0 B7R0.1 C/C=C/C#CCCO MCULE-9836763444 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 C=CCC=CCCC MCULE-5753699682 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 CC/C=C/CCCC MCULE-7439146649 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 CC/C=C\CCC=O MCULE-5862165111 [0,0,0,0,0,0|0,0,4]=4 4 B7R0.1 CC/C=C\CCCO MCULE-7890119012 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.1 CC=CC#CCCO MCULE-2091422253 [0,0,0,0,0,0|0,0,4]=4 6 B7R0.1 CC=CCCCCO MCULE-8707373340 [0,0,0,0,0,0|0,0,4]=4 7 B7R0.1 CCC/C=C/CCC MCULE-4580411068 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 CCC/C=C\CCC MCULE-3832748741 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.1 CCC=CC=CC=O MCULE-2064802795 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.1 CCC=CC=CCO MCULE-7908131221 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.1 CCC=CCCC=O MCULE-1386777548 [0,0,0,0,0,0|0,0,4]=4 12 B7R0.1 CCC=CCCCC MCULE-9716720293 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.1 CCC=CCCCO MCULE-9620732691 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.1 CCCC#CCCO MCULE-7581204382 [0,0,0,0,0,0|0,0,4]=4 15 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [0,0,0,0,0,0|0,0,4]=4 16 B7R0.1 CCCC/C=C/CO MCULE-5404793542 [0,0,0,0,0,0|0,0,2]=2 17 B7R0.1 CCCC=CCCC MCULE-6897310592 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.1 CCCC=CCCCl MCULE-5580394901 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.1 CCCCC#CCO MCULE-9057096480 [0,0,0,0,0,0|0,0,4]=4 20 B7R0.1 CCCCC=CC=O MCULE-6776317009 [0,0,0,0,0,0|0,0,4]=4 21 B7R0.1 CCCCC=CCBr MCULE-2427659057 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.1 CCCCC=CCO MCULE-7891403223 [0,0,0,0,0,0|0,0,2]=2 23 B7R0.1 CCCCCCCO MCULE-5882959353 [0,0,0,0,0,0|0,0,4]=4 24 B7R0.1 CCCCNCCO MCULE-3582031814 [0,0,0,0,0,0|1,0,3]=4 25 B7R0.1 CCCCOCCO MCULE-1727546427 [0,0,0,0,0,0|1,0,3]=4 26 B7R0.1 CCCCOCCO MCULE-4417721312 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.1 CCCCSCCO MCULE-8791357083 [0,0,0,0,0,0|1,0,3]=4 28 B7R0.1 CCCNCCCO MCULE-4366982860 [0,0,0,0,0,0|1,0,3]=4 29 B7R0.1 CCNCCCCO MCULE-4851249509 [0,0,0,0,0,0|1,0,3]=4 30 B7R0.1 CCOCCCCO MCULE-9986213119 [0,0,0,0,0,0|1,0,3]=4 31 B7R0.1 CCSCCCCO MCULE-1712194349 [0,0,0,0,0,0|1,0,3]=4 32 B7R0.1 N#CC=CC=CC#N MCULE-1787367018 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.1 OCCC=CCCO MCULE-7933051592 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [1,0,0,0,0,0|0,0,1]=2 35 B6R0.6 C/C=C/C=C/C#N MCULE-3461215979 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.6 C/C=C/C=C/C=O MCULE-9837225903 [1,0,0,0,0,0|0,0,2]=3 37 B6R0.6 C/C=C/C=C/CO MCULE-3717958585 [1,0,0,0,0,0|0,0,0]=1 38 B6R0.6 C/C=C/CCCC MCULE-6900331316 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.6 C/C=C\CCCC MCULE-8426867799 [1,0,0,0,0,0|0,0,2]=3 41 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,0,0,0,0,0|0,0,2]=3 42 B6R0.6 C=CC=CCCBr MCULE-8528821525 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 C=CC=CCCN MCULE-8129949310 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 C=CC=CCCO MCULE-5956097722 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.6 CC/C=C/CCC MCULE-5222700461 [1,0,0,0,0,0|0,0,2]=3 46 B6R0.6 CC/C=C/CCO MCULE-9853729917 [1,0,0,0,0,0|0,0,1]=2 47 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,0,0,0,0,0|0,0,2]=3 48 B6R0.6 CC/C=C\CCO MCULE-9206958060 [1,0,0,0,0,0|0,0,1]=2 49 B6R0.6 CC=CC=CC#N MCULE-2944741082 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.6 CC=CC=CC=O MCULE-7370101773 [1,0,0,0,0,0|0,0,2]=3 51 B6R0.6 CC=CC=CCN MCULE-9780064235 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.6 CC=CC=CCO MCULE-1802738822 [1,0,0,0,0,0|0,0,0]=1 53 B6R0.6 CC=CCCCBr MCULE-1109208969 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.6 CC=CCCCC MCULE-7277981733 [1,0,0,0,0,0|0,0,2]=3 55 B6R0.6 CC=CCCCCl MCULE-7487798637 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.6 CC=CCCCO MCULE-1401303632 [1,0,0,0,0,0|0,0,2]=3 57 B6R0.6 CC=CSCCC MCULE-3534082442 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.6 CCC#CCCO MCULE-1699744538 [1,0,0,0,0,0|0,0,3]=4 59 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,0,0,0,0,0|0,0,2]=3 60 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.6 CCC=CCCBr MCULE-7873583643 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.6 CCC=CCCC MCULE-3739501724 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.6 CCC=CCCI MCULE-9416216252 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.6 CCC=CCCO MCULE-1781375433 [1,0,0,0,0,0|0,0,1]=2 65 B6R0.6 CCC=COCC MCULE-1991976030 [1,0,0,0,0,0|1,0,1]=3 66 B6R0.6 CCCC#CCO MCULE-8352024607 [1,0,0,0,0,0|0,0,3]=4 67 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,0,0,0,0,0|0,0,2]=3 68 B6R0.6 CCCC=CCBr MCULE-2474104566 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.6 CCCC=CCO MCULE-3204738641 [1,0,0,0,0,0|0,0,1]=2 70 B6R0.6 CCCCCCO MCULE-4299150163 [1,0,0,0,0,0|0,0,3]=4 71 B6R0.6 CCCNCCO MCULE-4813687741 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.6 CCCOCCO MCULE-3263526264 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.6 CCCSCCO MCULE-8371796663 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.6 CCNCCCO MCULE-3251610052 [1,0,0,0,0,0|1,0,2]=4 75 B6R0.6 CCO/C=C/C#N MCULE-4278586794 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.6 CCOC=CC#N MCULE-5002780993 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.6 CCOCCCO MCULE-3077567484 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.6 CCSCCCO MCULE-6719011943 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.6 N#CCC=CCO MCULE-6995751332 [1,0,0,0,0,0|1,0,2]=4 80 B6R0.6 NCC=CCCN MCULE-5058870063 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 NCC=CCCN MCULE-6332692206 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.6 O=CC=CC=C[O-] MCULE-1735082795 [1,0,0,0,0,0|1,0,2]=4 83 B6R0.6 O=CC=CC=C[O-] MCULE-1943976542 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.1 C=CC=CC(=O)OCC MCULE-4508819548 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.1 CC/C=C/C(=O)OCC MCULE-6281513551 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.1 CCC=CC(=O)OCC MCULE-2840510617 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.1 CCCC(=O)OCCO MCULE-5942976945 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.1 CCCOC(=O)CCO MCULE-7390309329 [0,1,0,0,0,0|1,0,2]=4 89 B8R0.1 CCNC(=O)NCCO MCULE-1039035778 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.1 CCOC(=O)/C=C/C=O MCULE-9219622537 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.1 CCOC(=O)/C=C/CBr MCULE-5352661836 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.1 CCOC(=O)/C=C/CO MCULE-7879343808 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.1 CCOC(=O)/C=C\C#N MCULE-4457021806 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.1 CCOC(=O)C#CCO MCULE-5094094961 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.1 CCOC(=O)C=CC#N MCULE-2321976691 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.1 CCOC(=O)C=CC=O MCULE-7165096046 [0,1,0,0,0,0|1,0,2]=4 97 B8R0.1 CCOC(=O)C=CCBr MCULE-6455444227 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.1 CCOC(=O)C=CCCl MCULE-7995326623 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.1 CCOC(=O)C=CCN MCULE-4129018658 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.1 CCOC(=O)C=CCN MCULE-5635501690 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.1 CCOC(=O)C=CCN MCULE-9641729290 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.1 CCOC(=O)C=CCO MCULE-7710620250 [0,1,0,0,0,0|1,0,0]=2 103 B8R0.1 CCOC(=O)CCCO MCULE-6165580365 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.1 CCOC(=O)NCCO MCULE-7625780069 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.4 C=CCCC/C=C/CO MCULE-8670012458 [0,1,0,0,0,0|0,0,3]=4 106 B8R0.4 C=CCCCC=CCO MCULE-8508232522 [0,1,0,0,0,0|0,0,3]=4 107 B8R0.4 CC=CC=CC=CC=O MCULE-4270643488 [0,1,0,0,0,0|0,0,3]=4 108 B8R0.4 CCC/C=C/C=C/C=O MCULE-8835013975 [0,1,0,0,0,0|0,0,2]=3 109 B8R0.4 CCC/C=C/C=C/CO MCULE-9104000035 [0,1,0,0,0,0|0,0,0]=1 110 B8R0.4 CCC/C=C\CCCC MCULE-1534641855 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.4 CCC=CCCCCO MCULE-2496486842 [0,1,0,0,0,0|0,0,2]=3 112 B8R0.4 CCCC/C=C\CCO MCULE-5021089657 [0,1,0,0,0,0|0,0,2]=3 113 B8R0.4 CCCC=CC=CC=O MCULE-2921829928 [0,1,0,0,0,0|0,0,2]=3 114 B8R0.4 CCCC=CC=CCO MCULE-7221329169 [0,1,0,0,0,0|0,0,0]=1 115 B8R0.4 CCCC=CCCCC MCULE-6609949802 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.4 CCCCC/C=C/CO MCULE-2538979274 [0,1,0,0,0,0|0,0,2]=3 117 B8R0.4 CCCCC=CCCO MCULE-5187523035 [0,1,0,0,0,0|0,0,2]=3 118 B8R0.4 CCCCCC=CCO MCULE-7026544339 [0,1,0,0,0,0|0,0,2]=3 119 B8R0.6 C/C=C/C=C/C(=O)NO MCULE-9503665605 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.6 C/C=C/C=C/C(=O)OC MCULE-2985403088 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.6 CC=CC=CC(=O)NO MCULE-8685680181 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.6 CC=CC=CC(=O)OC MCULE-4040454111 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.6 CCC/C=C/C(=O)OC MCULE-6273561448 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.6 CCC=CCC(=O)OC MCULE-6432541061 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.6 CCCC=CC(=O)OC MCULE-1227063444 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.7 CCC=CC=CC(=O)O MCULE-2259149573 [0,1,0,0,0,0|0,0,1]=2 128 B8R0.7 CCCC/C=C/B(O)O MCULE-9877577042 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [0,1,0,0,0,0|0,0,3]=4 130 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [0,1,0,0,0,0|0,0,3]=4 131 B8R0.7 CCCCC=CB(O)O MCULE-3896372455 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [0,1,0,0,0,0|0,0,3]=4 133 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [0,1,0,0,0,0|1,0,2]=4 134 B8R1.2 BrCC1=CC=CC=C1 MCULE-8131302203 [0,0,0,1,0,0|1,0,2]=4 135 B8R1.2 BrCC1=CC=CN=C1 MCULE-1038247462 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.2 BrCC1=CC=CN=C1 MCULE-6879653819 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.2 BrCC1=CCCCC1 MCULE-4196033923 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.2 BrCC1=NC=CC=C1 MCULE-3599311267 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.2 BrCC1=NC=CC=C1 MCULE-6153573889 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.2 BrCC1=NN=CC=C1 MCULE-7103856272 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.2 BrCC1=NN=CC=C1 MCULE-9122598801 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.2 BrCC1C=CCCC1 MCULE-3497010416 [0,0,0,1,0,0|1,0,2]=4 143 B8R1.2 CCC1=CC=CC=C1 MCULE-6974188032 [0,0,0,1,0,0|1,0,1]=3 144 B8R1.2 CCC1=CC=CC=N1 MCULE-1978895534 [0,0,0,1,0,0|1,0,1]=3 145 B8R1.2 CCC1=CC=NC=C1 MCULE-4630537627 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.2 CCC1=CCCC=C1 MCULE-7185315314 [0,0,0,1,0,0|1,0,1]=3 147 B8R1.2 CCC1=CN=CC=C1 MCULE-4389336407 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.2 CCC1=NC=CC=N1 MCULE-9662260411 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.2 CCC1=NC=CN=C1 MCULE-5253581629 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.2 CCC1=NC=NC=C1 MCULE-2187196137 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.2 CCN1C=CC=CC1 MCULE-9364000935 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.2 CC[N+]1=CC=CC=C1 MCULE-1015635916 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.2 CC[N+]1=CC=CC=C1 MCULE-5689056360 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.2 CC[N+]1=CC=CC=C1 MCULE-5747372781 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.2 CC[N+]1=CC=CC=C1 MCULE-6026187399 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.2 CNC1=CC=CC=C1 MCULE-4290721989 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.2 CNC1=CC=CC=C1 MCULE-6046773954 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.2 CNC1=CN=CC=C1 MCULE-1141875372 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.2 CNC1=NC=CC=C1 MCULE-5967125973 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.2 CNC1=NN=CC=C1 MCULE-6868687132 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.2 COC1=CC=CC=C1 MCULE-2691526560 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.2 COC1=CC=CN=N1 MCULE-7537353239 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.2 COC1=CCC=CC1 MCULE-7415926731 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.2 COC1=CN=CC=C1 MCULE-3090736822 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.2 COC1=NC=CC=C1 MCULE-1291561536 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.2 CSC1=CC=CC=C1 MCULE-1625959840 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.2 CSC1=CN=CC=C1 MCULE-4311308434 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.2 CSC1=NC=CC=C1 MCULE-8401723060 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.2 ClCC1=CC=CC=C1 MCULE-5056501597 [0,0,0,1,0,0|1,0,2]=4 170 B8R1.2 ClCC1=CC=CN=N1 MCULE-9662892234 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.2 ClCC1=CN=CC=C1 MCULE-1384786554 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.2 ClCC1=CN=CC=C1 MCULE-2835543499 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.2 ClCC1=NC=CC=C1 MCULE-5870861542 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.2 ClCC1=NC=CC=C1 MCULE-7200632156 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.2 ClCC1=NN=CC=C1 MCULE-6198777598 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.2 ICC1=CC=CC=C1 MCULE-4634834662 [0,0,0,1,0,0|1,0,2]=4 177 B8R1.2 ICC1=CN=CC=C1 MCULE-3271229784 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.2 ICC1=CN=CC=C1 MCULE-8738154612 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.2 NCC1=CC=CC=C1 MCULE-3135302137 [0,0,0,1,0,0|1,0,2]=4 180 B8R1.2 NCC1=CC=CC=C1 MCULE-5164860795 [0,0,0,1,0,0|1,0,2]=4 181 B8R1.2 NCC1=CC=CC=C1 MCULE-6894874255 [0,0,0,1,0,0|1,0,2]=4 182 B8R1.2 NCC1=CC=CC=C1 MCULE-9874077275 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.2 NCC1=CC=CN=C1 MCULE-1831735569 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.2 NCC1=CCCCC1 MCULE-3951635533 [0,0,0,1,0,0|1,0,2]=4 185 B8R1.2 NCC1=CCCCC1 MCULE-4923330324 [0,0,0,1,0,0|1,0,2]=4 186 B8R1.2 NCC1=CCOCC1 MCULE-5018009136 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.2 NCC1=CCOCC1 MCULE-6920828049 [0,0,0,1,0,0|2,0,1]=4 188 B8R1.2 NCC1=CN=CC=C1 MCULE-8528062377 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.2 NCC1=NC=CC=C1 MCULE-2222242627 [0,0,0,1,0,0|2,0,1]=4 190 B8R1.2 NCC1=NC=CC=C1 MCULE-4278422073 [0,0,0,1,0,0|2,0,1]=4 191 B8R1.2 NCC1=NN=CC=C1 MCULE-3179040261 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.2 NCC1=NN=CC=C1 MCULE-5718256219 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.2 NCC1=NN=CC=C1 MCULE-6124478734 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.2 NCC1CC=CCC1 MCULE-9374023591 [0,0,0,1,0,0|1,0,2]=4 195 B8R1.2 NCC1CCC=CO1 MCULE-9848121283 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.2 OCC1=CC=CC=C1 MCULE-6011707909 [0,0,0,1,0,0|0,0,2]=3 197 B8R1.2 OCC1=CC=CN=C1 MCULE-4350730997 [0,0,0,1,0,0|1,0,1]=3 198 B8R1.2 OCC1=CC=NC=C1 MCULE-2006782998 [0,0,0,1,0,0|1,0,2]=4 199 B8R1.2 OCC1=CC=NC=C1 MCULE-8260320611 [0,0,0,1,0,0|1,0,2]=4 200 B8R1.2 OCC1=CC=NC=C1 MCULE-8745577217 [0,0,0,1,0,0|1,0,2]=4 201 B8R1.2 OCC1=CCCCC1 MCULE-2422738199 [0,0,0,1,0,0|0,0,2]=3 202 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [0,0,0,1,0,0|1,0,2]=4 203 B8R1.2 OCC1=CCCOC1 MCULE-5407184933 [0,0,0,1,0,0|1,0,2]=4 204 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [0,0,0,1,0,0|1,0,1]=3 205 B8R1.2 OCC1=CN=CN=C1 MCULE-9994325653 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.2 OCC1=CN=NC=C1 MCULE-6819828194 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.2 OCC1=NC=CC=C1 MCULE-7483458489 [0,0,0,1,0,0|1,0,1]=3 208 B8R1.2 OCC1=NC=CC=C1 MCULE-8322662999 [0,0,0,1,0,0|1,0,1]=3 209 B8R1.2 OCC1=NC=CC=N1 MCULE-2571840857 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.2 OCC1=NC=CC=N1 MCULE-9206721463 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.2 OCC1=NC=CN=C1 MCULE-1281180900 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.2 OCC1=NC=CN=C1 MCULE-1808729856 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.2 OCC1=NC=NC=C1 MCULE-9547917578 [0,0,0,1,0,0|2,0,1]=4 214 B8R1.2 OCC1=NN=CC=C1 MCULE-1017666684 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.2 OCC1=NOCCC1 MCULE-7754725295 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.2 OCC1C=CCCC1 MCULE-3264381346 [0,0,0,1,0,0|0,0,2]=3 217 B8R1.2 OCC1C=CCCN1 MCULE-1476642397 [0,0,0,1,0,0|1,0,2]=4 218 B8R1.2 OCC1CC=CCC1 MCULE-7843809650 [0,0,0,1,0,0|0,0,2]=3 219 B8R1.2 OCC1CC=CCO1 MCULE-1009946564 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.2 OCC1CCC=CO1 MCULE-7646685626 [0,0,0,1,0,0|1,0,1]=3 221 B8R1.2 OC[C@H]1CCC=CO1 MCULE-3753346509 [0,0,0,1,0,0|1,0,1]=3 222 B8R1.2 ONC1=CC=CC=C1 MCULE-3427020890 [0,0,0,1,0,0|1,0,2]=4 223 B8R1.2 ONC1=CC=CC=C1 MCULE-7135499568 [0,0,0,1,0,0|1,0,2]=4 224 B8R1.2 SCC1=CC=CC=C1 MCULE-9652039678 [0,0,0,1,0,0|0,1,2]=4 225 B8R1.2 SCC1=CC=CN=C1 MCULE-5263560731 [0,0,0,1,0,0|1,1,1]=4 226 B8R1.2 SCC1=NC=CC=C1 MCULE-7174005309 [0,0,0,1,0,0|1,1,1]=4 227 B8R1.5 CC1=C(C=CC=C1)Br MCULE-5867809054 [0,0,0,1,0,0|1,0,2]=4 228 B8R1.5 CC1=C(C=CC=C1)Cl MCULE-2832835864 [0,0,0,1,0,0|1,0,2]=4 229 B8R1.5 CC1=C(C=CC=C1)F MCULE-4058961323 [0,0,0,1,0,0|1,0,2]=4 230 B8R1.5 CC1=C(C=CC=C1)I MCULE-5226243046 [0,0,0,1,0,0|1,0,2]=4 231 B8R1.5 CC1=C(C=CC=C1)N MCULE-1459156774 [0,0,0,1,0,0|1,0,2]=4 232 B8R1.5 CC1=C(C=CC=C1)N MCULE-2695214373 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.5 CC1=C(C=CC=C1)O MCULE-4124485112 [0,0,0,1,0,0|0,0,2]=3 234 B8R1.5 CC1=C(C=CC=C1)S MCULE-6476564431 [0,0,0,1,0,0|0,1,2]=4 235 B8R1.5 CC1=C(C=CN=C1)O MCULE-9196997081 [0,0,0,1,0,0|1,0,2]=4 236 B8R1.5 CC1=C(C=NC=C1)O MCULE-4421180042 [0,0,0,1,0,0|1,0,2]=4 237 B8R1.5 CC1=CC=CC=C1C MCULE-2208963094 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.5 CC1=CC=CC=C1N MCULE-4254037883 [0,0,0,1,0,0|1,0,2]=4 239 B8R1.5 CC1=CC=CC=C1[O-] MCULE-3283477199 [0,0,0,1,0,0|0,0,3]=4 240 B8R1.5 CC1=CC=CC=[N+]1N MCULE-6646295200 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.5 CC1=CC=CC=[N+]1[O-] MCULE-7308554116 [0,0,0,1,0,0|1,0,2]=4 242 B8R1.5 CC1=NC=CC=C1O MCULE-5234565173 [0,0,0,1,0,0|1,0,2]=4 243 B8R1.5 CC1=NC=CC=C1O MCULE-8707169056 [0,0,0,1,0,0|1,0,2]=4 244 B8R1.5 CC1=[N+](C=CC=C1)C MCULE-6493063500 [0,0,0,1,0,0|2,0,1]=4 245 B8R1.5 CC1=[N+](C=CC=C1)C MCULE-9776595816 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.5 CC1=[N+](C=CC=C1)N MCULE-9822966573 [0,0,0,1,0,0|2,0,1]=4 247 B8R1.5 CC1CC=CCC1C MCULE-9305523958 [0,0,0,1,0,0|1,0,2]=4 248 B8R1.5 CN1C=CC=CC1=N MCULE-3355276214 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.5 CN1C=CC=CC1=O MCULE-8858407794 [0,0,0,1,0,0|1,0,2]=4 250 B8R1.5 CN1C=CC=CC1=S MCULE-6944540671 [0,0,0,1,0,0|1,1,1]=4 251 B8R1.5 C[N+]1=C(C=CC=C1)Br MCULE-8354837296 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.5 C[N+]1=C(C=CC=C1)Br MCULE-8682911607 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.5 C[N+]1=C(C=CC=C1)F MCULE-8489235973 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.5 C[N+]1=C(C=CC=C1)I MCULE-1957306232 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.5 C[N+]1=C(C=CC=C1)I MCULE-5977535106 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.5 C[N+]1=CC=CC=C1Cl MCULE-7258428623 [0,0,0,1,0,0|2,0,1]=4 257 B8R1.5 C[N+]1=CC=CC=C1Cl MCULE-8638251148 [0,0,0,1,0,0|2,0,1]=4 258 B8R1.5 C[N+]1=CC=CC=C1N MCULE-2743273539 [0,0,0,1,0,0|2,0,1]=4 259 B8R1.5 C[N+]1=CC=CC=C1N MCULE-5842242242 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.5 NC1=C(C=CC=C1)O MCULE-7578442073 [0,0,0,1,0,0|1,0,2]=4 261 B8R1.5 NC1=CC=CC=C1O MCULE-3989828500 [0,0,0,1,0,0|1,0,2]=4 262 B8R1.5 NC1=CC=CC=C1O MCULE-5560819074 [0,0,0,1,0,0|1,0,2]=4 263 B8R1.5 O=C1C=CC=CN1O MCULE-1310193547 [0,0,0,1,0,0|2,0,1]=4 264 B8R1.5 OC1=C(C=CC=C1)Cl MCULE-3004295061 [0,0,0,1,0,0|1,0,2]=4 265 B8R1.5 OC1=C(C=CC=C1)F MCULE-2226997458 [0,0,0,1,0,0|1,0,2]=4 266 B8R1.5 OC1=C(C=CC=C1)I MCULE-3582520098 [0,0,0,1,0,0|1,0,2]=4 267 B8R1.5 OC1=C(C=CC=C1)O MCULE-9007211544 [0,0,0,1,0,0|1,0,2]=4 268 B8R1.5 OC1=CC=CC=C1Br MCULE-5590917057 [0,0,0,1,0,0|1,0,2]=4 269 B8R1.5 OC1=CC=CC=C1S MCULE-8135791469 [0,0,0,1,0,0|1,0,2]=4 270 B8R1.5 ON1C=CC=CC1=S MCULE-8509311308 [0,0,0,1,0,0|2,0,1]=4 271 B8R1.5 [NH3+]C1=CC=CC=C1O MCULE-8455666314 [0,0,0,1,0,0|1,0,2]=4 272 B8R1.5 [O-][N+]1=CC=CC=C1O MCULE-5561795370 [0,0,0,1,0,0|2,0,1]=4 273 B8R1.8 BrCCC1=CC=CO1 MCULE-3244967096 [0,0,0,1,0,0|1,0,2]=4 274 B8R1.8 CCC=C1CCNC1 MCULE-9512609772 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.8 CCCC1=CC=CO1 MCULE-9366942285 [0,0,0,1,0,0|0,0,2]=3 276 B8R1.8 CCCC1=CC=CS1 MCULE-8817558072 [0,0,0,1,0,0|0,1,2]=4 277 B8R1.8 CCCC1=CSC=C1 MCULE-9599727780 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.8 CCCC1=NCCO1 MCULE-4941877816 [0,0,0,1,0,0|1,0,2]=4 279 B8R1.8 CCCC1=NNC=C1 MCULE-4796035284 [0,0,0,1,0,0|2,0,1]=4 280 B8R1.8 CCCC1C=CCC1 MCULE-9112058760 [0,0,0,1,0,0|1,0,2]=4 281 B8R1.8 CCCC1C=CCN1 MCULE-1517781133 [0,0,0,1,0,0|1,0,2]=4 282 B8R1.8 CCNC1=CC=CS1 MCULE-7205367423 [0,0,0,1,0,0|1,1,1]=4 283 B8R1.8 CCOC1=CC=CS1 MCULE-9738674536 [0,0,0,1,0,0|1,1,1]=4 284 B8R1.8 CCOC1=CSC=C1 MCULE-5162522033 [0,0,0,1,0,0|3,0,0]=4 285 B8R1.8 CCOC1=NNC=C1 MCULE-4229986059 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.8 CCSC1=CC=CS1 MCULE-4395436034 [0,0,0,1,0,0|1,1,1]=4 287 B8R1.8 CNCC1=CC=CO1 MCULE-1710918294 [0,0,0,1,0,0|1,0,2]=4 288 B8R1.8 CNCC1=CC=CO1 MCULE-5299298318 [0,0,0,1,0,0|1,0,2]=4 289 B8R1.8 CNCC1=CC=NO1 MCULE-4000837015 [0,0,0,1,0,0|2,0,1]=4 290 B8R1.8 CNCC1=CC=NO1 MCULE-5783870927 [0,0,0,1,0,0|2,0,1]=4 291 B8R1.8 COCC1=CC=CO1 MCULE-8030118388 [0,0,0,1,0,0|1,0,2]=4 292 B8R1.8 CSCC1=CC=CO1 MCULE-5733837840 [0,0,0,1,0,0|1,0,2]=4 293 B8R1.8 NCCC1=CC=CO1 MCULE-1993487866 [0,0,0,1,0,0|1,0,2]=4 294 B8R1.8 NCCC1=CC=CO1 MCULE-7825208047 [0,0,0,1,0,0|1,0,2]=4 295 B8R1.8 NCCC1=CC=NO1 MCULE-8722721562 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.8 NCCC1=CC=NO1 MCULE-8813959532 [0,0,0,1,0,0|2,0,1]=4 297 B8R1.8 O/N=C/C1=CC=CN1 MCULE-1244959973 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.8 O/N=C/C1=CC=CO1 MCULE-4188924462 [0,0,0,1,0,0|2,0,1]=4 299 B8R1.8 O/N=C/C1=CC=CS1 MCULE-1951571090 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.8 O/N=C/C1=CSC=C1 MCULE-2882135618 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.8 OCCC1=CC=CN1 MCULE-2576699411 [0,0,0,1,0,0|1,0,2]=4 302 B8R1.8 OCCC1=CC=CO1 MCULE-1182357404 [0,0,0,1,0,0|1,0,2]=4 303 B8R1.8 OCCC1=CC=CS1 MCULE-2181055354 [0,0,0,1,0,0|1,0,2]=4 304 B8R1.8 OCCC1=CC=NS1 MCULE-7573985231 [0,0,0,1,0,0|2,0,1]=4 305 B8R1.8 OCCC1=COC=C1 MCULE-8553274962 [0,0,0,1,0,0|1,0,2]=4 306 B8R1.8 OCCC1=CSC=C1 MCULE-8375296269 [0,0,0,1,0,0|1,0,2]=4 307 B8R1.8 OCCC1=NNC=C1 MCULE-6475774899 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.8 OCCN1CCC=N1 MCULE-2686325949 [0,0,0,1,0,0|2,0,1]=4 309 B8R1.8 ON=CC1=CC=CN1 MCULE-8184966032 [0,0,0,1,0,0|2,0,1]=4 310 B8R1.8 ON=CC1=CC=CO1 MCULE-3931806527 [0,0,0,1,0,0|2,0,1]=4 311 B8R1.8 ON=CC1=CC=CS1 MCULE-4062933059 [0,0,0,1,0,0|2,0,1]=4 312 B8R1.8 ON=CC1=COC=C1 MCULE-8914608943 [0,0,0,1,0,0|2,0,1]=4 313 B8R1.8 ON=CC1=CSC=C1 MCULE-6550369660 [0,0,0,1,0,0|2,0,1]=4 314 B8R1.8 ONC=C1C=CC=N1 MCULE-9281053674 [0,0,0,1,0,0|2,0,1]=4 315 B8R1.11 C=CC1=CC=CN1C MCULE-1492192424 [0,0,0,1,0,0|2,0,1]=4 316 B8R1.11 CC1=C(C=CO1)CN MCULE-5251282165 [0,0,0,1,0,0|2,0,1]=4 317 B8R1.11 CC1=C(C=CO1)CO MCULE-7321265649 [0,0,0,1,0,0|1,0,1]=3 318 B8R1.11 CC1=C(C=NN1)CO MCULE-3686101220 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.11 CC1=C(C=NO1)CO MCULE-4541715943 [0,0,0,1,0,0|2,0,1]=4 320 B8R1.11 CC1=C(N=CN1)CO MCULE-7467912332 [0,0,0,1,0,0|2,0,1]=4 321 B8R1.11 CC1=C(N=CN1)CO MCULE-9125658618 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.11 CC1=C(N=CO1)CO MCULE-8020948211 [0,0,0,1,0,0|2,0,1]=4 323 B8R1.11 CC1=C(N=CS1)CO MCULE-2982672518 [0,0,0,1,0,0|2,0,1]=4 324 B8R1.11 CC1=C(N=CS1)CO MCULE-4568550982 [0,0,0,1,0,0|2,0,1]=4 325 B8R1.11 CC1=C(OC=C1)CN MCULE-2352949047 [0,0,0,1,0,0|2,0,1]=4 326 B8R1.11 CC1=C(OC=C1)CO MCULE-9104455772 [0,0,0,1,0,0|1,0,1]=3 327 B8R1.11 CC1=C(OC=C1)CS MCULE-7578747384 [0,0,0,1,0,0|1,1,1]=4 328 B8R1.11 CC1=C(OC=N1)CO MCULE-8507417332 [0,0,0,1,0,0|2,0,1]=4 329 B8R1.11 CC1=C(ON=C1)CO MCULE-9009924402 [0,0,0,1,0,0|2,0,1]=4 330 B8R1.11 CC1=C(SC=C1)CBr MCULE-2931813517 [0,0,0,1,0,0|2,0,1]=4 331 B8R1.11 CC1=C(SC=C1)CCl MCULE-4483197056 [0,0,0,1,0,0|2,0,1]=4 332 B8R1.11 CC1=C(SC=C1)CN MCULE-1604454057 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.11 CC1=C(SC=C1)CN MCULE-2693055075 [0,0,0,1,0,0|2,0,1]=4 334 B8R1.11 CC1=C(SC=C1)CO MCULE-6139465194 [0,0,0,1,0,0|1,0,1]=3 335 B8R1.11 CC1=C(SC=N1)CO MCULE-1920274475 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.11 CC1=CNN=C1CO MCULE-7216504383 [0,0,0,1,0,0|2,0,1]=4 337 B8R1.11 CC1=CON=C1CO MCULE-5450435187 [0,0,0,1,0,0|2,0,1]=4 338 B8R1.11 CC1=CSC=C1CBr MCULE-5591024603 [0,0,0,1,0,0|2,0,1]=4 339 B8R1.11 CC1=CSC=C1CN MCULE-2366679132 [0,0,0,1,0,0|2,0,1]=4 340 B8R1.11 CC1=CSC=C1CO MCULE-2002799846 [0,0,0,1,0,0|1,0,1]=3 341 B8R1.11 CC1=NOC=C1CO MCULE-9392549761 [0,0,0,1,0,0|2,0,1]=4 342 B8R1.11 CC1=NSC=C1CO MCULE-3473428292 [0,0,0,1,0,0|2,0,1]=4 343 B8R1.11 CCC1=C(SC=C1)Br MCULE-6065514127 [0,0,0,1,0,0|2,0,1]=4 344 B8R1.11 CCC1=C(SC=C1)Cl MCULE-6157414652 [0,0,0,1,0,0|2,0,1]=4 345 B8R1.11 CCC1=C(SC=C1)N MCULE-4451604839 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.11 CCC1=CC=CN1N MCULE-3219316456 [0,0,0,1,0,0|2,0,0]=3 347 B8R1.11 CCC1=CC=NN1C MCULE-6807072345 [0,0,0,1,0,0|3,0,0]=4 348 B8R1.11 CCC1=CN=CN1C MCULE-6470580705 [0,0,0,1,0,0|3,0,0]=4 349 B8R1.11 CCC1=CSC=C1Br MCULE-1301118926 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.11 CCN1N=CC=C1O MCULE-9331211869 [0,0,0,1,0,0|2,0,1]=4 351 B8R1.11 CC[N+]1=CC=CN1C MCULE-1689563914 [0,0,0,1,0,0|3,0,0]=4 352 B8R1.11 CC[N+]1=CC=CN1C MCULE-9049653056 [0,0,0,1,0,0|3,0,0]=4 353 B8R1.11 CN1C=CC=C1C#N MCULE-9047519312 [0,0,0,1,0,0|2,0,1]=4 354 B8R1.11 CN1C=CC=C1C=O MCULE-6257317045 [0,0,0,1,0,0|1,0,2]=4 355 B8R1.11 CN1C=CC=C1CN MCULE-4666453025 [0,0,0,1,0,0|2,0,0]=3 356 B8R1.11 CN1C=CC=C1CN MCULE-4973656166 [0,0,0,1,0,0|2,0,0]=3 357 B8R1.11 CN1C=CC=C1CO MCULE-7568721522 [0,0,0,1,0,0|1,0,0]=2 358 B8R1.11 CN1C=CC=C1CS MCULE-9744329447 [0,0,0,1,0,0|1,1,0]=3 359 B8R1.11 CN1C=CN=C1CBr MCULE-1606863497 [0,0,0,1,0,0|3,0,0]=4 360 B8R1.11 CN1C=CN=C1CBr MCULE-3791371917 [0,0,0,1,0,0|3,0,0]=4 361 B8R1.11 CN1C=CN=C1CCl MCULE-2096210393 [0,0,0,1,0,0|3,0,0]=4 362 B8R1.11 CN1C=CN=C1CCl MCULE-4644001974 [0,0,0,1,0,0|3,0,0]=4 363 B8R1.11 CN1C=CN=C1CF MCULE-5152424044 [0,0,0,1,0,0|3,0,0]=4 364 B8R1.11 CN1C=CN=C1CN MCULE-1068444430 [0,0,0,1,0,0|3,0,0]=4 365 B8R1.11 CN1C=CN=C1CN MCULE-5728098333 [0,0,0,1,0,0|3,0,0]=4 366 B8R1.11 CN1C=CN=C1CN MCULE-8497707863 [0,0,0,1,0,0|3,0,0]=4 367 B8R1.11 CN1C=CN=C1CO MCULE-1521474900 [0,0,0,1,0,0|2,0,0]=3 368 B8R1.11 CN1C=CN=C1CO MCULE-8693266867 [0,0,0,1,0,0|2,0,0]=3 369 B8R1.11 CN1C=NC=C1CBr MCULE-6977095298 [0,0,0,1,0,0|3,0,0]=4 370 B8R1.11 CN1C=NC=C1CBr MCULE-7160138849 [0,0,0,1,0,0|3,0,0]=4 371 B8R1.11 CN1C=NC=C1CCl MCULE-2888755882 [0,0,0,1,0,0|3,0,0]=4 372 B8R1.11 CN1C=NC=C1CCl MCULE-7855648270 [0,0,0,1,0,0|3,0,0]=4 373 B8R1.11 CN1C=NC=C1CN MCULE-4392851314 [0,0,0,1,0,0|3,0,0]=4 374 B8R1.11 CN1C=NC=C1CN MCULE-6611106164 [0,0,0,1,0,0|3,0,0]=4 375 B8R1.11 CN1C=NC=C1CO MCULE-5142443406 [0,0,0,1,0,0|2,0,0]=3 376 B8R1.11 CN1C=NN=C1CO MCULE-6030528749 [0,0,0,1,0,0|3,0,0]=4 377 B8R1.11 CN1N=CC=C1CBr MCULE-4129953668 [0,0,0,1,0,0|3,0,0]=4 378 B8R1.11 CN1N=CC=C1CBr MCULE-7492713849 [0,0,0,1,0,0|3,0,0]=4 379 B8R1.11 CN1N=CC=C1CCl MCULE-5247429045 [0,0,0,1,0,0|3,0,0]=4 380 B8R1.11 CN1N=CC=C1CCl MCULE-9542093776 [0,0,0,1,0,0|3,0,0]=4 381 B8R1.11 CN1N=CC=C1CN MCULE-5856130402 [0,0,0,1,0,0|3,0,0]=4 382 B8R1.11 CN1N=CC=C1CN MCULE-8887654915 [0,0,0,1,0,0|3,0,0]=4 383 B8R1.11 CN1N=CC=C1CN MCULE-9794344954 [0,0,0,1,0,0|3,0,0]=4 384 B8R1.11 CN1N=CC=C1CO MCULE-7385621229 [0,0,0,1,0,0|2,0,0]=3 385 B8R1.11 CN1N=CN=C1CO MCULE-2017582109 [0,0,0,1,0,0|3,0,0]=4 386 B8R1.11 CN1N=CN=C1CO MCULE-7193467896 [0,0,0,1,0,0|3,0,0]=4 387 B8R1.11 CN1N=NC=C1CO MCULE-5610976028 [0,0,0,1,0,0|3,0,0]=4 388 B8R1.11 NC1=C(SC=C1)CO MCULE-6189940771 [0,0,0,1,0,0|2,0,1]=4 389 B8R1.11 OCC1=C(C=CS1)Br MCULE-3425296121 [0,0,0,1,0,0|2,0,1]=4 390 B8R1.11 OCC1=C(C=CS1)Cl MCULE-5949360230 [0,0,0,1,0,0|2,0,1]=4 391 B8R1.11 OCC1=C(SC=C1)Br MCULE-9049690302 [0,0,0,1,0,0|2,0,1]=4 392 B8R1.11 OCC1=C(SC=C1)Cl MCULE-2378932350 [0,0,0,1,0,0|2,0,1]=4 393 B8R1.11 OCC1=CSC=C1Br MCULE-9495399693 [0,0,0,1,0,0|2,0,1]=4 394 B8R1.11 OC[C@H]1OC=C[C@@H]1O MCULE-7880756266 [0,0,0,1,0,0|2,0,1]=4 395 B8R1.22 BrC1C=CCCCC1 MCULE-3305569927 [0,0,0,1,0,0|1,0,2]=4 396 B8R1.22 NC1C=CCCCC1 MCULE-4893389838 [0,0,0,1,0,0|1,0,2]=4 397 B8R1.22 NC1CCC=CCC1 MCULE-6008496939 [0,0,0,1,0,0|1,0,2]=4 398 B8R1.22 NC1CCC=CCC1 MCULE-9914443406 [0,0,0,1,0,0|1,0,2]=4 399 B8R1.49 C1=CCCCCC=C1 MCULE-4007077583 [0,0,0,1,0,0|1,0,0]=2 400 B8R1.49 C1=CCCCCC=C1 MCULE-6072460693 [0,0,0,1,0,0|1,0,0]=2 401 B8R1.49 C1=CCCCCCC1 MCULE-9704495201 [0,0,0,1,0,0|1,0,2]=4 402 B8R1.49 C1=CCCCCCC1 MCULE-9874244790 [0,0,0,1,0,0|1,0,2]=4 403 B5R0.2 BrC/C=C/CBr MCULE-9004545331 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.2 BrCC=CCBr MCULE-4240565660 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.2 C(=CCCl)CN MCULE-8092426171 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.2 C(=CCCl)CN MCULE-9706120646 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.2 C(=C\CCl)\CN MCULE-3474871402 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [2,0,0,0,0,0|0,0,0]=2 409 B5R0.2 C/C=C/CCC MCULE-9851656818 [2,0,0,0,0,0|0,0,1]=3 410 B5R0.2 C/C=C/CCO MCULE-3952855392 [2,0,0,0,0,0|0,0,1]=3 411 B5R0.2 C/C=C/OCC MCULE-2891896400 [2,0,0,0,0,0|1,0,0]=3 412 B5R0.2 C/C=C\CCC MCULE-1013657748 [2,0,0,0,0,0|0,0,1]=3 413 B5R0.2 C=C/C=C/C=C MCULE-2938938774 [2,0,0,0,0,0|0,0,2]=4 414 B5R0.2 C=C/C=C/CC MCULE-5996202716 [2,0,0,0,0,0|0,0,0]=2 415 B5R0.2 C=C=CCCO MCULE-1054355649 [2,0,0,0,0,0|0,0,2]=4 416 B5R0.2 C=CC#CCO MCULE-5199716906 [2,0,0,0,0,0|0,0,2]=4 417 B5R0.2 C=CC/C=C/C MCULE-8732875285 [2,0,0,0,0,0|0,0,2]=4 418 B5R0.2 C=CCC=CC MCULE-8643449832 [2,0,0,0,0,0|0,0,2]=4 419 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|0,0,2]=4 420 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|0,0,2]=4 421 B5R0.2 C=CCNCC MCULE-6987567673 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.2 C=CCNCC MCULE-8318544337 [2,0,0,0,0,0|1,0,1]=4 423 B5R0.2 C=CCOCC MCULE-4363356618 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.2 C=CCSCC MCULE-3816911529 [2,0,0,0,0,0|1,0,1]=4 425 B5R0.2 C=COCCC MCULE-4423853666 [2,0,0,0,0,0|1,0,1]=4 426 B5R0.2 C=COCCO MCULE-9383372818 [2,0,0,0,0,0|1,0,1]=4 427 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|0,0,1]=3 428 B5R0.2 CC/C=C/CC MCULE-6762040186 [2,0,0,0,0,0|0,0,1]=3 429 B5R0.2 CC/C=C\C#N MCULE-2648641382 [2,0,0,0,0,0|1,0,1]=4 430 B5R0.2 CC/C=C\CC MCULE-9418110460 [2,0,0,0,0,0|0,0,1]=3 431 B5R0.2 CC/C=C\CO MCULE-5480473249 [2,0,0,0,0,0|0,0,0]=2 432 B5R0.2 CC=CC=CC MCULE-7702675183 [2,0,0,0,0,0|0,0,0]=2 433 B5R0.2 CC=CCCBr MCULE-7329159278 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.2 CC=CCCC MCULE-8736231124 [2,0,0,0,0,0|0,0,1]=3 435 B5R0.2 CC=CCCN MCULE-5129102475 [2,0,0,0,0,0|1,0,1]=4 436 B5R0.2 CC=CCCN MCULE-8500001929 [2,0,0,0,0,0|1,0,1]=4 437 B5R0.2 CC=CCCO MCULE-4302367089 [2,0,0,0,0,0|0,0,1]=3 438 B5R0.2 CC=COCC MCULE-1473170404 [2,0,0,0,0,0|1,0,0]=3 439 B5R0.2 CC=CSSC MCULE-2442770677 [2,0,0,0,0,0|2,0,0]=4 440 B5R0.2 CCC#CCO MCULE-8633965917 [2,0,0,0,0,0|0,0,2]=4 441 B5R0.2 CCC=CC#N MCULE-1091834842 [2,0,0,0,0,0|1,0,1]=4 442 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|0,0,1]=3 443 B5R0.2 CCC=CCBr MCULE-5326763881 [2,0,0,0,0,0|1,0,0]=3 444 B5R0.2 CCC=CCC MCULE-5435957422 [2,0,0,0,0,0|0,0,1]=3 445 B5R0.2 CCC=CCO MCULE-5633399984 [2,0,0,0,0,0|0,0,0]=2 446 B5R0.2 CCCC=NO MCULE-7364375780 [2,0,0,0,0,0|1,0,1]=4 447 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|0,0,2]=4 448 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|1,0,1]=4 449 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|1,0,1]=4 450 B5R0.2 CCO/C=C\Br MCULE-7396084973 [2,0,0,0,0,0|2,0,0]=4 451 B5R0.2 CCOC=CBr MCULE-5241125671 [2,0,0,0,0,0|2,0,0]=4 452 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|1,0,1]=4 454 B5R0.2 ClC/C=C/CCl MCULE-3586653669 [2,0,0,0,0,0|2,0,0]=4 455 B5R0.2 ClC/C=C\CCl MCULE-9193094097 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.2 ClCC=CCCl MCULE-9190878082 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.2 NC/C=C/CN MCULE-3194321905 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.2 NC/C=C/CN MCULE-8357316852 [2,0,0,0,0,0|2,0,0]=4 459 B5R0.2 NC/C=C\CCl MCULE-7895966955 [2,0,0,0,0,0|2,0,0]=4 460 B5R0.2 NC/C=C\CN MCULE-6310541400 [2,0,0,0,0,0|2,0,0]=4 461 B5R0.2 NC/C=C\CN MCULE-8765736519 [2,0,0,0,0,0|2,0,0]=4 462 B5R0.2 NCC=CCN MCULE-3768809289 [2,0,0,0,0,0|2,0,0]=4 463 B5R0.2 NCC=CCN MCULE-4004493343 [2,0,0,0,0,0|2,0,0]=4 464 B5R0.2 NCC=CCN MCULE-6780035248 [2,0,0,0,0,0|2,0,0]=4 465 B5R0.2 NCC=CCO MCULE-4993379992 [2,0,0,0,0,0|1,0,0]=3 466 B5R0.2 OC/C=C/CCl MCULE-4378785113 [2,0,0,0,0,0|1,0,0]=3 467 B5R0.2 OC/C=C/CO MCULE-4752272005 [2,0,0,0,0,0|1,0,0]=3 468 B5R0.2 OC/C=C\CO MCULE-2695577582 [2,0,0,0,0,0|1,0,0]=3 469 B5R0.2 OC=CCCBr MCULE-3964604828 [2,0,0,0,0,0|1,0,1]=4 470 B5R0.2 OC=CCCBr MCULE-5728835735 [2,0,0,0,0,0|1,0,1]=4 471 B5R0.2 OCC=CCCl MCULE-7597942117 [2,0,0,0,0,0|1,0,0]=3 472 B5R0.2 OCC=CCO MCULE-9559211408 [2,0,0,0,0,0|1,0,0]=3 473 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.3 C=CC=CC(=O)OC MCULE-1940821537 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.3 CC/C=C/C(C)CC MCULE-2438890702 [1,1,0,0,0,0|0,0,2]=4 477 B7R0.3 CC=C(C)C=NNC MCULE-5058431186 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|1,0,1]=4 479 B7R0.3 CC=CCC(C)CC MCULE-4817855750 [1,1,0,0,0,0|0,0,2]=4 480 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [1,1,0,0,0,0|0,0,1]=3 481 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.3 CCC(O)C=CC=O MCULE-4385008411 [1,1,0,0,0,0|0,0,2]=4 485 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [1,1,0,0,0,0|1,0,0]=3 486 B7R0.3 CCC=CC(C)CC MCULE-8910467842 [1,1,0,0,0,0|0,0,2]=4 487 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [1,1,0,0,0,0|0,0,2]=4 488 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.3 CNC(=O)C=CCN MCULE-3646722223 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.3 CNC(=O)C=CCN MCULE-6988679780 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.3 COC(=O)/C=C/CBr MCULE-5511432414 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.3 COC(=O)/C=C\CBr MCULE-5925439397 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.3 COC(=O)C=CCBr MCULE-1558782396 [1,1,0,0,0,0|2,0,0]=4 500 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [1,1,0,0,0,0|2,0,0]=4 501 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|0,0,1]=3 505 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|0,0,1]=3 506 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [1,1,0,0,0,0|0,0,1]=3 507 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-2438491537 [1,1,0,0,0,0|0,0,2]=4 508 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-8550303604 [1,1,0,0,0,0|0,0,2]=4 509 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [1,1,0,0,0,0|0,0,1]=3 510 B7R0.4 CC(=C=CCCO)C MCULE-7603464206 [1,1,0,0,0,0|0,0,2]=4 511 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [1,1,0,0,0,0|0,0,2]=4 512 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [1,1,0,0,0,0|0,0,1]=3 513 B7R0.4 CC=CC=CC(=O)Cl MCULE-7711381941 [1,1,0,0,0,0|0,0,2]=4 514 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [1,1,0,0,0,0|0,0,1]=3 515 B7R0.4 CC=CC=CC(=O)[O-] MCULE-4983552708 [1,1,0,0,0,0|0,0,2]=4 516 B7R0.4 CC=CC=CC(=O)[O-] MCULE-7794252065 [1,1,0,0,0,0|0,0,2]=4 517 B7R0.4 CCC/C=C/B(O)O MCULE-9613885434 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,1,0,0,0,0|0,0,1]=3 519 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|0,0,1]=3 520 B7R0.4 CCC=CCC(C)C MCULE-6798729321 [1,1,0,0,0,0|0,0,2]=4 521 B7R0.4 CCCC=CB(O)O MCULE-4057687975 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,1,0,0,0,0|0,0,1]=3 523 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [1,1,0,0,0,0|0,0,2]=4 524 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|0,0,1]=3 525 B7R0.4 CCCC=CC(C)C MCULE-6546702510 [1,1,0,0,0,0|0,0,2]=4 526 B7R0.4 CCO/C=C/C(=N)N MCULE-5385104731 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.4 CCO/C=C/C(=N)N MCULE-9722827005 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [1,1,0,0,0,0|1,0,1]=4 529 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,1,0,0,0,0|1,0,0]=3 530 B7R0.4 CCO/C=C/C(C)C MCULE-7416901605 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.4 CCOC=CB(O)O MCULE-6808942248 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [1,1,0,0,0,0|1,0,1]=4 533 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,1,0,0,0,0|1,0,0]=3 534 B7R0.4 CCOC=CC(C)C MCULE-3218868182 [1,1,0,0,0,0|1,0,1]=4 535 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,1,0,0,0,0|1,0,1]=4 536 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.7 C=C(CCC)CCO MCULE-1774943854 [1,1,0,0,0,0|0,0,2]=4 540 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [1,1,0,0,0,0|0,0,2]=4 542 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [1,1,0,0,0,0|1,0,1]=4 543 B7R0.7 CCOC(=N)CCO MCULE-8135932013 [1,1,0,0,0,0|1,0,1]=4 544 B7R0.7 CCOC(=N)CCO MCULE-9125708150 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [1,1,0,0,0,0|1,0,0]=3 547 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [1,1,0,0,0,0|1,0,0]=3 554 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [1,1,0,0,0,0|2,0,0]=4 558 B9R0.5 C(=C/C=C/C(=O)OCC)\C MCULE-3576105065 [0,2,0,0,0,0|1,0,1]=4 559 B9R0.5 CC/C=C/CC(=O)OCC MCULE-7234058677 [0,2,0,0,0,0|1,0,1]=4 560 B9R0.5 CC=CC=CC(=O)OCC MCULE-7644578303 [0,2,0,0,0,0|1,0,1]=4 561 B9R0.5 CCC/C=C/C(=O)OCC MCULE-4832092410 [0,2,0,0,0,0|1,0,1]=4 562 B9R0.5 CCC=CCC(=O)OCC MCULE-2895347288 [0,2,0,0,0,0|1,0,1]=4 563 B9R0.5 CCCC=CC(=O)OCC MCULE-6059990808 [0,2,0,0,0,0|1,0,1]=4 564 B9R0.5 CCO/C=C/C(=O)OCC MCULE-1507361975 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.5 CCOC(=O)C=CCCBr MCULE-9357314783 [0,2,0,0,0,0|1,0,1]=4 566 B9R0.5 CCOC(=O)C=CCCO MCULE-2905144053 [0,2,0,0,0,0|0,0,1]=3 567 B9R0.5 CCOC=CC(=O)OCC MCULE-6557988220 [0,2,0,0,0,0|2,0,0]=4 568 B9R0.34 CCOC(=O)/C=C(/C)\CBr MCULE-5435506921 [0,2,0,0,0,0|2,0,0]=4 569 B9R0.34 CCOC(=O)/C=C(\C)/CBr MCULE-5022962932 [0,2,0,0,0,0|2,0,0]=4 570 B9R0.34 CCOC(=O)/C=C(\C)/CC MCULE-9989234580 [0,2,0,0,0,0|2,0,0]=4 571 B9R0.34 CCOC(=O)/C=C(\C)/CO MCULE-8707746016 [0,2,0,0,0,0|1,0,0]=3 572 B9R0.34 CCOC(=O)/C=C(\N)/CC MCULE-1218147100 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.34 CCOC(=O)C=C(C)CBr MCULE-9716367840 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.34 CCOC(=O)C=C(C)CC MCULE-6939013516 [0,2,0,0,0,0|2,0,0]=4 575 B9R0.34 CCOC(=O)C=C(C)CO MCULE-6339947781 [0,2,0,0,0,0|1,0,0]=3 576 B9R0.34 CCOC(=O)C=C(N)CC MCULE-1320898760 [0,2,0,0,0,0|2,0,0]=4 577 B9R0.34 CCOC(=O)CC(=O)CO MCULE-2594117173 [0,2,0,0,0,0|1,0,1]=4 578 B9R0.35 CCOC(=O)C(=CCCl)C MCULE-3127553451 [0,2,0,0,0,0|2,0,0]=4 579 B9R0.48 CCNC(=O)C=CC(=O)O MCULE-3469131343 [0,2,0,0,0,0|1,0,1]=4 580 B9R0.48 CCOC(=O)/C=C/C(=O)O MCULE-2354207944 [0,2,0,0,0,0|1,0,1]=4 581 B9R0.48 CCOC(=O)/C=C/C(C)C MCULE-3748857850 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.48 CCOC(=O)/C=C/C(F)F MCULE-5843813125 [0,2,0,0,0,0|2,0,0]=4 583 B9R0.48 CCOC(=O)/C=C\C(=O)O MCULE-9139116808 [0,2,0,0,0,0|1,0,1]=4 584 B9R0.48 CCOC(=O)C=CB(O)O MCULE-3769461803 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.48 CCOC(=O)C=CC(=O)O MCULE-7475947730 [0,2,0,0,0,0|1,0,1]=4 586 B9R0.48 CCOC(=O)C=CC(C)C MCULE-5475079081 [0,2,0,0,0,0|2,0,0]=4 587 B9R0.48 CCOC(=O)C=CC(F)F MCULE-6161599045 [0,2,0,0,0,0|2,0,0]=4 588 B9R0.2 C/C=C/C=C/C=C/C(=O)O MCULE-6705197372 [0,2,0,0,0,0|0,0,2]=4 589 B9R0.2 CCC/C=C/C=C/C(=O)O MCULE-7747589239 [0,2,0,0,0,0|0,0,1]=3 590 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [0,2,0,0,0,0|0,0,2]=4 591 B9R0.2 CCCC=CC=CC(=O)O MCULE-5198543935 [0,2,0,0,0,0|0,0,1]=3 592 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [0,2,0,0,0,0|0,0,2]=4 593 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [0,2,0,0,0,0|0,0,2]=4 594 B9R0.45 C(=C\CCCCCO)\CC MCULE-7910166129 [0,2,0,0,0,0|0,0,2]=4 595 B9R0.45 CC/C=C/CC/C=C/C=O MCULE-2319284095 [0,2,0,0,0,0|0,0,2]=4 596 B9R0.45 CC/C=C/CC/C=C/CO MCULE-4498190734 [0,2,0,0,0,0|0,0,0]=2 597 B9R0.45 CC/C=C\CC/C=C/C=O MCULE-3029314831 [0,2,0,0,0,0|0,0,2]=4 598 B9R0.45 CC/C=C\CC/C=C/CO MCULE-1640795358 [0,2,0,0,0,0|0,0,0]=2 599 B9R0.45 CCC=CCC=CCCO MCULE-8061689428 [0,2,0,0,0,0|0,0,0]=2 600 B9R0.45 CCC=CCCC=CC=O MCULE-1244351376 [0,2,0,0,0,0|0,0,2]=4 601 B9R0.45 CCC=CCCC=CCO MCULE-1522324360 [0,2,0,0,0,0|0,0,0]=2 602 B9R0.45 CCC=CCCCCCO MCULE-1504274864 [0,2,0,0,0,0|0,0,2]=4 603 B9R0.45 CCCC/C=C/C=C/C=O MCULE-8109760299 [0,2,0,0,0,0|0,0,2]=4 604 B9R0.45 CCCCC/C=C\CCO MCULE-4434068395 [0,2,0,0,0,0|0,0,2]=4 605 B9R0.45 CCCCC=CC=CC=O MCULE-6291163980 [0,2,0,0,0,0|0,0,2]=4 606 B9R0.45 CCCCCC/C=C/CO MCULE-1969100525 [0,2,0,0,0,0|0,0,2]=4 607 B9R0.45 CCCCCC/C=C\CO MCULE-4688229291 [0,2,0,0,0,0|0,0,2]=4 608 B9R0.45 CCCCCC=CCCO MCULE-4969061256 [0,2,0,0,0,0|0,0,2]=4 609 B9R0.45 CCCCCCC=CCO MCULE-8666977236 [0,2,0,0,0,0|0,0,2]=4 610 B9R0.46 COC(=O)C=CC=CCBr MCULE-9826148459 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.24 COC(=O)C=CC(O)CO MCULE-8824735317 [0,2,0,0,0,0|1,0,1]=4 612 B9R0.47 CCO/C=C/C(=O)C(F)F MCULE-5085511708 [0,2,0,0,0,0|2,0,0]=4 613 B9R0.47 CCOC=CC(=O)C(F)F MCULE-5166610939 [0,2,0,0,0,0|2,0,0]=4 614 B7R1.1 BrCC1=CC=CO1 MCULE-5096860465 [1,0,0,1,0,0|1,0,0]=3 615 B7R1.1 BrCC1=CC=CS1 MCULE-6293280067 [1,0,0,1,0,0|1,1,0]=4 616 B7R1.1 BrCC1=CC=NO1 MCULE-4124334018 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [1,0,0,1,0,0|1,0,1]=4 618 B7R1.1 BrCC1=CN=CO1 MCULE-2008795038 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.1 BrCC1=NC=CO1 MCULE-7293850901 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.1 BrCC1=NC=CO1 MCULE-9076338518 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.1 BrCC1C=CCC1 MCULE-4270104932 [1,0,0,1,0,0|1,0,1]=4 622 B7R1.1 C#CC1=CC=CO1 MCULE-9828059853 [1,0,0,1,0,0|0,0,2]=4 623 B7R1.1 C=CC1=CC=CO1 MCULE-1348308043 [1,0,0,1,0,0|0,0,2]=4 624 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [1,0,0,1,0,0|0,0,2]=4 625 B7R1.1 CC=C1CCNC1 MCULE-9077980338 [1,0,0,1,0,0|1,0,1]=4 626 B7R1.1 CC=C1CCNC1 MCULE-9519724391 [1,0,0,1,0,0|1,0,1]=4 627 B7R1.1 CCC1=CC=CN1 MCULE-9168935708 [1,0,0,1,0,0|1,0,0]=3 628 B7R1.1 CCC1=CC=CO1 MCULE-6819919667 [1,0,0,1,0,0|0,0,0]=2 629 B7R1.1 CCC1=CC=CS1 MCULE-1811294638 [1,0,0,1,0,0|0,1,0]=3 630 B7R1.1 CCC1=CC=NO1 MCULE-9851288273 [1,0,0,1,0,0|1,0,0]=3 631 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [1,0,0,1,0,0|0,0,2]=4 632 B7R1.1 CCC1=CNC=C1 MCULE-7105940220 [1,0,0,1,0,0|1,0,1]=4 633 B7R1.1 CCC1=CNC=N1 MCULE-8328486416 [1,0,0,1,0,0|2,0,0]=4 634 B7R1.1 CCC1=CSC=C1 MCULE-7192433774 [1,0,0,1,0,0|1,0,1]=4 635 B7R1.1 CCC1=CSC=N1 MCULE-5672164022 [1,0,0,1,0,0|2,0,0]=4 636 B7R1.1 CCC1=NC=CN1 MCULE-8797415647 [1,0,0,1,0,0|2,0,0]=4 637 B7R1.1 CCC1=NC=CS1 MCULE-6172218863 [1,0,0,1,0,0|1,1,0]=4 638 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [1,0,0,1,0,0|1,0,1]=4 639 B7R1.1 CCC1=NN=CO1 MCULE-5874936167 [1,0,0,1,0,0|2,0,0]=4 640 B7R1.1 CCC1=NNC=C1 MCULE-4688737607 [1,0,0,1,0,0|2,0,0]=4 641 B7R1.1 CCC1C=CCN1 MCULE-4549893906 [1,0,0,1,0,0|1,0,1]=4 642 B7R1.1 CCC1C=CCN1 MCULE-7209552603 [1,0,0,1,0,0|1,0,1]=4 643 B7R1.1 CCN1C=CC=C1 MCULE-7636090544 [1,0,0,1,0,0|1,0,1]=4 644 B7R1.1 CCN1C=CC=N1 MCULE-3243448790 [1,0,0,1,0,0|2,0,0]=4 645 B7R1.1 CNC1=CC=CS1 MCULE-4218853022 [1,0,0,1,0,0|1,1,0]=4 646 B7R1.1 CNC1=NC=CO1 MCULE-4226358416 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.1 COC1=CC=CO1 MCULE-4991744131 [1,0,0,1,0,0|1,0,0]=3 648 B7R1.1 COC1=CC=CS1 MCULE-9593910029 [1,0,0,1,0,0|1,1,0]=4 649 B7R1.1 COC1=CCCC1 MCULE-6260649761 [1,0,0,1,0,0|1,0,1]=4 650 B7R1.1 CSC1=CC=CO1 MCULE-6438587509 [1,0,0,1,0,0|1,0,0]=3 651 B7R1.1 CSC1=CC=CS1 MCULE-7026431414 [1,0,0,1,0,0|1,1,0]=4 652 B7R1.1 CSC1=NC=CO1 MCULE-4140293694 [1,0,0,1,0,0|2,0,0]=4 653 B7R1.1 ClCC1=CC=CO1 MCULE-2683635266 [1,0,0,1,0,0|1,0,0]=3 654 B7R1.1 ClCC1=CC=CS1 MCULE-8332782682 [1,0,0,1,0,0|1,1,0]=4 655 B7R1.1 ClCC1=CC=NO1 MCULE-5240884287 [1,0,0,1,0,0|2,0,0]=4 656 B7R1.1 ClCC1=CN=CO1 MCULE-3059549694 [1,0,0,1,0,0|2,0,0]=4 657 B7R1.1 ClCC1=CN=CO1 MCULE-5157324132 [1,0,0,1,0,0|2,0,0]=4 658 B7R1.1 ClCC1=NC=CO1 MCULE-8397270188 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.1 ICC1=CC=CO1 MCULE-7510696289 [1,0,0,1,0,0|1,0,0]=3 660 B7R1.1 N#CC1=CC=CO1 MCULE-5841072941 [1,0,0,1,0,0|1,0,1]=4 661 B7R1.1 NCC1=CC=CN1 MCULE-3221298054 [1,0,0,1,0,0|2,0,0]=4 662 B7R1.1 NCC1=CC=CN1 MCULE-5686156853 [1,0,0,1,0,0|2,0,0]=4 663 B7R1.1 NCC1=CC=CO1 MCULE-3035218209 [1,0,0,1,0,0|1,0,0]=3 664 B7R1.1 NCC1=CC=CO1 MCULE-8280847881 [1,0,0,1,0,0|1,0,0]=3 665 B7R1.1 NCC1=CC=CS1 MCULE-5730076896 [1,0,0,1,0,0|1,1,0]=4 666 B7R1.1 NCC1=CC=CS1 MCULE-5815289362 [1,0,0,1,0,0|1,1,0]=4 667 B7R1.1 NCC1=CC=NO1 MCULE-4504896342 [1,0,0,1,0,0|2,0,0]=4 668 B7R1.1 NCC1=CC=NO1 MCULE-6113708508 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.1 NCC1=CN=CO1 MCULE-4275074650 [1,0,0,1,0,0|2,0,0]=4 670 B7R1.1 NCC1=CN=CO1 MCULE-7384356342 [1,0,0,1,0,0|2,0,0]=4 671 B7R1.1 NCC1=CN=CO1 MCULE-8227331702 [1,0,0,1,0,0|2,0,0]=4 672 B7R1.1 NCC1=NC=CO1 MCULE-4637859153 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.1 NCC1=NC=CO1 MCULE-7271712199 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [1,0,0,1,0,0|1,0,1]=4 675 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [1,0,0,1,0,0|1,0,1]=4 676 B7R1.1 NOC1=CC=CO1 MCULE-1613438607 [1,0,0,1,0,0|2,0,0]=4 677 B7R1.1 NOC1=CC=CO1 MCULE-4830480468 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.1 O=CC1=CC=CO1 MCULE-5757882837 [1,0,0,1,0,0|1,0,1]=4 679 B7R1.1 O=CC1=CC=NO1 MCULE-9603824695 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,0,0,1,0,0|0,0,2]=4 681 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [1,0,0,1,0,0|1,0,1]=4 682 B7R1.1 OCC1=CC=CN1 MCULE-5325446270 [1,0,0,1,0,0|1,0,0]=3 683 B7R1.1 OCC1=CC=CO1 MCULE-4977977402 [1,0,0,1,0,0|1,0,0]=3 684 B7R1.1 OCC1=CC=CS1 MCULE-8365761000 [1,0,0,1,0,0|1,0,0]=3 685 B7R1.1 OCC1=CC=NN1 MCULE-9206734976 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.1 OCC1=CC=NO1 MCULE-9887136642 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.1 OCC1=CC=NS1 MCULE-5309327051 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [1,0,0,1,0,0|0,0,1]=3 689 B7R1.1 OCC1=CN=CO1 MCULE-5114487613 [1,0,0,1,0,0|2,0,0]=4 690 B7R1.1 OCC1=CN=CS1 MCULE-7378624461 [1,0,0,1,0,0|2,0,0]=4 691 B7R1.1 OCC1=CNC=C1 MCULE-3286092527 [1,0,0,1,0,0|1,0,1]=4 692 B7R1.1 OCC1=CNC=N1 MCULE-7372960664 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.1 OCC1=CNC=N1 MCULE-7985661576 [1,0,0,1,0,0|2,0,0]=4 694 B7R1.1 OCC1=COC=C1 MCULE-1188853308 [1,0,0,1,0,0|1,0,1]=4 695 B7R1.1 OCC1=COC=N1 MCULE-6953437959 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.1 OCC1=CSC=C1 MCULE-5715575511 [1,0,0,1,0,0|1,0,1]=4 697 B7R1.1 OCC1=CSC=N1 MCULE-4231621770 [1,0,0,1,0,0|2,0,0]=4 698 B7R1.1 OCC1=NC=CN1 MCULE-2118723726 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.1 OCC1=NC=CN1 MCULE-8280197279 [1,0,0,1,0,0|2,0,0]=4 700 B7R1.1 OCC1=NC=CO1 MCULE-9104936820 [1,0,0,1,0,0|2,0,0]=4 701 B7R1.1 OCC1=NC=CS1 MCULE-1365703098 [1,0,0,1,0,0|2,0,0]=4 702 B7R1.1 OCC1=NC=CS1 MCULE-6771352555 [1,0,0,1,0,0|2,0,0]=4 703 B7R1.1 OCC1=NNC=C1 MCULE-7625791296 [1,0,0,1,0,0|2,0,0]=4 704 B7R1.1 OCC1=NOC=C1 MCULE-3216265153 [1,0,0,1,0,0|2,0,0]=4 705 B7R1.1 OCC1=NSC=C1 MCULE-8963767199 [1,0,0,1,0,0|2,0,0]=4 706 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [1,0,0,1,0,0|0,0,1]=3 707 B7R1.1 OCC1C=CCN1 MCULE-1461746159 [1,0,0,1,0,0|1,0,1]=4 708 B7R1.1 OCC1C=CCN1 MCULE-5814337815 [1,0,0,1,0,0|1,0,1]=4 709 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [1,0,0,1,0,0|0,0,2]=4 710 B7R1.1 OCN1C=CC=N1 MCULE-9665267248 [1,0,0,1,0,0|2,0,0]=4 711 B7R1.1 SCC1=CC=CO1 MCULE-3419389361 [1,0,0,1,0,0|1,0,0]=3 712 B7R1.1 SCC1=CC=CS1 MCULE-8555593113 [1,0,0,1,0,0|1,1,0]=4 713 B7R1.3 BrC1C=CCCC1 MCULE-1210573604 [1,0,0,1,0,0|1,0,1]=4 714 B7R1.3 CC1=CC=CC=C1 MCULE-4817136027 [1,0,0,1,0,0|0,0,2]=4 715 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [1,0,0,1,0,0|0,0,0]=2 716 B7R1.3 CC1=CCC=CC1 MCULE-8148706670 [1,0,0,1,0,0|0,0,2]=4 717 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [1,0,0,1,0,0|0,0,2]=4 718 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [1,0,0,1,0,0|0,0,2]=4 719 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [1,0,0,1,0,0|1,0,1]=4 720 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [1,0,0,1,0,0|1,0,1]=4 721 B7R1.3 CC1=CN=CC=C1 MCULE-7651055603 [1,0,0,1,0,0|1,0,1]=4 722 B7R1.3 CC1=NC=CC=C1 MCULE-3857746542 [1,0,0,1,0,0|1,0,1]=4 723 B7R1.3 CC1=NN=CC=C1 MCULE-3738378616 [1,0,0,1,0,0|2,0,0]=4 724 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [1,0,0,1,0,0|0,0,2]=4 725 B7R1.3 CC1CC=CCC1 MCULE-6343106785 [1,0,0,1,0,0|0,0,2]=4 726 B7R1.3 CN1CC=CCC1 MCULE-1566475259 [1,0,0,1,0,0|1,0,1]=4 727 B7R1.3 CN1CC=CCC1 MCULE-7879022625 [1,0,0,1,0,0|1,0,1]=4 728 B7R1.3 C[N+]1=CC=CC=C1 MCULE-1652210880 [1,0,0,1,0,0|1,0,1]=4 729 B7R1.3 C[N+]1=CC=CC=C1 MCULE-2089781249 [1,0,0,1,0,0|1,0,1]=4 730 B7R1.3 C[N+]1=CC=CC=C1 MCULE-3468210102 [1,0,0,1,0,0|1,0,1]=4 731 B7R1.3 C[N+]1=CC=CC=C1 MCULE-7370907990 [1,0,0,1,0,0|1,0,1]=4 732 B7R1.3 C[N+]1=CC=CC=C1 MCULE-7961589844 [1,0,0,1,0,0|1,0,1]=4 733 B7R1.3 ClC1C=CCCC1 MCULE-7233887185 [1,0,0,1,0,0|1,0,1]=4 734 B7R1.3 NC1C=CCCC1 MCULE-4482857573 [1,0,0,1,0,0|1,0,1]=4 735 B7R1.3 NC1C=CCCC1 MCULE-5378769676 [1,0,0,1,0,0|1,0,1]=4 736 B7R1.3 NC1CC=CCC1 MCULE-4040563231 [1,0,0,1,0,0|1,0,1]=4 737 B7R1.3 NC1CC=CCC1 MCULE-9904098902 [1,0,0,1,0,0|1,0,1]=4 738 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7764023195 [1,0,0,1,0,0|1,0,1]=4 739 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7983408030 [1,0,0,1,0,0|1,0,1]=4 740 B7R1.3 N[C@H]1CC=CCC1 MCULE-2054948922 [1,0,0,1,0,0|1,0,1]=4 741 B7R1.3 N[C@H]1CC=CCC1 MCULE-6634059436 [1,0,0,1,0,0|1,0,1]=4 742 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [1,0,0,1,0,0|1,0,1]=4 743 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [1,0,0,1,0,0|0,0,2]=4 744 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,1,0,0|1,0,1]=4 745 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [1,0,0,1,0,0|1,0,1]=4 746 B7R1.3 OC1=CC=CC=C1 MCULE-9943948107 [1,0,0,1,0,0|0,0,2]=4 747 B7R1.3 OC1=CN=CC=C1 MCULE-3642491076 [1,0,0,1,0,0|1,0,1]=4 748 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [1,0,0,1,0,0|2,0,0]=4 749 B7R1.3 OC1=NC=CC=C1 MCULE-2999696825 [1,0,0,1,0,0|1,0,1]=4 750 B7R1.3 OC1=NC=CC=C1 MCULE-3754843987 [1,0,0,1,0,0|1,0,1]=4 751 B7R1.3 OC1=NN=CC=C1 MCULE-6627322308 [1,0,0,1,0,0|2,0,0]=4 752 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [1,0,0,1,0,0|0,0,1]=3 753 B7R1.3 OC1C=CCNC1 MCULE-1616136732 [1,0,0,1,0,0|1,0,1]=4 754 B7R1.3 OC1C=CCNC1 MCULE-6073391464 [1,0,0,1,0,0|1,0,1]=4 755 B7R1.3 OC1C=CCOC1 MCULE-7810293257 [1,0,0,1,0,0|1,0,1]=4 756 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [1,0,0,1,0,0|0,0,1]=3 757 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [1,0,0,1,0,0|0,0,1]=3 758 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [1,0,0,1,0,0|1,0,1]=4 759 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [1,0,0,1,0,0|1,0,1]=4 760 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [1,0,0,1,0,0|1,0,1]=4 761 B7R1.4 CC1=CC=CN1C MCULE-7997774693 [1,0,0,1,0,0|1,0,0]=3 762 B7R1.4 CC1=CC=NN1C MCULE-9285969175 [1,0,0,1,0,0|2,0,0]=4 763 B7R1.4 CC1=CN=CN1C MCULE-8637470675 [1,0,0,1,0,0|2,0,0]=4 764 B7R1.4 CC1=CNC=C1C MCULE-4758724479 [1,0,0,1,0,0|1,0,1]=4 765 B7R1.4 CC1=CSC=C1C MCULE-2505833521 [1,0,0,1,0,0|1,0,1]=4 766 B7R1.4 CC1=NC=CN1C MCULE-6619799827 [1,0,0,1,0,0|2,0,0]=4 767 B7R1.4 CN1C=CC=C1Cl MCULE-2760073099 [1,0,0,1,0,0|2,0,0]=4 768 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [1,0,0,1,0,0|1,0,0]=3 769 B7R1.4 CN1N=CC=C1O MCULE-1012956210 [1,0,0,1,0,0|2,0,0]=4 770 B7R1.4 CN1N=CC=C1O MCULE-9024912006 [1,0,0,1,0,0|2,0,0]=4 771 B7R1.6 BrCC=C1CCC1 MCULE-3837147249 [1,0,0,1,0,0|1,0,1]=4 772 B7R1.7 CC/C=C/[C@H]1CO1 MCULE-2083815927 [1,0,0,1,0,0|0,0,1]=3 773 B7R1.7 COC=CC1CC1 MCULE-6861075225 [1,0,0,1,0,0|1,0,1]=4 774 B7R1.7 OCC=CC1CC1 MCULE-8179220972 [1,0,0,1,0,0|0,0,1]=3 775 B7R1.24 C1=CC=CCC=C1 MCULE-6950733657 [1,0,0,1,0,0|0,0,2]=4 776 B7R1.24 C1=CCCCC=C1 MCULE-2850567195 [1,0,0,1,0,0|0,0,0]=2 777 B7R1.24 C1=CCCCCC1 MCULE-4514853156 [1,0,0,1,0,0|0,0,2]=4 778 B7R1.24 C1=CCCNCC1 MCULE-4540835407 [1,0,0,1,0,0|1,0,1]=4 779 B7R1.24 C1=CCCNCC1 MCULE-9349712539 [1,0,0,1,0,0|1,0,1]=4 780 B7R1.24 C1=CCOCOC1 MCULE-2815492798 [1,0,0,1,0,0|1,0,1]=4 781 B9R1.2 CC1=CC(=CC=C1)CBr MCULE-4055819645 [0,1,0,1,0,0|1,0,1]=4 782 B9R1.2 CC1=CC(=CC=C1)CCl MCULE-3427979690 [0,1,0,1,0,0|1,0,1]=4 783 B9R1.2 CC1=CC(=CC=C1)CN MCULE-7858581076 [0,1,0,1,0,0|1,0,1]=4 784 B9R1.2 CC1=CC(=CC=C1)CO MCULE-8641267719 [0,1,0,1,0,0|0,0,1]=3 785 B9R1.2 CC1=CC(=NC=C1)CO MCULE-7603200677 [0,1,0,1,0,0|1,0,1]=4 786 B9R1.2 CC1=CC(=NN=C1)CO MCULE-3910159000 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.2 CC1=CC=CC(=C1)CS MCULE-5486930284 [0,1,0,1,0,0|0,1,1]=4 788 B9R1.2 CC1=CC=CC(=N1)CBr MCULE-6588135069 [0,1,0,1,0,0|1,0,1]=4 789 B9R1.2 CC1=CC=CC(=N1)CBr MCULE-8949500512 [0,1,0,1,0,0|1,0,1]=4 790 B9R1.2 CC1=CC=CC(=N1)CCl MCULE-5463142636 [0,1,0,1,0,0|1,0,1]=4 791 B9R1.2 CC1=CC=CC(=N1)CCl MCULE-6564491498 [0,1,0,1,0,0|1,0,1]=4 792 B9R1.2 CC1=CC=CC(=N1)CN MCULE-3782520022 [0,1,0,1,0,0|1,0,1]=4 793 B9R1.2 CC1=CC=CC(=N1)CN MCULE-6513472103 [0,1,0,1,0,0|1,0,1]=4 794 B9R1.2 CC1=CN=CC(=C1)CO MCULE-5296139945 [0,1,0,1,0,0|1,0,1]=4 795 B9R1.2 CC1=CN=CC(=N1)CO MCULE-1632284509 [0,1,0,1,0,0|1,0,1]=4 796 B9R1.2 CC1=NC(=CC=C1)CN MCULE-7646619968 [0,1,0,1,0,0|1,0,1]=4 797 B9R1.2 CC1=NC(=CC=C1)CO MCULE-7303072149 [0,1,0,1,0,0|0,0,1]=3 798 B9R1.2 CC1=NC(=CC=N1)CO MCULE-2120372317 [0,1,0,1,0,0|1,0,1]=4 799 B9R1.2 CC1=NC(=NC=C1)CO MCULE-6505609306 [0,1,0,1,0,0|1,0,1]=4 800 B9R1.2 CC1=NC=CC(=C1)CO MCULE-1215488548 [0,1,0,1,0,0|1,0,1]=4 801 B9R1.2 CCC1=CC(=CC=C1)Br MCULE-1588128467 [0,1,0,1,0,0|1,0,1]=4 802 B9R1.2 CCC1=CC(=CC=C1)C MCULE-5855615432 [0,1,0,1,0,0|1,0,1]=4 803 B9R1.2 CCC1=CC(=CC=C1)Cl MCULE-7983820709 [0,1,0,1,0,0|1,0,1]=4 804 B9R1.2 CCC1=CC(=CC=C1)N MCULE-8273392972 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.2 CCC1=CC(=CC=C1)O MCULE-6091136568 [0,1,0,1,0,0|0,0,1]=3 806 B9R1.2 CCC1=CC(=CC=C1)S MCULE-7998173644 [0,1,0,1,0,0|0,1,1]=4 807 B9R1.2 CCC1=CC(=CN=C1)Br MCULE-6288076775 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.2 CCC1=CC(=CN=C1)C MCULE-7404426802 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.2 CCC1=CC(=CN=C1)N MCULE-4908330879 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.2 CCC1=CC(=O)CCC1 MCULE-3934640256 [0,1,0,1,0,0|1,0,1]=4 811 B9R1.2 CCC1=CC=CC(=C1)F MCULE-1961357182 [0,1,0,1,0,0|1,0,1]=4 812 B9R1.2 CCC1=CC=CC(=C1)I MCULE-9371759727 [0,1,0,1,0,0|1,0,1]=4 813 B9R1.2 CCC1=CC=CC(=N1)Br MCULE-7756432837 [0,1,0,1,0,0|1,0,1]=4 814 B9R1.2 CCC1=CC=CC(=N1)Cl MCULE-3015168915 [0,1,0,1,0,0|1,0,1]=4 815 B9R1.2 CCC1=CC=CC(=N1)N MCULE-6895989063 [0,1,0,1,0,0|1,0,1]=4 816 B9R1.2 CCC1=CC=NC(=N1)O MCULE-7588072562 [0,1,0,1,0,0|1,0,1]=4 817 B9R1.2 CCC1=CC=NC(=N1)O MCULE-9418348858 [0,1,0,1,0,0|1,0,1]=4 818 B9R1.2 CCC1=CN=CC(=C1)Cl MCULE-6331123637 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.2 CCC1=CN=CC(=C1)O MCULE-3324386952 [0,1,0,1,0,0|1,0,1]=4 820 B9R1.2 CCC1=CN=CC(=N1)O MCULE-7624875346 [0,1,0,1,0,0|1,0,1]=4 821 B9R1.2 CCC1=NC(=CC=C1)C MCULE-5304867634 [0,1,0,1,0,0|1,0,1]=4 822 B9R1.2 CCC1=NC(=CC=N1)O MCULE-1139995034 [0,1,0,1,0,0|1,0,1]=4 823 B9R1.2 CCC1=NC=CC(=C1)Br MCULE-1936026930 [0,1,0,1,0,0|1,0,1]=4 824 B9R1.2 CCC1=NC=CC(=C1)N MCULE-6765276767 [0,1,0,1,0,0|1,0,1]=4 825 B9R1.2 CC[N+]1=CC=CC(=C1)O MCULE-5797035247 [0,1,0,1,0,0|1,0,1]=4 826 B9R1.2 CNC1=CC(=CC=C1)O MCULE-5741783407 [0,1,0,1,0,0|1,0,1]=4 827 B9R1.2 COC1=CC=CC(=C1)O MCULE-7145223398 [0,1,0,1,0,0|1,0,1]=4 828 B9R1.2 COC1=CC=CC(=N1)O MCULE-3718227051 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.2 CSC1=CC=CC(=C1)O MCULE-5260452701 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.2 NC1=CC(=CC=C1)CO MCULE-4899627502 [0,1,0,1,0,0|0,0,2]=4 831 B9R1.2 NC1=CC(=CN=C1)CO MCULE-6740023683 [0,1,0,1,0,0|1,0,1]=4 832 B9R1.2 NC1=CC(=NC=C1)CO MCULE-6127566057 [0,1,0,1,0,0|1,0,1]=4 833 B9R1.2 NC1=CC(=NC=C1)CO MCULE-6531686537 [0,1,0,1,0,0|1,0,1]=4 834 B9R1.2 NC1=CC=CC(=N1)CO MCULE-1046059915 [0,1,0,1,0,0|1,0,1]=4 835 B9R1.2 NC1C=CCC(C1)CO MCULE-6703017968 [0,1,0,1,0,0|0,0,2]=4 836 B9R1.2 NCC1=CC=CC(=C1)O MCULE-2833003511 [0,1,0,1,0,0|1,0,1]=4 837 B9R1.2 NCC1=CC=CC(=C1)O MCULE-8966099978 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.2 N[C@@H]1C=CC[C@@H](C1)CO MCULE-3596102991 [0,1,0,1,0,0|0,0,2]=4 839 B9R1.2 N[C@@H]1C=CC[C@H](C1)CO MCULE-3339595306 [0,1,0,1,0,0|0,0,2]=4 840 B9R1.2 N[C@H]1C=CC[C@@H](C1)CO MCULE-1352423223 [0,1,0,1,0,0|0,0,2]=4 841 B9R1.2 N[C@H]1C=CC[C@H](C1)CO MCULE-4606335241 [0,1,0,1,0,0|0,0,2]=4 842 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.2 OC1=CC(=CC=C1)CCl MCULE-2928042100 [0,1,0,1,0,0|1,0,1]=4 844 B9R1.2 OC1=CC(=CC=C1)CS MCULE-9840748332 [0,1,0,1,0,0|1,0,1]=4 845 B9R1.2 OC1=CC=CC(=C1)CBr MCULE-5357892360 [0,1,0,1,0,0|1,0,1]=4 846 B9R1.2 OCC1=CC(=CC=C1)Cl MCULE-9415372998 [0,1,0,1,0,0|0,0,2]=4 847 B9R1.2 OCC1=CC(=CC=C1)F MCULE-3447481191 [0,1,0,1,0,0|0,0,2]=4 848 B9R1.2 OCC1=CC(=CC=C1)I MCULE-5382753822 [0,1,0,1,0,0|0,0,2]=4 849 B9R1.2 OCC1=CC(=CC=C1)O MCULE-7074343589 [0,1,0,1,0,0|0,0,2]=4 850 B9R1.2 OCC1=CC(=CC=C1)S MCULE-5858509817 [0,1,0,1,0,0|0,0,2]=4 851 B9R1.2 OCC1=CC(=CC=N1)I MCULE-1574620200 [0,1,0,1,0,0|1,0,1]=4 852 B9R1.2 OCC1=CC(=CN=C1)Br MCULE-5646643820 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.2 OCC1=CC(=CN=C1)Br MCULE-6065684206 [0,1,0,1,0,0|1,0,1]=4 854 B9R1.2 OCC1=CC(=CN=C1)Cl MCULE-7779909306 [0,1,0,1,0,0|1,0,1]=4 855 B9R1.2 OCC1=CC(=CN=C1)F MCULE-5705162776 [0,1,0,1,0,0|1,0,1]=4 856 B9R1.2 OCC1=CC(=CN=C1)I MCULE-1152743624 [0,1,0,1,0,0|1,0,1]=4 857 B9R1.2 OCC1=CC=CC(=C1)Br MCULE-7051260776 [0,1,0,1,0,0|0,0,2]=4 858 B9R1.2 OCC1=CC=CC(=N1)Cl MCULE-9109112577 [0,1,0,1,0,0|1,0,1]=4 859 B9R1.2 OCC1=CN=CC(=C1)O MCULE-3591435563 [0,1,0,1,0,0|1,0,1]=4 860 B9R1.2 OCC1=NC(=CC=C1)Br MCULE-1789052666 [0,1,0,1,0,0|1,0,1]=4 861 B9R1.2 OCC1=NC(=CC=C1)Cl MCULE-2737637534 [0,1,0,1,0,0|1,0,1]=4 862 B9R1.2 OCC1=NC(=CC=C1)F MCULE-7950812741 [0,1,0,1,0,0|1,0,1]=4 863 B9R1.2 OCC1=NC(=CC=C1)I MCULE-8676926621 [0,1,0,1,0,0|1,0,1]=4 864 B9R1.2 OCC1=NC(=CC=C1)O MCULE-2555912313 [0,1,0,1,0,0|1,0,1]=4 865 B9R1.2 OCC1=NC=CC(=C1)Br MCULE-4756730593 [0,1,0,1,0,0|1,0,1]=4 866 B9R1.2 OCC1=NC=CC(=C1)Cl MCULE-2577180587 [0,1,0,1,0,0|1,0,1]=4 867 B9R1.2 OCC1=NC=CC(=C1)Cl MCULE-7592179673 [0,1,0,1,0,0|1,0,1]=4 868 B9R1.2 OCC1=NC=CC(=C1)F MCULE-2953328480 [0,1,0,1,0,0|1,0,1]=4 869 B9R1.2 OCC1=NC=CC(=C1)O MCULE-8676575507 [0,1,0,1,0,0|1,0,1]=4 870 B9R1.2 OC[C@H]1CC=C[C@H](C1)O MCULE-2033409261 [0,1,0,1,0,0|0,0,2]=4 871 B9R1.2 [O-][N+]1=CC=CC(=C1)CO MCULE-3403956668 [0,1,0,1,0,0|1,0,1]=4 872 B9R1.7 CC1=CC=C(O1)/C=N/O MCULE-3002769978 [0,1,0,1,0,0|1,0,1]=4 873 B9R1.7 CC1=CC=C(O1)C=NO MCULE-6889127120 [0,1,0,1,0,0|1,0,1]=4 874 B9R1.7 CC1=CC=C(O1)CCO MCULE-5823639979 [0,1,0,1,0,0|0,0,2]=4 875 B9R1.7 CC1=CC=C(S1)/C=N/O MCULE-1922624060 [0,1,0,1,0,0|1,0,1]=4 876 B9R1.7 CC1=CC=C(S1)C=NO MCULE-2528870553 [0,1,0,1,0,0|1,0,1]=4 877 B9R1.7 CC1=CC=C(S1)CCO MCULE-9611454914 [0,1,0,1,0,0|0,0,2]=4 878 B9R1.7 CCCC1=CC(=NO1)N MCULE-8712146601 [0,1,0,1,0,0|1,0,1]=4 879 B9R1.7 CCCC1=CC(=O)NO1 MCULE-6359118508 [0,1,0,1,0,0|1,0,1]=4 880 B9R1.7 CCOC1=CC(=NO1)N MCULE-4183413773 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.7 CCOC1=CC(=O)CC1 MCULE-4336671577 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.7 CN1C=CC(=N1)CCO MCULE-8475625678 [0,1,0,1,0,0|1,0,1]=4 883 B9R1.8 BrCCC1=CC=CC=C1 MCULE-6003855472 [0,1,0,1,0,0|1,0,1]=4 884 B9R1.8 BrCCC1=CC=CN=C1 MCULE-7479690403 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.8 BrCCC1=CN=CC=C1 MCULE-3043304596 [0,1,0,1,0,0|2,0,0]=4 886 B9R1.8 BrCCC1=NC=CC=C1 MCULE-1640275337 [0,1,0,1,0,0|1,0,1]=4 887 B9R1.8 BrCCC1=NC=CC=C1 MCULE-1929301201 [0,1,0,1,0,0|1,0,1]=4 888 B9R1.8 CCCC1=CC=CC=C1 MCULE-1436126757 [0,1,0,1,0,0|1,0,1]=4 889 B9R1.8 CCCC1=CC=CCC1 MCULE-2133268475 [0,1,0,1,0,0|1,0,0]=3 890 B9R1.8 CCCC1=CN=CC=C1 MCULE-2831209066 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.8 CCCC1=NC=CC=C1 MCULE-3716571144 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.8 CCNC1=CC=CC=C1 MCULE-4900118020 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.8 CCNC1=CC=CC=N1 MCULE-3397237645 [0,1,0,1,0,0|1,0,1]=4 894 B9R1.8 CCNC1=CN=CC=C1 MCULE-1344786137 [0,1,0,1,0,0|2,0,0]=4 895 B9R1.8 CCNC1=NN=CC=C1 MCULE-8156174849 [0,1,0,1,0,0|2,0,0]=4 896 B9R1.8 CCOC1=CC=CC=C1 MCULE-1435278355 [0,1,0,1,0,0|1,0,1]=4 897 B9R1.8 CCOC1=CC=CC=N1 MCULE-6126291412 [0,1,0,1,0,0|1,0,1]=4 898 B9R1.8 CCOC1=CN=CC=C1 MCULE-8290861148 [0,1,0,1,0,0|2,0,0]=4 899 B9R1.8 CCOC1=NN=CC=C1 MCULE-1397817073 [0,1,0,1,0,0|2,0,0]=4 900 B9R1.8 CCSC1=CC=CC=C1 MCULE-9055983975 [0,1,0,1,0,0|1,0,1]=4 901 B9R1.8 CCSC1=CC=CC=N1 MCULE-1839815436 [0,1,0,1,0,0|1,0,1]=4 902 B9R1.8 CNCC1=CC=CC=C1 MCULE-6435964741 [0,1,0,1,0,0|1,0,1]=4 903 B9R1.8 CNCC1=CC=CC=C1 MCULE-8276463605 [0,1,0,1,0,0|1,0,1]=4 904 B9R1.8 CNCC1=CC=CN=C1 MCULE-4290536828 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.8 CNCC1=CN=CC=C1 MCULE-1588784043 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.8 CNCC1=CN=CC=C1 MCULE-3838880750 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.8 CNCC1=NC=CC=C1 MCULE-4521546566 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.8 CNCC1=NC=CC=C1 MCULE-5545747227 [0,1,0,1,0,0|1,0,1]=4 909 B9R1.8 CNCC1=NC=CC=C1 MCULE-5639986585 [0,1,0,1,0,0|1,0,1]=4 910 B9R1.8 CNCC1=NN=CC=C1 MCULE-5023676622 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.8 CNCC1=NN=CC=C1 MCULE-8294040532 [0,1,0,1,0,0|2,0,0]=4 912 B9R1.8 COCC1=CC=CC=C1 MCULE-4554043273 [0,1,0,1,0,0|0,0,2]=4 913 B9R1.8 COCC1=CC=CC=N1 MCULE-8966491068 [0,1,0,1,0,0|1,0,1]=4 914 B9R1.8 COCC1=CC=CN=C1 MCULE-1847599180 [0,1,0,1,0,0|1,0,1]=4 915 B9R1.8 COCC1=CCNCC1 MCULE-1208310351 [0,1,0,1,0,0|1,0,1]=4 916 B9R1.8 COCC1=CCNCC1 MCULE-4971279557 [0,1,0,1,0,0|1,0,1]=4 917 B9R1.8 CSCC1=CC=CC=C1 MCULE-5017703613 [0,1,0,1,0,0|1,0,1]=4 918 B9R1.8 CSCC1=CC=CC=N1 MCULE-2274252087 [0,1,0,1,0,0|1,0,1]=4 919 B9R1.8 CSCC1=CN=CC=C1 MCULE-2958577541 [0,1,0,1,0,0|2,0,0]=4 920 B9R1.8 ClCCC1=CC=CC=C1 MCULE-8511172459 [0,1,0,1,0,0|1,0,1]=4 921 B9R1.8 ClCCC1=CC=CN=C1 MCULE-7972622152 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.8 ClCCC1=CN=CC=C1 MCULE-7810829416 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.8 ClCCC1=NC=CC=C1 MCULE-6258443538 [0,1,0,1,0,0|1,0,1]=4 924 B9R1.8 ClCCC1=NC=CC=C1 MCULE-6869606088 [0,1,0,1,0,0|1,0,1]=4 925 B9R1.8 FCCC1=CC=CC=C1 MCULE-2629998181 [0,1,0,1,0,0|1,0,1]=4 926 B9R1.8 ICCC1=CC=CC=C1 MCULE-5316958432 [0,1,0,1,0,0|1,0,1]=4 927 B9R1.8 ICCC1=CN=CC=C1 MCULE-2176060519 [0,1,0,1,0,0|2,0,0]=4 928 B9R1.8 ICCC1=CN=CC=C1 MCULE-8794522367 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.8 NCCC1=CC=CC=C1 MCULE-5305816256 [0,1,0,1,0,0|1,0,1]=4 930 B9R1.8 NCCC1=CC=CC=C1 MCULE-5640955787 [0,1,0,1,0,0|1,0,1]=4 931 B9R1.8 NCCC1=CC=CC=C1 MCULE-7553223367 [0,1,0,1,0,0|1,0,1]=4 932 B9R1.8 NCCC1=CC=CC=C1 MCULE-9850967903 [0,1,0,1,0,0|1,0,1]=4 933 B9R1.8 NCCC1=CC=CC=N1 MCULE-4047034509 [0,1,0,1,0,0|1,0,1]=4 934 B9R1.8 NCCC1=CC=CN=C1 MCULE-1624723468 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.8 NCCC1=CC=CN=C1 MCULE-2674016305 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.8 NCCC1=CC=CN=C1 MCULE-4045443745 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.8 NCCC1=CC=CN=C1 MCULE-4318976073 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.8 NCCC1=NC=CC=C1 MCULE-5259176751 [0,1,0,1,0,0|1,0,1]=4 939 B9R1.8 NOCC1=CC=CC=C1 MCULE-5591314048 [0,1,0,1,0,0|0,0,2]=4 940 B9R1.8 NOCC1=CC=CC=C1 MCULE-8102041257 [0,1,0,1,0,0|0,0,2]=4 941 B9R1.8 NOCC1=CC=CC=N1 MCULE-3521384635 [0,1,0,1,0,0|1,0,1]=4 942 B9R1.8 NOCC1=CC=CN=C1 MCULE-5582309102 [0,1,0,1,0,0|1,0,1]=4 943 B9R1.8 NOCC1=CN=CC=C1 MCULE-2621175096 [0,1,0,1,0,0|1,0,1]=4 944 B9R1.8 NOCC1=NC=CC=C1 MCULE-3145283931 [0,1,0,1,0,0|1,0,1]=4 945 B9R1.8 NOCC1=NC=CC=C1 MCULE-8515519152 [0,1,0,1,0,0|1,0,1]=4 946 B9R1.8 OCC=C1CCCCC1 MCULE-1575946847 [0,1,0,1,0,0|0,0,2]=4 947 B9R1.8 OCCC1=CC=CC=C1 MCULE-8439044075 [0,1,0,1,0,0|0,0,2]=4 948 B9R1.8 OCCC1=CCCCC1 MCULE-5341389843 [0,1,0,1,0,0|0,0,2]=4 949 B9R1.8 OCCC1=CCOCC1 MCULE-5767637910 [0,1,0,1,0,0|0,0,2]=4 950 B9R1.8 OCCC1=CN=CC=C1 MCULE-8840189942 [0,1,0,1,0,0|1,0,1]=4 951 B9R1.8 OCCC1=NC=CC=C1 MCULE-6875199356 [0,1,0,1,0,0|1,0,1]=4 952 B9R1.8 OCCC1=NN=CC=C1 MCULE-2070023751 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.8 OCCC1C=CCCC1 MCULE-4423636846 [0,1,0,1,0,0|0,0,2]=4 954 B9R1.8 ONCC1=CC=CC=C1 MCULE-5550198942 [0,1,0,1,0,0|0,0,2]=4 955 B9R1.8 ONCC1=CC=CC=C1 MCULE-9817440897 [0,1,0,1,0,0|0,0,2]=4 956 B9R1.8 SCCC1=CC=CC=C1 MCULE-2079245300 [0,1,0,1,0,0|1,0,1]=4 957 B9R1.8 SCCC1=NC=CC=C1 MCULE-1636219544 [0,1,0,1,0,0|1,0,1]=4 958 B9R1.8 [NH3+]OCC1=CC=CC=C1 MCULE-1361147646 [0,1,0,1,0,0|0,0,2]=4 959 B9R1.8 [NH3+]OCC1=CC=CC=C1 MCULE-2177960564 [0,1,0,1,0,0|0,0,2]=4 960 B9R1.12 BrCCCC1=CC=CO1 MCULE-9152239637 [0,1,0,1,0,0|0,0,2]=4 961 B9R1.12 CCCCC1=CC=CO1 MCULE-3071851671 [0,1,0,1,0,0|0,0,2]=4 962 B9R1.12 CCNCC1=CC=CO1 MCULE-7506170762 [0,1,0,1,0,0|0,0,2]=4 963 B9R1.12 CCNCC1=CC=CO1 MCULE-8195982909 [0,1,0,1,0,0|0,0,2]=4 964 B9R1.12 CCOCC1=CC=CO1 MCULE-8494437339 [0,1,0,1,0,0|0,0,2]=4 965 B9R1.12 NCCCC1=CC=CO1 MCULE-4394623871 [0,1,0,1,0,0|0,0,2]=4 966 B9R1.12 NCCCC1=CC=CO1 MCULE-5358450816 [0,1,0,1,0,0|0,0,2]=4 967 B9R1.12 NCCCC1=CC=CO1 MCULE-8968283783 [0,1,0,1,0,0|0,0,2]=4 968 B9R1.12 OCC=CC1=CC=CS1 MCULE-7126809926 [0,1,0,1,0,0|0,0,2]=4 969 B9R1.12 OCCCC1=CC=CO1 MCULE-9519443667 [0,1,0,1,0,0|0,0,2]=4 970 B9R1.15 CC1=C(C=CC=C1)CBr MCULE-1019818041 [0,1,0,1,0,0|1,0,1]=4 971 B9R1.15 CC1=C(C=CC=C1)CCl MCULE-2014896403 [0,1,0,1,0,0|1,0,1]=4 972 B9R1.15 CC1=C(C=CC=C1)CN MCULE-4148160003 [0,1,0,1,0,0|1,0,1]=4 973 B9R1.15 CC1=C(C=CC=C1)CN MCULE-4752664231 [0,1,0,1,0,0|1,0,1]=4 974 B9R1.15 CC1=C(C=CC=C1)CS MCULE-5289759336 [0,1,0,1,0,0|0,1,1]=4 975 B9R1.15 CC1=C(C=CC=C1)NO MCULE-8098891928 [0,1,0,1,0,0|0,0,2]=4 976 B9R1.15 CC1=C(C=CC=C1)[NH2+]O MCULE-6743331373 [0,1,0,1,0,0|0,0,2]=4 977 B9R1.15 CC1=C(C=CC=N1)CO MCULE-6993107757 [0,1,0,1,0,0|0,0,1]=3 978 B9R1.15 CC1=C(C=CN=C1)CBr MCULE-5820810101 [0,1,0,1,0,0|1,0,1]=4 979 B9R1.15 CC1=C(C=CN=C1)CBr MCULE-8616509522 [0,1,0,1,0,0|1,0,1]=4 980 B9R1.15 CC1=C(C=CN=C1)CCl MCULE-7487469513 [0,1,0,1,0,0|1,0,1]=4 981 B9R1.15 CC1=C(C=CN=C1)CCl MCULE-7693923614 [0,1,0,1,0,0|1,0,1]=4 982 B9R1.15 CC1=C(C=CN=C1)CN MCULE-5041720465 [0,1,0,1,0,0|1,0,1]=4 983 B9R1.15 CC1=C(C=CN=C1)CN MCULE-9156044707 [0,1,0,1,0,0|1,0,1]=4 984 B9R1.15 CC1=C(C=CN=C1)CO MCULE-2859234781 [0,1,0,1,0,0|0,0,1]=3 985 B9R1.15 CC1=C(C=NC=C1)CBr MCULE-2066575350 [0,1,0,1,0,0|1,0,1]=4 986 B9R1.15 CC1=C(C=NC=C1)CBr MCULE-5468752571 [0,1,0,1,0,0|1,0,1]=4 987 B9R1.15 CC1=C(C=NC=C1)CCl MCULE-3123139705 [0,1,0,1,0,0|1,0,1]=4 988 B9R1.15 CC1=C(C=NC=C1)CCl MCULE-9450028207 [0,1,0,1,0,0|1,0,1]=4 989 B9R1.15 CC1=C(C=NC=C1)CN MCULE-3436847806 [0,1,0,1,0,0|1,0,1]=4 990 B9R1.15 CC1=C(C=NC=C1)CN MCULE-7231463330 [0,1,0,1,0,0|1,0,1]=4 991 B9R1.15 CC1=C(C=NC=C1)CN MCULE-8202264080 [0,1,0,1,0,0|1,0,1]=4 992 B9R1.15 CC1=C(C=NC=C1)CO MCULE-5512772750 [0,1,0,1,0,0|0,0,1]=3 993 B9R1.15 CC1=C(CCCC1)CO MCULE-8750813787 [0,1,0,1,0,0|0,0,2]=4 994 B9R1.15 CC1=C(N=CC=C1)CBr MCULE-3306415389 [0,1,0,1,0,0|1,0,1]=4 995 B9R1.15 CC1=C(N=CC=C1)CCl MCULE-6804313836 [0,1,0,1,0,0|1,0,1]=4 996 B9R1.15 CC1=C(N=CC=C1)CN MCULE-8964414228 [0,1,0,1,0,0|1,0,1]=4 997 B9R1.15 CC1=C(N=CC=N1)CO MCULE-1679746404 [0,1,0,1,0,0|1,0,1]=4 998 B9R1.15 CC1=CC=CC=C1CO MCULE-9300900311 [0,1,0,1,0,0|0,0,1]=3 999 B9R1.15 CC1=CC=CC=C1ON MCULE-3941899377 [0,1,0,1,0,0|0,0,2]=4 1000 B9R1.15 CC1=CC=CC=C1ON MCULE-6768709058 [0,1,0,1,0,0|0,0,2]=4 1001 B9R1.15 CC1=CC=CN=C1CBr MCULE-6792003317 [0,1,0,1,0,0|1,0,1]=4 1002 B9R1.15 CC1=CC=CN=C1CBr MCULE-9970233664 [0,1,0,1,0,0|1,0,1]=4 1003 B9R1.15 CC1=CC=CN=C1CCl MCULE-3501111578 [0,1,0,1,0,0|1,0,1]=4 1004 B9R1.15 CC1=CC=CN=C1CN MCULE-6357054279 [0,1,0,1,0,0|1,0,1]=4 1005 B9R1.15 CC1=CC=CN=C1CN MCULE-9525631810 [0,1,0,1,0,0|1,0,1]=4 1006 B9R1.15 CC1=CC=CN=C1CO MCULE-2372569265 [0,1,0,1,0,0|0,0,1]=3 1007 B9R1.15 CC1=CC=CN=C1CO MCULE-5212191980 [0,1,0,1,0,0|0,0,1]=3 1008 B9R1.15 CC1=NC=CC=C1CBr MCULE-1823820949 [0,1,0,1,0,0|1,0,1]=4 1009 B9R1.15 CC1=NC=CC=C1CBr MCULE-5986744708 [0,1,0,1,0,0|1,0,1]=4 1010 B9R1.15 CC1=NC=CC=C1CCl MCULE-2999926585 [0,1,0,1,0,0|1,0,1]=4 1011 B9R1.15 CC1=NC=CC=C1CCl MCULE-7047721052 [0,1,0,1,0,0|1,0,1]=4 1012 B9R1.15 CC1=NC=CC=C1CN MCULE-2799705272 [0,1,0,1,0,0|1,0,1]=4 1013 B9R1.15 CC1=NC=CC=C1CN MCULE-7012899658 [0,1,0,1,0,0|1,0,1]=4 1014 B9R1.15 CC1=NC=CC=C1CN MCULE-7109781109 [0,1,0,1,0,0|1,0,1]=4 1015 B9R1.15 CC1=NC=NC=C1CO MCULE-7526453757 [0,1,0,1,0,0|1,0,1]=4 1016 B9R1.15 CC1=NN=CC=C1CO MCULE-5506135785 [0,1,0,1,0,0|1,0,1]=4 1017 B9R1.15 CC1CC=CCC1CO MCULE-7534551137 [0,1,0,1,0,0|0,0,2]=4 1018 B9R1.15 CCC1=C(C=CC=C1)Br MCULE-4771140566 [0,1,0,1,0,0|1,0,1]=4 1019 B9R1.15 CCC1=C(C=CC=C1)F MCULE-1752244285 [0,1,0,1,0,0|1,0,1]=4 1020 B9R1.15 CCC1=C(C=CC=C1)I MCULE-5972538763 [0,1,0,1,0,0|1,0,1]=4 1021 B9R1.15 CCC1=C(C=CC=C1)N MCULE-2488060018 [0,1,0,1,0,0|1,0,1]=4 1022 B9R1.15 CCC1=C(C=CC=C1)O MCULE-1491819809 [0,1,0,1,0,0|0,0,1]=3 1023 B9R1.15 CCC1=C(C=CC=C1)S MCULE-7704184327 [0,1,0,1,0,0|0,1,1]=4 1024 B9R1.15 CCC1=C(C=CC=N1)F MCULE-6095604013 [0,1,0,1,0,0|1,0,1]=4 1025 B9R1.15 CCC1=C(C=CC=N1)O MCULE-2219354339 [0,1,0,1,0,0|0,0,1]=3 1026 B9R1.15 CCC1=C(C=CC=N1)O MCULE-8924919703 [0,1,0,1,0,0|0,0,1]=3 1027 B9R1.15 CCC1=C(C=CN=C1)Br MCULE-1012084981 [0,1,0,1,0,0|1,0,1]=4 1028 B9R1.15 CCC1=C(C=CN=C1)Br MCULE-1148298331 [0,1,0,1,0,0|1,0,1]=4 1029 B9R1.15 CCC1=C(C=CN=C1)Br MCULE-4253904308 [0,1,0,1,0,0|1,0,1]=4 1030 B9R1.15 CCC1=C(C=CN=C1)C MCULE-2210494576 [0,1,0,1,0,0|1,0,1]=4 1031 B9R1.15 CCC1=C(C=CN=C1)O MCULE-5299269593 [0,1,0,1,0,0|0,0,1]=3 1032 B9R1.15 CCC1=C(C=NC=C1)Br MCULE-2654597890 [0,1,0,1,0,0|1,0,1]=4 1033 B9R1.15 CCC1=C(C=NC=C1)C MCULE-1828800295 [0,1,0,1,0,0|1,0,1]=4 1034 B9R1.15 CCC1=C(C=NC=C1)F MCULE-3500553160 [0,1,0,1,0,0|1,0,1]=4 1035 B9R1.15 CCC1=C(C=NC=C1)N MCULE-2535659878 [0,1,0,1,0,0|1,0,1]=4 1036 B9R1.15 CCC1=C(C=NC=C1)O MCULE-5778949169 [0,1,0,1,0,0|0,0,1]=3 1037 B9R1.15 CCC1=C(N=CC=C1)N MCULE-3065792210 [0,1,0,1,0,0|1,0,1]=4 1038 B9R1.15 CCC1=C(N=CC=C1)O MCULE-6218225285 [0,1,0,1,0,0|0,0,1]=3 1039 B9R1.15 CCC1=CC=CC=C1C MCULE-7161910991 [0,1,0,1,0,0|1,0,1]=4 1040 B9R1.15 CCC1=CC=CC=C1Cl MCULE-7037352216 [0,1,0,1,0,0|1,0,1]=4 1041 B9R1.15 CCC1=CC=CC=[N+]1[O-] MCULE-8472299295 [0,1,0,1,0,0|0,0,2]=4 1042 B9R1.15 CCC1=CC=CN=C1Br MCULE-2422382471 [0,1,0,1,0,0|1,0,1]=4 1043 B9R1.15 CCC1=CC=CN=C1C MCULE-1642513220 [0,1,0,1,0,0|1,0,1]=4 1044 B9R1.15 CCC1=CC=CN=C1Cl MCULE-2440516714 [0,1,0,1,0,0|1,0,1]=4 1045 B9R1.15 CCC1=CC=CN=C1N MCULE-6881075468 [0,1,0,1,0,0|1,0,1]=4 1046 B9R1.15 CCC1=CN=CN=C1O MCULE-8570023813 [0,1,0,1,0,0|1,0,1]=4 1047 B9R1.15 CCC1=CNC=CC1=N MCULE-4369312143 [0,1,0,1,0,0|1,0,1]=4 1048 B9R1.15 CCC1=CNC=CC1=N MCULE-6638043090 [0,1,0,1,0,0|1,0,1]=4 1049 B9R1.15 CCC1=NC=CC=C1Br MCULE-3325156249 [0,1,0,1,0,0|1,0,1]=4 1050 B9R1.15 CCC1=NC=CC=C1N MCULE-1962176909 [0,1,0,1,0,0|1,0,1]=4 1051 B9R1.15 CC[N+]1=C(C=CC=C1)Br MCULE-2691416012 [0,1,0,1,0,0|1,0,1]=4 1052 B9R1.15 CC[N+]1=C(C=CC=C1)Br MCULE-5065510428 [0,1,0,1,0,0|1,0,1]=4 1053 B9R1.15 CC[N+]1=C(C=CC=C1)C MCULE-5318999528 [0,1,0,1,0,0|1,0,1]=4 1054 B9R1.15 CC[N+]1=C(C=CC=C1)C MCULE-5725151605 [0,1,0,1,0,0|1,0,1]=4 1055 B9R1.15 CC[N+]1=C(C=CC=C1)F MCULE-9414862334 [0,1,0,1,0,0|1,0,1]=4 1056 B9R1.15 CC[N+]1=C(C=CC=C1)F MCULE-9510435342 [0,1,0,1,0,0|1,0,1]=4 1057 B9R1.15 CC[N+]1=C(C=CC=C1)N MCULE-6461390242 [0,1,0,1,0,0|1,0,1]=4 1058 B9R1.15 CC[N+]1=C(C=CC=C1)N MCULE-6741830384 [0,1,0,1,0,0|1,0,1]=4 1059 B9R1.15 CC[N+]1=CC=CC=C1Cl MCULE-2548218550 [0,1,0,1,0,0|1,0,1]=4 1060 B9R1.15 CC[N+]1=CC=CC=C1Cl MCULE-3015032920 [0,1,0,1,0,0|1,0,1]=4 1061 B9R1.15 CNC1=C(C=CC=C1)O MCULE-2489152932 [0,1,0,1,0,0|0,0,2]=4 1062 B9R1.15 COC1=C(C=CC=C1)C MCULE-1334713003 [0,1,0,1,0,0|0,0,2]=4 1063 B9R1.15 COC1=C(C=CC=C1)O MCULE-5627336368 [0,1,0,1,0,0|0,0,2]=4 1064 B9R1.15 COC1=C(C=CC=N1)O MCULE-9603904526 [0,1,0,1,0,0|1,0,1]=4 1065 B9R1.15 COC1=C(C=CN=C1)O MCULE-1314698497 [0,1,0,1,0,0|1,0,1]=4 1066 B9R1.15 COC1=C(C=NC=C1)O MCULE-3693221163 [0,1,0,1,0,0|1,0,1]=4 1067 B9R1.15 CSC1=C(C=CC=C1)O MCULE-9222201272 [0,1,0,1,0,0|0,0,2]=4 1068 B9R1.15 C[N+]1=CC=CC=C1CO MCULE-7091290655 [0,1,0,1,0,0|0,0,1]=3 1069 B9R1.15 C[N+]1=CC=CC=C1CO MCULE-8321763532 [0,1,0,1,0,0|0,0,1]=3 1070 B9R1.15 NC1=C(C=CC=N1)CO MCULE-5754893399 [0,1,0,1,0,0|1,0,1]=4 1071 B9R1.15 NC1=C(C=NC=C1)CO MCULE-6958548980 [0,1,0,1,0,0|1,0,1]=4 1072 B9R1.15 NC1=CC=CC=C1CO MCULE-3846662405 [0,1,0,1,0,0|0,0,2]=4 1073 B9R1.15 NC1=CC=CN=C1CO MCULE-6615654839 [0,1,0,1,0,0|1,0,1]=4 1074 B9R1.15 NC1=CN=CC=C1CO MCULE-7295117790 [0,1,0,1,0,0|1,0,1]=4 1075 B9R1.15 NC1CC=CCC1CO MCULE-6021579782 [0,1,0,1,0,0|0,0,2]=4 1076 B9R1.15 NC1CC=CCC1CO MCULE-9027602175 [0,1,0,1,0,0|0,0,2]=4 1077 B9R1.15 NCC1=C(C=CC=C1)O MCULE-1465654134 [0,1,0,1,0,0|0,0,2]=4 1078 B9R1.15 NCC1=C(C=CC=C1)O MCULE-1875598424 [0,1,0,1,0,0|0,0,2]=4 1079 B9R1.15 NCC1=C(C=CC=N1)O MCULE-3110814493 [0,1,0,1,0,0|1,0,1]=4 1080 B9R1.15 NCC1=C(C=NC=C1)O MCULE-1920536014 [0,1,0,1,0,0|1,0,1]=4 1081 B9R1.15 NCC1=C(N=CC=C1)O MCULE-1721762153 [0,1,0,1,0,0|1,0,1]=4 1082 B9R1.15 NCC1=C(N=CC=C1)O MCULE-8208758751 [0,1,0,1,0,0|1,0,1]=4 1083 B9R1.15 NCC1=CC=CC=C1O MCULE-6219632884 [0,1,0,1,0,0|0,0,2]=4 1084 B9R1.15 NCC1=CC=CN=C1O MCULE-1993409732 [0,1,0,1,0,0|1,0,1]=4 1085 B9R1.15 O=C1NC=CC=C1CO MCULE-9196302433 [0,1,0,1,0,0|1,0,1]=4 1086 B9R1.15 OC1=C(N=CC=C1)CBr MCULE-7465012583 [0,1,0,1,0,0|1,0,1]=4 1087 B9R1.15 OC1=C(N=CC=C1)CBr MCULE-8251195466 [0,1,0,1,0,0|1,0,1]=4 1088 B9R1.15 OC1=C(N=CC=C1)CCl MCULE-2295552482 [0,1,0,1,0,0|1,0,1]=4 1089 B9R1.15 OC1=C(N=CC=C1)CCl MCULE-8820401190 [0,1,0,1,0,0|1,0,1]=4 1090 B9R1.15 OCC1=C(C=CC=C1)Cl MCULE-4761354106 [0,1,0,1,0,0|0,0,2]=4 1091 B9R1.15 OCC1=C(C=CC=C1)F MCULE-3052442849 [0,1,0,1,0,0|0,0,2]=4 1092 B9R1.15 OCC1=C(C=CC=C1)I MCULE-2531846971 [0,1,0,1,0,0|0,0,2]=4 1093 B9R1.15 OCC1=C(C=CC=C1)O MCULE-6070464733 [0,1,0,1,0,0|0,0,2]=4 1094 B9R1.15 OCC1=C(C=CC=N1)Br MCULE-5669699006 [0,1,0,1,0,0|1,0,1]=4 1095 B9R1.15 OCC1=C(C=CN=C1)Br MCULE-9048514405 [0,1,0,1,0,0|1,0,1]=4 1096 B9R1.15 OCC1=C(C=CN=C1)Br MCULE-9609065264 [0,1,0,1,0,0|1,0,1]=4 1097 B9R1.15 OCC1=C(C=CN=C1)Br MCULE-9938086327 [0,1,0,1,0,0|1,0,1]=4 1098 B9R1.15 OCC1=C(C=CN=C1)Cl MCULE-2145056166 [0,1,0,1,0,0|1,0,1]=4 1099 B9R1.15 OCC1=C(C=CN=C1)Cl MCULE-3412890223 [0,1,0,1,0,0|1,0,1]=4 1100 B9R1.15 OCC1=C(C=NC=C1)Br MCULE-3735879696 [0,1,0,1,0,0|1,0,1]=4 1101 B9R1.15 OCC1=C(C=NC=C1)Cl MCULE-2467504088 [0,1,0,1,0,0|1,0,1]=4 1102 B9R1.15 OCC1=C(C=NC=C1)F MCULE-2007061586 [0,1,0,1,0,0|1,0,1]=4 1103 B9R1.15 OCC1=C(C=NC=C1)O MCULE-5930038750 [0,1,0,1,0,0|1,0,1]=4 1104 B9R1.15 OCC1=C(CCCC1)Br MCULE-6936960603 [0,1,0,1,0,0|0,0,2]=4 1105 B9R1.15 OCC1=C(N=CC=C1)Cl MCULE-4687022345 [0,1,0,1,0,0|1,0,1]=4 1106 B9R1.15 OCC1=CC=CC=C1Br MCULE-2277207125 [0,1,0,1,0,0|0,0,2]=4 1107 B9R1.15 OCC1=CC=CC=C1Br MCULE-2784222900 [0,1,0,1,0,0|0,0,2]=4 1108 B9R1.15 OCC1=CC=CC=C1S MCULE-8947049784 [0,1,0,1,0,0|0,0,2]=4 1109 B9R1.15 OCC1=CC=CN=C1Br MCULE-9387583588 [0,1,0,1,0,0|1,0,1]=4 1110 B9R1.15 OCC1=CC=CN=C1F MCULE-6116637531 [0,1,0,1,0,0|1,0,1]=4 1111 B9R1.15 OCC1=CN=CC=C1F MCULE-2362902914 [0,1,0,1,0,0|1,0,1]=4 1112 B9R1.15 OCC1=CN=CC=C1F MCULE-5865449163 [0,1,0,1,0,0|1,0,1]=4 1113 B9R1.15 OCC1=NC=CC=C1Cl MCULE-9022458499 [0,1,0,1,0,0|1,0,1]=4 1114 B9R1.15 OCC1=NC=CC=C1F MCULE-8712405676 [0,1,0,1,0,0|1,0,1]=4 1115 B9R1.15 OCC1=NC=CC=C1I MCULE-4759825528 [0,1,0,1,0,0|1,0,1]=4 1116 B9R1.15 OCC1=NC=CC=C1O MCULE-5194043473 [0,1,0,1,0,0|1,0,1]=4 1117 B9R1.15 OCC1=NC=CC=C1O MCULE-7424772680 [0,1,0,1,0,0|1,0,1]=4 1118 B9R1.15 OCC1=NN=CC=C1O MCULE-8004878122 [0,1,0,1,0,0|2,0,0]=4 1119 B9R1.15 OC[C@H]1OCC=C[C@@H]1O MCULE-3248185970 [0,1,0,1,0,0|1,0,1]=4 1120 B9R1.22 CC1=CC(=C(O1)C)CO MCULE-1997957186 [0,1,0,1,0,0|1,0,1]=4 1121 B9R1.22 CC1=CC(=C(S1)C)CO MCULE-3470465755 [0,1,0,1,0,0|1,0,1]=4 1122 B9R1.22 CC1=CN(C(=N1)CO)C MCULE-4378916343 [0,1,0,1,0,0|2,0,0]=4 1123 B9R1.22 CC1=NN(C(=C1)CO)C MCULE-7876600922 [0,1,0,1,0,0|2,0,0]=4 1124 B9R1.22 CN1C=C(N=C1CO)Br MCULE-6121861445 [0,1,0,1,0,0|2,0,0]=4 1125 B9R1.22 CN1N=C(C=C1CO)I MCULE-2550411991 [0,1,0,1,0,0|2,0,0]=4 1126 B9R1.22 CN1N=C(C=C1CO)N MCULE-9637582581 [0,1,0,1,0,0|2,0,0]=4 1127 B9R1.27 CC1=C(N(N=C1)C)CO MCULE-8712382559 [0,1,0,1,0,0|2,0,0]=4 1128 B9R1.27 CC1=COC(=C1CO)C MCULE-1567199272 [0,1,0,1,0,0|1,0,1]=4 1129 B9R1.27 CN1C=NC(=C1CO)Br MCULE-2901608453 [0,1,0,1,0,0|2,0,0]=4 1130 B9R1.27 CN1N=CC(=C1CO)Br MCULE-6576973550 [0,1,0,1,0,0|2,0,0]=4 1131 B9R1.27 CN1N=CC(=C1CO)Cl MCULE-4742365046 [0,1,0,1,0,0|2,0,0]=4 1132 B9R1.27 CN1N=CC(=C1CO)F MCULE-9006277350 [0,1,0,1,0,0|2,0,0]=4 1133 B9R1.27 CN1N=CC(=C1CO)I MCULE-3424012169 [0,1,0,1,0,0|2,0,0]=4 1134 B9R1.33 CC1=C(SC=C1)/C=N/O MCULE-8212605733 [0,1,0,1,0,0|1,0,1]=4 1135 B9R1.33 CC1=C(SC=C1)C=NO MCULE-5467608194 [0,1,0,1,0,0|1,0,1]=4 1136 B9R1.33 CC1=C(SC=C1)CCO MCULE-6761828678 [0,1,0,1,0,0|0,0,2]=4 1137 B9R1.33 CC1=CC=CN1CCO MCULE-6284632361 [0,1,0,1,0,0|0,0,2]=4 1138 B9R1.33 CN1C=CC=C1/C=N/O MCULE-6521349080 [0,1,0,1,0,0|1,0,1]=4 1139 B9R1.33 CN1C=CC=C1C=NO MCULE-3072799043 [0,1,0,1,0,0|1,0,1]=4 1140 B9R1.33 CN1C=CC=C1CC#N MCULE-3453794381 [0,1,0,1,0,0|2,0,0]=4 1141 B9R1.33 CN1C=CC=C1CCN MCULE-2377635902 [0,1,0,1,0,0|2,0,0]=4 1142 B9R1.33 CN1C=CC=C1CCO MCULE-3054175221 [0,1,0,1,0,0|1,0,0]=3 1143 B9R1.33 CN1C=CN=C1C=NO MCULE-9015201802 [0,1,0,1,0,0|2,0,0]=4 1144 B9R1.33 CN1C=CN=C1CCO MCULE-8771272000 [0,1,0,1,0,0|1,0,1]=4 1145 B9R1.33 CN1C=NC=C1C=NO MCULE-8203361693 [0,1,0,1,0,0|2,0,0]=4 1146 B9R1.33 CN1C=NC=C1CCO MCULE-2808161256 [0,1,0,1,0,0|1,0,1]=4 1147 B9R1.33 CN1N=CC=C1CCO MCULE-6821067420 [0,1,0,1,0,0|1,0,1]=4 1148 B9R1.33 CNCC1=CC=CN1C MCULE-9781046168 [0,1,0,1,0,0|2,0,0]=4 1149 B9R1.33 COCC1=CC=NN1C MCULE-5825522308 [0,1,0,1,0,0|2,0,0]=4 1150 B9R1.33 N(C)CC1=CC=CN1C MCULE-6962332906 [0,1,0,1,0,0|2,0,0]=4 1151 B9R1.50 O=C1C=CCCCCC1 MCULE-8923461119 [0,1,0,1,0,0|1,0,1]=4 1152 B9R1.50 OC1C=CCCCCC1 MCULE-1181214133 [0,1,0,1,0,0|0,0,2]=4 1153 B9R1.50 OC1CCC=CCCC1 MCULE-1736825337 [0,1,0,1,0,0|0,0,2]=4 1154 B9R1.50 OC1CCC=CCCC1 MCULE-6297988885 [0,1,0,1,0,0|0,0,2]=4 1155 B9R1.50 O[C@@H]1CCC=CCCC1 MCULE-2143953157 [0,1,0,1,0,0|0,0,2]=4 1156 B9R1.50 O[C@H]1CCC=CCCC1 MCULE-9747750449 [0,1,0,1,0,0|0,0,2]=4 1157 B9R1.69 CC1=C(C=C(C=C1)Br)O MCULE-2828729187 [0,1,0,1,0,0|0,0,2]=4 1158 B9R1.69 CC1=C(C=C(C=C1)Cl)O MCULE-1177104363 [0,1,0,1,0,0|0,0,2]=4 1159 B9R1.69 CC1=C(C=C(C=C1)F)O MCULE-6942849515 [0,1,0,1,0,0|0,0,2]=4 1160 B9R1.69 CC1=C(C=C(C=C1)I)O MCULE-2773115387 [0,1,0,1,0,0|0,0,2]=4 1161 B9R1.69 CC1=C(C=C(C=C1)N)O MCULE-5197001608 [0,1,0,1,0,0|0,0,2]=4 1162 B9R1.69 CC1=C(C=C(C=C1)N)O MCULE-8172475269 [0,1,0,1,0,0|0,0,2]=4 1163 B9R1.69 CC1=C(C=C(C=C1)O)O MCULE-2408715752 [0,1,0,1,0,0|0,0,2]=4 1164 B9R1.69 CC1=C(C=CC(=C1)Br)O MCULE-6725792437 [0,1,0,1,0,0|0,0,2]=4 1165 B9R1.69 CC1=C(C=CC(=C1)Cl)O MCULE-5116771906 [0,1,0,1,0,0|0,0,2]=4 1166 B9R1.69 CC1=C(C=CC(=C1)F)O MCULE-9842882305 [0,1,0,1,0,0|0,0,2]=4 1167 B9R1.69 CC1=C(C=CC(=C1)O)O MCULE-7035325950 [0,1,0,1,0,0|0,0,2]=4 1168 B9R1.69 CC1=CC(=C(C=C1)O)C MCULE-2639440236 [0,1,0,1,0,0|0,0,2]=4 1169 B9R1.69 CC1=CC(=CC=C1O)I MCULE-7461663271 [0,1,0,1,0,0|0,0,2]=4 1170 B9R1.69 CC1=CC(=CC=C1O)N MCULE-8949864692 [0,1,0,1,0,0|0,0,2]=4 1171 B9R1.69 CC1=CC(=CC=C1O)N MCULE-9848828222 [0,1,0,1,0,0|0,0,2]=4 1172 B9R1.69 CC1=CC(=CC=C1O)S MCULE-6500413930 [0,1,0,1,0,0|0,0,2]=4 1173 B9R1.69 CC1=CC=C(C(=C1)O)C MCULE-5717907162 [0,1,0,1,0,0|0,0,2]=4 1174 B9R1.69 CC1=CC=C(C=C1O)N MCULE-6328468082 [0,1,0,1,0,0|0,0,2]=4 1175 B9R1.75 CCOC(=O)C=C1CC1 MCULE-5440757168 [0,1,0,1,0,0|2,0,0]=4 1176 B9R1.14 BrCC1=C(SC=C1)CBr MCULE-7962898908 [0,1,0,1,0,0|2,0,0]=4 1177 B9R1.14 C=CN1C=CC=C1CO MCULE-5011828416 [0,1,0,1,0,0|0,0,2]=4 1178 B9R1.14 CCC1=C(SC=C1)CN MCULE-6870628002 [0,1,0,1,0,0|1,0,0]=3 1179 B9R1.14 CCC1=CC=NN1CC MCULE-9680838155 [0,1,0,1,0,0|2,0,0]=4 1180 B9R1.14 CCC1=CNC=C1CC MCULE-2901063039 [0,1,0,1,0,0|1,0,0]=3 1181 B9R1.14 CCC1=CSC=C1C#N MCULE-7112961656 [0,1,0,1,0,0|1,0,1]=4 1182 B9R1.14 CCC1=NOC=C1CCl MCULE-4413458725 [0,1,0,1,0,0|2,0,0]=4 1183 B9R1.14 CCN1C=CC=C1C#N MCULE-1369523917 [0,1,0,1,0,0|1,0,1]=4 1184 B9R1.14 CCN1C=CC=C1C=O MCULE-8123073528 [0,1,0,1,0,0|0,0,2]=4 1185 B9R1.14 CCN1C=CC=C1CS MCULE-8369116586 [0,1,0,1,0,0|0,1,0]=3 1186 B9R1.14 CCN1C=CN=C1CBr MCULE-5100853540 [0,1,0,1,0,0|2,0,0]=4 1187 B9R1.14 CCN1C=CN=C1CBr MCULE-7009878854 [0,1,0,1,0,0|2,0,0]=4 1188 B9R1.14 CCN1C=CN=C1CCl MCULE-1750997857 [0,1,0,1,0,0|2,0,0]=4 1189 B9R1.14 CCN1C=CN=C1CCl MCULE-5386067677 [0,1,0,1,0,0|2,0,0]=4 1190 B9R1.14 CCN1C=CN=C1CN MCULE-1184575082 [0,1,0,1,0,0|2,0,0]=4 1191 B9R1.14 CCN1C=CN=C1CN MCULE-7396928993 [0,1,0,1,0,0|2,0,0]=4 1192 B9R1.14 CCN1C=CN=C1CO MCULE-3695393720 [0,1,0,1,0,0|1,0,0]=3 1193 B9R1.14 CCN1C=NC=C1CCl MCULE-4363599377 [0,1,0,1,0,0|2,0,0]=4 1194 B9R1.14 CCN1C=NC=C1CCl MCULE-8517378307 [0,1,0,1,0,0|2,0,0]=4 1195 B9R1.14 CCN1C=NC=C1CN MCULE-2872011749 [0,1,0,1,0,0|2,0,0]=4 1196 B9R1.14 CCN1C=NC=C1CN MCULE-7697819520 [0,1,0,1,0,0|2,0,0]=4 1197 B9R1.14 CCN1C=NC=C1CO MCULE-2117952932 [0,1,0,1,0,0|1,0,0]=3 1198 B9R1.14 CCN1C=NC=C1CO MCULE-8555304978 [0,1,0,1,0,0|1,0,0]=3 1199 B9R1.14 CCN1N=CC=C1CCl MCULE-2001370477 [0,1,0,1,0,0|2,0,0]=4 1200 B9R1.14 CCN1N=CC=C1CCl MCULE-5768597801 [0,1,0,1,0,0|2,0,0]=4 1201 B9R1.14 CCN1N=CC=C1CN MCULE-4158399344 [0,1,0,1,0,0|2,0,0]=4 1202 B9R1.14 CCN1N=CC=C1CN MCULE-7188734171 [0,1,0,1,0,0|2,0,0]=4 1203 B9R1.14 CCN1N=CC=C1CO MCULE-3181317210 [0,1,0,1,0,0|1,0,0]=3 1204 B9R1.14 CCN1N=CN=C1CO MCULE-6407793410 [0,1,0,1,0,0|2,0,0]=4 1205 B9R1.14 CCN1N=NC=C1CO MCULE-7730108230 [0,1,0,1,0,0|2,0,0]=4 1206 B9R1.14 COC1=C(SC=C1)CN MCULE-5256237652 [0,1,0,1,0,0|2,0,0]=4 1207 B9R1.14 COC1=C(SC=C1)CO MCULE-3230949557 [0,1,0,1,0,0|1,0,0]=3 1208 B9R1.14 COC1=CSC=C1CN MCULE-4951023845 [0,1,0,1,0,0|2,0,0]=4 1209 B9R1.14 ClCC1=CSC=C1CCl MCULE-3788961049 [0,1,0,1,0,0|2,0,0]=4 1210 B9R1.14 N#CC1=C(SC=C1)CO MCULE-3279573144 [0,1,0,1,0,0|1,0,1]=4 1211 B9R1.14 NCC1=C(SC=C1)CO MCULE-2522473735 [0,1,0,1,0,0|1,0,0]=3 1212 B9R1.14 O=CC1=COC=C1CO MCULE-2666772903 [0,1,0,1,0,0|1,0,1]=4 1213 B9R1.14 OCC1=C(NC=N1)CO MCULE-3627217873 [0,1,0,1,0,0|2,0,0]=4 1214 B9R1.14 OCC1=C(SC=C1)CO MCULE-2694296246 [0,1,0,1,0,0|1,0,0]=3 1215 B9R1.14 OCC1=C(SC=N1)CO MCULE-4560070066 [0,1,0,1,0,0|2,0,0]=4 1216 B9R1.14 OCC1=C(SC=N1)CO MCULE-7526324335 [0,1,0,1,0,0|2,0,0]=4 1217 B9R1.14 OCC1=COC=C1CO MCULE-8366183068 [0,1,0,1,0,0|1,0,0]=3 1218 B9R1.14 OCC1=CSC=C1CO MCULE-1141422534 [0,1,0,1,0,0|1,0,0]=3 1219 B9R1.89 OCC1CCC=CCC1 MCULE-1974756879 [0,1,0,1,0,0|0,0,2]=4 1220 B9R1.103 C1=CCC=CCC=CC1 MCULE-5952570107 [0,1,0,1,0,0|1,0,1]=4 1221 B9R1.1 CC1=CC=C(C=C1)CO MCULE-5810522404 [0,1,0,1,0,0|0,0,2]=4 1222 B9R1.1 CC1=CC=C(C=N1)CO MCULE-1564292158 [0,1,0,1,0,0|1,0,1]=4 1223 B9R1.1 CC1=CC=C(C=N1)CO MCULE-4974360920 [0,1,0,1,0,0|1,0,1]=4 1224 B9R1.1 CC1=CCC(=CC1)CO MCULE-7402387941 [0,1,0,1,0,0|0,0,2]=4 1225 B9R1.1 CC1=CCC(CC1)CO MCULE-6377131123 [0,1,0,1,0,0|0,0,2]=4 1226 B9R1.1 CC1=CN=C(C=C1)CO MCULE-5535646576 [0,1,0,1,0,0|1,0,1]=4 1227 B9R1.1 CC1=NN=C(C=C1)CO MCULE-8224975927 [0,1,0,1,0,0|2,0,0]=4 1228 B9R1.1 CCC1=CC=C(C=C1)Br MCULE-1942919084 [0,1,0,1,0,0|1,0,1]=4 1229 B9R1.1 CCC1=CC=C(C=C1)C MCULE-9537190030 [0,1,0,1,0,0|1,0,1]=4 1230 B9R1.1 CCC1=CC=C(C=C1)Cl MCULE-7804688190 [0,1,0,1,0,0|1,0,1]=4 1231 B9R1.1 CCC1=CC=C(C=C1)F MCULE-6539915563 [0,1,0,1,0,0|1,0,1]=4 1232 B9R1.1 CCC1=CC=C(C=C1)I MCULE-2888166962 [0,1,0,1,0,0|1,0,1]=4 1233 B9R1.1 CCC1=CC=C(C=C1)N MCULE-1390459770 [0,1,0,1,0,0|1,0,1]=4 1234 B9R1.1 CCC1=CC=C(C=C1)O MCULE-7755465629 [0,1,0,1,0,0|1,0,1]=4 1235 B9R1.1 CCC1=CC=C(C=C1)S MCULE-1761350085 [0,1,0,1,0,0|1,0,1]=4 1236 B9R1.1 CCC1=CC=C(C=N1)N MCULE-6664523088 [0,1,0,1,0,0|1,0,1]=4 1237 B9R1.1 CCC1=CC=C(C=N1)O MCULE-4559483882 [0,1,0,1,0,0|1,0,1]=4 1238 B9R1.1 CCC1=CC=C(N=C1)C MCULE-4731126872 [0,1,0,1,0,0|2,0,0]=4 1239 B9R1.1 CCC1=CC=C(N=N1)Br MCULE-1824320883 [0,1,0,1,0,0|2,0,0]=4 1240 B9R1.1 CCC1=CC=C(N=N1)Br MCULE-7950643602 [0,1,0,1,0,0|2,0,0]=4 1241 B9R1.1 CCC1=CC=C(N=N1)N MCULE-8616732028 [0,1,0,1,0,0|2,0,0]=4 1242 B9R1.1 CCC1=CC=C(N=N1)O MCULE-8299263067 [0,1,0,1,0,0|2,0,0]=4 1243 B9R1.1 CCC1=CN=C(C=C1)Br MCULE-6391149223 [0,1,0,1,0,0|2,0,0]=4 1244 B9R1.1 CCC1=CN=C(C=C1)Cl MCULE-1414082615 [0,1,0,1,0,0|2,0,0]=4 1245 B9R1.1 CCC1=CN=C(C=C1)Cl MCULE-8887824275 [0,1,0,1,0,0|2,0,0]=4 1246 B9R1.1 CCC1=CN=C(C=C1)N MCULE-9717049580 [0,1,0,1,0,0|2,0,0]=4 1247 B9R1.1 CCC1=CNC(=O)C=C1 MCULE-1841228387 [0,1,0,1,0,0|2,0,0]=4 1248 B9R1.1 CCC1=NC=C(C=C1)Br MCULE-4728732526 [0,1,0,1,0,0|1,0,1]=4 1249 B9R1.1 CCC1=NC=C(C=C1)C MCULE-1900434923 [0,1,0,1,0,0|1,0,1]=4 1250 B9R1.1 CCC1=NC=C(C=C1)Cl MCULE-5919886035 [0,1,0,1,0,0|1,0,1]=4 1251 B9R1.1 CCC1=NN=C(C=C1)Cl MCULE-5303270549 [0,1,0,1,0,0|2,0,0]=4 1252 B9R1.1 CN1CC=C(CC1)CO MCULE-2641317865 [0,1,0,1,0,0|1,0,1]=4 1253 B9R1.1 NC1=CC=C(C=C1)CO MCULE-4808471456 [0,1,0,1,0,0|0,0,2]=4 1254 B9R1.1 NC1=CC=C(C=C1)CO MCULE-7007235735 [0,1,0,1,0,0|0,0,2]=4 1255 B9R1.1 NC1=CC=C(C=N1)CO MCULE-4376508513 [0,1,0,1,0,0|1,0,1]=4 1256 B9R1.1 NC1=CN=C(C=C1)CO MCULE-3128352913 [0,1,0,1,0,0|1,0,1]=4 1257 B9R1.1 NC1=CN=C(C=C1)CO MCULE-8053820974 [0,1,0,1,0,0|1,0,1]=4 1258 B9R1.1 NC1=NN=C(C=C1)CO MCULE-3499014201 [0,1,0,1,0,0|2,0,0]=4 1259 B9R1.1 NC1=NN=C(C=C1)CO MCULE-3871487905 [0,1,0,1,0,0|2,0,0]=4 1260 B9R1.1 OCC1=CC=C(C=C1)Br MCULE-6643975109 [0,1,0,1,0,0|0,0,2]=4 1261 B9R1.1 OCC1=CC=C(C=C1)Cl MCULE-3763727891 [0,1,0,1,0,0|0,0,2]=4 1262 B9R1.1 OCC1=CC=C(C=C1)F MCULE-2292153056 [0,1,0,1,0,0|0,0,2]=4 1263 B9R1.1 OCC1=CC=C(C=C1)I MCULE-7605779199 [0,1,0,1,0,0|0,0,2]=4 1264 B9R1.1 OCC1=CC=C(C=C1)O MCULE-8377025602 [0,1,0,1,0,0|0,0,2]=4 1265 B9R1.1 OCC1=CC=C(C=C1)S MCULE-1348408354 [0,1,0,1,0,0|0,0,2]=4 1266 B9R1.1 OCC1=CC=C(C=N1)I MCULE-5013443077 [0,1,0,1,0,0|1,0,1]=4 1267 B9R1.1 OCC1=CC=C(N=C1)F MCULE-3773005131 [0,1,0,1,0,0|1,0,1]=4 1268 B9R1.1 OCC1=CC=C(N=C1)I MCULE-6368622790 [0,1,0,1,0,0|1,0,1]=4 1269 B9R1.1 OCC1=CC=C(N=C1)O MCULE-2368909464 [0,1,0,1,0,0|1,0,1]=4 1270 B9R1.1 OCC1=CC=C(N=N1)Cl MCULE-4027615812 [0,1,0,1,0,0|2,0,0]=4 1271 B9R1.1 OCC1=CN=C(C=C1)Br MCULE-8078606376 [0,1,0,1,0,0|1,0,1]=4 1272 B9R1.1 OCC1=CN=C(C=C1)Cl MCULE-4227357861 [0,1,0,1,0,0|1,0,1]=4 1273 B9R1.1 OCC1=NC=C(C=C1)Br MCULE-3810125098 [0,1,0,1,0,0|1,0,1]=4 1274 B9R1.1 OCC1=NC=C(C=C1)Cl MCULE-5171582170 [0,1,0,1,0,0|1,0,1]=4 1275 B9R1.1 OCC1=NC=C(C=C1)F MCULE-2708010566 [0,1,0,1,0,0|1,0,1]=4 1276 B9R1.1 OCC1=NC=C(C=C1)F MCULE-6239716789 [0,1,0,1,0,0|1,0,1]=4 1277 B9R1.1 OCC1=NC=C(C=C1)O MCULE-1938065199 [0,1,0,1,0,0|1,0,1]=4 1278 B9R1.1 OCC1=NN=C(C=C1)O MCULE-9072809673 [0,1,0,1,0,0|2,0,0]=4 1279 B9R1.3 CC1=C(C(=CC=C1)Cl)O MCULE-4829448986 [0,1,0,1,0,0|0,0,2]=4 1280 B9R1.3 CC1=C(C(=CC=C1)F)O MCULE-7296035725 [0,1,0,1,0,0|0,0,2]=4 1281 B9R1.3 CC1=C(C(=CC=C1)N)O MCULE-2906969947 [0,1,0,1,0,0|0,0,2]=4 1282 B9R1.3 CC1=C(C(=CC=C1)O)O MCULE-5410704360 [0,1,0,1,0,0|0,0,2]=4 1283 B9R1.3 CC1=C(C=CC=C1Br)O MCULE-2144897092 [0,1,0,1,0,0|0,0,2]=4 1284 B9R1.3 CC1=C(C=CC=C1Cl)O MCULE-4377061197 [0,1,0,1,0,0|0,0,2]=4 1285 B9R1.3 CC1=C(C=CC=C1N)O MCULE-7479285510 [0,1,0,1,0,0|0,0,2]=4 1286 B9R1.3 CC1=C(C=CC=C1O)F MCULE-9250613722 [0,1,0,1,0,0|0,0,2]=4 1287 B9R1.3 CC1=C(C=CC=C1O)O MCULE-4309987405 [0,1,0,1,0,0|0,0,2]=4 1288 B9R1.3 CC1=CC=CC(=C1C)O MCULE-9434748426 [0,1,0,1,0,0|0,0,2]=4 1289 B9R1.3 CC1=CC=CC(=C1O)Br MCULE-6393358949 [0,1,0,1,0,0|0,0,2]=4 1290 B9R1.3 CC1=CC=CC(=C1O)C MCULE-7812557858 [0,1,0,1,0,0|0,0,2]=4 1291 B9R1.3 CC1=CC=CC(=C1O)N MCULE-5934292235 [0,1,0,1,0,0|0,0,2]=4 1292 B9R1.3 CC1=NC=CC(=O)C1O MCULE-8072640255 [0,1,0,1,0,0|1,0,1]=4 1293 B9R1.3 OC1C=CC=C(C1O)I MCULE-3645968416 [0,1,0,1,0,0|1,0,0]=3 1294 B9R1.3 O[C@H]1C=CC=C([C@H]1O)Br MCULE-1685616060 [0,1,0,1,0,0|1,0,0]=3 1295 B9R1.3 O[C@H]1C=CC=C([C@H]1O)Br MCULE-5652276563 [0,1,0,1,0,0|1,0,0]=3 1296 B9R1.3 O[C@H]1C=CC=C([C@H]1O)Br MCULE-7242611949 [0,1,0,1,0,0|1,0,0]=3 1297 B9R1.11 CCC(=O)C1=CC=CN1 MCULE-8551092494 [0,1,0,1,0,0|1,0,1]=4 1298 B9R1.11 CCC(=O)C1=CC=CO1 MCULE-4737175065 [0,1,0,1,0,0|0,0,1]=3 1299 B9R1.11 CCC(=O)C1=CC=CS1 MCULE-6810531901 [0,1,0,1,0,0|0,1,1]=4 1300 B9R1.11 CCC(=O)C1=COC=C1 MCULE-5288816813 [0,1,0,1,0,0|2,0,0]=4 1301 B9R1.11 CCC(=O)C1=CSC=C1 MCULE-6525890952 [0,1,0,1,0,0|2,0,0]=4 1302 B9R1.11 CCC(=O)C1=NC=CO1 MCULE-6498964393 [0,1,0,1,0,0|1,0,1]=4 1303 B9R1.11 CCC(N)C1=CC=CO1 MCULE-1360923830 [0,1,0,1,0,0|0,0,2]=4 1304 B9R1.11 CCC(N)C1=CC=CO1 MCULE-9964179923 [0,1,0,1,0,0|0,0,2]=4 1305 B9R1.11 CCC(O)C1=CC=CO1 MCULE-1745360927 [0,1,0,1,0,0|0,0,2]=4 1306 B9R1.11 CC[C@@H](N)C1=CC=CO1 MCULE-1288452519 [0,1,0,1,0,0|0,0,2]=4 1307 B9R1.11 CC[C@@H](N)C1=CC=CO1 MCULE-8312880701 [0,1,0,1,0,0|0,0,2]=4 1308 B9R1.11 CC[C@H](N)C1=CC=CO1 MCULE-4237682737 [0,1,0,1,0,0|0,0,2]=4 1309 B9R1.11 CC[C@H](N)C1=CC=CO1 MCULE-4480012950 [0,1,0,1,0,0|0,0,2]=4 1310 B9R1.11 CNC(=O)C1=CC=CO1 MCULE-1487004354 [0,1,0,1,0,0|1,0,1]=4 1311 B9R1.11 COC(=O)C1=CC=CO1 MCULE-5445948487 [0,1,0,1,0,0|1,0,1]=4 1312 B9R1.11 COC(=O)C1=CC=NO1 MCULE-8662259655 [0,1,0,1,0,0|2,0,0]=4 1313 B9R1.11 CSC(=O)C1=CC=CO1 MCULE-2334935294 [0,1,0,1,0,0|1,0,1]=4 1314 B9R1.11 NCC(=O)C1=CC=CO1 MCULE-5077908932 [0,1,0,1,0,0|1,0,1]=4 1315 B9R1.11 NCC(=O)C1=CC=CO1 MCULE-7639782556 [0,1,0,1,0,0|1,0,1]=4 1316 B9R1.11 O=C(CBr)C1=CC=CO1 MCULE-9615587201 [0,1,0,1,0,0|1,0,1]=4 1317 B9R1.11 O=C(CBr)C1=CC=NO1 MCULE-2831148171 [0,1,0,1,0,0|2,0,0]=4 1318 B9R1.11 O=C(CCl)C1=CC=CO1 MCULE-9630536808 [0,1,0,1,0,0|1,0,1]=4 1319 B9R1.11 O=C(CO)C1=CC=CO1 MCULE-4777881428 [0,1,0,1,0,0|1,0,1]=4 1320 B9R1.11 O=C(CO)C1=CC=CS1 MCULE-2449722487 [0,1,0,1,0,0|1,0,1]=4 1321 B9R1.11 O=C(NO)C1=CCCC1 MCULE-3789818826 [0,1,0,1,0,0|1,0,1]=4 1322 B9R1.21 C#CC1=CC=C(O1)CO MCULE-3294404381 [0,1,0,1,0,0|0,0,2]=4 1323 B9R1.21 C#CC1=CC=C(S1)CC MCULE-7805241598 [0,1,0,1,0,0|1,0,1]=4 1324 B9R1.21 C#CC1=CC=C(S1)CO MCULE-5944624096 [0,1,0,1,0,0|0,0,2]=4 1325 B9R1.21 CCC1=CC(=NO1)CO MCULE-6477587530 [0,1,0,1,0,0|2,0,0]=4 1326 B9R1.21 CCC1=CC=C(N1)C#N MCULE-6173080978 [0,1,0,1,0,0|1,0,1]=4 1327 B9R1.21 CCC1=CC=C(N1)C=O MCULE-3752321844 [0,1,0,1,0,0|0,0,2]=4 1328 B9R1.21 CCC1=CC=C(N1)CC MCULE-1056958054 [0,1,0,1,0,0|1,0,0]=3 1329 B9R1.21 CCC1=CC=C(O1)C=O MCULE-9298200903 [0,1,0,1,0,0|0,0,2]=4 1330 B9R1.21 CCC1=CC=C(O1)CC MCULE-4867442821 [0,1,0,1,0,0|1,0,0]=3 1331 B9R1.21 CCC1=CC=C(O1)CS MCULE-9236963746 [0,1,0,1,0,0|0,1,0]=3 1332 B9R1.21 CCC1=CC=C(S1)C=O MCULE-7682931518 [0,1,0,1,0,0|0,0,2]=4 1333 B9R1.21 CCC1=CC=C(S1)CC MCULE-7354262914 [0,1,0,1,0,0|1,0,0]=3 1334 B9R1.21 CCC1=CC=C(S1)CN MCULE-6831485879 [0,1,0,1,0,0|1,0,0]=3 1335 B9R1.21 CCC1=CC=C(S1)CO MCULE-4920258202 [0,1,0,1,0,0|0,0,0]=2 1336 B9R1.21 CCC1=CC=C(S1)SC MCULE-2811596699 [0,1,0,1,0,0|2,0,0]=4 1337 B9R1.21 CCC1=CN=C(O1)CCl MCULE-9097503402 [0,1,0,1,0,0|2,0,0]=4 1338 B9R1.21 CCC1=CN=C(O1)CN MCULE-9387283970 [0,1,0,1,0,0|2,0,0]=4 1339 B9R1.21 CCC1=CN=C(S1)CN MCULE-5347996133 [0,1,0,1,0,0|2,0,0]=4 1340 B9R1.21 CCC1=CN=C(S1)CO MCULE-3617037494 [0,1,0,1,0,0|1,0,0]=3 1341 B9R1.21 CCC1=CNC(=N1)CN MCULE-2379738829 [0,1,0,1,0,0|2,0,0]=4 1342 B9R1.21 CCC1=CNC(=N1)CN MCULE-6262205269 [0,1,0,1,0,0|2,0,0]=4 1343 B9R1.21 CCC1=CSC(=N1)CN MCULE-1160031901 [0,1,0,1,0,0|2,0,0]=4 1344 B9R1.21 CCC1=CSC(=N1)CN MCULE-3780959702 [0,1,0,1,0,0|2,0,0]=4 1345 B9R1.21 CCC1=CSC(=N1)CO MCULE-9039512971 [0,1,0,1,0,0|1,0,0]=3 1346 B9R1.21 CCC1=NC(=CN1)CN MCULE-7050879036 [0,1,0,1,0,0|2,0,0]=4 1347 B9R1.21 CCC1=NC(=CN1)CN MCULE-8708593995 [0,1,0,1,0,0|2,0,0]=4 1348 B9R1.21 CCC1=NC(=CO1)CN MCULE-9997016587 [0,1,0,1,0,0|2,0,0]=4 1349 B9R1.21 CCC1=NC(=CS1)CCl MCULE-1287511632 [0,1,0,1,0,0|2,0,0]=4 1350 B9R1.21 CCC1=NC(=CS1)CCl MCULE-3129885374 [0,1,0,1,0,0|2,0,0]=4 1351 B9R1.21 CCC1=NC(=CS1)CN MCULE-3115641100 [0,1,0,1,0,0|2,0,0]=4 1352 B9R1.21 CCC1=NC(=CS1)CN MCULE-3590125763 [0,1,0,1,0,0|2,0,0]=4 1353 B9R1.21 CCC1=NC(=CS1)CN MCULE-4303921790 [0,1,0,1,0,0|2,0,0]=4 1354 B9R1.21 CCC1=NC(=CS1)CO MCULE-7818887825 [0,1,0,1,0,0|1,0,0]=3 1355 B9R1.21 CCC1=NC(=CS1)CO MCULE-9344447924 [0,1,0,1,0,0|1,0,0]=3 1356 B9R1.21 CCC1=NC(=NN1)CO MCULE-2531820797 [0,1,0,1,0,0|2,0,0]=4 1357 B9R1.21 CCC1=NC(=NO1)CO MCULE-5508579488 [0,1,0,1,0,0|2,0,0]=4 1358 B9R1.21 CCC1=NC=C(N1)CO MCULE-8834729296 [0,1,0,1,0,0|1,0,0]=3 1359 B9R1.21 CCC1=NC=C(O1)CCl MCULE-6465426857 [0,1,0,1,0,0|2,0,0]=4 1360 B9R1.21 CCC1=NC=C(O1)CN MCULE-6126362082 [0,1,0,1,0,0|2,0,0]=4 1361 B9R1.21 CCC1=NC=C(O1)CO MCULE-2545867242 [0,1,0,1,0,0|1,0,0]=3 1362 B9R1.21 CCC1=NC=C(S1)CN MCULE-3110374345 [0,1,0,1,0,0|2,0,0]=4 1363 B9R1.21 CCC1=NC=C(S1)CO MCULE-1205984381 [0,1,0,1,0,0|1,0,0]=3 1364 B9R1.21 CCC1=NN(C=C1)CC MCULE-1260135084 [0,1,0,1,0,0|2,0,0]=4 1365 B9R1.21 CCC1=NN=C(S1)CO MCULE-5082395185 [0,1,0,1,0,0|2,0,0]=4 1366 B9R1.21 CCC1=NOC(=C1)CO MCULE-9793847490 [0,1,0,1,0,0|2,0,0]=4 1367 B9R1.21 CCC1=NOC(=N1)CO MCULE-7927207257 [0,1,0,1,0,0|2,0,0]=4 1368 B9R1.21 CCN1C=C(C=N1)CO MCULE-8058170376 [0,1,0,1,0,0|2,0,0]=4 1369 B9R1.21 CCN1C=CC(=C1)CN MCULE-5745375691 [0,1,0,1,0,0|2,0,0]=4 1370 B9R1.21 CCN1C=CC(=C1)CN MCULE-6564339794 [0,1,0,1,0,0|2,0,0]=4 1371 B9R1.21 CCN1C=CC(=N1)CBr MCULE-1953321239 [0,1,0,1,0,0|2,0,0]=4 1372 B9R1.21 CCN1C=CC(=N1)CBr MCULE-3822354249 [0,1,0,1,0,0|2,0,0]=4 1373 B9R1.21 CCN1C=CC(=N1)CCl MCULE-1622711629 [0,1,0,1,0,0|2,0,0]=4 1374 B9R1.21 CCN1C=CC(=N1)CCl MCULE-8512832205 [0,1,0,1,0,0|2,0,0]=4 1375 B9R1.21 CCN1C=CC(=N1)CN MCULE-2614508437 [0,1,0,1,0,0|2,0,0]=4 1376 B9R1.21 CCN1C=CC(=N1)CO MCULE-9595783127 [0,1,0,1,0,0|1,0,0]=3 1377 B9R1.21 CCN1C=NC(=C1)CO MCULE-9241931235 [0,1,0,1,0,0|2,0,0]=4 1378 B9R1.21 CCN1N=CC(=N1)CO MCULE-9927113643 [0,1,0,1,0,0|2,0,0]=4 1379 B9R1.21 COC1=NC=C(S1)CO MCULE-9765209480 [0,1,0,1,0,0|2,0,0]=4 1380 B9R1.21 CSC1=CC=C(O1)CO MCULE-7742816621 [0,1,0,1,0,0|1,0,0]=3 1381 B9R1.21 CSC1=NC=C(S1)CO MCULE-4581577055 [0,1,0,1,0,0|2,0,0]=4 1382 B9R1.21 ClCC1=CC=C(S1)CCl MCULE-8097590663 [0,1,0,1,0,0|2,0,0]=4 1383 B9R1.21 N#CC1=CC=C(O1)CO MCULE-6309934097 [0,1,0,1,0,0|1,0,1]=4 1384 B9R1.21 N#CC1=CC=C(S1)CO MCULE-7112577507 [0,1,0,1,0,0|1,0,1]=4 1385 B9R1.21 NCC1=CC=C(O1)CN MCULE-5833150850 [0,1,0,1,0,0|2,0,0]=4 1386 B9R1.21 NCC1=CC=C(O1)CO MCULE-1690434899 [0,1,0,1,0,0|1,0,0]=3 1387 B9R1.21 NCC1=NC(=CS1)CO MCULE-3406383845 [0,1,0,1,0,0|2,0,0]=4 1388 B9R1.21 NCC1=NC(=CS1)CO MCULE-8118467324 [0,1,0,1,0,0|2,0,0]=4 1389 B9R1.21 O=CC1=CC=C(N1)CO MCULE-6459178012 [0,1,0,1,0,0|1,0,1]=4 1390 B9R1.21 O=CC1=CC=C(O1)CO MCULE-9029574240 [0,1,0,1,0,0|1,0,1]=4 1391 B9R1.21 OCC1=CC=C(O1)CO MCULE-5077315980 [0,1,0,1,0,0|1,0,0]=3 1392 B9R1.21 OCC1=CC=C(S1)CO MCULE-4442066961 [0,1,0,1,0,0|1,0,0]=3 1393 B9R1.21 OCC1=COC(=C1)CO MCULE-1448407719 [0,1,0,1,0,0|2,0,0]=4 1394 B9R1.118 CC1(CC=CCC1)CO MCULE-9048517900 [0,1,0,1,0,0|0,0,2]=4 1395 B9R1.132 CC1=C(C(=CS1)CO)C MCULE-7302048341 [0,1,0,1,0,0|1,0,1]=4 1396 B9R1.132 CC1=CC=C(N1C)CN MCULE-6062893114 [0,1,0,1,0,0|2,0,0]=4 1397 B9R1.132 CC1=CN=C(N1C)CO MCULE-4679557904 [0,1,0,1,0,0|2,0,0]=4 1398 B9R1.132 CC1=NC=C(N1C)CO MCULE-1121831313 [0,1,0,1,0,0|2,0,0]=4 1399 B9R1.132 CN1C(=CN=C1Br)CO MCULE-9993976307 [0,1,0,1,0,0|2,0,0]=4 1400 B9R1.132 CN1C(=CN=C1CO)Br MCULE-4287420695 [0,1,0,1,0,0|2,0,0]=4 1401 B9R1.132 CN1C(=CN=C1CO)Cl MCULE-2587686589 [0,1,0,1,0,0|2,0,0]=4 1402 B9R1.132 CN1C(=CN=C1CO)Cl MCULE-3401390374 [0,1,0,1,0,0|2,0,0]=4 1403 B9R1.132 CN1C(=CN=C1Cl)CO MCULE-6051783841 [0,1,0,1,0,0|2,0,0]=4 1404 B9R1.132 CN1C(=CN=C1N)CO MCULE-7979356793 [0,1,0,1,0,0|2,0,0]=4 1405 B9R1.132 CN1C(=S)NC=C1CO MCULE-1386822124 [0,1,0,1,0,0|2,0,0]=4 1406 B9R1.6 CC(Br)C1=CC=CC=C1 MCULE-6317047431 [0,1,0,1,0,0|1,0,1]=4 1407 B9R1.6 CC(Br)C1=CN=CC=C1 MCULE-4777133753 [0,1,0,1,0,0|2,0,0]=4 1408 B9R1.6 CC(Br)C1=CN=CC=C1 MCULE-8800024931 [0,1,0,1,0,0|2,0,0]=4 1409 B9R1.6 CC(Br)C1=NC=CC=C1 MCULE-4605696357 [0,1,0,1,0,0|1,0,1]=4 1410 B9R1.6 CC(Br)C1=NC=CC=C1 MCULE-7799771060 [0,1,0,1,0,0|1,0,1]=4 1411 B9R1.6 CC(C)C1=CC=CC=C1 MCULE-3652295432 [0,1,0,1,0,0|1,0,1]=4 1412 B9R1.6 CC(C)C1=CC=CCC1 MCULE-7070052938 [0,1,0,1,0,0|1,0,0]=3 1413 B9R1.6 CC(C)C1=CC=CN=C1 MCULE-9719717966 [0,1,0,1,0,0|2,0,0]=4 1414 B9R1.6 CC(C)C1=CCCC=C1 MCULE-2122379675 [0,1,0,1,0,0|1,0,1]=4 1415 B9R1.6 CC(C)C1=NC=CC=C1 MCULE-8892038760 [0,1,0,1,0,0|1,0,1]=4 1416 B9R1.6 CC(Cl)C1=CC=CC=C1 MCULE-7314508180 [0,1,0,1,0,0|1,0,1]=4 1417 B9R1.6 CC(Cl)C1=CN=CC=C1 MCULE-1290997299 [0,1,0,1,0,0|2,0,0]=4 1418 B9R1.6 CC(Cl)C1=CN=CC=C1 MCULE-9253354607 [0,1,0,1,0,0|2,0,0]=4 1419 B9R1.6 CC(Cl)C1=NC=CC=C1 MCULE-2686847320 [0,1,0,1,0,0|1,0,1]=4 1420 B9R1.6 CC(Cl)C1=NC=CC=C1 MCULE-2995039319 [0,1,0,1,0,0|1,0,1]=4 1421 B9R1.6 CC(I)C1=CC=CC=C1 MCULE-2624111068 [0,1,0,1,0,0|1,0,1]=4 1422 B9R1.6 CC(N)C1=CC=CC=C1 MCULE-1600765787 [0,1,0,1,0,0|1,0,1]=4 1423 B9R1.6 CC(N)C1=CC=CC=C1 MCULE-3630265258 [0,1,0,1,0,0|1,0,1]=4 1424 B9R1.6 CC(N)C1=CC=CC=C1 MCULE-6637542099 [0,1,0,1,0,0|1,0,1]=4 1425 B9R1.6 CC(N)C1=CC=CN=C1 MCULE-2426928778 [0,1,0,1,0,0|2,0,0]=4 1426 B9R1.6 CC(N)C1=CC=CN=C1 MCULE-3910428497 [0,1,0,1,0,0|2,0,0]=4 1427 B9R1.6 CC(N)C1=CC=CN=C1 MCULE-4989243930 [0,1,0,1,0,0|2,0,0]=4 1428 B9R1.6 CC(N)C1=CC=CN=C1 MCULE-6134568184 [0,1,0,1,0,0|2,0,0]=4 1429 B9R1.6 CC(N)C1=CN=CC=C1 MCULE-7934241376 [0,1,0,1,0,0|2,0,0]=4 1430 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-2513599136 [0,1,0,1,0,0|1,0,1]=4 1431 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-3189819561 [0,1,0,1,0,0|1,0,1]=4 1432 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-3243571950 [0,1,0,1,0,0|1,0,1]=4 1433 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-3478719404 [0,1,0,1,0,0|1,0,1]=4 1434 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-8196894000 [0,1,0,1,0,0|1,0,1]=4 1435 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-9241117669 [0,1,0,1,0,0|1,0,1]=4 1436 B9R1.6 CC(N)C1=NN=CC=C1 MCULE-9016737858 [0,1,0,1,0,0|2,0,0]=4 1437 B9R1.6 CC(O)C1=CC=CC=C1 MCULE-1985443213 [0,1,0,1,0,0|0,0,2]=4 1438 B9R1.6 CC(O)C1=CC=CC=C1 MCULE-4930948898 [0,1,0,1,0,0|0,0,2]=4 1439 B9R1.6 CC(O)C1=CN=CC=C1 MCULE-8528239439 [0,1,0,1,0,0|1,0,1]=4 1440 B9R1.6 CC(O)C1=NC=CC=C1 MCULE-4614966921 [0,1,0,1,0,0|1,0,1]=4 1441 B9R1.6 CC(O)C1=NC=CC=C1 MCULE-6155912379 [0,1,0,1,0,0|1,0,1]=4 1442 B9R1.6 CC(O)C1=NN=CC=C1 MCULE-4160526721 [0,1,0,1,0,0|2,0,0]=4 1443 B9R1.6 CC(S)C1=CC=CC=C1 MCULE-4536552201 [0,1,0,1,0,0|1,0,1]=4 1444 B9R1.6 C[C@@H](N)C1=CC=CC=C1 MCULE-1907598521 [0,1,0,1,0,0|1,0,1]=4 1445 B9R1.6 C[C@@H](N)C1=CC=CC=C1 MCULE-3448548814 [0,1,0,1,0,0|1,0,1]=4 1446 B9R1.6 C[C@@H](N)C1=CC=CC=C1 MCULE-5411292127 [0,1,0,1,0,0|1,0,1]=4 1447 B9R1.6 C[C@@H](N)C1=CC=CN=C1 MCULE-1939842111 [0,1,0,1,0,0|2,0,0]=4 1448 B9R1.6 C[C@@H](N)C1=CC=CN=C1 MCULE-3656915561 [0,1,0,1,0,0|2,0,0]=4 1449 B9R1.6 C[C@@H](N)C1=CC=CN=C1 MCULE-3668657694 [0,1,0,1,0,0|2,0,0]=4 1450 B9R1.6 C[C@@H](N)C1=CC=CN=C1 MCULE-9633786314 [0,1,0,1,0,0|2,0,0]=4 1451 B9R1.6 C[C@@H](N)C1=CN=CC=C1 MCULE-1524255080 [0,1,0,1,0,0|2,0,0]=4 1452 B9R1.6 C[C@@H](N)C1=CN=CC=C1 MCULE-5691964019 [0,1,0,1,0,0|2,0,0]=4 1453 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-1202382499 [0,1,0,1,0,0|1,0,1]=4 1454 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-1204300650 [0,1,0,1,0,0|1,0,1]=4 1455 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-1481593257 [0,1,0,1,0,0|1,0,1]=4 1456 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-3397880254 [0,1,0,1,0,0|1,0,1]=4 1457 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-4876944154 [0,1,0,1,0,0|1,0,1]=4 1458 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-5149427942 [0,1,0,1,0,0|1,0,1]=4 1459 B9R1.6 C[C@@H](O)C1=CC=CC=C1 MCULE-2257837124 [0,1,0,1,0,0|0,0,2]=4 1460 B9R1.6 C[C@@H](O)C1=CC=CC=C1 MCULE-5085624696 [0,1,0,1,0,0|0,0,2]=4 1461 B9R1.6 C[C@@H](O)C1=CN=CC=C1 MCULE-2458883410 [0,1,0,1,0,0|1,0,1]=4 1462 B9R1.6 C[C@@H](O)C1=CN=CC=C1 MCULE-4460238058 [0,1,0,1,0,0|1,0,1]=4 1463 B9R1.6 C[C@@H](O)C1=NC=CC=C1 MCULE-4993437735 [0,1,0,1,0,0|1,0,1]=4 1464 B9R1.6 C[C@@H](O)C1=NC=CC=C1 MCULE-6904724355 [0,1,0,1,0,0|1,0,1]=4 1465 B9R1.6 C[C@@H](O)C1=NN=CC=C1 MCULE-9058481155 [0,1,0,1,0,0|2,0,0]=4 1466 B9R1.6 C[C@H](N)C1=CC=CC=C1 MCULE-1674796104 [0,1,0,1,0,0|1,0,1]=4 1467 B9R1.6 C[C@H](N)C1=CC=CC=C1 MCULE-6531880178 [0,1,0,1,0,0|1,0,1]=4 1468 B9R1.6 C[C@H](N)C1=CC=CC=C1 MCULE-6602875097 [0,1,0,1,0,0|1,0,1]=4 1469 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-1151716127 [0,1,0,1,0,0|2,0,0]=4 1470 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-2147816245 [0,1,0,1,0,0|2,0,0]=4 1471 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-3651096703 [0,1,0,1,0,0|2,0,0]=4 1472 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-7016754244 [0,1,0,1,0,0|2,0,0]=4 1473 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-7191860266 [0,1,0,1,0,0|2,0,0]=4 1474 B9R1.6 C[C@H](N)C1=CN=CC=C1 MCULE-9218110938 [0,1,0,1,0,0|2,0,0]=4 1475 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-2806894835 [0,1,0,1,0,0|1,0,1]=4 1476 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-4499283212 [0,1,0,1,0,0|1,0,1]=4 1477 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-4660902824 [0,1,0,1,0,0|1,0,1]=4 1478 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-4833827278 [0,1,0,1,0,0|1,0,1]=4 1479 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-6014549345 [0,1,0,1,0,0|1,0,1]=4 1480 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-6875629934 [0,1,0,1,0,0|1,0,1]=4 1481 B9R1.6 C[C@H](O)C1=CC=CC=C1 MCULE-3837431238 [0,1,0,1,0,0|0,0,2]=4 1482 B9R1.6 C[C@H](O)C1=CC=CC=C1 MCULE-9951781231 [0,1,0,1,0,0|0,0,2]=4 1483 B9R1.6 C[C@H](O)C1=CC=CN=C1 MCULE-4254676435 [0,1,0,1,0,0|1,0,1]=4 1484 B9R1.6 C[C@H](O)C1=CN=CC=C1 MCULE-9700495518 [0,1,0,1,0,0|1,0,1]=4 1485 B9R1.6 C[C@H](O)C1=NC=CC=C1 MCULE-1956548730 [0,1,0,1,0,0|1,0,1]=4 1486 B9R1.6 C[C@H](O)C1=NC=CC=C1 MCULE-6626087879 [0,1,0,1,0,0|1,0,1]=4 1487 B9R1.6 [C@@H](C)(S)C1=CC=CC=C1 MCULE-6894255379 [0,1,0,1,0,0|1,0,1]=4 1488 B9R1.13 CC(N)CC1=CC=CO1 MCULE-3146116219 [0,1,0,1,0,0|0,0,2]=4 1489 B9R1.13 CC(N)CC1=CC=CO1 MCULE-4578762065 [0,1,0,1,0,0|0,0,2]=4 1490 B9R1.13 CC(N)CC1=CC=NO1 MCULE-3143826828 [0,1,0,1,0,0|1,0,1]=4 1491 B9R1.13 CC(O)CC1=CC=CO1 MCULE-5714080569 [0,1,0,1,0,0|0,0,2]=4 1492 B9R1.13 CC(O)CC1=CC=NO1 MCULE-9728888169 [0,1,0,1,0,0|1,0,1]=4 1493 B9R1.24 CC1(SCC=C1CO)C MCULE-9129461323 [0,1,0,1,0,0|1,0,1]=4 1494 B9R1.41 CC(O)C1=CC=NN1C MCULE-8594084712 [0,1,0,1,0,0|2,0,0]=4 1495 B9R1.41 CC(O)C1=NC=CN1C MCULE-7860193016 [0,1,0,1,0,0|2,0,0]=4 1496 B9R1.41 CC1=C(SC=C1)C(C)O MCULE-1182705130 [0,1,0,1,0,0|1,0,1]=4 1497 B9R1.41 CN1C=CC=C1C(=O)O MCULE-8318842554 [0,1,0,1,0,0|1,0,1]=4 1498 B9R1.41 C[C@@H](N)C1=CC=CN1C MCULE-5678951227 [0,1,0,1,0,0|2,0,0]=4 1499 B9R1.41 C[C@@H](N)C1=CC=CN1C MCULE-7405067099 [0,1,0,1,0,0|2,0,0]=4 1500 B9R1.41 C[C@@H](O)C1=CC=NN1C MCULE-2216681430 [0,1,0,1,0,0|2,0,0]=4 1501 B9R1.41 C[C@H](N)C1=CC=CN1C MCULE-1315780329 [0,1,0,1,0,0|2,0,0]=4 1502 B9R1.41 C[C@H](N)C1=CC=CN1C MCULE-5516857990 [0,1,0,1,0,0|2,0,0]=4 1503 B9R1.41 C[C@H](O)C1=CC=NN1C MCULE-6951897963 [0,1,0,1,0,0|2,0,0]=4 1504 B9R1.148 CC1(OCC=CCO1)C MCULE-3529629725 [0,1,0,1,0,0|1,0,1]=4 1505 B9R2.50 C1=CC=C2CCC2=C1 MCULE-6052464038 [0,0,0,2,0,0|1,0,1]=4 1506 B9R2.39 OC1CC2C=CC1C2 MCULE-4941839757 [0,0,0,2,0,0|0,0,2]=4 1507 B9R2.39 [C@H]12C=C[C@H](C1)C(C2)O MCULE-3338276421 [0,0,0,2,0,0|0,0,2]=4 1508 B9R2.2 C1=NOC(=C1)C2CC2 MCULE-9510270056 [0,0,0,2,0,0|1,0,1]=4