0 B8R1.1 C=CC1CCC(=O)N1 X4185 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.1 C=C[C@@H]1CNC(=S)O1 X1130 [0,0,0,0,0,0|1,1,2]=4 2 B8R1.1 CCC1=NN=C(O)O1 1883AE [0,0,0,0,0,0|2,0,2]=4 3 B8R1.1 CCC1COC(=O)N1 5157AD [0,0,0,0,0,0|2,0,0]=2 4 B8R1.1 CCC1CSC(C)=N1 5718AL [0,0,0,0,0,0|3,0,0]=3 5 B8R1.1 CN1CCC(CN)C1 5417AA [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CN1CC[C@H](CO)C1 9151AH [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CN[C@H]1CCN(C)C1 Z2059 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 NCC1CCC(=O)N1 X3339 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.1 O=C1CC(CO)CN1 7314AE [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 O=C1CCC(CO)C1 W1896 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.1 O=C1CCC(CO)N1 9405AB [0,0,0,0,0,0|2,0,0]=2 12 B8R1.1 O=C1NCC(CO)O1 V7609 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.1 OCC1CCC(O)C1 W1894 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.1 BrCC1CCCN1 6324AA [1,0,0,0,0,0|2,0,1]=4 15 B7R1.1 BrCC1CCOC1 8390AA [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 CCC1=NN=CO1 5828AA [1,0,0,0,0,0|2,0,1]=4 17 B7R1.1 CCC1CCCC1 7901AL [1,0,0,0,0,0|1,0,1]=3 18 B7R1.1 CCC1CCCN1 7143AC [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 CCC1CCNC1 9496AE [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 CCN1CCCC1 8555AL [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 CNC1CCNC1 2827AC [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 CNC1CCOC1 Z5570 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 CN[C@@H]1CCNC1 X6025 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 CN[C@@H]1CCOC1 2045AJ [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 CN[C@@H]1CCOC1 9048AH [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 ClC[C@@H]1CCCN1 9398AA [1,0,0,0,0,0|2,0,1]=4 27 B7R1.1 FC[C@@H]1CCCN1 1290AF [1,0,0,0,0,0|2,0,1]=4 28 B7R1.1 N#CC1CCCO1 7250AA [1,0,0,0,0,0|1,0,2]=4 29 B7R1.1 NCC1CCCC1 3974AJ [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 NCC1CCCC1 3975AJ [1,0,0,0,0,0|2,0,1]=4 31 B7R1.1 NCC1CCNC1 0361AC [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 NCC1OCCO1 6055AB [1,0,0,0,0,0|2,0,1]=4 33 B7R1.1 NC[C@@H]1CCCN1 O008 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.1 NC[C@H]1CCCN1 1217AC [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 OCC1CCNC1 W6601 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.2 CC1CCC(C)O1 Z5431 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.2 CC1CNC(=O)C1 X7991 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.2 CC1CNC(=O)O1 8398AC [1,0,0,0,0,0|1,0,0]=2 39 B7R1.2 CC1CNC(=S)N1 7200AD [1,0,0,0,0,0|2,1,0]=4 40 B7R1.2 NC1=CC(=O)CC1 2359AL [1,0,0,0,0,0|2,0,1]=4 41 B7R1.2 NC1CNC(=O)C1 9509AL [1,0,0,0,0,0|3,0,0]=4 42 B7R1.2 O=C1C=C(O)CC1 6113AE [1,0,0,0,0,0|2,0,1]=4 43 B7R1.2 O=C1CCC(I)C1 3588AC [1,0,0,0,0,0|2,0,0]=3 44 B7R1.2 O=C1CCC(O)N1 W1140 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.2 O=C1CNC(S)S1 5679AL [1,0,0,0,0,0|2,1,0]=4 46 B9R1.7 CCNC1CCN(C)C1 6819AJ [0,1,0,0,0,0|3,0,0]=4 47 B9R1.7 CNCC1CCN(C)C1 X2935 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.7 COC[C@@H]1COC(=O)O1 4142AL [0,1,0,0,0,0|1,0,0]=2 49 B9R1.7 COC[C@H]1CNC(=O)O1 1743AB [0,1,0,0,0,0|1,0,0]=2 50 B9R1.7 COC[C@H]1COC(=O)O1 4184AL [0,1,0,0,0,0|1,0,0]=2 51 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 2070AL [0,1,0,0,0,0|1,0,0]=2 52 B9R1.35 CC(=O)N1CCC(=O)C1 Z2278 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.35 CC(C)[C@@H]1COC(=S)N1 3966AA [0,1,0,0,0,0|2,1,0]=4 54 B9R1.35 CC(C)[C@H]1COC(=S)N1 1013AA [0,1,0,0,0,0|2,1,0]=4 55 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 V0040 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Y8727 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.35 O=C1CC[C@H](C(=O)O)C1 V2781 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.133 CNC1CCS(=O)(=O)C1 7078AB [0,1,0,0,0,0|3,0,0]=4 59 B9R1.133 CNC1CCS(=O)(=O)C1 V6444 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.133 NCC1CCS(=O)(=O)C1 3508AB [0,1,0,0,0,0|3,0,0]=4 61 B9R1.133 NCC1CCS(=O)(=O)C1 6291AB [0,1,0,0,0,0|3,0,0]=4 62 B7R0.2 C=C(C)CC(C)CC 5312AL [0,0,1,0,0,0|2,0,0]=3 63 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,0,1,0,0,0|0,0,2]=3 64 B7R0.2 CCC(C)CC(C)C 5322AL [0,0,1,0,0,0|2,0,1]=4 65 B7R0.2 CCC(N)CC(=O)O 2363AL [0,0,1,0,0,0|3,0,0]=4 66 B7R0.2 CCN(C)CC(C)=O 9608AC [0,0,1,0,0,0|2,0,0]=3 67 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,0,1,0,0,0|3,0,0]=4 68 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,0,1,0,0,0|3,0,0]=4 69 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,0,1,0,0,0|2,0,1]=4 70 B7R0.2 COC(C)CC(=O)O 0132AA [0,0,1,0,0,0|3,0,0]=4 71 B7R0.3 C=C(CC)CCCC 5608AL [0,0,1,0,0,0|2,0,0]=3 72 B7R0.3 C=C(CCl)OCOC 1799AL [0,0,1,0,0,0|3,0,0]=4 73 B7R0.3 C=CC(=O)NCCC 3769AL [0,0,1,0,0,0|1,0,2]=4 74 B7R0.3 CC#CCC(O)CC 6775AL [0,0,1,0,0,0|1,0,2]=4 75 B7R0.3 CCC(=O)NCCN 3366AF [0,0,1,0,0,0|2,0,0]=3 76 B7R0.3 CCC(=O)NCCO 8325AL [0,0,1,0,0,0|2,0,0]=3 77 B7R0.3 CCC(Cl)CCCCl 4475AE [0,0,1,0,0,0|2,0,1]=4 78 B7R0.3 CCCCC(C)CC 6251AE [0,0,1,0,0,0|2,0,1]=4 79 B7R0.3 CCCCC(O)CC 8762AB [0,0,1,0,0,0|1,0,1]=3 80 B7R0.3 CCC\C=C(/C)CC 6104AL [0,0,1,0,0,0|2,0,0]=3 81 B7R0.3 CCNCC(=O)OC 2143AA [0,0,1,0,0,0|3,0,0]=4 82 B7R0.3 CCNCC(=O)OC 2988AC [0,0,1,0,0,0|3,0,0]=4 83 B7R0.3 CC[C@H](C)CCCO 4203AL [0,0,1,0,0,0|1,0,2]=4 84 B7R0.3 CNC(=O)CCCN 5583AD [0,0,1,0,0,0|3,0,0]=4 85 B7R0.3 CNCCC(=O)NC 4515AE [0,0,1,0,0,0|3,0,0]=4 86 B7R0.3 CNCCC(=O)NC 5845AE [0,0,1,0,0,0|3,0,0]=4 87 B7R0.3 CNCCC(=O)OC 1857AB [0,0,1,0,0,0|3,0,0]=4 88 B7R0.3 CNCCC(=O)OC X3419 [0,0,1,0,0,0|3,0,0]=4 89 B7R0.3 COC(=O)CCC=O W3030 [0,0,1,0,0,0|1,0,2]=4 90 B7R0.3 COC(=O)CCCS X9990 [0,0,1,0,0,0|3,0,0]=4 91 B7R0.3 NCC(=O)NCCO 0947AF [0,0,1,0,0,0|3,0,0]=4 92 B7R0.4 C=C(C)CCCCC 5698AL [0,0,1,0,0,0|2,0,0]=3 93 B7R0.4 C=CCSCC(=O)O 6981AD [0,0,1,0,0,0|1,0,2]=4 94 B7R0.4 CC(=O)CCCC#N 6789AL [0,0,1,0,0,0|2,0,1]=4 95 B7R0.4 CC(=O)NCCCN V5818 [0,0,1,0,0,0|3,0,0]=4 96 B7R0.4 CC(=O)NCCCN V6432 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.4 CC(=O)NCCCO 8280AC [0,0,1,0,0,0|3,0,0]=4 98 B7R0.4 CCCCCC(C)C 5733AL [0,0,1,0,0,0|2,0,1]=4 99 B7R0.4 CCCCCC(C)Cl 5577AL [0,0,1,0,0,0|2,0,1]=4 100 B7R0.4 CCCCNC(C)=O 7541AF [0,0,1,0,0,0|2,0,0]=3 101 B7R0.4 CCOCCC(C)=O 6489AL [0,0,1,0,0,0|2,0,0]=3 102 B7R0.4 CCSCCC(=O)O 8721AE [0,0,1,0,0,0|1,0,0]=2 103 B7R0.4 COCCNC(N)=O V4427 [0,0,1,0,0,0|3,0,0]=4 104 B7R0.12 C=CCN(CC)CC 8432AL [0,0,1,0,0,0|3,0,0]=4 105 B7R0.12 CCNC(CC)CC 2358AE [0,0,1,0,0,0|2,0,1]=4 106 B9R2.39 BrC1=CC2CCC1C2 V7347 [0,0,0,1,0,0|2,0,0]=3 107 B9R2.39 ClC1CC2CCC1C2 1378AQ [0,0,0,1,0,0|2,0,1]=4 108 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 3675AA [0,0,0,1,0,0|2,0,1]=4 109 B9R2.39 [C@@H]12CC[C@@H](C[C@@H]1Br)C2 3427AL [0,0,0,1,0,0|2,0,1]=4 110 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 W8358 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.10 C=C1CC(CN)C1 5243AD [0,0,0,0,1,0|3,0,0]=4 112 B7R1.10 O=C1CC(CCl)C1 2253AL [0,0,0,0,1,0|2,0,0]=3 113 B7R1.10 O=C1CC(CO)C1 9616AA [0,0,0,0,1,0|2,0,0]=3 114 B9R1.1 C=C1CCC(CO)CC1 7160AC [0,0,0,0,0,1|3,0,0]=4 115 B9R1.1 CCC1CCC(C)CC1 4854AL [0,0,0,0,0,1|2,0,1]=4 116 B9R1.1 CCC1CCC(O)CC1 6248AB [0,0,0,0,0,1|1,0,2]=4 117 B9R1.1 CNC1CCC(=O)CC1 Y5985 [0,0,0,0,0,1|2,0,0]=3 118 B9R1.1 O=C1CCC(CO)CN1 7233AA [0,0,0,0,0,1|2,0,0]=3 119 B9R1.1 O=CC1CCC(=O)CC1 6740AC [0,0,0,0,0,1|2,0,1]=4 120 B9R1.2 CCC1CCCC(C)C1 4845AL [0,0,0,0,0,1|2,0,1]=4 121 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,0,0,0,0,1|1,0,2]=4 122 B9R1.2 NCC1CCCC(=O)N1 3336AJ [0,0,0,0,0,1|2,0,0]=3 123 B9R1.2 O=C1CC(CO)CCN1 5141AE [0,0,0,0,0,1|2,0,0]=3 124 B9R1.2 O=C1CCCC(CO)N1 3344AJ [0,0,0,0,0,1|2,0,0]=3 125 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [0,0,0,0,0,1|2,0,0]=3 126 B6R0.1 C#CCC(O)CC 6781AL [1,0,1,0,0,0|0,0,2]=4 127 B6R0.1 CCC(=O)CSC K829 [1,0,1,0,0,0|1,0,0]=3 128 B6R0.1 CCC(O)CNN 2943AE [1,0,1,0,0,0|2,0,0]=4 129 B6R0.1 CCCC(=O)SC 8847AJ [1,0,1,0,0,0|1,0,0]=3 130 B6R0.1 CCCC(Br)CC 3975AB [1,0,1,0,0,0|1,0,1]=4 131 B6R0.1 CCCC(C)CC 7810AF [1,0,1,0,0,0|1,0,1]=4 132 B6R0.1 CCCC(O)CC 7557AF [1,0,1,0,0,0|0,0,1]=3 133 B6R0.1 CCNC(=O)CBr 5060AE [1,0,1,0,0,0|2,0,0]=4 134 B6R0.1 CCNC(=O)CN 8793AD [1,0,1,0,0,0|2,0,0]=4 135 B6R0.1 CCNC(C)CC 7145AD [1,0,1,0,0,0|1,0,1]=4 136 B6R0.1 CCOC(=N)CC 8352AC [1,0,1,0,0,0|1,0,0]=3 137 B6R0.1 CCOC(C)CC 8956AL [1,0,1,0,0,0|0,0,1]=3 138 B6R0.1 CCOC(C)CN 0082AD [1,0,1,0,0,0|1,0,1]=4 139 B6R0.1 CCSC(=O)CC 8960AL [1,0,1,0,0,0|0,1,0]=3 140 B6R0.1 CC[C@H](C)CCO 4202AL [1,0,1,0,0,0|1,0,1]=4 141 B6R0.1 CNC(=O)CCCl 2983AE [1,0,1,0,0,0|2,0,0]=4 142 B6R0.1 CNC(=O)CCO 8079AE [1,0,1,0,0,0|2,0,0]=4 143 B6R0.1 CNCC(=O)NC V5990 [1,0,1,0,0,0|2,0,0]=4 144 B6R0.1 COC(=O)CCN 5700AB [1,0,1,0,0,0|2,0,0]=4 145 B6R0.1 OCC[C@@H](O)CO W7968 [1,0,1,0,0,0|1,0,1]=4 146 B6R0.1 O[C@H](CBr)CCBr 9809AB [1,0,1,0,0,0|2,0,0]=4 147 B6R0.4 C=C(C)CCCC 5699AL [1,0,1,0,0,0|2,0,0]=4 148 B6R0.4 C=CCCC(C)C 6791AL [1,0,1,0,0,0|2,0,0]=4 149 B6R0.4 CC(=O)CCCBr W5938 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.4 CC(=O)NCCCl W8163 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.4 CC(=O)OCCCl 7237AF [1,0,1,0,0,0|1,0,0]=3 152 B6R0.4 CC(=O)SCCN 5884AD [1,0,1,0,0,0|1,1,0]=4 153 B6R0.4 CCCC=C(C)C 5704AL [1,0,1,0,0,0|2,0,0]=4 154 B6R0.4 CCCCC(=O)Br 7391AF [1,0,1,0,0,0|1,0,0]=3 155 B6R0.4 CCCCC(C)O 9467AB [1,0,1,0,0,0|1,0,1]=4 156 B6R0.4 CCCO[N+](=O)[O-] X5340 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.4 CC\C=C\C(=O)O 6805AA [1,0,1,0,0,0|0,0,2]=4 158 B6R0.4 CSCCC(=O)Cl 6126AL [1,0,1,0,0,0|2,0,0]=4 159 B6R0.6 C=CCCCCI 0232AQ [1,0,1,0,0,0|2,0,0]=4 160 B6R0.6 C=CCSCCC R577 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.6 CCCCCSC 7567AF [1,0,1,0,0,0|2,0,0]=4 162 B6R0.6 CCCCOCC 7302AL [1,0,1,0,0,0|2,0,0]=4 163 B6R0.6 CCCOCCC 7558AF [1,0,1,0,0,0|0,0,1]=3 164 B6R0.6 CCCSCCC 7569AF [1,0,1,0,0,0|0,1,1]=4 165 B6R0.6 CCC\C=C/CO 7423AL [1,0,1,0,0,0|2,0,0]=4 166 B6R0.6 CC\C=C\CCC 9219AL [1,0,1,0,0,0|1,0,0]=3 167 B6R0.6 C\C=C/CCCC 7422AL [1,0,1,0,0,0|1,0,1]=4 168 B6R0.6 C\C=C\CCCC 7780AF [1,0,1,0,0,0|1,0,1]=4 169 B6R0.6 C\C=C\SCCC U946 [1,0,1,0,0,0|0,1,1]=4 170 B6R0.9 CCC(CC)NC 7289AJ [1,0,1,0,0,0|1,0,1]=4 171 B6R0.9 CCC(CC)NN 1078AD [1,0,1,0,0,0|2,0,0]=4 172 B6R0.9 CCC(CN)OC 8133AC [1,0,1,0,0,0|1,0,1]=4 173 B6R0.9 CCC(CN)OC X2088 [1,0,1,0,0,0|1,0,1]=4 174 B6R0.9 CCC(CO)OC 5682AL [1,0,1,0,0,0|1,0,1]=4 175 B6R0.9 CCC(OC)OC 8873AL [1,0,1,0,0,0|1,0,1]=4 176 B6R1.2 CC1=CCCC1 9313AJ [2,0,0,0,0,0|2,0,0]=4 177 B6R1.2 CC1=CCCO1 0728AQ [2,0,0,0,0,0|1,0,1]=4 178 B6R1.2 CC1CCCN1 0591AQ [2,0,0,0,0,0|1,0,1]=4 179 B6R1.2 CC1CCCS1 7972AJ [2,0,0,0,0,0|0,1,1]=4 180 B6R1.2 CC1CCNC1 X9461 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 CC1CCOC1 6124AL [2,0,0,0,0,0|2,0,0]=4 182 B6R1.2 CC1COCO1 6593AL [2,0,0,0,0,0|1,0,1]=4 183 B6R1.2 CC1OCCO1 7260AF [2,0,0,0,0,0|1,0,1]=4 184 B6R1.2 C[C@@H]1CCCN1 V2030 [2,0,0,0,0,0|1,0,1]=4 185 B6R1.2 ClC1=CCCC1 9304AJ [2,0,0,0,0,0|2,0,0]=4 186 B6R1.2 NC1=NCCO1 5489AL [2,0,0,0,0,0|2,0,0]=4 187 B6R1.2 S=C1NCCO1 1519AL [2,0,0,0,0,0|1,1,0]=4 188 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [0,1,1,0,0,0|2,0,0]=4 189 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,1,1,0,0,0|2,0,0]=4 190 B8R0.16 C=CC(CC)OC(C)=O 4942AL [0,1,1,0,0,0|0,0,1]=3 191 B8R0.19 CCC(C)NC(=O)CN 1865AD [0,1,1,0,0,0|1,0,0]=3 192 B8R0.19 CCC(C)OC(C)CC 8955AL [0,1,1,0,0,0|1,0,1]=4 193 B8R0.34 CSC(C)(C)CC(C)=O U806 [0,1,1,0,0,0|2,0,0]=4 194 B8R0.1 CCCC(C)COC=O 5740AL [0,1,1,0,0,0|2,0,0]=4 195 B8R0.1 CCCCC(=O)CCC 8758AB [0,1,1,0,0,0|1,0,0]=3 196 B8R0.1 CCCNC(=O)CCN 2039AD [0,1,1,0,0,0|1,0,0]=3 197 B8R0.1 CCCNC(=O)CNC 2661AF [0,1,1,0,0,0|1,0,0]=3 198 B8R0.1 CCCNC(=O)CNC 8106AC [0,1,1,0,0,0|1,0,0]=3 199 B8R0.1 CCOC(=O)CCOC 6085AL [0,1,1,0,0,0|2,0,0]=4 200 B8R0.1 CNCC(=O)NCCO 2049AD [0,1,1,0,0,0|2,0,0]=4 201 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,1,1,0,0,0|1,0,1]=4 202 B8R0.1 NCCC(=O)NCCO 2327AD [0,1,1,0,0,0|2,0,0]=4 203 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,1,1,0,0,0|2,0,0]=4 204 B8R0.6 CCCCNC(=O)CCl W6790 [0,1,1,0,0,0|2,0,0]=4 205 B8R0.6 CCCCNC(=O)CN 7049AD [0,1,1,0,0,0|2,0,0]=4 206 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,1,0,0,0|1,0,0]=3 207 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,1,0,0,0|1,0,0]=3 208 B8R0.6 CCNCCC(=O)OC 6995AJ [0,1,1,0,0,0|2,0,0]=4 209 B8R0.6 COC(=O)CCCCN 9801AB [0,1,1,0,0,0|2,0,0]=4 210 B8R0.6 COCCNC(=O)CCl 0644AA [0,1,1,0,0,0|2,0,0]=4 211 B8R0.6 COCCNC(=O)CN 2350AD [0,1,1,0,0,0|2,0,0]=4 212 B8R0.6 NCC(=O)NCCCO 2231AD [0,1,1,0,0,0|2,0,0]=4 213 B8R0.8 C=CCOC(=O)[C@H](C)N 6180AB [0,1,1,0,0,0|0,0,2]=4 214 B8R0.8 CC(N)C(=O)NCCO 2846AD [0,1,1,0,0,0|2,0,0]=4 215 B8R0.8 CC(O)C(=O)NCCO 8324AL [0,1,1,0,0,0|2,0,0]=4 216 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,1,1,0,0,0|1,0,1]=4 217 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,1,1,0,0,0|1,0,0]=3 218 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,1,0,0,0|0,0,0]=2 219 B8R0.9 CC(C)CNC(=O)CBr 4255AF [0,1,1,0,0,0|2,0,0]=4 220 B8R0.9 CC(C)CNC(=O)CN 5727AD [0,1,1,0,0,0|2,0,0]=4 221 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,1,1,0,0,0|0,0,2]=4 222 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,1,1,0,0,0|1,0,0]=3 223 B8R0.9 CCC(C)COC(C)=O 1426AQ [0,1,1,0,0,0|2,0,0]=4 224 B8R0.25 CCCCC(C)(O)CC 6103AL [0,1,1,0,0,0|1,0,1]=4 225 B8R0.7 C=C(C)CCCCCCl 6449AD [0,1,1,0,0,0|2,0,0]=4 226 B8R0.7 CCCCCC[C@H](C)O D263 [0,1,1,0,0,0|1,0,1]=4 227 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [0,1,1,0,0,0|1,0,1]=4 228 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,1,1,0,0,0|0,0,1]=3 229 B8R0.7 COCCCNC(N)=O 8899AC [0,1,1,0,0,0|2,0,0]=4 230 B8R0.7 NC(=O)CCCCCO 3555AJ [0,1,1,0,0,0|1,0,0]=3 231 B8R0.21 COCCCS(=O)(=O)O 5909AJ [0,1,1,0,0,0|2,0,0]=4 232 B8R0.28 CC(=O)CCCN(C)C Y9101 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,1,1,0,0,0|2,0,0]=4 234 B8R0.28 CC(C)CCOC(=O)Cl 6828AJ [0,1,1,0,0,0|2,0,0]=4 235 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,1,1,0,0,0|2,0,0]=4 236 B8R0.28 NC(=O)CCCC(=O)O 8447AD [0,1,1,0,0,0|1,0,1]=4 237 B8R1.7 CC(C)C1CCCN1 1823AL [1,1,0,0,0,0|1,0,1]=4 238 B8R1.7 CC(C)C1CCCN1 5075AH [1,1,0,0,0,0|1,0,1]=4 239 B8R1.7 CC(N)C1CCCC1 9818AH [1,1,0,0,0,0|1,0,1]=4 240 B8R1.8 CCCC1CCNC1 9744AC [1,1,0,0,0,0|2,0,0]=4 241 B8R1.8 CCNC1CCCC1 0012AD [1,1,0,0,0,0|1,0,1]=4 242 B8R1.8 CCN[C@H]1CCNC1 4073AL [1,1,0,0,0,0|2,0,0]=4 243 B8R1.8 CCOC1CCNC1 2264AJ [1,1,0,0,0,0|2,0,0]=4 244 B8R1.8 CCOC1CCNC1 6283AB [1,1,0,0,0,0|2,0,0]=4 245 B8R1.8 CCO[C@@H]1CCNC1 8998AH [1,1,0,0,0,0|2,0,0]=4 246 B8R1.8 CCO[C@@H]1CCNC1 V3659 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.8 CCO[C@H]1CCNC1 7072AA [1,1,0,0,0,0|2,0,0]=4 248 B8R1.8 CNCC1CCCC1 7687AE [1,1,0,0,0,0|1,0,1]=4 249 B8R1.8 CNCC1CCCC1 8911AH [1,1,0,0,0,0|1,0,1]=4 250 B8R1.8 CNCC1CCOC1 8650AE [1,1,0,0,0,0|2,0,0]=4 251 B8R1.8 CNCC1OCCO1 1363AQ [1,1,0,0,0,0|1,0,1]=4 252 B8R1.8 COC[C@@H]1CCNC1 8987AH [1,1,0,0,0,0|2,0,0]=4 253 B8R1.8 COC[C@H]1CCNC1 9152AH [1,1,0,0,0,0|2,0,0]=4 254 B8R1.8 N#CCC1CCCO1 Z4607 [1,1,0,0,0,0|0,0,2]=4 255 B8R1.8 NCCC1CCCO1 4604AF [1,1,0,0,0,0|0,0,1]=3 256 B8R1.8 OCCC1CCCC1 1930AC [1,1,0,0,0,0|1,0,1]=4 257 B8R1.8 OCCC1CCNC1 1286AJ [1,1,0,0,0,0|2,0,0]=4 258 B8R1.8 OCCN1CCC=N1 5780AE [1,1,0,0,0,0|2,0,0]=4 259 B8R1.52 CC1(CN)CCCO1 1153AC [1,1,0,0,0,0|1,0,1]=4 260 B8R1.18 CC1CC(Br)C(=O)O1 1181AQ [1,1,0,0,0,0|0,0,0]=2 261 B8R1.18 O=C1OC(Cl)C(Cl)O1 2585AL [1,1,0,0,0,0|2,0,0]=4 262 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [1,1,0,0,0,0|1,0,1]=4 263 B8R1.50 CC1CCC(=O)N1C 0337AQ [1,1,0,0,0,0|1,0,0]=3 264 B8R1.51 CC1(C)CC(=O)CS1 3715AB [1,1,0,0,0,0|2,0,0]=4 265 B8R1.51 CC1(C)CCC(=O)C1 V4062 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.51 CC1(C)CNC(=O)O1 2855AL [1,1,0,0,0,0|1,0,0]=3 267 B8R1.51 CC1(C)COC(=O)C1 2579AL [1,1,0,0,0,0|2,0,0]=4 268 B8R1.51 CC1(C)OCC(=O)O1 5725AB [1,1,0,0,0,0|1,0,0]=3 269 B10R1.1 CCCC1CC=C(Br)CC1 Z6635 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.13 CN(C)C1CCC(=O)CC1 5509AB [0,1,0,0,0,1|2,0,0]=4 271 B10R1.25 CCC1CNC(=O)CC1=O W8151 [0,1,0,0,0,1|1,0,1]=4 272 B10R1.8 COC1CC(=O)CN(C)C1 4199AB [0,1,0,0,0,1|2,0,0]=4 273 B10R1.113 CC(C)C1CCCC(=O)C1 7920AD [0,1,0,0,0,1|1,0,0]=3 274 B10R1.113 CC(C)N1CCCC(=O)C1 W8425 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [0,2,0,0,0,0|1,0,1]=4 276 B10R1.55 CC(C)(C)C1CCC(=O)C1 5616AE [0,2,0,0,0,0|1,0,0]=3 277 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 N451 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.55 O=C1OCC(C(F)(F)F)O1 5392AD [0,2,0,0,0,0|2,0,0]=4 279 B8R1.4 CC1CC(=O)CCN1 1072AC [0,0,1,1,0,0|2,0,0]=4 280 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,0,1,1,0,0|1,0,0]=3 281 B8R1.4 CC1CCOC(C)O1 5310AL [0,0,1,1,0,0|0,0,2]=4 282 B8R1.4 CC1COCC(=O)N1 V7159 [0,0,1,1,0,0|2,0,0]=4 283 B8R1.4 CN1CCCC(=O)C1 9933AH [0,0,1,1,0,0|2,0,0]=4 284 B8R1.4 CN1CCCC(=O)C1 9934AH [0,0,1,1,0,0|2,0,0]=4 285 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,0,1,1,0,0|2,0,0]=4 286 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,0,1,1,0,0|2,0,0]=4 287 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [0,0,1,1,0,0|2,0,0]=4 288 B8R1.34 CC(=O)OC1CNC1 9055AE [0,0,1,1,0,0|1,0,0]=3 289 B8R1.3 CC1CCC(=O)NC1 3753AB [0,0,1,1,0,0|1,0,0]=3 290 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,1,1,0,0|2,0,0]=4 291 B8R1.3 NC1CCC(=O)NC1 7736AA [0,0,1,1,0,0|2,0,0]=4 292 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,0,1,1,0,0|2,0,0]=4 293 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,0,1,1,0,0|2,0,0]=4 294 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,0,1,1,0,0|1,0,0]=3 295 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [0,0,1,1,0,0|1,0,0]=3 296 B8R1.5 CC1CNCCC1O 3011AA [0,0,1,1,0,0|2,0,0]=4 297 B8R1.5 CC1COCCC1=O Z3955 [0,0,1,1,0,0|2,0,0]=4 298 B8R1.5 CC1NCCNC1=O 1693AB [0,0,1,1,0,0|2,0,0]=4 299 B8R1.5 CC1OCCNC1=O 5590AJ [0,0,1,1,0,0|2,0,0]=4 300 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,0,1,1,0,0|1,0,1]=4 301 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,0,1,1,0,0|2,0,0]=4 302 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,0,1,1,0,0|2,0,0]=4 303 B8R1.5 O=C1CCCCC1Br X5630 [0,0,1,1,0,0|2,0,0]=4 304 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,0,1,1,0,0|2,0,0]=4 305 B8R1.5 O=C1NCCCC1Br 4146AB [0,0,1,1,0,0|2,0,0]=4 306 B8R1.22 BrC1=CCCCCC1 V3936 [0,0,1,1,0,0|2,0,0]=4 307 B8R1.22 O=C1CCCCNC1 0003AC [0,0,1,1,0,0|2,0,0]=4 308 B8R1.22 O=C1CCNCCN1 W5590 [0,0,1,1,0,0|2,0,0]=4 309 B8R1.22 O=C1CCSCCN1 9235AD [0,0,1,1,0,0|2,0,0]=4 310 B8R1.22 OC1CCCNCC1 V5726 [0,0,1,1,0,0|1,0,1]=4 311 B8R1.22 OC1CCCNCC1 X9141 [0,0,1,1,0,0|1,0,1]=4 312 B8R1.38 CNC(=O)C1CCC1 4798AA [0,0,1,1,0,0|2,0,0]=4 313 B8R1.38 O=C(CBr)N1CCC1 4165AC [0,0,1,1,0,0|2,0,0]=4 314 B8R1.35 O=C(O)C#CC1CC1 0479AQ [0,0,1,1,0,0|0,0,2]=4 315 B8R2.34 C12CCC(CC1)O2 6894AL [1,0,0,1,0,0|0,0,1]=3 316 B8R2.34 C1=CC2CC1CN2 0247AC [1,0,0,1,0,0|2,0,0]=4 317 B10R2.71 ClC1=CC2CCC(C1)C2 1365AQ [0,0,0,1,0,1|2,0,0]=4 318 B10R2.2 O=C1CC2CNCC2C1 4135AJ [0,1,0,1,0,0|1,0,0]=3 319 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,1,0,1,0,0|0,0,1]=3 320 B10R2.14 O=C1CC(C2CC2)CN1 X9678 [0,1,0,1,0,0|2,0,0]=4 321 B10R2.32 O=C1CCC2CNCC12 1388AC [0,1,0,1,0,0|1,0,0]=3 322 B10R2.32 O=C1CCC2CNCC12 Y5990 [0,1,0,1,0,0|1,0,0]=3 323 B10R2.32 O=C1CCN2CCCC12 6905AA [0,1,0,1,0,0|2,0,0]=4 324 B10R2.332 O=C1CC2(CN1)COC2 Z3975 [0,1,0,1,0,0|2,0,0]=4 325 B10R2.25 O=C1C2CCC(C2)C1Cl 1094AQ [0,1,0,1,0,0|1,0,0]=3 326 B6R0.3 CC(=O)C(N)CO 6844AC [0,0,1,0,1,0|2,0,0]=4 327 B6R0.3 CC(CS)C(=O)O Y3236 [0,0,1,0,1,0|2,0,0]=4 328 B6R0.3 CCC(Br)C(N)=O 5224AE [0,0,1,0,1,0|2,0,0]=4 329 B6R0.3 CCC(C)C(C)=O U423 [0,0,1,0,1,0|0,0,0]=2 330 B6R0.3 CCC(C)C(C)C 5239AL [0,0,1,0,1,0|1,0,1]=4 331 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,0,1,0,1,0|2,0,0]=4 332 B6R0.3 CCC(S)C(C)=O 9471AJ [0,0,1,0,1,0|1,0,0]=3 333 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,0,1,0,1,0|1,0,0]=3 334 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,0,1,0,1,0|1,0,0]=3 335 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,0,1,0,1,0|2,0,0]=4 336 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,0,1,0,1,0|2,0,0]=4 337 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,0,1,0,1,0|2,0,0]=4 338 B6R0.3 CSC(C)C(=O)O 6148AE [0,0,1,0,1,0|2,0,0]=4 339 B6R0.3 CSC(C)C(C)=O 6125AL [0,0,1,0,1,0|1,0,0]=3 340 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,0,1,0,1,0|2,0,0]=4 341 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,0,1,0,1,0|0,0,2]=4 342 B6R1.6 NCC1CCN1 0858AA [1,0,0,0,1,0|2,0,0]=4 343 B6R1.6 NCC1CCN1 6521AH [1,0,0,0,1,0|2,0,0]=4 344 B6R1.6 NCC1CCO1 V8594 [1,0,0,0,1,0|1,0,0]=3 345 B10R1.197 CCN1CCNC(=O)CC1 4575AB [0,0,0,0,0,2|2,0,0]=4