0 B13R1.718 COC(=O)CCNC1=CC=NC=C1 W15229 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.718 COC(=O)NCCC1=CC=CC=C1 F15323 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.8 CCCNCCC1=NC=CC=C1 76839 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.13 COC(=O)\C=C\CC1=CC=C(Br)C=C1 66201 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.13 COC(=O)\C=C\CC1=CC=C(Cl)C=C1 66200 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.520 CCOC(=O)CCCC1=NC=CN=C1 98000 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 71162 [0,1,0,0,0,0|2,0,1]=4 10 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 71468 [0,1,0,0,0,0|1,0,1]=3 11 B14R1.520 CCO[C@H](C)OCCC1=CC=CC=C1 41918 [0,1,0,0,0,0|1,0,1]=3 12 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 91196 [0,1,0,0,0,0|2,0,1]=4 13 B14R1.743 COC(=O)C[C@H](N)CC1=CC=CC=C1 F20090 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.837 COC(=O)CCNC1=C(N)C=CC=C1 96036 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.6449 C[C@H](N)C(=O)OCCC1=CC=CC=C1 F52314 [0,1,0,0,0,0|0,0,0]=1 16 B14R1.6449 C[C@H](N)C(=O)OCCC1=CC=CC=C1 F52320 [0,1,0,0,0,0|0,0,0]=1 17 B14R2.19 O=C1C=C(CC2=CC=CC=C2)CC1 87682 [0,0,0,1,0,0|1,0,1]=3 18 B14R2.19 O=C1CC[C@H](CC2=CC=CC=C2)C1 33453 [0,0,0,1,0,0|1,0,0]=2 19 B14R2.19 O=C1CC\[N+](=C/C2=CC=CC=C2)[N-]1 I11827 [0,0,0,1,0,0|2,0,1]=4 20 B14R2.68 CC1CN[C@H](C2=CC=CC=C2)CO1 F52471 [0,0,0,1,0,0|2,0,1]=4 21 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 83572 [0,0,0,1,0,0|2,0,1]=4 22 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 F17071 [0,0,0,1,0,0|2,0,1]=4 23 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 T70008 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.68 O=C1CCC(C2=CC=NC=C2)CC1 C91035 [0,0,0,1,0,0|2,0,0]=3 25 B14R2.68 O=C1CCC(C2=CN=CC=C2)CC1 C91031 [0,0,0,1,0,0|2,0,0]=3 26 B14R2.68 O=C1CCC(C2=NC=CC=C2)CC1 C91030 [0,0,0,1,0,0|2,0,0]=3 27 B14R2.68 O=C1CCC(C2=NC=CN=C2)CC1 C91036 [0,0,0,1,0,0|3,0,0]=4 28 B14R2.68 O=C1CCC(C2=NC=NC=C2)CC1 F51056 [0,0,0,1,0,0|3,0,0]=4 29 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 F13287 [0,0,0,1,0,0|2,0,0]=3 30 B14R2.68 O=C1CCN(C2=NC=CC=C2)CC1 D85591 [0,0,0,1,0,0|3,0,0]=4 31 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77665 [0,0,0,1,0,0|1,0,0]=2 32 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P18324 [0,0,0,1,0,0|1,0,0]=2 33 B14R2.68 O=C1CN[C@H](C2=CC=NC=C2)CN1 87084 [0,0,0,1,0,0|3,0,0]=4 34 B14R2.68 O=C1CN[C@H](C2=NC=CC=C2)CN1 87083 [0,0,0,1,0,0|3,0,0]=4 35 B14R2.95 CCC(=O)C1=CNC2=C1C=CC=C2 F53571 [0,0,0,1,0,0|2,0,1]=4 36 B14R2.95 COC(=O)[C@@H]1COC2=C1C=CC=C2 AT19700 [0,0,0,1,0,0|3,0,0]=4 37 B14R2.958 COC(=O)C1CC1C2=CC=CC=C2 AT11593 [0,0,0,1,0,0|2,0,0]=3 38 B14R2.958 COC(=O)C1NC1C2=CC=CC=C2 AC4801 [0,0,0,1,0,0|3,0,0]=4 39 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 AC6025 [0,0,0,1,0,0|3,0,0]=4 40 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AC8629 [0,0,0,1,0,0|2,0,0]=3 41 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [0,0,0,0,1,0|0,0,2]=3 42 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [0,0,0,0,1,0|3,0,0]=4 43 B12R1.27 COC(=O)CCC1=NC=NC=C1 F14178 [0,0,0,0,1,0|3,0,0]=4 44 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 AT22580 [0,0,0,0,1,0|2,0,1]=4 45 B14R1.716 CCC(=O)OCCOC1=CC=CC=C1 F16706 [0,0,0,0,0,1|0,0,0]=1 46 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 O11889 [0,0,0,0,0,1|2,0,0]=3 47 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [2,0,0,0,0,0|1,0,0]=3 48 B13R1.24 CCCCC[C@H](N)C1=CC=CC=C1 N12530 [1,1,0,0,0,0|1,0,1]=4 49 B13R1.28 CCCCOCCC1=CC=CC=C1 S10144 [1,1,0,0,0,0|0,0,1]=3 50 B13R1.42 CCC[C@H](O)CCC1=CC=CC=C1 F19746 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.45 CC(=O)OCC(=O)C1=CN=CC=C1 74769 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.45 CC(=O)OCC(=O)C1=NC=CC=C1 E70259 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10006 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.149 NC(=O)NCCC1=CC(O)=CC=C1 E72610 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.149 NC1=CC=CC(CCCC(=O)O)=C1 C16710 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.158 NC1=C(CCCC(=O)O)C=CC=C1 F17094 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 AT12827 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.513 CC(=O)CCSC1=CC=C(O)C=C1 FD10618 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.513 CC(=O)NCCC1=CC=C(Br)C=C1 F16684 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.513 O=C(Cl)CCCC1=CC=C(F)C=C1 AC3833 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.3523 CS(=O)(=O)OCCC1=CN=CC=C1 F18574 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.3523 CS(=O)(=O)OCCC1=NC=CC=C1 F18441 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 28085 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75007 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 N12271 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 Y11148 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.14 NCC(=O)NCC1=CC=C(F)C=C1 F21194 [0,1,0,0,1,0|2,0,0]=4 69 B13R1.15 COC(=O)CCC1=CC=CC(Br)=N1 C92216 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl A10304 [0,1,0,0,1,0|2,0,0]=4 71 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN F21047 [0,1,0,0,1,0|2,0,0]=4 72 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12610 [0,1,0,0,1,0|1,0,0]=3 73 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 P69950 [0,1,0,0,1,0|2,0,0]=4 74 B13R1.417 CCN(CC)CCC1=CC=CC=C1 F12469 [0,1,0,0,1,0|2,0,0]=4 75 B13R1.528 CNC(=O)CCC1=C(Br)C=CC=C1 W10434 [0,1,0,0,1,0|1,0,0]=3 76 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 F13304 [0,1,0,0,1,0|2,0,0]=4 77 B15R1.1321 CCC(=O)[C@@H](C)COCC1=CC=CC=C1 W10350 [0,1,0,0,0,1|1,0,0]=3 78 B15R1.1321 COC(=O)[C@@H](C)COCC1=CC=CC=C1 50125 [0,1,0,0,0,1|2,0,0]=4 79 B15R1.11 CCOC(=O)CNCC1=CC=C(Cl)C=C1 F14244 [0,2,0,0,0,0|2,0,0]=4 80 B15R1.206 COC1=CC=C(CCNC(=O)CCl)C=C1 C77977 [0,2,0,0,0,0|2,0,0]=4 81 B15R1.3836 COC(=O)CCCC1=C(F)C=C(N)C=C1 F52210 [0,2,0,0,0,0|2,0,0]=4 82 B15R1.11630 COC(=O)CCCC1=CC(C)=C(F)C=C1 AC4267 [0,2,0,0,0,0|2,0,0]=4 83 B15R1.826 CCOC(=O)[C@@H](O)CCC1=CC=CC=C1 C14466 [0,2,0,0,0,0|1,0,0]=3 84 B15R1.3175 COC(=O)NCCC1=C(Cl)C=CC(Cl)=C1 C92684 [0,2,0,0,0,0|2,0,0]=4 85 B15R1.1569 COC1=CC=CC(CCNC(=O)CCl)=C1 C78153 [0,2,0,0,0,0|2,0,0]=4 86 B15R1.9095 CC(C)(C)C(=O)CCCC1=CC=CC=C1 F30718 [0,2,0,0,0,0|1,0,0]=3 87 B15R1.9095 [2H]C([2H])([2H])C(=O)OCCC1=CC=CC=C1 D99283 [0,2,0,0,0,0|1,0,0]=3 88 B13R2.3 C1=CC=C([C@@H]2CC=CCC2)C=C1 T72524 [1,0,0,1,0,0|1,0,0]=3 89 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 A50773 [1,0,0,1,0,0|1,0,1]=4 90 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 A50774 [1,0,0,1,0,0|1,0,1]=4 91 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 AR1466 [1,0,0,1,0,0|1,0,1]=4 92 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 AC8554 [1,0,0,1,0,0|1,0,1]=4 93 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 F20832 [1,0,0,1,0,0|1,0,1]=4 94 B13R2.64 C1=CC=C(CN2C=CCC2)C=C1 C16282 [1,0,0,1,0,0|2,0,0]=4 95 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 AT22655 [1,0,0,1,0,0|1,0,1]=4 96 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 C15346 [1,0,0,1,0,0|2,0,0]=4 97 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13019 [1,0,0,1,0,0|2,0,0]=4 98 B13R2.72 NC(=O)[C@@H]1CCC2=C1C=CC=C2 81814 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P18907 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 D76287 [0,0,0,1,1,0|2,0,0]=4 101 B13R2.32 N[C@@H]1C(=O)NCC2=C1C=CC=C2 C14948 [0,0,0,1,1,0|2,0,0]=4 102 B13R2.33 O=C1CCC2=C(CC1)N=CC=C2 AT25963 [0,0,0,1,1,0|1,0,0]=3 103 B13R2.15272 O=C(CBr)[C@@H]1CC2=C1C=CC=C2 AT20399 [0,0,0,1,1,0|1,0,0]=3 104 B15R2.4 COC(=O)C[C@H]1COC2=C1C=CC=C2 AC7330 [0,0,0,1,0,1|2,0,0]=4 105 B15R2.79765 NCC(=O)N1CCCC2=C1C=CC=C2 F21017 [0,0,0,1,0,1|2,0,0]=4 106 B15R2.79765 O=C(CCl)N1CCOC2=C1C=CC=C2 77071 [0,0,0,1,0,1|2,0,0]=4 107 B15R2.3 CC1=CC=C([C@H]2CCC(=O)NC2)C=C1 70999 [0,1,0,1,0,0|1,0,0]=3 108 B15R2.3 CC1=CN=C(C2CCC(=O)CC2)C=C1 C91827 [0,1,0,1,0,0|2,0,0]=4 109 B15R2.3 O=C1CCC(C2=CC=C(F)C=C2)CC1 AC6081 [0,1,0,1,0,0|1,0,0]=3 110 B15R2.3 O=C1CCC(C2=NC=C(F)C=C2)CC1 C91829 [0,1,0,1,0,0|2,0,0]=4 111 B15R2.98 O=C1N[C@@H](CC2=CC=C(Cl)C=C2)CO1 D86286 [0,1,0,1,0,0|2,0,0]=4 112 B15R2.1559 COC(=O)[C@H]1C[C@@H]1C2=CC=C(N)C=C2 C77481 [0,1,0,1,0,0|2,0,0]=4 113 B15R2.50022 CN1C(=O)CCCC2=C1C=C(N)C=C2 P12847 [0,1,0,1,0,0|2,0,0]=4 114 B15R2.50022 C[C@@H]1C(=O)NCCC2=C1C=C(Br)C=C2 F52253 [0,1,0,1,0,0|1,0,0]=3 115 B15R2.79417 COC(=O)[C@@H]1CCC2=C1C=C(Br)C=C2 93699 [0,1,0,1,0,0|2,0,0]=4 116 B15R2.94 CC1CC(C2=CC=CC=C2)CCC1=O AC8439 [0,1,0,1,0,0|1,0,0]=3 117 B15R2.96 NC1(C2=CC=CC=C2)CCC(=O)CC1 P17307 [0,1,0,1,0,0|1,0,0]=3 118 B15R2.297 O=C1CCC(C(O)C2=CC=CC=C2)O1 AC7262 [0,1,0,1,0,0|0,0,0]=2 119 B15R2.73 CCOC(=O)[C@@H]1COC2=C1C=CC=C2 AT21245 [0,1,0,1,0,0|2,0,0]=4 120 B15R2.73 NCCC(=O)N1CCC2=C1C=CC=C2 F21132 [0,1,0,1,0,0|1,0,0]=3 121 B15R2.325 C[C@H]1NC(=O)CN1CC2=CC=CC=C2 F52330 [0,1,0,1,0,0|2,0,0]=4 122 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 H11098 [0,1,0,1,0,0|1,0,0]=3 123 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AT11583 [0,1,0,1,0,0|1,0,0]=3 124 B15R2.1569 COC(=O)CC1CC2=C(C=CC=C2)C1 73355 [0,1,0,1,0,0|2,0,0]=4 125 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 69680 [0,1,0,1,0,0|2,0,0]=4 126 B15R2.19402 COC(=O)[C@@]1(N)CCC2=C1C=CC=C2 D88140 [0,1,0,1,0,0|2,0,0]=4 127 B15R2.308 O=C1CO[C@H](C2=C(Cl)C=CC=C2)CN1 AC7435 [0,1,0,1,0,0|2,0,0]=4 128 B15R2.2170 COC(=O)[C@@H]1CCC2=C1C=CC=C2O E10119 [0,1,0,1,0,0|2,0,0]=4 129 B15R2.28 CC1=CC(C2CCC(=O)CC2)=CN=C1 C91032 [0,1,0,1,0,0|2,0,0]=4 130 B15R2.63978 CN1C(=O)CCCC2=C1C=CC(N)=C2 P11370 [0,1,0,1,0,0|2,0,0]=4 131 B15R3.794 O=C1CCC2=C3C(=CC=C2)CCN13 83726 [0,0,0,2,0,0|1,0,0]=3 132 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [1,0,0,0,1,0|1,0,0]=3 133 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [1,0,0,0,1,0|2,0,0]=4 134 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [1,0,0,0,1,0|2,0,0]=4 135 B11R1.25 COC(=O)CCC1=CC=CS1 C91137 [0,0,0,0,2,0|2,0,0]=4 136 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,0,0,0,2,0|1,0,1]=4 137 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [0,0,0,0,2,0|1,0,1]=4