0 B13R1.45 CC(C)=NOC(=O)C1=CC=CC=C1 7007AL [0,0,0,0,0,0|1,0,1]=2 1 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 7164AJ [0,0,0,0,0,0|2,0,0]=2 2 B13R1.45 CN(C)CCC(Cl)C1=CC=CC=C1 8635AH [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 6102AC [0,0,0,0,0,0|3,0,1]=4 4 B13R1.45 CN(C)CC[C@@H](O)C1=CC=CC=C1 3422AD [0,0,0,0,0,0|2,0,2]=4 5 B13R1.45 CN(C)\C=C\C(=O)C1=CC=NC=C1 7672AE [0,0,0,0,0,0|3,0,1]=4 6 B12R1.30 C#CCOC(=O)C1=CC=CN=C1 8276AD [1,0,0,0,0,0|1,0,2]=4 7 B12R1.30 C=CCOC(=O)C1=CC=NC=C1 8094AL [1,0,0,0,0,0|1,0,2]=4 8 B12R1.30 CCCCC(=O)C1=CC=CN=C1 8729AA [1,0,0,0,0,0|2,0,0]=3 9 B12R1.30 CCCCC(=O)C1=CC=NC=C1 8730AA [1,0,0,0,0,0|2,0,0]=3 10 B12R1.30 CCCCC(=O)C1=NC=CN=C1 5634AB [1,0,0,0,0,0|3,0,0]=4 11 B12R1.30 NCCCC(=O)C1=CC=CN=C1 2606AJ [1,0,0,0,0,0|3,0,0]=4 12 B12R1.30 NCCCC(=O)C1=CN=CC=C1 2616AJ [1,0,0,0,0,0|3,0,0]=4 13 B12R1.30 NCCNC(=O)C1=CC=CC=C1 4647AD [1,0,0,0,0,0|2,0,0]=3 14 B12R1.30 NCCNC(=O)C1=CN=CC=C1 3769AF [1,0,0,0,0,0|3,0,0]=4 15 B12R1.30 NCCNC(=O)C1=NC=CC=C1 7830AC [1,0,0,0,0,0|3,0,0]=4 16 B12R1.30 O=C(NCCO)C1=CC=NC=C1 9459AB [1,0,0,0,0,0|3,0,0]=4 17 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [1,0,0,0,0,0|2,0,1]=4 18 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [1,0,0,0,0,0|2,0,1]=4 19 B12R1.252 CC(O)CNCC1=CC=CC=C1 2537AB [1,0,0,0,0,0|2,0,1]=4 20 B14R1.160 CC(C)CNC(=O)C1=CC=CN=C1Cl 6401AE [0,1,0,0,0,0|2,0,0]=3 21 B14R1.160 CN(C)\C=C\C(=O)C1=CC=CC=C1O Z6841 [0,1,0,0,0,0|2,0,1]=4 22 B14R1.163 CNC(=O)CNC(=O)C1=CC=CC=C1 2066AB [0,1,0,0,0,0|2,0,1]=4 23 B14R1.678 CC(C)CNC(=O)C1=CC=C(Br)C=C1 V3616 [0,1,0,0,0,0|1,0,0]=2 24 B14R1.678 CC1=CC=C(C(=O)CCN(C)C)C=C1 5709AJ [0,1,0,0,0,0|2,0,0]=3 25 B14R1.678 CC1=CC=C(C(=O)\C=C\N(C)C)C=C1 V3909 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 0829AB [0,1,0,0,0,0|2,0,0]=3 27 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 4299AB [0,1,0,0,0,0|2,0,0]=3 28 B14R1.678 CN(C)\C=C\C(=O)C1=CC=C(Cl)C=C1 V4918 [0,1,0,0,0,0|2,0,1]=4 29 B14R1.3098 O=C(CCC(F)(F)F)C1=CC=CC=C1 1068AC [0,1,0,0,0,0|3,0,0]=4 30 B14R2.68 NC1CC=C(C2=CC=CC=C2)CC1 V6313 [0,0,0,1,0,0|3,0,0]=4 31 B14R2.422 NC1CN(C(=O)C2=CC=CC=C2)C1 2074AF [0,0,0,1,0,0|2,0,0]=3 32 B12R1.54 CC(C)CNC(=O)N1C=CN=C1 7278AJ [0,0,0,0,1,0|3,0,0]=4 33 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [0,0,0,0,1,0|1,0,1]=3 34 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 V7883 [0,0,0,0,1,0|2,0,1]=4 35 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [0,0,0,0,1,0|1,0,1]=3 36 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 W6864 [0,0,0,0,1,0|1,0,0]=2 37 B12R1.107 CC(C)NC(C)C1=CC=CC=C1 W4133 [0,0,0,0,1,0|2,0,1]=4 38 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 0890AC [0,0,0,0,1,0|2,0,1]=4 39 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 7718AL [0,0,0,0,1,0|1,0,0]=2 40 B14R1.420 CC(C)=CCOC(=O)C1=CC=CC=C1 7122AL [0,0,0,0,0,1|0,0,1]=2 41 B14R1.420 CC(C)C=NNC(=O)C1=CC=CC=C1 7156AE [0,0,0,0,0,1|1,0,1]=3 42 B11R1.16 CCOC(=N)C1=CC=NC=C1 Y9045 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.16 CCOC(=O)C1=CC=NN=C1 5094AB [2,0,0,0,0,0|2,0,0]=4 44 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 6705AB [2,0,0,0,0,0|0,0,2]=4 45 B11R1.28 ClCCOCC1=CC=CC=C1 8862AA [2,0,0,0,0,0|1,0,1]=4 46 B13R1.11 CC(CO)NC(=O)C1=CC=CC=C1 1881AB [1,1,0,0,0,0|2,0,0]=4 47 B13R1.17 CCCNC(=O)C1=CC=C(N)C=C1 2236AE [1,1,0,0,0,0|1,0,0]=3 48 B13R1.17 CCCNC(=O)C1=NC=C(Br)C=C1 V7934 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.17 O=C(CCCBr)C1=CC=C(F)C=C1 X6243 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.18 CCCCS(=O)C1=CC(Br)=CC=C1 Z8347 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.18 CCCNC(=O)C1=CC=CC(N)=C1 0123AF [1,1,0,0,0,0|1,0,0]=3 52 B13R1.18 CCCNC(=O)C1=NC=CC(Cl)=C1 V7343 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.18 O=C(CCCCl)C1=CC(Cl)=CC=C1 2812AF [1,1,0,0,0,0|2,0,0]=4 54 B13R1.24 CCCCCC(=O)C1=CN=CC=C1 2635AC [1,1,0,0,0,0|2,0,0]=4 55 B13R1.24 CCCCCC(=O)C1=NC=CC=C1 5823AB [1,1,0,0,0,0|2,0,0]=4 56 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 7949AC [1,1,0,0,0,0|1,0,1]=4 57 B13R1.24 NCCCNC(=O)C1=NC=CC=C1 9899AE [1,1,0,0,0,0|2,0,0]=4 58 B13R1.122 NCCOS(=O)(=O)C1=CC=CC=C1 2041AC [1,1,0,0,0,0|2,0,0]=4 59 B13R1.674 CCCNC(=O)C1=CC=CC=C1Br V5354 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl 5011AE [1,1,0,0,0,0|2,0,0]=4 61 B13R1.149 CC(C)CCOC1=CC(N)=CC=C1 9070AC [1,1,0,0,0,0|2,0,0]=4 62 B13R1.149 CC(C)CNCC1=CC=CC(F)=C1 Z6430 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.348 CC(C)CC(=O)NC1=CC=CC=C1 5877AF [1,1,0,0,0,0|2,0,0]=4 64 B13R1.351 CC(C)C(C)NCC1=CC=CC=C1 8760AC [1,1,0,0,0,0|1,0,1]=4 65 B13R1.513 CC(C)CCOC1=CC=C(N)C=C1 4820AE [1,1,0,0,0,0|2,0,0]=4 66 B13R1.718 CC(CBr)COCC1=CC=CC=C1 5257AC [1,1,0,0,0,0|0,0,1]=3 67 B13R1.718 CC(CO)CNCC1=CC=CC=C1 0887AF [1,1,0,0,0,0|1,0,1]=4 68 B13R1.718 OC(CBr)COCC1=CC=CC=C1 4774AL [1,1,0,0,0,0|1,0,1]=4 69 B13R1.718 OCC(O)COCC1=CC=CC=C1 Z5688 [1,1,0,0,0,0|1,0,1]=4 70 B13R1.3523 C[Si](C)(C)C\C=C\C1=CC=CC=C1 0174AB [1,1,0,0,0,0|1,1,0]=4 71 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 2650AE [0,1,0,0,1,0|1,0,1]=4 72 B13R1.147 CC(C)NC(=O)C1=CN=CC(Br)=C1 Y3579 [0,1,0,0,1,0|2,0,0]=4 73 B13R1.147 CC(C)OC(=O)C1=CC(O)=CC=C1 5146AE [0,1,0,0,1,0|0,0,0]=2 74 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C Y9479 [0,1,0,0,1,0|1,0,1]=4 75 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 7593AB [0,1,0,0,1,0|2,0,0]=4 76 B13R1.352 O=C(CC(F)(F)F)C1=CC=CC=C1 W3572 [0,1,0,0,1,0|2,0,0]=4 77 B15R1.9094 C[N+](C)(C)CCSC(=O)C1=CC=CC=C1 7134AL [0,1,0,0,0,1|1,1,0]=4 78 B15R1.889 CC(O)CNC(=O)C1=CC(F)=C(F)C=C1 5733AJ [0,2,0,0,0,0|2,0,0]=4 79 B15R1.5728 CC(C)CCS(=O)(=O)C1=CC(N)=CC=C1 V2748 [0,2,0,0,0,0|2,0,0]=4 80 B15R1.881 CC(C)C(=O)CC(=O)C1=CC=C(F)C=C1 2385AA [0,2,0,0,0,0|1,0,1]=4 81 B15R1.903 CC(C)CNS(=O)(=O)C1=CC=C(N)C=C1 5160AE [0,2,0,0,0,0|2,0,0]=4 82 B15R1.23261 CC(C)(C)COS(=O)(=O)C1=CC=CC=C1 V7620 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.90 CC(C)COC1=CC=CC=C1C=O 0137AF [0,0,1,1,0,0|2,0,0]=4 84 B13R1.643 CC(C)COC1=CC(C=O)=CC=C1 7959AE [0,0,1,1,0,0|2,0,0]=4 85 B13R2.371 O=C1CCC(O)C2=CC=CC=C12 0747AB [1,0,0,1,0,0|2,0,0]=4 86 B13R2.371 O=C1COC(=O)C2=CC=CC=C12 Z2304 [1,0,0,1,0,0|1,0,1]=4 87 B13R2.2931 N#CC1OC(=O)C2=CC=CC=C21 0185AQ [1,0,0,1,0,0|1,0,1]=4 88 B13R2.5252 O=C1CCCSC2=CC=CC=C12 1335AJ [1,0,0,1,0,0|2,0,0]=4 89 B13R2.5252 O=C1NCCOC2=CC=CC=C12 0902AC [1,0,0,1,0,0|2,0,0]=4 90 B13R2.5252 O=C1NCCSC2=CC=CC=C12 1860AL [1,0,0,1,0,0|2,0,0]=4 91 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 9729AC [1,0,0,1,0,0|1,0,1]=4 92 B13R2.3122 CC1(C)CCNC2=CC=CC=C21 2555AJ [1,0,0,1,0,0|2,0,0]=4 93 B13R2.3122 CC1(C)CNCC2=CC=CC=C21 2308AC [1,0,0,1,0,0|1,0,1]=4 94 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 1366AJ [0,0,0,1,1,0|1,0,0]=3 95 B13R2.12159 CC1(C)OC(=O)C2=C1C=CC=C2 5439AD [0,0,0,1,1,0|0,0,0]=2 96 B13R2.12159 CC1=CC(C)(C)C2=C1C=CC=C2 1053AB [0,0,0,1,1,0|1,0,1]=4 97 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)C1 Y6991 [0,0,0,1,0,1|1,0,1]=4 98 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)N1 6411AL [0,0,0,1,0,1|1,0,1]=4 99 B15R2.33 CN1CCC(=O)C(C2=CC=CC=C2)C1 X5643 [0,0,0,1,0,1|2,0,0]=4 100 B15R2.993 CC(C)CN1C2=CC=CC=C2N=C1S 5548AE [0,0,0,1,0,1|1,1,0]=4 101 B15R2.7532 CC1(C)CN=C(CC2=CC=CC=C2)C1 2724AA [0,0,0,1,0,1|2,0,0]=4 102 B15R2.7494 CC1(C)CCC(=O)C2=C1C=CC(Br)=C2 3067AL [0,1,0,1,0,0|1,0,0]=3 103 B15R2.7474 CC1(C)COC(C2=C(Cl)C=CC=C2)=N1 1716AL [0,1,0,1,0,0|1,0,0]=3 104 B15R2.7474 CC1(C)COC(C2=C(F)C=CC=C2)=N1 1718AL [0,1,0,1,0,0|1,0,0]=3 105 B15R2.61763 CC1(C)C(=O)OC(=O)C2=CC=CC=C21 3510AB [0,1,0,1,0,0|0,0,1]=3 106 B15R2.39201 CC(C)N1C=C(C=O)C2=C1C=CC=C2 4692AD [0,1,0,1,0,0|2,0,0]=4 107 B11R1.29 CCCCC(=O)C1=CC=CO1 Z5508 [1,0,0,0,1,0|2,0,0]=4 108 B11R1.29 CCCCC(=O)C1=CC=CS1 Z5534 [1,0,0,0,1,0|2,0,0]=4 109 B11R1.91 CC(Cl)COC1=CC=CC=C1 4945AL [1,0,0,0,1,0|1,0,0]=3 110 B11R1.91 CC(N)COC1=CC=CC=C1 4356AB [1,0,0,0,1,0|1,0,0]=3 111 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,0,0,0,2,0|1,0,1]=4 112 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [0,0,0,0,2,0|0,0,2]=4 113 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl L006 [0,0,0,0,2,0|2,0,0]=4 114 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 2418AE [0,0,0,0,2,0|2,0,0]=4 115 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 4504AH [1,0,0,0,0,1|2,0,0]=4 116 B13R1.337 CC(C)NCCOC1=CC=CC=C1 8051AB [1,0,0,0,0,1|2,0,0]=4