0 B14R1.520 CCOC(=O)CCCC1=NC=CN=C1 98000 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 71162 [0,0,0,0,0,0|1,0,1]=2 2 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 71468 [0,0,0,0,0,0|0,0,2]=2 3 B14R1.520 CCO[C@H](C)OCCC1=CC=CC=C1 41918 [0,0,0,0,0,0|2,0,1]=3 4 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 91196 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.28 CCCCOCCC1=CC=CC=C1 S10144 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.718 COC(=O)CCNC1=CC=NC=C1 W15229 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.718 COC(=O)NCCC1=CC=CC=C1 F15323 [1,0,0,0,0,0|1,0,0]=2 8 B15R1.11 CCOC(=O)CNCC1=CC=C(Cl)C=C1 F14244 [0,1,0,0,0,0|1,0,0]=2 9 B15R1.11 CCOC(=O)C\C=C/C1=CC=C(C)C=C1 44455 [0,1,0,0,0,0|0,0,2]=3 10 B15R1.826 CCOC(=O)[C@@H](O)CCC1=CC=CC=C1 C14466 [0,1,0,0,0,0|0,0,0]=1 11 B15R2.73 CCOC(=O)C1=C2C=CC=CC2=CN1 F31219 [0,0,0,1,0,0|1,0,2]=4 12 B15R2.73 CCOC(=O)C1=COC2=C1C=CC=C2 AC5125 [0,0,0,1,0,0|1,0,2]=4 13 B15R2.73 CCOC(=O)[C@@H]1COC2=C1C=CC=C2 AT21245 [0,0,0,1,0,0|1,0,0]=2 14 B15R2.73 NCCC(=O)N1CCC2=C1C=CC=C2 F21132 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.325 C[C@H]1NC(=O)CN1CC2=CC=CC=C2 F52330 [0,0,0,1,0,0|2,0,0]=3 16 B15R2.325 O=C1C[C@H](CC2=CC=CC=C2)C(=O)O1 F50342 [0,0,0,1,0,0|1,0,1]=3 17 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 AC6033 [0,0,0,1,0,0|2,0,1]=4 18 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 H11098 [0,0,0,1,0,0|0,0,0]=1 19 B15R2.1342 CCOC(=O)C1CC1C2=NN=CC=C2 C93037 [0,0,0,1,0,0|2,0,0]=3 20 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AT11583 [0,0,0,1,0,0|0,0,0]=1 21 B13R1.42 CCC[C@H](O)CCC1=CC=CC=C1 F19746 [0,0,0,0,1,0|1,0,2]=4 22 B13R1.42 CCOC(=O)C#CC1=NC=CC=C1 AC6567 [0,0,0,0,1,0|1,0,2]=4 23 B13R1.42 CCOC(=O)CCC1=NC=CC=N1 F14067 [0,0,0,0,1,0|2,0,0]=3 24 B13R1.42 C\C=C/C(=O)OCC1=CC=CC=C1 W13679 [0,0,0,0,1,0|2,0,1]=4 25 B13R1.42 C\C=C\C(=O)OCC1=CC=CC=C1 W15659 [0,0,0,0,1,0|2,0,1]=4 26 B13R1.42 C\C=C\C(=O)OCC1=CC=CC=C1 W18720 [0,0,0,0,1,0|2,0,1]=4 27 B13R1.42 O=C(CCF)OCC1=CC=CC=C1 31544 [0,0,0,0,1,0|3,0,0]=4 28 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 AT25408 [2,0,0,0,0,0|0,0,2]=4 31 B12R1.252 O=C(O)CCCC1=CN=CC=C1 AT25838 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.252 O=C(O)CCNC1=CC=NC=C1 W15226 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.252 O=C(O)CCNC1=NC=CC=C1 65602 [2,0,0,0,0,0|2,0,0]=4 34 B14R1.123 NCCOCCOCC1=CC=CC=C1 S10508 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.123 OCCOCCNCC1=CC=CC=C1 D87926 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.13 COC(=O)\C=C\CC1=CC=C(Br)C=C1 66201 [1,1,0,0,0,0|0,0,2]=4 37 B14R1.13 COC(=O)\C=C\CC1=CC=C(Cl)C=C1 66200 [1,1,0,0,0,0|0,0,2]=4 38 B14R1.743 COC(=O)C[C@H](N)CC1=CC=CC=C1 F20090 [1,1,0,0,0,0|0,0,0]=2 39 B14R1.837 COC(=O)CCNC1=C(N)C=CC=C1 96036 [1,1,0,0,0,0|1,0,0]=3 40 B14R1.1025 COC(=O)C\C=C\C1=CC=CC(F)=C1 AB10116 [1,1,0,0,0,0|0,0,2]=4 41 B14R1.6449 C[C@H](N)C(=O)OCCC1=CC=CC=C1 F52314 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.6449 C[C@H](N)C(=O)OCCC1=CC=CC=C1 F52320 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 N12672 [0,1,0,0,1,0|0,0,0]=2 44 B14R1.29 CCOC(=O)C[C@H](N)C1=NC=CC=C1 F30871 [0,1,0,0,1,0|1,0,0]=3 45 B14R1.29 CCOC(=O)N[C@@H](C)C1=CC=CC=C1 AC7549 [0,1,0,0,1,0|1,0,0]=3 46 B14R1.32 CCOC(=O)CCC1=CC(N)=CC=C1 AC2664 [0,1,0,0,1,0|0,0,0]=2 47 B14R1.32 CCOC(=O)CNC1=CC=CC(Cl)=C1 N11777 [0,1,0,0,1,0|1,0,0]=3 48 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 N14357 [0,1,0,0,1,0|0,0,0]=2 49 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=NC=C1 67499 [0,1,0,0,1,0|1,0,0]=3 50 B14R1.60 CCOC(=O)[C@@H](N)CC1=CN=CC=C1 67498 [0,1,0,0,1,0|1,0,0]=3 51 B14R1.60 CCOC(=O)[C@H](C)OC1=CC=CC=C1 98061 [0,1,0,0,1,0|1,0,0]=3 52 B14R1.502 CCOC(=O)C#CC1=CC=C(C)C=C1 44454 [0,1,0,0,1,0|0,0,2]=4 53 B14R1.502 CCOC(=O)CCC1=CN=C(Br)C=C1 F30861 [0,1,0,0,1,0|1,0,0]=3 54 B14R1.502 CCOC(=O)CCC1=CN=C(Cl)N=C1 98592 [0,1,0,0,1,0|2,0,0]=4 55 B14R1.502 CCOC(=O)CCC1=CN=C(N)C=C1 F30860 [0,1,0,0,1,0|1,0,0]=3 56 B14R1.502 CCOC(=O)COC1=NC=C(Br)C=C1 96551 [0,1,0,0,1,0|2,0,0]=4 57 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=N1 F30872 [0,1,0,0,1,0|1,0,0]=3 58 B14R1.598 CCOC(=O)CCC1=CC=CN=C1F D74999 [0,1,0,0,1,0|1,0,0]=3 59 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 W16433 [0,1,0,0,1,0|0,0,2]=4 60 B16R1.905 CCOC(=O)CC\C=C\C1=CC=CC(Br)=C1 S11637 [0,1,0,0,0,1|0,0,1]=3 61 B16R1.929 CCOC(=O)CCCN(C)C1=CC=CC=C1 E72114 [0,1,0,0,0,1|0,0,0]=2 62 B16R1.934 CCOC(=O)CCN(C)CC1=CC=CC=C1 AC5745 [0,1,0,0,0,1|0,0,0]=2 63 B16R1.1570 CCOC(=O)C[C@H](C)NCC1=CC=CC=C1 F18052 [0,1,0,0,0,1|0,0,0]=2 64 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(F)C=C1 W10261 [0,2,0,0,0,0|0,0,1]=3 65 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(Br)C=C1 F14074 [0,2,0,0,0,0|0,0,1]=3 66 B16R1.955 CCOC(=O)C[C@H](N)CC1=CC=C(Br)C=C1 F13068 [0,2,0,0,0,0|0,0,0]=2 67 B16R1.955 CCOC(=O)C[C@H](N)CC1=CC=C(Br)C=C1 F13069 [0,2,0,0,0,0|0,0,0]=2 68 B16R1.955 CCOC(=O)C[C@H](N)CC1=CC=C(Br)C=C1 F14068 [0,2,0,0,0,0|0,0,0]=2 69 B16R1.912 CCOC(=O)[C@@H](O)CC(=O)C1=CC=CC=C1 D86073 [0,2,0,0,0,0|0,0,1]=3 70 B16R1.956 CCOC(=O)CC(=O)CC1=CC=CC(Cl)=C1 76558 [0,2,0,0,0,0|0,0,1]=3 71 B16R1.740 CCOC(=O)[C@H](C=O)OCC1=CC=CC=C1 AT14287 [0,2,0,0,0,0|1,0,0]=3 72 B14R2.101 C1=CC=C(CN[C@H]2CCOC2)C=C1 79981 [1,0,0,1,0,0|1,0,1]=4 73 B14R2.1253 C1=CC=C([C@H]2CCCNCC2)C=C1 F16666 [1,0,0,1,0,0|1,0,1]=4 74 B14R2.19 O=C1C=C(CC2=CC=CC=C2)CC1 87682 [1,0,0,1,0,0|0,0,2]=4 75 B14R2.19 O=C1CC[C@H](CC2=CC=CC=C2)C1 33453 [1,0,0,1,0,0|0,0,0]=2 76 B14R2.68 O=C1CCC(C2=CC=NC=C2)CC1 C91035 [1,0,0,1,0,0|1,0,0]=3 77 B14R2.68 O=C1CCC(C2=CN=CC=C2)CC1 C91031 [1,0,0,1,0,0|1,0,0]=3 78 B14R2.68 O=C1CCC(C2=NC=CC=C2)CC1 C91030 [1,0,0,1,0,0|1,0,0]=3 79 B14R2.68 O=C1CCC(C2=NC=CN=C2)CC1 C91036 [1,0,0,1,0,0|2,0,0]=4 80 B14R2.68 O=C1CCC(C2=NC=NC=C2)CC1 F51056 [1,0,0,1,0,0|2,0,0]=4 81 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 F13287 [1,0,0,1,0,0|1,0,0]=3 82 B14R2.68 O=C1CCN(C2=NC=CC=C2)CC1 D85591 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77665 [1,0,0,1,0,0|1,0,0]=3 84 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P18324 [1,0,0,1,0,0|1,0,0]=3 85 B14R2.95 COC(=O)[C@@H]1COC2=C1C=CC=C2 AT19700 [1,0,0,1,0,0|1,0,0]=3 86 B14R2.958 COC(=O)C1CC1C2=CC=CC=C2 AT11593 [1,0,0,1,0,0|0,0,0]=2 87 B14R2.958 COC(=O)C1NC1C2=CC=CC=C2 AC4801 [1,0,0,1,0,0|1,0,0]=3 88 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 AC6025 [1,0,0,1,0,0|1,0,0]=3 89 B14R2.958 COC(=O)[C@@H]1N=C1C2=CC=CC=C2 AC4984 [1,0,0,1,0,0|1,0,1]=4 90 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 AC8629 [1,0,0,1,0,0|0,0,0]=2 91 B14R2.21 O=C1CCCN(C2=CC=CC=C2)C1 29248 [0,0,0,1,1,0|2,0,0]=4 92 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)N1 C15767 [0,0,0,1,1,0|2,0,0]=4 93 B14R2.21 O=C1CCN[C@H](C2=CC=CC=C2)C1 S11348 [0,0,0,1,1,0|2,0,0]=4 94 B14R2.21 O=C1C[C@@H](C2=CC=CC=C2)CCN1 P10604 [0,0,0,1,1,0|1,0,0]=3 95 B16R2.92 CCO[C@H]1CCN(CC2=CC=CC=C2)C1 31794 [0,0,0,1,0,1|1,0,1]=4 96 B16R2.252 O=C1C=C(OCC2=CC=CC=C2)CCO1 AC3965 [0,0,0,1,0,1|0,0,2]=4 97 B16R2.2904 O=C1N[C@@H](CCC2=CC=CC=C2)C(=O)O1 AC4041 [0,0,0,1,0,1|1,0,1]=4 98 B16R2.160202 NCCC(=O)N1CCCC2=C1C=CC=C2 F21221 [0,0,0,1,0,1|2,0,0]=4 99 B16R2.723 CCOC(=O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 H11208 [0,1,0,1,0,0|0,0,0]=2 100 B16R2.2899 CC1OC(=O)CC1C(=O)C2=CC=CC=C2 O11160 [0,1,0,1,0,0|0,0,1]=3 101 B16R2.3253 C=C1COCCN(CC2=CC=CC=C2)C1 W10676 [0,1,0,1,0,0|2,0,0]=4 102 B16R2.2822 C[C@H]1CC(=O)CN(CC2=CC=CC=C2)C1 C77550 [0,1,0,1,0,0|2,0,0]=4 103 B16R2.2822 C[C@H]1CN(CC2=CC=CC=C2)CC(=O)N1 C91373 [0,1,0,1,0,0|2,0,0]=4 104 B16R2.35 C[C@H]1C(=O)CCCN1CC2=CC=CC=C2 97759 [0,1,0,1,0,0|2,0,0]=4 105 B16R2.767 CCOC(=O)N1CCC2=C(C=CC=N2)C1 F12522 [0,1,0,1,0,0|2,0,0]=4 106 B16R2.29851 CCOC(=O)[C@@]1(N)CCC2=C1C=CC=C2 93140 [0,1,0,1,0,0|0,0,0]=2 107 B16R2.29851 CCOC(=O)[C@@]1(N)CCC2=C1C=CC=C2 94489 [0,1,0,1,0,0|0,0,0]=2 108 B16R2.29851 CCOC(=O)[C@@]1(N)COC2=C1C=CC=C2 93757 [0,1,0,1,0,0|1,0,0]=3 109 B16R2.320 CC1(C)OC(=O)C=N[C@@H]1C2=CC=CC=C2 T71268 [0,1,0,1,0,0|1,0,1]=4 110 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 W16385 [1,0,0,0,1,0|0,0,2]=4 111 B12R1.27 COC(=O)CCC1=NC=CN=C1 C15360 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.27 COC(=O)CCC1=NC=NC=C1 F14178 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.32 CCOC(=O)CC1=CC=NC=C1 31557 [0,0,0,0,2,0|1,0,0]=3 114 B12R1.32 CCOC(=O)CC1=CN=CN=C1 F53477 [0,0,0,0,2,0|2,0,0]=4 115 B12R1.32 CCOC(=O)NC1=CN=CC=C1 F14111 [0,0,0,0,2,0|2,0,0]=4 116 B12R1.32 CCOC(=O)OC1=NC=CC=C1 F18008 [0,0,0,0,2,0|2,0,0]=4 117 B12R1.51 CCOC(=O)CCC1=CC=CN1 D87708 [0,0,0,0,2,0|1,0,0]=3