0 B8R0.6 C=CC(=O)NCCCC 2114AB [0,0,0,0,0,0|2,0,2]=4 1 B8R0.6 C=CCCCC(=O)OC 6778AL [0,0,0,0,0,0|0,0,4]=4 2 B8R0.6 CCCCNC(=O)CCl W6790 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.6 CCCCNC(=O)CN 7049AD [0,0,0,0,0,0|3,0,1]=4 4 B8R0.6 CCCCOC(=O)CF 1832AE [0,0,0,0,0,0|3,0,1]=4 5 B8R0.6 CCCCOC(=O)CN 3583AD [0,0,0,0,0,0|3,0,1]=4 6 B8R0.6 CCNCCC(=O)OC 6995AJ [0,0,0,0,0,0|1,0,2]=3 7 B8R0.6 COC(=O)CCCCN 9801AB [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 CCCC\C=C\CO 9204AL [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CC\C=C\CCCC 9221AL [1,0,0,0,0,0|1,0,1]=3 10 B7R0.1 C\C=C/CCCCC 7427AL [1,0,0,0,0,0|1,0,2]=4 11 B7R0.1 C\C=C\CCCCC 7960AF [1,0,0,0,0,0|1,0,2]=4 12 B7R0.3 C=C(CC)CCCC 5608AL [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 C=CC(=O)NCCC 3769AL [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 C=CCCC(=O)OC 0026AQ [1,0,0,0,0,0|0,0,3]=4 15 B7R0.3 CCC(=O)NCCN 3366AF [1,0,0,0,0,0|3,0,0]=4 16 B7R0.3 CCC(=O)NCCO 8325AL [1,0,0,0,0,0|3,0,0]=4 17 B7R0.3 CCC\C=C(/C)CC 6104AL [1,0,0,0,0,0|2,0,0]=3 18 B7R0.3 CCNCC(=O)OC 2143AA [1,0,0,0,0,0|1,0,1]=3 19 B7R0.3 CCNCC(=O)OC 2988AC [1,0,0,0,0,0|1,0,1]=3 20 B7R0.3 CNC(=O)CCCN 5583AD [1,0,0,0,0,0|2,0,1]=4 21 B7R0.3 CNCCC(=O)NC 4515AE [1,0,0,0,0,0|2,0,1]=4 22 B7R0.3 CNCCC(=O)NC 5845AE [1,0,0,0,0,0|2,0,1]=4 23 B7R0.3 CNCCC(=O)OC 1857AB [1,0,0,0,0,0|1,0,1]=3 24 B7R0.3 CNCCC(=O)OC X3419 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.3 COC(=N)CCCCl 2164AC [1,0,0,0,0,0|2,0,1]=4 26 B7R0.3 COC(=O)C#CCO 3414AB [1,0,0,0,0,0|1,0,2]=4 27 B7R0.3 COC(=O)CCC=O W3030 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.3 COC(=O)CCCS X9990 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.3 CO\C=C\C(=O)OC W5649 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,0,0,0,0,0|0,0,2]=3 31 B7R0.4 C=C(C)CCCCC 5698AL [1,0,0,0,0,0|1,0,2]=4 32 B7R0.4 CC(=O)NCCCN V5818 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.4 CC(=O)NCCCN V6432 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 CC(=O)NCCCO 8280AC [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CC(C)=C=CCCO 0509AQ [1,0,0,0,0,0|2,0,1]=4 36 B7R0.4 CCCCNC(C)=O 7541AF [1,0,0,0,0,0|1,0,1]=3 37 B7R0.4 CCOCCC(C)=O 6489AL [1,0,0,0,0,0|1,0,2]=4 38 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 CCSCCC(=O)O 8721AE [1,0,0,0,0,0|1,0,2]=4 40 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [1,0,0,0,0,0|1,0,2]=4 41 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,1,0,0,0,0|0,0,0]=1 42 B9R0.5 CCCCNC(=O)CCN 2211AD [0,1,0,0,0,0|2,0,1]=4 43 B9R0.5 CCCCNC(=O)CNC 8713AD [0,1,0,0,0,0|2,0,1]=4 44 B9R0.5 CCCNCC(=O)OCC 0138AP [0,1,0,0,0,0|1,0,1]=3 45 B9R0.5 CCOC(=O)CNCCN V4614 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.46 C=CCCCCC(=O)OC 0116AQ [0,1,0,0,0,0|0,0,3]=4 47 B9R0.46 CCCNCCC(=O)NC 7922AC [0,1,0,0,0,0|1,0,2]=4 48 B9R0.46 CCCNCCC(=O)OC 4406AE [0,1,0,0,0,0|0,0,2]=3 49 B9R0.47 CCCCNC(=O)C(C)N 7164AE [0,1,0,0,0,0|2,0,1]=4 50 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,0,0,1,0,0|1,0,2]=4 51 B9R1.2 COC1=CCCN(C)C1 6375AJ [0,0,0,1,0,0|2,0,1]=4 52 B9R1.5 CN1CCCNCC1=O 8136AE [0,0,0,1,0,0|2,0,1]=4 53 B9R1.7 CCCC1=NOC(N)=C1 Z2752 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.7 COC[C@@H]1COC(=O)O1 4142AL [0,0,0,1,0,0|2,0,1]=4 55 B9R1.7 COC[C@H]1COC(=O)O1 4184AL [0,0,0,1,0,0|2,0,1]=4 56 B9R1.11 CNC(=O)C1CCCC1 3843AE [0,0,0,1,0,0|1,0,2]=4 57 B9R1.11 CNC(=O)C1CCCN1 Y7477 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.11 CNC(=O)[C@@H]1CCCN1 8574AH [0,0,0,1,0,0|2,0,1]=4 59 B9R1.11 COC(=O)C1=CNN=C1 9533AA [0,0,0,1,0,0|2,0,1]=4 60 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [0,0,0,1,0,0|1,0,2]=4 61 B9R1.79 COC(=O)C=C1COC1 1968AA [0,0,0,1,0,0|1,0,0]=2 62 B9R1.79 COC(=O)CC1CNC1 4710AC [0,0,0,1,0,0|1,0,2]=4 63 B6R0.6 CC=C=CCCO 1076AQ [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 CCC\C=C/CO 7423AL [2,0,0,0,0,0|0,0,1]=3 65 B6R0.6 CC\C=C\CCC 9219AL [2,0,0,0,0,0|0,0,1]=3 66 B6R0.6 C\C=C/CCCC 7422AL [2,0,0,0,0,0|0,0,1]=3 67 B6R0.6 C\C=C/CCCCl 7455AL [2,0,0,0,0,0|1,0,1]=4 68 B6R0.6 C\C=C\CCCC 7780AF [2,0,0,0,0,0|0,0,1]=3 69 B6R0.6 C\C=C\SCCC U946 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.1 C#CCC(=O)OC 3698AB [2,0,0,0,0,0|0,0,2]=4 71 B6R0.1 CC#CC(=O)OC X7106 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.1 CCC(=O)CSC K829 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.1 CCCC(=O)SC 8847AJ [2,0,0,0,0,0|0,1,0]=3 74 B6R0.1 CCSC(=O)CC 8960AL [2,0,0,0,0,0|2,0,0]=4 75 B6R0.1 CNC(=O)CCCl 2983AE [2,0,0,0,0,0|2,0,0]=4 76 B6R0.1 CNC(=O)CCO 8079AE [2,0,0,0,0,0|2,0,0]=4 77 B6R0.1 CNCC(=O)NC V5990 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.1 COC(=O)CCN 5700AB [2,0,0,0,0,0|1,0,0]=3 79 B6R0.1 COC(=O)\C=C/Br 6846AE [2,0,0,0,0,0|1,0,0]=3 80 B6R0.1 COC(=O)\C=C/I 6847AE [2,0,0,0,0,0|1,0,0]=3 81 B6R0.1 COC(=O)\C=C\N 1217AQ [2,0,0,0,0,0|1,0,0]=3 82 B6R0.4 C=C(C)CCCC 5699AL [2,0,0,0,0,0|1,0,1]=4 83 B6R0.4 CC(=O)CCCBr W5938 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.4 CC(=O)NCCCl W8163 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.4 CC(=O)OCCCl 7237AF [2,0,0,0,0,0|2,0,0]=4 86 B6R0.4 CC(=O)SCCN 5884AD [2,0,0,0,0,0|2,0,0]=4 87 B6R0.4 CCCC=C(C)C 5704AL [2,0,0,0,0,0|1,0,0]=3 88 B6R0.4 CCCCC(=O)Br 7391AF [2,0,0,0,0,0|1,0,1]=4 89 B6R0.4 CC\C=C\C(=O)O 6805AA [2,0,0,0,0,0|0,0,0]=2 90 B8R0.1 C\C=C\C(=O)CCCC 5771AL [1,1,0,0,0,0|1,0,1]=4 91 B8R0.4 CCC\C=C/CCCC 7450AL [1,1,0,0,0,0|1,0,1]=4 92 B8R0.3 CCCC(N)C(=O)NC 1487AF [1,1,0,0,0,0|1,0,1]=4 93 B8R0.3 CNCC(C)C(=O)OC Z2743 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.3 COCC(Br)C(=O)OC V4873 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.8 CCCCC(=O)C(C)=O 5249AL [1,1,0,0,0,0|1,0,1]=4 96 B8R0.8 CCCCC(=O)C(C)C 5543AA [1,1,0,0,0,0|1,0,1]=4 97 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [1,1,0,0,0,0|2,0,0]=4 98 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,1,0,0,0,0|1,0,1]=4 99 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [1,1,0,0,0,0|0,0,1]=3 100 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [1,1,0,0,0,0|1,0,1]=4 101 B8R0.19 COC(=O)\C=C(/C)OC 3885AE [1,1,0,0,0,0|1,0,0]=3 102 B8R0.28 CC(C)C\C=C\B(O)O X0620 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [1,1,0,0,0,0|1,0,1]=4 104 B8R0.28 CN(C)C\C=C\C(=O)O 1119AQ [1,1,0,0,0,0|1,0,0]=3 105 B10R0.44 COC(=O)CC(=O)CC(C)=O 3050AB [0,2,0,0,0,0|0,0,2]=4 106 B10R0.59 CCC(C)NCCC(=O)OC 7317AD [0,2,0,0,0,0|0,0,2]=4 107 B10R0.1 CCCNCCC(=O)OCC 0093AE [0,2,0,0,0,0|0,0,2]=4 108 B10R0.1 CCOC(=O)\C=C\CCCCl 3021AL [0,2,0,0,0,0|0,0,0]=2 109 B10R0.83 COC(=O)[C@H](N)CCCCN 9780AA [0,2,0,0,0,0|0,0,2]=4 110 B10R0.108 CCOC(=O)CNC(=O)OC 8188AB [0,2,0,0,0,0|1,0,1]=4 111 B10R0.85 CCO\C=C(/C#N)C(=O)OC 9253AD [0,2,0,0,0,0|1,0,0]=3 112 B10R0.45 CCC(C=O)CCC(=O)OC 2820AJ [0,2,0,0,0,0|0,0,2]=4 113 B10R0.74 CCC\C=C\COC(=O)CC 8877AL [0,2,0,0,0,0|1,0,0]=3 114 B10R0.74 COC(=O)CCNCCCO 8073AC [0,2,0,0,0,0|0,0,2]=4 115 B10R0.74 COCCNCCC(=O)OC 5596AE [0,2,0,0,0,0|0,0,2]=4 116 B8R1.2 COC1=CCOCC1 Y5304 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.8 CCCC1=CC=CO1 Z5525 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.8 CCCC1=CSC=C1 Z5466 [1,0,0,1,0,0|0,1,1]=4 119 B8R1.8 CNCC1=NOC=C1 4335AJ [1,0,0,1,0,0|2,0,0]=4 120 B8R1.8 CNCC1=NOC=C1 7285AH [1,0,0,1,0,0|2,0,0]=4 121 B8R1.49 C1=CCCCCC=C1 1372AQ [1,0,0,1,0,0|1,0,0]=3 122 B8R1.49 C1=CCCCCC=C1 7920AF [1,0,0,1,0,0|1,0,0]=3 123 B8R1.1 CCC1=NOC(N)=C1 2151AC [1,0,0,1,0,0|2,0,0]=4 124 B8R1.1 CCC1COC(=O)N1 5157AD [1,0,0,1,0,0|1,0,0]=3 125 B8R1.3 CC1CCC(=O)NC1 3753AB [1,0,0,1,0,0|1,0,1]=4 126 B8R1.38 CNC(=O)C1CCC1 4798AA [1,0,0,1,0,0|1,0,1]=4 127 B8R1.38 COC(=O)C1CCN1 6194AA [1,0,0,1,0,0|1,0,1]=4 128 B8R1.38 COC(=O)[C@@H]1CCN1 W7941 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.50 CC1CCC(=O)N1C 0337AQ [1,0,0,1,0,0|1,0,1]=4 130 B8R1.7 CC(=O)N1CCCC1 4743AL [1,0,0,1,0,0|1,0,1]=4 131 B8R1.7 O=C(O)C1=COCC1 W9830 [1,0,0,1,0,0|1,0,0]=3 132 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [1,0,0,1,0,0|1,0,1]=4 133 B8R1.34 O=C(O)C=C1CCC1 1680AJ [1,0,0,1,0,0|0,0,0]=2 134 B8R1.35 O=C(O)C#CC1CC1 0479AQ [1,0,0,1,0,0|0,0,2]=4 135 B8R1.35 OB(O)\C=C\C1CC1 V8900 [1,0,0,1,0,0|1,0,1]=4 136 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 3942AL [0,1,0,1,0,0|2,0,0]=4 137 B10R1.14 COC(=O)C1=NN(C)N=C1 1175AA [0,1,0,1,0,0|2,0,0]=4 138 B10R1.14 COC(=O)C1CCC(N)C1 5832AA [0,1,0,1,0,0|0,0,2]=4 139 B10R1.14 COC(=O)C1CCC(N)C1 7012AJ [0,1,0,1,0,0|0,0,2]=4 140 B10R1.14 COC(=O)C1CCC(O)C1 4256AJ [0,1,0,1,0,0|0,0,2]=4 141 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2033 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2034 [0,1,0,1,0,0|0,0,2]=4 143 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 1092AL [0,1,0,1,0,0|1,0,1]=4 144 B10R1.25 CCC1CNC(=O)CC1=O W8151 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.138 CCOC(=O)C=CC1CC1 1199AQ [0,1,0,1,0,0|0,0,0]=2 146 B10R1.15 COC(=O)C1=CCCCO1 5478AA [0,1,0,1,0,0|0,0,0]=2 147 B10R1.15 COC(=O)C1=CCOCC1 1300AA [0,1,0,1,0,0|0,0,0]=2 148 B10R1.15 COC(=O)C1CC=CCC1 9933AB [0,1,0,1,0,0|0,0,2]=4 149 B10R1.15 COC(=O)C1CCSCC1 Y7361 [0,1,0,1,0,0|0,0,2]=4 150 B10R1.15 COC(=O)C1CNCCN1 W5066 [0,1,0,1,0,0|1,0,1]=4 151 B10R1.15 COC(=O)C1CNCCO1 X9978 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.15 COC(=O)C1CNCCO1 Y1211 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.15 COC(=O)N1C=CC=CC1 3960AB [0,1,0,1,0,0|0,0,2]=4 154 B10R1.15 COC(=O)N1CCOCC1 7135AJ [0,1,0,1,0,0|1,0,1]=4 155 B10R1.15 COC(=O)[C@@H]1CCCCN1 5103AC [0,1,0,1,0,0|0,0,2]=4 156 B10R1.15 COC(=O)[C@@H]1COCCN1 0961AA [0,1,0,1,0,0|1,0,1]=4 157 B10R1.15 COC(=O)[C@H]1COCCN1 3137AA [0,1,0,1,0,0|1,0,1]=4 158 B10R1.411 COC(=O)C1(C)CCCC1 4021AE [0,1,0,1,0,0|0,0,2]=4 159 B10R1.411 COC(=O)C1(C)CCCN1 4594AE [0,1,0,1,0,0|1,0,1]=4 160 B10R1.151 COC(=O)CCN1CCC1 4362AE [0,1,0,1,0,0|0,0,2]=4 161 B10R1.27 COC(=O)CC1CCCC1 2548AB [0,1,0,1,0,0|0,0,2]=4 162 B10R1.27 COC(=O)C[C@@H]1CCCN1 W6819 [0,1,0,1,0,0|0,0,2]=4 163 B10R1.27 COC(=O)C[C@H]1CCCN1 5980AA [0,1,0,1,0,0|0,0,2]=4 164 B10R1.149 COC(=O)C1=C(C)N=CO1 1472AB [0,1,0,1,0,0|1,0,1]=4 165 B10R1.149 COC(=O)C1=C(C)ON=C1 0060AA [0,1,0,1,0,0|1,0,1]=4 166 B10R1.149 COC(=O)C1=C(C)SC=N1 V7296 [0,1,0,1,0,0|1,0,1]=4 167 B10R1.149 COC(=O)C1=NC=NN1C 5828AE [0,1,0,1,0,0|2,0,0]=4 168 B10R1.149 COC(=O)C1CCNC1=O Z4428 [0,1,0,1,0,0|1,0,1]=4 169 B10R1.149 COC(=O)C1CCOC1=O 0056AB [0,1,0,1,0,0|1,0,1]=4 170 B10R1.149 COC(=O)[C@@H]1CCCN1C 0671AP [0,1,0,1,0,0|0,0,2]=4 171 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 7134AJ [0,1,0,1,0,0|0,0,2]=4 172 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 1439AA [0,1,0,1,0,0|0,0,2]=4 173 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O 1084AL [0,1,0,1,0,0|1,0,1]=4 174 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,0,0,2,0,0|0,0,2]=4 175 B10R2.14 NC1=CC(C2CC2)=NO1 7173AD [0,0,0,2,0,0|2,0,0]=4