0 B9R1.35 CC1NC(C(=O)O)CS1 2967AE [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CN1CC[C@H](C(=O)O)C1 6382AC [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 N=C(N)N1CCC(O)C1 1274AA [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 NC(=O)C1CC(F)CN1 5868AC [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 3174AC [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 4732AJ [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 1629AC [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 5891AB [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 NC1CNC(C(=O)O)C1 Y7723 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 Y6706 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Y6730 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 W4980 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 0632AA [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 O=C(O)C1CCC(O)C1 0331AA [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 Z5831 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 U345 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Y8727 [0,0,0,0,0,0|1,0,2]=3 17 B9R1.35 O=C1CC[C@H](C(=O)O)C1 V2781 [0,0,0,0,0,0|1,0,2]=3 18 B9R1.35 O=C1CNC(C(=O)O)C1 0294AB [0,0,0,0,0,0|0,0,2]=2 19 B8R1.1 OCC1CCC(O)C1 W1894 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.7 CC(=O)C1CCNC1 Y4441 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.7 CC(=O)N1CCCC1 4743AL [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 CC(C)C1CCCN1 1823AL [1,0,0,0,0,0|2,0,1]=4 23 B8R1.7 CC(C)C1CCCN1 5075AH [1,0,0,0,0,0|2,0,1]=4 24 B8R1.7 NC(=O)C1CCNC1 Z4774 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.7 NC(=O)[C@@H]1C=CCN1 5249AH [1,0,0,0,0,0|1,0,2]=4 26 B8R1.7 NC(=O)[C@@H]1CCNC1 Z9357 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 NC(=O)[C@H]1CCNC1 4853AJ [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 O=C(O)C1=COCC1 W9830 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.7 O=C(O)C1C=CCO1 1916AL [1,0,0,0,0,0|1,0,2]=4 30 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [1,0,0,0,0,0|0,0,0]=1 31 B8R1.7 O=C(O)[C@@H]1CCOC1 W7757 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.14 COC(=O)C1CCC(N)C1 5832AA [0,1,0,0,0,0|2,0,0]=3 34 B10R1.14 COC(=O)C1CCC(N)C1 7012AJ [0,1,0,0,0,0|2,0,0]=3 35 B10R1.14 COC(=O)C1CCC(O)C1 4256AJ [0,1,0,0,0,0|1,0,0]=2 36 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2033 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2034 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [0,1,0,0,0,0|1,0,2]=4 39 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 1092AL [0,1,0,0,0,0|1,0,0]=2 40 B10R1.14 NCC(=O)N1CCC(O)C1 1791AD [0,1,0,0,0,0|3,0,0]=4 41 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O Z5940 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.359 CC1(C)CNC(C(=O)O)C1 2560AJ [0,1,0,0,0,0|1,0,0]=2 43 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 V6120 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 7451AB [0,1,0,0,0,0|1,0,0]=2 45 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 X9985 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.470 CN1CCC(C)(C(=O)O)C1 2950AF [0,1,0,0,0,0|3,0,0]=4 47 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,0,1,0,0,0|2,0,1]=4 48 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,0,1,0,0,0|2,0,0]=3 49 B8R0.15 CCCC(OC)C(=O)O 5382AE [0,0,1,0,0,0|2,0,0]=3 50 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [0,0,1,0,0,0|1,0,0]=2 51 B8R0.23 C=C(C)C[C@H](N)C(=O)O 7037AH [0,0,1,0,0,0|1,0,1]=3 52 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,0,1,0,0,0|2,0,0]=3 53 B8R0.23 CC(=O)CC(C)C(=O)O 7660AE [0,0,1,0,0,0|1,0,2]=4 54 B8R0.23 C[C@H](CC(=O)O)C(=O)O 9223AJ [0,0,1,0,0,0|2,0,1]=4 55 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 6580AH [0,0,1,0,0,0|2,0,1]=4 56 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z1752 [0,0,0,1,0,0|2,0,0]=3 57 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z3471 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,0,0,0,1,0|1,0,0]=2 59 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,0,0,0,1,0|1,0,0]=2 60 B8R1.23 NC1CC(C(=O)O)C1 2935AC [0,0,0,0,1,0|1,0,0]=2 61 B8R1.23 NC1CC(C(=O)O)C1 3481AA [0,0,0,0,1,0|1,0,0]=2 62 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [0,0,0,0,1,0|1,0,0]=2 63 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [0,0,0,0,1,0|1,0,0]=2 64 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [0,0,0,0,1,0|1,0,0]=2 65 B10R1.13 O=C(O)C1CC=C(Br)CC1 V8103 [0,0,0,0,0,1|2,0,1]=4 66 B10R1.13 O=C1CCC(C(=O)O)NC1 4743AF [0,0,0,0,0,1|0,0,2]=3 67 B10R1.54 CN1CCC(CC(=O)O)C1 0543AA [0,0,0,0,0,1|3,0,0]=4 68 B10R1.54 NC1CCN(CC(=O)O)C1 4267AH [0,0,0,0,0,1|3,0,0]=4 69 B10R1.113 CC(=O)N1CCCC(O)C1 2724AE [0,0,0,0,0,1|3,0,0]=4 70 B10R1.113 CN1CCNC(C(=O)O)C1 5645AH [0,0,0,0,0,1|2,0,0]=3 71 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)[O-])C1 V0414 [0,0,0,0,0,1|1,0,1]=3 72 B10R1.113 O=C(O)C1CNCC(O)C1 3230AJ [0,0,0,0,0,1|0,0,0]=1 73 B10R1.113 O=C1CC(C(=O)O)CCN1 Z4483 [0,0,0,0,0,1|1,0,2]=4 74 B7R0.4 CC(=O)NCCCN V5818 [1,0,1,0,0,0|2,0,0]=4 75 B7R0.4 CC(=O)NCCCN V6432 [1,0,1,0,0,0|2,0,0]=4 76 B7R0.4 CC(O)CNCCO 7542AE [1,0,1,0,0,0|0,0,1]=3 77 B7R0.4 CCSCCC(=O)O 8721AE [1,0,1,0,0,0|2,0,0]=4 78 B7R0.5 C=CCC(N)C(=O)O 7090AA [1,0,1,0,0,0|0,0,2]=4 79 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [1,0,1,0,0,0|1,0,0]=3 80 B7R0.5 CCNC(C)C(N)=O 7697AD [1,0,1,0,0,0|1,0,0]=3 81 B7R0.5 CCSC(C)C(=O)O 6924AD [1,0,1,0,0,0|1,0,0]=3 82 B7R0.5 COCC(Cl)C(=O)O 2065AB [1,0,1,0,0,0|2,0,0]=4 83 B7R0.5 C[C@H](NC=O)C(=O)O 7555AH [1,0,1,0,0,0|0,0,2]=4 84 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [1,0,1,0,0,0|1,0,1]=4 85 B7R0.5 NC(CCBr)C(=O)O 1883AC [1,0,1,0,0,0|1,0,0]=3 86 B7R0.5 NCCC(N)C(=O)O W7673 [1,0,1,0,0,0|1,0,0]=3 87 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [1,0,1,0,0,0|1,0,0]=3 88 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [1,0,1,0,0,0|1,0,0]=3 89 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [1,0,1,0,0,0|1,0,1]=4 90 B7R0.15 CCC(OC)C(=O)O 8292AB [1,0,1,0,0,0|1,0,0]=3 91 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [1,0,1,0,0,0|0,0,0]=2 92 B7R1.1 BrCC1CCCN1 6324AA [2,0,0,0,0,0|1,0,1]=4 93 B7R1.1 C=CC1CCCC1 9406AL [2,0,0,0,0,0|2,0,0]=4 94 B7R1.1 CCC1CCCN1 7143AC [2,0,0,0,0,0|1,0,1]=4 95 B7R1.1 ClC[C@@H]1CCCN1 9398AA [2,0,0,0,0,0|1,0,1]=4 96 B7R1.1 FC[C@@H]1CCCN1 1290AF [2,0,0,0,0,0|1,0,1]=4 97 B7R1.1 N#C[C@H]1CCCN1 0400AC [2,0,0,0,0,0|1,0,1]=4 98 B7R1.1 NC[C@@H]1CCCN1 O008 [2,0,0,0,0,0|1,0,1]=4 99 B7R1.1 NC[C@H]1CCCN1 1217AC [2,0,0,0,0,0|1,0,1]=4 100 B7R1.1 O=CN1CCCC1 0706AQ [2,0,0,0,0,0|2,0,0]=4 101 B7R1.2 CC1CNC(=O)C1 X7991 [2,0,0,0,0,0|1,0,1]=4 102 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [2,0,0,0,0,0|0,0,1]=3 103 B7R1.2 NC1CCC(O)C1 6561AA [2,0,0,0,0,0|2,0,0]=4 104 B7R1.2 NC1CNC(=O)C1 9509AL [2,0,0,0,0,0|1,0,1]=4 105 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [2,0,0,0,0,0|2,0,0]=4 106 B7R1.2 O[C@@H]1C=C[C@H](O)C1 3216AL [2,0,0,0,0,0|1,0,1]=4 107 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 4199AL [0,1,1,0,0,0|1,0,1]=4 108 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 4125AL [0,1,1,0,0,0|1,0,1]=4 109 B9R0.13 CCCC[C@H](NC)C(=O)O 7564AH [0,1,1,0,0,0|2,0,0]=4 110 B9R0.42 CCC(=O)NC(C)C(=O)O 5709AE [0,1,1,0,0,0|1,0,1]=4 111 B9R0.23 CCC(C)C(N)CC(=O)O 2728AE [0,1,1,0,0,0|2,0,0]=4 112 B9R0.39 CNC(CC(=O)O)C(=O)O V5028 [0,1,1,0,0,0|0,0,1]=3 113 B9R0.74 CCCC(C)(CC)C(=O)O 2073AL [0,1,1,0,0,0|2,0,0]=4 114 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O 0594AP [0,1,1,0,0,0|1,0,0]=3 115 B9R0.57 CC(C)(C)CC(N)C(=O)O X5326 [0,1,1,0,0,0|1,0,0]=3 116 B9R0.57 NC(CC(F)(F)F)C(=O)O 2294AB [0,1,1,0,0,0|2,0,0]=4 117 B9R0.57 NC(CC(F)(F)F)C(=O)O 5061AD [0,1,1,0,0,0|2,0,0]=4 118 B9R0.79 CC(C(=O)O)C(N)C(=O)O 0243AC [0,1,1,0,0,0|1,0,1]=4 119 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Z3806 [0,1,1,0,0,0|1,0,0]=3 120 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5270AC [0,1,1,0,0,0|2,0,0]=4 121 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5354AA [0,1,1,0,0,0|2,0,0]=4 122 B9R1.132 OC[C@H]1NC[C@@H](O)[C@H]1O 7305AC [1,1,0,0,0,0|0,0,1]=3 123 B9R1.132 OC[C@H]1NC[C@H](O)[C@@H]1O 0011AD [1,1,0,0,0,0|0,0,1]=3 124 B9R1.132 OC[C@H]1OC[C@H](O)[C@H]1O 4596AL [1,1,0,0,0,0|1,0,1]=4 125 B9R1.11 CNC(=O)C1CCCC1 3843AE [1,1,0,0,0,0|2,0,0]=4 126 B9R1.11 CNC(=O)C1CCCN1 Y7477 [1,1,0,0,0,0|1,0,0]=3 127 B9R1.11 CNC(=O)[C@@H]1CCCN1 8574AH [1,1,0,0,0,0|1,0,0]=3 128 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [1,1,0,0,0,0|2,0,0]=4 129 B9R1.11 NNC(=O)C1CCCC1 0862AE [1,1,0,0,0,0|2,0,0]=4 130 B9R1.41 CN1CSCC1C(=O)O 6486AE [1,1,0,0,0,0|1,0,0]=3 131 B9R1.41 NC(=O)C1CCCC1=O 6858AE [1,1,0,0,0,0|2,0,0]=4 132 B9R1.41 O=C(O)C1CSCC1=O 3411AD [1,1,0,0,0,0|2,0,0]=4 133 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8555AH [1,1,0,0,0,0|0,0,0]=2 134 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8692AH [1,1,0,0,0,0|0,0,0]=2 135 B9R1.163 CC1(C(=O)O)CCCN1 6631AH [1,1,0,0,0,0|0,0,0]=2 136 B9R1.163 NC(=O)C1(N)CCCC1 W3743 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.163 NC1(C(=O)O)CCNC1 Z2697 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.163 NC1(C(=O)O)CCSC1 2158AJ [1,1,0,0,0,0|2,0,0]=4 139 B9R1.163 O=C(O)C1(O)CCCC1 Z4267 [1,1,0,0,0,0|1,0,0]=3 140 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 9615AF [0,1,0,0,1,0|0,0,0]=2 141 B9R1.95 COC1CC(C(=O)O)C1 6586AB [0,1,0,0,1,0|0,0,0]=2 142 B9R1.164 O=C(O)C1CS(=O)(=O)C1 X3407 [0,1,0,0,1,0|1,0,1]=4 143 B11R1.3 O=C(O)C1CCC(CO)CC1 6125AA [0,1,0,0,0,1|1,0,0]=3 144 B11R1.22 COC(=O)C1CCC(C)NC1 7129AJ [0,1,0,0,0,1|2,0,0]=4 145 B11R1.22 COC(=O)C1CCC(N)CC1 4270AJ [0,1,0,0,0,1|2,0,0]=4 146 B11R1.22 COC(=O)N1CCC(O)CC1 9217AE [0,1,0,0,0,1|2,0,0]=4 147 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 3276AA [0,1,0,0,0,1|0,0,2]=4 148 B11R1.727 CC1(C)CNC(C(=O)O)CO1 3365AJ [0,1,0,0,0,1|1,0,0]=3 149 B11R1.645 O=C(O)CN1C[C@@H](O)CC1=O 1306AL [0,1,0,0,0,1|2,0,0]=4 150 B11R1.23 COC(=O)C1CC(O)CCN1 3968AB [0,1,0,0,0,1|0,0,0]=2 151 B11R1.23 COC(=O)C1CCCC(N)C1 1052AC [0,1,0,0,0,1|2,0,0]=4 152 B11R1.23 COC(=O)C1CNCC(O)C1 1863AA [0,1,0,0,0,1|0,0,0]=2 153 B11R1.23 COC(=O)C1CNCC(O)C1 7120AJ [0,1,0,0,0,1|0,0,0]=2 154 B11R1.667 CC1CCCC(N)(C(=O)O)C1 8109AB [0,1,0,0,0,1|2,0,0]=4 155 B11R1.225 COC(=O)C1CC(C)CC1=O 6163AB [0,2,0,0,0,0|2,0,0]=4 156 B11R1.865 [C@H]1([C@H](O)CO)NC[C@@H](O)[C@H]1O 7622AJ [0,2,0,0,0,0|0,0,2]=4 157 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 1326AB [0,2,0,0,0,0|2,0,0]=4 158 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,0,1,1,0,0|2,0,0]=4 159 B9R1.6 CC(=O)C1CCCCN1 Y5161 [0,0,1,1,0,0|2,0,0]=4 160 B9R1.6 NC(=O)C1CCCOC1 6295AD [0,0,1,1,0,0|2,0,0]=4 161 B9R1.6 NC(=O)C1CSCCN1 0892AA [0,0,1,1,0,0|1,1,0]=4 162 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,0,1,1,0,0|1,0,1]=4 163 B9R1.6 O=C(O)C1CCCNC1 8993AB [0,0,1,1,0,0|2,0,0]=4 164 B9R1.6 O=C(O)C1CCSCN1 6491AE [0,0,1,1,0,0|2,0,0]=4 165 B9R1.6 O=C(O)C1CNCCO1 W9016 [0,0,1,1,0,0|2,0,0]=4 166 B9R1.6 O=C(O)C1COCCN1 W7764 [0,0,1,1,0,0|0,0,0]=2 167 B9R1.6 O=C(O)[C@@H]1COCCN1 X8814 [0,0,1,1,0,0|0,0,0]=2 168 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [0,0,1,1,0,0|0,1,0]=3 169 B9R1.179 NCCC1(C(=O)O)CC1 Y7344 [0,0,1,1,0,0|2,0,0]=4 170 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 W8358 [1,0,0,1,0,0|0,0,0]=2 171 B9R2.7 [C@H]12CCC[C@H]1NC2=O 6574AJ [1,0,0,1,0,0|2,0,0]=4 172 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,0,1,0,1,0|2,0,0]=4 173 B7R1.10 N#CC1CC(O)C1 0378AB [1,0,0,0,1,0|1,0,1]=4 174 B7R1.10 NC[C@H]1C[C@H](O)C1 2731AD [1,0,0,0,1,0|1,0,1]=4 175 B7R1.10 N[C@H]1C[C@@H](CO)C1 6981AA [1,0,0,0,1,0|1,0,1]=4 176 B7R1.18 N=C(N)C1CCC1 9638AJ [1,0,0,0,1,0|2,0,0]=4 177 B7R1.18 NC(=O)C1CCN1 Z9521 [1,0,0,0,1,0|1,0,0]=3 178 B7R1.18 NC(=O)C1CNC1 1496AC [1,0,0,0,1,0|2,0,0]=4 179 B7R1.18 NC(=O)C1CNC1 Z4019 [1,0,0,0,1,0|2,0,0]=4 180 B7R1.18 O=C(O)C1CCN1 0741AC [1,0,0,0,1,0|0,0,0]=2 181 B7R1.18 O=C(O)C1CCO1 3540AC [1,0,0,0,1,0|1,0,0]=3 182 B9R1.13 O=C(O)C=C1CCCC1 9908AA [1,0,0,0,0,1|1,0,1]=4 183 B9R1.13 O=C(O)CC1CCCN1 8327AB [1,0,0,0,0,1|0,0,0]=2 184 B11R1.20 NC1CCC(CC(=O)O)CC1 3411AA [0,0,0,0,0,2|2,0,0]=4