,0,0|1,0,0]=3 130 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 BB_SC-05581 [0,2,0,0,0,0|1,0,0]=3 131 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 BB_NC-00259 [0,2,0,0,0,0|1,0,1]=4 132 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 BB_NC-01748 [0,2,0,0,0,0|1,0,1]=4 133 B11R2.1 NC1=NCC2=C1C=CC=C2 BB_SC-00005 [1,0,0,1,0,0|2,0,0]=4 134 B11R2.1 O=C1OCC2=C1C=CC=C2 BB_SC-05507 [1,0,0,1,0,0|0,0,0]=2 135 B11R2.20 C1=CC2=C(C=C1)CNCC2 BB_NC-02179 [1,0,0,1,0,0|1,0,1]=4 136 B11R2.20 C1=CC=C2NCCCC2=C1 BB_SC-07271 [1,0,0,1,0,0|2,0,0]=4 137 B11R2.106 O=C1CCCC2=C1C=CN2 BB_SC-01485 [0,0,0,1,1,0|2,0,0]=4 138 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 BB_SC-06595 [0,0,0,1,0,1|2,0,0]=4 139 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 BB_NC-00461 [0,0,0,1,0,1|1,0,1]=4 140 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 BB_SC-04193 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 BB_SC-09363 [0,1,0,1,0,0|1,0,1]=4 142 B13R2.1613 NCC1OCCC2=C1C=CC=C2 BB_SC-02761 [0,1,0,1,0,0|1,0,1]=4 143 B13R2.2931 CN1C=C(C=O)C2=C1C=CC=C2 BB_NC-00201 [0,1,0,1,0,0|2,0,0]=4 144 B13R2.5179 CC1=CC=C2C(=O)CCCC2=N1 BB_SC-10486 [0,1,0,1,0,0|2,0,0]=4 145 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 BB_SC-06607 [0,1,0,1,0,0|1,0,1]=4 146 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O BB_SC-11996 [0,1,0,1,0,0|1,0,1]=4 147 B13R2.371 CN1C=CC(=O)C2=CC=CC=C21 BB_NC-02575 [0,1,0,1,0,0|1,0,1]=4 148 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 BB_SC-05354 [0,1,0,1,0,0|1,0,0]=3 149 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 BB_NC-02391 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.11 COC(=O)C1=NNC=C1 BB_SC-04725 [1,0,0,0,1,0|2,0,0]=4 151 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 BB_SC-05179 [0,0,0,0,0,2|2,0,0]=4 152 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 BB_SC-08604 [0,0,0,0,0,2|2,0,0]=4