0 B12R1.27 NCC(O)COC1=CC=CC=C1 3219AE [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 NCC(O)COC1=CC=CC=C1 Z2335 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 C=CCC#CC1=CC=CC=C1 1010AQ [1,0,0,0,0,0|1,0,2]=4 3 B11R1.28 C=CCNCC1=CC=CC=C1 3700AL [1,0,0,0,0,0|2,0,0]=3 4 B11R1.28 C=CCOCC1=CC=CC=C1 3133AL [1,0,0,0,0,0|2,0,0]=3 5 B11R1.28 CCCCCC1=CC=NC=C1 3027AB [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 CCCCCC1=NC=CC=C1 S154 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 CNCCOC1=CC=CC=C1 0730AF [1,0,0,0,0,0|3,0,0]=4 8 B11R1.28 ClCCCCC1=CC=CC=C1 4817AL [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 ClCCCCC1=CC=NC=C1 7448AA [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [1,0,0,0,0,0|1,0,1]=3 11 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [1,0,0,0,0,0|0,0,0]=1 12 B11R1.28 O=CNCCC1=CC=CC=C1 1248AQ [1,0,0,0,0,0|1,0,0]=2 13 B11R1.28 OCCCNC1=CC=CC=C1 5828AL [1,0,0,0,0,0|1,0,2]=4 14 B11R1.91 C=C(C)OCC1=CC=CC=C1 7143AL [1,0,0,0,0,0|1,0,1]=3 15 B11R1.91 CC(=O)C#CC1=CC=CC=C1 W3943 [1,0,0,0,0,0|0,0,3]=4 16 B11R1.91 CC(=O)CSC1=CC=CC=C1 4421AE [1,0,0,0,0,0|1,0,1]=3 17 B11R1.91 CC(=O)NCC1=CC=NC=C1 8097AD [1,0,0,0,0,0|2,0,1]=4 18 B11R1.91 CC(C)CCC1=CC=CC=C1 5880AF [1,0,0,0,0,0|0,0,1]=2 19 B11R1.91 NC(=O)COC1=CC=CC=C1 6854AE [1,0,0,0,0,0|2,0,1]=4 20 B11R1.91 O=C(O)CCC1=CC=NC=C1 Y9675 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.135 N[C@@H](CC1=CC=CC=C1)[C@H](O)CCl Y6616 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O 2966AH [0,1,0,0,0,0|1,0,0]=2 23 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 6574AH [0,1,0,0,0,0|1,0,0]=2 24 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 X9098 [0,1,0,0,0,0|1,0,0]=2 25 B13R2.32 O=C1C2=C(C=CC=C2)CCC1Br 6502AA [0,0,0,1,0,0|1,0,0]=2 26 B13R2.57 BrCC1CCC2=C(C=CC=C2)O1 Y5577 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 Y9292 [0,0,0,1,0,0|1,0,2]=4 28 B13R2.57 OCC1CCC2=C(C=CC=C2)O1 Y4165 [0,0,0,1,0,0|1,0,2]=4 29 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 V8838 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.40 CC(CO)OC1=CC=CC=C1 5778AL [0,0,0,0,1,0|1,0,2]=4 31 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [0,0,0,0,1,0|3,0,0]=4 32 B13R1.718 CC(CN)CNCC1=CC=CC=C1 8505AL [0,0,0,0,0,1|1,0,1]=3 33 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 9195AB [0,0,0,0,0,1|1,0,2]=4 34 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 8687AB [0,0,0,0,0,1|1,0,2]=4 35 B13R1.718 OCC(O)COCC1=CC=CC=C1 6578AB [0,0,0,0,0,1|1,0,2]=4 36 B10R1.17 BrCCSC1=CC=CC=C1 5534AL [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 C=CCSC1=CC=CC=C1 7036AL [2,0,0,0,0,0|1,0,1]=4 38 B10R1.17 C=COCC1=CC=CC=C1 1335AL [2,0,0,0,0,0|1,0,1]=4 39 B10R1.17 CCOCC1=CC=CC=C1 S562 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.17 CNCCC1=CC=NC=C1 5553AE [2,0,0,0,0,0|2,0,0]=4 41 B10R1.17 COCSC1=CC=CC=C1 8208AL [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 ClCSCC1=CC=CC=C1 2470AE [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 NCCCC1=CC=CN=C1 X2118 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 NCCCC1=CC=NC=C1 3209AB [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 NNCCC1=CC=CC=C1 4752AE [2,0,0,0,0,0|2,0,0]=4 46 B10R1.17 OCCNC1=CC=CC=C1 V7623 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 9802AE [1,1,0,0,0,0|1,0,1]=4 48 B12R1.1 CCCCCC1=CC=C(I)C=C1 0657AF [1,1,0,0,0,0|1,0,1]=4 49 B12R1.8 CCCCCNC1=CC=CC=C1 8652AL [1,1,0,0,0,0|1,0,1]=4 50 B12R1.8 CCCCOCC1=CC=CC=C1 7140AL [1,1,0,0,0,0|1,0,1]=4 51 B12R1.8 ClCCCCCC1=CC=CC=C1 4694AH [1,1,0,0,0,0|1,0,1]=4 52 B12R1.8 ClCCCOCC1=CC=CC=C1 2353AB [1,1,0,0,0,0|1,0,1]=4 53 B12R1.8 O=COC\C=C\C1=CC=CC=C1 Z3647 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.8 OCCCNCC1=CC=CC=C1 6427AB [1,1,0,0,0,0|0,0,2]=4 55 B12R1.8 S=C=NCCCC1=CC=CC=C1 8721AD [1,1,0,0,0,0|0,1,1]=4 56 B12R1.30 CCCCC(O)C1=CC=CC=C1 8631AB [1,1,0,0,0,0|1,0,1]=4 57 B12R1.252 CC(=O)COCC1=CC=CC=C1 1360AB [1,1,0,0,0,0|1,0,0]=3 58 B12R1.252 O=C(O)CCNC1=CC=CC=C1 V6650 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.252 O=C(O)CCSC1=CC=CC=C1 7334AB [1,1,0,0,0,0|1,0,0]=3 60 B12R1.267 C=CCOCC1=CC=CC=C1F Z8149 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 0827AD [1,1,0,0,0,0|1,0,1]=4 62 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 5686AF [1,1,0,0,0,0|1,0,1]=4 63 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4819AE [1,1,0,0,0,0|1,0,1]=4 64 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 8511AE [1,1,0,0,0,0|1,0,1]=4 65 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 5530AH [1,1,0,0,0,0|1,0,1]=4 66 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 7325AE [1,1,0,0,0,0|1,0,1]=4 67 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 1968AL [1,1,0,0,0,0|1,0,1]=4 68 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 8476AC [1,1,0,0,0,0|1,0,1]=4 69 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 9207AA [1,1,0,0,0,0|1,0,1]=4 70 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 2907AH [1,1,0,0,0,0|1,0,1]=4 71 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 8629AB [1,1,0,0,0,0|0,0,2]=4 72 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 5910AJ [1,1,0,0,0,0|1,0,1]=4 73 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 W5641 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.125 CC1=C(OCC(C)O)C=CC=C1 4280AL [1,1,0,0,0,0|1,0,1]=4 75 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 6771AC [1,1,0,0,0,0|1,0,1]=4 76 B12R1.226 CC(C)CSC1=CC(Br)=CC=C1 Z8144 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.226 CC1=CC=CC(OCC(C)O)=C1 4284AL [1,1,0,0,0,0|1,0,1]=4 78 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 X0194 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F258 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 4975AD [1,1,0,0,0,0|2,0,0]=4 81 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 W6072 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 3046AC [0,1,0,0,1,0|0,0,2]=4 83 B12R1.118 N#CC(CO)CC1=CC=CC=C1 5460AJ [0,1,0,0,1,0|1,0,1]=4 84 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 5701AL [0,1,0,0,1,0|1,0,1]=4 85 B14R1.292 C#CC(C)(C)COCC1=CC=CC=C1 3279AH [0,1,0,0,0,1|1,0,1]=4 86 B14R1.520 CCOC(C)OCCC1=CC=CC=C1 2095AB [0,1,0,0,0,1|1,0,1]=4 87 B14R1.520 C[C@H](CC#N)COCC1=CC=CC=C1 7467AJ [0,1,0,0,0,1|1,0,1]=4 88 B14R1.6449 N[C@H](CNCC1=CC=CC=C1)C(=O)O 3451AA [0,1,0,0,0,1|1,0,0]=3 89 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O Z6737 [0,1,0,0,0,1|1,0,0]=3 90 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O 9422AA [0,2,0,0,0,0|1,0,1]=4 91 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O V1131 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 1323AL [0,2,0,0,0,0|1,0,0]=3 93 B14R1.818 N[C@H](CCC1=CC=CC=C1)CC(=O)O Z5654 [0,2,0,0,0,0|1,0,0]=3 94 B14R1.425 N[C@@H](CC1=CC=CC=C1)[C@H](O)C(=O)O 9317AB [0,2,0,0,0,0|1,0,0]=3 95 B12R2.41 C1=CC=C2CNCCCC2=C1 W3871 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.1081 CC1=NCCC2=C1C=CC=C2 Z2315 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.1081 CN1CCCC2=C1C=CC=C2 6666AB [1,0,0,1,0,0|2,0,0]=4 98 B12R2.1081 NN1CCCC2=C1C=CC=C2 6035AE [1,0,0,1,0,0|2,0,0]=4 99 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 B573 [1,0,0,1,0,0|1,0,1]=4 100 B12R2.1081 O=C1CCCC2=C1C=CC=N2 Y6538 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.1081 O=C1CCCC2=C1C=NC=C2 3377AJ [1,0,0,1,0,0|1,0,0]=3 102 B12R2.1081 O=C1CCNC2=C1C=CC=C2 W8031 [1,0,0,1,0,0|1,0,0]=3 103 B12R2.1081 O=C1COCC2=C1C=CC=C2 W4380 [1,0,0,1,0,0|1,0,0]=3 104 B12R2.1081 O=C1CSCC2=C1C=CC=C2 X5478 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.1081 O=C1NCCC2=C1C=CC=C2 X9392 [1,0,0,1,0,0|1,0,0]=3 106 B12R2.1081 O=C1NCCC2=C1N=CC=C2 Y3276 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 V1329 [1,0,0,1,0,0|0,0,2]=4 108 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 7465AB [1,0,0,1,0,0|0,0,1]=3 109 B12R2.24 CC1CNC2=C(C=CC=C2)S1 6248AE [1,0,0,1,0,0|1,1,0]=4 110 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [1,0,0,1,0,0|2,0,0]=4 111 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [1,0,0,1,0,0|2,0,0]=4 112 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [1,0,0,1,0,0|1,0,1]=4 113 B12R2.24 OC1CNC2=CC=CC=C2C1 3033AH [1,0,0,1,0,0|1,0,1]=4 114 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 2275AL [1,0,0,1,0,0|1,0,1]=4 115 B12R2.18 CC1CC2=C(C=CC=C2)C1=O 9059AA [0,0,0,1,1,0|0,0,0]=2 116 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O 8216AA [0,0,0,1,1,0|1,0,1]=4 117 B14R2.101 C1=CC=C(COC2CC=CC2)C=C1 1001AL [0,1,0,1,0,0|2,0,0]=4 118 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 W5309 [0,1,0,1,0,0|1,0,0]=3 119 B14R2.598 NC1CC(=O)N(C2=CC=CC=C2)C1 9527AD [0,1,0,1,0,0|2,0,0]=4 120 B14R2.741 NC1CCC2=CC=CC=C2NC1=O W8886 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 Y9783 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 Y7110 [0,1,0,1,0,0|1,0,0]=3 123 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 Z3947 [0,1,0,1,0,0|1,0,0]=3 124 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 Y4634 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 Y7124 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 6436AD [0,1,0,1,0,0|1,0,0]=3 127 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 W8408 [0,1,0,1,0,0|1,0,0]=3 128 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 4342AH [0,1,0,1,0,0|1,0,0]=3 129 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 W8006 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.781 [C@@H]1(C(=O)O)COC2=CC=CC=C2O1 0998AC [0,1,0,1,0,0|2,0,0]=4 131 B14R2.92 O=CC1=C(Cl)C2=C(C=CC=C2)CC1 Y8729 [0,1,0,1,0,0|0,0,2]=4 132 B10R1.18 CC(=O)CC1=CC=NC=C1 4765AJ [1,0,0,0,1,0|1,0,1]=4 133 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [1,0,0,0,1,0|1,0,1]=4 134 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 4736AL [1,0,0,0,1,0|1,0,1]=4 135 B10R1.18 CC(=O)SC1=CC=CC=C1 9002AL [1,0,0,0,1,0|1,0,1]=4 136 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [1,0,0,0,1,0|1,0,0]=3 137 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [1,0,0,0,1,0|2,0,0]=4 138 B10R1.15 CC(CBr)C1=CC=CC=C1 Y3159 [0,0,0,0,2,0|1,0,1]=4 139 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [0,0,0,0,2,0|1,0,1]=4 140 B10R1.15 CN(C=O)C1=NC=CC=C1 0345AC [0,0,0,0,2,0|2,0,0]=4 141 B10R1.15 CNC(C)C1=CC=CC=C1 V5180 [0,0,0,0,2,0|2,0,0]=4 142 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [0,0,0,0,2,0|1,0,1]=4