0 B8R0.6 CCCSCC(=O)OC MC434048 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.3 C#CCCC(=O)OC MC424002 [1,0,0,0,0,0|0,0,3]=4 3 B7R0.3 COC(=O)CCC=O MC21172 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.3 COC(=O)CCCBr MC427387 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.3 COC(=O)CCCN MC439309 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.3 COC(=O)CN=[N+]=[N-] MC428311 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 COC(=O)\C=C\CBr CS13509 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.3 CO\C=C\C(=O)OC CS11630 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.4 CC(=O)CCCCBr CS10627 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CCCOCC(=O)O MC425744 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,0,0,0,0|0,0,3]=4 16 B7R0.4 NCCCCC(=O)O MC428108 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 NCCNCC(=O)O MC436179 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 O=C(O)CCCCBr MC41866 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.5 CCOC(=O)CCCCN CS14354 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.5 CCOC(=O)CNCCN MC436180 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,1,0,0,0,0|1,0,1]=3 24 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [0,1,0,0,0,0|0,0,2]=3 25 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,1,0,0,0,0|0,0,2]=3 26 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,1,0,0,0,0|1,0,2]=4 30 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,1,0,0,0,0|1,0,2]=4 31 B9R0.24 COC(=O)C#CC(=O)OC CS11256 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.24 COC(=O)CCS(=O)OC MC425069 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.24 COC(=O)CNC(=O)CN MC439205 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.24 COC(=O)NNC(=N)CCl MC100471 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,1,0,0,0,0|2,0,0]=3 39 B9R0.34 CCOC(=O)CC(=O)NN MC33013 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.34 COCC(=O)CC(=O)OC MC20562 [0,1,0,0,0,0|1,0,1]=3 41 B9R0.46 COC(=O)CCCCCN CS11662 [0,1,0,0,0,0|0,0,2]=3 42 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.3 CC1=C(C)C(=O)NC=C1 MC431551 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.5 CN1CCCNCC1=O MC100103 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,0,0,1,0,0|0,0,2]=3 47 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,0,0,1,0,0|1,0,2]=4 49 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,0,0,1,0,0|1,0,2]=4 50 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,0,0,1,0,0|0,0,2]=3 52 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.11 COC(=O)C1C=CCN1 MC436937 [0,0,0,1,0,0|1,0,0]=2 55 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,0,0,1,0,0|1,0,1]=3 56 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,0,0,1,0,0|1,0,1]=3 57 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,0,0,1,0,0|1,0,1]=3 58 B9R1.11 COC(=O)C1CCNC1 MC103933 [0,0,0,1,0,0|1,0,1]=3 59 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.79 COC(=O)C=C1COC1 MC444517 [0,0,0,1,0,0|1,0,2]=4 61 B9R1.79 COC(=O)CC1CNC1 MC113002 [0,0,0,1,0,0|1,0,2]=4 62 B9R1.79 COC(=O)CC1CNC1 MC444523 [0,0,0,1,0,0|1,0,2]=4 63 B9R1.81 COC(=O)C1CCC1N MC103768 [0,0,0,1,0,0|1,0,2]=4 64 B6R0.1 CCCC(=O)NN CS22544 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.1 CCNC(=O)NC MC428152 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.1 CNC(=O)CCN MC112263 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.1 CNCC(=O)OC MC438154 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.1 COC(=O)CC#N MC428339 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.1 COC(=O)CCBr CS18993 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.1 COC(=O)CCN CS22266 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.1 COC(=O)\C=C\I MC20613 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.1 C\C=C\C(=O)OC MC41953 [2,0,0,0,0,0|0,0,0]=2 73 B6R0.4 C=CCCC(=O)O CS15216 [2,0,0,0,0,0|0,0,2]=4 74 B6R0.4 C=C\C=C\C(=O)O CS12033 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.4 CO\C=C\C(C)=O MC33352 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|1,0,1]=4 81 B8R0.3 CCCC(N)C(=O)OC MC438026 [1,1,0,0,0,0|0,0,1]=3 82 B8R0.3 CCOC(=O)C(=O)CC CS13439 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.3 COC(=O)C(Br)CCBr MC41887 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.3 COC(=O)C(C)NC=O MC437638 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.3 CO\C=C(\I)C(=O)OC MC102977 [1,1,0,0,0,0|1,0,0]=3 86 B8R0.9 CNC(=O)CNC(C)=O MC436060 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.9 COC(=O)CCC(=O)O CS11694 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.19 CCC(=O)CC(=O)CC CS22007 [1,1,0,0,0,0|1,0,0]=3 89 B8R0.19 CCC(=O)CC(=O)OC CS18389 [1,1,0,0,0,0|0,0,0]=2 90 B8R0.19 COC(=O)CC(=O)CCl MC20592 [1,1,0,0,0,0|1,0,0]=3 91 B8R0.19 COC(=O)CC(O)CCl CS18252 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.5 CCOC(=O)CC(C)=O MC41905 [1,1,0,0,0,0|1,0,0]=3 94 B8R0.5 CCOC(=O)CC(N)=O CS18301 [1,1,0,0,0,0|2,0,0]=4 95 B10R0.59 COC(=O)CNCC(=O)OC CS18480 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.2 CCOC(=N)CC(=O)OCC CS19628 [0,2,0,0,0,0|1,0,0]=3 97 B10R0.2 CCOC(=O)CC(=O)COC MC418491 [0,2,0,0,0,0|1,0,0]=3 98 B10R0.2 CCOC(=O)CC(=O)OCC MC445194 [0,2,0,0,0,0|1,0,0]=3 99 B10R0.83 COC(=O)C(N)CCCCN MC437851 [0,2,0,0,0,0|0,0,2]=4 100 B10R0.108 CCOC(=O)CNC(=O)CN MC439365 [0,2,0,0,0,0|2,0,0]=4 101 B10R0.46 C=C(CC(=O)OC)C(=O)OC CS11257 [0,2,0,0,0,0|1,0,0]=3 102 B10R0.46 COC(=O)C(C)NC(=O)CN MC435039 [0,2,0,0,0,0|2,0,0]=4 103 B10R0.46 COC(=O)CC(N)C(=O)OC MC436272 [0,2,0,0,0,0|1,0,1]=4 104 B10R0.46 COC(=O)CC(N)C(=O)OC MC436273 [0,2,0,0,0,0|1,0,1]=4 105 B10R0.46 COC(=O)CC(N)C(=O)OC MC436274 [0,2,0,0,0,0|1,0,1]=4 106 B10R0.46 COC(=O)CC(O)C(=O)OC CS19201 [0,2,0,0,0,0|1,0,1]=4 107 B10R0.26 CCOC(=O)CC(=O)C(C)C CS20529 [0,2,0,0,0,0|2,0,0]=4 108 B10R0.74 COC(=O)CCCCCCN CS14288 [0,2,0,0,0,0|0,0,2]=4 109 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.1 O=C1CC(CF)CO1 MC10217 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.38 COC(=O)C1CNC1 CS13402 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.38 COC(=O)C1COC1 MC100370 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.83 COC(=O)C1CC1Br MC430638 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|0,0,2]=4 121 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|0,0,2]=4 122 B8R1.7 NC(=O)C1C=CCN1 MC436936 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.7 O=C(O)C1C=CCN1 MC436934 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.7 O=C(O)C1C=CCN1 MC436935 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.7 O=C(O)C1CCCN1 CS18287 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.7 O=C(O)C1CCCN1 CS18742 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.7 O=C(O)C1CCCN1 CS22249 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.7 O=C(O)C1CCCO1 CS16192 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.7 O=C(O)C1CCCO1 CS18232 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.7 O=C(O)C1CCCO1 MC20393 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.7 O=C(O)C1CCNC1 CS18444 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.7 O=C(O)C1CCNC1 CS19637 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.7 O=C(O)C1CCOC1 CS19475 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.7 O=C(O)C1CCOC1 MC444586 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.34 O=C(O)CC1CCC1 CS11177 [1,0,0,1,0,0|0,0,2]=4 136 B8R1.35 O=C(O)CCC1CC1 CS19562 [1,0,0,1,0,0|0,0,2]=4 137 B10R1.14 COC(=O)C1CC(F)CN1 MC100237 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.14 COC(=O)C1CC(O)CN1 CS11437 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.14 COC(=O)C1CC(O)CN1 CS13094 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.14 COC(=O)C1CC(O)CN1 CS18459 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.14 COC(=O)C1CCC(=O)C1 MC104918 [0,1,0,1,0,0|0,0,1]=3 142 B10R1.14 COC(=O)C1CCC(=O)C1 MC105581 [0,1,0,1,0,0|0,0,1]=3 143 B10R1.14 COC(=O)C1CCC(=O)N1 CS14546 [0,1,0,1,0,0|1,0,0]=3 144 B10R1.14 COC(=O)C1CCC(=O)N1 CS15487 [0,1,0,1,0,0|1,0,0]=3 145 B10R1.14 COC(=O)C1CCC(N)C1 CS17586 [0,1,0,1,0,0|0,0,2]=4 146 B10R1.14 COC(=O)C1CCC(N)C1 MC105577 [0,1,0,1,0,0|0,0,2]=4 147 B10R1.14 COC(=O)C1CCC(N)C1 MC105578 [0,1,0,1,0,0|0,0,2]=4 148 B10R1.14 COC(=O)C1CCC(N)C1 MC105579 [0,1,0,1,0,0|0,0,2]=4 149 B10R1.14 COC(=O)C1CCC(N)C1 MC105580 [0,1,0,1,0,0|0,0,2]=4 150 B10R1.14 COC(=O)C1CNC(=O)C1 CS12232 [0,1,0,1,0,0|1,0,1]=4 151 B10R1.14 COC(=O)N1CCC(=O)C1 CS16708 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.11 CCOC(=O)C1CCNC1 CS13485 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.11 CCOC(=O)C1CCOC1 MC106751 [0,1,0,1,0,0|1,0,1]=4 154 B10R1.15 COC(=O)C1=CCOCC1 MC113105 [0,1,0,1,0,0|0,0,2]=4 155 B10R1.15 COC(=O)C1CCCCC1 CS22810 [0,1,0,1,0,0|0,0,2]=4 156 B10R1.15 COC(=O)C1CCCCN1 CS14321 [0,1,0,1,0,0|0,0,2]=4 157 B10R1.15 COC(=O)C1CCCCN1 CS19622 [0,1,0,1,0,0|0,0,2]=4 158 B10R1.15 COC(=O)C1CCCCN1 CS19623 [0,1,0,1,0,0|0,0,2]=4 159 B10R1.15 COC(=O)C1CCCNC1 CS15320 [0,1,0,1,0,0|0,0,2]=4 160 B10R1.15 COC(=O)C1CCCNC1 CS19621 [0,1,0,1,0,0|0,0,2]=4 161 B10R1.15 COC(=O)C1CCCOC1 CS14631 [0,1,0,1,0,0|0,0,2]=4 162 B10R1.15 COC(=O)C1CCOCC1 CS13506 [0,1,0,1,0,0|0,0,2]=4 163 B10R1.15 COC(=O)C1CNCCO1 CS15141 [0,1,0,1,0,0|1,0,1]=4 164 B10R1.15 COC(=O)C1CNCCO1 CS15369 [0,1,0,1,0,0|1,0,1]=4 165 B10R1.15 COC(=O)C1CNCCO1 MC444510 [0,1,0,1,0,0|1,0,1]=4 166 B10R1.15 COC(=O)C1CNCCO1 MC444511 [0,1,0,1,0,0|1,0,1]=4 167 B10R1.15 COC(=O)C1COCCN1 MC104286 [0,1,0,1,0,0|1,0,1]=4 168 B10R1.15 COC(=O)C1COCCN1 MC114879 [0,1,0,1,0,0|1,0,1]=4 169 B10R1.15 COC(=O)C1COCCN1 MC444512 [0,1,0,1,0,0|1,0,1]=4 170 B10R1.15 COC(=O)C1COCCN1 MC444560 [0,1,0,1,0,0|1,0,1]=4 171 B10R1.411 COC(=O)C1(C)CCOC1 MC104210 [0,1,0,1,0,0|1,0,1]=4 172 B10R1.411 COC(=O)C1(N)CCCC1 CS15228 [0,1,0,1,0,0|0,0,2]=4 173 B10R1.27 COC(=O)CC1=CNC=N1 MC431278 [0,1,0,1,0,0|1,0,1]=4 174 B10R1.27 COC(=O)CC1CCCN1 CS16363 [0,1,0,1,0,0|0,0,2]=4 175 B10R1.134 COC(=O)CC(=O)C1CC1 CS18976 [0,1,0,1,0,0|0,0,1]=3 176 B10R1.149 COC(=O)C1=C(C)C=CS1 MC20532 [0,1,0,1,0,0|0,0,2]=4 177 B10R1.149 COC(=O)C1=C(C)SC=C1 CS12807 [0,1,0,1,0,0|0,0,2]=4 178 B10R1.149 COC(=O)C1=CC=NN1C CS16991 [0,1,0,1,0,0|1,0,1]=4 179 B10R1.149 COC(=O)C1CCNC1=O CS16415 [0,1,0,1,0,0|1,0,0]=3 180 B10R1.149 COC(=O)C1CCOC1=O MC431311 [0,1,0,1,0,0|1,0,0]=3 181 B10R1.149 COC(=O)C1CSCC1=O MC429816 [0,1,0,1,0,0|1,0,1]=4 182 B10R1.149 COC(=O)C1NCCC1O MC104250 [0,1,0,1,0,0|1,0,1]=4 183 B10R1.149 COC(=O)C1NCCC1O MC104974 [0,1,0,1,0,0|1,0,1]=4 184 B10R1.149 COC(=O)C1NCCC1O MC104976 [0,1,0,1,0,0|1,0,1]=4 185 B10R1.149 COC(=O)C1SCCC1=O CS11632 [0,1,0,1,0,0|1,0,1]=4 186 B10R1.1 CCCC1CCC(=O)OC1 MC440473 [0,1,0,1,0,0|0,0,2]=4