0 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-1358390281 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-6098819264 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.16 CC(=O)C(=O)C(C)Br MCULE-8153095418 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.16 CC(=O)C(=O)N(C)C MCULE-9467983911 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,0,0,0,0,0|1,0,1]=2 29 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,0,0,0,0,0|1,0,3]=4 30 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,0,0,0,0,0|1,0,3]=4 31 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,0,0,0,0,0|1,0,3]=4 49 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,0,0,0,0,0|2,0,2]=4 50 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,0,0,0,0,0|2,0,2]=4 51 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,0,0,0,0,0|1,0,1]=2 59 B7R0.16 O=C(Cl)C(=C(Cl)Cl)Cl MCULE-8279367474 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,0,0,0,0,0|0,0,0]=0 62 B7R0.16 O=C(O)C(=O)C(Br)Br MCULE-6847251467 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,0,0,0,0,0|1,0,1]=2 64 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,0,0,0,0,0|1,0,1]=2 65 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,0,0,0,0,0|0,0,2]=2 66 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,0,0,0,0,0|0,0,2]=2 67 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,0,0,0,0,0|0,0,2]=2 68 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,0,0,0,0,0|1,0,1]=3 87 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,0,0,0,0,0|1,0,2]=4 88 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,0,0,0,0,0|1,0,2]=4 96 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,0,0,0,0,0|1,0,2]=4 97 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,0,0,0,0,0|1,0,2]=4 98 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,0,0,0,0,0|1,0,2]=4 99 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,0,0,0,0,0|1,0,1]=3 103 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,0,0,0,0,0|0,0,1]=2 109 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [1,0,0,0,0,0|1,0,2]=4 110 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [1,0,0,0,0,0|0,0,3]=4 111 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [1,0,0,0,0,0|0,0,3]=4 112 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [1,0,0,0,0,0|1,0,1]=3 120 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [1,0,0,0,0,0|1,0,0]=2 122 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,0,0,0,0,0|1,0,2]=4 128 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,0,0,0,0,0|2,0,0]=3 155 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,0,0,0,0,0|2,0,0]=3 156 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,0,0,0,0,0|1,0,1]=3 157 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,0,0,0,0,0|1,0,1]=3 159 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [1,0,0,0,0,0|2,0,0]=3 161 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,0,0,0,0,0|1,0,2]=4 167 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,0,0,0,0,0|1,0,2]=4 168 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,0,0,0,0,0|1,0,2]=4 169 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,0,0,0,0,0|1,0,2]=4 171 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,0,0,0,0,0|1,0,2]=4 172 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,0,0,0,0,0|1,0,2]=4 174 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,0,0,0,0,0|1,0,2]=4 175 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,0,0,0,0,0|1,0,2]=4 176 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,0,0,0,0,0|1,0,2]=4 177 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,0,0,0,0,0|1,0,2]=4 178 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,0,0,0,0,0|1,0,2]=4 179 B6R0.3 O=C(Cl)/C(=C/Cl)/Cl MCULE-1765210878 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [1,0,0,0,0,0|1,0,1]=3 185 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [1,0,0,0,0,0|1,0,1]=3 186 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [1,0,0,0,0,0|0,0,1]=2 187 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [1,0,0,0,0,0|0,1,1]=3 188 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,0,0,0,0,0|1,0,2]=4 189 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,0,0,0,0,0|1,0,2]=4 190 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,0,0,0,0,0|0,0,3]=4 191 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,0,0,0,0,0|1,0,2]=4 192 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,0,0,0,0,0|1,0,2]=4 193 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,0,0,0,0,0|0,0,3]=4 194 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,0,0,0,0,0|0,0,3]=4 195 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,0,0,0,0,0|1,0,2]=4 196 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,0,0,0,0,0|1,0,2]=4 197 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [1,0,0,0,0,0|1,0,2]=4 198 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [1,0,0,0,0,0|0,1,2]=4 199 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,0,0,0,0,0|2,0,1]=4 200 B8R0.2 C=C(C(=O)OC)C(C)O MCULE-5811418696 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.2 COC(=O)C(=C(C)C)Br MCULE-8636120575 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.2 COC(=O)C(=C(F)F)F MCULE-6710198095 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.2 COC(=O)C(=O)C(C)Br MCULE-1006616025 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.2 COC(=O)C(=O)C(C)C MCULE-5411002089 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.2 COC(=O)C(=O)C(C)Cl MCULE-1746484890 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.2 COC(=O)C(=O)C(F)F MCULE-4830388166 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.2 COC(=O)C(=O)N(C)C MCULE-3358727731 [0,1,0,0,0,0|3,0,0]=4 210 B8R0.2 COC(=O)C(Br)C(=O)C MCULE-4571030586 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.2 COC(=O)C(C)C(=O)N MCULE-7480268767 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.2 COC(=O)C(Cl)C(=O)C MCULE-8703201551 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,1,0,0,0,0|1,0,1]=3 218 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,1,0,0,0,0|1,0,1]=3 219 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,1,0,0,0,0|1,0,1]=3 220 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,1,0,0,0,0|1,0,1]=3 221 B8R0.2 CON(C)C(=O)C(=O)C MCULE-5569194996 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.2 O=C/C(=C(/Br)\C(=O)O)/Br MCULE-4235787323 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.2 O=C/C(=C(/Cl)\C(=O)O)/Cl MCULE-5383258560 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl MCULE-2800807401 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.2 O=CC(=C(Br)C(=O)O)Br MCULE-6159934056 [0,1,0,0,0,0|2,0,0]=3 226 B8R0.2 O=CC(=C(Cl)C(=O)O)Cl MCULE-1478625845 [0,1,0,0,0,0|2,0,0]=3 227 B8R0.18 CC(=C(C#N)C(=O)O)C MCULE-7102466999 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.18 CC(=O)C(=CN)C(=O)C MCULE-1809554699 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.18 CC(=O)C(=NO)C(=O)C MCULE-5277683993 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.18 CC(=O)C(C=O)C(=O)C MCULE-8700117770 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,1,0,0,0,0|1,0,1]=3 232 B8R0.18 N#CC(=C(N)Cl)C(=O)O MCULE-9943473987 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.18 NC(=O)C(=NO)C(=O)N MCULE-6171791903 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.18 O=C(O)C(=CBr)C(=O)O MCULE-6610352716 [0,1,0,0,0,0|1,0,0]=2 235 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.27 CC(C)(C)C(=O)C(=O)O MCULE-2891266778 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.27 O=C(O)C(=O)C(F)(F)F MCULE-3149176369 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,1,0,0,0,0|1,0,2]=4 240 B8R0.37 CC(=O)C(C)(C)C(=O)O MCULE-5093326895 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.37 CC(C)(C(=O)N)C(=O)O MCULE-2390691265 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.37 CC(C)(C(=O)O)C(=O)O MCULE-7318511088 [0,1,0,0,0,0|1,0,1]=3 243 B8R0.37 O=C(O)C(F)(F)C(=O)O MCULE-4438516030 [0,1,0,0,0,0|1,0,1]=3 244 B8R0.37 O=C(O)C(O)(O)C(=O)O MCULE-1610310703 [0,1,0,0,0,0|0,0,2]=3 245 B8R1.50 CC1=C(C(=NO1)O)Br MCULE-8811281244 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.50 CC1=C(C(=NO1)O)C MCULE-4287762482 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.50 CC1=C(C(=O)NO1)Cl MCULE-8820928279 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,0,0,1,0,0|3,0,0]=4 251 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [0,0,0,1,0,0|3,0,0]=4 252 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.50 CC1=C(OCC1=O)O MCULE-1835077768 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.50 CC1=C(ON=C1O)N MCULE-1946893657 [0,0,0,1,0,0|3,0,0]=4 255 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,0,0,1,0,0|2,0,1]=4 259 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.50 O=C1OCC(=C1Br)Br MCULE-4636963042 [0,0,0,1,0,0|3,0,0]=4 261 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.50 O=C1OCC(=C1Cl)Cl MCULE-1730099484 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [0,0,0,1,0,0|2,0,1]=4 265 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,0,0,0,0,1|1,0,0]=2 266 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,0,0,0,0,1|1,0,0]=2 267 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,0,0,0,0,1|1,0,0]=2 268 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,0,0,0,0,1|3,0,0]=4 269 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,0,0,0,0,1|1,0,0]=2 270 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,0,0,0,0,1|2,0,0]=3 271 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,0,0,0,0,1|1,0,0]=2 272 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,0,0,0,0,1|2,0,0]=3 273 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,0,0,0,1|2,0,1]=4 274 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,0,0,0,0,1|2,0,1]=4 275 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,0,0,0,1|2,0,1]=4 276 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,0,0,0,1|2,0,1]=4 277 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,0,0,0,1|2,0,1]=4 278 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,0,0,0,1|1,0,2]=4 279 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,0,0,0,0,1|3,0,0]=4 280 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,0,0,0,0,1|2,0,0]=3 281 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,0,0,0,0,1|2,0,1]=4 282 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,0,0,0,0,1|2,0,1]=4 283 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,0,0,0,0,1|2,0,1]=4 284 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,0,0,0,0,1|2,0,1]=4 285 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,0,0,0,0,1|2,0,1]=4 286 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,0,0,0,0,1|2,0,1]=4 287 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,0,0,0,0,1|2,0,1]=4 288 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,0,0,0,0,1|2,0,1]=4 289 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,0,0,0,0,1|2,0,1]=4 290 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,0,0,0,0,1|2,0,1]=4 291 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,0,0,0,0,1|2,0,1]=4 292 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,0,0,0,0,1|2,0,1]=4 293 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,0,0,0,0,1|2,0,1]=4 294 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,0,0,0,0,1|2,0,1]=4 295 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [0,0,0,0,0,1|2,0,1]=4 296 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,0,0,0,1|2,0,1]=4 297 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,0,0,0,1|1,0,1]=3 298 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,0,0,0,1|1,0,1]=3 299 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,0,0,0,0,1|2,0,1]=4 300 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,0,0,0,0,1|3,0,0]=4 301 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,0,0,0,0,1|3,0,0]=4 302 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,0,0,0,1|1,0,1]=3 303 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,0,0,0,1|1,0,1]=3 304 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,0,0,0,1|1,0,1]=3 305 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,0,0,0,1|1,0,1]=3 306 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,0,0,0,0,1|2,0,1]=4 307 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,0,0,0,0,1|2,0,1]=4 308 B8R0.23 NC(=O)C=C(N)C(=O)N MCULE-1435081726 [0,0,0,0,0,1|3,0,0]=4 309 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,0,0,0,1|2,0,1]=4 310 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,0,0,0,1|2,0,1]=4 311 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,0,0,0,1|2,0,1]=4 312 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,0,0,0,1|2,0,1]=4 313 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,0,0,0,1|2,0,1]=4 314 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,0,0,0,1|2,0,1]=4 315 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,0,0,0,0,1|3,0,0]=4 316 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,0,0,0,0,1|2,0,1]=4 317 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,0,0,0,0,1|2,0,1]=4 318 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,0,0,0,0,1|2,0,1]=4 319 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,0,0,0,0,1|2,0,1]=4 320 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,0,0,0,0,1|2,0,1]=4 321 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,0,0,0,0,1|2,0,1]=4 322 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,0,0,0,1|1,0,1]=3 323 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,0,0,0,1|1,0,1]=3 324 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,0,0,0,0,1|1,0,2]=4 325 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,0,0,0,0,1|1,0,2]=4 326 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,0,0,0,1|1,0,2]=4 327 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,0,0,0,1|1,0,1]=3 328 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,0,0,0,1|1,0,1]=3 329 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,0,0,0,0,1|1,0,2]=4 330 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,0,0,0,1|1,0,2]=4 331 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,0,0,0,0,1|2,0,1]=4 332 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,0,0,0,0,1|2,0,1]=4 333 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,0,0,0,1|1,0,1]=3 334 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,0,0,0,0,1|1,0,0]=2 335 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,0,0,0,0,1|1,0,0]=2 336 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,0,0,0,0,1|1,0,0]=2 337 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,0,0,0,0,1|3,0,0]=4 338 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,0,0,0,0,1|0,0,0]=1 339 B8R0.23 O=C(O)CC(=O)C(F)F MCULE-6579310267 [0,0,0,0,0,1|2,0,1]=4 340 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,0,0,0,1|1,0,1]=3 341 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,0,0,0,1|1,0,1]=3 342 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,0,0,0,1|1,0,1]=3 343 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,0,0,0,1|0,0,2]=3 344 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,0,0,0,1|0,0,2]=3 345 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,0,0,0,1|0,0,2]=3 346 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,0,0,0,1|0,1,1]=3 347 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,0,0,0,1|1,0,1]=3 348 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,0,0,0,1|1,0,1]=3 349 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,0,0,0,1|0,0,2]=3 350 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,0,0,0,1|0,0,2]=3 351 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,0,0,0,1|1,0,1]=3 352 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,0,0,0,1|1,0,1]=3 353 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,0,0,0,1|1,0,1]=3 354 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,0,0,0,1|0,0,2]=3 355 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,0,0,0,1|0,0,2]=3 356 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,0,0,0,0,1|0,0,3]=4 357 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,0,0,0,1|0,1,1]=3 358 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,0,0,0,0,1|3,0,0]=4 359 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,0,0,0,1|1,0,1]=3 360 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [2,0,0,0,0,0|2,0,0]=4 361 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|1,0,0]=3 364 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.1 CC(=CC=O)C MCULE-7002222435 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.1 CC(=CC=O)N MCULE-2659507627 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.1 CC(=O)C=NO MCULE-5513006918 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.1 CC=CC(=O)C MCULE-4826977340 [2,0,0,0,0,0|2,0,0]=4 373 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.1 CC=CC(=O)N MCULE-9693879476 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|1,0,0]=3 376 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.1 NC(=O)C=NO MCULE-6447662753 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [2,0,0,0,0,0|1,0,0]=3 384 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [2,0,0,0,0,0|1,0,0]=3 385 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.1 O=C(O)C=CI MCULE-7162332129 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.1 O=C(O)C=NO MCULE-2039309679 [2,0,0,0,0,0|1,0,0]=3 390 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,0,2]=4 391 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|1,0,1]=4 392 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [2,0,0,0,0,0|2,0,0]=4 394 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.3 C=CC(=O)NO MCULE-9528737042 [2,0,0,0,0,0|2,0,0]=4 397 B5R0.3 CC(=CN)C=O MCULE-5507488903 [2,0,0,0,0,0|2,0,0]=4 398 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.3 CC=C(C)C=O MCULE-9453566957 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.3 CN(C=O)C=O MCULE-7774435044 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.3 COC(=O)C=O MCULE-2685327079 [2,0,0,0,0,0|2,0,0]=4 402 B5R0.3 O=C(CO)CO MCULE-7188810449 [2,0,0,0,0,0|0,0,2]=4 403 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [2,0,0,0,0,0|1,0,0]=3 404 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.3 O=CC(=O)CO MCULE-7273475675 [2,0,0,0,0,0|0,0,1]=3 407 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [2,0,0,0,0,0|1,0,1]=4 408 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [2,0,0,0,0,0|1,0,1]=4 409 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [2,0,0,0,0,0|1,0,0]=3 410 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [2,0,0,0,0,0|1,0,0]=3 414 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [2,0,0,0,0,0|1,0,1]=4 415 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [2,0,0,0,0,0|1,0,1]=4 416 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [2,0,0,0,0,0|1,0,1]=4 417 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [2,0,0,0,0,0|1,0,0]=3 418 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [2,0,0,0,0,0|1,0,0]=3 420 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [2,0,0,0,0,0|1,0,1]=4 423 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [2,0,0,0,0,0|0,0,1]=3 425 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [2,0,0,0,0,0|0,0,2]=4 426 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [2,0,0,0,0,0|0,0,2]=4 427 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [2,0,0,0,0,0|0,0,2]=4 428 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [2,0,0,0,0,0|1,0,1]=4 429 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [2,0,0,0,0,0|1,0,1]=4 430 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [2,0,0,0,0,0|1,0,1]=4 431 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [2,0,0,0,0,0|1,0,1]=4 432 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [2,0,0,0,0,0|1,0,1]=4 433 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [2,0,0,0,0,0|1,0,0]=3 436 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [2,0,0,0,0,0|1,0,1]=4 437 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [2,0,0,0,0,0|1,0,1]=4 438 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [2,0,0,0,0,0|1,0,1]=4 439 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [2,0,0,0,0,0|2,0,0]=4 441 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [2,0,0,0,0,0|0,0,0]=2 442 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [2,0,0,0,0,0|0,0,0]=2 443 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [2,0,0,0,0,0|0,0,0]=2 444 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [2,0,0,0,0,0|0,0,0]=2 445 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [2,0,0,0,0,0|0,0,0]=2 446 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [2,0,0,0,0,0|0,0,0]=2 447 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [2,0,0,0,0,0|0,0,0]=2 448 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [2,0,0,0,0,0|0,0,0]=2 449 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [2,0,0,0,0,0|0,0,0]=2 450 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [2,0,0,0,0,0|0,0,0]=2 451 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [2,0,0,0,0,0|0,0,0]=2 452 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [2,0,0,0,0,0|0,0,2]=4 453 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [2,0,0,0,0,0|0,0,2]=4 454 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [2,0,0,0,0,0|0,0,2]=4 455 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [2,0,0,0,0,0|0,0,2]=4 456 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [2,0,0,0,0,0|0,0,2]=4 457 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [2,0,0,0,0,0|0,0,2]=4 458 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [2,0,0,0,0,0|0,0,2]=4 459 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [2,0,0,0,0,0|0,0,2]=4 460 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [2,0,0,0,0,0|0,0,2]=4 461 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [1,1,0,0,0,0|1,0,0]=3 462 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [1,1,0,0,0,0|1,0,0]=3 466 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [1,1,0,0,0,0|2,0,0]=4 467 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [1,1,0,0,0,0|1,0,0]=3 468 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [1,1,0,0,0,0|2,0,0]=4 469 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [1,1,0,0,0,0|2,0,0]=4 470 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [1,1,0,0,0,0|2,0,0]=4 471 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [1,1,0,0,0,0|1,0,1]=4 473 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [1,1,0,0,0,0|1,0,1]=4 477 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [1,1,0,0,0,0|0,0,1]=3 478 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [1,1,0,0,0,0|0,0,2]=4 479 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,1,0,0,0,0|2,0,0]=4 490 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [1,1,0,0,0,0|2,0,0]=4 500 B7R0.10 C=C(CO)C(=O)OC MCULE-8888105984 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.10 CNC(=O)C(=O)OC MCULE-1771479923 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.10 COC(=O)/C(=N/O)/N MCULE-6279341489 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.10 COC(=O)C(=O)OC MCULE-5018268642 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.15 C/C=C(\C#N)/C(=O)O MCULE-4984827905 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.15 CC=C(C#N)C(=O)O MCULE-5255376210 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [1,1,0,0,0,0|2,0,0]=4 520 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,0,0,0,1|1,0,1]=4 521 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,0,0,0,1|1,0,1]=4 522 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,0,0,0,1|1,0,1]=4 523 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,1,0,0,0,1|0,0,2]=4 524 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,0,0,0,1|1,0,1]=4 525 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,0,0,0,1|1,0,1]=4 526 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,0,0,0,1|1,0,1]=4 527 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,1,0,0,0,1|0,0,2]=4 528 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,1,0,0,0,1|1,0,1]=4 529 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,1,0,0,0,1|0,1,1]=4 530 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,1,0,0,0,1|1,0,1]=4 531 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,1,0,0,0,1|1,0,0]=3 532 B9R0.23 C=C(NC(=O)C)C(=O)OC MCULE-8995388871 [0,1,0,0,0,1|2,0,0]=4 533 B9R0.23 COC(=O)/C(=C/C(=O)O)/Br MCULE-9236300450 [0,1,0,0,0,1|1,0,0]=3 534 B9R0.23 COC(=O)C(=CC(=O)C)O MCULE-4086335030 [0,1,0,0,0,1|1,0,1]=4 535 B9R0.23 COC(=O)C(=CC(=O)C)[O-] MCULE-6893575885 [0,1,0,0,0,1|1,0,1]=4 536 B9R0.23 COC(=O)C(=CC(=O)O)Br MCULE-7067392588 [0,1,0,0,0,1|1,0,0]=3 537 B9R0.23 COC(=O)C(=O)CC(=O)C MCULE-8074026108 [0,1,0,0,0,1|1,0,0]=3 538 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,1,0,0,0,1|1,0,1]=4 539 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,1,0,0,0,1|1,0,1]=4 540 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,1,0,0,0,1|2,0,0]=4 541 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,1,0,0,0,1|1,0,1]=4 542 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,1,0,0,0,1|1,0,1]=4 543 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,1,0,0,0,1|1,0,1]=4 544 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,1,0,0,0,1|0,0,2]=4 545 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,1,0,0,0,1|0,0,2]=4 546 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,1,0,0,0,1|1,0,1]=4 547 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,1,0,0,0,1|1,0,1]=4 548 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,1,0,0,0,1|1,0,1]=4 549 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,1,0,0,0,1|0,0,2]=4 550 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,1,0,0,0,1|0,0,2]=4 551 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,1,0,0,0,1|1,0,1]=4 552 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,1,0,0,0,1|1,0,0]=3 553 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,1,0,0,0,1|1,0,1]=4 554 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,1,0,0,0,1|1,0,1]=4 555 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,1,0,0,0,1|1,0,1]=4 556 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,1,0,0,0,1|1,0,1]=4 557 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,1,0,0,0,1|1,0,1]=4 558 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,1,0,0,0,1|1,0,1]=4 559 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,1,0,0,0,1|1,0,1]=4 560 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,1,0,0,0,1|1,0,1]=4 561 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,1,0,0,0,1|0,0,2]=4 562 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,1,0,0,0,1|1,0,1]=4 563 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,1,0,0,0,1|1,0,1]=4 564 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,1,0,0,0,1|2,0,0]=4 565 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,1,0,0,0,1|0,1,1]=4 566 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,1,0,0,0,1|1,0,1]=4 567 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [0,1,0,0,0,1|2,0,0]=4 568 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,1,0,0,0,1|1,0,0]=3 569 B9R0.42 C=C(NC(=O)CCl)C(=O)O MCULE-5735536490 [0,1,0,0,0,1|2,0,0]=4 570 B9R0.42 C=C(NC(=O)CN)C(=O)O MCULE-8924892837 [0,1,0,0,0,1|2,0,0]=4 571 B9R0.42 COC(=O)C=C(N)C(=O)N MCULE-5883616486 [0,1,0,0,0,1|2,0,0]=4 572 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,1,0,0,0,1|0,0,0]=2 573 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,1,0,0,0,1|1,0,1]=4 574 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,1,0,0,0,1|1,0,1]=4 575 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,1,0,0,0,1|1,0,1]=4 576 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,1,0,0,0,1|1,0,1]=4 577 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,1,0,0,0,1|1,0,1]=4 578 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,1,0,0,0,1|0,0,2]=4 579 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,1,0,0,0,1|1,0,1]=4 580 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,1,0,0,0,1|1,0,1]=4 581 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,1,0,0,0,1|1,0,1]=4 582 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,1,0,0,0,1|1,0,1]=4 583 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,1,0,0,0,1|1,0,1]=4 584 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,1,0,0,0,1|1,0,1]=4 585 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,1,0,0,0,1|0,0,2]=4 586 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,1,0,0,0,1|1,0,1]=4 587 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,1,0,0,0,1|1,0,1]=4 588 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,1,0,0,0,1|1,0,1]=4 589 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,1,0,0,0,1|1,0,1]=4 590 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,1,0,0,0,1|1,0,1]=4 591 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,1,0,0,0,1|1,0,1]=4 592 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,1,0,0,0,1|0,0,2]=4 593 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,1,0,0,0,1|1,0,1]=4 594 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,1,0,0,0,1|1,0,1]=4 595 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,1,0,0,0,1|1,0,1]=4 596 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,1,0,0,0,1|1,0,1]=4 597 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-3602390360 [0,1,0,0,0,1|2,0,0]=4 598 B9R0.57 C=C(OP(=O)(O)O)C(=O)O MCULE-8044116150 [0,1,0,0,0,1|2,0,0]=4 599 B9R0.57 CS(=O)(=NC(=O)C(=O)O)C MCULE-5865028854 [0,1,0,0,0,1|2,0,0]=4 600 B9R0.79 CC(=C(C)C(=O)O)C(=O)O MCULE-7892331868 [0,1,0,0,0,1|1,0,0]=3 601 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,0,0,0,1|1,0,1]=4 602 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,0,0,0,1|1,0,1]=4 603 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,0,0,0,1|0,0,2]=4 604 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,0,0,0,1|1,0,1]=4 605 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,0,0,0,1|1,0,1]=4 606 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,0,0,0,1|1,0,1]=4 607 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,0,0,0,1|1,0,1]=4 608 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,1,0,0,0,1|1,0,1]=4 609 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,1,0,0,0,1|0,0,2]=4 610 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,1,0,0,0,1|1,0,1]=4 611 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,1,0,0,0,1|1,0,1]=4 612 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,1,0,0,0,1|0,0,2]=4 613 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,1,0,0,0,1|0,0,2]=4 614 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,1,0,0,0,1|0,0,1]=3 615 B9R0.79 O=C(O)C(=C(Br)C(=O)O)Br MCULE-6375677777 [0,1,0,0,0,1|1,0,0]=3 616 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,1,0,0,0,1|0,0,1]=3 617 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,1,0,0,0,1|1,0,1]=4 618 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,1,0,0,0,1|0,0,2]=4 619 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,1,0,0,0,1|0,0,2]=4 620 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,1,0,0,0,1|0,0,2]=4 621 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,1,0,0,0,1|0,0,2]=4 622 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,1,0,0,0,1|0,0,2]=4 623 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,1,0,0,0,1|0,0,2]=4 624 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,1,0,0,0,1|0,0,2]=4 625 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,1,0,0,0,1|0,0,2]=4 626 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,1,0,0,0,1|0,0,2]=4 627 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,1,0,0,0,1|0,0,2]=4 628 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,1,0,0,0,1|0,0,2]=4 629 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,1,0,0,0,1|0,0,2]=4 630 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,1,0,0,0,1|0,0,2]=4 631 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,1,0,0,0,1|0,0,2]=4 632 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,1,0,0,0,1|0,0,2]=4 633 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,1,0,0,0,1|0,1,1]=4 634 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,1,0,0,0,1|0,0,2]=4 635 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,1,0,0,0,1|0,0,2]=4 636 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,1,0,0,0,1|0,0,2]=4 637 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,1,0,0,0,1|0,0,2]=4 638 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,1,0,0,0,1|0,0,2]=4 639 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,1,0,0,0,1|0,0,2]=4 640 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,1,0,0,0,1|0,0,2]=4 641 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,1,0,0,0,1|0,0,2]=4 642 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,1,0,0,0,1|1,0,1]=4 643 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,1,0,0,0,1|0,0,2]=4 644 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,1,0,0,0,1|0,0,2]=4 645 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,1,0,0,0,1|0,0,2]=4 646 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,1,0,0,0,1|0,0,2]=4 647 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,1,0,0,0,1|0,0,2]=4 648 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,1,0,0,0,1|0,0,2]=4 649 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,1,0,0,0,1|0,1,1]=4 650 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,1,0,0,0,1|0,0,2]=4 651 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,1,0,0,0,1|0,0,2]=4 652 B9R0.6 C=C(C)C(=O)C(=O)OCC MCULE-4190223783 [0,2,0,0,0,0|2,0,0]=4 653 B9R0.6 CCOC(=O)C(=O)C(=O)C MCULE-9413993780 [0,2,0,0,0,0|1,0,0]=3 654 B9R0.6 CCOC(=O)C(C)C(=O)O MCULE-8985852240 [0,2,0,0,0,0|1,0,1]=4 655 B9R0.27 COC(=O)C(=O)N(C)OC MCULE-5786819783 [0,2,0,0,0,0|2,0,0]=4 656 B9R0.27 COC(=O)C(Br)C(=O)OC MCULE-1173991756 [0,2,0,0,0,0|1,0,1]=4 657 B9R0.27 COC(=O)C(C)C(=O)OC MCULE-9983276448 [0,2,0,0,0,0|1,0,1]=4 658 B9R0.27 COC(=O)C(Cl)C(=O)OC MCULE-9302366024 [0,2,0,0,0,0|1,0,1]=4 659 B9R0.27 COC(=O)C(F)C(=O)OC MCULE-1966421103 [0,2,0,0,0,0|1,0,1]=4 660 B9R0.27 COC(=O)C(N)C(=O)OC MCULE-2149912111 [0,2,0,0,0,0|1,0,1]=4 661 B9R0.27 COC(=O)C(N)C(=O)OC MCULE-3544655591 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.28 COC(=O)C(C)(C)C(=O)O MCULE-7134002417 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.29 CCC(C(=O)O)C(=O)OC MCULE-1272120302 [0,2,0,0,0,0|1,0,1]=4 664 B9R0.32 CC(C)(CO)C(=O)C(=O)O MCULE-6046561180 [0,2,0,0,0,0|1,0,1]=4 665 B9R0.41 CN=C(C#N)C(=O)C(=O)O MCULE-3967951911 [0,2,0,0,0,0|2,0,0]=4 666 B9R0.33 C=CCC(C(=O)O)C(=O)O MCULE-3298515693 [0,2,0,0,0,0|1,0,1]=4 667 B9R0.33 CCCC(C(=O)O)C(=O)O MCULE-5699074158 [0,2,0,0,0,0|1,0,1]=4 668 B9R0.54 CC(=C(C(=O)O)C(=O)O)C MCULE-9407619109 [0,2,0,0,0,0|1,0,0]=3 669 B9R0.54 CC(C)C(C(=O)O)C(=O)O MCULE-5431269503 [0,2,0,0,0,0|1,0,1]=4 670 B9R0.76 CCC(C)(C(=O)O)C(=O)O MCULE-2432593138 [0,2,0,0,0,0|1,0,1]=4 671 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [1,0,0,1,0,0|2,0,0]=4 672 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.2 NC1=CC(=NO1)O MCULE-4713053247 [1,0,0,1,0,0|2,0,0]=4 675 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [1,0,0,1,0,0|2,0,0]=4 676 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,1,0,0|2,0,0]=4 677 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [1,0,0,1,0,0|1,0,0]=3 679 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [1,0,0,1,0,0|1,0,1]=4 680 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [1,0,0,1,0,0|1,0,1]=4 681 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [1,0,0,1,0,0|2,0,0]=4 682 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.4 OC1=NOC=C1Br MCULE-1436145132 [1,0,0,1,0,0|2,0,0]=4 689 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [1,0,0,1,0,0|1,0,0]=3 690 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [1,0,0,1,0,0|1,0,1]=4 691 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|2,0,0]=4 692 B9R1.35 CC1=CC(=CO1)C(=O)O MCULE-3833413693 [0,0,0,1,0,1|2,0,0]=4 693 B9R1.35 CC1=CC(=NO1)C(=O)O MCULE-5247185976 [0,0,0,1,0,1|2,0,0]=4 694 B9R1.35 CC1=NC(=CO1)C(=O)O MCULE-5941440614 [0,0,0,1,0,1|2,0,0]=4 695 B9R1.35 CC1=NC(=NO1)C(=O)O MCULE-3452438122 [0,0,0,1,0,1|2,0,0]=4 696 B9R1.35 NC1=NC(=CO1)C(=O)O MCULE-7591773620 [0,0,0,1,0,1|2,0,0]=4 697 B9R1.35 O=C(O)C1=CC(=CS1)O MCULE-4772728495 [0,0,0,1,0,1|1,1,0]=4 698 B9R1.35 O=C(O)C1=CC(=NO1)O MCULE-4091331329 [0,0,0,1,0,1|1,0,1]=4 699 B9R1.35 O=C(O)C1=COC(=C1)Br MCULE-1089920498 [0,0,0,1,0,1|2,0,0]=4 700 B9R1.35 O=C(O)C1=COC(=C1)Cl MCULE-2469235944 [0,0,0,1,0,1|2,0,0]=4 701 B9R1.35 O=C(O)C1=COC(=N1)Br MCULE-2675592853 [0,0,0,1,0,1|2,0,0]=4 702 B9R1.35 O=C(O)C1=COC(=N1)Cl MCULE-9123994881 [0,0,0,1,0,1|2,0,0]=4 703 B9R1.35 O=C(O)C1=COC(=N1)I MCULE-9039043557 [0,0,0,1,0,1|2,0,0]=4 704 B9R1.35 O=C(O)C1=NNC(=N1)O MCULE-2701424429 [0,0,0,1,0,1|2,0,0]=4 705 B9R1.35 O=C(O)C1=NOC(=C1)Cl MCULE-3208024268 [0,0,0,1,0,1|2,0,0]=4 706 B9R1.35 O=C(O)C1=NOC(=C1)I MCULE-9975628012 [0,0,0,1,0,1|2,0,0]=4 707 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,1|2,0,0]=4 708 B9R1.35 O=C1C=C(NN1)C(=O)O MCULE-2820101826 [0,0,0,1,0,1|2,0,0]=4 709 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [0,0,0,1,0,1|2,0,0]=4 710 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,1|1,0,1]=4 711 B9R1.35 O=C1N=C(NO1)C(=O)[O-] MCULE-2321750529 [0,0,0,1,0,1|1,0,1]=4 712 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [0,0,0,1,0,1|1,0,0]=3 713 B9R1.35 O=C1NC(=CS1)C(=O)O MCULE-6848220699 [0,0,0,1,0,1|1,1,0]=4 714 B9R1.35 O=C1NC(=NO1)C(=O)O MCULE-5897124585 [0,0,0,1,0,1|1,0,0]=3 715 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,1|1,0,1]=4 716 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,0,0,1,0,1|2,0,0]=4 717 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,0,1,0,1|2,0,0]=4 718 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,1|1,0,1]=4 719 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,1|1,0,1]=4 720 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,1|1,0,1]=4 721 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,1|1,0,1]=4 722 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,1|1,0,1]=4 723 B9R1.69 CC1=CC(=O)C(=CO1)O MCULE-1008730092 [0,0,0,1,0,1|2,0,0]=4 724 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [0,0,0,1,0,1|2,0,0]=4 725 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,1|1,0,1]=4 726 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,1|0,0,2]=4 727 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,1|1,0,1]=4 728 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,1|1,0,1]=4 729 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,1|1,0,1]=4 730 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,1|0,0,2]=4 731 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,1|0,0,2]=4 732 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,1|1,0,1]=4 733 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,1|1,0,1]=4 734 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,1|1,0,1]=4 735 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,1|0,0,2]=4 736 B9R1.3 CC1=C(C=COC1=O)O MCULE-7131969886 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.3 O=C1C(=COC=C1Br)O MCULE-5901670777 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.37 CC1=C(C(=O)OC1=O)Br MCULE-4236448899 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.37 CC1=C(C(=O)OC1=O)C MCULE-9372782914 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.37 CC1=C(C(OC1=O)C)O MCULE-9804613276 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.37 CC1=C(C(OC1=O)O)C MCULE-1024110805 [0,1,0,1,0,0|2,0,0]=4 742 B9R1.37 CC1OC(=O)C(=C1O)O MCULE-5304828877 [0,1,0,1,0,0|1,0,1]=4 743 B9R1.37 O=C1OC(=O)C(=C1Br)Br MCULE-7801791381 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.37 O=C1OC(=O)C(=C1Cl)Cl MCULE-3675808148 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.37 O=C1OC(=O)C(=C1F)F MCULE-6538599714 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.37 O=C1OC(C(=C1Br)Br)O MCULE-1785312425 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.37 O=C1OC(C(=C1Cl)Cl)O MCULE-4956836836 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.41 CC1=C(C=CO1)C(=O)O MCULE-6104152288 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.41 CC1=C(C=NO1)C(=O)O MCULE-3852480189 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.41 CC1=C(CCO1)C(=O)O MCULE-2847123201 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.41 CC1=C(N=CO1)C(=O)O MCULE-6634738672 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.41 CC1=C(N=NO1)C(=O)O MCULE-1088925130 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.41 CC1=COC=C1C(=O)O MCULE-1591932651 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.41 CC1=CON=C1C(=O)O MCULE-4420750357 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.41 CC1=NOC=C1C(=O)O MCULE-8677211663 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.41 CC1=NON=C1C(=O)O MCULE-3720968784 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.41 NC1=C(C=NO1)C(=O)O MCULE-8926762970 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.41 NC1=NON=C1C(=O)O MCULE-6850187023 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.41 O=C(O)C1=C(C=CS1)O MCULE-5017544087 [0,1,0,1,0,0|1,1,0]=4 760 B9R1.41 O=C(O)C1=C(OC=C1)Br MCULE-8129175514 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.41 O=C(O)C1=C(OC=C1)Cl MCULE-7654199179 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.41 O=C(O)C1=C(OC=C1)I MCULE-1256850772 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.41 O=C(O)C1=C(OC=N1)Br MCULE-7356751291 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.41 O=C(O)C1=CNNC1=O MCULE-4087238675 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.41 O=C(O)C1=COC=C1Br MCULE-8701332557 [0,1,0,1,0,0|2,0,0]=4 766 B9R1.41 O=C(O)C1=NOC=C1Cl MCULE-1396174123 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.41 O=C(O)C1=NON=C1O MCULE-2928095407 [0,1,0,1,0,0|1,0,1]=4 768 B9R1.41 O=C(O)C1=NSN=C1O MCULE-1717006967 [0,1,0,1,0,0|1,1,0]=4 769 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [0,1,0,1,0,0|1,0,1]=4 770 B9R1.41 O=C(O)N1CCOC1=O MCULE-1134006173 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.168 O=C(O)C1(CC1)C(=O)O MCULE-3457962827 [0,1,0,1,0,0|1,0,1]=4 772 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,0,0,0,0,1|2,0,0]=4 773 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [1,0,0,0,0,1|1,0,0]=3 774 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [1,0,0,0,0,1|2,0,0]=4 775 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [1,0,0,0,0,1|2,0,0]=4 776 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [1,0,0,0,0,1|1,0,0]=3 777 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,0,0,0,0,1|1,0,1]=4 778 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,0,0,0,0,1|1,0,1]=4 779 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,0,0,0,0,1|1,0,1]=4 780 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,0,0,0,0,1|1,0,1]=4 781 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [1,0,0,0,0,1|2,0,0]=4 782 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [1,0,0,0,0,1|1,0,0]=3 783 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [1,0,0,0,0,1|1,0,0]=3 784 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [1,0,0,0,0,1|2,0,0]=4 785 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [1,0,0,0,0,1|1,0,0]=3 786 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,0,0,0,0,1|1,0,1]=4 787 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,0,0,0,1|1,0,1]=4 788 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,0,0,0,0,1|1,0,1]=4 789 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [1,0,0,0,0,1|2,0,0]=4 790 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [1,0,0,0,0,1|2,0,0]=4 791 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [1,0,0,0,0,1|0,0,0]=2 792 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [1,0,0,0,0,1|0,0,0]=2 793 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [1,0,0,0,0,1|0,0,0]=2 794 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [1,0,0,0,0,1|0,0,1]=3 795 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [1,0,0,0,0,1|0,0,0]=2 796 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [1,0,0,0,0,1|0,0,0]=2 797 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [1,0,0,0,0,1|0,0,0]=2 798 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [1,0,0,0,0,1|0,0,0]=2 799 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [1,0,0,0,0,1|0,0,0]=2 800 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,0,0,0,0,1|0,0,1]=3 801 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,0,0,0,0,1|0,0,1]=3 802 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [1,0,0,0,0,1|1,0,0]=3 803 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [1,0,0,0,0,1|0,0,2]=4 804 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [1,0,0,0,0,1|0,0,2]=4 805 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [1,0,0,0,0,1|0,0,2]=4 806 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,0,0,0,0,1|0,0,2]=4 807 B9R0.7 C/C(=N/NC(=O)N)/C(=O)O MCULE-9321060192 [0,0,0,0,0,2|2,0,0]=4 808 B9R0.7 C/C(=N\NC(=O)N)/C(=O)O MCULE-7459723879 [0,0,0,0,0,2|2,0,0]=4 809 B9R0.7 C=C(C)C(=O)NCC(=O)O MCULE-9965285150 [0,0,0,0,0,2|2,0,0]=4 810 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,0,0,0,0,2|1,0,0]=3 811 B9R0.7 CC(=NNC(=O)N)C(=O)O MCULE-9419629764 [0,0,0,0,0,2|2,0,0]=4 812 B9R0.7 CC(=O)NN=C(C)C(=O)O MCULE-4949211950 [0,0,0,0,0,2|2,0,0]=4 813 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,0,0,0,2|1,0,1]=4 814 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,0,0,0,2|1,0,1]=4 815 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,0,0,0,0,2|1,0,1]=4 816 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,0,0,0,0,2|1,0,1]=4 817 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,0,0,0,0,2|1,0,1]=4 818 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,0,0,0,2|1,0,1]=4 819 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,0,0,0,2|1,0,1]=4 820 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,0,0,0,2|1,0,1]=4 821 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,0,0,0,0,2|1,0,1]=4 822 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,0,0,0,0,2|1,0,1]=4 823 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,0,2|1,0,1]=4 824 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,0,2|1,0,1]=4 825 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,0,2|1,0,1]=4 826 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,0,2|1,0,1]=4 827 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,0,2|1,0,1]=4 828 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,0,2|1,0,1]=4 829 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,0,2|1,0,1]=4 830 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,0,2|1,0,1]=4 831 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,0,2|1,0,1]=4 832 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,0,2|1,0,1]=4 833 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,0,0,0,0,2|0,0,0]=2 834 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,0,0,0,0,2|0,0,1]=3 835 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,0,0,0,0,2|1,0,1]=4 836 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,0,0,0,0,2|0,0,2]=4 837 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,0,0,0,0,2|0,0,2]=4 838 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,0,0,0,0,2|0,0,2]=4 839 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,0,0,0,0,2|1,0,1]=4 840 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,0,0,0,0,2|1,0,1]=4 841 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,0,0,0,0,2|1,0,1]=4 842 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,0,0,0,0,2|0,0,2]=4 843 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,0,0,0,0,2|0,0,0]=2 844 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,0,0,0,0,2|0,0,1]=3 845 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-2857630880 [0,0,0,0,0,2|0,0,2]=4 846 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-7607570800 [0,0,0,0,0,2|0,0,2]=4 847 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,0,2|1,0,1]=4 848 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,0,0,0,0,2|0,0,2]=4 849 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,0,0,0,0,2|1,0,0]=3 850 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,0,0,0,0,2|1,0,0]=3 851 B9R0.53 CC(=O)CC(=O)NC(=O)C MCULE-5043942110 [0,0,0,0,0,2|2,0,0]=4 852 B9R0.53 CC(=O)NC(=O)NC(=O)C MCULE-1033848283 [0,0,0,0,0,2|2,0,0]=4 853 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,0,0,0,0,2|1,0,1]=4 854 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,0,0,0,0,2|2,0,0]=4 855 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,0,0,0,0,2|2,0,0]=4 856 B9R0.53 NC(=O)NC(=O)NC(=O)N MCULE-9269358670 [0,0,0,0,0,2|2,0,0]=4 857 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,0,0,0,0,2|1,0,1]=4 858 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,0,0,0,0,2|1,0,1]=4 859 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,0,0,0,0,2|2,0,0]=4 860 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,0,0,0,0,2|1,0,0]=3 861 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,0,0,0,0,2|0,0,0]=2 862 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,0,0,0,0,2|0,0,2]=4 863 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,0,0,0,0,2|1,0,0]=3