0 B12R1.252 O=C(O)CCNC1=NC=CC=N1 BB_NC-02113 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BB_SC-06655 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BB_SC-00301 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.28 CCCCCC1=CC=CC=N1 BB_NC-00787 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 NCCCNC1=CC=CC=C1 BB_SC-07342 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 NCCNCC1=CC=CC=C1 BB_SC-11219 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 NCCOCC1=CC=CC=C1 BB_SC-12131 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 S=C=NCCC1=CC=CC=C1 BB_NC-02795 [1,0,0,0,0,0|1,1,1]=4 10 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 BB_NC-00259 [0,1,0,0,0,0|0,0,1]=2 11 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 BB_NC-01748 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 BB_SC-10784 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 BB_SC-02870 [0,1,0,0,0,0|0,0,3]=4 14 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB_SC-05457 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 BB_SC-08421 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.513 O=C(O)CNCC1=CC=C(Cl)C=C1 BB_SC-08873 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.718 COC(=O)CCNC1=CC=CC=C1 BB_SC-01542 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 BB_SC-09049 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 BB_SC-07395 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 BB_NC-02788 [0,0,0,1,0,0|1,0,2]=4 21 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 BB_SC-08557 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.187 ClC1(Cl)CC1CC2=CC=CC=C2 BB_SC-05462 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 BB_SC-02661 [0,0,0,1,0,0|1,0,0]=2 24 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 BB_SC-02410 [0,0,0,1,0,0|0,0,0]=1 25 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [0,0,0,0,1,0|1,0,0]=2 26 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [0,0,0,0,1,0|1,0,2]=4 27 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [0,0,0,0,1,0|2,0,1]=4 28 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [0,0,0,0,1,0|2,0,0]=3 30 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BB_SC-06780 [0,0,0,0,1,0|1,0,2]=4 31 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB_SC-06586 [0,0,0,0,1,0|0,0,2]=3 32 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [0,0,0,0,1,0|0,0,0]=1 33 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB_NC-02642 [0,0,0,0,1,0|1,0,0]=2 34 B11R1.91 O=C(O)CNC1=NC=CC=N1 BB_NC-02112 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.91 O=C(O)COC1=CC=CC=C1 BB_SC-06261 [0,0,0,0,1,0|1,0,0]=2 36 B11R1.91 O=C(O)COC1=CC=CN=C1 BB_SC-06065 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB_SC-06233 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB_SC-12379 [0,0,0,0,1,0|0,0,2]=3 39 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 BB_SC-03070 [0,0,0,0,1,0|1,0,2]=4 40 B11R1.172 O=C(O)CCCN1C=CC=C1 BB_SC-12091 [0,0,0,0,1,0|1,0,0]=2 41 B11R1.172 O=C(O)CCCN1C=CC=N1 BB_SC-09297 [0,0,0,0,1,0|2,0,0]=3 42 B11R1.172 O=C(O)CCCN1C=CN=C1 BB_SC-08539 [0,0,0,0,1,0|2,0,0]=3 43 B11R1.172 O=C(O)CCCN1C=NC=N1 BB_SC-08541 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.172 O=C(O)CNCC1=CC=CO1 BB_SC-09207 [0,0,0,0,1,0|2,0,0]=3 45 B13R1.337 CN(C)CCNCC1=CC=CC=C1 BB_SC-05560 [0,0,0,0,0,1|3,0,0]=4 46 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 BB_NC-02114 [0,0,0,0,0,1|2,0,0]=3 47 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.17 OCC#CC1=CC=CC=C1 BB_SC-02014 [2,0,0,0,0,0|0,0,2]=4 54 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [2,0,0,0,0,0|0,0,2]=4 57 B12R1.8 CCCCNCC1=CC=CC=C1 BB_SC-07064 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB_SC-07359 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB_NC-02824 [0,1,0,0,1,0|0,0,0]=2 61 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB_SC-01486 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BB_NC-00339 [0,1,0,0,1,0|0,0,0]=2 63 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB_NC-02990 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BB_NC-02249 [0,1,0,0,1,0|0,0,2]=4 65 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB_SC-06940 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02378 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O BB_NC-03303 [0,1,0,0,1,0|1,0,0]=3 68 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB_SC-00115 [0,1,0,0,1,0|1,0,1]=4 69 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BB_NC-00092 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB_NC-02136 [0,1,0,0,1,0|0,0,0]=2 71 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BB_SC-09488 [0,1,0,0,1,0|0,0,0]=2 72 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BB_SC-07353 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 BB_SC-08039 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BB_NC-02272 [0,1,0,0,1,0|0,0,2]=4 75 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BB_SC-03069 [0,1,0,0,1,0|1,0,0]=3 76 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BB_SC-11395 [0,1,0,0,1,0|0,0,1]=3 77 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 BB_SC-07541 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 BB_NC-02248 [0,1,0,0,1,0|0,0,2]=4 79 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 BB_SC-00158 [0,1,0,0,1,0|1,0,1]=4 80 B12R1.105 O=C(O)CCCN1C=C(Br)C=N1 BB_SC-12127 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.130 CC1=NC=CN1CCCC(=O)O BB_SC-08315 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.477 COC(=O)CNCC1=CC=CO1 BB_SC-09189 [0,1,0,0,1,0|2,0,0]=4 83 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 BB_SC-08422 [0,1,0,0,0,1|0,0,0]=2 84 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 BB_SC-09524 [0,1,0,0,0,1|1,0,1]=4 85 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 BB_SC-06955 [0,1,0,0,0,1|1,0,1]=4 86 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O BB_NC-00534 [0,1,0,0,0,1|0,0,0]=2 87 B14R1.149 NC1=CC(C(=O)NCC(=O)O)=CC=C1 BB_NC-02432 [0,2,0,0,0,0|1,0,1]=4 88 B14R1.540 CCN(CCC(=O)O)C1=CC=CC=C1 BB_SC-06401 [0,2,0,0,0,0|1,0,0]=3 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 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 BB_SC-02412 [0,2,0,0,0,0|0,0,1]=3 91 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 BB_SC-05602 [0,2,0,0,0,0|0,0,1]=3 92 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 BB_SC-03375 [0,2,0,0,0,0|1,0,0]=3 93 B14R1.1025 COC(=O)CCNC1=CC=CC(Cl)=C1 BB_SC-09684 [0,2,0,0,0,0|1,0,0]=3 94 B14R1.4920 O=C(O)CNCC1=C(F)C=CC=C1Cl BB_SC-09191 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 BB_NC-02558 [0,2,0,0,0,0|1,0,0]=3 96 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 BB_SC-09522 [0,2,0,0,0,0|1,0,0]=3 97 B14R1.13 COC(=O)CCNC1=CC=C(F)C=C1 BB_SC-09685 [0,2,0,0,0,0|1,0,0]=3 98 B14R1.520 CNCC(=O)NCCC1=CC=CC=C1 BB_SC-08655 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 BB_SC-08971 [0,2,0,0,0,0|2,0,0]=4 100 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB_SC-06077 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.27 OCC1CC1C2=CC=CC=C2 BB_SC-12728 [1,0,0,1,0,0|0,0,1]=3 102 B12R2.1081 O=C1CCCC2=CC=CC=C12 BB_SC-01603 [1,0,0,1,0,0|0,0,0]=2 103 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BB_NC-00158 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 BB_SC-05555 [1,0,0,1,0,0|1,0,1]=4 105 B12R2.24 O=C1C=CC2=CC=CC=C2O1 BB_NC-00720 [0,0,0,1,1,0|0,0,2]=4 106 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BB_NC-00768 [0,0,0,1,1,0|0,0,0]=2 107 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 BB_SC-11998 [0,0,0,1,1,0|2,0,0]=4 108 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 BB_NC-00373 [0,0,0,1,0,1|0,0,2]=4 109 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 BB_NC-02132 [0,0,0,1,0,1|0,0,2]=4 110 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C21 BB_SC-06299 [0,0,0,1,0,1|1,0,1]=4 111 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 BB_SC-05539 [0,1,0,1,0,0|1,0,0]=3 112 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 BB_SC-00700 [0,1,0,1,0,0|1,0,1]=4 113 B14R2.781 CC(=O)C1COC2=CC=CC=C2O1 BB_SC-00116 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 BB_SC-03415 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.781 NC(=O)C1CCC2=CC=CC=C2N1 BB_SC-07525 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BB_NC-01432 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 BB_NC-00813 [0,1,0,1,0,0|1,0,0]=3 118 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 BB_NC-01431 [0,1,0,1,0,0|1,0,0]=3 119 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 BB_SC-03263 [0,1,0,1,0,0|1,0,0]=3 120 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 BB_NC-01451 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.741 NC1CCC2=CC=CC=C2NC1=O BB_SC-09083 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br BB_SC-03269 [0,1,0,1,0,0|1,0,0]=3 123 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 BB_SC-08050 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.958 NNC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 BB_SC-00095 [0,1,0,1,0,0|1,0,0]=3 125 B14R2.958 NNC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 BB_SC-00090 [0,1,0,1,0,0|1,0,0]=3 126 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [0,0,0,0,2,0|1,0,0]=3 127 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [0,0,0,0,2,0|2,0,0]=4 128 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [0,0,0,0,2,0|1,0,0]=3 129 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [0,0,0,0,2,0|2,0,0]=4 130 B10R1.66 CC(=O)CCC1=CC=CO1 BB_SC-02398 [0,0,0,0,2,0|2,0,0]=4 131 B10R1.66 O=C(O)CCC1=CC=CO1 BB_NC-00342 [0,0,0,0,2,0|1,0,0]=3 132 B10R1.66 O=C(O)CCN1C=CC=C1 BB_SC-12059 [0,0,0,0,2,0|1,0,0]=3 133 B10R1.66 O=C(O)CCN1C=CC=N1 BB_SC-04468 [0,0,0,0,2,0|2,0,0]=4 134 B10R1.66 O=C(O)CCN1C=CN=C1 BB_SC-00704 [0,0,0,0,2,0|2,0,0]=4