0 B12R1.34 CC(C1=CC=CC=C1)C(N)CO HTS033199 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 3740AF [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 C#CCC(N)C1=CC=CC=C1 2882AA [1,0,0,0,0,0|2,0,1]=4 3 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [1,0,0,0,0,0|3,0,0]=4 4 B11R1.16 CCCC(N)C1=CN=CC=C1 4944AJ [1,0,0,0,0,0|3,0,0]=4 5 B11R1.16 CCCC(N)C1=NC=CC=C1 5079AC [1,0,0,0,0,0|3,0,0]=4 6 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [1,0,0,0,0,0|3,0,0]=4 7 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [1,0,0,0,0,0|1,0,0]=2 8 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [1,0,0,0,0,0|1,0,0]=2 9 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [1,0,0,0,0,0|1,0,2]=4 10 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 V8983 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.16 COC[C@H](N)C1=CC=CC=C1 V7107 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.16 NCC[C@@H](O)C1=CC=CC=C1 8991AH [1,0,0,0,0,0|2,0,0]=3 14 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 9158AH [1,0,0,0,0,0|2,0,0]=3 15 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [1,0,0,0,0,0|2,0,1]=4 16 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [1,0,0,0,0,0|1,0,1]=3 18 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [1,0,0,0,0,0|1,0,0]=2 19 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [1,0,0,0,0,0|2,0,0]=3 20 B11R1.36 CC(C)C(N)C1=CC=NC=C1 1775AJ [1,0,0,0,0,0|2,0,0]=3 21 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [1,0,0,0,0,0|1,0,0]=2 22 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [1,0,0,0,0,0|0,0,0]=1 23 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [1,0,0,0,0,0|2,0,1]=4 24 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [1,0,0,0,0,0|2,0,0]=3 26 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.40 N#CC(Br)CC1=CC=CC=C1 V6952 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.40 N#CC(N)CC1=CC=CC=C1 V6584 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.40 N#CC(N)CC1=CC=CC=C1 V9283 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 1732AE [0,1,0,0,0,0|2,0,1]=4 31 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 4910AD [0,1,0,0,0,0|3,0,0]=4 32 B13R2.15 OC1CCCC1C2=CC=CC=C2 2167AL [0,0,0,1,0,0|3,0,0]=4 33 B13R2.32 NC1C2=C(C=CC=C2)CCC1O 0730AA [0,0,0,1,0,0|3,0,0]=4 34 B13R2.32 NC1CCC2=CC=CC=C2C1O 0733AA [0,0,0,1,0,0|2,0,0]=3 35 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 2851AD [0,0,0,0,0,1|2,0,1]=4 36 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [2,0,0,0,0,0|0,0,2]=4 37 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [2,0,0,0,0,0|0,0,2]=4 38 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [2,0,0,0,0,0|1,0,1]=4 39 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [2,0,0,0,0,0|1,0,0]=3 40 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [2,0,0,0,0,0|1,0,0]=3 41 B10R1.15 CCC(N)C1=CC=CN=C1 4943AJ [2,0,0,0,0,0|2,0,0]=4 42 B10R1.15 CCC(N)C1=CC=CN=C1 4945AJ [2,0,0,0,0,0|2,0,0]=4 43 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [2,0,0,0,0,0|2,0,0]=4 44 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [2,0,0,0,0,0|0,0,0]=2 45 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [2,0,0,0,0,0|0,0,0]=2 46 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [2,0,0,0,0,0|2,0,0]=4 49 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [2,0,0,0,0,0|2,0,0]=4 50 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [2,0,0,0,0,0|1,0,0]=3 51 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [2,0,0,0,0,0|1,0,0]=3 52 B10R1.15 NCC(O)C1=CC=CC=N1 1453AJ [2,0,0,0,0,0|1,0,0]=3 53 B10R1.15 NCC(O)C1=CC=CN=C1 5133AH [2,0,0,0,0,0|1,0,0]=3 54 B10R1.15 NCC(O)C1=CC=NC=C1 1457AJ [2,0,0,0,0,0|1,0,0]=3 55 B10R1.15 NCC(O)C1=NC=CC=C1 9384AJ [2,0,0,0,0,0|1,0,0]=3 56 B10R1.15 NC[C@H](O)C1=CC=CN=C1 Z3832 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.17 CCCCC1=NC=CC=C1 S413 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.17 CNCCC1=CC=NC=C1 5552AE [2,0,0,0,0,0|1,0,0]=3 61 B10R1.17 CNCCC1=CC=NC=C1 5553AE [2,0,0,0,0,0|1,0,0]=3 62 B10R1.17 CNCCC1=CC=NC=C1 X8552 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [2,0,0,0,0,0|0,0,2]=4 64 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [2,0,0,0,0,0|0,0,2]=4 65 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [2,0,0,0,0,0|1,0,0]=3 66 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [2,0,0,0,0,0|1,0,0]=3 68 B10R1.18 CC(N)CC1=CC=NC=C1 4587AH [2,0,0,0,0,0|1,0,0]=3 69 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [2,0,0,0,0,0|2,0,0]=4 70 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [2,0,0,0,0,0|1,0,0]=3 71 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [2,0,0,0,0,0|1,0,1]=4 72 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 1422AA [1,1,0,0,0,0|2,0,0]=4 73 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 7812AL [1,1,0,0,0,0|0,0,0]=2 74 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 0890AC [1,1,0,0,0,0|1,0,0]=3 77 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 Y1670 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.20 CC(C)[C@@H](N)C1=CC=C(F)C=C1 3800AA [1,1,0,0,0,0|1,0,0]=3 79 B12R1.20 CC(C1=CC=C(Br)C=C1)N(C)C 4167AD [1,1,0,0,0,0|2,0,0]=4 80 B12R1.20 CC(N)C(O)C1=CC=C(O)C=C1 V1268 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.124 OC(C1=CC=CC=C1Cl)C(Cl)Cl 2651AB [1,1,0,0,0,0|2,0,0]=4 82 B12R1.225 CC(C)S(=O)C1=CC(Br)=CC=C1 Z9771 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.225 CC1=CC=CC(C(=O)C(C)C)=C1 Y1671 [1,1,0,0,0,0|0,0,2]=4 84 B12R1.478 CC(=O)C(CO)C1=CC=CC=C1 9433AB [1,1,0,0,0,0|1,0,1]=4 85 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 8116AB [1,1,0,0,0,0|1,0,0]=3 86 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 1812AB [1,1,0,0,0,0|0,0,1]=3 87 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 V7029 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.32 CN(CCN)CC1=CC=CC=C1 6899AA [1,1,0,0,0,0|2,0,0]=4 89 B12R1.43 CN(C)C(=S)CC1=CC=CC=C1 5910AD [1,1,0,0,0,0|1,0,1]=4 90 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 0275AE [1,1,0,0,0,0|1,0,1]=4 91 B12R1.50 CCC(C)OC1=CC(N)=CC=C1 7479AE [1,1,0,0,0,0|2,0,0]=4 92 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [1,1,0,0,0,0|1,0,0]=3 93 B12R1.118 OCC(CO)CC1=CC=CC=C1 3161AH [1,1,0,0,0,0|2,0,0]=4 94 B12R2.2 C1=CC(C2CCNC2)=CC=N1 3704AC [1,0,0,1,0,0|2,0,0]=4 95 B12R2.2 C1=CC(C2CCNC2)=CC=N1 X4189 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.2 C1=CC(C2CCNC2)=CN=C1 5164AH [1,0,0,1,0,0|2,0,0]=4 97 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [1,0,0,1,0,0|2,0,0]=4 98 B12R2.2 C1=CC=C(C2CCNC2)C=C1 0848AF [1,0,0,1,0,0|1,0,0]=3 99 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [1,0,0,1,0,0|2,0,0]=4 100 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 W8786 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.2 C1=CN=CC(C2CCNC2)=C1 X9976 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [1,0,0,1,0,0|2,0,0]=4 103 B12R2.116 OC1(C2=CC=CC=C2)COC1 8374AE [1,0,0,1,0,0|1,0,0]=3 104 B12R2.1081 CC1CNCC2=C1C=CC=C2 1997AA [1,0,0,1,0,0|1,0,0]=3 105 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z3889 [1,0,0,1,0,0|1,0,0]=3 106 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [1,0,0,1,0,0|2,0,0]=4 107 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 B572 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.1081 OC1CNCC2=CC=CC=C21 9571AH [1,0,0,1,0,0|0,0,0]=2 110 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [1,0,0,1,0,0|1,0,0]=3 111 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [1,0,0,1,0,0|1,0,0]=3 112 B12R2.2028 CC1CC(N)C2=C1C=CC=C2 2333AJ [1,0,0,1,0,0|2,0,0]=4 113 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 X6396 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W9898 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 W8707 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.2075 OC(C1=CC=CC=C1)C2CC2 7063AL [1,0,0,1,0,0|1,0,0]=3 117 B12R2.2075 OC(C1=CN=CC=C1)C2CC2 6518AJ [1,0,0,1,0,0|2,0,0]=4 118 B12R2.18 CC1NC2=C(C=CC=C2)C1C 1212AB [1,0,0,1,0,0|1,0,0]=3 119 B12R2.18 NC1CC2=C(C=CC=C2)C1=O W7922 [1,0,0,1,0,0|0,0,2]=4 120 B12R2.18 NC1CC2=CC=CC=C2C1O 7525AA [1,0,0,1,0,0|0,0,0]=2 121 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 6832AA [1,0,0,1,0,0|2,0,0]=4 122 B12R2.24 CN1CCC2=C(C=CC=C2)C1 8158AA [1,0,0,1,0,0|2,0,0]=4 123 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [1,0,0,1,0,0|2,0,0]=4 124 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 1181AL [1,0,0,1,0,0|2,0,0]=4 125 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 1283AL [1,0,0,1,0,0|2,0,0]=4 126 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [1,0,0,1,0,0|1,0,1]=4 127 B12R2.32 BrCC1CC2=CC=CC=C2C1 4237AB [1,0,0,1,0,0|2,0,0]=4 128 B12R2.32 CNC1CC2=CC=CC=C2C1 0955AA [1,0,0,1,0,0|0,0,0]=2 129 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1348AJ [1,0,0,1,0,0|2,0,0]=4 130 B12R2.32 NNC1CC2=C(C=CC=C2)C1 0304AD [1,0,0,1,0,0|1,0,0]=3 131 B12R2.32 O=CC1CC2=CC=CC=C2C1 1349AJ [1,0,0,1,0,0|2,0,0]=4 132 B12R2.32 OCC1CC2=CC=CC=C2C1 7876AB [1,0,0,1,0,0|2,0,0]=4 133 B12R2.94 NC1(CC2=CC=CC=C2)CC1 8899AD [1,0,0,1,0,0|2,0,0]=4 134 B14R2.21 CC1CN(C2=CC=CC=C2)CCN1 0379AD [0,0,0,1,0,1|2,0,0]=4 135 B14R2.21 CC1CN(C2=CC=CC=C2)CCN1 1260AC [0,0,0,1,0,1|2,0,0]=4 136 B14R2.21 N[C@@H]1CCO[C@@H](C2=CC=CC=C2)C1 5226AC [0,0,0,1,0,1|2,0,0]=4 137 B14R2.114 NC(C1=CC=CC=C1)C2CCCC2 3973AJ [0,1,0,1,0,0|2,0,0]=4 138 B14R2.15692 NC(C1=CC=CC=C1)C2(O)CCC2 Y3144 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.23 CC(C)C(N)C1=CC=CS1 5649AE [1,0,0,0,1,0|2,0,0]=4 140 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [1,0,0,0,0,1|2,0,0]=4