0 B10R1.39 CCN1N=CC=C1C(C)=O SC-90029 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.14 CCN1C=CN=C1C=O SC-92502 [1,0,0,0,0,0|1,0,0]=2 2 B9R1.41 CC(=O)C1=NC=CN1C SC-51491 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.41 CC1=C(C(=O)O)C=CS1 SC-65867 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.41 CC1=C(C(=O)O)NC=C1 SC-55368 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.41 CC1=C(C(=O)O)OC=C1 SC-21785 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.41 CC1=CNC=C1C(=O)O SC-66126 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.41 CN1C=CC=C1C(=O)O SC-46120 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.41 CN1C=CN=C1C(=O)O SC-02310 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.41 CN1N=CC=C1C(=O)O SC-25328 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.49 CCN1N=C(C)C=C1C(=O)O SC-96251 [0,1,0,0,0,0|2,0,0]=3 11 B11R2.106 O=C1C=CNN2C=CC=C12 SC-B7160 [0,0,0,1,0,0|1,0,2]=4 12 B11R2.106 O=C1CCCC2=C1C=CN2 SC-48328 [0,0,0,1,0,0|2,0,0]=3 13 B11R2.106 O=C1CCCC2=C1C=CO2 SC-66794 [0,0,0,1,0,0|2,0,0]=3 14 B11R2.106 O=C1CCCC2=C1C=CS2 SC-25058 [0,0,0,1,0,0|2,0,0]=3 15 B11R2.106 O=C1NC=CN2C=CC=C12 SC-25259 [0,0,0,1,0,0|1,0,2]=4 16 B11R2.106 O=C1NC=NN2C=CC=C12 SC-45139 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.53 COC1=C(C(C)=O)C=CC=C1 SC-46908 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.53 COC1=CC=CC=C1C(N)=O SC-92716 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.53 COC1=CC=CN=C1C(N)=O SC-60557 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.53 COC1=CN=CC=C1C(=O)O SC-54543 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.53 COC1=NC=CC=C1C(=O)O SC-15475 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 SC-12355 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.53 O=C(O)C1=CC=CC=C1CBr SC-13945 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.53 O=C(O)C1=CC=CC=C1CO SC-51981 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 SC-14980 [0,0,0,0,0,1|2,0,1]=4 26 B11R1.266 CNC1=CC(C(C)=O)=CC=C1 SC-98462 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.266 COC1=CC(C(=O)Cl)=CC=C1 SC-52583 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.266 COC1=CC=CC(C(=O)O)=C1 SC-05543 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.266 COC1=CC=CC(C(C)=O)=N1 SC-68722 [0,0,0,0,0,1|2,0,0]=3 30 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 SC-44372 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 SC-28534 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.266 NCC1=CC(C(N)=O)=CC=C1 SC-50479 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.266 NCC1=CC(C(N)=O)=CC=C1 SC-A3211 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 SC-52791 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.266 O=C(Cl)C1=CC=CC(CCl)=C1 SC-20858 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 SC-06069 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 SC-43806 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 SC-03385 [0,0,0,0,0,1|3,0,0]=4 39 B8R1.11 CN1C=CC=C1CN SC-50763 [2,0,0,0,0,0|1,0,1]=4 40 B8R1.11 CN1C=CN=C1C=O SC-00957 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.11 CN1C=NC=C1C=O SC-04090 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.11 CN1N=CC=C1C=O SC-45462 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.11 CN1N=NC=C1C=O SC-A4025 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.11 CSC1=NC=CN1C SC-A3750 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.7 CC(=O)C1=CC=CO1 SC-00529 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.7 CC(=O)C1=CN=CN1 SC-21155 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.7 CC(=O)C1=CN=CS1 SC-20615 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.7 CC(=O)C1=CNC=C1 SC-68845 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.7 CC(=O)C1=CSC=N1 SC-66041 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.7 CC(=O)C1=NC=CS1 SC-02806 [2,0,0,0,0,0|1,0,1]=4 51 B8R1.7 O=C(Cl)C1=CC=CS1 SC-77247 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.7 O=C(O)C1=CC=CN1 SC-54396 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.7 O=C(O)C1=CC=CS1 SC-05067 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.7 O=C(O)C1=CC=NN1 SC-69621 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.7 O=C(O)C1=NC=CN1 SC-13168 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.7 O=[N+]([O-])C1=CC=CN1 SC-50753 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 SC-05457 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.149 COC(=O)C1=C(C)C=CN1 SC-14302 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.149 COC(=O)C1=C(C)SC=C1 SC-68637 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.149 COC(=O)C1=CC=NN1C SC-B8763 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.192 CN1N=CC(Br)=C1C(=O)O SC-87913 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.192 CN1N=CC(N)=C1C(N)=O SC-48270 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 SC-21313 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 SC-78400 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.57 CCC1=C(C(=O)[O-])C=CC(O)=C1 SC-22850 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.57 CCC1=CC(O)=CC=C1C(C)=O SC-99734 [0,1,0,0,0,1|1,0,0]=3 67 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 SC-30456 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.77 COC(=O)C1=C(CBr)C=CC=N1 SC-34393 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.77 COC(=O)C1=C(CCl)N=CC=C1 SC-90931 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 SC-14847 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.77 COC(=O)C1=C(OC)C=CN=C1 SC-66215 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.77 COC(=O)C1=CC=CC=C1CO SC-53546 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O SC-28788 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.437 CCC1=C(C(=O)O)C(N)=CC=C1 SC-82260 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.437 COC1=C(C(C)=O)C(Cl)=CC=C1 SC-96540 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.437 COC1=CC=CC(O)=C1C(C)=O SC-47454 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.56 CC(=O)C1=CC=C(O)C(CO)=C1 SC-19911 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 SC-06033 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 SC-04834 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.258 CC(=O)C1=CC=CC(C(C)=O)=C1 SC-27733 [0,1,0,0,0,1|1,0,1]=4 81 B12R1.258 CC(=O)C1=CC=CC(C(C)=O)=N1 SC-00414 [0,1,0,0,0,1|1,0,1]=4 82 B12R1.258 CC(C)C1=CC(C(=O)O)=CC=C1 SC-25164 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.279 CCOC1=CC=CC(C(=O)O)=N1 SC-89681 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.279 COCC1=CC(C(=O)O)=CC=C1 SC-48724 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.279 NCCC1=CC(C(=O)O)=CC=C1 SC-12354 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.279 NCCC1=CC(C(N)=O)=CC=C1 SC-92036 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.279 O=C(O)C1=CC=CC(CCO)=C1 SC-88666 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.435 COC(=O)C1=CC(CO)=CC=C1 SC-98118 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 SC-28348 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.435 COC(=O)C1=CC=CC(CCl)=C1 SC-82756 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 SC-50482 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.435 COC(=O)C1=NC(CBr)=CC=C1 SC-34182 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.435 COC(=O)C1=NC(CCl)=CC=C1 SC-33897 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.435 COC(=O)C1=NC(CO)=CC=C1 SC-14680 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 SC-26939 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.435 COC1=CC=CC(C(=O)CN)=C1 SC-31717 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.453 COC1=CC(C(C)=O)=C(Br)C=C1 SC-30219 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 SC-21845 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.10 CCNC1=CC=CC(F)=C1 SC-61702 [0,0,1,1,0,0|1,0,1]=4 100 B10R1.61 CC(=O)C1=C(C)C=CC=C1 SC-05472 [0,0,1,1,0,0|1,0,1]=4 101 B10R1.4 CCNC1=CC=CC=C1F SC-54184 [0,0,1,1,0,0|1,0,1]=4 102 B10R1.4 CCNC1=CN=CN=C1C SC-92935 [0,0,1,1,0,0|2,0,0]=4 103 B10R2.32 O=C1CCN2C=NC=C12 SC-17383 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.1081 C=C1CCCC2=CC=CC=C12 SC-45518 [0,0,0,1,0,1|2,0,0]=4 105 B12R2.1081 CC1=CCCC2=C1C=CC=C2 SC-88953 [0,0,0,1,0,1|2,0,0]=4 106 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SC-25802 [0,0,0,1,0,1|1,0,0]=3 107 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SC-33091 [0,0,0,1,0,1|1,0,0]=3 108 B12R2.1081 O=C1CCCC2=C1C=CN=C2 SC-14614 [0,0,0,1,0,1|1,0,0]=3 109 B12R2.1081 O=C1CCCC2=C1C=CN=C2 SC-70199 [0,0,0,1,0,1|1,0,0]=3 110 B12R2.1081 O=C1CCCC2=C1C=NC=C2 SC-40262 [0,0,0,1,0,1|1,0,0]=3 111 B12R2.1081 O=C1CCCC2=C1C=NC=C2 SC-47535 [0,0,0,1,0,1|1,0,0]=3 112 B12R2.1081 O=C1CCCC2=C1N=CC=C2 SC-11409 [0,0,0,1,0,1|1,0,0]=3 113 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SC-21443 [0,0,0,1,0,1|2,0,0]=4 114 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SC-A3233 [0,0,0,1,0,1|2,0,0]=4 115 B12R2.1081 O=C1CCOC2=C1N=CC=C2 SC-84669 [0,0,0,1,0,1|2,0,0]=4 116 B12R2.1081 O=C1CCOC2=CC=CC=C12 SC-04797 [0,0,0,1,0,1|2,0,0]=4 117 B12R2.1081 O=C1COCC2=C1C=CC=C2 SC-27836 [0,0,0,1,0,1|2,0,0]=4 118 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SC-25175 [0,0,0,1,0,1|2,0,0]=4 119 B12R2.1081 O=C1NCCC2=C1N=CC=C2 SC-49713 [0,0,0,1,0,1|2,0,0]=4 120 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 SC-30899 [0,0,0,1,0,1|2,0,0]=4 121 B12R2.1356 O=C(O)C1=CC=NN1C2CC2 SC-13095 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.20 CNC1=C(C=O)C=CC=N1 SC-89523 [1,0,0,0,0,1|2,0,0]=4 123 B10R1.20 COC1=C(C=O)C=NC=C1 SC-90539 [1,0,0,0,0,1|2,0,0]=4 124 B10R1.20 COC1=CC=CC=C1C=O SC-00881 [1,0,0,0,0,1|2,0,0]=4 125 B10R1.20 COC1=CC=CN=C1C=O SC-12894 [1,0,0,0,0,1|2,0,0]=4 126 B10R1.20 COC1=CN=CC=C1C=O SC-A3111 [1,0,0,0,0,1|2,0,0]=4 127 B10R1.20 COC1=NC=CC=C1C=O SC-50542 [1,0,0,0,0,1|2,0,0]=4 128 B10R1.172 CCC1=CC(C=O)=CC=C1 SC-03611 [1,0,0,0,0,1|1,0,0]=3 129 B10R1.172 COC1=CC(C=O)=CC=C1 SC-25539 [1,0,0,0,0,1|2,0,0]=4 130 B10R1.172 COC1=CC=CC(C=O)=N1 SC-26062 [1,0,0,0,0,1|2,0,0]=4 131 B10R1.172 O=CC1=CC=CC(CO)=C1 SC-A3536 [1,0,0,0,0,1|2,0,0]=4 132 B12R1.75 COC1=CC=CC=C1NC(C)=O SC-47661 [0,0,0,0,0,2|2,0,0]=4 133 B12R1.438 COC1=CC(NC(C)=O)=CC=C1 SC-A3130 [0,0,0,0,0,2|2,0,0]=4