0 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.15 NN1CCCC1C2=CC=CC=C2 PH011021 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 PH018837 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.15 O=C1CCCC1C2=CC=CC=N2 PH013013 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.2 C1=CC(=CC=N1)C2CCCN2 CDS006470 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.2 C1=CC(=CN=C1)C2=NCCS2 PH000580 [1,0,0,0,0,0|1,0,2]=4 8 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.2 C1=CC=C(N=C1)C2CCCN2 MNO000103 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.2 C1=CN=C(N=C1)C2CCCN2 PH019520 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.269 CN1CCOC1C2=CC=CC(=C2)Cl T152730 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.296 CN1CCCC1C2=CC=CN=C2N T312037 [0,1,0,0,0,0|0,0,0]=1 18 B14R2.296 CN1CCOC1C2=C(C=CC=C2)Cl T152722 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.317 CC1NCCC1(O)C2=CC=CC=C2 PH012642 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.317 C[C@@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236691 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.317 C[C@H]1CCC[C@@]1(C)C2=CC=CC=C2 T236705 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.926 CC1=CC=C(C=C1)C2OCCN2C T152749 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.926 CN1CCCC1C2=CN=C(C=C2)Cl PH007697 [0,1,0,0,0,0|0,0,0]=1 24 B14R2.926 N[C@@H]1CCC[C@@H]1C2=CC=C(C=C2)F PH018588 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.3 CNC(COC)C1=NC=CC=C1 CBR01327 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.8 CCCCCOC1=CN=CC=C1 S417505 [0,0,1,0,0,0|2,0,0]=3 30 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.8 CNCC/C=C/C1=CN=CC=C1 PH006788 [0,0,1,0,0,0|0,0,2]=3 33 B12R1.8 CNCCCCC1=CN=CC=N1 PH012752 [0,0,1,0,0,0|1,0,0]=2 34 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [0,0,1,0,0,0|2,0,0]=3 37 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,0,1,0,0,0|1,0,2]=4 38 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,0,1,0,0,0|2,0,0]=3 40 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,0,1,0,0,0|3,0,0]=4 50 B14R3.406 O=C1C2CCC1C3=C2C=CC=C3 T206253 [0,0,0,1,0,0|3,0,0]=4 51 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,0,0,1,0,0|2,0,1]=4 52 B14R3.608 O=C1CC2CC1C3=C2C=CC=C3 T201596 [0,0,0,1,0,0|3,0,0]=4 53 B14R2.21 CC1CCCN(N1)C2=CC=CC=C2 CBR02313 [0,0,0,0,0,1|3,0,0]=4 54 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 T313149 [0,0,0,0,0,1|3,0,0]=4 55 B14R2.21 O=C1CCCC(N1)C2=CC=CN=C2 T315982 [0,0,0,0,0,1|2,0,0]=3 56 B14R2.24 CN1CCNCC1C2=CC=CC=C2 CBR00615 [0,0,0,0,0,1|1,0,0]=2 57 B14R2.24 NC1CCCCC1C2=CC=CC=C2 PH012427 [0,0,0,0,0,1|3,0,0]=4 58 B14R2.24 O=S1CCCSC1C2=CC=CC=C2 S863238 [0,0,0,0,0,1|3,0,0]=4 59 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S456764 [0,0,0,0,0,1|3,0,0]=4 60 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S459771 [0,0,0,0,0,1|3,0,0]=4 61 B14R2.30 CN1CCOC1=NC2=CC=CC=C2 PH009380 [0,0,0,0,0,1|2,0,1]=4 62 B14R2.30 CN\1CCS/C1=N/C2=CC=CC=C2 PH009385 [0,0,0,0,0,1|2,0,1]=4 63 B14R2.30 N[C@@H]1CCC[C@@H]1CC2=CC=CC=C2 PH018573 [0,0,0,0,0,1|3,0,0]=4 64 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 S134104 [0,0,0,0,0,1|3,0,0]=4 65 B14R2.30 O=C1CCCN1CC2=CN=CC=C2 PH007447 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [1,0,1,0,0,0|1,0,0]=3 69 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [1,0,1,0,0,0|0,0,0]=2 70 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,0,1,0,0,0|1,0,0]=3 71 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,0,1,0,0,0|1,0,0]=3 72 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [1,0,1,0,0,0|1,0,1]=4 73 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,0,1,0,0,0|1,0,0]=3 76 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [1,0,1,0,0,0|1,0,0]=3 81 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [1,0,1,0,0,0|2,0,0]=4 83 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,0,1,0,0,0|1,0,0]=3 84 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [1,0,1,0,0,0|1,0,1]=4 85 B13R1.405 CCCC(C(=O)C)C1=CC=CC=C1 PH001357 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S316024 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S332879 [0,1,1,0,0,0|2,0,0]=4 88 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494003 [0,1,1,0,0,0|2,0,0]=4 89 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494607 [0,1,1,0,0,0|2,0,0]=4 90 B13R1.6 CNCCCOC1=CC=CC(=C1)Cl CBR00243 [0,1,1,0,0,0|2,0,0]=4 91 B13R1.9 CCCCCCC1=CC=C(C=C1)O CDS000247 [0,1,1,0,0,0|2,0,0]=4 92 B13R1.9 CNCCCOC1=CC=C(C=C1)Cl CBR00262 [0,1,1,0,0,0|2,0,0]=4 93 B13R1.28 CCCCNCCC1=CN=CC=N1 PH012721 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.28 ClCCCCCCC1=CC=CC=C1 PH000050 [0,1,1,0,0,0|2,0,0]=4 95 B13R1.28 O=CNCCCCC1=CC=CC=C1 PH000636 [0,1,1,0,0,0|1,0,1]=4 96 B13R1.42 CNCC(O)COC1=CC=CC=C1 CDS001676 [0,1,1,0,0,0|2,0,0]=4 97 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [0,1,1,0,0,0|2,0,0]=4 98 B13R1.44 CNCCN(C)CC1=CC=CC=C1 PH014509 [0,1,1,0,0,0|2,0,0]=4 99 B13R1.337 CN(C)CC/C=C/C1=CN=CC=C1 PH007455 [0,1,1,0,0,0|0,0,2]=4 100 B13R1.555 CCCCCCC1=C(C=CC=C1)O PH007151 [0,1,1,0,0,0|2,0,0]=4 101 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [0,1,1,0,0,0|2,0,0]=4 102 B13R1.79 CCN(CCCl)CC1=CC=CC=C1 S376841 [0,1,1,0,0,0|2,0,0]=4 103 B13R1.348 CN(CC(=O)O)CC1=CC=CN=C1 CBR00618 [0,1,1,0,0,0|1,0,1]=4 104 B13R1.1327 CCCC(C)(O)CC1=CC=CC=C1 S946702 [0,1,1,0,0,0|2,0,0]=4 105 B13R1.696 CCN(C)C(=O)C1=CC=CN=C1Cl VBP00048 [0,1,1,0,0,0|1,0,1]=4 106 B13R1.706 CC1=CC=C(C=C1)C(CN)N(C)C CBR00265 [0,1,1,0,0,0|2,0,0]=4 107 B13R1.3085 CCC(O)(C1=CC=CC=C1)C(C)C PH001540 [0,1,1,0,0,0|2,0,0]=4 108 B13R2.12 CC1=CC=C(C=C1)C2NCCS2 T149357 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 PH009946 [1,1,0,0,0,0|1,0,0]=3 110 B13R2.12 ClC1=CC=C(C=C1)C2NCCO2 PH009374 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.12 ClC1=CC=C(C=C1)C2NCCS2 S248673 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.12 ClC1=CC=C(C=C1)C2NCCS2 T149349 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.13 BrC1=CC=CC(=C1)C2NCCS2 S252689 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.13 BrC1=CN=CC(=C1)N2CCCC2 CDS005717 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.13 CC1=CC(=CC=C1)C2NCCS2 T149330 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.18 ClC1=CC=CC=C1C2NCCS2 PH010941 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.18 OC1=CC=CC=C1C2CCCO2 PH018351 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.223 CC1(NCCS1)C2=CC=CC=C2 T149411 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.223 NC1(CCCC1)C2=CC=CC=C2 OTV000612 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.223 OC1(CCCC1)C2=CC=CC=C2 S504661 [1,1,0,0,0,0|2,0,0]=4 121 B15R2.27 CC1CN(NC(S1)C2=CC=CC=C2)C PH013310 [0,1,0,0,0,1|2,0,0]=4 122 B15R2.32 CC1C(CCCN1C)C2=CC=CC=C2 PH012549 [0,1,0,0,0,1|1,0,0]=3 123 B15R2.1113 CN1CCOC(C1)(O)C2=CC=CC=C2 PH012603 [0,1,0,0,0,1|2,0,0]=4 124 B15R2.21 CNC1CCCOC1C2=CC=CC=C2 PH008044 [0,1,0,0,0,1|2,0,0]=4 125 B15R2.367 CC1=NCCCC1(O)C2=CC=CC=C2 PH013006 [0,1,0,0,0,1|2,0,0]=4 126 B15R2.367 CC1NCCCC1(O)C2=CC=CC=C2 PH012573 [0,1,0,0,0,1|2,0,0]=4 127 B15R2.541 CC1CCCN(C1C2=CC=CC=C2)C PH012522 [0,1,0,0,0,1|1,0,0]=3 128 B15R2.541 CN1CCCC(=O)C1C2=CC=CC=C2 PH012540 [0,1,0,0,0,1|1,0,0]=3 129 B15R2.1510 CN\1CCC/C1=N\C2=CC=C(C=C2)Cl R101109 [0,1,0,0,0,1|1,0,1]=4 130 B15R2.18921 CN1CCOC1(C)C2=CC=C(C=C2)Br T152757 [0,2,0,0,0,0|2,0,0]=4 131 B13R2.3 C1=CC(=CN=C1)C2CNCCS2 PH014942 [0,0,1,1,0,0|2,0,0]=4 132 B13R2.3 C1=CC=C(C=C1)C2COCCN2 CDS019264 [0,0,1,1,0,0|2,0,0]=4 133 B13R2.3 C1=CC=C(C=C1)C2CSCCN2 CDS010247 [0,0,1,1,0,0|2,0,0]=4 134 B13R2.3 C1=CC=C(N=C1)C2CCCCN2 CBR02282 [0,0,1,1,0,0|2,0,0]=4 135 B13R2.1613 NNC1CCCC2=CC=CC=C12 PH019356 [0,0,1,1,0,0|2,0,0]=4 136 B13R2.64 C1=CN=C(C=N1)CC2CCNC2 PH018392 [0,0,1,1,0,0|1,0,0]=3 137 B13R2.67 C1=CC=C2CCCCCCC2=C1 T170933 [0,0,1,1,0,0|2,0,0]=4 138 B13R2.2383 C1=CC=C(C=C1)COC2CNC2 CBR01702 [0,0,1,1,0,0|2,0,0]=4 139 B13R2.5252 CN1CCCCC2=CC=CC=C12 T167851 [0,0,1,1,0,0|1,0,0]=3 140 B13R3.1962 C1=CC2=C(C=C1)C3CCC2O3 R260401 [1,0,0,1,0,0|2,0,0]=4 141 B15R3.2013 CC1=CC2CCC1C3=CC=CC=C23 T196606 [0,0,0,1,0,1|2,0,0]=4 142 B15R3.4053 C(=C1C2CCC1C3=C2C=CC=C3)C T206245 [0,1,0,1,0,0|2,0,0]=4 143 B15R3.4204 C1=CC=C(C=C1)C2C3CCN2CC3 PH012799 [0,1,0,1,0,0|1,0,0]=3 144 B15R3.9581 C[C@@]1(C[C@@H]2C[C@H]1C3=CC=CC=C23)O T289698 [0,1,0,1,0,0|2,0,0]=4 145 B15R3.1899 ClC1=CC2=C(C=N1)C3CC2CC3Cl T224537 [0,1,0,1,0,0|2,0,0]=4 146 B11R2.2 C1=CNC(=N1)C2CCCN2 PH018994 [1,0,0,0,1,0|1,0,0]=3 147 B11R2.2 C1=CSC(=N1)C2CCCN2 CDS001398 [1,0,0,0,1,0|1,0,0]=3 148 B11R2.2 C1=NN=C(S1)C2CCCN2 PH019580 [1,0,0,0,1,0|2,0,0]=4 149 B11R2.2 C1=NNC(=N1)C2CCCN2 PH019173 [1,0,0,0,1,0|2,0,0]=4 150 B11R2.2 C1=NOC(=C1)C2CCCN2 PH019057 [1,0,0,0,1,0|1,0,0]=3 151 B11R2.239 C1=CC(=NN=C1)C2CNC2 PH019031 [1,0,0,0,1,0|2,0,0]=4 152 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [1,0,0,0,1,0|1,0,0]=3 153 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [1,0,0,0,1,0|1,0,0]=3 154 B11R2.239 C1=NC=C(C=N1)C2CNC2 PH019030 [1,0,0,0,1,0|2,0,0]=4 155 B13R1.11 CCN(C)CC(O)C1=CC=CC=C1 PH014915 [0,0,1,0,0,1|2,0,0]=4 156 B15R2.38 CC1=CCCCC1OC2=CC=CC=C2 T180092 [0,0,0,0,0,2|2,0,0]=4