0 B9R1.7 CCNC1CCN(C)C1 6819AJ [0,0,0,0,0,0|4,0,0]=4 1 B9R1.7 CNCC1CCN(C)C1 X2935 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.7 COC[C@@H]1COC(=O)O1 4142AL [0,0,0,0,0,0|2,0,0]=2 3 B9R1.7 COC[C@H]1CNC(=O)O1 1743AB [0,0,0,0,0,0|2,0,0]=2 4 B9R1.7 COC[C@H]1COC(=O)O1 4184AL [0,0,0,0,0,0|2,0,0]=2 5 B8R1.1 C=CC1CCC(=O)N1 X4185 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.1 CCC1COC(=O)N1 5157AD [1,0,0,0,0,0|2,0,0]=3 7 B8R1.1 CCC1CSC(C)=N1 5718AL [1,0,0,0,0,0|3,0,0]=4 8 B8R1.1 NCC1CCC(=O)N1 X3339 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.1 O=C1CC(CO)CN1 7314AE [1,0,0,0,0,0|3,0,0]=4 10 B8R1.1 O=C1CCC(CO)C1 W1896 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.1 O=C1CCC(CO)N1 9405AB [1,0,0,0,0,0|2,0,0]=3 12 B8R1.1 O=C1NCC(CO)O1 V7609 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.8 CCCC1=CC=CO1 Z5525 [1,0,0,0,0,0|0,0,3]=4 14 B8R1.8 CCCC1=NCCO1 5790AL [1,0,0,0,0,0|1,0,2]=4 15 B8R1.8 CCCC1=NN=CO1 5829AA [1,0,0,0,0,0|2,0,1]=4 16 B8R1.8 CCCC1CCNC1 9744AC [1,0,0,0,0,0|2,0,0]=3 17 B8R1.8 CCNC1CCCC1 0012AD [1,0,0,0,0,0|2,0,1]=4 18 B8R1.8 CCN[C@H]1CCNC1 4073AL [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 CCOC1CCNC1 2264AJ [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 CCOC1CCNC1 6283AB [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 CCO[C@@H]1CCNC1 8998AH [1,0,0,0,0,0|3,0,0]=4 22 B8R1.8 CCO[C@@H]1CCNC1 V3659 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 CCO[C@H]1CCNC1 7072AA [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 CNCC1CCCC1 7687AE [1,0,0,0,0,0|2,0,1]=4 25 B8R1.8 CNCC1CCCC1 8911AH [1,0,0,0,0,0|2,0,1]=4 26 B8R1.8 CNCC1CCOC1 8650AE [1,0,0,0,0,0|3,0,0]=4 27 B8R1.8 CNCC1OCCO1 1363AQ [1,0,0,0,0,0|2,0,1]=4 28 B8R1.8 COC[C@@H]1CCNC1 8987AH [1,0,0,0,0,0|3,0,0]=4 29 B8R1.8 COC[C@H]1CCNC1 9152AH [1,0,0,0,0,0|3,0,0]=4 30 B8R1.8 N#CCC1CCCO1 Z4607 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.8 NCCC1CCCO1 4604AF [1,0,0,0,0,0|1,0,1]=3 32 B8R1.8 OCCC1CCCC1 1930AC [1,0,0,0,0,0|2,0,1]=4 33 B8R1.8 OCCC1CCNC1 1286AJ [1,0,0,0,0,0|3,0,0]=4 34 B8R1.8 OCCN1CCC=N1 5780AE [1,0,0,0,0,0|3,0,0]=4 35 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1231AL [0,1,0,0,0,0|2,0,1]=4 36 B10R1.96 CCCC1=CC=C(C=O)O1 4387AD [0,1,0,0,0,0|0,0,3]=4 37 B8R0.1 CCCC(C)COC=O 5740AL [0,0,1,0,0,0|2,0,0]=3 38 B8R0.1 CCCCC(Br)CCC 7975AF [0,0,1,0,0,0|2,0,1]=4 39 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,0,1,0,0,0|2,0,0]=3 40 B8R0.5 CCCC(C)CC(C)C 5321AL [0,0,1,0,0,0|2,0,1]=4 41 B8R0.6 C=CC(=O)NCCCC 2114AB [0,0,1,0,0,0|1,0,2]=4 42 B8R0.6 CCCCNC(=O)CCl W6790 [0,0,1,0,0,0|2,0,0]=3 43 B8R0.6 CCCCNC(=O)CN 7049AD [0,0,1,0,0,0|2,0,0]=3 44 B8R0.6 CCCCOC(=O)CF 1832AE [0,0,1,0,0,0|1,0,0]=2 45 B8R0.6 CCCCOC(=O)CN 3583AD [0,0,1,0,0,0|1,0,0]=2 46 B8R0.6 CCNCCC(=O)OC 6995AJ [0,0,1,0,0,0|3,0,0]=4 47 B8R0.6 COC(=O)CCCCN 9801AB [0,0,1,0,0,0|3,0,0]=4 48 B8R0.6 COCCNC(=O)CCl 0644AA [0,0,1,0,0,0|3,0,0]=4 49 B8R0.6 COCCNC(=O)CN 2350AD [0,0,1,0,0,0|3,0,0]=4 50 B8R0.6 NCC(=O)NCCCO 2231AD [0,0,1,0,0,0|3,0,0]=4 51 B8R0.7 C=C(C)CCCCCCl 6449AD [0,0,1,0,0,0|3,0,0]=4 52 B8R0.7 CCCCCC[C@H](C)O D263 [0,0,1,0,0,0|1,0,1]=3 53 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [0,0,1,0,0,0|2,0,1]=4 54 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,0,1,0,0,0|0,0,2]=3 55 B8R0.7 COCCCNC(N)=O 8899AC [0,0,1,0,0,0|3,0,0]=4 56 B8R0.7 NC(=O)CCCCCO 3555AJ [0,0,1,0,0,0|2,0,0]=3 57 B8R0.22 CCCC(CC)CCC 6496AL [0,0,1,0,0,0|2,0,1]=4 58 B10R2.2 O=C1CC2CNCC2C1 4135AJ [0,0,0,1,0,0|2,0,0]=3 59 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,0,0,1,0,0|0,0,2]=3 60 B10R2.14 O=C1CC(C2CC2)CN1 X9678 [0,0,0,1,0,0|2,0,0]=3 61 B10R2.32 O=C1CCC2CNCC12 1388AC [0,0,0,1,0,0|2,0,0]=3 62 B10R2.32 O=C1CCC2CNCC12 Y5990 [0,0,0,1,0,0|2,0,0]=3 63 B10R2.32 O=C1CCN2CCCC12 6905AA [0,0,0,1,0,0|2,0,0]=3 64 B10R2.99 [C@@H]12CC[C@@H](O1)C(CN)C2 4751AD [0,0,0,1,0,0|2,0,1]=4 65 B10R2.332 O=C1CC2(CN1)COC2 Z3975 [0,0,0,1,0,0|3,0,0]=4 66 B10R1.1 CCCC1CC=C(Br)CC1 Z6635 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.1 CCCC1CCC(N)CC1 6678AL [0,0,0,0,0,1|2,0,1]=4 68 B10R1.10 CCCC1CCOC(C)S1 U226 [0,0,0,0,0,1|1,1,1]=4 69 B7R0.1 C=CCCCCCCl 5718AC [1,0,1,0,0,0|2,0,0]=4 70 B7R0.1 C=CCOCCCC 7029AL [1,0,1,0,0,0|2,0,0]=4 71 B7R0.1 CCC#CCCCC 7931AF [1,0,1,0,0,0|1,0,1]=4 72 B7R0.1 CCCCCC[Mg]Br 8700AJ [1,0,1,0,0,0|2,0,0]=4 73 B7R0.1 CCCCOCCCl 5574AL [1,0,1,0,0,0|1,0,1]=4 74 B7R0.1 CCCCOCCN 7133AE [1,0,1,0,0,0|1,0,1]=4 75 B7R0.1 CCCC\C=C\CO 9204AL [1,0,1,0,0,0|2,0,0]=4 76 B7R0.1 CC\C=C\CCCC 9221AL [1,0,1,0,0,0|1,0,0]=3 77 B7R0.1 C\C=C/CCCCC 7427AL [1,0,1,0,0,0|1,0,1]=4 78 B7R0.1 C\C=C\CCCCC 7960AF [1,0,1,0,0,0|1,0,1]=4 79 B7R0.1 O=CCCCCCCl Y9332 [1,0,1,0,0,0|1,0,0]=3 80 B7R0.3 C=C(CC)CCCC 5608AL [1,0,1,0,0,0|1,0,0]=3 81 B7R0.3 CCC(=O)NCCN 3366AF [1,0,1,0,0,0|2,0,0]=4 82 B7R0.3 CCC(=O)NCCO 8325AL [1,0,1,0,0,0|2,0,0]=4 83 B7R0.3 CCCCC(C)CC 6251AE [1,0,1,0,0,0|1,0,1]=4 84 B7R0.3 CCCCC(O)CC 8762AB [1,0,1,0,0,0|0,0,2]=4 85 B7R0.3 CCC\C=C(/C)CC 6104AL [1,0,1,0,0,0|1,0,1]=4 86 B7R0.3 CCNCC(=O)OC 2143AA [1,0,1,0,0,0|2,0,0]=4 87 B7R0.3 CCNCC(=O)OC 2988AC [1,0,1,0,0,0|2,0,0]=4 88 B7R0.3 CNC(=O)CCCN 5583AD [1,0,1,0,0,0|2,0,0]=4 89 B7R0.3 CNCCC(=O)NC 4515AE [1,0,1,0,0,0|2,0,0]=4 90 B7R0.3 CNCCC(=O)NC 5845AE [1,0,1,0,0,0|2,0,0]=4 91 B7R0.3 CNCCC(=O)OC 1857AB [1,0,1,0,0,0|2,0,0]=4 92 B7R0.3 CNCCC(=O)OC X3419 [1,0,1,0,0,0|2,0,0]=4 93 B7R0.3 COC(=O)CCCS X9990 [1,0,1,0,0,0|2,0,0]=4 94 B7R0.7 CCCC(C)CCO 6091AL [1,0,1,0,0,0|1,0,1]=4 95 B7R0.7 CCC[C@H](N)CCO 0636AC [1,0,1,0,0,0|1,0,1]=4 96 B7R0.2 C=C(C)CC(C)CC 5312AL [1,0,1,0,0,0|2,0,0]=4 97 B7R0.2 C=CC(C)OC(C)=O 6010AL [1,0,1,0,0,0|0,0,2]=4 98 B7R0.2 CCN(C)CC(C)=O 9608AC [1,0,1,0,0,0|2,0,0]=4 99 B7R0.4 C=C(C)CCCCC 5698AL [1,0,1,0,0,0|2,0,0]=4 100 B7R0.4 C=CCCOC(C)=O 3121AL [1,0,1,0,0,0|0,0,2]=4 101 B7R0.4 CC(=O)NCCCN V5818 [1,0,1,0,0,0|2,0,0]=4 102 B7R0.4 CC(=O)NCCCN V6432 [1,0,1,0,0,0|2,0,0]=4 103 B7R0.4 CC(=O)NCCCO 8280AC [1,0,1,0,0,0|2,0,0]=4 104 B7R0.4 CCCCNC(C)=O 7541AF [1,0,1,0,0,0|1,0,0]=3 105 B7R0.4 CCOCCC(C)=O 6489AL [1,0,1,0,0,0|2,0,0]=4 106 B7R0.4 CCSCCC(=O)O 8721AE [1,0,1,0,0,0|1,0,0]=3 107 B7R1.1 CCC1CCCC1 7901AL [2,0,0,0,0,0|1,0,1]=4 108 B7R1.1 CCC1CCCN1 7143AC [2,0,0,0,0,0|1,0,1]=4 109 B7R1.1 CCC1CCNC1 9496AE [2,0,0,0,0,0|2,0,0]=4 110 B7R1.2 CC1CCC(C)O1 Z5431 [2,0,0,0,0,0|1,0,1]=4 111 B7R1.2 CC1CNC(=O)C1 X7991 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.2 CC1CNC(=O)O1 8398AC [2,0,0,0,0,0|1,0,0]=3 113 B7R1.2 O=C1CCC(I)C1 3588AC [2,0,0,0,0,0|2,0,0]=4 114 B7R1.2 O=C1CCC(O)N1 W1140 [2,0,0,0,0,0|2,0,0]=4 115 B9R0.48 CCCC(C)CCC(C)=O 6799AL [0,1,1,0,0,0|1,0,0]=3 116 B9R0.53 CC(=O)OC(C)CC(C)C 7965AF [0,1,1,0,0,0|0,0,0]=2 117 B9R0.1 C=CC(=O)OCCC(C)C O145 [0,1,1,0,0,0|0,0,2]=4 118 B9R0.1 CC(O)CCNC(=O)CN 2340AD [0,1,1,0,0,0|2,0,0]=4 119 B9R0.46 CCCCCNC(=O)CCl 0195AE [0,1,1,0,0,0|2,0,0]=4 120 B9R0.46 CCCNCCC(=O)NC 7922AC [0,1,1,0,0,0|2,0,0]=4 121 B9R0.46 CCCNCCC(=O)OC 4406AE [0,1,1,0,0,0|2,0,0]=4 122 B9R0.46 COCCCNC(=O)CCl 5507AD [0,1,1,0,0,0|2,0,0]=4 123 B9R0.46 COCCCNC(=O)CN 1532AD [0,1,1,0,0,0|2,0,0]=4 124 B9R0.46 O=C(CBr)OCCCCBr V3894 [0,1,1,0,0,0|1,0,0]=3 125 B9R0.47 CC(N)C(=O)NCCCO 2760AD [0,1,1,0,0,0|2,0,0]=4 126 B9R0.47 CCCCNC(=O)C(C)N 7164AE [0,1,1,0,0,0|1,0,0]=3 127 B9R0.47 COCCNC(=O)C(C)N 2847AD [0,1,1,0,0,0|2,0,0]=4 128 B9R0.2 C=CCCCCCC(=O)O 6293AD [0,1,1,0,0,0|0,0,1]=3 129 B9R0.2 COCCCCCC(=O)O 5735AB [0,1,1,0,0,0|0,0,0]=2 130 B9R0.2 COCCCCOC(C)=O 6564AL [0,1,1,0,0,0|2,0,0]=4 131 B9R0.2 NC(=O)CCNCCCO 7886AC [0,1,1,0,0,0|2,0,0]=4 132 B9R0.2 OB(O)CCCCCCBr X0530 [0,1,1,0,0,0|1,0,1]=4 133 B9R0.55 CN(C)CCCCC(=O)O V8850 [0,1,1,0,0,0|1,0,0]=3 134 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 2070AL [1,1,0,0,0,0|1,0,0]=3 135 B9R1.12 CCCNC1CCCC1 2360AE [1,1,0,0,0,0|1,0,1]=4 136 B9R1.12 CCCOC1CCNC1 6253AC [1,1,0,0,0,0|2,0,0]=4 137 B9R1.12 CCCO[C@@H]1CCNC1 9006AH [1,1,0,0,0,0|2,0,0]=4 138 B9R1.12 CCCO[C@H]1CCNC1 9175AH [1,1,0,0,0,0|2,0,0]=4 139 B9R1.12 CCOCC1CCCN1 1661AF [1,1,0,0,0,0|1,0,1]=4 140 B9R1.12 CCOCC1CCNC1 0320AD [1,1,0,0,0,0|2,0,0]=4 141 B9R1.12 NCCCC1CCOC1 0274AD [1,1,0,0,0,0|2,0,0]=4 142 B9R1.12 NCCCC1CCOC1 2051AJ [1,1,0,0,0,0|2,0,0]=4 143 B9R1.13 CC(=O)CC1C=CCC1 7924AF [1,1,0,0,0,0|1,0,1]=4 144 B9R1.13 CC(C)CC1CCCN1 Z7919 [1,1,0,0,0,0|1,0,1]=4 145 B9R1.13 CC(C)CC1CCNC1 4475AF [1,1,0,0,0,0|2,0,0]=4 146 B11R1.1 CCCCC1CCC(=O)CC1 W7348 [0,1,0,0,0,1|1,0,0]=3 147 B11R1.75 O=C(O)CCC1CCC(=O)N1 9629AE [0,2,0,0,0,0|1,0,1]=4 148 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,0,1,1,0,0|1,0,1]=4 149 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,0,1,1,0,0|2,0,0]=4 150 B9R1.69 CN1CC(N)CCC1=O 2690AD [0,0,1,1,0,0|2,0,0]=4 151 B9R1.34 CC1CC(=O)CC(C)N1 1417AJ [0,0,1,1,0,0|2,0,0]=4 152 B9R1.1 CNC1CCC(=O)CC1 Y5985 [0,0,1,1,0,0|2,0,0]=4 153 B9R1.1 O=C1CCC(CO)CN1 7233AA [0,0,1,1,0,0|2,0,0]=4 154 B9R1.5 O=C1CCCCCC1Cl 5571AL [0,0,1,1,0,0|2,0,0]=4 155 B9R1.79 CCC(=O)OC1CNC1 2357AD [0,0,1,1,0,0|1,0,0]=3 156 B9R1.79 NCC(=O)NC1CCC1 4992AH [0,0,1,1,0,0|2,0,0]=4 157 B9R1.80 O=C(CCl)NCC1CC1 4816AE [0,0,1,1,0,0|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 CC(=O)C1CCCNC1 9444AH [0,0,1,1,0,0|2,0,0]=4 161 B9R1.6 CC(=O)C1CCCNC1 9970AH [0,0,1,1,0,0|2,0,0]=4 162 B9R1.6 CC(=O)C1CCNCC1 W5306 [0,0,1,1,0,0|2,0,0]=4 163 B9R1.6 N=C(N)C1CCCCC1 9640AJ [0,0,1,1,0,0|2,0,0]=4 164 B9R1.6 NC(=O)C1CCCNC1 0236AF [0,0,1,1,0,0|2,0,0]=4 165 B9R1.6 NC(=O)C1CCCOC1 6295AD [0,0,1,1,0,0|2,0,0]=4 166 B9R1.6 O=C(Cl)N1CCCCC1 0709AQ [0,0,1,1,0,0|2,0,0]=4 167 B9R1.6 O=C(O)C1CCCNC1 8993AB [0,0,1,1,0,0|1,0,0]=3 168 B9R1.6 O=C(O)C1CCSCN1 6491AE [0,0,1,1,0,0|2,0,0]=4 169 B9R1.6 O=C(O)C1CNCCO1 W9016 [0,0,1,1,0,0|2,0,0]=4 170 B9R1.6 O=C(O)C1COCCN1 W7764 [0,0,1,1,0,0|2,0,0]=4 171 B9R1.6 O=C(O)[C@@H]1COCCN1 X8814 [0,0,1,1,0,0|2,0,0]=4 172 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [0,0,1,1,0,0|2,0,0]=4 173 B9R1.83 CCCCCCC1CO1 4467AL [0,0,1,1,0,0|1,0,1]=4 174 B9R1.84 O=[N+]([O-])CCC1CCC1 0886AA [0,0,1,1,0,0|1,0,1]=4 175 B9R2.39 BrC1=CC2CCC1C2 V7347 [1,0,0,1,0,0|2,0,0]=4 176 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 W8358 [1,0,0,1,0,0|1,0,0]=3 177 B9R2.2 C1CNC(C2CC2)C1 1687AJ [1,0,0,1,0,0|1,0,1]=4 178 B9R2.173 C1CC2(C1)CCNC2 3428AJ [1,0,0,1,0,0|2,0,0]=4 179 B9R2.138 O=C1CC2(CCC2)C1 4503AJ [0,0,0,1,1,0|1,0,0]=3 180 B11R2.106 [C@@H]12CCCN1C(=O)CNC2 9218AH [0,0,0,1,0,1|1,0,0]=3 181 B11R2.106 [C@H]12CCCN1C(=O)CNC2 9040AH [0,0,0,1,0,1|1,0,0]=3 182 B11R2.106 [C@H]12CCCN1C(=O)CNC2 9041AH [0,0,0,1,0,1|1,0,0]=3 183 B11R2.678 O=C1CC2CCCC(C1)N2 V7504 [0,0,0,1,0,1|1,0,0]=3 184 B11R2.678 [C@H]12CCC[C@H](CC(=O)C1)N2 3651AE [0,0,0,1,0,1|1,0,0]=3 185 B11R2.1 O=C1CCC2CNCCN12 X9220 [0,1,0,1,0,0|1,0,0]=3 186 B11R2.748 O=C1CC2(CCCC2)CN1 9285AE [0,1,0,1,0,0|2,0,0]=4 187 B11R2.748 O=C1CC2(CCNC2)CN1 4302AA [0,1,0,1,0,0|2,0,0]=4 188 B11R2.748 O=C1CSC2(CCCC2)N1 8802AE [0,1,0,1,0,0|2,0,0]=4 189 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [0,0,1,0,1,0|2,0,0]=4 190 B7R0.5 CCNC(C)C(N)=O 7697AD [0,0,1,0,1,0|2,0,0]=4 191 B7R0.5 CCSC(C)C(=O)O 6924AD [0,0,1,0,1,0|2,0,0]=4 192 B7R1.10 O=C1CC(CCl)C1 2253AL [1,0,0,0,1,0|2,0,0]=4 193 B7R1.10 O=C1CC(CO)C1 9616AA [1,0,0,0,1,0|2,0,0]=4 194 B7R1.6 CNCC1CCC1 3149AD [1,0,0,0,1,0|1,0,1]=4