0 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 C#CCCC(=O)OC MC424002 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.3 COC(=O)CCC=O MC21172 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.3 COC(=O)CCCBr MC427387 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.3 COC(=O)CCCN MC439309 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.3 COCCC(=O)NN MC111753 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 CC#CCOC(C)=O MC434061 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 CC(=O)CCCCBr CS10627 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 CCCCCC(C)O CS21570 [1,0,0,0,0,0|0,0,3]=4 23 B7R0.4 CCCOCC(=O)O MC425744 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,0,0,0,0|0,0,1]=2 25 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 NCCCCC(=O)O MC428108 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 O=C(O)CCCCBr MC41866 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.5 CCCC(N)C(=O)O CS10518 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.5 CCCC(N)C(=O)O CS17028 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.5 CCCC(N)C(=O)O MC439125 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.5 CCCC(N)C(N)=O MC438024 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.5 CCOC(=O)C(C)C CS11388 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.5 CCOC(=O)C(C)F MC439605 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.5 CCOC(=O)C(C)N CS15404 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.5 CCOC(=O)C(C)N MC436160 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.5 CCOC(=O)C(C)O CS20075 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.5 CCOC(=O)C(N)=S CS11392 [1,0,0,0,0,0|2,1,0]=4 40 B7R0.5 CNCC(=O)N(C)C MC438152 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.7 O=C(O)CCC(=O)C(=O)O CS14149 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,1,0,0,0,0|1,0,1]=3 44 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,1,0,0,0,0|1,0,1]=3 45 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.13 CCCCC(NC)C(=O)O MC435132 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.13 CCCCC(NC)C(=O)O MC435489 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.42 COC(=O)CC(=O)C(=O)O MC442592 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.47 C=C(C)C(=O)NCCCN CS11712 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,1,0,0,0,0|1,0,1]=3 54 B9R0.47 NCCCCC(N)C(=O)O CS18635 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.47 NCCCCC(N)C(=O)O CS18638 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.47 NCCCCC(N)C(=O)O CS19147 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.47 NCCCCC(N)C(=O)O CS19277 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.47 NCCCCC(N)C(=O)O MC20432 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.47 NCCCCC(N)C(=O)O MC435005 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.47 NCCCCC(N)C(=O)O MC439006 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.47 NCCCCC(N)C(N)=O MC437847 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.47 NCCCCC(N)C(N)=O MC437848 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.5 CN1CCCNCC1=O MC100103 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.5 NC1CCCCNC1=O CS15569 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.5 NC1CCCCNC1=O CS15816 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.5 NC1CCCCNC1=O MC425745 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,0,0,1,0,0|1,0,2]=4 68 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.6 CC(=O)N1CCNCC1 CS18512 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.6 O=C(Cl)C1=CCOCC1 MC106029 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.6 O=C(O)C1=CCOCC1 MC105969 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.40 CC1(C)COCCC1=O CS16380 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.95 CC(=O)N1CC(CO)C1 MC111767 [0,0,0,1,0,0|3,0,0]=4 86 B9R1.110 CN(C)C(=O)C1CNC1 MC113079 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.110 NC(C(=O)O)C1CCC1 MC444160 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.110 NC(C(=O)O)C1CCC1 MC444508 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.163 NC(=O)C1(N)CCCC1 CS18509 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.163 NC1(C(=O)O)CCCC1 CS18420 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.163 O=C(O)C1(F)CCCC1 MC443736 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.163 O=C(O)C1(O)CCCC1 CS20733 [0,0,0,1,0,0|1,0,2]=4 94 B6R0.1 CCCC(=O)NN CS22544 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.1 CCNC(=O)NC MC428152 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.1 CNC(=O)CCN MC112263 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.1 CNCC(=O)OC MC438154 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.1 COC(=O)CCBr CS18993 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.1 COC(=O)CCN CS22266 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.4 CC(=O)NCCCl MC33011 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.4 CO\C=C\C(C)=O MC33352 [2,0,0,0,0,0|1,0,1]=4 105 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.4 NCCCC(N)=O MC112262 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.4 O=C(Cl)CCCCl MC40450 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.6 COCCCC=O MC111975 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.3 CCC(=O)C(=O)O CS21626 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.3 O=C([O-])C(=O)CBr MC34359 [2,0,0,0,0,0|2,0,0]=4 112 B8R0.1 CCOC(=O)CCCO MC111642 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.3 CCCC(N)C(=O)OC MC438026 [1,1,0,0,0,0|1,0,0]=3 114 B8R0.3 COC(=O)C(Br)CCBr MC41887 [1,1,0,0,0,0|2,0,0]=4 115 B8R0.6 CCCCNC(=O)CCl CS11766 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.6 CCCSCC(=O)OC MC434048 [1,1,0,0,0,0|1,0,0]=3 117 B8R0.9 C=CC(=O)OCC(C)O CS21600 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.19 CCC(=O)CC(=O)CC CS22007 [1,1,0,0,0,0|0,0,2]=4 119 B8R0.19 CCC(=O)CC(=O)OC CS18389 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.19 COC(=O)CC(O)CCl CS18252 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.7 CSCCCCC(=O)O MC112374 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.7 NCCCCCC(=O)O CS13381 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.7 O=C(O)CCCCCBr CS18405 [1,1,0,0,0,0|1,0,1]=4 124 B10R0.19 CCCCC(=O)C(=O)OCC CS11379 [0,2,0,0,0,0|0,0,0]=2 125 B10R0.83 COC(=O)C(N)CCCCN MC437851 [0,2,0,0,0,0|1,0,1]=4 126 B10R0.88 CCCCC(NC=O)C(=O)O MC437644 [0,2,0,0,0,0|1,0,1]=4 127 B8R1.1 NCC1CNC(=O)C1 MC101927 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.1 NCC1CNC(=O)C1 MC105678 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.1 NCC1CNC(=O)C1 MC121239 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.1 O=C1CC(CF)CO1 MC10217 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.2 O=CC1=CCCOC1 CS10171 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.2 O=CC1CCCCC1 MC20143 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.3 C=C1CCC(C)CC1 MC105701 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.3 CN1CC=C(Br)CC1 MC425142 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.3 CN1CCC(=O)CC1 CS18410 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.3 NC1CCC(=O)CC1 CS22583 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.3 NC1CCC(=O)NC1 MC113024 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.3 NC1CCC(=O)NC1 MC444382 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.3 O=C1CCC(O)CC1 CS22889 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.5 CC1CCNCC1=O MC105562 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.5 CC1CNCCC1=O MC106748 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.5 CC1COCCC1=O MC425868 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.5 CN1CCNCC1=O CS17040 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.5 CN1CCNCC1=O CS18390 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.5 O=C1CCCC=C1I MC106097 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.5 O=C1CCCCC1=O CS20486 [1,0,0,1,0,0|0,0,0]=2 147 B8R1.22 O=C1CCCNCC1 CS19096 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.22 O=C1CCNCCN1 CS18857 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.22 O=C1CCSCCN1 MC121122 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.38 COC(=O)C1CNC1 CS13402 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.38 COC(=O)C1COC1 MC100370 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [1,0,0,1,0,0|0,0,2]=4 153 B8R1.83 COC(=O)C1CC1Br MC430638 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|1,0,1]=4 157 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.4 CN1CCC=C(Br)C1 MC100076 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.4 CN1CCNC(=O)C1 CS13438 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.4 CN1CCOC(=O)C1 CS17566 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|0,0,1]=3 166 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|0,0,1]=3 167 B8R1.34 CC(=O)C=C1COC1 MC425334 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.34 CC(=O)SC1CNC1 MC103969 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.34 O=C(O)CC1CCC1 CS11177 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.35 O=C(O)CCC1CC1 CS19562 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [1,0,0,1,0,0|1,0,0]=3 172 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [1,0,0,1,0,0|1,0,0]=3 173 B10R1.61 CC(=O)C1CCCCC1=O CS21211 [0,0,0,1,0,1|0,0,0]=2 174 B10R1.61 NC(=O)C1CNCCC1=O MC115539 [0,0,0,1,0,1|2,0,0]=4 175 B10R1.130 O=C1NC(=O)C(CCBr)N1 MC116195 [0,0,0,1,0,1|2,0,0]=4 176 B10R1.23 CC(O)C(=O)N1CCCC1 MC41678 [0,1,0,1,0,0|0,0,2]=4 177 B10R1.23 CN(C)C(=O)C1CCCN1 MC438126 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.81 CN(C)C(=O)C1CC(O)C1 MC112046 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.13 CC(=O)N1CCC(N)CC1 CS13776 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.13 CC(=O)N1CCC(N)CC1 CS20412 [0,1,0,1,0,0|2,0,0]=4 181 B10R1.205 C=C(C)C(=O)OCC1CO1 MC440518 [0,1,0,1,0,0|2,0,0]=4 182 B10R1.15 COC(=O)C1=CCOCC1 MC113105 [0,1,0,1,0,0|2,0,0]=4 183 B10R1.15 COC(=O)C1CCCCC1 CS22810 [0,1,0,1,0,0|1,0,1]=4 184 B10R1.15 COC(=O)C1CCCCN1 CS14321 [0,1,0,1,0,0|1,0,1]=4 185 B10R1.15 COC(=O)C1CCCCN1 CS19622 [0,1,0,1,0,0|1,0,1]=4 186 B10R1.15 COC(=O)C1CCCCN1 CS19623 [0,1,0,1,0,0|1,0,1]=4 187 B10R1.15 NCC(=O)C1CCCCC1 MC103431 [0,1,0,1,0,0|1,0,1]=4 188 B10R1.176 CN1CCC(CN)CC1=O MC444323 [0,1,0,1,0,0|2,0,0]=4 189 B10R1.176 CN1CCC(CO)CC1=O MC112973 [0,1,0,1,0,0|2,0,0]=4 190 B10R1.176 NCC1CNC(=O)C(=O)N1 MC105923 [0,1,0,1,0,0|2,0,0]=4 191 B10R1.411 COC(=O)C1(N)CCCC1 CS15228 [0,1,0,1,0,0|1,0,1]=4 192 B10R1.262 CCOC1CC(=O)C1(C)C MC113181 [0,1,0,1,0,0|1,0,1]=4 193 B10R2.178 O=C1CCC2CCC1N2 MC105539 [0,0,0,2,0,0|1,0,1]=4 194 B10R0.78 CCCCC(=O)NCC(=O)O MC428130 [0,0,0,0,0,2|1,0,0]=3