0 B7R0.18 C#CC(N)(CC)CC MCULE-3723234977 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.18 C#CC(N)(CC)CC MCULE-5947266532 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.18 C=CC(C)(CC)CO MCULE-3218490864 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.18 CC(C=O)(CO)CO MCULE-2216366062 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.18 CC(CCl)(CCl)CCl MCULE-8159971325 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.18 CC(CN)(CN)CN MCULE-7950321638 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.18 CC(CN)(CO)CO MCULE-8513833512 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.18 CC(CO)(CO)CBr MCULE-5696396166 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.18 CC(CO)(CO)CO MCULE-1228441837 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.18 CCC(Br)(CC)CC MCULE-9712538049 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.18 CCC(C)(CC)CC MCULE-8385527448 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.18 CCC(C)(CC)CN MCULE-8216748689 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.18 CCC(C)(CC)CN MCULE-8692148167 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.18 CCC(C)(CN)CO MCULE-2703250369 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.18 CCC(C)(CO)CO MCULE-6918244309 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.18 CCC(C)(CO)OC MCULE-2048434225 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.18 CCC(Cl)(CC)CC MCULE-7993319723 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.18 CCC(N)(C#N)CC MCULE-4136160537 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.18 CCC(N)(CC)CC MCULE-4252517795 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.18 CCC(N)(CC)CC MCULE-5828916987 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.18 CCC(N)(CC)CN MCULE-7290366649 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.18 CCC(N)(CC)CO MCULE-7822189565 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.18 CCC(N)(CO)CO MCULE-6627376273 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.18 CCC(O)(CC)CC MCULE-8613720853 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.18 CCC(O)(CC)CN MCULE-7676729679 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.18 CCC(O)(CC)CO MCULE-5622837545 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.18 CCC(S)(CC)CC MCULE-7702941472 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.18 COC(C)(CN)CO MCULE-1091911796 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.18 COC(N)(CO)CO MCULE-3562349590 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.18 COC(N)(CO)CO MCULE-5361347592 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.18 NC(CO)(CO)CO MCULE-1491189847 [0,0,0,0,0,0|0,0,0]=0 31 B7R0.18 NC(CO)(CO)CO MCULE-2267999286 [0,0,0,0,0,0|0,0,0]=0 32 B7R0.18 NC(CO)(CO)CO MCULE-4100030243 [0,0,0,0,0,0|0,0,0]=0 33 B7R0.18 NC(CO)(CO)CO MCULE-4852633554 [0,0,0,0,0,0|0,0,0]=0 34 B7R0.18 NC(CO)(CO)CO MCULE-6369744326 [0,0,0,0,0,0|0,0,0]=0 35 B7R0.18 NC(CO)(CO)CO MCULE-7300085951 [0,0,0,0,0,0|0,0,0]=0 36 B7R0.18 NC(CO)(CO)CO MCULE-8252586319 [0,0,0,0,0,0|0,0,0]=0 37 B7R0.18 NC(CO)(CO)CO MCULE-8592789920 [0,0,0,0,0,0|0,0,0]=0 38 B7R0.18 NC(CO)(CO)CO MCULE-9200014500 [0,0,0,0,0,0|0,0,0]=0 39 B7R0.18 [NH3+]C(CO)(CO)CO MCULE-6464912245 [0,0,0,0,0,0|0,0,1]=1 40 B6R0.8 C#CC(C)(C)CO MCULE-2912434983 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.8 C#CC(C)(N)CC MCULE-1327940404 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.8 C#CC(C)(N)CC MCULE-2834355427 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.8 C#CC(C)(N)CC MCULE-4013726030 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.8 C#CC(C)(N)CC MCULE-4630359970 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.8 C=CC(C)(C)CO MCULE-8447675743 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.8 CC(C)(C#N)CO MCULE-3713618417 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.8 CC(C)(CBr)CBr MCULE-3867295521 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.8 CC(C)(CCl)CCl MCULE-4414378658 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.8 CC(C)(CN)CF MCULE-4530368386 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.8 CC(C)(CN)CF MCULE-7783060235 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.8 CC(C)(CN)CN MCULE-6969888863 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.8 CC(C)(CN)CO MCULE-5342400231 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.8 CC(C)(CO)CBr MCULE-5392401561 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.8 CC(C)(CO)CCl MCULE-4674403441 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.8 CC(C)(CO)CF MCULE-4462488929 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.8 CC(C)(CO)CO MCULE-3663555151 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.8 CC(C)(CO)CS MCULE-2478254611 [1,0,0,0,0,0|1,1,0]=3 59 B6R0.8 CC(C)(CO)ON MCULE-7229580612 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.8 CC(C)(CO)ON MCULE-9993526575 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.8 CC(F)(CO)CO MCULE-6086305692 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.8 CC(N)(C#N)CO MCULE-2492555292 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.8 CC(N)(CO)CO MCULE-6546409175 [1,0,0,0,0,0|0,0,0]=1 64 B6R0.8 CC(O)(CN)CO MCULE-2184919268 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.8 CC(O)(CO)CO MCULE-5281000424 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.8 CCC(C)(Br)CC MCULE-6306783726 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.8 CCC(C)(C)CC MCULE-7259470376 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.8 CCC(C)(C)CN MCULE-2321746087 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.8 CCC(C)(C)CN MCULE-9058132626 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.8 CCC(C)(C)CO MCULE-9731698451 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.8 CCC(C)(Cl)CC MCULE-2958469449 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.8 CCC(C)(N)C#N MCULE-3668256074 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.8 CCC(C)(N)C#N MCULE-8050998496 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.8 CCC(C)(N)CC MCULE-6775882748 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.8 CCC(C)(N)CC MCULE-8120212652 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.8 CCC(C)(N)CN MCULE-3477587448 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.8 CCC(C)(N)CO MCULE-3364837123 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.8 CCC(C)(N)CO MCULE-6671299764 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.8 CCC(C)(O)CC MCULE-2300322554 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.8 CCC(C)(O)CN MCULE-2912898926 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.8 CCC(C)(O)CO MCULE-7272709587 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.8 CCC(F)(F)CO MCULE-9442155245 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.8 CNC(C)(C)CO MCULE-6733742999 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.8 CNC(C)(C)CO MCULE-8497514322 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.8 COC(C)(C)CO MCULE-2208581417 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.8 CSC(C)(C)CO MCULE-7955741611 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.8 C[C@](O)(CO)CBr MCULE-3211170790 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.8 NCC(F)(F)CO MCULE-1734067533 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.8 NCC(F)(F)CO MCULE-6456961834 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.8 OCC(F)(F)CO MCULE-8504062479 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.9 CCC(CBr)CBr MCULE-6164388407 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.9 CCC(CC)CBr MCULE-7035205946 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.9 CCC(CC)CC MCULE-4259310191 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.9 CCC(CC)CI MCULE-7444274747 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.9 CCC(CC)CN MCULE-2344837203 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.9 CCC(CC)CN MCULE-5753995416 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.9 CCC(CC)CO MCULE-8799293985 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.9 CCC(CN)CN MCULE-8523664234 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.9 CCC(CN)CO MCULE-5933181303 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.9 CCC(CO)CO MCULE-5204077076 [1,0,0,0,0,0|1,0,0]=2 101 B6R0.9 CCC(CO)NC MCULE-4151180539 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.9 CCC(CO)OC MCULE-3822452142 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.9 CCN(CC)CO MCULE-9782453115 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.9 CC[C@@H](CO)NC MCULE-6281808613 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.9 CNC(CN)CO MCULE-7006149115 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.9 CNC(CO)CO MCULE-9323859576 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.9 COC(CN)CO MCULE-2486586573 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.9 COC(CN)CO MCULE-3908535917 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.9 COC(CO)CBr MCULE-4957036064 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.9 COC(CO)CO MCULE-4778743592 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.9 CO[C@H](CN)CO MCULE-6065862053 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.9 OCC(=NO)CO MCULE-1131100831 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.9 OCC(CBr)CBr MCULE-4153091765 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.9 OCC(CO)CO MCULE-7640074192 [1,0,0,0,0,0|0,0,0]=1 115 B6R0.9 OCP(CO)CO MCULE-9792692156 [1,0,0,0,0,0|1,0,0]=2 116 B8R0.10 CCC(C#N)(CC)CO MCULE-5070673918 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.10 CCC(CC)(CC)CO MCULE-9495100996 [0,1,0,0,0,0|3,0,0]=4 118 B8R0.10 CCC(CC)(CN)CO MCULE-1639193647 [0,1,0,0,0,0|2,0,0]=3 119 B8R0.10 CCC(CC)(CO)CO MCULE-5040606043 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.10 CCC(CC)(CO)SC MCULE-7532568125 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.10 CCC(CO)(CO)CO MCULE-6600552830 [0,1,0,0,0,0|1,0,0]=2 122 B8R0.10 COC(CO)(CO)OC MCULE-8658720521 [0,1,0,0,0,0|3,0,0]=4 123 B8R0.10 NCC(CN)(CN)CN MCULE-5838827087 [0,1,0,0,0,0|3,0,0]=4 124 B8R0.10 NCC(CN)(CN)CN MCULE-7638204298 [0,1,0,0,0,0|3,0,0]=4 125 B8R0.10 NCC(CN)(CO)CO MCULE-2545034466 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.10 NCC(CN)(CO)CO MCULE-8762629992 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.10 OCC(CBr)(CBr)CBr MCULE-6076771996 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.10 OCC(CCl)(CCl)CCl MCULE-4275446964 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.10 OCC(CO)(CBr)CBr MCULE-8124901418 [0,1,0,0,0,0|2,0,0]=3 130 B8R0.10 OCC(CO)(CCl)CCl MCULE-6375142256 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.10 OCC(CO)(CO)CBr MCULE-4643535263 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.10 OCC(CO)(CO)CO MCULE-7635228253 [0,1,0,0,0,0|1,0,0]=2 133 B8R0.10 OC[P+](CO)(CO)CO MCULE-2717917732 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.10 OC[P+](CO)(CO)CO MCULE-4479763587 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.10 OC[P+](CO)(CO)CO MCULE-5923906465 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.10 OC[P+](CO)(CO)CO MCULE-6133870520 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.31 CC(CN)(CO)CCO MCULE-4538062764 [0,1,0,0,0,0|2,0,0]=3 138 B8R0.31 CCC(N)(CC)CCO MCULE-8611881529 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.31 CCC(O)(CC)COC MCULE-4305090568 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.31 CCCC(C)(CO)CO MCULE-8778153565 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.31 CNC(C)(CO)COC MCULE-6268672798 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.31 CNCC(C)(CO)CO MCULE-7241708238 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.31 COCC(C)(CO)CO MCULE-6360474797 [0,1,0,0,0,0|1,0,0]=2 144 B8R0.36 C=CC(N)(CO)C(=O)O MCULE-8811599430 [0,1,0,0,0,0|1,0,2]=4 145 B8R0.36 CC(CO)(CO)C(=O)O MCULE-5702110239 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.36 CC(CO)(CO)N(=O)=O MCULE-2578291849 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.36 CCC(C)(CN)C(C)O MCULE-6950019734 [0,1,0,0,0,0|3,0,0]=4 148 B8R0.36 CCC(C)(CO)C(=O)O MCULE-7481967307 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9609626868 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9646246236 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.36 O=N(=O)C(Br)(CO)CO MCULE-8711651659 [0,1,0,0,0,0|2,0,1]=4 152 B8R1.52 CC1(CCCC1)CO MCULE-5781311918 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.52 CC1(CCNC1)CO MCULE-4860869358 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.52 CC1(CCNC1)CO MCULE-5952337109 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.52 CC1(CCNC1)CO MCULE-8822036636 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.52 CC1(CCOC1)CBr MCULE-6515619846 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.52 CC1(CCOC1)CN MCULE-4260151246 [0,0,0,1,0,0|3,0,0]=4 158 B8R1.52 CC1(CCOC1)CO MCULE-7949441451 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.52 CCC1(CCCC1)N MCULE-6321282069 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.52 CCC1(CCCC1)N MCULE-9310297702 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.52 CCC1(CCOC1)N MCULE-8793166698 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.52 CCC1(CCOC1)N MCULE-9932095979 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.52 CCC1(CCOC1)O MCULE-9156641960 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.52 C[C@@]1(CCNC1)CO MCULE-4028027381 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.52 C[C@@]1(CCNC1)CO MCULE-5703640559 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.52 C[C@@]1(CCOC1)CN MCULE-6847854708 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.52 C[C@@]1(CCOC1)CO MCULE-7732534995 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.52 C[C@]1(CCNC1)CO MCULE-3181896367 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.52 C[C@]1(CCNC1)CO MCULE-5981712550 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.52 C[C@]1(CCOC1)CO MCULE-3142340099 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.52 N#CC1(CCOC1)N MCULE-4041718541 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.52 N#CC1(CCOC1)N MCULE-9011178291 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.52 NC1(CC=CC1)CO MCULE-5106747123 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.52 NC1(CC=CC1)CO MCULE-8638464155 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.52 NC1(CCCC1)CO MCULE-6075612462 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.52 NC1(CCCC1)CO MCULE-6080383421 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.52 NC1(CCCC1)CO MCULE-9669923041 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.52 NC1(CCNC1)CO MCULE-5174166000 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.52 NC1(CCNC1)CO MCULE-7340627867 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.52 NC1(CCOC1)CO MCULE-9666933944 [0,0,0,1,0,0|1,0,0]=2 181 B8R1.52 NC1(CCSC1)CO MCULE-2703002887 [0,0,0,1,0,0|1,1,0]=3 182 B8R1.52 NCC1(CCCC1)N MCULE-1134056027 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.52 NCC1(CCCC1)N MCULE-5743820145 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.52 NCC1(CCOC1)F MCULE-1120303922 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.52 NCC1(CCOC1)F MCULE-4396555008 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.52 NCC1(CCOC1)O MCULE-1810319650 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.52 NCC1(CCOC1)O MCULE-9097947174 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.52 N[C@]1(CCOC1)CO MCULE-4577771704 [0,0,0,1,0,0|1,0,0]=2 189 B8R1.52 OCC1(CCCC1)F MCULE-3500711576 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.52 OCC1(CCCC1)O MCULE-2433996412 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.52 OCC1(CCNC1)F MCULE-1926268666 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.52 OCC1(CCNC1)F MCULE-9900094466 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.52 OCC1(CCNC1)O MCULE-3674536626 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.52 OCC1(CCNC1)O MCULE-5764281061 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.52 OCC1(CCOC1)O MCULE-3033948661 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.52 OCC1(CCSC1)O MCULE-1555119227 [0,0,0,1,0,0|2,1,0]=4 197 B8R1.52 OC[C@@]1(CCNC1)O MCULE-1108854673 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.52 OC[C@@]1(CCNC1)O MCULE-3832592153 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.60 BrCC1(COC1)CBr MCULE-4860924419 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.60 CCC1(CCC1)CO MCULE-8935555636 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.60 CCC1(CCN1)CC MCULE-7402790797 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.60 CCC1(CCN1)CC MCULE-9725435541 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.60 CCC1(CNC1)CO MCULE-9540597124 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.60 CCC1(CNC1)CO MCULE-9559629754 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.60 CCC1(COC1)CN MCULE-3839708172 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.60 CCC1(COC1)CO MCULE-2897589234 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.60 CNC1(COC1)CO MCULE-8641401682 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.60 COC1(COC1)CO MCULE-6211074024 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.60 ClCC1(COC1)CBr MCULE-9413512791 [0,0,0,1,0,0|3,0,0]=4 210 B8R1.60 ClCC1(COC1)CCl MCULE-7409787863 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.60 ClCC1(COC1)CI MCULE-8535806215 [0,0,0,1,0,0|3,0,0]=4 212 B8R1.60 FCC1(COC1)CBr MCULE-8987480717 [0,0,0,1,0,0|3,0,0]=4 213 B8R1.60 FCC1(COC1)CF MCULE-1500682746 [0,0,0,1,0,0|3,0,0]=4 214 B8R1.60 ICC1(COC1)CI MCULE-7784735292 [0,0,0,1,0,0|3,0,0]=4 215 B8R1.60 N#CC1(COC1)CO MCULE-2271504822 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.60 NCC1(CCC1)CO MCULE-1172328932 [0,0,0,1,0,0|3,0,0]=4 217 B8R1.60 NCC1(COC1)CN MCULE-1064736831 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.60 NCC1(COC1)CN MCULE-6465943815 [0,0,0,1,0,0|3,0,0]=4 219 B8R1.60 NCC1(COC1)CN MCULE-7809081629 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.60 NCC1(COC1)CO MCULE-1783285626 [0,0,0,1,0,0|2,0,0]=3 221 B8R1.60 NCC1(COC1)CO MCULE-3048601000 [0,0,0,1,0,0|2,0,0]=3 222 B8R1.60 NCC1(COC1)CO MCULE-3898272893 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.60 NCC1(COC1)CO MCULE-4439878564 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.60 OCC1(CCC1)CO MCULE-9363912183 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.60 OCC1(CNC1)CO MCULE-5014363995 [0,0,0,1,0,0|2,0,0]=3 226 B8R1.60 OCC1(CNC1)CO MCULE-6901944160 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.60 OCC1(COC1)CBr MCULE-3087523910 [0,0,0,1,0,0|2,0,0]=3 228 B8R1.60 OCC1(COC1)CCl MCULE-9506954362 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.60 OCC1(COC1)CF MCULE-6736999824 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.60 OCC1(COC1)CO MCULE-8593151308 [0,0,0,1,0,0|1,0,0]=2 231 B8R1.64 OCC1(CC1F)CO MCULE-3851227748 [0,0,0,1,0,0|2,0,0]=3 232 B5R0.3 C#CC(N)CO MCULE-2442851523 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.3 C#CC(N)CO MCULE-3866086926 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.3 C=C(CO)CO MCULE-2682601949 [2,0,0,0,0,0|0,0,2]=4 239 B5R0.3 C=CC(N)CO MCULE-2457433196 [2,0,0,0,0,0|1,0,1]=4 240 B5R0.3 C=CC(N)CO MCULE-6697949182 [2,0,0,0,0,0|1,0,1]=4 241 B5R0.3 C=CC(N)CO MCULE-7137123222 [2,0,0,0,0,0|1,0,1]=4 242 B5R0.3 C=CC(N)CO MCULE-8388687355 [2,0,0,0,0,0|1,0,1]=4 243 B5R0.3 C=CC(O)CO MCULE-6172654550 [2,0,0,0,0,0|1,0,1]=4 244 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [2,0,0,0,0,0|1,0,1]=4 245 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [2,0,0,0,0,0|1,0,1]=4 246 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [2,0,0,0,0,0|1,0,1]=4 247 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [2,0,0,0,0,0|1,0,1]=4 248 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [2,0,0,0,0,0|1,0,1]=4 249 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [2,0,0,0,0,0|1,0,1]=4 250 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [2,0,0,0,0,0|1,0,1]=4 252 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [2,0,0,0,0,0|1,0,1]=4 253 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [2,0,0,0,0,0|1,0,1]=4 254 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [2,0,0,0,0,0|1,0,1]=4 255 B5R0.3 CC(C#N)CO MCULE-1644391554 [2,0,0,0,0,0|1,0,1]=4 256 B5R0.3 CC(CBr)CBr MCULE-7586113999 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.3 CC(CCl)CBr MCULE-5101754687 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.3 CC(CCl)CCl MCULE-1169456620 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.3 CC(CI)CI MCULE-4568725580 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.3 CC(CN)CCl MCULE-2423692318 [2,0,0,0,0,0|2,0,0]=4 261 B5R0.3 CC(CN)CCl MCULE-8419541212 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.3 CC(CN)CN MCULE-1464804013 [2,0,0,0,0,0|2,0,0]=4 263 B5R0.3 CC(CN)CN MCULE-3273307813 [2,0,0,0,0,0|2,0,0]=4 264 B5R0.3 CC(CN)CO MCULE-5880795484 [2,0,0,0,0,0|1,0,0]=3 265 B5R0.3 CC(CN)CO MCULE-8083007887 [2,0,0,0,0,0|1,0,0]=3 266 B5R0.3 CC(CO)CBr MCULE-3815333295 [2,0,0,0,0,0|1,0,0]=3 267 B5R0.3 CC(CO)CBr MCULE-5695891877 [2,0,0,0,0,0|1,0,0]=3 268 B5R0.3 CC(CO)CO MCULE-2340730326 [2,0,0,0,0,0|0,0,0]=2 269 B5R0.3 CC(CO)CS MCULE-1990992504 [2,0,0,0,0,0|0,1,0]=3 270 B5R0.3 CC(CO)NN MCULE-3362748538 [2,0,0,0,0,0|2,0,0]=4 271 B5R0.3 CC(CO)NN MCULE-4440318216 [2,0,0,0,0,0|2,0,0]=4 272 B5R0.3 CCC(Br)CO MCULE-7211805716 [2,0,0,0,0,0|2,0,0]=4 273 B5R0.3 CCC(C)CBr MCULE-5451416952 [2,0,0,0,0,0|2,0,0]=4 274 B5R0.3 CCC(C)CC MCULE-2542807917 [2,0,0,0,0,0|2,0,0]=4 275 B5R0.3 CCC(C)CCl MCULE-7450386476 [2,0,0,0,0,0|2,0,0]=4 276 B5R0.3 CCC(C)CI MCULE-5444509280 [2,0,0,0,0,0|2,0,0]=4 277 B5R0.3 CCC(C)CN MCULE-2777327284 [2,0,0,0,0,0|2,0,0]=4 278 B5R0.3 CCC(C)CN MCULE-7014901600 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.3 CCC(C)CO MCULE-6521026296 [2,0,0,0,0,0|1,0,0]=3 280 B5R0.3 CCC(C)CS MCULE-7795095685 [2,0,0,0,0,0|1,1,0]=4 281 B5R0.3 CCC(C)NO MCULE-1247092627 [2,0,0,0,0,0|2,0,0]=4 282 B5R0.3 CCC(C)NO MCULE-6169819668 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.3 CCC(Cl)CO MCULE-1756262629 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.3 CCC(N)CBr MCULE-3567691924 [2,0,0,0,0,0|2,0,0]=4 285 B5R0.3 CCC(N)CC MCULE-4261937519 [2,0,0,0,0,0|2,0,0]=4 286 B5R0.3 CCC(N)CC MCULE-5899128891 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.3 CCC(N)CN MCULE-6911484065 [2,0,0,0,0,0|2,0,0]=4 288 B5R0.3 CCC(N)CN MCULE-8376506697 [2,0,0,0,0,0|2,0,0]=4 289 B5R0.3 CCC(N)CO MCULE-1135809021 [2,0,0,0,0,0|1,0,0]=3 290 B5R0.3 CCC(N)CO MCULE-7588854111 [2,0,0,0,0,0|1,0,0]=3 291 B5R0.3 CCC(O)CBr MCULE-4205031860 [2,0,0,0,0,0|2,0,0]=4 292 B5R0.3 CCC(O)CC MCULE-5553645045 [2,0,0,0,0,0|2,0,0]=4 293 B5R0.3 CCC(O)CCl MCULE-8359810208 [2,0,0,0,0,0|2,0,0]=4 294 B5R0.3 CCC(O)CN MCULE-5197026448 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.3 CCC(O)CO MCULE-2488753438 [2,0,0,0,0,0|1,0,0]=3 296 B5R0.3 CCC(O)CO MCULE-7297282094 [2,0,0,0,0,0|1,0,0]=3 297 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [2,0,0,0,0,0|2,0,0]=4 298 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [2,0,0,0,0,0|2,0,0]=4 299 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [2,0,0,0,0,0|1,0,0]=3 300 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [2,0,0,0,0,0|1,0,0]=3 301 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [2,0,0,0,0,0|1,0,0]=3 302 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [2,0,0,0,0,0|1,0,0]=3 303 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [2,0,0,0,0,0|2,0,0]=4 304 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [2,0,0,0,0,0|2,0,0]=4 305 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [2,0,0,0,0,0|1,0,0]=3 306 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [2,0,0,0,0,0|1,0,0]=3 307 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [2,0,0,0,0,0|2,0,0]=4 309 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [2,0,0,0,0,0|2,0,0]=4 314 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [2,0,0,0,0,0|1,0,0]=3 317 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [2,0,0,0,0,0|1,0,0]=3 324 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.3 CNC(C)CO MCULE-3841057780 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.3 CNC(C)CO MCULE-6474892275 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [2,0,0,0,0,0|2,0,0]=4 329 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [2,0,0,0,0,0|2,0,0]=4 330 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.3 COC(C)CO MCULE-5269990702 [2,0,0,0,0,0|2,0,0]=4 336 B5R0.3 COC(C)CO MCULE-7173093332 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.3 CSC(C)CO MCULE-4646435737 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [2,0,0,0,0,0|1,0,0]=3 343 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [2,0,0,0,0,0|1,0,0]=3 344 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [2,0,0,0,0,0|1,0,0]=3 345 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [2,0,0,0,0,0|1,0,0]=3 346 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [2,0,0,0,0,0|1,0,0]=3 347 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.3 N#CC(N)CO MCULE-5918855868 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.3 N#CC(N)CO MCULE-8439000158 [2,0,0,0,0,0|1,0,1]=4 350 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.3 NC(CF)CF MCULE-4671221738 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.3 NC(CF)CF MCULE-8916274721 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.3 NC(CO)CF MCULE-3756808200 [2,0,0,0,0,0|1,0,0]=3 354 B5R0.3 NC(CO)CF MCULE-9468719402 [2,0,0,0,0,0|1,0,0]=3 355 B5R0.3 NC(CO)CO MCULE-1559988016 [2,0,0,0,0,0|0,0,0]=2 356 B5R0.3 NC(CO)CO MCULE-4954119952 [2,0,0,0,0,0|0,0,0]=2 357 B5R0.3 NCC(F)CO MCULE-6156319956 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.3 NCC(F)CO MCULE-7472307328 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.3 NCC(O)CCl MCULE-1566349721 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.3 NCC(O)CCl MCULE-3532626994 [2,0,0,0,0,0|2,0,0]=4 361 B5R0.3 NCC(O)CCl MCULE-5045913208 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.3 NCC(O)CCl MCULE-7168455596 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.3 NCC(O)CF MCULE-7529777116 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.3 NCC(O)CF MCULE-8092861019 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.3 NCC(O)CN MCULE-4689186078 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.3 NCC(O)CO MCULE-2689763818 [2,0,0,0,0,0|1,0,0]=3 367 B5R0.3 NCC(O)CO MCULE-6096620010 [2,0,0,0,0,0|1,0,0]=3 368 B5R0.3 NCC(O)CO MCULE-7307777212 [2,0,0,0,0,0|1,0,0]=3 369 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [2,0,0,0,0,0|1,0,0]=3 372 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [2,0,0,0,0,0|1,0,0]=3 373 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [2,0,0,0,0,0|1,0,0]=3 378 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [2,0,0,0,0,0|1,0,0]=3 384 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [2,0,0,0,0,0|1,0,0]=3 385 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [2,0,0,0,0,0|2,0,0]=4 386 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [2,0,0,0,0,0|2,0,0]=4 389 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [2,0,0,0,0,0|1,0,0]=3 390 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [2,0,0,0,0,0|1,0,0]=3 392 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [2,0,0,0,0,0|1,0,0]=3 393 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [2,0,0,0,0,0|1,0,0]=3 395 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [2,0,0,0,0,0|1,0,0]=3 396 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [2,0,0,0,0,0|1,0,0]=3 399 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [2,0,0,0,0,0|1,0,0]=3 400 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [2,0,0,0,0,0|1,0,0]=3 401 B5R0.3 O=C(CO)CO MCULE-7188810449 [2,0,0,0,0,0|0,0,2]=4 402 B5R0.3 O=CC(O)CO MCULE-9581740191 [2,0,0,0,0,0|0,0,2]=4 403 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [2,0,0,0,0,0|0,0,2]=4 404 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [2,0,0,0,0,0|0,0,2]=4 405 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [2,0,0,0,0,0|0,0,2]=4 406 B5R0.3 OC(CBr)CBr MCULE-9071238259 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.3 OC(CCl)CBr MCULE-3844020597 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.3 OC(CCl)CCl MCULE-7873018520 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.3 OC(CCl)CI MCULE-3276637880 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.3 OC(CF)CBr MCULE-3915880352 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.3 OC(CF)CCl MCULE-6441743377 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.3 OC(CF)CF MCULE-3360341794 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.3 OC(CI)CI MCULE-6842895270 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.3 OCC(Br)CBr MCULE-9616107956 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.3 OCC(Br)CO MCULE-9272628834 [2,0,0,0,0,0|1,0,0]=3 416 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.3 OCC(Cl)CO MCULE-7487945326 [2,0,0,0,0,0|1,0,0]=3 418 B5R0.3 OCC(F)CBr MCULE-2889937576 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.3 OCC(F)CO MCULE-2970537690 [2,0,0,0,0,0|1,0,0]=3 420 B5R0.3 OCC(O)CBr MCULE-9116190245 [2,0,0,0,0,0|1,0,0]=3 421 B5R0.3 OCC(O)CCl MCULE-7895191088 [2,0,0,0,0,0|1,0,0]=3 422 B5R0.3 OCC(O)CCl MCULE-8992242488 [2,0,0,0,0,0|1,0,0]=3 423 B5R0.3 OCC(O)CF MCULE-3575952891 [2,0,0,0,0,0|1,0,0]=3 424 B5R0.3 OCC(O)CF MCULE-8981430411 [2,0,0,0,0,0|1,0,0]=3 425 B5R0.3 OCC(O)CI MCULE-6705992930 [2,0,0,0,0,0|1,0,0]=3 426 B5R0.3 OCC(O)CO MCULE-6349111826 [2,0,0,0,0,0|0,0,0]=2 427 B5R0.3 OCC(O)CS MCULE-6300188207 [2,0,0,0,0,0|0,1,0]=3 428 B5R0.3 OCC(S)CS MCULE-9735516119 [2,0,0,0,0,0|0,2,0]=4 429 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [2,0,0,0,0,0|1,0,0]=3 430 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [2,0,0,0,0,0|1,0,0]=3 431 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [2,0,0,0,0,0|1,0,0]=3 432 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [2,0,0,0,0,0|1,0,0]=3 433 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [2,0,0,0,0,0|1,0,0]=3 434 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [2,0,0,0,0,0|1,0,0]=3 435 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [2,0,0,0,0,0|1,0,0]=3 436 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [2,0,0,0,0,0|1,0,0]=3 437 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [2,0,0,0,0,0|1,0,0]=3 438 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [2,0,0,0,0,0|2,0,0]=4 441 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [2,0,0,0,0,0|2,0,0]=4 442 B5R0.4 C#CC(C)(C)N MCULE-3908309106 [2,0,0,0,0,0|1,0,1]=4 443 B5R0.4 C#CC(C)(C)N MCULE-4795277170 [2,0,0,0,0,0|1,0,1]=4 444 B5R0.4 C=CC(C)(C)N MCULE-2016559865 [2,0,0,0,0,0|1,0,1]=4 445 B5R0.4 C=CC(C)(C)N MCULE-2690537002 [2,0,0,0,0,0|1,0,1]=4 446 B5R0.4 CC(C)(Br)CBr MCULE-2393829265 [2,0,0,0,0,0|2,0,0]=4 447 B5R0.4 CC(C)(Br)CCl MCULE-4498591413 [2,0,0,0,0,0|2,0,0]=4 448 B5R0.4 CC(C)(Br)CN MCULE-3220115637 [2,0,0,0,0,0|2,0,0]=4 449 B5R0.4 CC(C)(Br)CN MCULE-3391853433 [2,0,0,0,0,0|2,0,0]=4 450 B5R0.4 CC(C)(Br)CN MCULE-3819869078 [2,0,0,0,0,0|2,0,0]=4 451 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [2,0,0,0,0,0|1,0,0]=3 452 B5R0.4 CC(C)(C)CBr MCULE-7545541733 [2,0,0,0,0,0|2,0,0]=4 453 B5R0.4 CC(C)(C)CCl MCULE-1595599055 [2,0,0,0,0,0|2,0,0]=4 454 B5R0.4 CC(C)(C)CI MCULE-6879787789 [2,0,0,0,0,0|2,0,0]=4 455 B5R0.4 CC(C)(C)CN MCULE-1062894260 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.4 CC(C)(C)CN MCULE-2736289460 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.4 CC(C)(C)CN MCULE-5919012916 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.4 CC(C)(C)CN MCULE-6772338754 [2,0,0,0,0,0|2,0,0]=4 459 B5R0.4 CC(C)(C)CN MCULE-8882959753 [2,0,0,0,0,0|2,0,0]=4 460 B5R0.4 CC(C)(C)CO MCULE-4399535684 [2,0,0,0,0,0|1,0,0]=3 461 B5R0.4 CC(C)(C)CS MCULE-7279455818 [2,0,0,0,0,0|1,1,0]=4 462 B5R0.4 CC(C)(C)NO MCULE-4676405280 [2,0,0,0,0,0|2,0,0]=4 463 B5R0.4 CC(C)(C)NO MCULE-6482556352 [2,0,0,0,0,0|2,0,0]=4 464 B5R0.4 CC(C)(C)NO MCULE-7368313644 [2,0,0,0,0,0|2,0,0]=4 465 B5R0.4 CC(C)(C)OO MCULE-2835127745 [2,0,0,0,0,0|2,0,0]=4 466 B5R0.4 CC(C)(Cl)CCl MCULE-3251179033 [2,0,0,0,0,0|2,0,0]=4 467 B5R0.4 CC(C)(F)CBr MCULE-3412419931 [2,0,0,0,0,0|2,0,0]=4 468 B5R0.4 CC(C)(F)CI MCULE-8224019070 [2,0,0,0,0,0|2,0,0]=4 469 B5R0.4 CC(C)(F)CN MCULE-3150098249 [2,0,0,0,0,0|2,0,0]=4 470 B5R0.4 CC(C)(F)CN MCULE-8647719519 [2,0,0,0,0,0|2,0,0]=4 471 B5R0.4 CC(C)(F)CO MCULE-1700621997 [2,0,0,0,0,0|1,0,0]=3 472 B5R0.4 CC(C)(N)C#N MCULE-4837687196 [2,0,0,0,0,0|1,0,1]=4 473 B5R0.4 CC(C)(N)C#N MCULE-7947575054 [2,0,0,0,0,0|1,0,1]=4 474 B5R0.4 CC(C)(N)CCl MCULE-2098848089 [2,0,0,0,0,0|1,0,0]=3 475 B5R0.4 CC(C)(N)CCl MCULE-2847180011 [2,0,0,0,0,0|1,0,0]=3 476 B5R0.4 CC(C)(N)CF MCULE-3102233948 [2,0,0,0,0,0|1,0,0]=3 477 B5R0.4 CC(C)(N)CF MCULE-9737357598 [2,0,0,0,0,0|1,0,0]=3 478 B5R0.4 CC(C)(N)CN MCULE-4218187677 [2,0,0,0,0,0|1,0,0]=3 479 B5R0.4 CC(C)(N)CN MCULE-6476068080 [2,0,0,0,0,0|1,0,0]=3 480 B5R0.4 CC(C)(N)CO MCULE-4072416202 [2,0,0,0,0,0|0,0,0]=2 481 B5R0.4 CC(C)(N)CO MCULE-4209651459 [2,0,0,0,0,0|0,0,0]=2 482 B5R0.4 CC(C)(N)CO MCULE-6047079177 [2,0,0,0,0,0|0,0,0]=2 483 B5R0.4 CC(C)(O)CBr MCULE-6366129174 [2,0,0,0,0,0|2,0,0]=4 484 B5R0.4 CC(C)(O)CCl MCULE-3118028441 [2,0,0,0,0,0|2,0,0]=4 485 B5R0.4 CC(C)(O)CF MCULE-6616447132 [2,0,0,0,0,0|2,0,0]=4 486 B5R0.4 CC(C)(O)CI MCULE-5132198363 [2,0,0,0,0,0|2,0,0]=4 487 B5R0.4 CC(C)(O)CN MCULE-5270413077 [2,0,0,0,0,0|2,0,0]=4 488 B5R0.4 CC(C)(O)CN MCULE-7438555366 [2,0,0,0,0,0|2,0,0]=4 489 B5R0.4 CC(C)(O)CO MCULE-6797456030 [2,0,0,0,0,0|1,0,0]=3 490 B5R0.4 CC(C)(O)CS MCULE-2370088388 [2,0,0,0,0,0|1,1,0]=4 491 B5R0.4 CC(C)(S)CN MCULE-4256015369 [2,0,0,0,0,0|2,0,0]=4 492 B5R0.4 CC(C)(S)CN MCULE-8836856580 [2,0,0,0,0,0|2,0,0]=4 493 B5R0.4 CC(C)(S)CO MCULE-6119329508 [2,0,0,0,0,0|1,0,0]=3 494 B5R0.4 CC(F)(F)CO MCULE-1049181656 [2,0,0,0,0,0|2,0,0]=4 495 B5R0.4 CCC(C)(C)Br MCULE-8895489875 [2,0,0,0,0,0|2,0,0]=4 496 B5R0.4 CCC(C)(C)C MCULE-3388707671 [2,0,0,0,0,0|2,0,0]=4 497 B5R0.4 CCC(C)(C)Cl MCULE-9597829372 [2,0,0,0,0,0|2,0,0]=4 498 B5R0.4 CCC(C)(C)I MCULE-3678105747 [2,0,0,0,0,0|2,0,0]=4 499 B5R0.4 CCC(C)(C)N MCULE-5538333672 [2,0,0,0,0,0|1,0,0]=3 500 B5R0.4 CCC(C)(C)O MCULE-7894262803 [2,0,0,0,0,0|2,0,0]=4 501 B5R0.4 C[Si](C)(C)CO MCULE-7434746060 [2,0,0,0,0,0|1,1,0]=4 502 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [2,0,0,0,0,0|2,0,0]=4 503 B7R0.11 C#CCC(C)(C)CO MCULE-6291879237 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.11 C=CCC(C)(C)CO MCULE-7471335170 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.11 CC(C)(CN)CCO MCULE-8453542373 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.11 CC(C)(CO)CC#N MCULE-2362583171 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.11 CC(C)(CO)CCN MCULE-5221703852 [1,1,0,0,0,0|2,0,0]=4 508 B7R0.11 CC(C)(CO)CCN MCULE-7380535368 [1,1,0,0,0,0|2,0,0]=4 509 B7R0.11 CC(C)(CO)CCO MCULE-1756560398 [1,1,0,0,0,0|1,0,0]=3 510 B7R0.11 CC(C)(CO)CNN MCULE-2193719969 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.11 CC(C)(CO)CNN MCULE-7849188244 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.11 CC(N)(CO)CCF MCULE-5569472665 [1,1,0,0,0,0|1,0,0]=3 513 B7R0.11 CC(O)(CO)CCO MCULE-4148316300 [1,1,0,0,0,0|1,0,0]=3 514 B7R0.11 CCC(C)(C)CCO MCULE-5248034600 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.11 CCC(C)(N)CCO MCULE-7673513204 [1,1,0,0,0,0|1,0,0]=3 516 B7R0.11 CCC(C)(O)CCO MCULE-6173398477 [1,1,0,0,0,0|2,0,0]=4 517 B7R0.11 CCCC(C)(N)CN MCULE-3215432035 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.11 CCCC(C)(N)CO MCULE-9180767555 [1,1,0,0,0,0|1,0,0]=3 519 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.11 CCNC(C)(C)CO MCULE-9120392867 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.11 CCNC(C)(C)CO MCULE-9465450982 [1,1,0,0,0,0|2,0,0]=4 522 B7R0.11 CCOC(C)(C)CO MCULE-6294474255 [1,1,0,0,0,0|2,0,0]=4 523 B7R0.11 CCO[C@](C)(O)CO MCULE-2547633573 [1,1,0,0,0,0|2,0,0]=4 524 B7R0.11 CNCC(C)(C)CO MCULE-1912751262 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.11 COCC(C)(C)CBr MCULE-2591763859 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.11 COCC(C)(C)CN MCULE-6321252323 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.11 COCC(C)(C)CN MCULE-8662870324 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.11 COCC(C)(C)CO MCULE-2985367717 [1,1,0,0,0,0|1,0,0]=3 529 B7R0.11 COCC(C)(N)C#N MCULE-4779930875 [1,1,0,0,0,0|1,0,1]=4 530 B7R0.11 COCC(C)(N)CN MCULE-1467574919 [1,1,0,0,0,0|1,0,0]=3 531 B7R0.11 COCC(C)(N)CO MCULE-2603485329 [1,1,0,0,0,0|0,0,0]=2 532 B7R0.11 COCC(C)(N)CO MCULE-3416999559 [1,1,0,0,0,0|0,0,0]=2 533 B7R0.11 COCC(C)(O)CN MCULE-8403551049 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.11 COCC(C)(O)CN MCULE-8479817538 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.11 COCC(F)(F)CO MCULE-7603400715 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.11 CSCC(C)(C)CO MCULE-4089291196 [1,1,0,0,0,0|1,1,0]=4 537 B7R0.11 OCCC(F)(F)CO MCULE-9524877710 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.13 CC(C)(CO)C(F)F MCULE-5444524351 [1,1,0,0,0,0|2,0,0]=4 540 B7R0.13 CC(C)C(C)(C)CO MCULE-1206498909 [1,1,0,0,0,0|2,0,0]=4 541 B7R0.13 CC(C)C(C)(N)CN MCULE-2884198159 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.13 CC(C)C(C)(O)CO MCULE-7640109698 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [1,1,0,0,0,0|0,0,1]=3 544 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [1,1,0,0,0,0|0,0,1]=3 545 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [1,1,0,0,0,0|0,1,1]=4 546 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [1,1,0,0,0,0|0,1,1]=4 547 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.13 CC(O)C(C)(C)CN MCULE-2675460571 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.13 CC(O)C(C)(C)CO MCULE-1064066796 [1,1,0,0,0,0|1,0,0]=3 550 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.13 CCC(C)(O)C(C)O MCULE-5475978311 [1,1,0,0,0,0|2,0,0]=4 554 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [1,1,0,0,0,0|1,0,1]=4 560 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [1,1,0,0,0,0|1,0,1]=4 561 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [1,1,0,0,0,0|1,0,1]=4 562 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [1,1,0,0,0,0|0,0,1]=3 563 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [1,1,0,0,0,0|0,0,1]=3 564 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [1,1,0,0,0,0|0,1,1]=4 565 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [1,1,0,0,0,0|0,1,1]=4 566 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [1,1,0,0,0,0|0,1,1]=4 567 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [1,1,0,0,0,0|0,1,1]=4 568 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [1,1,0,0,0,0|0,0,1]=3 569 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [1,1,0,0,0,0|0,0,1]=3 570 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [1,1,0,0,0,0|0,1,1]=4 571 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [1,1,0,0,0,0|0,1,1]=4 572 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [1,1,0,0,0,0|0,1,1]=4 573 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [1,1,0,0,0,0|0,1,1]=4 574 B7R0.12 C=CCC(CO)CO MCULE-4178696072 [1,1,0,0,0,0|1,0,0]=3 575 B7R0.12 CCC(CC)CCO MCULE-1684491793 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.12 CCC(CC)CON MCULE-6366873843 [1,1,0,0,0,0|2,0,0]=4 577 B7R0.12 CCC(CN)CCO MCULE-4612619767 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.12 CCCC(CO)CO MCULE-2372919180 [1,1,0,0,0,0|1,0,0]=3 579 B7R0.12 CCNC(CC)CO MCULE-2240229411 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.12 CCN[C@@H](CC)CO MCULE-3793090402 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.12 CCN[C@@H](CC)CO MCULE-7960570694 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.12 CCOC(CO)CBr MCULE-3004663873 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.12 COCC(CO)OC MCULE-6775038884 [1,1,0,0,0,0|2,0,0]=4 584 B7R0.12 COC[C@@H](CO)OC MCULE-7098934437 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.12 NCCC(CO)CO MCULE-7028267284 [1,1,0,0,0,0|1,0,0]=3 586 B7R0.12 NCCC(CO)CO MCULE-8865812482 [1,1,0,0,0,0|1,0,0]=3 587 B7R0.12 OCCC(CO)CO MCULE-7198799967 [1,1,0,0,0,0|0,0,0]=2 588 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [1,1,0,0,0,0|0,0,2]=4 589 B7R0.15 CC(C)C(CN)CO MCULE-2517509906 [1,1,0,0,0,0|2,0,0]=4 590 B7R0.15 CC(C)C(CO)CO MCULE-8569465631 [1,1,0,0,0,0|1,0,0]=3 591 B7R0.15 CC(O)C(CO)CO MCULE-9986430379 [1,1,0,0,0,0|0,0,0]=2 592 B7R0.15 CCC(CC)C(C)O MCULE-9742014522 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [1,1,0,0,0,0|1,0,1]=4 594 B7R0.15 CCC(CO)C(C)C MCULE-5089280337 [1,1,0,0,0,0|2,0,0]=4 595 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [1,1,0,0,0,0|1,0,1]=4 596 B7R0.15 CN(C)C(CO)CO MCULE-6589056011 [1,1,0,0,0,0|2,0,0]=4 597 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [1,1,0,0,0,0|1,0,1]=4 598 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [1,1,0,0,0,0|1,0,1]=4 599 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [1,1,0,0,0,0|1,0,1]=4 600 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [1,1,0,0,0,0|1,0,1]=4 601 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [1,1,0,0,0,0|1,0,1]=4 602 B7R0.15 O=N(=O)C(CO)CO MCULE-8874921455 [1,1,0,0,0,0|1,0,1]=4 603 B9R0.62 CCC(CC)(CN)CCO MCULE-7359929373 [0,2,0,0,0,0|2,0,0]=4 604 B9R0.62 CCC(CC)(CO)CNC MCULE-3892362638 [0,2,0,0,0,0|2,0,0]=4 605 B9R0.62 CCNC(CO)(CO)CO MCULE-9722970786 [0,2,0,0,0,0|0,0,0]=2 606 B9R0.78 CC(=O)C(CO)(CO)CO MCULE-4861886359 [0,2,0,0,0,0|1,0,0]=3 607 B9R0.78 CC(C)C(CO)(CO)CO MCULE-5742483747 [0,2,0,0,0,0|1,0,0]=3 608 B9R0.78 CCC(CC)(CO)N(C)C MCULE-5425480365 [0,2,0,0,0,0|2,0,0]=4 609 B9R0.78 CCC(CO)(CO)C(=O)O MCULE-9340744825 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.78 CCC(CO)(CO)N(=O)=O MCULE-4320772559 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.78 CN(C)C(CO)(CO)CO MCULE-7239584566 [0,2,0,0,0,0|0,0,0]=2 612 B9R0.78 O=C(O)C(CO)(CO)CO MCULE-5931961935 [0,2,0,0,0,0|1,0,0]=3 613 B9R0.78 O=N(=O)C(CO)(CO)CO MCULE-8637892145 [0,2,0,0,0,0|0,0,1]=3 614 B9R0.63 CC(CN)(CO)CC(=O)O MCULE-3238773867 [0,2,0,0,0,0|2,0,0]=4 615 B9R0.63 CC(CN)(CO)CC(=O)O MCULE-9021134491 [0,2,0,0,0,0|2,0,0]=4 616 B9R0.67 CC(CO)(CO)CN=N#N MCULE-6076470140 [0,2,0,0,0,0|2,0,0]=4 617 B9R0.69 COC(=O)C(C)(CO)CO MCULE-3441914987 [0,2,0,0,0,0|1,0,1]=4 618 B9R0.69 O=CC(O)C(O)(CO)CO MCULE-7860921259 [0,2,0,0,0,0|1,0,0]=3 619 B9R0.74 CCC(N)(COC)C(=O)O MCULE-1112258412 [0,2,0,0,0,0|1,0,1]=4 620 B9R0.74 CCC(N)(COC)C(=O)O MCULE-3146530110 [0,2,0,0,0,0|1,0,1]=4 621 B9R0.73 CC(C)(C)C(C)(CO)CO MCULE-9644530713 [0,2,0,0,0,0|2,0,0]=4 622 B9R0.73 NC(CO)(CO)C(F)(F)F MCULE-2965460553 [0,2,0,0,0,0|1,0,0]=3 623 B9R0.73 NC(CO)(CO)C(F)(F)F MCULE-8043221832 [0,2,0,0,0,0|1,0,0]=3 624 B9R0.73 OCC(O)(CO)C(F)(F)F MCULE-4203431297 [0,2,0,0,0,0|2,0,0]=4 625 B7R1.14 CC1(CC=CC1)N MCULE-4544025985 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.14 CC1(CC=CC1)N MCULE-5362076886 [1,0,0,1,0,0|2,0,0]=4 627 B7R1.14 CC1(CCCC1)N MCULE-1696024032 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.14 CC1(CCCC1)N MCULE-7897960444 [1,0,0,1,0,0|2,0,0]=4 629 B7R1.14 CC1(CCNC1)N MCULE-9317786482 [1,0,0,1,0,0|2,0,0]=4 630 B7R1.14 CC1(CCNC1)N MCULE-9638120938 [1,0,0,1,0,0|2,0,0]=4 631 B7R1.14 CC1(CCOC1)N MCULE-1997756007 [1,0,0,1,0,0|1,0,0]=3 632 B7R1.14 CC1(CCOC1)N MCULE-5807249895 [1,0,0,1,0,0|1,0,0]=3 633 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [1,0,0,1,0,0|2,0,0]=4 634 B7R1.14 C[C@@]1(CCNC1)N MCULE-3652011553 [1,0,0,1,0,0|2,0,0]=4 635 B7R1.14 C[C@@]1(CNOC1)O MCULE-2135476163 [1,0,0,1,0,0|2,0,0]=4 636 B7R1.14 C[C@@]1(CNOC1)O MCULE-2596956621 [1,0,0,1,0,0|2,0,0]=4 637 B7R1.14 C[C@@]1(CNOC1)O MCULE-6080745149 [1,0,0,1,0,0|2,0,0]=4 638 B7R1.14 C[C@@]1(CNOC1)O MCULE-7091595110 [1,0,0,1,0,0|2,0,0]=4 639 B7R1.14 C[C@]1(CNOC1)O MCULE-1405004782 [1,0,0,1,0,0|2,0,0]=4 640 B7R1.14 C[C@]1(CNOC1)O MCULE-4558122242 [1,0,0,1,0,0|2,0,0]=4 641 B7R1.17 CC1(CCC1O)C MCULE-7385359414 [1,0,0,1,0,0|2,0,0]=4 642 B7R1.17 CC1(CC[C@@H]1O)C MCULE-9766955692 [1,0,0,1,0,0|2,0,0]=4 643 B7R1.25 C#CC1(COC1)N MCULE-5433976736 [1,0,0,1,0,0|1,0,1]=4 644 B7R1.25 C#CC1(COC1)N MCULE-9884833232 [1,0,0,1,0,0|1,0,1]=4 645 B7R1.25 C=CC1(COC1)N MCULE-1446171155 [1,0,0,1,0,0|1,0,1]=4 646 B7R1.25 C=CC1(COC1)N MCULE-2444826926 [1,0,0,1,0,0|1,0,1]=4 647 B7R1.25 CC1(CCC1)CO MCULE-9646690839 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.25 CC1(CCN1)CO MCULE-2134260042 [1,0,0,1,0,0|1,0,0]=3 649 B7R1.25 CC1(CCN1)CO MCULE-3210259937 [1,0,0,1,0,0|1,0,0]=3 650 B7R1.25 CC1(CCO1)CO MCULE-6424264752 [1,0,0,1,0,0|2,0,0]=4 651 B7R1.25 CC1(CNC1)CO MCULE-4856424189 [1,0,0,1,0,0|2,0,0]=4 652 B7R1.25 CC1(CNC1)CO MCULE-7118798664 [1,0,0,1,0,0|2,0,0]=4 653 B7R1.25 CC1(COC1)CBr MCULE-5644951797 [1,0,0,1,0,0|2,0,0]=4 654 B7R1.25 CC1(COC1)CCl MCULE-3299014950 [1,0,0,1,0,0|2,0,0]=4 655 B7R1.25 CC1(COC1)CI MCULE-2311899293 [1,0,0,1,0,0|2,0,0]=4 656 B7R1.25 CC1(COC1)CN MCULE-1465461565 [1,0,0,1,0,0|2,0,0]=4 657 B7R1.25 CC1(COC1)CN MCULE-9032740574 [1,0,0,1,0,0|2,0,0]=4 658 B7R1.25 CC1(COC1)CN MCULE-9508101523 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.25 CC1(COC1)CO MCULE-5859568263 [1,0,0,1,0,0|1,0,0]=3 660 B7R1.25 CC1(COC1)CS MCULE-6297617076 [1,0,0,1,0,0|1,1,0]=4 661 B7R1.25 CC1(CSC1)CO MCULE-2267957602 [1,0,0,1,0,0|1,1,0]=4 662 B7R1.25 CCC1(CCC1)N MCULE-5053916607 [1,0,0,1,0,0|2,0,0]=4 663 B7R1.25 CCC1(CCC1)N MCULE-5413278315 [1,0,0,1,0,0|2,0,0]=4 664 B7R1.25 CCC1(CNC1)N MCULE-3356995774 [1,0,0,1,0,0|2,0,0]=4 665 B7R1.25 CCC1(CNC1)N MCULE-3405511665 [1,0,0,1,0,0|2,0,0]=4 666 B7R1.25 CCC1(CNC1)N MCULE-9106873585 [1,0,0,1,0,0|2,0,0]=4 667 B7R1.25 CCC1(COC1)N MCULE-1675536237 [1,0,0,1,0,0|1,0,0]=3 668 B7R1.25 CCC1(COC1)N MCULE-2070317664 [1,0,0,1,0,0|1,0,0]=3 669 B7R1.25 CCC1(COC1)O MCULE-7543171366 [1,0,0,1,0,0|2,0,0]=4 670 B7R1.25 C[C@@]1(CCO1)CO MCULE-4685471926 [1,0,0,1,0,0|2,0,0]=4 671 B7R1.25 C[C@@]1(CCO1)CO MCULE-5799098537 [1,0,0,1,0,0|2,0,0]=4 672 B7R1.25 C[C@]1(CCO1)CO MCULE-5749345841 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.25 FC1(COC1)CBr MCULE-5677480606 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.25 FC1(COC1)CI MCULE-7872792591 [1,0,0,1,0,0|2,0,0]=4 675 B7R1.25 N#CC1(COC1)N MCULE-7987341637 [1,0,0,1,0,0|1,0,1]=4 676 B7R1.25 N#CC1(COC1)N MCULE-8030800216 [1,0,0,1,0,0|1,0,1]=4 677 B7R1.25 NC1(CCC1)CF MCULE-1820863854 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.25 NC1(CCC1)CF MCULE-4073039809 [1,0,0,1,0,0|2,0,0]=4 679 B7R1.25 NC1(CCC1)CO MCULE-3303213714 [1,0,0,1,0,0|1,0,0]=3 680 B7R1.25 NC1(CCC1)CO MCULE-7230626576 [1,0,0,1,0,0|1,0,0]=3 681 B7R1.25 NC1(COC1)CF MCULE-5210114564 [1,0,0,1,0,0|1,0,0]=3 682 B7R1.25 NC1(COC1)CF MCULE-9301949135 [1,0,0,1,0,0|1,0,0]=3 683 B7R1.25 NC1(COC1)CO MCULE-5347414182 [1,0,0,1,0,0|0,0,0]=2 684 B7R1.25 NCC1(CCC1)N MCULE-4976713787 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.25 NCC1(CCC1)N MCULE-8019875303 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.25 NCC1(COC1)F MCULE-4525292125 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.25 NCC1(COC1)N MCULE-1079562077 [1,0,0,1,0,0|1,0,0]=3 688 B7R1.25 NCC1(COC1)N MCULE-6820840703 [1,0,0,1,0,0|1,0,0]=3 689 B7R1.25 NCC1(COC1)N MCULE-6888014911 [1,0,0,1,0,0|1,0,0]=3 690 B7R1.25 NCC1(COC1)O MCULE-6677052127 [1,0,0,1,0,0|2,0,0]=4 691 B7R1.25 OC1(COC1)CF MCULE-1428128025 [1,0,0,1,0,0|2,0,0]=4 692 B7R1.25 OCC1(CCC1)F MCULE-5944864184 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.25 OCC1(CCC1)O MCULE-2830358505 [1,0,0,1,0,0|2,0,0]=4 694 B7R1.25 OCC1(CNC1)F MCULE-7526502512 [1,0,0,1,0,0|2,0,0]=4 695 B7R1.25 OCC1(CNC1)F MCULE-7804174908 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.25 OCC1(CNC1)O MCULE-1089145184 [1,0,0,1,0,0|2,0,0]=4 697 B7R1.25 OCC1(CNC1)O MCULE-8217738451 [1,0,0,1,0,0|2,0,0]=4 698 B7R1.25 OCC1(CNC1)O MCULE-9215525935 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.25 OCC1(CNC1)O MCULE-9389454165 [1,0,0,1,0,0|2,0,0]=4 700 B7R1.25 OCC1(COC1)F MCULE-9098723776 [1,0,0,1,0,0|1,0,0]=3 701 B7R1.25 OCC1(COC1)O MCULE-4207928663 [1,0,0,1,0,0|1,0,0]=3 702 B7R1.27 CC1(CC1Br)CO MCULE-5286402958 [1,0,0,1,0,0|2,0,0]=4 703 B7R1.27 CC1(CC1F)CO MCULE-9626513813 [1,0,0,1,0,0|2,0,0]=4 704 B7R1.29 CCC1(CC1)CO MCULE-9504231451 [1,0,0,1,0,0|2,0,0]=4 705 B7R1.29 NCC1(CC1)CO MCULE-1328630482 [1,0,0,1,0,0|2,0,0]=4 706 B7R1.29 NCC1(CC1)CO MCULE-3970508474 [1,0,0,1,0,0|2,0,0]=4 707 B7R1.29 OCC1(CC1)CF MCULE-1670499766 [1,0,0,1,0,0|2,0,0]=4 708 B7R1.29 OCC1(CC1)CO MCULE-9312932144 [1,0,0,1,0,0|1,0,0]=3 709 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [1,0,0,1,0,0|2,0,0]=4 710 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [1,0,0,1,0,0|2,0,0]=4 711 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [1,0,0,1,0,0|2,0,0]=4 712 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [1,0,0,1,0,0|2,0,0]=4 713 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [1,0,0,1,0,0|2,0,0]=4 714 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [1,0,0,1,0,0|2,0,0]=4 715 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [1,0,0,1,0,0|1,0,0]=3 716 B7R1.1 ClCC1CCOC1 MCULE-1203835826 [1,0,0,1,0,0|2,0,0]=4 717 B7R1.1 ICC1CCOC1 MCULE-2014671156 [1,0,0,1,0,0|2,0,0]=4 718 B7R1.1 IC[C@H]1CCOC1 MCULE-5163407500 [1,0,0,1,0,0|2,0,0]=4 719 B7R1.1 NCC1CCOC1 MCULE-4208746127 [1,0,0,1,0,0|2,0,0]=4 720 B7R1.1 NCC1CCOC1 MCULE-6540410947 [1,0,0,1,0,0|2,0,0]=4 721 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [1,0,0,1,0,0|2,0,0]=4 722 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [1,0,0,1,0,0|2,0,0]=4 723 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [1,0,0,1,0,0|2,0,0]=4 724 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [1,0,0,1,0,0|2,0,0]=4 725 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [1,0,0,1,0,0|2,0,0]=4 726 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [1,0,0,1,0,0|2,0,0]=4 727 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [1,0,0,1,0,0|2,0,0]=4 728 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [1,0,0,1,0,0|2,0,0]=4 729 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [1,0,0,1,0,0|2,0,0]=4 730 B7R1.1 OCC1CCCC1 MCULE-2985338933 [1,0,0,1,0,0|2,0,0]=4 731 B7R1.1 OCC1CCNC1 MCULE-7883947611 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.1 OCC1CCNC1 MCULE-9689521155 [1,0,0,1,0,0|2,0,0]=4 733 B7R1.1 OCC1CCOC1 MCULE-8926405046 [1,0,0,1,0,0|1,0,0]=3 734 B7R1.1 OCC1CCON1 MCULE-1199975481 [1,0,0,1,0,0|2,0,0]=4 735 B7R1.1 OCC1CCON1 MCULE-4772487016 [1,0,0,1,0,0|2,0,0]=4 736 B7R1.1 OCC1CCSC1 MCULE-2226132734 [1,0,0,1,0,0|1,1,0]=4 737 B7R1.1 OCC1COCO1 MCULE-3470022742 [1,0,0,1,0,0|2,0,0]=4 738 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [1,0,0,1,0,0|2,0,0]=4 739 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [1,0,0,1,0,0|2,0,0]=4 741 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [1,0,0,1,0,0|2,0,0]=4 742 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [1,0,0,1,0,0|1,0,0]=3 743 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [1,0,0,1,0,0|1,0,0]=3 744 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [1,0,0,1,0,0|2,0,0]=4 745 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [1,0,0,1,0,0|2,0,0]=4 746 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [1,0,0,1,0,0|2,0,0]=4 747 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [1,0,0,1,0,0|2,0,0]=4 748 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [1,0,0,1,0,0|1,0,0]=3 749 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [1,0,0,1,0,0|1,0,0]=3 750 B7R1.1 SCC1CCOC1 MCULE-4504314486 [1,0,0,1,0,0|1,1,0]=4 751 B7R1.8 CC1CCC1CO MCULE-4677269341 [1,0,0,1,0,0|2,0,0]=4 752 B7R1.8 OCC1CCC1F MCULE-2481035584 [1,0,0,1,0,0|2,0,0]=4 753 B7R1.8 OCC1CCC1O MCULE-9764745395 [1,0,0,1,0,0|1,0,0]=3 754 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [1,0,0,1,0,0|1,0,0]=3 755 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [1,0,0,1,0,0|1,0,0]=3 756 B9R1.120 CC1CCC1(CO)CO MCULE-7776828217 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.204 CCC1(CCCN1)CO MCULE-2291730213 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.204 CCC1(CCNC1)CO MCULE-6824082536 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.204 CNC1(CCCC1)CO MCULE-1687582141 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.204 CNC1(CCOC1)CN MCULE-9658855338 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.204 CNC1(CCOC1)CO MCULE-1597439940 [0,1,0,1,0,0|1,0,0]=3 762 B9R1.204 CNC1(CCSC1)CO MCULE-8777175880 [0,1,0,1,0,0|1,1,0]=4 763 B9R1.204 COC1(CCOC1)CO MCULE-5882769438 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.204 N#CC1(CCOC1)CO MCULE-5011960218 [0,1,0,1,0,0|1,0,1]=4 765 B9R1.204 NCC1(CCCC1)CO MCULE-5764013495 [0,1,0,1,0,0|2,0,0]=4 766 B9R1.204 NCC1(CCCC1)CO MCULE-8669848799 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.204 NCC1(CCOC1)CO MCULE-2011513032 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.204 OCC1(CC=CC1)CO MCULE-7429277981 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.204 OCC1(CCCC1)CO MCULE-6896331863 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.204 OCC1(CCCN1)CO MCULE-8513711939 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.204 OCC1(CCCO1)CO MCULE-2056655928 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.204 OCC1(CCNC1)CO MCULE-5448294830 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.94 C=CC1CC1(CO)CO MCULE-8545390173 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.118 CC1(CCCOC1)CO MCULE-5818698089 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.118 CC1(CCOCC1)CO MCULE-5535447172 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.118 CC1(COCCN1)CO MCULE-1204894568 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.118 CC1(COCCO1)CO MCULE-2402682578 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.118 CC1(COCOC1)CO MCULE-8507884308 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.118 CCC1(CCOCC1)N MCULE-3790819064 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.118 CCC1(CCOCC1)N MCULE-5690381602 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.118 NC1(CCCCC1)CO MCULE-5010483791 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.118 NC1(CCCCC1)CO MCULE-9568898546 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.118 NC1(CCNCC1)CO MCULE-4957450788 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.118 NC1(CCNCC1)CO MCULE-8808091761 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.118 NC1(CCOCC1)CF MCULE-6182015014 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.118 NC1(CCOCC1)CF MCULE-7419811491 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.118 NC1(CCOCC1)CO MCULE-5523370445 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.118 NC1(CCOCC1)CO MCULE-7081316740 [0,1,0,1,0,0|1,0,0]=3 789 B9R1.118 NC1(CCSCC1)CO MCULE-3751635501 [0,1,0,1,0,0|1,1,0]=4 790 B9R1.118 NC1(CCSCC1)CO MCULE-5887780207 [0,1,0,1,0,0|1,1,0]=4 791 B9R1.118 NCC1(CCOCC1)N MCULE-8014068638 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.118 OCC1(CCCOC1)F MCULE-7902519614 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.118 OCC1(CCOCC1)F MCULE-6397920040 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.118 OCC1(CCOCC1)O MCULE-9700422902 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.124 NC1CC(C1)(CO)CO MCULE-4363026481 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.124 NC1CC(C1)(CO)CO MCULE-6426369672 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.124 O=C1CC(C1)(CO)CO MCULE-4534541678 [0,1,0,1,0,0|1,0,1]=4 798 B9R1.124 OCC1(CC(C1)F)CO MCULE-5056746535 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.124 OCC1(CC(C1)O)CO MCULE-9253482710 [0,1,0,1,0,0|1,0,0]=3 800 B9R1.125 CC1(COC(=O)C1)CO MCULE-2278000717 [0,1,0,1,0,0|1,0,1]=4 801 B9R1.134 CCCC1(CCOC1)N MCULE-3322422096 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.134 COCC1(CC=CC1)N MCULE-6437289994 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.134 COCC1(CCCC1)N MCULE-4902857537 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.134 COCC1(CCCC1)N MCULE-7196976973 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.134 COCC1(CCOC1)N MCULE-4642000021 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.134 COCC1(CCOC1)N MCULE-5928206934 [0,1,0,1,0,0|1,0,0]=3 807 B9R1.134 NC1(CCCC1)CCO MCULE-4642086605 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.134 NC1(CCOC1)CCO MCULE-4522691616 [0,1,0,1,0,0|1,0,0]=3 809 B9R1.175 C=CCC1(COC1)CO MCULE-2922605150 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.175 CNCC1(COC1)CO MCULE-7203136138 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.175 COCC1(CCC1)CO MCULE-5051381024 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.175 COCC1(COC1)CO MCULE-6136093323 [0,1,0,1,0,0|1,0,0]=3 813 B9R1.175 N#CCC1(COC1)CO MCULE-8393275630 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.175 NCC1(COC1)CCO MCULE-4867318384 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.119 CC(C)C1(COC1)CO MCULE-3643690887 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.119 O=C(O)C1(COC1)CO MCULE-8517233263 [0,1,0,1,0,0|1,0,1]=4 817 B9R1.119 OCC1(COC1)C(F)F MCULE-3948614973 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,1,0,1,0,0|1,0,1]=4 819 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,1,0,1,0,0|1,0,1]=4 820 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,1,0,1,0,0|1,0,1]=4 821 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,1,0,1,0,0|1,0,1]=4 822 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,1,0,1,0,0|1,0,1]=4 823 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,1,0,1,0,0|1,0,1]=4 824 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,1,0,1,0,0|1,0,1]=4 825 B9R1.205 CC1(CC1(CO)CO)C MCULE-3929792710 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.205 OCC1(CC1(F)F)CO MCULE-2530789348 [0,1,0,1,0,0|2,0,0]=4 827 B9R2.56 OCC12COCC1C2 MCULE-7115607299 [0,0,0,2,0,0|2,0,0]=4 828 B9R2.56 [C@@H]12COC[C@@]1(C2)CO MCULE-3925746673 [0,0,0,2,0,0|2,0,0]=4 829 B9R2.56 [C@@H]12COC[C@@]1(C2)CO MCULE-6112691555 [0,0,0,2,0,0|2,0,0]=4 830 B9R2.56 [C@H]12COC[C@]1(C2)CO MCULE-8930198647 [0,0,0,2,0,0|2,0,0]=4 831 B9R2.56 [C@H]12COC[C@]1(C2)CO MCULE-9519595251 [0,0,0,2,0,0|2,0,0]=4 832 B9R2.61 OCC12COC(C1)C2 MCULE-1603753975 [0,0,0,2,0,0|2,0,0]=4 833 B9R2.173 C1CC2(N1)CCOC2 MCULE-1939969466 [0,0,0,2,0,0|2,0,0]=4 834 B9R2.173 C1CC2(N1)CCOC2 MCULE-2189296438 [0,0,0,2,0,0|2,0,0]=4 835 B9R2.173 C1CC2(N1)CCOC2 MCULE-7493275906 [0,0,0,2,0,0|2,0,0]=4 836 B9R2.173 C1CC2(N1)CCOC2 MCULE-7935442953 [0,0,0,2,0,0|2,0,0]=4 837 B9R2.140 OC1CCC12COC2 MCULE-5757589077 [0,0,0,2,0,0|2,0,0]=4 838 B9R2.140 O[C@H]1CCC12COC2 MCULE-6567729778 [0,0,0,2,0,0|2,0,0]=4