0 B7R0.7 CCCC(C)CCC 6609AL [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCCC(O)CCC 6512AL [0,0,0,0,0,0|2,0,2]=4 2 B7R0.7 CCCC(S)CCO U459 [0,0,0,0,0,0|1,2,1]=4 3 B7R0.7 CCNC(=O)CC#N 4652AD [0,0,0,0,0,0|2,0,1]=3 4 B7R0.7 CCNC(=O)CCCl 3193AE [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCNC(C)CCO 9482AE [0,0,0,0,0,0|2,1,1]=4 6 B7R0.7 CCOC(=O)OCCl Z4637 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 CCOC(=O)\C=C\I V5131 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [0,0,0,0,0,0|0,1,2]=3 9 B7R0.7 CCOC(C)OCC U086 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.7 COCC(=O)COC 9752AA [0,0,0,0,0,0|4,0,0]=4 11 B7R0.7 O=C(CCO)CCO 5879AB [0,0,0,0,0,0|2,1,0]=3 12 B6R0.1 C=COC(=O)CC 7389AF [1,0,0,0,0,0|0,0,2]=3 13 B6R0.1 CCC(=O)CC#N 0486AE [1,0,0,0,0,0|1,0,1]=3 14 B6R0.1 CCNC(=O)CC 8553AL [1,0,0,0,0,0|1,0,0]=2 15 B6R0.1 CCOC(=O)CI 7240AF [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 CCOC(=O)NO 6247AE [1,0,0,0,0,0|1,1,0]=3 17 B6R0.1 CCOC(=O)OC 7884AL [1,0,0,0,0,0|1,0,0]=2 18 B6R0.1 CNC(=O)CCN 4757AE [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 COC(=O)C#CBr 1628AB [1,0,0,0,0,0|1,0,2]=4 20 B6R0.1 COC(=O)OCCl 0229AP [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 COC(=O)\C=C\I 9331AB [1,0,0,0,0,0|1,0,2]=4 22 B6R0.1 C\C=C\C(=O)CC 2730AL [1,0,0,0,0,0|1,0,1]=3 23 B6R0.6 CCC#CCCO 5338AH [1,0,0,0,0,0|1,1,1]=4 24 B6R0.6 CCCCSCC 7568AF [1,0,0,0,0,0|1,1,1]=4 25 B6R0.6 CCCNCCO 8316AA [1,0,0,0,0,0|2,1,0]=4 26 B6R0.6 SCCCCCS 7344AF [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 SCCOCCS 5152AL [1,0,0,0,0,0|3,0,0]=4 28 B8R0.1 C=CCCC(=O)OCC 7864AL [0,1,0,0,0,0|1,0,0]=2 29 B8R0.1 C=CCOC(=O)OCC 7327AL [0,1,0,0,0,0|1,0,1]=3 30 B8R0.1 CCCOC(=O)CCC 9026AJ [0,1,0,0,0,0|1,0,0]=2 31 B8R0.1 CCOC(=O)CCC#N 7342AC [0,1,0,0,0,0|1,0,0]=2 32 B8R0.1 CCOC(=O)CCCI 1537AC [0,1,0,0,0,0|1,0,0]=2 33 B8R0.1 CCOC(=O)CCNC 7579AD [0,1,0,0,0,0|1,0,0]=2 34 B8R0.1 CCOC(=O)NCCCl S838 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.1 CCOC(=O)\C=C\C=O Z4570 [0,1,0,0,0,0|0,1,2]=4 36 B8R0.1 N#CCC(=O)NCCO 4656AD [0,1,0,0,0,0|2,0,1]=4 37 B8R0.3 CCCC(=O)C(=O)OC 8222AL [0,1,0,0,0,0|3,0,0]=4 38 B8R0.3 CCCC(=O)N(C)OC 1862AA [0,1,0,0,0,0|3,0,0]=4 39 B8R0.3 CCOC(=O)C(=O)CC W3459 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.3 CCOC(=O)C(C)CN X7010 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.3 CCOC(=O)C(Cl)CCl 7382AF [0,1,0,0,0,0|1,0,0]=2 42 B8R0.3 CCOC(=O)C(Cl)CCl X7347 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.3 CCOC(=O)C(N)C#N X3969 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.3 CCOC(=O)C(O)CC 5067AH [0,1,0,0,0,0|1,0,0]=2 45 B8R0.5 CC(C)NC(=O)CCCl 7774AD [0,1,0,0,0,0|2,0,0]=3 46 B8R0.5 CC(C)OC(=O)CCS 6074AL [0,1,0,0,0,0|0,0,0]=1 47 B8R0.5 CCOC(=O)CC(=N)N W7089 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.5 CCOC(=O)CC(C)N W6751 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.5 CCOC(=O)CC(N)=S 6448AA [0,1,0,0,0,0|0,0,2]=3 50 B8R0.30 CCOP(=O)([O-])OCC 7685AJ [0,1,0,0,0,0|3,0,0]=4 51 B8R0.30 CCOP(N)(=O)OCC X7317 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.4 CC1CC(=O)CCN1 6568AA [0,0,0,1,0,0|2,0,0]=3 53 B8R1.4 CC1CC(=O)CCO1 3309AA [0,0,0,1,0,0|1,1,0]=3 54 B8R1.4 CC1CC(O)CCO1 1817AJ [0,0,0,1,0,0|1,1,1]=4 55 B8R1.4 CC1CCNC(=N)C1 1356AH [0,0,0,1,0,0|3,0,0]=4 56 B8R1.4 CN1CCOC(=O)C1 9637AA [0,0,0,1,0,0|2,0,0]=3 57 B8R1.4 O=C1CC(O)CCN1 V1296 [0,0,0,1,0,0|1,1,0]=3 58 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,0,0,1,0,0|1,1,0]=3 59 B8R1.11 CCC1CCCC1=O 6742AB [0,0,0,1,0,0|2,0,0]=3 60 B8R1.11 N#CC1CCCC1=O U935 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.18 N[C@@H]1CC(=O)OC1=O W3122 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.22 O=C1C=CCCCC1 X8995 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.22 O=C1CCOCCN1 0717AP [0,0,0,1,0,0|1,1,0]=3 64 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,1,0,0|0,1,0]=2 65 B8R1.37 CCOC(=N)C1CC1 9615AB [0,0,0,1,0,0|2,0,0]=3 66 B5R0.1 C=C(C)CCBr Z4377 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 C=C(C)CCC 5700AL [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 CNCC(=O)O 9764AB [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|1,0,0]=3 70 B5R0.1 COCC(C)=O U020 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 CSCC(C)=O Y1373 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.1 NCCC(N)=O 6432AB [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 NCCS(=O)O 0301AQ [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 O=C(O)CCI 7031AF [2,0,0,0,0,0|1,0,0]=3 75 B5R0.2 CC\C=C/CC 7431AL [2,0,0,0,0,0|1,0,0]=3 76 B5R0.2 CC\C=C/CO 3214AL [2,0,0,0,0,0|0,1,1]=4 77 B5R0.2 CC\C=C\CC 3771AD [2,0,0,0,0,0|1,0,0]=3 78 B5R0.3 CCC(=O)NC 7273AF [2,0,0,0,0,0|1,0,0]=3 79 B5R0.3 CCC(=O)NN 6023AE [2,0,0,0,0,0|2,0,0]=4 80 B5R0.3 CCC(C)CC 6117AL [2,0,0,0,0,0|1,0,1]=4 81 B5R0.3 CCN(C)CC 7490AH [2,0,0,0,0,0|2,0,0]=4 82 B5R0.3 COS(=O)OC 6871AF [2,0,0,0,0,0|2,0,0]=4 83 B7R0.2 CC(C)NC(=O)CN 6712AE [1,1,0,0,0,0|2,0,0]=4 84 B7R0.2 CC(C)OC(=O)CN Y6052 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.2 CCC(=O)CC(C)C 9385AB [1,1,0,0,0,0|1,0,0]=3 86 B7R0.2 CCC(=O)OC(C)C 7522AF [1,1,0,0,0,0|0,0,0]=2 87 B7R0.2 COC(=O)CC(C)C 8842AJ [1,1,0,0,0,0|1,0,0]=3 88 B7R0.2 COC(=O)CN(C)C X7323 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.3 C=CCOC(=O)OC Z3261 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.3 CCCCC(=O)CC 7786AF [1,1,0,0,0,0|1,0,0]=3 91 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.3 CCCOC(=O)CBr U694 [1,1,0,0,0,0|1,0,0]=3 93 B7R0.3 CCCOC(=O)CC 7524AF [1,1,0,0,0,0|0,0,0]=2 94 B7R0.3 COC(=O)CCCN 3563AL [1,1,0,0,0,0|1,0,0]=3 95 B7R0.3 COC(=O)CN=C=S 7159AD [1,1,0,0,0,0|0,0,2]=4 96 B7R0.3 COC(=O)CNC=O 3413AB [1,1,0,0,0,0|0,1,1]=4 97 B7R0.5 CC(C)C(=O)CC#N W5204 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.5 CCOC(=O)C(Cl)Cl 7192AF [1,1,0,0,0,0|1,0,0]=3 99 B7R0.5 CCOC(=O)C(F)Cl 2611AE [1,1,0,0,0,0|1,0,0]=3 100 B7R0.5 CCOC(=O)C(F)I 2612AE [1,1,0,0,0,0|1,0,0]=3 101 B7R0.10 C=C(CO)C(=O)OC X7006 [1,1,0,0,0,0|0,1,1]=4 102 B7R0.10 C=CC(O)C(=O)OC 7788AL [1,1,0,0,0,0|1,0,1]=4 103 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [1,1,0,0,0,0|1,0,0]=3 104 B7R0.10 CNC(C)C(=O)OC 4207AJ [1,1,0,0,0,0|2,0,0]=4 105 B7R0.10 CN[C@@H](C)C(=O)OC V5398 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.10 COC(=O)C(=O)CBr S720 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.10 COC(=O)C(C)OC X3976 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [1,1,0,0,0,0|1,0,0]=3 109 B7R0.10 COC(=O)[C@@H](O)CO X8639 [1,1,0,0,0,0|0,1,0]=3 110 B7R0.10 COC(=O)[C@H](C)CBr 4182AL [1,1,0,0,0,0|1,0,0]=3 111 B7R0.10 COC(=O)[C@H](C)CO X3275 [1,1,0,0,0,0|0,1,0]=3 112 B7R0.10 COC(=O)[C@H](N)CCl 2170AA [1,1,0,0,0,0|1,0,0]=3 113 B7R0.10 COC(=O)[C@H](N)CS 8434AE [1,1,0,0,0,0|0,0,0]=2 114 B7R0.10 COC(=O)[C@H](O)CO 9042AH [1,1,0,0,0,0|0,1,0]=3 115 B7R0.10 O=C(CO)[C@@H](O)CO 8755AJ [1,1,0,0,0,0|1,1,0]=4 116 B7R0.11 CCS(=O)(=O)CCCl 8368AD [1,1,0,0,0,0|2,0,0]=4 117 B7R0.12 CCN(CCO)N=O 8548AL [1,1,0,0,0,0|1,1,0]=4 118 B7R0.1 CCC\C=C/CCC 7451AL [1,1,0,0,0,0|2,0,0]=4 119 B7R0.1 CC\C=C/CCCO 7447AL [1,1,0,0,0,0|1,1,0]=4 120 B9R0.5 CCOC(=O)COCCCl W3753 [0,2,0,0,0,0|1,0,0]=3 121 B9R0.5 CCOC(=O)N\N=C\CCl 6833AE [0,2,0,0,0,0|1,0,1]=4 122 B9R0.5 COCCOC(=O)CC#N I778 [0,2,0,0,0,0|1,0,1]=4 123 B9R0.8 CCCOC(=O)C(C)CC 4721AB [0,2,0,0,0,0|1,0,0]=3 124 B9R0.18 CCCOS(=O)OCCC 7736AL [0,2,0,0,0,0|2,0,0]=4 125 B9R0.18 O=C(NCCCl)NCCCl Z2248 [0,2,0,0,0,0|2,0,0]=4 126 B9R0.34 CCOC(=O)CC(=O)NN 3274AB [0,2,0,0,0,0|0,1,1]=4 127 B9R0.34 CCOC(=O)CC(=O)NN 9988AL [0,2,0,0,0,0|0,1,1]=4 128 B9R0.34 CCOC(=O)CC(N)=NO 2279AF [0,2,0,0,0,0|0,1,1]=4 129 B9R0.34 CCOC(=O)CC(O)CCl X6126 [0,2,0,0,0,0|0,1,0]=3 130 B9R0.35 CCCC(=O)C(O)CCC 6732AB [0,2,0,0,0,0|2,0,0]=4 131 B9R0.35 CCOC(=N)C(=O)OCC Z5154 [0,2,0,0,0,0|1,0,1]=4 132 B9R0.35 CCOC(=O)C(=O)CC#N Y1142 [0,2,0,0,0,0|1,0,1]=4 133 B9R0.48 CCOC(=O)CCC(C)C 6706AH [0,2,0,0,0,0|1,0,0]=3 134 B9R0.48 CCOC(=O)CCC(N)=O 3830AL [0,2,0,0,0,0|0,1,0]=3 135 B9R0.6 CCOC(=O)C(=O)C(C)Br 5871AE [0,2,0,0,0,0|1,0,1]=4 136 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] 8440AD [0,2,0,0,0,0|1,1,0]=4 137 B9R0.6 CCOC(=O)C(N)C(C)=O W4269 [0,2,0,0,0,0|0,1,1]=4 138 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O 5285AB [0,2,0,0,0,0|0,1,0]=3 139 B9R0.19 CCOC(=O)C(C)(C)CN 4058AJ [0,2,0,0,0,0|1,0,0]=3 140 B9R0.19 CCOC(=O)C(C)(C)CN V7825 [0,2,0,0,0,0|1,0,0]=3 141 B9R0.19 CCOC(=O)C(C)(C)CO W3060 [0,2,0,0,0,0|0,1,0]=3 142 B9R0.19 CCOC(=O)C(F)(F)CBr X0330 [0,2,0,0,0,0|1,0,0]=3 143 B9R0.37 CCN(CC)C(=O)CCN 0892AE [0,2,0,0,0,0|2,0,0]=4 144 B9R0.37 CCOC(=O)C(C#N)CC 8192AA [0,2,0,0,0,0|1,0,0]=3 145 B9R0.37 CCOC(=O)C(CBr)CBr 8678AB [0,2,0,0,0,0|1,0,0]=3 146 B9R0.44 CC(C)(C)NC(=O)CCCl 7283AC [0,2,0,0,0,0|2,0,0]=4 147 B9R0.44 CC(C)(C)OC(=O)CON W7044 [0,2,0,0,0,0|2,0,0]=4 148 B9R0.44 CCNC(=O)OC(C)(C)C V5615 [0,2,0,0,0,0|2,0,0]=4 149 B9R0.44 CCOC(=O)CC(C)(C)C 3423AL [0,2,0,0,0,0|1,0,0]=3 150 B9R0.44 CCOC(=O)CC(C)(C)N W8811 [0,2,0,0,0,0|1,0,0]=3 151 B9R0.53 CC(C)CC(=O)CC(C)C 1756AA [0,2,0,0,0,0|2,0,0]=4 152 B7R1.1 CCC1=NCCN1 5611AL [1,0,0,1,0,0|2,0,0]=4 153 B7R1.1 COC1=NCCC1 7443AB [1,0,0,1,0,0|2,0,0]=4 154 B7R1.2 CC1CCC(=O)N1 1659AA [1,0,0,1,0,0|1,0,0]=3 155 B7R1.2 CC1COC(=O)N1 5156AD [1,0,0,1,0,0|2,0,0]=4 156 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [1,0,0,1,0,0|2,0,0]=4 157 B7R1.2 C[C@H]1COC(=O)N1 5440AB [1,0,0,1,0,0|2,0,0]=4 158 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.3 NC1CCSCC1 W4711 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.3 O=C1CCCNC1 7001AB [1,0,0,1,0,0|2,0,0]=4 161 B7R1.3 O=C1CCCSC1 Z4344 [1,0,0,1,0,0|1,0,0]=3 162 B7R1.3 O=C1CCNCC1 5781AB [1,0,0,1,0,0|1,0,0]=3 163 B7R1.3 O=C1COCCO1 3182AB [1,0,0,1,0,0|0,1,0]=3 164 B7R1.3 OC1CCSCC1 W5218 [1,0,0,1,0,0|0,0,2]=4 165 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.4 CC1CCOC1=O W3659 [1,0,0,1,0,0|0,0,0]=2 167 B7R1.4 CC1CSCC1=O 6972AB [1,0,0,1,0,0|2,0,0]=4 168 B7R1.4 CC1SCCC1=O 6512AA [1,0,0,1,0,0|0,0,0]=2 169 B7R1.4 NC1CCNC1=O 0020AD [1,0,0,1,0,0|2,0,0]=4 170 B7R1.4 O=C1OCCC1O 0071AB [1,0,0,1,0,0|0,1,0]=3 171 B7R1.4 O=C1OCC[C@H]1O 8329AB [1,0,0,1,0,0|0,1,0]=3 172 B7R1.22 [C@@H]1(C(=O)OC)CO1 4453AH [1,0,0,1,0,0|0,1,0]=3 173 B9R1.2 CCC1CCCC(=O)C1 7677AD [0,1,0,1,0,0|2,0,0]=4 174 B9R1.15 CCN1CCNCC1=O Y9576 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.33 NCCN1CCCC1=O 1932AB [0,1,0,1,0,0|2,0,0]=4 176 B9R1.33 O=C1CCCN1CCCl 7142AB [0,1,0,1,0,0|2,0,0]=4 177 B9R1.33 O=C1NCCN1CCCl W4752 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.33 O=C1OCCN1CCO 0596AE [0,1,0,1,0,0|0,1,0]=3 179 B9R1.48 O=C1CCCCC(=O)O1 0435AB [0,1,0,1,0,0|1,0,1]=4 180 B9R1.49 CN1CCNC(=O)CC1 3270AC [0,1,0,1,0,0|2,0,0]=4 181 B9R1.49 CN1CCNC(=O)CC1 W6867 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.73 CCOC(=O)C1CCC1 V0726 [0,1,0,1,0,0|1,0,0]=3 183 B9R1.73 CCOC(=O)C1CNC1 W6099 [0,1,0,1,0,0|1,0,0]=3 184 B9R1.5 NC1CCCCNC1=O W5198 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.5 N[C@@H]1CCCCNC1=O 2227AB [0,1,0,1,0,0|2,0,0]=4 186 B9R1.5 N[C@@H]1CCCCNC1=O W5158 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.5 N[C@H]1CCCCNC1=O V2119 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.74 CCOC(=O)C1(C)CC1 W8035 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [0,1,0,1,0,0|1,1,0]=4 190 B9R1.34 CC1CC(=O)OC(=O)C1 6113AL [0,1,0,1,0,0|1,0,1]=4 191 B9R1.66 CC1(C)CC(=O)CCO1 V2429 [0,1,0,1,0,0|1,1,0]=4 192 B9R1.66 CC1(O)CCOC(=O)C1 I616 [0,1,0,1,0,0|0,1,0]=3 193 B9R2.109 O=C1CCCC2OC12 7860AE [0,0,0,2,0,0|1,1,0]=4