0 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,0,0,0,0,0|1,0,1]=2 1 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,0,0,0,0,0|2,0,1]=3 2 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,0,0,0,0,0|2,0,0]=2 3 B8R1.50 CN1CCC(Br)C1=O 0624AE [0,0,0,0,0,0|2,0,1]=3 4 B8R1.50 O=C1CCC(=O)C1Br 4248AD [0,0,0,0,0,0|2,0,2]=4 5 B8R1.50 O=C1OCC(Cl)=C1Cl 0792AQ [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 CC1CCC(C)O1 Z5431 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.2 CC1CNC(=O)C1 X7991 [1,0,0,0,0,0|1,0,1]=3 8 B7R1.2 CC1CNC(=O)O1 8398AC [1,0,0,0,0,0|2,0,0]=3 9 B7R1.2 CC1CNC(=S)N1 7200AD [1,0,0,0,0,0|2,1,0]=4 10 B7R1.2 NC1=CC(=O)CC1 2359AL [1,0,0,0,0,0|1,0,1]=3 11 B7R1.2 NC1CNC(=O)C1 9509AL [1,0,0,0,0,0|2,0,1]=4 12 B7R1.2 O=C1C=C(O)CC1 6113AE [1,0,0,0,0,0|1,0,1]=3 13 B7R1.2 O=C1CCC(I)C1 3588AC [1,0,0,0,0,0|1,0,1]=3 14 B7R1.2 O=C1CCC(O)N1 W1140 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.2 O=C1CNC(S)S1 5679AL [1,0,0,0,0,0|3,0,0]=4 16 B7R1.4 CC1=CCOC1=O 7576AD [1,0,0,0,0,0|1,0,2]=4 17 B7R1.4 CC1C=NNC1=O 1336AQ [1,0,0,0,0,0|2,0,1]=4 18 B7R1.4 CN1SC=CC1=O P432 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.4 NN1CCCC1=O 0452AB [1,0,0,0,0,0|2,0,0]=3 20 B7R1.4 N[C@H]1CCNC1=O 8251AB [1,0,0,0,0,0|2,0,0]=3 21 B7R1.4 O=C1CCC=C1Br 8037AC [1,0,0,0,0,0|1,0,1]=3 22 B7R1.4 O=C1CCCC1Cl W7923 [1,0,0,0,0,0|1,0,1]=3 23 B7R1.4 O=C1NCC[C@H]1O W8410 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.27 CC1=C(C=O)C(=O)NN1 4063AE [0,1,0,0,0,0|2,0,1]=4 25 B9R1.37 CC1=C(O)C(=O)CC1=O 1140AQ [0,1,0,0,0,0|0,0,3]=4 26 B9R1.37 CN1C(=O)NC(=O)C1=O 1706AE [0,1,0,0,0,0|2,0,1]=4 27 B9R1.132 CN1CCC(CO)C1=O X3498 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.3 C=C(CC)CCCC 5608AL [0,0,1,0,0,0|2,0,1]=4 29 B7R0.3 C=CC(=O)NCCC 3769AL [0,0,1,0,0,0|2,0,0]=3 30 B7R0.3 C=CC(=O)NCCN 1689AB [0,0,1,0,0,0|3,0,0]=4 31 B7R0.3 CCNCC(=O)OC 2143AA [0,0,1,0,0,0|3,0,0]=4 32 B7R0.3 CCNCC(=O)OC 2988AC [0,0,1,0,0,0|3,0,0]=4 33 B7R0.3 CCOCC(=O)NN 2388AE [0,0,1,0,0,0|3,0,0]=4 34 B7R0.3 CNC(=O)CCCN 5583AD [0,0,1,0,0,0|3,0,0]=4 35 B7R0.3 CNCCC(=O)NC 4515AE [0,0,1,0,0,0|3,0,0]=4 36 B7R0.3 CNCCC(=O)NC 5845AE [0,0,1,0,0,0|3,0,0]=4 37 B7R0.3 CNCCC(=O)OC 1857AB [0,0,1,0,0,0|3,0,0]=4 38 B7R0.3 CNCCC(=O)OC X3419 [0,0,1,0,0,0|3,0,0]=4 39 B7R0.3 COC(=O)CCCS X9990 [0,0,1,0,0,0|3,0,0]=4 40 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,0,1,0,0,0|3,0,0]=4 41 B7R0.10 C=CC(C)C(C)CC 5904AL [0,0,1,0,0,0|2,0,1]=4 42 B7R0.10 CCC(=O)C(=O)OC W5987 [0,0,1,0,0,0|1,0,0]=2 43 B7R0.10 CCC(=O)C(O)CC 8871AL [0,0,1,0,0,0|0,0,2]=3 44 B7R0.10 CCN(C)C(=O)CCl 8970AD [0,0,1,0,0,0|2,0,1]=4 45 B7R0.10 CNC(=O)C(C)NC 7051AE [0,0,1,0,0,0|3,0,0]=4 46 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,0,1,0,0,0|3,0,0]=4 47 B7R0.10 COC(C)C(=O)NN 2016AF [0,0,1,0,0,0|3,0,0]=4 48 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,0,1,0,0,0|2,0,1]=4 49 B7R0.16 C=C(C)C(=O)N(C)C 8445AL [0,0,1,0,0,0|2,0,0]=3 50 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,0,1,0,0,0|1,0,0]=2 51 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,0,1,0,0,0|2,0,1]=4 52 B7R0.16 CC(Cl)C(=O)N(C)C 7847AC [0,0,1,0,0,0|2,0,1]=4 53 B9R1.3 CC1NCCN(C)C1=O 9620AH [0,0,0,0,0,1|2,0,0]=3 54 B9R1.3 CC1NCCN(C)C1=O 9621AH [0,0,0,0,0,1|2,0,0]=3 55 B9R1.3 CN1CCCC(N)C1=O 2119AJ [0,0,0,0,0,1|2,0,1]=4 56 B9R1.3 CN1CCC[C@H](N)C1=O 6486AC [0,0,0,0,0,1|2,0,1]=4 57 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,0,0,0,0,1|2,0,1]=4 58 B9R1.69 CC1CCC(=O)NC1=O 3017AB [0,0,0,0,0,1|0,0,0]=1 59 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,0,0,0,0,1|1,0,1]=3 60 B9R1.69 CC1CNC(=O)N(C)C1 3005AD [0,0,0,0,0,1|3,0,0]=4 61 B9R1.69 CN1CC(N)CCC1=O 2690AD [0,0,0,0,0,1|3,0,0]=4 62 B9R1.69 CN1CCC(N)CC1=O 6570AA [0,0,0,0,0,1|2,0,1]=4 63 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 1466AA [0,0,0,0,0,1|3,0,0]=4 64 B9R1.69 N[C@H]1CCC(=O)NC1=O 9164AH [0,0,0,0,0,1|1,0,0]=2 65 B6R0.1 C=CC(C)CCC 6092AL [1,0,1,0,0,0|1,0,1]=4 66 B6R0.1 CCC(=O)CSC K829 [1,0,1,0,0,0|1,0,1]=4 67 B6R0.1 CCCC(=O)SC 8847AJ [1,0,1,0,0,0|1,0,1]=4 68 B6R0.1 CCNC(=O)CBr 5060AE [1,0,1,0,0,0|2,0,0]=4 69 B6R0.1 CCNC(=O)CN 8793AD [1,0,1,0,0,0|2,0,0]=4 70 B6R0.1 CCOC(=N)CC 8352AC [1,0,1,0,0,0|2,0,0]=4 71 B6R0.1 CCSC(=O)CC 8960AL [1,0,1,0,0,0|1,0,0]=3 72 B6R0.4 C=C(C)CCCC 5699AL [1,0,1,0,0,0|1,0,0]=3 73 B6R0.4 C=CCCC(=C)C 5696AL [1,0,1,0,0,0|1,0,1]=4 74 B6R0.4 C=CCCC(C)C 6791AL [1,0,1,0,0,0|1,0,1]=4 75 B6R0.4 CC(=O)CCCBr W5938 [1,0,1,0,0,0|1,0,1]=4 76 B6R0.4 CCCCC(=O)Br 7391AF [1,0,1,0,0,0|1,0,0]=3 77 B6R0.4 CSCCC(=O)Cl 6126AL [1,0,1,0,0,0|2,0,0]=4 78 B6R0.6 C\C=C/CCCC 7422AL [1,0,1,0,0,0|1,0,0]=3 79 B6R0.6 C\C=C/CCCCl 7455AL [1,0,1,0,0,0|2,0,0]=4 80 B6R0.6 C\C=C\CCCC 7780AF [1,0,1,0,0,0|1,0,0]=3 81 B6R0.6 C\C=C\SCCC U946 [1,0,1,0,0,0|2,0,0]=4 82 B6R0.3 CC(CS)C(=O)O Y3236 [1,0,1,0,0,0|1,0,1]=4 83 B6R0.3 CCC(=O)C(C)Br 5539AL [1,0,1,0,0,0|1,0,1]=4 84 B6R0.3 CCC(=O)C(C)S 5675AL [1,0,1,0,0,0|0,1,1]=4 85 B6R0.3 CCC(Br)C(N)=O 5224AE [1,0,1,0,0,0|2,0,0]=4 86 B6R0.3 CCC(C)C(C)=O U423 [1,0,1,0,0,0|0,0,1]=3 87 B6R0.3 CCC(O)C(=O)[O-] 8154AL [1,0,1,0,0,0|1,0,1]=4 88 B6R0.3 CCC(S)C(C)=O 9471AJ [1,0,1,0,0,0|0,1,1]=4 89 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [1,0,1,0,0,0|0,0,1]=3 90 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,0,1,0,0,0|1,0,0]=3 91 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [1,0,1,0,0,0|1,0,1]=4 92 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [1,0,1,0,0,0|1,0,1]=4 93 B6R0.3 CNC(=O)C(C)Br 9099AE [1,0,1,0,0,0|2,0,0]=4 94 B6R0.3 CNC(=O)C(C)N V5134 [1,0,1,0,0,0|2,0,0]=4 95 B6R0.3 CN[C@H](C)C(=O)O Z5607 [1,0,1,0,0,0|1,0,1]=4 96 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [1,0,1,0,0,0|2,0,0]=4 97 B6R0.3 CSC(C)C(=O)O 6148AE [1,0,1,0,0,0|1,0,1]=4 98 B6R0.3 CSC(C)C(C)=O 6125AL [1,0,1,0,0,0|1,0,1]=4 99 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [1,0,1,0,0,0|1,0,1]=4 100 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,0,1,0,0,0|1,0,1]=4 101 B6R1.2 CC1=CCCC1 9313AJ [2,0,0,0,0,0|1,0,0]=3 102 B6R1.2 CC1=CCCO1 0728AQ [2,0,0,0,0,0|2,0,0]=4 103 B6R1.2 CC1CCCN1 0591AQ [2,0,0,0,0,0|1,0,1]=4 104 B6R1.2 CC1CCCS1 7972AJ [2,0,0,0,0,0|1,0,1]=4 105 B6R1.2 CC1CCNC1 X9461 [2,0,0,0,0,0|1,0,1]=4 106 B6R1.2 CC1CCOC1 6124AL [2,0,0,0,0,0|1,0,1]=4 107 B6R1.2 C[C@@H]1CCCN1 V2030 [2,0,0,0,0,0|1,0,1]=4 108 B6R1.2 ClC1=CCCC1 9304AJ [2,0,0,0,0,0|1,0,0]=3 109 B6R1.2 O=C1C=CCN1 V5771 [2,0,0,0,0,0|1,0,1]=4 110 B6R1.2 O=C1C=CCS1 1311AQ [2,0,0,0,0,0|1,0,1]=4 111 B8R0.1 CCCCC(=O)CCC 8758AB [0,1,1,0,0,0|1,0,1]=4 112 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,1,1,0,0,0|1,0,0]=3 113 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,1,1,0,0,0|2,0,0]=4 114 B8R0.6 C=CC(=O)NCCCC 2114AB [0,1,1,0,0,0|1,0,0]=3 115 B8R0.6 CCCCNC(=O)CCl W6790 [0,1,1,0,0,0|1,0,1]=4 116 B8R0.6 CCCCNC(=O)CN 7049AD [0,1,1,0,0,0|1,0,1]=4 117 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,1,0,0,0|1,0,1]=4 118 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,1,0,0,0|1,0,1]=4 119 B8R0.6 CCNCCC(=O)OC 6995AJ [0,1,1,0,0,0|2,0,0]=4 120 B8R0.6 CCOCCC(=O)NN 2006AE [0,1,1,0,0,0|2,0,0]=4 121 B8R0.6 COC(=O)CCCCN 9801AB [0,1,1,0,0,0|2,0,0]=4 122 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,1,1,0,0,0|0,0,0]=2 123 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,1,1,0,0,0|1,0,1]=4 124 B8R0.8 CCCCC(N)C(N)=O 6641AH [0,1,1,0,0,0|1,0,1]=4 125 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,1,1,0,0,0|1,0,0]=3 126 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,1,1,0,0,0|1,0,1]=4 127 B8R0.25 CC(C)(C=O)CCC#N 9204AB [0,1,1,0,0,0|1,0,1]=4 128 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [0,1,1,0,0,0|1,0,1]=4 129 B8R0.20 CCC(OC)C(=O)NN 8098AC [0,1,1,0,0,0|2,0,0]=4 130 B8R0.27 CN(C)C(=O)C(C)(C)C 3684AL [0,1,1,0,0,0|2,0,0]=4 131 B8R0.27 CN(C)C(=O)C(C)(C)N 7179AC [0,1,1,0,0,0|2,0,0]=4 132 B8R1.1 C=CC1CCC(=O)N1 X4185 [1,1,0,0,0,0|1,0,1]=4 133 B8R1.1 CCC1COC(=O)N1 5157AD [1,1,0,0,0,0|2,0,0]=4 134 B8R1.1 NCC1CCC(=O)N1 X3339 [1,1,0,0,0,0|1,0,0]=3 135 B8R1.1 O=C1CC(CO)CN1 7314AE [1,1,0,0,0,0|1,0,1]=4 136 B8R1.1 O=C1CCC(CO)C1 W1896 [1,1,0,0,0,0|0,0,1]=3 137 B8R1.1 O=C1CCC(CO)N1 9405AB [1,1,0,0,0,0|1,0,0]=3 138 B8R1.1 O=C1NCC(CO)O1 V7609 [1,1,0,0,0,0|2,0,0]=4 139 B8R1.18 CC1CC(Br)C(=O)O1 1181AQ [1,1,0,0,0,0|1,0,0]=3 140 B8R1.51 CC1(C)CC(=O)CS1 3715AB [1,1,0,0,0,0|1,0,1]=4 141 B8R1.51 CC1(C)CCC(=O)C1 V4062 [1,1,0,0,0,0|0,0,1]=3 142 B8R1.51 CC1(C)CNC(=O)O1 2855AL [1,1,0,0,0,0|2,0,0]=4 143 B8R1.51 CC1(C)COC(=O)C1 2579AL [1,1,0,0,0,0|1,0,1]=4 144 B8R1.51 CC1(C)OCC(=O)O1 5725AB [1,1,0,0,0,0|2,0,0]=4 145 B8R1.11 O=C1CCCN1CO 7398AF [1,1,0,0,0,0|1,0,1]=4 146 B8R1.19 CC1(C)OC=CC1=O 0580AQ [1,1,0,0,0,0|1,0,1]=4 147 B10R1.25 CCC1CNC(=O)CC1=O W8151 [0,1,0,0,0,1|1,0,0]=3 148 B8R1.2 BrC=C1CCCCC1 0651AQ [0,0,1,1,0,0|2,0,0]=4 149 B8R1.2 O=CC1CCCCN1 X3865 [0,0,1,1,0,0|1,0,1]=4 150 B8R1.2 O=CC1CCCNC1 4398AB [0,0,1,1,0,0|1,0,1]=4 151 B8R1.2 O=CC1CCNCC1 0201AP [0,0,1,1,0,0|2,0,0]=4 152 B8R1.2 O=CC1CCNCC1 Y9263 [0,0,1,1,0,0|2,0,0]=4 153 B8R1.2 O=CC1CCSCC1 Y9262 [0,0,1,1,0,0|2,0,0]=4 154 B8R1.3 CC1CCC(=O)NC1 3753AB [0,0,1,1,0,0|1,0,1]=4 155 B8R1.5 NN1CCCCC1=O Z4590 [0,0,1,1,0,0|2,0,0]=4 156 B8R1.5 O=C1CCCC=C1Br V6293 [0,0,1,1,0,0|1,0,1]=4 157 B8R1.5 O=C1CCCC=C1I 2099AL [0,0,1,1,0,0|1,0,1]=4 158 B8R1.5 O=C1CCCCC1Br X5630 [0,0,1,1,0,0|1,0,1]=4 159 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,0,1,1,0,0|1,0,1]=4 160 B8R1.5 O=C1NCCNC1=O 3615AD [0,0,1,1,0,0|2,0,0]=4 161 B8R1.22 BrC1=CCCCCC1 V3936 [0,0,1,1,0,0|2,0,0]=4 162 B8R1.22 O=C1CCCCNC1 0003AC [0,0,1,1,0,0|1,0,1]=4 163 B8R1.38 CNC(=O)C1CCC1 4798AA [0,0,1,1,0,0|2,0,0]=4 164 B8R1.39 CC1(C(=O)NN)CC1 8813AE [0,0,1,1,0,0|2,0,0]=4 165 B8R1.54 CC(Br)C(=O)C1CC1 5469AJ [0,0,1,1,0,0|1,0,1]=4 166 B10R2.25 O=C1C2CCC(C2)C1Cl 1094AQ [0,0,0,1,0,1|1,0,1]=4 167 B10R2.179 CC12CCCC(=O)C1O2 3046AL [0,0,0,1,0,1|0,0,2]=4 168 B10R2.62 C12CCN(CC1)CC2=O X7169 [0,0,0,1,0,1|2,0,0]=4 169 B10R2.32 O=C1CCC2CNCC12 1388AC [0,1,0,1,0,0|1,0,1]=4 170 B10R2.32 O=C1CCC2CNCC12 Y5990 [0,1,0,1,0,0|1,0,1]=4 171 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,0,1,0,0,1|0,0,0]=2 172 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,0,1,0,0,1|1,0,1]=4 173 B8R0.23 CC(C)NC(=O)C(C)C 1083AF [0,0,1,0,0,1|1,0,1]=4 174 B8R0.23 CC(C)NC(=O)C(C)Cl 3092AE [0,0,1,0,0,1|1,0,1]=4 175 B8R0.23 CC(C)NC(=O)C(C)N 2921AD [0,0,1,0,0,1|1,0,1]=4 176 B8R1.4 CC1CC(=O)CCN1 1072AC [1,0,0,0,0,1|0,0,1]=3 177 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,0,0,1|1,0,0]=3 178 B8R1.4 CC1COCC(=O)N1 V7159 [1,0,0,0,0,1|1,0,0]=3 179 B8R1.4 CN1CCCC(=O)C1 9933AH [1,0,0,0,0,1|1,0,1]=4 180 B8R1.4 CN1CCCC(=O)C1 9934AH [1,0,0,0,0,1|1,0,1]=4 181 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [1,0,0,0,0,1|1,0,0]=3 182 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [1,0,0,0,0,1|1,0,0]=3 183 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [1,0,0,0,0,1|1,0,0]=3 184 B8R1.4 NC1CCNC(=O)C1 X9664 [1,0,0,0,0,1|1,0,1]=4