0 B5R1.1 C1=CNC=C1 BB_SC-07205 [0,0,0,0,0,0|0,0,0]=0 1 B5R1.1 C1=CNC=N1 BB_SC-06938 [0,0,0,0,0,0|1,0,0]=1 2 B5R1.1 C1=CNN=C1 BB_SC-04986 [0,0,0,0,0,0|1,0,0]=1 3 B5R1.1 C1=COCC1 BB_SC-06597 [0,0,0,0,0,0|1,0,2]=3 4 B5R1.1 C1=CON=C1 BB_SC-08801 [0,0,0,0,0,0|1,0,1]=2 5 B5R1.1 C1=CSC=N1 BB_SC-08800 [0,0,0,0,0,0|1,0,1]=2 6 B5R1.1 C1=NNN=N1 BB_SC-06554 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 BrC1=CN=CN1 BB_SC-06082 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 BrC1=CNN=C1 BB_SC-05016 [0,1,0,0,0,0|1,0,0]=2 9 B6R1.2 BrC1=NC=CS1 BB_SC-04599 [0,1,0,0,0,0|1,0,1]=3 10 B6R1.2 BrC1=NN=CN1 BB_SC-05899 [0,1,0,0,0,0|2,0,0]=3 11 B6R1.2 CC1=CC=NN1 BB_SC-03908 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 CC1=NC=CN1 BB_SC-06891 [0,1,0,0,0,0|1,0,0]=2 13 B6R1.2 CN1C=CC=N1 BB_SC-04178 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 CN1C=CN=C1 BB_SC-06980 [0,1,0,0,0,0|1,0,0]=2 15 B6R1.2 ClC1=CC=CS1 BB_SC-08899 [0,1,0,0,0,0|1,0,0]=2 16 B6R1.2 ClC1=CNN=C1 BB_SC-08868 [0,1,0,0,0,0|1,0,0]=2 17 B6R1.2 ClC1=NNC=N1 BB_SC-01394 [0,1,0,0,0,0|2,0,0]=3 18 B6R1.2 ClC1=NSN=C1 BB_SC-11187 [0,1,0,0,0,0|2,0,1]=4 19 B6R1.2 IC1=CNN=C1 BB_SC-04601 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 IC1=NNC=N1 BB_SC-01397 [0,1,0,0,0,0|2,0,0]=3 21 B6R1.2 NC1=CC=NN1 BB_SC-08263 [0,1,0,0,0,0|1,0,0]=2 22 B6R1.2 NC1=CNN=C1 BB_SC-05260 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 NC1=CNN=C1 BB_SC-10964 [0,1,0,0,0,0|1,0,0]=2 24 B6R1.2 NC1=NC=CN1 BB_SC-09635 [0,1,0,0,0,0|1,0,0]=2 25 B6R1.2 NC1=NC=CS1 BB_SC-10668 [0,1,0,0,0,0|1,0,1]=3 26 B6R1.2 NC1=NN=CS1 BB_SC-06477 [0,1,0,0,0,0|2,0,1]=4 27 B6R1.2 NC1=NN=NN1 BB_SC-06700 [0,1,0,0,0,0|3,0,0]=4 28 B6R1.2 NC1=NN=NN1 BB_SC-10970 [0,1,0,0,0,0|3,0,0]=4 29 B6R1.2 NC1=NNC=N1 BB_SC-00044 [0,1,0,0,0,0|2,0,0]=3 30 B6R1.2 NC1=NOC=C1 BB_SC-12691 [0,1,0,0,0,0|1,0,1]=3 31 B6R1.2 NN1C=NN=C1 BB_SC-06471 [0,1,0,0,0,0|2,0,0]=3 32 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,1,0,0,0,0|1,0,2]=4 33 B6R1.2 O=C1OC=CO1 BB_SC-06550 [0,1,0,0,0,0|2,0,0]=3 34 B6R1.2 OC1=NC=NN1 BB_SC-02863 [0,1,0,0,0,0|2,0,0]=3 35 B6R1.2 S=C1NCCN1 BB_SC-06569 [0,1,0,0,0,0|1,0,2]=4 36 B6R1.2 SC1=NNC=N1 BB_SC-05575 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.2 CC=CCO BB_NC-02275 [0,0,1,0,0,0|1,0,2]=4 38 B4R0.2 C\C=C\C#N BB_SC-12445 [0,0,1,0,0,0|0,0,3]=4 39 B4R0.2 C\C=C\C=O BB_SC-06898 [0,0,1,0,0,0|1,0,1]=3 40 B6R1.1 C1=CC=[NH+]C=C1 BB_SC-07082 [0,0,0,0,0,1|0,0,1]=2 41 B6R1.1 C1=CC=[NH+]C=C1 BB_SC-11518 [0,0,0,0,0,1|0,0,1]=2 42 B6R1.1 C1=CN=NC=C1 BB_SC-07118 [0,0,0,0,0,1|0,0,1]=2 43 B6R1.1 C1=COCCC1 BB_SC-07074 [0,0,0,0,0,1|1,0,2]=4 44 B3R0.1 C=CC#N BB_SC-05732 [1,0,1,0,0,0|0,0,2]=4 45 B3R0.1 CNC=O BB_SC-06939 [1,0,1,0,0,0|1,0,1]=4 46 B3R0.1 O=CC=O BB_SC-07204 [1,0,1,0,0,0|2,0,0]=4 47 B5R0.1 C=COC(C)=O BB_SC-12396 [0,1,1,0,0,0|1,0,1]=4 48 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [0,1,1,0,0,0|1,0,1]=4 49 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,1,1,0,0,0|1,0,1]=4 50 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,1,1,0,0,0|1,0,1]=4 51 B7R1.3 BrC1=CC=CC=N1 BB_SC-04785 [0,1,0,0,0,1|0,0,1]=3 52 B7R1.3 BrC1=CC=NC=C1 BB_SC-02988 [0,1,0,0,0,1|0,0,1]=3 53 B7R1.3 BrC1=CN=CC=C1 BB_SC-04786 [0,1,0,0,0,1|0,0,1]=3 54 B7R1.3 CC1=CC=NC=C1 BB_SC-07024 [0,1,0,0,0,1|0,0,1]=3 55 B7R1.3 ClC1=CC=CC=N1 BB_SC-06726 [0,1,0,0,0,1|0,0,1]=3 56 B7R1.3 ClC1=NC=CC=N1 BB_SC-02990 [0,1,0,0,0,1|0,0,1]=3 57 B7R1.3 ClC1=NC=CN=C1 BB_SC-07206 [0,1,0,0,0,1|0,0,1]=3 58 B7R1.3 FC1=CC=CC=N1 BB_SC-03368 [0,1,0,0,0,1|0,0,1]=3 59 B7R1.3 IC1=CC=NC=C1 BB_SC-02996 [0,1,0,0,0,1|0,0,1]=3 60 B7R1.3 NC1=CC=CN=C1 BB_SC-06592 [0,1,0,0,0,1|0,0,1]=3 61 B7R1.3 NC1=CC=NC=C1 BB_SC-06974 [0,1,0,0,0,1|0,0,1]=3 62 B7R1.3 NC1=NC=CC=C1 BB_SC-06704 [0,1,0,0,0,1|0,0,1]=3 63 B7R1.3 NC1=NC=CC=N1 BB_SC-06567 [0,1,0,0,0,1|0,0,1]=3 64 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,1,0,0,0,1|1,0,1]=4 65 B7R1.3 OC1=CN=CC=C1 BB_SC-00238 [0,1,0,0,0,1|0,0,1]=3 66 B7R1.3 OC1=NC=CC=C1 BB_SC-07237 [0,1,0,0,0,1|0,0,1]=3 67 B7R1.3 SC1=NC=CC=N1 BB_SC-06856 [0,1,0,0,0,1|0,0,1]=3 68 B7R1.1 CCC1=NC=CN1 BB_SC-07161 [0,2,0,0,0,0|1,0,0]=3 69 B7R1.1 COC1=NC=CS1 BB_SC-12407 [0,2,0,0,0,0|1,0,1]=4 70 B7R1.1 NCC1=CC=CO1 BB_SC-06537 [0,2,0,0,0,0|1,0,0]=3 71 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [0,2,0,0,0,0|0,0,0]=2 72 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [0,2,0,0,0,0|1,0,0]=3 73 B7R1.1 O=CC1=CNC=N1 BB_SC-12411 [0,2,0,0,0,0|1,0,0]=3 74 B7R1.1 O=CC1=CSC=C1 BB_SC-09203 [0,2,0,0,0,0|1,0,0]=3 75 B7R1.2 CC1=CC(C)=NN1 BB_SC-02785 [0,2,0,0,0,0|1,0,0]=3 76 B7R1.2 CC1=CC(N)=NN1 BB_SC-06362 [0,2,0,0,0,0|1,0,0]=3 77 B7R1.2 CC1=CC(N)=NO1 BB_NC-00012 [0,2,0,0,0,0|1,0,1]=4 78 B7R1.2 CC1=CC(O)=NO1 BB_SC-10988 [0,2,0,0,0,0|1,0,1]=4 79 B7R1.2 CC1=CN=C(Br)S1 BB_SC-08425 [0,2,0,0,0,0|1,0,1]=4 80 B7R1.2 CC1=CN=C(Cl)S1 BB_SC-08359 [0,2,0,0,0,0|1,0,1]=4 81 B7R1.2 CC1=CN=C(N)S1 BB_SC-07259 [0,2,0,0,0,0|1,0,1]=4 82 B7R1.2 CC1=CNC(C)=N1 BB_SC-07154 [0,2,0,0,0,0|1,0,0]=3 83 B7R1.2 CC1=NC(Br)=NN1 BB_SC-10683 [0,2,0,0,0,0|2,0,0]=4 84 B7R1.2 CC1=NC(Cl)=NN1 BB_SC-01455 [0,2,0,0,0,0|2,0,0]=4 85 B7R1.2 CC1=NC(N)=NN1 BB_SC-06184 [0,2,0,0,0,0|2,0,0]=4 86 B7R1.2 CC1=NNC(=O)C1 BB_SC-06921 [0,2,0,0,0,0|1,0,1]=4 87 B7R1.2 CC1=NOC(N)=C1 BB_SC-03667 [0,2,0,0,0,0|1,0,1]=4 88 B7R1.2 CN1C=C(Br)C=N1 BB_SC-06366 [0,2,0,0,0,0|1,0,0]=3 89 B7R1.2 CN1C=C(I)C=N1 BB_SC-12417 [0,2,0,0,0,0|1,0,0]=3 90 B7R1.2 CN1C=CC(N)=N1 BB_SC-10133 [0,2,0,0,0,0|1,0,0]=3 91 B7R1.2 CN1C=NC(Br)=C1 BB_SC-12621 [0,2,0,0,0,0|1,0,0]=3 92 B7R1.2 CN1C=NC(Br)=N1 BB_SC-10499 [0,2,0,0,0,0|2,0,0]=4 93 B7R1.2 CN1C=NC(Cl)=N1 BB_SC-10826 [0,2,0,0,0,0|2,0,0]=4 94 B7R1.2 ClC1=NNC(Br)=N1 BB_SC-10017 [0,2,0,0,0,0|2,0,0]=4 95 B7R1.2 ClC1=NNC(Cl)=N1 BB_SC-01578 [0,2,0,0,0,0|2,0,0]=4 96 B7R1.2 NC1=CC(=O)CC1 BB_SC-06410 [0,2,0,0,0,0|1,0,1]=4 97 B7R1.2 NC1=CC(O)=NO1 BB_SC-11092 [0,2,0,0,0,0|1,0,1]=4 98 B7R1.2 NC1=NN=C(S)N1 BB_SC-05132 [0,2,0,0,0,0|2,0,0]=4 99 B7R1.2 NC1=NNC(=O)C1 BB_SC-09099 [0,2,0,0,0,0|1,0,1]=4 100 B7R1.2 O=C1C=C(Cl)CC1 BB_SC-06411 [0,2,0,0,0,0|1,0,1]=4 101 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [0,2,0,0,0,0|1,0,1]=4 102 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [0,2,0,0,0,0|0,0,2]=4 103 B7R1.2 O=C1CNC(=O)N1 BB_NC-02287 [0,2,0,0,0,0|1,0,1]=4 104 B7R1.2 O=C1CNC(=S)N1 BB_SC-12671 [0,2,0,0,0,0|1,0,1]=4 105 B7R1.2 O=C1CNC(=S)S1 BB_SC-06897 [0,2,0,0,0,0|1,0,1]=4 106 B7R1.2 O=C1CSC(=O)N1 BB_SC-06863 [0,2,0,0,0,0|1,0,1]=4 107 B7R1.2 O=C1CSC(=S)N1 BB_SC-12361 [0,2,0,0,0,0|1,0,1]=4 108 B7R1.2 O=C1NN=C(Cl)N1 BB_SC-08396 [0,2,0,0,0,0|2,0,0]=4 109 B7R1.2 OC1=NC(Br)=NN1 BB_SC-11190 [0,2,0,0,0,0|2,0,0]=4 110 B7R1.2 [O-][N+]1=CN(O)C=C1 BB_SC-05343 [0,2,0,0,0,0|1,0,0]=3 111 B7R1.4 CC1=CC=NN1C BB_SC-02404 [0,2,0,0,0,0|1,0,0]=3 112 B7R1.4 CC1=NC=CN1C BB_SC-06893 [0,2,0,0,0,0|1,0,0]=3 113 B7R1.4 CC1=NNC=C1Br BB_SC-09356 [0,2,0,0,0,0|1,0,0]=3 114 B7R1.4 CC1=NNC=C1Cl BB_SC-10393 [0,2,0,0,0,0|1,0,0]=3 115 B7R1.4 CC1=NNC=C1Cl BB_SC-12024 [0,2,0,0,0,0|1,0,0]=3 116 B7R1.4 CC1=NNC=C1I BB_SC-09357 [0,2,0,0,0,0|1,0,0]=3 117 B7R1.4 CC1=NNC=C1N BB_SC-10129 [0,2,0,0,0,0|1,0,0]=3 118 B7R1.4 CN1C=CN=C1S BB_SC-01357 [0,2,0,0,0,0|1,0,0]=3 119 B7R1.4 CN1C=NN=C1S BB_SC-05513 [0,2,0,0,0,0|2,0,0]=4 120 B7R1.4 ClC1=C(Cl)NC=N1 BB_SC-05736 [0,2,0,0,0,0|1,0,0]=3 121 B7R1.4 IC1=C(I)NC=N1 BB_SC-05874 [0,2,0,0,0,0|1,0,0]=3 122 B7R1.4 NC1=NNC=C1Br BB_SC-03990 [0,2,0,0,0,0|1,0,0]=3 123 B7R1.24 C1=CC=CCC=C1 BB_SC-06674 [0,0,0,0,0,2|1,0,0]=3