0 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 BB_SC-06976 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 BB_SC-00019 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 BB_SC-07124 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.1 NC1=CC=C(OCCO)C=C1 BB_SC-08224 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.16 CCCC(=O)C1=CC=CC=C1 BB_SC-06998 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.16 CCOC(=O)C1=CC=CC=C1 BB_SC-07029 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB_SC-06515 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.16 CCOC(=O)C1=NC=CC=C1 BB_SC-12669 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.16 N#CCC(=O)C1=CC=CC=C1 BB_SC-05743 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 BB_SC-06931 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BB_SC-06905 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB_SC-07445 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BB_NC-02783 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB_SC-11368 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BB_SC-00086 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BB_SC-06259 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 BB_SC-07012 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.17 CCCOC(=O)C1=CC=C(O)C=C1 BB_SC-07060 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 BB_SC-08379 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.17 O=C(CCCCl)C1=CC=C(Cl)C=C1 BB_SC-07382 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 BB_SC-07144 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 BB_SC-07440 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.132 CC(C)OC(=O)C1=CC=C(N)C=C1 BB_SC-01353 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.1511 CCOC(=O)C1=C(N)NC(=O)N=C1 BB_SC-10872 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 BB_SC-08832 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.5179 CC1=CC=C2C(=O)CCCC2=N1 BB_SC-10486 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.5187 NC1=CC=C2C(=O)NC(=O)C2=C1 BB_SC-00031 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 BB_SC-06607 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.15 CCOC(=O)C1=CC(C)=NN1 BB_SC-03685 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.15 CCOC(=O)C1=CC(C)=NO1 BB_SC-09173 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.15 CCOC(=O)C1=NOC(C)=C1 BB_SC-09039 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.19 COCC(=O)NC1=CC=C(N)C=C1 BB_SC-10211 [0,0,0,0,0,1|2,0,0]=3 34 B13R1.19 NCCC(=O)NC1=CC=C(Br)C=C1 BB_SC-08603 [0,0,0,0,0,1|3,0,0]=4 35 B13R1.19 NCCC(=O)NC1=CC=C(Cl)C=C1 BB_SC-08518 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.1 NC1=CC=C(CCO)C=C1 BB_SC-12672 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [2,0,0,0,0,0|0,0,0]=2 42 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [2,0,0,0,0,0|0,0,0]=2 43 B10R1.15 COC(=O)C1=CN=CC=C1 BB_SC-06260 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [2,0,0,0,0,0|0,0,0]=2 50 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.13 CC(C)C1=CC=C(N)C=C1 BB_SC-12018 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BB_SC-07955 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BB_SC-05091 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.13 NC1=CC=C(C(=O)O)C=N1 BB_SC-05191 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BB_SC-06735 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.13 O=C(O)C1=CC=C(F)C=C1 BB_SC-06507 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 BB_SC-12681 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 BB_SC-03259 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BB_NC-01873 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB_NC-02200 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.1 CCCCOC1=CC=C(N)C=C1 BB_SC-06677 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.1 NCCOCC1=CC=C(Br)C=C1 BB_SC-12608 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BB_SC-07010 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.30 NCCNC(=O)C1=CC=NC=C1 BB_SC-01534 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB_SC-00115 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.308 CCOC(=O)C1=CC=CC=C1N BB_SC-07215 [1,1,0,0,0,0|0,0,0]=2 69 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 BB_SC-06472 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 BB_SC-01602 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB_NC-02952 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 BB_SC-07001 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.367 CNC(=O)C1=CC(N)=C(F)C=C1 BB_SC-10787 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 BB_SC-07321 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 BB_SC-10105 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 BB_SC-04598 [1,1,0,0,0,0|0,0,0]=2 77 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 BB_SC-02713 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 BB_SC-07594 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 BB_SC-12620 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.1703 O=C(CCl)C1=C(Cl)C=C(Cl)C=C1 BB_SC-05544 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O BB_SC-05956 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.313 CCOC(=O)C1=C(C)SC(N)=N1 BB_SC-04002 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.313 CCOC(=O)C1=C(N)SC(C)=C1 BB_SC-03843 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.313 CCOC(=O)N1OC(N)=CC1=O BB_SC-12025 [0,1,0,0,1,0|2,0,0]=4 85 B14R1.698 CN(C)CC(=O)NC1=CC=C(N)C=C1 BB_SC-07432 [0,1,0,0,0,1|2,0,0]=4 86 B14R1.967 COCC(=O)NC1=CC=C(N)C(Cl)=C1 BB_SC-11601 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.6823 COCC(=O)NC1=C(Cl)C=C(N)C=C1 BB_SC-08275 [0,1,0,0,0,1|2,0,0]=4 88 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 BB_SC-07744 [0,2,0,0,0,0|0,0,0]=2 89 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 BB_NC-00513 [0,2,0,0,0,0|1,0,1]=4 90 B14R1.941 NC1=CC(C(=O)NCCO)=CC=C1Cl BB_SC-07896 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.2523 NC1=CC(Cl)=C(C(=O)NCCO)C=C1 BB_SC-08859 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.6048 CC(C)NC(=O)C1=C(Cl)C=C(N)C=C1 BB_SC-07923 [0,2,0,0,0,0|1,0,0]=3 93 B14R1.6048 CC(C)OC(=O)C1=C(Cl)C=C(N)C=C1 BB_SC-10109 [0,2,0,0,0,0|0,0,0]=2 94 B14R1.18811 CCOC(=O)C1=C(C)OC(=O)C=C1C BB_NC-00443 [0,2,0,0,0,0|2,0,0]=4 95 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 BB_SC-05409 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.1081 O=C1CCCC2=CC=CC=C12 BB_SC-01603 [1,0,0,1,0,0|1,0,0]=3 97 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BB_NC-00158 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BB_SC-05481 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 BB_SC-10754 [1,0,0,1,0,0|0,0,0]=2 100 B12R2.612 O=C1COC2=CC(O)=CC=C12 BB_NC-02097 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.926 NC1=CC=C(N2CCCC2=O)C=C1 BB_SC-09596 [0,0,0,1,0,1|1,0,0]=3 102 B14R2.20 CC1=NN=C(C2=CC=C(N)C=C2)O1 BB_SC-08174 [0,1,0,1,0,0|1,0,1]=4 103 B14R2.933 NC1=CC=C(C(=O)NC2CC2)C=C1 BB_SC-07937 [0,1,0,1,0,0|1,0,0]=3 104 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCC2 BB_NC-00155 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.11 CCOC(=O)C1=CC=NN1 BB_SC-03684 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.32 CCOC(=O)NC1=CC=CC=C1 BB_SC-06698 [1,0,0,0,0,1|0,0,0]=2 107 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BB_SC-08136 [1,0,0,0,0,1|2,0,0]=4