0 B10R1.34 CCC1OC(=C(C1=O)O)C MCULE-2986128683 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.34 CCC1OC(=O)C(=C1C)O MCULE-6771374122 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.34 CCN1N=C(C(=C1C)Br)C MCULE-7494723606 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.34 CCN1N=C(C(=C1C)Br)N MCULE-9382584506 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.34 CCN1N=C(C(=C1C)Cl)C MCULE-7275687012 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.34 CCN1N=C(C(=C1C)Cl)N MCULE-9496444453 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.34 CCN1N=C(C(=C1C)I)N MCULE-8065291975 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.34 CCN1N=C(C(=C1C)N)C MCULE-3065592845 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.34 CCN1N=C(C(=C1C)N)C MCULE-8000225330 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.34 CCN1N=C(C(=C1C)N)N MCULE-2633881819 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.34 CCN1N=C(C(=C1C)N)N MCULE-2731645467 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.34 O=C1OC(C(C1O)O)CO MCULE-4992937478 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-4238222743 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-8746085882 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-1302555586 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-6947519194 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO MCULE-3419728176 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-1946078293 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-4119913524 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-7655191062 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.34 O=C1O[C@H]([C@@H]([C@@H]1O)O)CO MCULE-9668504351 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2196473829 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2293188422 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-7094668506 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-8957458384 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.34 [NH3+]CC1OC(=O)C(=C1Br)Br MCULE-3288590243 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.34 [NH3+]CC1OC(=O)C(=C1Br)Br MCULE-3501325867 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.22 CC1=C(OC(=O)O1)CBr MCULE-7713962882 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.22 CC1=C(OC(=O)O1)CCl MCULE-7523090142 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.22 CC1=C(OC(=O)O1)CI MCULE-8507894573 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.22 CC1=C(OC(=O)O1)CO MCULE-9391603467 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.22 CCC1=C(NC(=O)N1)C MCULE-1852773802 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.22 CCC1NC(=O)NC1=O MCULE-7573161756 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.22 CCN1N=C(C=C1C)Br MCULE-7045553855 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.22 CCN1N=C(C=C1C)C MCULE-8661344525 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.22 CCN1N=C(C=C1C)I MCULE-6429182315 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.22 CCN1N=C(C=C1C)N MCULE-7045780395 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.22 CC[C@@H]1NC(=O)OC1=O MCULE-8362688943 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.22 CC[C@H]1NC(=O)OC1=O MCULE-2218316523 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.23 CCN1C=C(C(=N1)C)O MCULE-5156835942 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.37 CC1=C(C(=O)C(O1)C)O MCULE-3813239281 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.37 CC1=C(C(=O)CC1C)O MCULE-3677110376 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.37 CC1=C(C(=O)OC1=O)Br MCULE-4236448899 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.37 CC1=C(C(=O)OC1=O)C MCULE-9372782914 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.37 CC1=C(C(=O)OC1C)O MCULE-8685541679 [1,0,0,0,0,0|0,0,0]=1 45 B9R1.37 CC1=C(C(OC1=O)C)C MCULE-1587463592 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.37 CC1=C(C(OC1=O)C)O MCULE-9804613276 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.37 CC1=C(C(OC1=O)O)C MCULE-1024110805 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.37 CC1=NN(C(=C1O)C)C MCULE-5380730147 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.37 CC1CC(=O)C(=O)C1C MCULE-1553900326 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.37 CC1OC(=O)C(=C1O)O MCULE-5304828877 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1I)O MCULE-8523724511 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.37 O=C1OC(C(=C1Br)Br)O MCULE-1785312425 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.37 O=C1OC(C(=C1Cl)Cl)Cl MCULE-9081854887 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.37 O=C1OC(C(=C1Cl)Cl)O MCULE-4956836836 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.132 CCN1N=CC(=C1C)Br MCULE-6680504938 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.132 CCN1N=CC(=C1C)Cl MCULE-3468403670 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.132 CCN1N=CC(=C1C)I MCULE-1806526933 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.132 CCN1N=CC(=C1C)N MCULE-1923546681 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.132 CCN1N=CC(=C1C)N MCULE-5608335799 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.132 CCN1N=CC(=C1C)N MCULE-9649225025 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.132 CCN1N=CC(=C1C)O MCULE-2415979635 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.186 CC=C[C@H]1OC(=O)C(=C1O)C MCULE-3805151299 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.186 CCCN1N=C(C(=C1C)O)C MCULE-5324828153 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.419 CC1=C(C(OC1=O)(C)CO)O MCULE-7737989964 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.419 CC[C@@]1(OC(=O)N(C1=O)C)C MCULE-5441814919 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.419 CC[C@@]1(OC(=O)N(C1=O)C)C MCULE-9664978042 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.470 CCC1C(=C(C(=C1C)C)C)C MCULE-9928471748 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.672 CC1=NN(C(=C1O)C)C(C)C MCULE-9908903601 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.672 C[C@H](O)[C@H]1OC(=O)[C@H]([C@@H]1O)O MCULE-7572552589 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.978 CCN1N=C(C(=C1C)CO)C MCULE-1568960891 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,0,1,0,0,0|1,0,2]=4 74 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,0,1,0,0,0|1,0,2]=4 75 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,0,1,0,0,0|1,0,2]=4 76 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,0,1,0,0,0|1,0,2]=4 77 B9R0.8 C=CC(O)C(=O)OCCC MCULE-8001887534 [0,0,1,0,0,0|0,0,2]=3 78 B9R0.8 C=CCOC(=O)/C(=C/C)/C MCULE-9167397100 [0,0,1,0,0,0|1,0,2]=4 79 B9R0.8 C=CCOC(=O)C(=CC)C MCULE-4423273787 [0,0,1,0,0,0|1,0,2]=4 80 B9R0.8 CCCOC(=O)C(C)CC MCULE-6816621931 [0,0,1,0,0,0|1,0,2]=4 81 B9R0.8 CCCOC(=O)C(Cl)CC MCULE-4551358042 [0,0,1,0,0,0|1,0,2]=4 82 B9R0.8 CCCOC(=O)C(O)CO MCULE-8417972941 [0,0,1,0,0,0|1,0,2]=4 83 B9R1.28 COC1=C(C(=O)C1=O)C MCULE-7904850595 [0,0,0,0,1,0|1,0,2]=4 84 B11R1.8 CCC1=NC(=NC(=C1C)O)N MCULE-7952536387 [0,0,0,0,0,1|2,0,1]=4 85 B11R1.8 CCC1=NC(=NC(=C1C)O)S MCULE-3068396490 [0,0,0,0,0,1|1,1,1]=4 86 B11R1.14 CCC1=CC(=C(C(=C1)C)O)C MCULE-2101701551 [0,0,0,0,0,1|2,0,1]=4 87 B11R1.14 CCC1=CC(=C(C(=O)O1)C)O MCULE-4504114315 [0,0,0,0,0,1|2,0,1]=4 88 B11R1.14 CCC1=NC(=C(C(=O)N1)Cl)C MCULE-4997415241 [0,0,0,0,0,1|2,0,1]=4 89 B11R1.278 CCN1C=CC(=O)C(=C1C)O MCULE-4438119148 [0,0,0,0,0,1|2,0,0]=3 90 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [1,0,1,0,0,0|0,0,2]=4 91 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [1,0,1,0,0,0|1,0,1]=4 92 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [1,0,1,0,0,0|0,0,2]=4 93 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [1,0,1,0,0,0|0,0,1]=3 94 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [1,0,1,0,0,0|1,0,1]=4 95 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [1,0,1,0,0,0|1,0,1]=4 96 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [1,0,1,0,0,0|1,0,1]=4 97 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [1,0,1,0,0,0|1,0,1]=4 98 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [1,0,1,0,0,0|1,0,1]=4 99 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [1,0,1,0,0,0|1,0,1]=4 100 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [1,0,1,0,0,0|0,0,2]=4 101 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [1,0,1,0,0,0|0,0,2]=4 102 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [1,0,1,0,0,0|0,0,2]=4 103 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [1,0,1,0,0,0|0,0,2]=4 104 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [1,0,1,0,0,0|1,0,1]=4 105 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [1,0,1,0,0,0|1,0,1]=4 106 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [1,0,1,0,0,0|1,0,1]=4 107 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [1,0,1,0,0,0|1,0,1]=4 108 B8R0.3 C/C=C(\C)/C(=O)OCC MCULE-1104279471 [1,0,1,0,0,0|1,0,0]=3 109 B8R0.3 C=C(CC)C(=O)OCC MCULE-9081813283 [1,0,1,0,0,0|1,0,1]=4 110 B8R0.3 C=CC(=O)C(=O)OCC MCULE-1301231078 [1,0,1,0,0,0|0,0,2]=4 111 B8R0.3 C=CC(O)C(=O)OCC MCULE-6322032023 [1,0,1,0,0,0|0,0,2]=4 112 B8R0.3 CC=C(C)C(=O)OCC MCULE-1202888826 [1,0,1,0,0,0|1,0,0]=3 113 B8R0.3 CCCC(=O)C(=O)OC MCULE-5789275467 [1,0,1,0,0,0|1,0,1]=4 114 B8R0.3 CCOC(=O)/C(=C/O)/Cl MCULE-5353637265 [1,0,1,0,0,0|2,0,0]=4 115 B8R0.3 CCOC(=O)/C(=C/[O-])/Cl MCULE-1667116837 [1,0,1,0,0,0|2,0,0]=4 116 B8R0.3 CCOC(=O)C(=N)SC MCULE-1399563180 [1,0,1,0,0,0|2,0,0]=4 117 B8R0.3 CCOC(=O)C(=NC)Cl MCULE-1326218878 [1,0,1,0,0,0|2,0,0]=4 118 B8R0.3 CCOC(=O)C(=O)CC MCULE-6268795804 [1,0,1,0,0,0|0,0,2]=4 119 B8R0.3 CCOC(=O)C(=O)NC MCULE-7000353340 [1,0,1,0,0,0|1,0,1]=4 120 B8R0.3 CCOC(=O)C(O)CC MCULE-7418568069 [1,0,1,0,0,0|0,0,2]=4 121 B8R0.3 CCOC(=O)[C@@H](O)CC MCULE-5702747043 [1,0,1,0,0,0|0,0,2]=4 122 B8R0.3 CCOC(=O)[C@@H](O)CC MCULE-6151562245 [1,0,1,0,0,0|0,0,2]=4 123 B8R0.3 CCOC(=O)[C@H](O)CC MCULE-8200594440 [1,0,1,0,0,0|0,0,2]=4 124 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [1,0,1,0,0,0|0,0,2]=4 125 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [1,0,1,0,0,0|0,0,0]=2 126 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [1,0,1,0,0,0|0,0,0]=2 127 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [1,0,1,0,0,0|1,0,1]=4 128 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,0,1,0,0,0|0,0,2]=4 129 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [1,0,1,0,0,0|1,0,1]=4 130 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [1,0,1,0,0,0|1,0,1]=4 131 B8R0.5 CCNC(=CC(=O)C)C MCULE-8804688598 [1,0,1,0,0,0|2,0,0]=4 132 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [1,0,1,0,0,0|2,0,0]=4 133 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [1,0,1,0,0,0|2,0,0]=4 134 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [1,0,1,0,0,0|1,0,0]=3 135 B8R0.8 C=C(C)C(=O)OCCBr MCULE-2338171938 [1,0,1,0,0,0|2,0,0]=4 136 B8R0.8 C=C(C)C(=O)OCCC MCULE-3202968176 [1,0,1,0,0,0|1,0,0]=3 137 B8R0.8 C=C(C)C(=O)OCCCl MCULE-1588137861 [1,0,1,0,0,0|2,0,0]=4 138 B8R0.8 C=C(C)C(=O)OCCF MCULE-6402794071 [1,0,1,0,0,0|2,0,0]=4 139 B8R0.8 C=C(C)C(=O)OCCN MCULE-1298883252 [1,0,1,0,0,0|2,0,0]=4 140 B8R0.8 C=C(C)C(=O)OCCN MCULE-8628486692 [1,0,1,0,0,0|2,0,0]=4 141 B8R0.8 C=C(C)C(=O)OCCO MCULE-7874353357 [1,0,1,0,0,0|2,0,0]=4 142 B8R0.8 CC(O)C(=O)OCCO MCULE-9321822945 [1,0,1,0,0,0|1,0,1]=4 143 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [1,0,1,0,0,0|1,0,0]=3 144 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [1,0,1,0,0,0|1,0,0]=3 145 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [1,0,1,0,0,0|1,0,1]=4 146 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [1,0,1,0,0,0|0,0,2]=4 147 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [1,0,1,0,0,0|0,0,2]=4 148 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [1,0,1,0,0,0|1,0,1]=4 149 B8R0.8 CCCOC(=O)C(C)C MCULE-8112640762 [1,0,1,0,0,0|1,0,1]=4 150 B8R0.8 CCCOC(=O)C(C)Cl MCULE-6753282934 [1,0,1,0,0,0|1,0,1]=4 151 B8R0.8 CCCOC(=O)C(C)N MCULE-6692040810 [1,0,1,0,0,0|1,0,1]=4 152 B8R0.8 CCCOC(=O)C(C)N MCULE-9142364939 [1,0,1,0,0,0|1,0,1]=4 153 B8R0.8 CCCOC(=O)C(C)O MCULE-8240669472 [1,0,1,0,0,0|0,0,1]=3 154 B8R0.8 CCCOC(=O)[C@H](C)N MCULE-2973724539 [1,0,1,0,0,0|1,0,1]=4 155 B8R0.8 CCCOC(=O)[C@H](C)N MCULE-7427167899 [1,0,1,0,0,0|1,0,1]=4 156 B8R0.8 CCCOC(=O)[C@H](C)O MCULE-4150275631 [1,0,1,0,0,0|0,0,1]=3 157 B8R0.1 C/C=C/C(=O)CCCC MCULE-6753420308 [1,0,1,0,0,0|1,0,0]=3 158 B8R0.1 C=CCOC(=O)/C=C/C MCULE-8988055269 [1,0,1,0,0,0|0,0,2]=4 159 B8R0.1 CC=CC(=O)CCCC MCULE-2281679965 [1,0,1,0,0,0|1,0,0]=3 160 B8R0.1 CCCOC(=O)CCC MCULE-7673125406 [1,0,1,0,0,0|0,0,2]=4 161 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [1,0,1,0,0,0|2,0,0]=4 162 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [1,0,1,0,0,0|1,0,1]=4 163 B8R0.16 C=CC(CC)OC(=O)C MCULE-4764266837 [1,0,1,0,0,0|0,0,2]=4 164 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [1,0,1,0,0,0|2,0,0]=4 165 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [1,0,1,0,0,0|2,0,0]=4 166 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [1,0,1,0,0,0|1,0,1]=4 167 B8R0.19 CCC(=O)OC(C)CC MCULE-9589388650 [1,0,1,0,0,0|1,0,1]=4 168 B8R0.19 CCC(C)OC(=O)NN MCULE-8409912635 [1,0,1,0,0,0|2,0,0]=4 169 B8R1.1 CCC1=CC(=CO1)N MCULE-7306991601 [2,0,0,0,0,0|1,0,1]=4 170 B8R1.1 CCC1=CC(=NO1)O MCULE-5290421721 [2,0,0,0,0,0|1,0,1]=4 171 B8R1.1 CCC1=CC=C(O1)C MCULE-5132828893 [2,0,0,0,0,0|1,0,1]=4 172 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [2,0,0,0,0,0|0,0,0]=2 173 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [2,0,0,0,0,0|0,0,2]=4 174 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [2,0,0,0,0,0|1,0,1]=4 175 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [2,0,0,0,0,0|1,0,1]=4 176 B8R1.1 CCN1C=C(C=N1)O MCULE-7680949966 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [2,0,0,0,0,0|0,0,2]=4 178 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [2,0,0,0,0,0|1,0,0]=3 181 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [2,0,0,0,0,0|1,0,0]=3 183 B8R1.11 CC1=C(OC=C1)CN MCULE-2352949047 [2,0,0,0,0,0|1,0,1]=4 184 B8R1.11 CC1=C(OC=C1)CO MCULE-9104455772 [2,0,0,0,0,0|1,0,1]=4 185 B8R1.11 CC1=C(OC=C1)CS MCULE-7578747384 [2,0,0,0,0,0|1,0,1]=4 186 B8R1.11 CCN1N=CC=C1C MCULE-7029406332 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [2,0,0,0,0,0|1,0,1]=4 188 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [2,0,0,0,0,0|1,0,1]=4 189 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [2,0,0,0,0,0|1,0,1]=4 190 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [2,0,0,0,0,0|1,0,1]=4 191 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [2,0,0,0,0,0|1,0,1]=4 196 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [2,0,0,0,0,0|1,0,0]=3 197 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [2,0,0,0,0,0|1,0,0]=3 198 B8R1.18 CC1=CC(OC1=O)Br MCULE-3845731354 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.18 CC1=CC(OC1=O)Cl MCULE-5657964064 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.18 CC1=CC(OC1=O)O MCULE-9085952542 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [2,0,0,0,0,0|0,0,2]=4 202 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [2,0,0,0,0,0|1,0,1]=4 203 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [2,0,0,0,0,0|1,0,1]=4 206 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [2,0,0,0,0,0|0,0,2]=4 208 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.50 CC1=C(C(=NO1)O)C MCULE-4287762482 [2,0,0,0,0,0|1,0,1]=4 210 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [2,0,0,0,0,0|1,0,0]=3 213 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [2,0,0,0,0,0|1,0,0]=3 214 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [2,0,0,0,0,0|0,0,0]=2 217 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [2,0,0,0,0,0|0,1,0]=3 218 B8R1.50 CC1=C(C=NN1C)O MCULE-2566816087 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.50 CC1=NOC(=C1O)C MCULE-1389073754 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.50 O=C1OCC(=C1Br)Br MCULE-4636963042 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.50 O=C1OCC(=C1Cl)Cl MCULE-1730099484 [2,0,0,0,0,0|2,0,0]=4 225 B10R0.57 C/C=C(/C)\C(=O)OCC(C)C MCULE-4080804446 [0,1,1,0,0,0|1,0,0]=3 226 B10R0.57 C/C=C(\C)/C(=O)OCC(C)C MCULE-7734038264 [0,1,1,0,0,0|1,0,0]=3 227 B10R0.57 CC=C(C)C(=O)OCC(C)C MCULE-6247837595 [0,1,1,0,0,0|1,0,0]=3 228 B10R0.83 C/C=C(\C)/C(=O)OCCCC MCULE-3804525135 [0,1,1,0,0,0|1,0,0]=3 229 B10R0.83 CC=C(C)C(=O)OCCCC MCULE-8087081559 [0,1,1,0,0,0|1,0,0]=3 230 B10R0.83 CCCCOC(=O)C(O)CC MCULE-9177969209 [0,1,1,0,0,0|0,0,2]=4 231 B10R0.83 CCCCOC(=O)[C@@H](O)CC MCULE-3356665164 [0,1,1,0,0,0|0,0,2]=4 232 B10R0.83 CCCCOC(=O)[C@@H](O)CC MCULE-5141009962 [0,1,1,0,0,0|0,0,2]=4 233 B10R0.72 CCC(CC)NC(=O)C(=O)O MCULE-8448792347 [0,1,1,0,0,0|1,0,1]=4 234 B10R1.32 COC1=CC(=O)OC1CO MCULE-5590123756 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.35 CCN1N=C(C=C1C)C=O MCULE-5852177248 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.130 CCOC1OC(=O)C=C1Br MCULE-6725733026 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.130 NCCC1OC(=O)NC1=O MCULE-7050720184 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.475 C=C1OC(=O)OC1(C)CC MCULE-7115635798 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.475 CCC1(OC(=O)NC1=O)C MCULE-1221658185 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.244 CC1=CC(OC1=O)(O)CCl MCULE-9045748401 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.191 CC1=C(C(C(C1=O)C)C)C MCULE-9392152255 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.271 CC1=C(C(OC1=O)(C)O)C MCULE-1508842425 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.258 CCN1N=CC(=C1C)CO MCULE-9250051755 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.544 CC1=C(C(=O)C=CN1CCO)O MCULE-1482689931 [0,1,0,0,0,1|2,0,0]=4 245 B12R1.652 CCC1=C(C(=O)C=CN1CC)O MCULE-1740496219 [0,1,0,0,0,1|2,0,0]=4 246 B12R1.362 C(O)(CO)[C@H]1OC(=O)C(=O)C1=O MCULE-3597020619 [0,2,0,0,0,0|1,0,1]=4 247 B12R1.362 NC1=C([C@@H](OC1=O)[C@H](O)CO)O MCULE-6641405313 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.362 O=C1OC(C(=C1O)O)C(O)CO MCULE-2354296394 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.362 O=C1OC(C(=C1O)[O-])C(O)CO MCULE-8774510897 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.362 O=C1OC(C(=O)C1=O)C(O)CO MCULE-8376809671 [0,2,0,0,0,0|1,0,1]=4 251 B12R1.362 O=C1O[C@@H](C(=C1O)O)[C@@H](O)CO MCULE-2886951422 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.362 O=C1O[C@@H](C(=C1O)O)[C@@H](O)CO MCULE-6338484278 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.362 O=C1O[C@@H](C(=C1O)O)[C@H](O)CO MCULE-2409740338 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.362 O=C1O[C@@H](C(=C1O)O)[C@H](O)CO MCULE-9379751882 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.362 O=C1O[C@@H](C(=C1O)[O-])[C@@H](O)CO MCULE-8251119272 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.362 O=C1O[C@@H](C(=O)C1=O)[C@@H](O)CO MCULE-2335664685 [0,2,0,0,0,0|1,0,1]=4 257 B12R1.362 O=C1O[C@@H](C(=O)C1=O)[C@@H](O)CO MCULE-5883210948 [0,2,0,0,0,0|1,0,1]=4 258 B12R1.362 O=C1O[C@@H](C(=O)C1O)[C@@H](O)CO MCULE-1181042202 [0,2,0,0,0,0|1,0,1]=4 259 B12R1.362 O=C1O[C@@H](C(=O)[C-]1O)[C@@H](O)CO MCULE-6638591684 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.362 O=C1O[C@@H](C(=O)[C-]1O)[C@@H](O)CO MCULE-9270374151 [0,2,0,0,0,0|1,0,1]=4 261 B12R1.362 [C@@H]1(OC(=O)C(=C1O)O)[C@@H](O)CO MCULE-4015194684 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.362 [C@@H]1(OC(=O)C(=C1[O-])O)[C@@H](O)CO MCULE-5449971582 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.362 [C@@H]1(OC(=O)C(=C1[O-])O)[C@H](O)CO MCULE-1852717320 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.362 [C@@H]1(OC(=O)C(=C1[O-])O)[C@H](O)CO MCULE-9387275472 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.1276 CC(=O)CC1OC(=O)C(=C1Br)Br MCULE-6394838527 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.853 CC1=C(C(=O)OC1C(Cl)(Cl)Cl)O MCULE-1170639598 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.1978 CCN1N=C(C(=C1C)O)C(=O)C MCULE-9068869108 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.23 CC(=C1CCCC1)C(=O)O MCULE-3562031446 [0,0,1,1,0,0|1,0,0]=3 269 B10R1.23 O=C(O)C(=C1CCCC1)F MCULE-7724617873 [0,0,1,1,0,0|1,0,0]=3 270 B10R1.23 O=C(O)C(=C1CCCC1)S MCULE-2991118664 [0,0,1,1,0,0|0,1,0]=3 271 B10R1.23 O=C(O)C(=O)C1CCCC1 MCULE-3971745471 [0,0,1,1,0,0|0,0,2]=4 272 B10R1.23 O=C(O)C(=O)N1CCCC1 MCULE-9901176707 [0,0,1,1,0,0|1,0,1]=4 273 B10R1.23 O=C(O)C(O)C1CCCC1 MCULE-1471598195 [0,0,1,1,0,0|0,0,2]=4 274 B10R1.23 O=C(O)[C@H](O)C1CCCC1 MCULE-1883242923 [0,0,1,1,0,0|0,0,2]=4 275 B10R1.61 CC1=C(CCCC1)C(=O)O MCULE-2899177590 [0,0,1,1,0,0|1,0,0]=3 276 B10R1.61 CC1=C(CCCO1)C(=O)O MCULE-1778977864 [0,0,1,1,0,0|2,0,0]=4 277 B10R1.61 CC1=C(OCCO1)C(=O)O MCULE-1214060885 [0,0,1,1,0,0|1,0,0]=3 278 B10R1.61 CC1=C(SCCO1)C(=O)O MCULE-2576357484 [0,0,1,1,0,0|1,1,0]=4 279 B10R1.61 CC1CCCC=C1C(=O)O MCULE-2002913109 [0,0,1,1,0,0|1,0,1]=4 280 B10R1.61 NC1=C(CCCC1)C(=O)O MCULE-4360190675 [0,0,1,1,0,0|2,0,0]=4 281 B10R1.61 O=C(O)C1=C(CCCC1)Br MCULE-4432967237 [0,0,1,1,0,0|2,0,0]=4 282 B10R1.61 O=C(O)C1=C(CCCC1)Cl MCULE-4191246644 [0,0,1,1,0,0|2,0,0]=4 283 B10R1.278 CC(=C(F)C(=O)O)C1CC1 MCULE-9075272286 [0,0,1,1,0,0|1,0,0]=3 284 B10R1.7 O=C1CCCCCC=C1F MCULE-8826870713 [0,0,1,1,0,0|2,0,0]=4 285 B10R1.27 O=C(NO)OC1CCCC1 MCULE-8628794772 [0,0,1,1,0,0|1,0,1]=4 286 B10R2.2 O=C1NC2CCCC2O1 MCULE-1083402024 [1,0,0,1,0,0|1,0,1]=4 287 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 MCULE-9594804536 [1,0,0,1,0,0|0,0,2]=4 288 B12R2.72 N#CC1=C2CCCC2SC1=O MCULE-2033290155 [0,1,0,1,0,0|1,1,0]=4 289 B12R2.72 O=C1OC2=C(C1=NO)CCC2 MCULE-7656612931 [0,1,0,1,0,0|0,0,1]=3 290 B10R1.8 CC1=CC(=O)OC(=C1)CCl MCULE-4516724807 [1,0,0,0,0,1|1,0,1]=4 291 B10R1.8 CCC1=CC(=CC(=O)O1)O MCULE-4474316336 [1,0,0,0,0,1|1,0,1]=4 292 B10R1.8 CCC1CC(=O)C=C(C1)C MCULE-9551990259 [1,0,0,0,0,1|1,0,0]=3 293 B10R1.8 CCN1CC(=O)C=C(C1)C MCULE-3181194332 [1,0,0,0,0,1|2,0,0]=4 294 B10R1.8 CCN1CC(=O)C=C(C1)C MCULE-9531347405 [1,0,0,0,0,1|2,0,0]=4 295 B10R1.25 CCC1=NNC(=O)C=C1C MCULE-2617888599 [1,0,0,0,0,1|1,0,1]=4