0 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB_SC-06940 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02378 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O BB_NC-03303 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB_NC-02262 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB_SC-09060 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB_SC-00267 [1,0,0,0,0,0|1,1,1]=4 7 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BB_SC-02103 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BB_SC-06780 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB_SC-06586 [1,0,0,0,0,0|0,0,2]=3 14 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [1,0,0,0,0,0|0,0,1]=2 15 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB_NC-02642 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.91 O=C(O)COC1=CC=CC=C1 BB_SC-06261 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.91 O=C(O)COC1=CC=CN=C1 BB_SC-06065 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB_SC-12379 [1,0,0,0,0,0|0,0,1]=2 19 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 BB_SC-03070 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O BB_NC-01998 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O BB_NC-01194 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02401 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-01235 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.148 CN(C)C(=O)CC1=CC=CC(N)=C1 BB_SC-07738 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 BB_NC-01373 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.202 CN(C)C(=O)CC1=CC=CC=C1N BB_SC-08129 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O BB_NC-02866 [0,1,0,0,0,0|0,0,2]=3 28 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O BB_SC-01163 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 BB_SC-02661 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 BB_SC-02410 [0,0,0,1,0,0|1,0,1]=3 31 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 BB_SC-05535 [0,0,0,1,0,0|1,0,2]=4 32 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 BB_NC-02586 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 BB_SC-02119 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.435 NC(=O)[C@@H]1CC2=CC=CC=C2N1 BB_SC-06060 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 BB_NC-02789 [0,0,0,1,0,0|1,0,1]=3 36 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 BB_NC-01604 [0,0,0,1,0,0|0,0,2]=3 37 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 BB_SC-03367 [0,0,0,1,0,0|1,0,2]=4 38 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 BB_SC-04653 [0,0,0,1,0,0|1,0,1]=3 39 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 BB_NC-00460 [0,0,0,0,1,0|2,0,1]=4 40 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 BB_NC-00505 [0,0,0,0,1,0|1,0,1]=3 41 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BB_NC-02227 [0,0,0,0,1,0|0,0,2]=3 42 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 BB_NC-02315 [0,0,0,0,1,0|0,0,2]=3 43 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB_SC-05457 [0,0,0,0,0,1|2,0,0]=3 44 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 BB_SC-08421 [0,0,0,0,0,1|2,0,0]=3 45 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [2,0,0,0,0,0|0,0,2]=4 46 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [2,0,0,0,0,0|0,0,1]=3 47 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BB_NC-02307 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BB_SC-08128 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.49 N\C(CC1=CC=C(Cl)C=C1)=N/O BB_SC-09061 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BB_SC-07737 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.118 CC\C(C=O)=C\C1=CC=CC=C1 BB_NC-00174 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 BB_SC-00478 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB_NC-02824 [1,1,0,0,0,0|0,0,1]=3 58 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB_SC-01486 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BB_NC-00339 [1,1,0,0,0,0|0,0,1]=3 60 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB_NC-02990 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BB_NC-02249 [1,1,0,0,0,0|0,0,1]=3 62 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB_SC-11680 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB_NC-02136 [1,1,0,0,0,0|0,0,1]=3 64 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BB_SC-09488 [1,1,0,0,0,0|0,0,1]=3 65 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BB_SC-07353 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 BB_SC-08039 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BB_NC-02272 [1,1,0,0,0,0|0,0,1]=3 68 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BB_SC-03069 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BB_SC-11395 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 BB_SC-07541 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 BB_NC-02248 [1,1,0,0,0,0|0,0,1]=3 72 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 BB_NC-02014 [0,1,0,0,1,0|1,0,1]=4 73 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BB_NC-02198 [0,1,0,0,1,0|1,0,1]=4 74 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 BB_NC-02022 [0,1,0,0,1,0|0,0,2]=4 75 B14R1.3 [C@H](N)(CC1=CC=C(OC)C=C1)C(=O)O BB_NC-02034 [0,2,0,0,0,0|1,0,1]=4 76 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O BB_NC-01739 [0,2,0,0,0,0|1,0,1]=4 77 B14R1.686 [C@H](N)(CC1=CC(N)=C(O)C=C1)C(=O)O BB_NC-02024 [0,2,0,0,0,0|1,0,1]=4 78 B14R1.4513 O=C(O)C(CC1=CC=CC=C1)C(=O)O BB_SC-06679 [0,2,0,0,0,0|0,0,1]=3 79 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BB_NC-02184 [1,0,0,1,0,0|1,0,0]=3 80 B12R2.24 O=C1C=CC2=CC=CC=C2O1 BB_NC-00720 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BB_SC-10048 [1,0,0,1,0,0|2,0,0]=4 82 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 BB_SC-00700 [0,0,0,1,0,1|2,0,0]=4 83 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BB_NC-01432 [0,0,0,1,0,1|1,0,0]=3 84 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=N1 BB_SC-04085 [0,0,0,1,0,1|1,0,1]=4 85 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 BB_NC-00813 [0,0,0,1,0,1|1,0,1]=4 86 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 BB_NC-01431 [0,0,0,1,0,1|1,0,1]=4 87 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 BB_SC-03263 [0,0,0,1,0,1|0,0,2]=4 88 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 BB_NC-01451 [0,0,0,1,0,1|1,0,1]=4 89 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 BB_NC-00371 [0,1,0,1,0,0|1,0,1]=4 90 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 BB_NC-02816 [0,1,0,1,0,0|1,0,1]=4 91 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 BB_SC-00182 [0,1,0,1,0,0|1,0,1]=4 92 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 BB_SC-10445 [0,1,0,1,0,0|1,0,1]=4 93 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 BB_SC-03570 [0,1,0,1,0,0|0,0,2]=4 94 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 BB_SC-03568 [0,1,0,1,0,0|0,0,2]=4 95 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 BB_SC-10152 [0,1,0,1,0,0|0,1,1]=4 96 B14R2.4529 O=C(O)C1=NC2=CC(Br)=CC=C2N1 BB_SC-10332 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2N1 BB_SC-10238 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.8239 NC1=CC=C2NC(=O)C(=O)NC2=C1 BB_SC-11429 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 BB_SC-00205 [0,1,0,1,0,0|1,0,1]=4 100 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O BB_SC-10927 [0,1,0,1,0,0|1,0,1]=4 101 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BB_NC-02518 [0,1,0,1,0,0|1,0,1]=4 102 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 BB_SC-10151 [0,1,0,1,0,0|0,1,1]=4 103 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 BB_SC-10505 [0,1,0,1,0,0|0,1,1]=4 104 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 BB_SC-07973 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BB_SC-01293 [0,1,0,1,0,0|0,0,2]=4 106 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 BB_SC-11889 [0,1,0,1,0,0|1,0,1]=4 107 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2S1 BB_SC-00606 [0,1,0,1,0,0|0,1,1]=4 108 B14R2.450 O=C(O)C1=NC2=CC=CC=C2N1O BB_SC-11557 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [1,0,0,0,1,0|1,0,1]=4 110 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [1,0,0,0,1,0|1,0,1]=4 112 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB_SC-12259 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.66 O=C(O)CCC1=CC=CO1 BB_NC-00342 [1,0,0,0,1,0|1,0,1]=4 114 B10R1.66 O=C(O)CCN1C=CC=C1 BB_SC-12059 [1,0,0,0,1,0|1,0,1]=4 115 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BB_NC-00354 [1,0,0,0,1,0|1,0,1]=4 116 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BB_SC-06655 [1,0,0,0,0,1|0,0,1]=3 117 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BB_SC-00301 [1,0,0,0,0,1|0,0,2]=4 118 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 BB_SC-08422 [0,0,0,0,0,2|2,0,0]=4 119 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 BB_SC-09524 [0,0,0,0,0,2|2,0,0]=4 120 B14R1.423 O=C(O)\C=C\C(=O)NC1=CC=CC=C1 BB_SC-03974 [0,0,0,0,0,2|1,0,0]=3 121 B14R1.818 CC(=CC(=O)O)\C=C\C1=CC=CC=C1 BB_NC-00398 [0,0,0,0,0,2|1,0,1]=4 122 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 BB_SC-06955 [0,0,0,0,0,2|1,0,0]=3 123 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O BB_NC-00534 [0,0,0,0,0,2|1,0,1]=4