0 B7R0.4 C#CCCCC(C)O MCULE-7136902430 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 C#CCCCN(C)C MCULE-8250636760 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C#CCCCN(C)C MCULE-9060840381 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 C#CCCC[C@@H](C)O MCULE-3650631732 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 C#CCNCC(C)C MCULE-1138634312 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 C#CCNCC(C)C MCULE-4821616685 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.4 C=CCCCC(C)C MCULE-7578384030 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.4 C=CCCCC(C)N MCULE-4101795283 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.4 C=CCCCC(C)O MCULE-6692920526 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.4 C=CCCNC(C)C MCULE-4275849388 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.4 C=CCNCC(C)C MCULE-1424825920 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.4 C=CCNCC(C)C MCULE-4634875589 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.4 C=COCCN(C)C MCULE-5557000118 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.4 CC(=CCOC=O)C MCULE-1475053986 [0,0,0,0,0,0|0,0,2]=2 16 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.4 CC(Br)CCCCO MCULE-2106751856 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.4 CC(C)CCCC#N MCULE-8851952716 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.4 CC(C)CCCC=O MCULE-2846844109 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.4 CC(C)CCCCBr MCULE-9236389539 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.4 CC(C)CCCCCl MCULE-5223516486 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.4 CC(C)CCCCN MCULE-3591523204 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.4 CC(C)CCCCO MCULE-9053698607 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.4 CC(C)CCCON MCULE-5299845209 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.4 CC(C)CCCON MCULE-8643496539 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.4 CC(C)CCN=C=O MCULE-2154901803 [0,0,0,0,0,0|1,0,1]=2 28 B7R0.4 CC(C)CCN=C=S MCULE-4875828479 [0,0,0,0,0,0|1,1,1]=3 29 B7R0.4 CC(C)CCN=N#N MCULE-1481672811 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.4 CC(C)CCOC=O MCULE-3671444552 [0,0,0,0,0,0|0,0,0]=0 31 B7R0.4 CC(C)CCON=O MCULE-5177168468 [0,0,0,0,0,0|1,0,0]=1 32 B7R0.4 CC(C)CNCC#N MCULE-6714270376 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.4 CC(C)CNCCN MCULE-3059280265 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.4 CC(C)CNCCO MCULE-3948234461 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.4 CC(C)CNCCO MCULE-6673201049 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.4 CC(C)COCCBr MCULE-7232103778 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.4 CC(C)COCCN MCULE-9238454281 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.4 CC(C)COCCN MCULE-9987398976 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.4 CC(C)COCCO MCULE-2997702641 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.4 CC(C)CSCCCl MCULE-1798266957 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.4 CC(C)CSCCN MCULE-6100886830 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.4 CC(C)CSCCN MCULE-8368453687 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.4 CC(C)CSCCO MCULE-5481216581 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.4 CC(C)NCCC#N MCULE-4213887159 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.4 CC(C)NCCC#N MCULE-9871248410 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.4 CC(C)NCCCN MCULE-2900400569 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.4 CC(C)NCCCO MCULE-4556994899 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.4 CC(C)NCCCO MCULE-9550690390 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.4 CC(C)OCCC#N MCULE-4613636194 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.4 CC(C)OCCCBr MCULE-6061340501 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.4 CC(C)OCCCCl MCULE-5339928259 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.4 CC(C)OCCCN MCULE-6787172017 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.4 CC(C)OCCCN MCULE-8495001717 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.4 CC(C)OCCCO MCULE-9280654202 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.4 CC(C)OCCON MCULE-8218216454 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.4 CC(C)SCCCN MCULE-6322440113 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.4 CC(C)SCCCO MCULE-4296249117 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.4 CC(Cl)CCCCCl MCULE-4829013540 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.4 CC(N)CCCCN MCULE-3497267062 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.4 CC(N)CCCCN MCULE-9887360104 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.4 CC(N)CCCCO MCULE-7039935081 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.4 CC(N)CCCCO MCULE-8167834378 [0,0,0,0,0,0|2,0,2]=4 63 B7R0.4 CC(O)CCCCO MCULE-3790969400 [0,0,0,0,0,0|2,0,2]=4 64 B7R0.4 CCC=CCC(C)C MCULE-6798729321 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.4 CCCCCC(C)Br MCULE-4688847972 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.4 CCCCCC(C)C MCULE-9815158757 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.4 CCCCCC(C)Cl MCULE-1461261404 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.4 CCCCCC(C)N MCULE-1307982487 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.4 CCCCCC(C)N MCULE-8625441795 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.4 CCCCCC(C)N MCULE-9791654909 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.4 CCCCCC(C)O MCULE-2463855771 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.4 CCCCCC(C)S MCULE-3173115736 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.4 CCCCC[C@@H](C)N MCULE-2460238945 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.4 CCCCC[C@@H](C)N MCULE-6386771130 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 CCCCC[C@@H](C)N MCULE-6470246577 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.4 CCCCC[C@H](C)N MCULE-8119988811 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.4 CCCCC[C@H](C)N MCULE-9987283826 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.4 CCCCNC(C)C MCULE-2695970517 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.4 CCCCNC(C)C MCULE-9973816117 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.4 CCCCOC(C)C MCULE-1504269570 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.4 CCCNCC(C)C MCULE-2869656642 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.4 CCNCCN(C)C MCULE-6722045380 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.4 CCO/C=C/C(C)C MCULE-7416901605 [0,0,0,0,0,0|1,0,3]=4 88 B7R0.4 CCOC=CC(C)C MCULE-3218868182 [0,0,0,0,0,0|1,0,3]=4 89 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,0,0,0,0,0|2,0,2]=4 90 B7R0.4 CCONCC(C)C MCULE-3595879270 [0,0,0,0,0,0|2,0,1]=3 91 B7R0.4 CCONCC(C)C MCULE-6329996438 [0,0,0,0,0,0|2,0,1]=3 92 B7R0.4 CCSCCC(C)N MCULE-6854502332 [0,0,0,0,0,0|2,1,1]=4 93 B7R0.4 CN(C)CCCC#N MCULE-8583144610 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.4 CN(C)CCCC=O MCULE-1296611805 [0,0,0,0,0,0|2,0,0]=2 95 B7R0.4 CN(C)CCCCBr MCULE-3700239066 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.4 CN(C)CCCCBr MCULE-5243977766 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.4 CN(C)CCCCCl MCULE-5038597183 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.4 CN(C)CCCCCl MCULE-8885080954 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.4 CN(C)CCCCN MCULE-4457571368 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.4 CN(C)CCCCN MCULE-9067239115 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.4 CN(C)CCCCO MCULE-6973654872 [0,0,0,0,0,0|2,0,2]=4 102 B7R0.4 CN(C)CCCNN MCULE-2247582660 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.4 CN(C)CCCNN MCULE-5675959824 [0,0,0,0,0,0|4,0,0]=4 104 B7R0.4 CN(C)CCCON MCULE-1245472313 [0,0,0,0,0,0|4,0,0]=4 105 B7R0.4 CN(C)CCCON MCULE-5946614062 [0,0,0,0,0,0|4,0,0]=4 106 B7R0.4 CN(C)CCN=C=O MCULE-3911246186 [0,0,0,0,0,0|2,0,1]=3 107 B7R0.4 CN(C)CCN=C=S MCULE-4164009112 [0,0,0,0,0,0|2,1,1]=4 108 B7R0.4 CN(C)CCN=N#N MCULE-4305944785 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.4 CN(C)CCN=N#N MCULE-4539496119 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.4 CN(C)CCNC=O MCULE-6221074161 [0,0,0,0,0,0|2,0,0]=2 111 B7R0.4 CNCCCC(C)C MCULE-1784678333 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.4 CNCCCN(C)C MCULE-2186520808 [0,0,0,0,0,0|4,0,0]=4 113 B7R0.4 CNCCNC(C)C MCULE-9007534493 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.4 COCCCC(C)N MCULE-4298611846 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.4 COCCCC(C)N MCULE-8139434838 [0,0,0,0,0,0|4,0,0]=4 116 B7R0.4 COCCCC(C)O MCULE-4190294636 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.4 COCCNC(C)C MCULE-2061720092 [0,0,0,0,0,0|4,0,0]=4 118 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,0,0,0,0,0|3,0,1]=4 119 B6R0.4 C#CCCC(C)C MCULE-9613694830 [1,0,0,0,0,0|1,0,1]=3 120 B6R0.4 C#CCCC(C)O MCULE-1476308263 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.4 C#CCCN(C)C MCULE-9558095172 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.4 C#CCNC(C)C MCULE-6517958599 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.4 C#CCNC(C)C MCULE-7459223609 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.4 C#CCOC(C)C MCULE-3111253071 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [1,0,0,0,0,0|1,0,2]=4 126 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.4 C=CCCC(C)C MCULE-7128249655 [1,0,0,0,0,0|1,0,0]=2 129 B6R0.4 C=CCCC(C)O MCULE-3388106789 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [1,0,0,0,0,0|2,0,0]=3 133 B6R0.4 C=CCNC(C)C MCULE-1450045891 [1,0,0,0,0,0|2,0,0]=3 134 B6R0.4 C=CCNC(C)C MCULE-3261189096 [1,0,0,0,0,0|2,0,0]=3 135 B6R0.4 C=CCNC(C)C MCULE-4894255968 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.4 C=COCC(C)C MCULE-7268141053 [1,0,0,0,0,0|1,0,0]=2 137 B6R0.4 C=CON=C(C)C MCULE-5340817509 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|1,0,1]=3 140 B6R0.4 CC(Br)CCC#N MCULE-7424967519 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.4 CC(Br)CCCBr MCULE-8808667049 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [1,0,0,0,0,0|0,0,2]=3 143 B6R0.4 CC(C)CCC#N MCULE-5503038837 [1,0,0,0,0,0|1,0,1]=3 144 B6R0.4 CC(C)CCC=O MCULE-9664145623 [1,0,0,0,0,0|0,0,0]=1 145 B6R0.4 CC(C)CCCBr MCULE-2045625937 [1,0,0,0,0,0|1,0,1]=3 146 B6R0.4 CC(C)CCCCl MCULE-4841628592 [1,0,0,0,0,0|1,0,1]=3 147 B6R0.4 CC(C)CCCI MCULE-4035616717 [1,0,0,0,0,0|1,0,1]=3 148 B6R0.4 CC(C)CCCN MCULE-2232715676 [1,0,0,0,0,0|1,0,1]=3 149 B6R0.4 CC(C)CCCN MCULE-7121372197 [1,0,0,0,0,0|1,0,1]=3 150 B6R0.4 CC(C)CCCO MCULE-5797993948 [1,0,0,0,0,0|0,0,2]=3 151 B6R0.4 CC(C)CCCS MCULE-8417191578 [1,0,0,0,0,0|0,1,1]=3 152 B6R0.4 CC(C)CCNN MCULE-1163630283 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.4 CC(C)CCNN MCULE-2023326468 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.4 CC(C)CCNN MCULE-4572239737 [1,0,0,0,0,0|2,0,0]=3 155 B6R0.4 CC(C)CCON MCULE-2653553816 [1,0,0,0,0,0|1,0,0]=2 156 B6R0.4 CC(C)CCON MCULE-6468395078 [1,0,0,0,0,0|1,0,0]=2 157 B6R0.4 CC(C)CN=C=O MCULE-3174970377 [1,0,0,0,0,0|1,0,1]=3 158 B6R0.4 CC(C)CN=C=S MCULE-8043723276 [1,0,0,0,0,0|1,1,1]=4 159 B6R0.4 CC(C)CN=N#N MCULE-3597135332 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.4 CC(C)CNC=O MCULE-2156996206 [1,0,0,0,0,0|1,0,0]=2 161 B6R0.4 CC(C)COC=O MCULE-8234906771 [1,0,0,0,0,0|0,0,0]=1 162 B6R0.4 CC(C)COCCl MCULE-2194640169 [1,0,0,0,0,0|1,0,1]=3 163 B6R0.4 CC(C)CON=O MCULE-8394966903 [1,0,0,0,0,0|1,0,0]=2 164 B6R0.4 CC(C)CSCCl MCULE-5218455619 [1,0,0,0,0,0|1,1,1]=4 165 B6R0.4 CC(C)NCC#N MCULE-1545752174 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.4 CC(C)NCC#N MCULE-4381172074 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.4 CC(C)NCCCl MCULE-1521398137 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.4 CC(C)NCCCl MCULE-2586914937 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.4 CC(C)NCCN MCULE-1003086359 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.4 CC(C)NCCN MCULE-5066931507 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.4 CC(C)NCCO MCULE-1749029105 [1,0,0,0,0,0|1,0,2]=4 172 B6R0.4 CC(C)OCC#N MCULE-4594795380 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.4 CC(C)OCC=O MCULE-5974054323 [1,0,0,0,0,0|1,0,0]=2 174 B6R0.4 CC(C)OCCBr MCULE-8869065375 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.4 CC(C)OCCCl MCULE-3848763715 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.4 CC(C)OCCI MCULE-8259612531 [1,0,0,0,0,0|2,0,1]=4 177 B6R0.4 CC(C)OCCN MCULE-6140628944 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.4 CC(C)OCCN MCULE-7438591135 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.4 CC(C)OCCN MCULE-7614115649 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.4 CC(C)OCCO MCULE-8766149613 [1,0,0,0,0,0|1,0,2]=4 181 B6R0.4 CC(C)SCC#N MCULE-2685282403 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.4 CC(C)SCC=O MCULE-3174965592 [1,0,0,0,0,0|1,0,0]=2 183 B6R0.4 CC(C)SCCCl MCULE-4991548042 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.4 CC(C)SCCN MCULE-2838203545 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.4 CC(C)SCCN MCULE-6551225219 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.4 CC(C)SCCO MCULE-1467015400 [1,0,0,0,0,0|1,0,2]=4 187 B6R0.4 CC(Cl)CCC#N MCULE-2064174419 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.4 CC(Cl)CCCCl MCULE-9382073752 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [1,0,0,0,0,0|1,0,2]=4 190 B6R0.4 CC(N)CCCN MCULE-4857113826 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.4 CC(N)CCCN MCULE-4899798325 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.4 CC(N)CCCO MCULE-6629535696 [1,0,0,0,0,0|1,0,2]=4 193 B6R0.4 CC(O)CCC#N MCULE-6350143710 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|1,0,2]=4 198 B6R0.4 CC=CCC(C)C MCULE-7145682250 [1,0,0,0,0,0|1,0,1]=3 199 B6R0.4 CCCCC(C)Br MCULE-3252474574 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.4 CCCCC(C)C MCULE-7568461039 [1,0,0,0,0,0|1,0,1]=3 201 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [1,0,0,0,0,0|2,0,1]=4 202 B6R0.4 CCCCC(C)N MCULE-5349371506 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.4 CCCCC(C)N MCULE-6696490028 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.4 CCCCC(C)S MCULE-4791681848 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.4 CCCCN(C)C MCULE-7202077639 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.4 CCCNC(C)C MCULE-7475023734 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.4 CCCSC(C)C MCULE-2233656285 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.4 CCNCC(C)C MCULE-1625905125 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.4 CCNCC(C)C MCULE-3527739859 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.4 CCOCC(C)C MCULE-7986128672 [1,0,0,0,0,0|1,0,1]=3 220 B6R0.4 CCOCC(C)N MCULE-8540668261 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.4 CCOCC(C)N MCULE-8720228996 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.4 CCONC(C)C MCULE-2412572743 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.4 CCONC(C)C MCULE-9246196365 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.4 CN(C)/C=C/C=O MCULE-2048385164 [1,0,0,0,0,0|1,0,2]=4 231 B6R0.4 CN(C)C=CC=O MCULE-3308636651 [1,0,0,0,0,0|1,0,2]=4 232 B6R0.4 CN(C)CCC#N MCULE-8979604677 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.4 CN(C)CCC=O MCULE-6830649526 [1,0,0,0,0,0|1,0,0]=2 234 B6R0.4 CN(C)CCCBr MCULE-2862944726 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 CN(C)CCCBr MCULE-4596026048 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.4 CN(C)CCCBr MCULE-7515880350 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.4 CN(C)CCCCl MCULE-1347366200 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 CN(C)CCCCl MCULE-3767329555 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.4 CN(C)CCCI MCULE-2134226049 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.4 CN(C)CCCI MCULE-2999516061 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.4 CN(C)CCCN MCULE-3882436382 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.4 CN(C)CCCN MCULE-4415270662 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.4 CN(C)CCCN MCULE-4624916051 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.4 CN(C)CCCN MCULE-4749435878 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.4 CN(C)CCCN MCULE-9301668058 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.4 CN(C)CCCO MCULE-7408728427 [1,0,0,0,0,0|1,0,2]=4 247 B6R0.4 CN(C)CCCS MCULE-7945161812 [1,0,0,0,0,0|1,1,1]=4 248 B6R0.4 CN(C)CCNN MCULE-5321668174 [1,0,0,0,0,0|3,0,0]=4 249 B6R0.4 CN(C)CCNN MCULE-6578987911 [1,0,0,0,0,0|3,0,0]=4 250 B6R0.4 CN(C)CCON MCULE-1981169712 [1,0,0,0,0,0|2,0,0]=3 251 B6R0.4 CN(C)CCON MCULE-6706970282 [1,0,0,0,0,0|2,0,0]=3 252 B6R0.4 CNCCC(C)C MCULE-3679914556 [1,0,0,0,0,0|1,0,1]=3 253 B6R0.4 CNCCC(C)C MCULE-9679972004 [1,0,0,0,0,0|1,0,1]=3 254 B6R0.4 CNCCC(C)N MCULE-5955505029 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.4 CNCCC(C)N MCULE-8933967952 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 CNCCN(C)C MCULE-3324857553 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.4 CNCCN(C)C MCULE-8014008412 [1,0,0,0,0,0|2,0,1]=4 259 B6R0.4 CNCCN(C)C MCULE-9954339750 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 CNOCC(C)C MCULE-4779196887 [1,0,0,0,0,0|2,0,0]=3 264 B6R0.4 CNOCC(C)C MCULE-7320343096 [1,0,0,0,0,0|2,0,0]=3 265 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|1,0,2]=4 266 B6R0.4 COCCC(C)Br MCULE-6529807745 [1,0,0,0,0,0|1,0,1]=3 267 B6R0.4 COCCC(C)C MCULE-8727768886 [1,0,0,0,0,0|0,0,1]=2 268 B6R0.4 COCCC(C)N MCULE-6183216923 [1,0,0,0,0,0|1,0,1]=3 269 B6R0.4 COCCC(C)O MCULE-6536001437 [1,0,0,0,0,0|1,0,1]=3 270 B6R0.4 COCCN(C)C MCULE-5323166567 [1,0,0,0,0,0|1,0,1]=3 271 B6R0.4 COCCN(C)N MCULE-9480733049 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [1,0,0,0,0,0|1,0,1]=3 273 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [1,0,0,0,0,0|1,0,1]=3 274 B6R0.4 CON=CC(C)C MCULE-1606683545 [1,0,0,0,0,0|1,0,2]=4 275 B6R0.4 CSCCC(C)N MCULE-3925048385 [1,0,0,0,0,0|1,1,1]=4 276 B6R0.4 CSCCC(C)O MCULE-5934844952 [1,0,0,0,0,0|1,1,1]=4 277 B6R0.4 CSCCN(C)C MCULE-2148124964 [1,0,0,0,0,0|1,1,1]=4 278 B6R0.4 CSCCN(C)C MCULE-5176242697 [1,0,0,0,0,0|1,1,1]=4 279 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [1,0,0,0,0,0|1,0,2]=4 280 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|1,0,2]=4 281 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 O=CCCC(F)F MCULE-4743402824 [1,0,0,0,0,0|2,0,0]=3 283 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.6 C#CCCCC=O MCULE-4075029417 [1,0,0,0,0,0|1,0,2]=4 285 B6R0.6 C#CCCCCC MCULE-7776756434 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.6 C/C=C/CCCC MCULE-6900331316 [1,0,0,0,0,0|2,0,0]=3 287 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,0,0,0,0,0|3,0,0]=4 288 B6R0.6 C/C=C\CCCC MCULE-8426867799 [1,0,0,0,0,0|2,0,0]=3 289 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,0,0,0,0,0|3,0,0]=4 290 B6R0.6 C=CCCCC=O MCULE-8676840281 [1,0,0,0,0,0|1,0,2]=4 291 B6R0.6 C=CCCCCBr MCULE-4313298656 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.6 C=CCCCCC MCULE-5868303078 [1,0,0,0,0,0|2,0,0]=3 293 B6R0.6 C=CCCCCCl MCULE-7600727876 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.6 C=CCCCCI MCULE-5694143061 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.6 C=CCCCCN MCULE-1489231988 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.6 C=CCCCCN MCULE-4288584778 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.6 C=CCCCCO MCULE-3631432277 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.6 C=CCCCNC MCULE-6696525157 [1,0,0,0,0,0|3,0,0]=4 299 B6R0.6 C=CCCCNC MCULE-7417274044 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.6 C=CCNCCC MCULE-4239068147 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.6 C=CCNCCC MCULE-9778489216 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.6 C=CCSCCC MCULE-3855352363 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.6 C=COCCCC MCULE-2025922328 [1,0,0,0,0,0|1,0,0]=2 304 B6R0.6 C=COCCCN MCULE-1669664157 [1,0,0,0,0,0|2,0,0]=3 305 B6R0.6 C=COCCCO MCULE-8325617945 [1,0,0,0,0,0|2,0,0]=3 306 B6R0.6 C=COCCOC MCULE-6845218696 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.6 C=COCCON MCULE-8247202981 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.6 CC#CCCCC MCULE-1899332515 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,0,0,0,0,0|1,0,2]=4 310 B6R0.6 CC=CCCCBr MCULE-1109208969 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.6 CC=CCCCC MCULE-7277981733 [1,0,0,0,0,0|2,0,0]=3 312 B6R0.6 CC=CCCCCl MCULE-7487798637 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.6 CC=CCCCO MCULE-1401303632 [1,0,0,0,0,0|3,0,0]=4 314 B6R0.6 CC=CSCCC MCULE-3534082442 [1,0,0,0,0,0|3,0,0]=4 315 B6R0.6 CCC#CCC=O MCULE-4049790039 [1,0,0,0,0,0|1,0,2]=4 316 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,0,0,0,0,0|1,0,1]=3 317 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,0,0,0,0,0|1,0,2]=4 318 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,0,0,0,0,0|1,0,1]=3 319 B6R0.6 CCCCCC#N MCULE-7596791521 [1,0,0,0,0,0|2,0,1]=4 320 B6R0.6 CCCCCC=O MCULE-6770578514 [1,0,0,0,0,0|1,0,0]=2 321 B6R0.6 CCCCCCBr MCULE-6022503394 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.6 CCCCCCC MCULE-5817084747 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.6 CCCCCCCl MCULE-3706149525 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.6 CCCCCCF MCULE-4320903575 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.6 CCCCCCI MCULE-1021236615 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.6 CCCCCCN MCULE-2944455155 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.6 CCCCCCN MCULE-6014217174 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.6 CCCCCCN MCULE-6021451227 [1,0,0,0,0,0|2,0,1]=4 329 B6R0.6 CCCCCCO MCULE-4299150163 [1,0,0,0,0,0|1,0,2]=4 330 B6R0.6 CCCCCCS MCULE-5962964855 [1,0,0,0,0,0|1,1,1]=4 331 B6R0.6 CCCCCNC MCULE-8082703734 [1,0,0,0,0,0|3,0,0]=4 332 B6R0.6 CCCCCNN MCULE-5089668540 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.6 CCCCCNN MCULE-7265120524 [1,0,0,0,0,0|3,0,0]=4 334 B6R0.6 CCCCCOC MCULE-3370181741 [1,0,0,0,0,0|3,0,0]=4 335 B6R0.6 CCCCCON MCULE-5372426564 [1,0,0,0,0,0|3,0,0]=4 336 B6R0.6 CCCCCON MCULE-8557641459 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.6 CCCCCSC MCULE-6566108868 [1,0,0,0,0,0|3,0,0]=4 338 B6R0.6 CCCCN=C=O MCULE-3381327717 [1,0,0,0,0,0|1,0,1]=3 339 B6R0.6 CCCCN=C=S MCULE-3952129182 [1,0,0,0,0,0|1,1,1]=4 340 B6R0.6 CCCCN=N#N MCULE-4207638779 [1,0,0,0,0,0|3,0,0]=4 341 B6R0.6 CCCCNC=O MCULE-8821792924 [1,0,0,0,0,0|1,0,0]=2 342 B6R0.6 CCCCNCC MCULE-8816750429 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.6 CCCCNOC MCULE-4265481432 [1,0,0,0,0,0|3,0,0]=4 344 B6R0.6 CCCCOC=O MCULE-4633421026 [1,0,0,0,0,0|0,0,0]=1 345 B6R0.6 CCCCOCC MCULE-5662731951 [1,0,0,0,0,0|1,0,1]=3 346 B6R0.6 CCCCOCCl MCULE-5282964693 [1,0,0,0,0,0|1,0,1]=3 347 B6R0.6 CCCCON=O MCULE-9992790020 [1,0,0,0,0,0|1,0,0]=2 348 B6R0.6 CCCCSC#N MCULE-4585387956 [1,0,0,0,0,0|1,1,1]=4 349 B6R0.6 CCCCSCC MCULE-4832924468 [1,0,0,0,0,0|1,1,1]=4 350 B6R0.6 CCCCSCCl MCULE-4907770015 [1,0,0,0,0,0|1,1,1]=4 351 B6R0.6 CCCNOCC MCULE-1349462426 [1,0,0,0,0,0|2,0,1]=4 352 B6R0.6 CCCNOCC MCULE-7159087335 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.6 CCOCCC=O MCULE-1664130148 [1,0,0,0,0,0|2,0,0]=3 354 B6R0.6 CCOCCCBr MCULE-6544747281 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.6 CCOCCCCl MCULE-8523618681 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.6 CCOCCCI MCULE-6640732668 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.6 CCOCCCN MCULE-3491529722 [1,0,0,0,0,0|2,0,1]=4 358 B6R0.6 CCOCCCO MCULE-3077567484 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.6 CCOCCNC MCULE-5244682559 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.6 CCOCCNC MCULE-9344296133 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.6 CCOCCOC MCULE-2753000412 [1,0,0,0,0,0|2,0,1]=4 362 B6R0.6 CCOCOCC MCULE-3885854108 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.6 CCSCCC=O MCULE-2493452950 [1,0,0,0,0,0|2,0,0]=3 364 B6R0.6 CNOCCOC MCULE-2652662364 [1,0,0,0,0,0|3,0,0]=4 365 B6R0.6 CNOCCOC MCULE-3394597000 [1,0,0,0,0,0|3,0,0]=4 366 B6R0.6 COCCCC=O MCULE-2055914202 [1,0,0,0,0,0|2,0,0]=3 367 B6R0.6 COCCN=C=O MCULE-7139432642 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.6 COCCNC=O MCULE-9003279073 [1,0,0,0,0,0|2,0,0]=3 369 B6R0.6 COCCOCCl MCULE-6701095927 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.6 CSCCCC=O MCULE-6353729217 [1,0,0,0,0,0|2,0,0]=3 371 B6R0.6 CSCCN=C=O MCULE-4217751051 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.6 NCCCNC=O MCULE-9651299205 [1,0,0,0,0,0|2,0,0]=3 373 B6R0.6 O=C=NCCCCl MCULE-4158367269 [1,0,0,0,0,0|2,0,1]=4 374 B6R0.6 O=CCCCC=O MCULE-6802048757 [1,0,0,0,0,0|2,0,1]=4 375 B6R0.6 O=CCCCCCl MCULE-1257670284 [1,0,0,0,0,0|2,0,0]=3 376 B6R0.6 O=CCCCCO MCULE-7959082228 [1,0,0,0,0,0|2,0,0]=3 377 B6R0.6 O=CNCCCO MCULE-7926485528 [1,0,0,0,0,0|2,0,0]=3 378 B8R0.5 C=CCC(C)CC(C)C MCULE-8816279401 [0,1,0,0,0,0|2,0,0]=3 379 B8R0.5 CC(=CC=O)CC(C)C MCULE-4061823977 [0,1,0,0,0,0|1,0,1]=3 380 B8R0.5 CC(C)CC(=O)OCCl MCULE-3506308902 [0,1,0,0,0,0|1,0,2]=4 381 B8R0.5 CC(C)CC(=O)OCI MCULE-8217025108 [0,1,0,0,0,0|1,0,2]=4 382 B8R0.5 CC(C)CC(C)CCO MCULE-4252029005 [0,1,0,0,0,0|1,0,2]=4 383 B8R0.5 CC(C)CC(N)CCO MCULE-3556995407 [0,1,0,0,0,0|1,0,2]=4 384 B8R0.5 CC(C)C[C@H](N)CCO MCULE-8336727873 [0,1,0,0,0,0|1,0,2]=4 385 B8R0.5 CCCC(C)CC(C)C MCULE-4080546731 [0,1,0,0,0,0|2,0,1]=4 386 B8R0.5 CCOC(=N)CC(C)C MCULE-4196552764 [0,1,0,0,0,0|1,0,2]=4 387 B8R0.5 CCOC(=N)CC(C)C MCULE-7556709104 [0,1,0,0,0,0|1,0,2]=4 388 B8R0.5 CCOC(=O)CC(C)C MCULE-1409113611 [0,1,0,0,0,0|1,0,2]=4 389 B8R0.5 CNCC(N)CC(C)C MCULE-2079953825 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.5 COCC(O)CC(C)C MCULE-8774838486 [0,1,0,0,0,0|3,0,0]=4 391 B8R0.5 COC[C@H](N)CC(C)C MCULE-2740362594 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.6 C/C=C/CNC(C)CC MCULE-7329787460 [0,1,0,0,0,0|3,0,0]=4 393 B8R0.6 C/C=C/CNC(C)CC MCULE-7779517823 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.6 CC=CCNC(C)CC MCULE-1117574356 [0,1,0,0,0,0|3,0,0]=4 395 B8R0.6 CC=CCNC(C)CC MCULE-2359188339 [0,1,0,0,0,0|3,0,0]=4 396 B8R0.6 CCC(C)CCCCO MCULE-9107164434 [0,1,0,0,0,0|1,0,2]=4 397 B8R0.6 CCCCCC(C)CC MCULE-8343490845 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.6 CCCCCC(C)CO MCULE-4884757032 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.6 CCSCCC(C)NC MCULE-8576737073 [0,1,0,0,0,0|1,1,1]=4 400 B8R0.6 CC[C@H](C)CCCCO MCULE-2674922341 [0,1,0,0,0,0|1,0,2]=4 401 B8R0.6 CC[C@H](C)CCCCO MCULE-7482991055 [0,1,0,0,0,0|1,0,2]=4 402 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.6 COC(=O)CCNC=O MCULE-2214149264 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.7 C#CCOCCN(C)C MCULE-2571146284 [0,1,0,0,0,0|2,0,1]=4 405 B8R0.7 C=CCCCCC(C)N MCULE-2841967762 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.7 C=CCCNCC(C)C MCULE-5787359946 [0,1,0,0,0,0|2,0,0]=3 407 B8R0.7 CC#CCNCC(C)C MCULE-2769268592 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.7 CC#CCNCC(C)C MCULE-8572735992 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [0,1,0,0,0,0|1,0,1]=3 410 B8R0.7 CC(C)CCCCC=O MCULE-9268976664 [0,1,0,0,0,0|1,0,0]=2 411 B8R0.7 CC(C)CCCCCBr MCULE-6339659463 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.7 CC(C)CCCCCN MCULE-4764798524 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.7 CC(C)CCCCCO MCULE-2133434329 [0,1,0,0,0,0|1,0,2]=4 414 B8R0.7 CC(C)CCNCCBr MCULE-2670026363 [0,1,0,0,0,0|2,0,1]=4 415 B8R0.7 CC(C)CCNCCBr MCULE-8753554915 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.7 CC(C)CCNCCN MCULE-3917899793 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.7 CC(C)CCNCCO MCULE-7584613000 [0,1,0,0,0,0|1,0,2]=4 418 B8R0.7 CC(C)CCOCCCl MCULE-6456640636 [0,1,0,0,0,0|1,0,1]=3 419 B8R0.7 CC(C)CCOCCN MCULE-2357363560 [0,1,0,0,0,0|1,0,1]=3 420 B8R0.7 CC(C)CCOCCO MCULE-2905905370 [0,1,0,0,0,0|0,0,2]=3 421 B8R0.7 CC(C)CNCCC#N MCULE-6645102922 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.7 CC(C)CNCCCO MCULE-2271519808 [0,1,0,0,0,0|1,0,2]=4 423 B8R0.7 CC(C)COCCC#N MCULE-2186187096 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.7 CC(C)COCCCN MCULE-1113222381 [0,1,0,0,0,0|2,0,1]=4 425 B8R0.7 CC(C)COCCCO MCULE-8827861403 [0,1,0,0,0,0|1,0,2]=4 426 B8R0.7 CC(C)CSCCCCl MCULE-4611281209 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.7 CC(C)CSCCCN MCULE-7842745549 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.7 CC(C)CSCCCO MCULE-8186559992 [0,1,0,0,0,0|1,0,2]=4 429 B8R0.7 CC(C)NCCCCO MCULE-2420054943 [0,1,0,0,0,0|1,0,2]=4 430 B8R0.7 CC(C)OCCCC#N MCULE-4911501527 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.7 CC(C)OCCCCN MCULE-1961317000 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.7 CC(C)OCCCCO MCULE-7834967841 [0,1,0,0,0,0|1,0,2]=4 433 B8R0.7 CC(C)SCCCCN MCULE-5756873286 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.7 CCCCCCC(C)C MCULE-5799144994 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.7 CCCCCNC(C)C MCULE-7953510120 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.7 CCCCNCC(C)C MCULE-9792329369 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.7 CCCCSCC(C)C MCULE-3062170002 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.7 CN(C)CCOCCCl MCULE-5379421824 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.7 CN(C)CCOCCCl MCULE-7673458709 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.7 CN(C)CCOCCN MCULE-3747000450 [0,1,0,0,0,0|2,0,1]=4 441 B8R0.7 CN(C)CCOCCN MCULE-4193790881 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.7 CN(C)CCOCCN MCULE-7340326244 [0,1,0,0,0,0|2,0,1]=4 443 B8R0.7 CN(C)CCOCCO MCULE-9950253229 [0,1,0,0,0,0|1,0,2]=4 444 B8R0.7 CNCCCNC(C)C MCULE-7039921081 [0,1,0,0,0,0|3,0,0]=4 445 B8R0.7 CNCCCOC(C)C MCULE-5549073656 [0,1,0,0,0,0|3,0,0]=4 446 B8R0.7 CNCCCOC(C)C MCULE-5985260047 [0,1,0,0,0,0|3,0,0]=4 447 B8R0.7 COCCNCC(C)C MCULE-3557260758 [0,1,0,0,0,0|3,0,0]=4 448 B8R0.7 O=CCCOCC(F)F MCULE-3203940410 [0,1,0,0,0,0|3,0,0]=4 449 B8R0.7 [NH2+](CCCC)CC(C)C MCULE-7018223822 [0,1,0,0,0,0|2,0,1]=4 450 B8R0.8 C=CCCC(N)C(C)C MCULE-5950352597 [0,1,0,0,0,0|2,0,0]=3 451 B8R0.8 C=CCCC(N)C(C)C MCULE-6219678925 [0,1,0,0,0,0|2,0,0]=3 452 B8R0.8 CCCCC(C)C(C)C MCULE-8506374473 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.8 CCCCC(O)C(C)C MCULE-3997068945 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.8 CCOCC(N)C(C)C MCULE-6644223666 [0,1,0,0,0,0|1,0,1]=3 455 B8R0.8 CCOCC(N)C(C)C MCULE-7204690887 [0,1,0,0,0,0|1,0,1]=3 456 B8R0.8 COCCC(O)C(C)C MCULE-8987535377 [0,1,0,0,0,0|3,0,0]=4 457 B8R0.9 C/C(=N\O)/CCC(C)C MCULE-6160318624 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.9 C=CC(=O)OCC(C)C MCULE-9738172155 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.9 CC(=NO)CCC(C)C MCULE-1275882348 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.9 CC(C)CC/C(=N/O)/N MCULE-5971141379 [0,1,0,0,0,0|2,0,1]=4 461 B8R0.9 CC(C)CCC(=O)CCl MCULE-7122163926 [0,1,0,0,0,0|2,0,1]=4 462 B8R0.9 CC(C)CCC(=O)CN MCULE-2601333978 [0,1,0,0,0,0|2,0,1]=4 463 B8R0.9 CC(C)CCC(=O)CN MCULE-9600279855 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.9 CC(C)CCC(C)CO MCULE-8698383870 [0,1,0,0,0,0|1,0,2]=4 465 B8R0.9 CC(C)CCC(N)CO MCULE-1841093348 [0,1,0,0,0,0|1,0,2]=4 466 B8R0.9 CC(C)CCC(N)CO MCULE-6322500554 [0,1,0,0,0,0|1,0,2]=4 467 B8R0.9 CC(C)OC=C(Br)C=O MCULE-2335632403 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.9 CCC(=O)CCC(C)C MCULE-3065298823 [0,1,0,0,0,0|2,0,1]=4 469 B8R0.9 CCC(O)CCC(C)C MCULE-6499043854 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.9 CN(C)CCN(C)C=O MCULE-3548074867 [0,1,0,0,0,0|2,0,0]=3 471 B8R0.21 C=CCCCC(C)(C)C MCULE-8091417826 [0,1,0,0,0,0|2,0,0]=3 472 B8R0.21 CC(C)(C)CCCCBr MCULE-3306918988 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.21 CC(C)(C)CCCCN MCULE-4696814283 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.21 CC(C)(C)CCCCO MCULE-6188842430 [0,1,0,0,0,0|1,0,2]=4 475 B8R0.21 CC(C)(C)CCOCCl MCULE-4523307391 [0,1,0,0,0,0|1,0,1]=3 476 B8R0.21 CC(C)(O)CCCCO MCULE-2749019232 [0,1,0,0,0,0|1,0,2]=4 477 B8R0.21 CC(C)(S)CCOC=O MCULE-5575032713 [0,1,0,0,0,0|0,0,0]=1 478 B8R0.21 CCCCCC(C)(C)C MCULE-4223197735 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.21 CCCCCC(C)(C)O MCULE-8173858480 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.21 CNCCCC(C)(C)C MCULE-5292331415 [0,1,0,0,0,0|3,0,0]=4 481 B8R0.21 CNCCCC(C)(C)C MCULE-7104440465 [0,1,0,0,0,0|3,0,0]=4 482 B8R0.21 C[N+](C)(C)CCNC=O MCULE-2444996406 [0,1,0,0,0,0|2,0,0]=3 483 B8R0.21 C[N+](C)(C)CCNC=O MCULE-5608803399 [0,1,0,0,0,0|2,0,0]=3 484 B8R0.21 C[Si](C)(C)CCOCCl MCULE-7486539289 [0,1,0,0,0,0|1,1,1]=4 485 B8R0.21 O=CCCCC(F)(F)F MCULE-6514804172 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,1,0,0,0,0|1,0,2]=4 487 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [0,1,0,0,0,0|2,0,0]=3 488 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,1,0,0,0,0|1,0,2]=4 489 B8R0.28 CC(=CCCC(C)C)Br MCULE-8539278626 [0,1,0,0,0,0|2,0,0]=3 490 B8R0.28 CC(=CCCC(C)N)C MCULE-4339510061 [0,1,0,0,0,0|3,0,0]=4 491 B8R0.28 CC(=CCCC(C)O)C MCULE-6046871097 [0,1,0,0,0,0|3,0,0]=4 492 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-5913564496 [0,1,0,0,0,0|3,0,0]=4 493 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-8239445037 [0,1,0,0,0,0|3,0,0]=4 494 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-3685132186 [0,1,0,0,0,0|3,0,0]=4 495 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-7339160655 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.28 CC(=O)/C=C/CC(C)C MCULE-3347834086 [0,1,0,0,0,0|1,0,1]=3 497 B8R0.28 CC(=O)C=CCC(C)C MCULE-7397904120 [0,1,0,0,0,0|1,0,1]=3 498 B8R0.28 CC(=O)CC=CC(C)C MCULE-1638476368 [0,1,0,0,0,0|1,0,2]=4 499 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,1,0,0,0,0|1,0,2]=4 500 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,1,0,0,0,0|1,0,0]=2 504 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,1,0,0,0,0|2,0,0]=3 505 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,1,0,0,0,0|1,0,1]=3 506 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [0,1,0,0,0,0|2,0,0]=3 507 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,1,0,0,0,0|2,0,0]=3 508 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,1,0,0,0,0|2,0,0]=3 509 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,1,0,0,0,0|2,0,0]=3 510 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,1,0,0,0,0|1,0,0]=2 511 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [0,1,0,0,0,0|0,0,2]=3 513 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,1,0,0,0,0|2,0,1]=4 514 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [0,1,0,0,0,0|0,0,0]=1 515 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [0,1,0,0,0,0|1,0,0]=2 516 B8R0.28 CC(=O)OCOC(=O)C MCULE-9458993444 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,1,0,0,0,0|1,0,2]=4 518 B8R0.28 CC(C)C/C=C/N(=O)=O MCULE-5334415394 [0,1,0,0,0,0|2,0,1]=4 519 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,1,0,0,0,0|1,0,2]=4 520 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,1,0,0,0,0|1,0,1]=3 521 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,1,0,0,0,0|1,0,0]=2 522 B8R0.28 CC(C)CCCC(C)N MCULE-6797729647 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.28 CC(C)CCCC(C)O MCULE-6655675430 [0,1,0,0,0,0|1,0,2]=4 524 B8R0.28 CC(C)CCCC(C)[NH3+] MCULE-1949973327 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.28 CC(C)CCCN(=O)=O MCULE-2817926193 [0,1,0,0,0,0|2,0,0]=3 526 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,1,0,0,0,0|1,0,0]=2 527 B8R0.28 CC(C)CCNC(=S)N MCULE-3531703173 [0,1,0,0,0,0|1,1,0]=3 528 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [0,1,0,0,0,0|0,0,0]=1 529 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-5735238485 [0,1,0,0,0,0|0,1,0]=2 530 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-6041602768 [0,1,0,0,0,0|0,1,0]=2 531 B8R0.28 CC(C)CCON(=O)=O MCULE-4421216319 [0,1,0,0,0,0|1,0,0]=2 532 B8R0.28 CC(C)CCSC(=N)N MCULE-2814891417 [0,1,0,0,0,0|1,1,0]=3 533 B8R0.28 CC(C)CCSC(=N)N MCULE-6341574593 [0,1,0,0,0,0|1,1,0]=3 534 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,1,0,0,0,0|2,0,0]=3 535 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,1,0,0,0,0|2,0,0]=3 536 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,1,0,0,0,0|2,0,0]=3 538 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,1,0,0,0,0|2,0,0]=3 539 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,1,0,0,0,0|2,0,0]=3 541 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,1,0,0,0,0|2,0,0]=3 542 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,1,0,0,0,0|2,0,0]=3 543 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,1,0,0,0,0|2,0,0]=3 544 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,1,0,0,0,0|2,0,0]=3 545 B8R0.28 CC(C)OCOC(C)C MCULE-4287954144 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,1,0,0,0,0|2,0,0]=3 548 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,1,0,0,0,0|2,0,1]=4 552 B8R0.28 CN(C)CC#CC(=O)O MCULE-3155038032 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.28 CN(C)CC#CC(=O)O MCULE-3234500613 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.28 CN(C)CC#CC(=O)[O-] MCULE-1783042987 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,1,0,0,0,0|2,0,0]=3 560 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.28 CN(C)CCNC(=N)N MCULE-7208545071 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [0,1,0,0,0,0|2,0,0]=3 563 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [0,1,0,0,0,0|2,0,0]=3 564 B8R0.28 CN(C)CCNC(=S)N MCULE-5710279007 [0,1,0,0,0,0|2,1,0]=4 565 B8R0.28 CN(C)CCNC(=S)N MCULE-5969623703 [0,1,0,0,0,0|2,1,0]=4 566 B8R0.28 CN(C)CCNC(=S)S MCULE-8976198252 [0,1,0,0,0,0|2,1,0]=4 567 B8R0.28 CN(C)CCNC(=S)[S-] MCULE-8751915048 [0,1,0,0,0,0|2,1,0]=4 568 B8R0.28 CN(C)CCSC(=N)N MCULE-6198414952 [0,1,0,0,0,0|2,1,0]=4 569 B8R0.28 CN(C)CCSC(=N)N MCULE-7791127793 [0,1,0,0,0,0|2,1,0]=4 570 B8R0.28 CN(C)CCSC(=N)N MCULE-9666429478 [0,1,0,0,0,0|2,1,0]=4 571 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,1,0,0,0,0|3,0,0]=4 572 B8R1.1 CC1CCC(C1)C#N MCULE-2178859708 [0,0,0,1,0,0|2,0,1]=4 573 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [0,0,0,1,0,0|1,0,0]=2 574 B8R1.1 CC1CCC(C1)CN MCULE-9731521461 [0,0,0,1,0,0|2,0,1]=4 575 B8R1.1 CC1CCC(C1)CO MCULE-3130047677 [0,0,0,1,0,0|1,0,2]=4 576 B8R1.1 CNC1CCC(C1)C MCULE-2606421374 [0,0,0,1,0,0|3,0,0]=4 577 B8R1.1 O=C[C@@H]1CC(CN1)F MCULE-5331901113 [0,0,0,1,0,0|3,0,0]=4 578 B8R1.1 O=C[C@@H]1CC(CN1)F MCULE-6102557843 [0,0,0,1,0,0|3,0,0]=4 579 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,0,0,1,0,0|2,0,0]=3 580 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,0,0,1,0,0|2,0,0]=3 581 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,0,0,1,0,0|2,0,0]=3 582 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,1,0,0|3,0,0]=4 583 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,0,0,1,0,0|1,0,2]=4 584 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,0,0,1,0,0|0,0,2]=3 585 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,0,0,1,0,0|1,0,2]=4 586 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,0,0,1,0,0|2,0,0]=3 587 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,0,0,1,0,0|2,0,0]=3 588 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,0,0,1,0,0|2,0,0]=3 589 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,0,0,1,0,0|2,0,0]=3 590 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,0,0,1,0,0|2,0,0]=3 591 B8R1.4 CC1CC(CCO1)N MCULE-6804148880 [0,0,0,1,0,0|2,0,1]=4 592 B8R1.4 CC1CC(CCO1)N MCULE-8648516718 [0,0,0,1,0,0|2,0,1]=4 593 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [0,0,0,1,0,0|2,0,1]=4 594 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,0,0,1,0,0|2,0,1]=4 595 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,1,0,0|1,0,0]=2 596 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,1,0,0|1,0,0]=2 597 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,1,0,0|2,0,0]=3 598 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,1,0,0|2,0,0]=3 599 B8R1.4 CC1CCCC(C1)Br MCULE-5316207726 [0,0,0,1,0,0|2,0,1]=4 600 B8R1.4 CC1CCCC(C1)C MCULE-4586744389 [0,0,0,1,0,0|2,0,1]=4 601 B8R1.4 CC1CCCC(C1)N MCULE-5556282713 [0,0,0,1,0,0|2,0,1]=4 602 B8R1.4 CC1CCCC(C1)N MCULE-8731144009 [0,0,0,1,0,0|2,0,1]=4 603 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [0,0,0,1,0,0|1,0,2]=4 604 B8R1.4 CC1CCCC(C1)S MCULE-6656207820 [0,0,0,1,0,0|1,1,1]=4 605 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [0,0,0,1,0,0|1,0,2]=4 606 B8R1.4 CC1CCN=C(S1)N MCULE-2188659606 [0,0,0,1,0,0|3,0,0]=4 607 B8R1.4 CC1CCN=C(S1)N MCULE-8502352820 [0,0,0,1,0,0|3,0,0]=4 608 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,0,0,1,0,0|2,0,0]=3 609 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,0,0,1,0,0|2,0,0]=3 610 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,1,0,0|1,0,0]=2 611 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,1,0,0|2,0,0]=3 612 B8R1.4 CC1CCNC(C1)C MCULE-8040810294 [0,0,0,1,0,0|2,0,1]=4 613 B8R1.4 CC1CCNC(C1)C MCULE-8404028981 [0,0,0,1,0,0|2,0,1]=4 614 B8R1.4 CC1CCOB(O1)O MCULE-4196565139 [0,0,0,1,0,0|2,0,1]=4 615 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,1,0,0|0,0,0]=1 616 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,1,0,0|1,0,0]=2 617 B8R1.4 CC1CCOC(O1)C MCULE-1813287934 [0,0,0,1,0,0|2,0,1]=4 618 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,0,0,1,0,0|2,0,0]=3 619 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,1,0,0|3,0,0]=4 620 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,1,0,0|3,0,0]=4 621 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,1,0,0|3,0,0]=4 622 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,1,0,0|3,0,0]=4 623 B8R1.4 CC1CS(=O)CCN1 MCULE-1283703183 [0,0,0,1,0,0|3,0,0]=4 624 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,0,0,1,0,0|3,0,0]=4 625 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,0,0,1,0,0|3,0,0]=4 626 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,1,0,0|2,0,0]=3 627 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,1,0,0|2,0,0]=3 628 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,1,0,0|2,0,0]=3 629 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,1,0,0|1,0,0]=2 630 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,1,0,0|1,0,0]=2 631 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,0,0,1,0,0|2,0,0]=3 632 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,0,0,1,0,0|2,0,0]=3 633 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,0,0,1,0,0|2,0,0]=3 634 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,0,0,1,0,0|2,0,0]=3 635 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,0,0,1,0,0|2,0,0]=3 636 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,0,0,1,0,0|2,0,0]=3 637 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,1,0,0|1,0,0]=2 638 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,1,0,0|1,0,0]=2 639 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,1,0,0|2,0,0]=3 640 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,1,0,0|2,0,0]=3 641 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,1,0,0|2,0,0]=3 642 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,1,0,0|2,0,0]=3 643 B8R1.4 C[C@@H]1CCC[C@@H](C1)N MCULE-4415985299 [0,0,0,1,0,0|2,0,1]=4 644 B8R1.4 C[C@@H]1CCC[C@@H](C1)N MCULE-8377118927 [0,0,0,1,0,0|2,0,1]=4 645 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [0,0,0,1,0,0|1,0,2]=4 646 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-3238245504 [0,0,0,1,0,0|2,0,1]=4 647 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-5078558305 [0,0,0,1,0,0|2,0,1]=4 648 B8R1.4 C[C@@H]1CCC[C@H](C1)N MCULE-8122076410 [0,0,0,1,0,0|2,0,1]=4 649 B8R1.4 C[C@@H]1CCC[C@H](C1)N MCULE-8755565938 [0,0,0,1,0,0|2,0,1]=4 650 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-5066686774 [0,0,0,1,0,0|3,0,0]=4 651 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-6965708093 [0,0,0,1,0,0|3,0,0]=4 652 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-1028257294 [0,0,0,1,0,0|2,0,1]=4 653 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-6672836947 [0,0,0,1,0,0|2,0,1]=4 654 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,1,0,0|3,0,0]=4 655 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,1,0,0|3,0,0]=4 656 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,1,0,0|3,0,0]=4 657 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,1,0,0|3,0,0]=4 658 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,1,0,0|3,0,0]=4 659 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,1,0,0|3,0,0]=4 660 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-5401313109 [0,0,0,1,0,0|2,0,1]=4 661 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-6369939467 [0,0,0,1,0,0|2,0,1]=4 662 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [0,0,0,1,0,0|2,0,1]=4 663 B8R1.4 C[C@@H]1C[C@H](CCO1)Br MCULE-5055630042 [0,0,0,1,0,0|2,0,1]=4 664 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-3414529082 [0,0,0,1,0,0|2,0,1]=4 665 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-9424615508 [0,0,0,1,0,0|2,0,1]=4 666 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,0,0,1,0,0|2,0,0]=3 667 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,0,0,1,0,0|2,0,0]=3 668 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,0,0,1,0,0|2,0,0]=3 669 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,0,0,1,0,0|2,0,0]=3 670 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,0,0,1,0,0|2,0,0]=3 671 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,0,0,1,0,0|2,0,0]=3 672 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,0,0,1,0,0|2,0,0]=3 673 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,1,0,0|1,0,0]=2 674 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,1,0,0|1,0,0]=2 675 B8R1.4 C[C@H]1CCC[C@H](C1)C MCULE-7889833647 [0,0,0,1,0,0|2,0,1]=4 676 B8R1.4 C[C@H]1CCC[C@H](C1)N MCULE-5054508849 [0,0,0,1,0,0|2,0,1]=4 677 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [0,0,0,1,0,0|1,0,2]=4 678 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,1,0,0|1,0,0]=2 679 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-3280721182 [0,0,0,1,0,0|2,0,1]=4 680 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-4356238844 [0,0,0,1,0,0|2,0,1]=4 681 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,1,0,0|3,0,0]=4 682 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,1,0,0|3,0,0]=4 683 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,1,0,0|3,0,0]=4 684 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,1,0,0|3,0,0]=4 685 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,1,0,0|3,0,0]=4 686 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,1,0,0|3,0,0]=4 687 B8R1.4 C[C@H]1C[C@@H](CCO1)N MCULE-1731421927 [0,0,0,1,0,0|2,0,1]=4 688 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [0,0,0,1,0,0|2,0,1]=4 689 B8R1.4 C[C@H]1C[C@H](CCO1)N MCULE-6954386064 [0,0,0,1,0,0|2,0,1]=4 690 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [0,0,0,1,0,0|2,0,1]=4 691 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,1,0,0|2,0,0]=3 692 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,1,0,0|2,0,0]=3 693 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,1,0,0|2,0,0]=3 694 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,1,0,0|2,0,0]=3 695 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,1,0,0|2,0,0]=3 696 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,1,0,0|2,0,0]=3 697 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,1,0,0|3,0,0]=4 698 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,1,0,0|3,0,0]=4 699 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,1,0,0|2,0,0]=3 700 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,1,0,0|2,0,0]=3 701 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,1,0,0|3,0,0]=4 702 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,1,0,0|3,0,0]=4 703 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,1,0,0|2,0,0]=3 704 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,1,0,0|2,0,0]=3 705 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,1,0,0|2,0,0]=3 706 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,1,0,0|2,0,0]=3 707 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,1,0,0|2,0,0]=3 708 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,1,0,0|2,0,0]=3 709 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,1,0,0|2,0,0]=3 710 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,1,0,0|2,0,0]=3 711 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,0,0,1,0,0|2,0,1]=4 712 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,1,0,0|2,0,0]=3 713 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,1,0,0|2,0,0]=3 714 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,0,0,1,0,0|2,0,1]=4 715 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,0,0,1,0,0|1,0,1]=3 716 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,1,0,0|3,0,0]=4 717 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,1,0,0|2,0,0]=3 718 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,1,0,0|2,0,0]=3 719 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,1,0,0|2,0,0]=3 720 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,1,0,0|2,0,0]=3 721 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,1,0,0|2,0,0]=3 722 B8R1.4 [C@@H]1(CCC[C@@H](C1)N)C MCULE-3863430976 [0,0,0,1,0,0|2,0,1]=4 723 B8R1.6 CC1CC(C1)CCN MCULE-6679136469 [0,0,0,1,0,0|2,0,1]=4 724 B8R1.6 CC1CC(C1)CCN MCULE-9324415345 [0,0,0,1,0,0|2,0,1]=4 725 B8R1.6 CC1CC(C1)CNN MCULE-2726365720 [0,0,0,1,0,0|3,0,0]=4 726 B8R1.6 CC1CC(C1)CNN MCULE-9869255835 [0,0,0,1,0,0|3,0,0]=4 727 B8R1.6 CCOC1CC(C1)Br MCULE-1149124255 [0,0,0,1,0,0|2,0,1]=4 728 B8R1.6 CCOC1CC(C1)N MCULE-1603808660 [0,0,0,1,0,0|2,0,1]=4 729 B8R1.6 CCOC1CC(C1)N MCULE-9465473117 [0,0,0,1,0,0|2,0,1]=4 730 B8R1.6 CCOC1CC(C1)O MCULE-6259730085 [0,0,0,1,0,0|2,0,1]=4 731 B8R1.6 CCO[C@H]1C[C@@H](C1)Br MCULE-2180008036 [0,0,0,1,0,0|2,0,1]=4 732 B8R1.6 CCO[C@H]1C[C@@H](C1)N MCULE-3367670888 [0,0,0,1,0,0|2,0,1]=4 733 B8R1.6 CCO[C@H]1C[C@@H](C1)N MCULE-7662373206 [0,0,0,1,0,0|2,0,1]=4 734 B8R1.6 CCO[C@H]1C[C@H](C1)N MCULE-3055268241 [0,0,0,1,0,0|2,0,1]=4 735 B8R1.6 CCO[C@H]1C[C@H](C1)N MCULE-9739293972 [0,0,0,1,0,0|2,0,1]=4 736 B8R1.7 C1(CCCN1)C(C)C MCULE-1193597619 [0,0,0,1,0,0|2,0,1]=4 737 B8R1.7 C1(CCCN1)C(C)C MCULE-5005043134 [0,0,0,1,0,0|2,0,1]=4 738 B8R1.7 CC(C)C1=COC=N1 MCULE-2962516918 [0,0,0,1,0,0|1,0,2]=4 739 B8R1.7 CC(C)C1C=CCN1 MCULE-4597584123 [0,0,0,1,0,0|3,0,0]=4 740 B8R1.7 CC(C)C1C=CCN1 MCULE-9266541749 [0,0,0,1,0,0|3,0,0]=4 741 B8R1.7 CC(C)C1CCCC1 MCULE-4905120936 [0,0,0,1,0,0|2,0,1]=4 742 B8R1.7 CC(C)C1CCCN1 MCULE-2880698089 [0,0,0,1,0,0|2,0,1]=4 743 B8R1.7 CC(C)C1CCCN1 MCULE-8748321913 [0,0,0,1,0,0|2,0,1]=4 744 B8R1.7 CC(C)C1CCNC1 MCULE-6027927433 [0,0,0,1,0,0|2,0,1]=4 745 B8R1.7 CC(C)C1CCNC1 MCULE-6061191970 [0,0,0,1,0,0|2,0,1]=4 746 B8R1.7 CC(C)[C@@H]1CCCN1 MCULE-1080192326 [0,0,0,1,0,0|2,0,1]=4 747 B8R1.7 CC(C)[C@@H]1CCCN1 MCULE-7041423474 [0,0,0,1,0,0|2,0,1]=4 748 B8R1.7 CC(C)[C@@H]1CCCN1 MCULE-8923460014 [0,0,0,1,0,0|2,0,1]=4 749 B8R1.7 CC(C)[C@@H]1CCCN1 MCULE-9332303275 [0,0,0,1,0,0|2,0,1]=4 750 B8R1.7 CC(C)[C@@H]1CCNC1 MCULE-1312856988 [0,0,0,1,0,0|2,0,1]=4 751 B8R1.7 CC(C)[C@@H]1CCNC1 MCULE-1454315799 [0,0,0,1,0,0|2,0,1]=4 752 B8R1.7 CC(C)[C@@H]1CCNC1 MCULE-3512426569 [0,0,0,1,0,0|2,0,1]=4 753 B8R1.7 CC(C)[C@@H]1CCNC1 MCULE-8210117113 [0,0,0,1,0,0|2,0,1]=4 754 B8R1.7 CC(C)[C@H]1CCCN1 MCULE-2217061634 [0,0,0,1,0,0|2,0,1]=4 755 B8R1.7 CC(C)[C@H]1CCCN1 MCULE-7316037645 [0,0,0,1,0,0|2,0,1]=4 756 B8R1.7 CC(C)[C@H]1CCCN1 MCULE-7382792334 [0,0,0,1,0,0|2,0,1]=4 757 B8R1.7 CC(C)[C@H]1CCCN1 MCULE-9823510614 [0,0,0,1,0,0|2,0,1]=4 758 B8R1.7 CC(C)[C@H]1CCNC1 MCULE-6484346598 [0,0,0,1,0,0|2,0,1]=4 759 B8R1.7 CC(C)[C@H]1CCNC1 MCULE-7637885012 [0,0,0,1,0,0|2,0,1]=4 760 B8R1.7 CC(N)C1CCOC1 MCULE-4437147688 [0,0,0,1,0,0|2,0,1]=4 761 B8R1.7 CC(N)C1CCOC1 MCULE-5608990827 [0,0,0,1,0,0|2,0,1]=4 762 B8R1.7 CC(O)C1CCOC1 MCULE-1059653145 [0,0,0,1,0,0|2,0,1]=4 763 B8R1.7 C[C@H](O)C1CCOC1 MCULE-9092941508 [0,0,0,1,0,0|2,0,1]=4 764 B8R1.7 [C@@H]1(CCNC1)C(C)C MCULE-4130251176 [0,0,0,1,0,0|2,0,1]=4 765 B8R1.7 [C@@H]1(CCNC1)C(C)C MCULE-9716712888 [0,0,0,1,0,0|2,0,1]=4 766 B8R1.19 CC1(CC=CC1=O)C MCULE-5478168383 [0,0,0,1,0,0|1,0,1]=3 767 B8R1.19 CC1(CCC=N1=O)C MCULE-3270262370 [0,0,0,1,0,0|2,0,0]=3 768 B8R1.19 CC1(CCCC1=O)C MCULE-2010694408 [0,0,0,1,0,0|1,0,0]=2 769 B8R1.19 CC1(CCCC1=O)F MCULE-5382994089 [0,0,0,1,0,0|2,0,0]=3 770 B8R1.19 CC1(CCCC1Br)C MCULE-7575471396 [0,0,0,1,0,0|2,0,1]=4 771 B8R1.19 CC1(CCCC1N)C MCULE-5921379560 [0,0,0,1,0,0|2,0,1]=4 772 B8R1.19 CC1(CCCC1N)C MCULE-8867080038 [0,0,0,1,0,0|2,0,1]=4 773 B8R1.19 CC1(CCCC1O)C MCULE-4878410443 [0,0,0,1,0,0|1,0,2]=4 774 B8R1.19 CC1(CCC[C@@H]1N)C MCULE-2097025606 [0,0,0,1,0,0|2,0,1]=4 775 B8R1.19 CC1(CCC[C@@H]1O)C MCULE-9402548740 [0,0,0,1,0,0|1,0,2]=4 776 B8R1.19 CC1(CCC[C@H]1O)C MCULE-3856604720 [0,0,0,1,0,0|1,0,2]=4 777 B8R1.19 CC1(CCN=C1S)C MCULE-9605141691 [0,0,0,1,0,0|1,1,0]=3 778 B8R1.19 CC1(CCNC1=O)C MCULE-6714447777 [0,0,0,1,0,0|1,0,0]=2 779 B8R1.19 CC1(CCNC1=O)C MCULE-7206545498 [0,0,0,1,0,0|1,0,0]=2 780 B8R1.19 CC1(CCNC1=O)N MCULE-2999548291 [0,0,0,1,0,0|2,0,0]=3 781 B8R1.19 CC1(CCNC1=O)O MCULE-2802989638 [0,0,0,1,0,0|2,0,0]=3 782 B8R1.19 CC1(CCOC1=O)Br MCULE-3061445898 [0,0,0,1,0,0|1,0,0]=2 783 B8R1.19 CC1(CCOC1=O)C MCULE-4294599964 [0,0,0,1,0,0|0,0,0]=1 784 B8R1.19 CC1(CCOC1=O)N MCULE-5332143573 [0,0,0,1,0,0|1,0,0]=2 785 B8R1.19 CC1(CCOC1=O)N MCULE-6557455932 [0,0,0,1,0,0|1,0,0]=2 786 B8R1.19 CC1(COCC1=O)C MCULE-8148059071 [0,0,0,1,0,0|2,0,0]=3 787 B8R1.19 CC1(CONC1=O)C MCULE-5889106208 [0,0,0,1,0,0|2,0,0]=3 788 B8R1.19 CC1(NCCC1=O)C MCULE-1973849102 [0,0,0,1,0,0|2,0,0]=3 789 B8R1.19 CC1(NCCC1=O)C MCULE-6763568764 [0,0,0,1,0,0|2,0,0]=3 790 B8R1.19 CC1(OC=CC1=O)C MCULE-4109921623 [0,0,0,1,0,0|2,0,1]=4 791 B8R1.19 CC1(OCCC1=O)C MCULE-3204846453 [0,0,0,1,0,0|2,0,0]=3 792 B8R1.19 CC1NCCC1(C)C MCULE-1624409407 [0,0,0,1,0,0|2,0,1]=4 793 B8R1.19 CC1NCCC1(C)C MCULE-5796908595 [0,0,0,1,0,0|2,0,1]=4 794 B8R1.19 CC1OCCC1(C)N MCULE-3604874294 [0,0,0,1,0,0|2,0,1]=4 795 B8R1.19 O=C1CCCC1(F)F MCULE-7191261042 [0,0,0,1,0,0|3,0,0]=4 796 B8R1.19 O=C1NCCC1(F)F MCULE-6135502988 [0,0,0,1,0,0|3,0,0]=4 797 B8R1.22 BrC1CCCOCC1 MCULE-4342557066 [0,0,0,1,0,0|2,0,1]=4 798 B8R1.22 CC1CCCCNC1 MCULE-4872471007 [0,0,0,1,0,0|2,0,1]=4 799 B8R1.22 CC1CCCCNC1 MCULE-6320007925 [0,0,0,1,0,0|2,0,1]=4 800 B8R1.22 CC1CCCNCC1 MCULE-1361067252 [0,0,0,1,0,0|2,0,1]=4 801 B8R1.22 CC1CCCNCC1 MCULE-8866871990 [0,0,0,1,0,0|2,0,1]=4 802 B8R1.22 CC1CCOCCN1 MCULE-5979047775 [0,0,0,1,0,0|2,0,1]=4 803 B8R1.22 CC1CCOCCN1 MCULE-7762447328 [0,0,0,1,0,0|2,0,1]=4 804 B8R1.22 NC1CCC=CCC1 MCULE-6008496939 [0,0,0,1,0,0|3,0,0]=4 805 B8R1.22 NC1CCC=CCC1 MCULE-9914443406 [0,0,0,1,0,0|3,0,0]=4 806 B8R1.22 NC1CCCOCC1 MCULE-2817475859 [0,0,0,1,0,0|2,0,1]=4 807 B8R1.22 OC1CCCOCC1 MCULE-6712544119 [0,0,0,1,0,0|2,0,1]=4 808 B8R1.27 CC1(CC1CCO)C MCULE-7855895874 [0,0,0,1,0,0|1,0,2]=4 809 B8R1.27 CNCC1CC1(C)C MCULE-3920038548 [0,0,0,1,0,0|3,0,0]=4 810 B8R1.27 CNCC1CC1(C)C MCULE-7562222406 [0,0,0,1,0,0|3,0,0]=4 811 B8R1.31 CC(C)C1CCC1=O MCULE-1869737626 [0,0,0,1,0,0|1,0,0]=2 812 B8R1.34 CC(C)CC1CNC1 MCULE-2238480474 [0,0,0,1,0,0|3,0,0]=4 813 B8R1.34 CC(C)CC1CNC1 MCULE-8814893863 [0,0,0,1,0,0|3,0,0]=4 814 B8R1.35 CC(C)CCC1CO1 MCULE-8370319949 [0,0,0,1,0,0|1,0,2]=4 815 B8R1.36 BrCCCCC1CC1 MCULE-7569356786 [0,0,0,1,0,0|2,0,1]=4 816 B8R1.36 C=CCNCC1CC1 MCULE-4173667604 [0,0,0,1,0,0|3,0,0]=4 817 B8R1.36 CCNCCC1CC1 MCULE-4405308784 [0,0,0,1,0,0|2,0,1]=4 818 B8R1.36 CCOCCC1CO1 MCULE-4127738686 [0,0,0,1,0,0|2,0,1]=4 819 B8R1.36 NCCCCC1CC1 MCULE-8530038799 [0,0,0,1,0,0|2,0,1]=4 820 B8R1.36 O=CCCCC1CC1 MCULE-4652283620 [0,0,0,1,0,0|1,0,0]=2 821 B8R1.36 OCCCCC1CC1 MCULE-6334640431 [0,0,0,1,0,0|1,0,2]=4 822 B8R1.43 CC(C)C1CC1CN MCULE-5579657288 [0,0,0,1,0,0|2,0,1]=4 823 B8R1.43 CC(C)C1CC1CO MCULE-2405752880 [0,0,0,1,0,0|1,0,2]=4 824 B8R1.43 CC(C)[C@H]1C[C@H]1CN MCULE-3866236208 [0,0,0,1,0,0|2,0,1]=4 825 B8R1.43 CC(C)[C@H]1C[C@H]1CN MCULE-4340558868 [0,0,0,1,0,0|2,0,1]=4 826 B8R1.48 CC1(CCC1C=O)C MCULE-7554232893 [0,0,0,1,0,0|1,0,0]=2 827 B8R1.48 CC1(CCC1CO)C MCULE-4983182049 [0,0,0,1,0,0|1,0,2]=4 828 B8R1.72 CC1(CC=CCC1)N MCULE-5975225665 [0,0,0,1,0,0|3,0,0]=4 829 B8R1.72 CC1(CC=CCC1)N MCULE-9925004500 [0,0,0,1,0,0|3,0,0]=4 830 B8R1.72 CC1(CCCCC1)C MCULE-1034948429 [0,0,0,1,0,0|2,0,1]=4 831 B8R1.72 CC1(CCCCN1)C MCULE-2685191354 [0,0,0,1,0,0|2,0,1]=4 832 B8R1.72 CC1(CCCCN1)C MCULE-5186772635 [0,0,0,1,0,0|2,0,1]=4 833 B8R1.72 CC1(CCCNC1)C MCULE-1520606122 [0,0,0,1,0,0|3,0,0]=4 834 B8R1.72 CC1(CCCNC1)C MCULE-1566131847 [0,0,0,1,0,0|3,0,0]=4 835 B8R1.72 CC1(CCNCC1)C MCULE-7337251134 [0,0,0,1,0,0|2,0,1]=4 836 B8R1.72 CC1(CCNCC1)C MCULE-8963260224 [0,0,0,1,0,0|2,0,1]=4 837 B8R1.72 CC1(CCOCC1)Br MCULE-5432776276 [0,0,0,1,0,0|2,0,1]=4 838 B8R1.72 CC1(CCOCC1)N MCULE-3034294114 [0,0,0,1,0,0|2,0,1]=4 839 B8R1.72 CC1(CCOCC1)N MCULE-3421238451 [0,0,0,1,0,0|2,0,1]=4 840 B8R1.72 CC1(CCOCC1)O MCULE-8543825418 [0,0,0,1,0,0|2,0,1]=4 841 B8R1.72 CC1(CCOCO1)C MCULE-7025894167 [0,0,0,1,0,0|0,0,2]=3 842 B8R1.72 C[N+]1(CCOCC1)C MCULE-1342822828 [0,0,0,1,0,0|2,0,1]=4 843 B8R1.72 C[N+]1(CCOCC1)C MCULE-1523317682 [0,0,0,1,0,0|2,0,1]=4 844 B8R1.72 C[N+]1(CCOCC1)C MCULE-9524802069 [0,0,0,1,0,0|2,0,1]=4 845 B5R0.1 C#CCC(C)C MCULE-2506063278 [2,0,0,0,0,0|0,0,2]=4 846 B5R0.1 C(C)(N)CCC MCULE-4800297905 [2,0,0,0,0,0|1,0,1]=4 847 B5R0.1 C(C)(N)CCC MCULE-7674864567 [2,0,0,0,0,0|1,0,1]=4 848 B5R0.1 C(C)(N)CCO MCULE-5545469271 [2,0,0,0,0,0|1,0,0]=3 849 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [2,0,0,0,0,0|1,0,1]=4 850 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|0,0,2]=4 851 B5R0.1 C=CCC(C)Br MCULE-5638987302 [2,0,0,0,0,0|1,0,1]=4 852 B5R0.1 C=CCC(C)C MCULE-4586731422 [2,0,0,0,0,0|0,0,1]=3 853 B5R0.1 C=CCC(C)N MCULE-5354228552 [2,0,0,0,0,0|1,0,1]=4 854 B5R0.1 C=CCC(C)N MCULE-9454660067 [2,0,0,0,0,0|1,0,1]=4 855 B5R0.1 C=CCC(C)O MCULE-7724200334 [2,0,0,0,0,0|1,0,1]=4 856 B5R0.1 C=CCC(C)O MCULE-9910771503 [2,0,0,0,0,0|1,0,1]=4 857 B5R0.1 C=CCN(C)C MCULE-6958853335 [2,0,0,0,0,0|1,0,1]=4 858 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [2,0,0,0,0,0|1,0,1]=4 859 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [2,0,0,0,0,0|1,0,1]=4 860 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [2,0,0,0,0,0|1,0,1]=4 861 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [2,0,0,0,0,0|1,0,1]=4 862 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [2,0,0,0,0,0|1,0,1]=4 863 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [2,0,0,0,0,0|1,0,1]=4 864 B5R0.1 C=COC(C)C MCULE-6339383821 [2,0,0,0,0,0|1,0,0]=3 865 B5R0.1 CC(=CC=O)C MCULE-7002222435 [2,0,0,0,0,0|0,0,2]=4 866 B5R0.1 CC(=CCO)C MCULE-3984123588 [2,0,0,0,0,0|0,0,2]=4 867 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|1,0,1]=4 868 B5R0.1 CC(Br)CCBr MCULE-1045475402 [2,0,0,0,0,0|2,0,0]=4 869 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [2,0,0,0,0,0|1,0,1]=4 870 B5R0.1 CC(C)C=NO MCULE-9842574696 [2,0,0,0,0,0|1,0,1]=4 871 B5R0.1 CC(C)CC#N MCULE-4346986727 [2,0,0,0,0,0|1,0,1]=4 872 B5R0.1 CC(C)CC=O MCULE-2939497534 [2,0,0,0,0,0|0,0,0]=2 873 B5R0.1 CC(C)CCBr MCULE-7163010428 [2,0,0,0,0,0|1,0,0]=3 874 B5R0.1 CC(C)CCCl MCULE-8360122696 [2,0,0,0,0,0|1,0,0]=3 875 B5R0.1 CC(C)CCCl MCULE-9017922949 [2,0,0,0,0,0|1,0,0]=3 876 B5R0.1 CC(C)CCI MCULE-4934529500 [2,0,0,0,0,0|1,0,0]=3 877 B5R0.1 CC(C)CCN MCULE-3081003576 [2,0,0,0,0,0|1,0,0]=3 878 B5R0.1 CC(C)CCN MCULE-5118782389 [2,0,0,0,0,0|1,0,0]=3 879 B5R0.1 CC(C)CCN MCULE-5217981670 [2,0,0,0,0,0|1,0,0]=3 880 B5R0.1 CC(C)CCN MCULE-6280940933 [2,0,0,0,0,0|1,0,0]=3 881 B5R0.1 CC(C)CCO MCULE-7411270401 [2,0,0,0,0,0|0,0,0]=2 882 B5R0.1 CC(C)CCS MCULE-7115473363 [2,0,0,0,0,0|0,1,0]=3 883 B5R0.1 CC(C)CNN MCULE-6797887001 [2,0,0,0,0,0|2,0,0]=4 884 B5R0.1 CC(C)CNN MCULE-9592971233 [2,0,0,0,0,0|2,0,0]=4 885 B5R0.1 CC(C)CNN MCULE-9725792452 [2,0,0,0,0,0|2,0,0]=4 886 B5R0.1 CC(C)CON MCULE-3476786246 [2,0,0,0,0,0|1,0,0]=3 887 B5R0.1 CC(C)CON MCULE-4450654727 [2,0,0,0,0,0|1,0,0]=3 888 B5R0.1 CC(C)N=C=O MCULE-8392299675 [2,0,0,0,0,0|1,0,1]=4 889 B5R0.1 CC(C)NC=O MCULE-1764010394 [2,0,0,0,0,0|1,0,0]=3 890 B5R0.1 CC(C)OC=O MCULE-8263698122 [2,0,0,0,0,0|0,0,0]=2 891 B5R0.1 CC(C)OCCl MCULE-3680602217 [2,0,0,0,0,0|1,0,1]=4 892 B5R0.1 CC(C)SCCl MCULE-3836735379 [2,0,0,0,0,0|2,0,0]=4 893 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [2,0,0,0,0,0|2,0,0]=4 894 B5R0.1 CC(Cl)CCO MCULE-1955496242 [2,0,0,0,0,0|1,0,0]=3 895 B5R0.1 CC(F)CCBr MCULE-3035340901 [2,0,0,0,0,0|2,0,0]=4 896 B5R0.1 CC(F)CCI MCULE-6469250150 [2,0,0,0,0,0|2,0,0]=4 897 B5R0.1 CC(F)CCN MCULE-2805813131 [2,0,0,0,0,0|2,0,0]=4 898 B5R0.1 CC(F)CCN MCULE-5849913362 [2,0,0,0,0,0|2,0,0]=4 899 B5R0.1 CC(N)CCN MCULE-5308134596 [2,0,0,0,0,0|2,0,0]=4 900 B5R0.1 CC(N)CCN MCULE-5880045507 [2,0,0,0,0,0|2,0,0]=4 901 B5R0.1 CC(N)CCN MCULE-7827515430 [2,0,0,0,0,0|2,0,0]=4 902 B5R0.1 CC(N)CCO MCULE-1771399942 [2,0,0,0,0,0|1,0,0]=3 903 B5R0.1 CC(N)CCO MCULE-7239872808 [2,0,0,0,0,0|1,0,0]=3 904 B5R0.1 CC(O)CCBr MCULE-7983169885 [2,0,0,0,0,0|2,0,0]=4 905 B5R0.1 CC(O)CCCl MCULE-2952545606 [2,0,0,0,0,0|2,0,0]=4 906 B5R0.1 CC(O)CCN MCULE-6836791276 [2,0,0,0,0,0|2,0,0]=4 907 B5R0.1 CC(O)CCN MCULE-7186260925 [2,0,0,0,0,0|2,0,0]=4 908 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|1,0,0]=3 909 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|1,0,0]=3 910 B5R0.1 CC(O)CON MCULE-1051091134 [2,0,0,0,0,0|2,0,0]=4 911 B5R0.1 CC(O)CON MCULE-6722092589 [2,0,0,0,0,0|2,0,0]=4 912 B5R0.1 CC(S)CCO MCULE-5702212503 [2,0,0,0,0,0|1,0,0]=3 913 B5R0.1 CC=CC(C)C MCULE-9898453837 [2,0,0,0,0,0|1,0,1]=4 914 B5R0.1 CCCC(C)Br MCULE-3178073667 [2,0,0,0,0,0|1,0,1]=4 915 B5R0.1 CCCC(C)C MCULE-9604552974 [2,0,0,0,0,0|0,0,1]=3 916 B5R0.1 CCCC(C)N MCULE-2640298430 [2,0,0,0,0,0|1,0,1]=4 917 B5R0.1 CCCC(C)N MCULE-7225905167 [2,0,0,0,0,0|1,0,1]=4 918 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,1]=4 919 B5R0.1 CCCC(C)S MCULE-1649095713 [2,0,0,0,0,0|1,0,1]=4 920 B5R0.1 CCCN(C)C MCULE-8702643596 [2,0,0,0,0,0|1,0,1]=4 921 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [2,0,0,0,0,0|1,0,1]=4 922 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [2,0,0,0,0,0|1,0,1]=4 923 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [2,0,0,0,0,0|1,0,1]=4 924 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [2,0,0,0,0,0|1,0,1]=4 925 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,1]=4 926 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [2,0,0,0,0,0|1,0,1]=4 927 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [2,0,0,0,0,0|1,0,1]=4 928 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [2,0,0,0,0,0|1,0,1]=4 929 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [2,0,0,0,0,0|1,0,1]=4 930 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,1]=4 931 B5R0.1 CCNC(C)C MCULE-8064118469 [2,0,0,0,0,0|1,0,1]=4 932 B5R0.1 CCOC(C)C MCULE-1934548340 [2,0,0,0,0,0|1,0,1]=4 933 B5R0.1 CCSC(C)C MCULE-3738251898 [2,0,0,0,0,0|1,0,1]=4 934 B5R0.1 CN(C)CC=O MCULE-1229218563 [2,0,0,0,0,0|1,0,0]=3 935 B5R0.1 CN(C)CC=O MCULE-3577561950 [2,0,0,0,0,0|1,0,0]=3 936 B5R0.1 CN(C)CC=O MCULE-4493766862 [2,0,0,0,0,0|1,0,0]=3 937 B5R0.1 CN(C)CC=O MCULE-8123455398 [2,0,0,0,0,0|1,0,0]=3 938 B5R0.1 CN(C)CCBr MCULE-4844398053 [2,0,0,0,0,0|2,0,0]=4 939 B5R0.1 CN(C)CCCl MCULE-4297554717 [2,0,0,0,0,0|2,0,0]=4 940 B5R0.1 CN(C)CCCl MCULE-4465544992 [2,0,0,0,0,0|2,0,0]=4 941 B5R0.1 CN(C)CCI MCULE-4687894526 [2,0,0,0,0,0|2,0,0]=4 942 B5R0.1 CN(C)CCI MCULE-7464680246 [2,0,0,0,0,0|2,0,0]=4 943 B5R0.1 CN(C)CCI MCULE-9051868668 [2,0,0,0,0,0|2,0,0]=4 944 B5R0.1 CN(C)CCN MCULE-6693759372 [2,0,0,0,0,0|2,0,0]=4 945 B5R0.1 CN(C)CCN MCULE-6929925748 [2,0,0,0,0,0|2,0,0]=4 946 B5R0.1 CN(C)CCN MCULE-7881547574 [2,0,0,0,0,0|2,0,0]=4 947 B5R0.1 CN(C)CCO MCULE-5715813465 [2,0,0,0,0,0|1,0,0]=3 948 B5R0.1 CN(C)CCO MCULE-7567469160 [2,0,0,0,0,0|1,0,0]=3 949 B5R0.1 CN(C)CCO MCULE-9024108074 [2,0,0,0,0,0|1,0,0]=3 950 B5R0.1 CN(C)CCS MCULE-4356815596 [2,0,0,0,0,0|1,1,0]=4 951 B5R0.1 CN(C)CCS MCULE-4611688723 [2,0,0,0,0,0|1,1,0]=4 952 B5R0.1 CN(C)CCS MCULE-6259585517 [2,0,0,0,0,0|1,1,0]=4 953 B5R0.1 CN(C)NC=O MCULE-1557896286 [2,0,0,0,0,0|2,0,0]=4 954 B5R0.1 CNCC(C)C MCULE-6582386339 [2,0,0,0,0,0|1,0,1]=4 955 B5R0.1 CNCC(C)C MCULE-6856717783 [2,0,0,0,0,0|1,0,1]=4 956 B5R0.1 COCC(C)Br MCULE-6850689931 [2,0,0,0,0,0|1,0,1]=4 957 B5R0.1 COCC(C)I MCULE-8608265714 [2,0,0,0,0,0|1,0,1]=4 958 B5R0.1 COCC(C)N MCULE-1896873634 [2,0,0,0,0,0|1,0,1]=4 959 B5R0.1 COCC(C)N MCULE-2549420211 [2,0,0,0,0,0|1,0,1]=4 960 B5R0.1 COCC(C)N MCULE-3490410444 [2,0,0,0,0,0|1,0,1]=4 961 B5R0.1 COCC(C)N MCULE-7089888882 [2,0,0,0,0,0|1,0,1]=4 962 B5R0.1 COCC(C)O MCULE-4022733014 [2,0,0,0,0,0|1,0,1]=4 963 B5R0.1 COCC(C)O MCULE-7513310960 [2,0,0,0,0,0|1,0,1]=4 964 B5R0.1 COCN(C)C MCULE-1963225930 [2,0,0,0,0,0|1,0,1]=4 965 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [2,0,0,0,0,0|1,0,1]=4 966 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [2,0,0,0,0,0|1,0,1]=4 967 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [2,0,0,0,0,0|1,0,1]=4 968 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [2,0,0,0,0,0|1,0,1]=4 969 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [2,0,0,0,0,0|1,0,1]=4 970 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [2,0,0,0,0,0|1,0,1]=4 971 B5R0.1 COC[C@H](C)N MCULE-2465679418 [2,0,0,0,0,0|1,0,1]=4 972 B5R0.1 COC[C@H](C)N MCULE-2998593539 [2,0,0,0,0,0|1,0,1]=4 973 B5R0.1 COC[C@H](C)N MCULE-3161045661 [2,0,0,0,0,0|1,0,1]=4 974 B5R0.1 COC[C@H](C)N MCULE-9550165578 [2,0,0,0,0,0|1,0,1]=4 975 B5R0.1 COC[C@H](C)O MCULE-5908531683 [2,0,0,0,0,0|1,0,1]=4 976 B5R0.1 COC[C@H](C)O MCULE-8619138238 [2,0,0,0,0,0|1,0,1]=4 977 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|2,0,0]=4 978 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [2,0,0,0,0,0|1,0,0]=3 979 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [2,0,0,0,0,0|1,0,0]=3 980 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [2,0,0,0,0,0|2,0,0]=4 981 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [2,0,0,0,0,0|2,0,0]=4 982 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [2,0,0,0,0,0|2,0,0]=4 983 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [2,0,0,0,0,0|2,0,0]=4 984 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|1,0,0]=3 985 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|1,0,0]=3 986 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [2,0,0,0,0,0|2,0,0]=4 987 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [2,0,0,0,0,0|2,0,0]=4 988 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [2,0,0,0,0,0|1,0,0]=3 989 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [2,0,0,0,0,0|1,0,0]=3 990 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [2,0,0,0,0,0|1,0,0]=3 991 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [2,0,0,0,0,0|1,0,0]=3 992 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [2,0,0,0,0,0|2,0,0]=4 993 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [2,0,0,0,0,0|2,0,0]=4 994 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|1,0,0]=3 995 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|1,0,0]=3 996 B5R0.1 C[C@H](O)CON MCULE-4216605221 [2,0,0,0,0,0|2,0,0]=4 997 B5R0.1 C[C@H](O)CON MCULE-9863094719 [2,0,0,0,0,0|2,0,0]=4 998 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [2,0,0,0,0,0|2,0,0]=4 999 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [2,0,0,0,0,0|2,0,0]=4 1000 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [2,0,0,0,0,0|2,0,0]=4 1001 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|2,0,0]=4 1002 B5R0.1 OCCC(F)F MCULE-9207688926 [2,0,0,0,0,0|2,0,0]=4 1003 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,1]=4 1004 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,1]=4 1005 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|0,0,2]=4 1006 B5R0.2 C#CCCCC MCULE-5706969297 [2,0,0,0,0,0|1,0,1]=4 1007 B5R0.2 C/C=C/CCC MCULE-9851656818 [2,0,0,0,0,0|1,0,1]=4 1008 B5R0.2 C/C=C\CCC MCULE-1013657748 [2,0,0,0,0,0|1,0,1]=4 1009 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|0,0,2]=4 1010 B5R0.2 C=CCCCBr MCULE-5027518679 [2,0,0,0,0,0|2,0,0]=4 1011 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|1,0,0]=3 1012 B5R0.2 C=CCCCCl MCULE-3877430809 [2,0,0,0,0,0|2,0,0]=4 1013 B5R0.2 C=CCCCI MCULE-8692831514 [2,0,0,0,0,0|2,0,0]=4 1014 B5R0.2 C=CCCCN MCULE-5787926547 [2,0,0,0,0,0|2,0,0]=4 1015 B5R0.2 C=CCCCN MCULE-7346989227 [2,0,0,0,0,0|2,0,0]=4 1016 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|2,0,0]=4 1017 B5R0.2 C=CCCNC MCULE-2124263362 [2,0,0,0,0,0|2,0,0]=4 1018 B5R0.2 C=CCCNC MCULE-5024925990 [2,0,0,0,0,0|2,0,0]=4 1019 B5R0.2 C=CCCOC MCULE-4681354270 [2,0,0,0,0,0|2,0,0]=4 1020 B5R0.2 C=CCNCC MCULE-6987567673 [2,0,0,0,0,0|2,0,0]=4 1021 B5R0.2 C=CCNCC MCULE-8318544337 [2,0,0,0,0,0|2,0,0]=4 1022 B5R0.2 C=CCOC=O MCULE-4161785970 [2,0,0,0,0,0|0,0,2]=4 1023 B5R0.2 C=CCOCC MCULE-4363356618 [2,0,0,0,0,0|2,0,0]=4 1024 B5R0.2 C=CCSCC MCULE-3816911529 [2,0,0,0,0,0|2,0,0]=4 1025 B5R0.2 C=COCCC MCULE-4423853666 [2,0,0,0,0,0|1,0,0]=3 1026 B5R0.2 C=COCCCl MCULE-7782311030 [2,0,0,0,0,0|2,0,0]=4 1027 B5R0.2 C=COCCN MCULE-8052872924 [2,0,0,0,0,0|2,0,0]=4 1028 B5R0.2 C=COCCN MCULE-8496820259 [2,0,0,0,0,0|2,0,0]=4 1029 B5R0.2 C=COCCO MCULE-9383372818 [2,0,0,0,0,0|2,0,0]=4 1030 B5R0.2 CC#CCC=O MCULE-6071390808 [2,0,0,0,0,0|0,0,2]=4 1031 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|0,0,2]=4 1032 B5R0.2 CC=CCCC MCULE-8736231124 [2,0,0,0,0,0|1,0,1]=4 1033 B5R0.2 CCC#CC=O MCULE-3889262436 [2,0,0,0,0,0|0,0,2]=4 1034 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|0,0,2]=4 1035 B5R0.2 CCCCC#N MCULE-4015236167 [2,0,0,0,0,0|1,0,1]=4 1036 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|0,0,0]=2 1037 B5R0.2 CCCCCBr MCULE-8513521912 [2,0,0,0,0,0|1,0,1]=4 1038 B5R0.2 CCCCCC MCULE-3465692202 [2,0,0,0,0,0|1,0,1]=4 1039 B5R0.2 CCCCCCl MCULE-4412759460 [2,0,0,0,0,0|1,0,1]=4 1040 B5R0.2 CCCCCF MCULE-6399883281 [2,0,0,0,0,0|1,0,1]=4 1041 B5R0.2 CCCCCI MCULE-4590300793 [2,0,0,0,0,0|1,0,1]=4 1042 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|1,0,1]=4 1043 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|1,0,1]=4 1044 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|1,0,1]=4 1045 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|1,0,1]=4 1046 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|0,0,2]=4 1047 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|0,1,1]=4 1048 B5R0.2 CCCCNC MCULE-9321610906 [2,0,0,0,0,0|1,0,1]=4 1049 B5R0.2 CCCCNN MCULE-6681305566 [2,0,0,0,0,0|2,0,0]=4 1050 B5R0.2 CCCCNN MCULE-6890760890 [2,0,0,0,0,0|2,0,0]=4 1051 B5R0.2 CCCCNN MCULE-7362497327 [2,0,0,0,0,0|2,0,0]=4 1052 B5R0.2 CCCCNN MCULE-8463623644 [2,0,0,0,0,0|2,0,0]=4 1053 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|1,0,1]=4 1054 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|1,0,1]=4 1055 B5R0.2 CCCCOC MCULE-9814272675 [2,0,0,0,0,0|0,0,1]=3 1056 B5R0.2 CCCCON MCULE-7582349983 [2,0,0,0,0,0|1,0,0]=3 1057 B5R0.2 CCCCON MCULE-8175627798 [2,0,0,0,0,0|1,0,0]=3 1058 B5R0.2 CCCCSC MCULE-2799775567 [2,0,0,0,0,0|0,1,1]=4 1059 B5R0.2 CCCN=C=O MCULE-9014468293 [2,0,0,0,0,0|1,0,1]=4 1060 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|1,0,0]=3 1061 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|0,0,0]=2 1062 B5R0.2 CCCOCBr MCULE-3585683043 [2,0,0,0,0,0|1,0,1]=4 1063 B5R0.2 CCCOCC MCULE-9971916790 [2,0,0,0,0,0|1,0,1]=4 1064 B5R0.2 CCCOCCl MCULE-1932627202 [2,0,0,0,0,0|1,0,1]=4 1065 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|1,0,0]=3 1066 B5R0.2 CNCCOC MCULE-2857904484 [2,0,0,0,0,0|1,0,1]=4 1067 B5R0.2 CNCCOC MCULE-5342712496 [2,0,0,0,0,0|1,0,1]=4 1068 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|1,0,0]=3 1069 B5R0.2 COCCCBr MCULE-6489536401 [2,0,0,0,0,0|1,0,1]=4 1070 B5R0.2 COCCCCl MCULE-9192274624 [2,0,0,0,0,0|1,0,1]=4 1071 B5R0.2 COCCCF MCULE-5055725246 [2,0,0,0,0,0|1,0,1]=4 1072 B5R0.2 COCCCI MCULE-9111605439 [2,0,0,0,0,0|1,0,1]=4 1073 B5R0.2 COCCCN MCULE-1421362990 [2,0,0,0,0,0|1,0,1]=4 1074 B5R0.2 COCCCN MCULE-4783132205 [2,0,0,0,0,0|1,0,1]=4 1075 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|1,0,1]=4 1076 B5R0.2 COCCCS MCULE-2371333731 [2,0,0,0,0,0|1,0,1]=4 1077 B5R0.2 COCCOC MCULE-7572196731 [2,0,0,0,0,0|1,0,1]=4 1078 B5R0.2 COCCON MCULE-3507489398 [2,0,0,0,0,0|2,0,0]=4 1079 B5R0.2 COCCON MCULE-8506879697 [2,0,0,0,0,0|2,0,0]=4 1080 B5R0.2 COCCSC MCULE-5362054021 [2,0,0,0,0,0|1,0,1]=4 1081 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|1,0,0]=3 1082 B5R0.2 CSCCON MCULE-9125601960 [2,0,0,0,0,0|2,0,0]=4 1083 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|1,0,1]=4 1084 B5R0.2 N#CCOC=O MCULE-4453241991 [2,0,0,0,0,0|1,0,1]=4 1085 B5R0.2 NCCCON MCULE-1071170242 [2,0,0,0,0,0|2,0,0]=4 1086 B5R0.2 NCCCON MCULE-7767315563 [2,0,0,0,0,0|2,0,0]=4 1087 B5R0.2 NOCCCO MCULE-1072312935 [2,0,0,0,0,0|2,0,0]=4 1088 B5R0.2 NOCCCO MCULE-3715520109 [2,0,0,0,0,0|2,0,0]=4 1089 B5R0.2 NOCCCS MCULE-2063976508 [2,0,0,0,0,0|2,0,0]=4 1090 B5R0.2 NOCCCS MCULE-3464018652 [2,0,0,0,0,0|2,0,0]=4 1091 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|1,0,1]=4 1092 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|1,0,1]=4 1093 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,0]=3 1094 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,0]=3 1095 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,0]=3 1096 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,0]=3 1097 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|2,0,0]=4 1098 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|1,0,0]=3 1099 B7R0.2 C#CC(O)CC(C)C MCULE-1610080651 [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [1,1,0,0,0,0|1,0,1]=4 1101 B7R0.2 C=CC(C)CC(C)C MCULE-9111388336 [1,1,0,0,0,0|1,0,0]=3 1102 B7R0.2 C=CC(O)CC(C)C MCULE-7389371130 [1,1,0,0,0,0|1,0,0]=3 1103 B7R0.2 CC(C)CC(Br)C#N MCULE-9662479066 [1,1,0,0,0,0|1,0,1]=4 1104 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [1,1,0,0,0,0|0,0,0]=2 1105 B7R0.2 CC(C)CC(C)CBr MCULE-6800285380 [1,1,0,0,0,0|1,0,1]=4 1106 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [1,1,0,0,0,0|0,0,2]=4 1107 B7R0.2 CC(C)CC(N)C#N MCULE-6709039264 [1,1,0,0,0,0|1,0,1]=4 1108 B7R0.2 CC(C)CC(N)C#N MCULE-7842524393 [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.2 CC(C)CC(N)CF MCULE-3937400151 [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.2 CC(C)CC(N)CF MCULE-7951827838 [1,1,0,0,0,0|1,0,1]=4 1111 B7R0.2 CC(C)CC(N)CN MCULE-3441513735 [1,1,0,0,0,0|1,0,1]=4 1112 B7R0.2 CC(C)CC(N)CO MCULE-6347344178 [1,1,0,0,0,0|0,0,2]=4 1113 B7R0.2 CC(C)CC(N)CO MCULE-7024759986 [1,1,0,0,0,0|0,0,2]=4 1114 B7R0.2 CC(C)CC(N)CS MCULE-8932651812 [1,1,0,0,0,0|0,1,1]=4 1115 B7R0.2 CC(C)CC(O)C#N MCULE-7308674465 [1,1,0,0,0,0|1,0,1]=4 1116 B7R0.2 CC(C)CC(O)CN MCULE-9414833333 [1,1,0,0,0,0|1,0,1]=4 1117 B7R0.2 CC(C)CC(O)CN MCULE-9784331526 [1,1,0,0,0,0|1,0,1]=4 1118 B7R0.2 CC(C)CN(C)N=O MCULE-1639713023 [1,1,0,0,0,0|2,0,0]=4 1119 B7R0.2 CC(C)C[C@@H](N)CBr MCULE-4869966214 [1,1,0,0,0,0|1,0,1]=4 1120 B7R0.2 CC(C)C[C@@H](N)CO MCULE-1979401982 [1,1,0,0,0,0|0,0,2]=4 1121 B7R0.2 CC(C)C[C@@H](N)CO MCULE-3025407298 [1,1,0,0,0,0|0,0,2]=4 1122 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [1,1,0,0,0,0|0,0,0]=2 1123 B7R0.2 CC(C)C[C@H](N)CBr MCULE-4224057266 [1,1,0,0,0,0|1,0,1]=4 1124 B7R0.2 CC(C)C[C@H](N)CO MCULE-2790872575 [1,1,0,0,0,0|0,0,2]=4 1125 B7R0.2 CC(C)C[C@H](N)CO MCULE-9198147139 [1,1,0,0,0,0|0,0,2]=4 1126 B7R0.2 CCC(C)CC(C)C MCULE-9492683095 [1,1,0,0,0,0|1,0,1]=4 1127 B7R0.2 CNC(C)CC(C)C MCULE-4458579180 [1,1,0,0,0,0|1,0,1]=4 1128 B7R0.2 CNC(C)CC(C)C MCULE-9768203107 [1,1,0,0,0,0|1,0,1]=4 1129 B7R0.2 COC(=N)CC(C)C MCULE-4603041381 [1,1,0,0,0,0|0,0,2]=4 1130 B7R0.2 COC(=N)CC(C)C MCULE-5838686710 [1,1,0,0,0,0|0,0,2]=4 1131 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [1,1,0,0,0,0|0,0,2]=4 1132 B7R0.2 COC(C)CC(C)O MCULE-3635789827 [1,1,0,0,0,0|1,0,1]=4 1133 B7R0.3 C=CCCC(Br)CBr MCULE-1642355305 [1,1,0,0,0,0|2,0,0]=4 1134 B7R0.3 C=CCCC(C)C#N MCULE-9800999429 [1,1,0,0,0,0|1,0,1]=4 1135 B7R0.3 C=CCCC(C)CN MCULE-2246705867 [1,1,0,0,0,0|1,0,0]=3 1136 B7R0.3 C=CCCC(C)CN MCULE-5238030814 [1,1,0,0,0,0|1,0,0]=3 1137 B7R0.3 C=CCCC(N)CC MCULE-4520234599 [1,1,0,0,0,0|2,0,0]=4 1138 B7R0.3 C=CCCC(N)CC MCULE-9493759139 [1,1,0,0,0,0|2,0,0]=4 1139 B7R0.3 C=CCCC(N)CN MCULE-3448579919 [1,1,0,0,0,0|2,0,0]=4 1140 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [1,1,0,0,0,0|2,0,0]=4 1141 B7R0.3 C=CCCC(O)CC MCULE-1265881694 [1,1,0,0,0,0|2,0,0]=4 1142 B7R0.3 C=CCCC(O)CCl MCULE-2554338674 [1,1,0,0,0,0|2,0,0]=4 1143 B7R0.3 C=CCCC(O)CN MCULE-4695723420 [1,1,0,0,0,0|2,0,0]=4 1144 B7R0.3 C=CCC[C@@H](O)CO MCULE-6352864696 [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.3 C=CCOC(C)CN MCULE-7634569955 [1,1,0,0,0,0|2,0,0]=4 1146 B7R0.3 C=CCO[C@@H](C)CN MCULE-4623222070 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [1,1,0,0,0,0|2,0,0]=4 1148 B7R0.3 CC(CN)CCCN MCULE-1249275042 [1,1,0,0,0,0|1,0,1]=4 1149 B7R0.3 CC(CN)CCCO MCULE-2908684674 [1,1,0,0,0,0|0,0,2]=4 1150 B7R0.3 CC(CN)CCCO MCULE-5608783947 [1,1,0,0,0,0|0,0,2]=4 1151 B7R0.3 CC(CN)CCCO MCULE-9269954426 [1,1,0,0,0,0|0,0,2]=4 1152 B7R0.3 CC(CO)CCCO MCULE-8589885622 [1,1,0,0,0,0|0,0,2]=4 1153 B7R0.3 CC=CCC(C)CC MCULE-4817855750 [1,1,0,0,0,0|1,0,1]=4 1154 B7R0.3 CCC(C)CCCO MCULE-2323419626 [1,1,0,0,0,0|0,0,2]=4 1155 B7R0.3 CCC(N)CCOC MCULE-8279767210 [1,1,0,0,0,0|1,0,1]=4 1156 B7R0.3 CCC(O)CCOC MCULE-1245099360 [1,1,0,0,0,0|1,0,1]=4 1157 B7R0.3 CCCCC(C)CC MCULE-9471981954 [1,1,0,0,0,0|1,0,1]=4 1158 B7R0.3 CCCCC(C)NC MCULE-7492621121 [1,1,0,0,0,0|1,0,1]=4 1159 B7R0.3 CCOCC(C)CO MCULE-6831759423 [1,1,0,0,0,0|1,0,1]=4 1160 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [1,1,0,0,0,0|0,0,2]=4 1161 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [1,1,0,0,0,0|0,0,2]=4 1162 B7R0.3 CNC(C)CCSC MCULE-2095620023 [1,1,0,0,0,0|0,1,1]=4 1163 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.3 COCCC(C)CN MCULE-7288397543 [1,1,0,0,0,0|0,0,1]=3 1165 B7R0.3 COCCC(N)CO MCULE-9758817920 [1,1,0,0,0,0|1,0,1]=4 1166 B7R0.3 COCOC(C)CO MCULE-5033492685 [1,1,0,0,0,0|1,0,1]=4 1167 B7R0.3 COCO[C@@H](C)CO MCULE-2279257941 [1,1,0,0,0,0|1,0,1]=4 1168 B7R0.3 COCO[C@H](C)CO MCULE-6639618074 [1,1,0,0,0,0|1,0,1]=4 1169 B7R0.3 COCO[C@H](C)CO MCULE-9421136678 [1,1,0,0,0,0|1,0,1]=4 1170 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [1,1,0,0,0,0|0,0,2]=4 1171 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [1,1,0,0,0,0|0,0,2]=4 1172 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [1,1,0,0,0,0|0,0,2]=4 1173 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [1,1,0,0,0,0|0,0,2]=4 1174 B7R0.5 C#CCC(O)C(C)C MCULE-5540203369 [1,1,0,0,0,0|1,0,1]=4 1175 B7R0.5 C=CCC(C)C(C)C MCULE-8461199830 [1,1,0,0,0,0|1,0,0]=3 1176 B7R0.5 C=CCC(O)C(C)C MCULE-2334905388 [1,1,0,0,0,0|1,0,0]=3 1177 B7R0.5 CC(C)C(C)CCO MCULE-9837449555 [1,1,0,0,0,0|0,0,2]=4 1178 B7R0.5 CC(C)C(C)N=C=O MCULE-2911676446 [1,1,0,0,0,0|1,0,1]=4 1179 B7R0.5 CC(C)C(N)CCO MCULE-4571836019 [1,1,0,0,0,0|0,0,2]=4 1180 B7R0.5 CC(C)C(O)CC#N MCULE-5148911726 [1,1,0,0,0,0|1,0,1]=4 1181 B7R0.5 CC(C)C(O)CCCl MCULE-3510291624 [1,1,0,0,0,0|1,0,1]=4 1182 B7R0.5 CC(C)C(O)CCN MCULE-2039463209 [1,1,0,0,0,0|1,0,1]=4 1183 B7R0.5 CC(C)C(O)CCN MCULE-2941304015 [1,1,0,0,0,0|1,0,1]=4 1184 B7R0.5 CC(C)C(O)CCO MCULE-8819967893 [1,1,0,0,0,0|0,0,2]=4 1185 B7R0.5 CC(C)[C@H](N)CCO MCULE-5628923252 [1,1,0,0,0,0|0,0,2]=4 1186 B7R0.5 CC(C)[C@H](O)CCN MCULE-1853419872 [1,1,0,0,0,0|1,0,1]=4 1187 B7R0.5 CC(C)[C@H](O)CCN MCULE-1886424228 [1,1,0,0,0,0|1,0,1]=4 1188 B7R0.5 CC(C)[C@H](O)CCN MCULE-7762475170 [1,1,0,0,0,0|1,0,1]=4 1189 B7R0.5 CC(C)[C@H](O)CCN MCULE-8675177820 [1,1,0,0,0,0|1,0,1]=4 1190 B7R0.5 CCCC(C)C(C)C MCULE-1008931357 [1,1,0,0,0,0|1,0,1]=4 1191 B7R0.5 CCCC(O)C(C)C MCULE-8942406791 [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.5 CNCC(N)C(C)C MCULE-6535124409 [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.5 COCC(=O)C(C)C MCULE-8251961368 [1,1,0,0,0,0|0,0,2]=4 1194 B7R0.5 COCC(C)C(C)N MCULE-6465669754 [1,1,0,0,0,0|1,0,1]=4 1195 B7R0.5 COCC(N)C(C)C MCULE-4185259512 [1,1,0,0,0,0|0,0,1]=3 1196 B7R0.5 COCC(N)C(C)C MCULE-6424539237 [1,1,0,0,0,0|0,0,1]=3 1197 B7R0.5 COCC(O)C(C)C MCULE-3818851772 [1,1,0,0,0,0|0,0,1]=3 1198 B7R0.5 COC[C@@H](N)C(C)C MCULE-2081062888 [1,1,0,0,0,0|0,0,1]=3 1199 B7R0.5 COC[C@@H](N)C(C)C MCULE-3286077946 [1,1,0,0,0,0|0,0,1]=3 1200 B7R0.5 COC[C@@H](N)C(C)C MCULE-3882144478 [1,1,0,0,0,0|0,0,1]=3 1201 B7R0.5 COC[C@H](N)C(C)C MCULE-3191900867 [1,1,0,0,0,0|0,0,1]=3 1202 B7R0.5 COC[C@H](N)C(C)C MCULE-3410691563 [1,1,0,0,0,0|0,0,1]=3 1203 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [1,1,0,0,0,0|0,0,2]=4 1204 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [1,1,0,0,0,0|0,0,2]=4 1205 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|0,0,2]=4 1206 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [1,1,0,0,0,0|2,0,0]=4 1207 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [1,1,0,0,0,0|1,0,0]=3 1208 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [1,1,0,0,0,0|2,0,0]=4 1209 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [1,1,0,0,0,0|2,0,0]=4 1210 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [1,1,0,0,0,0|0,0,2]=4 1211 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,1,0,0,0,0|0,0,2]=4 1212 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [1,1,0,0,0,0|0,0,2]=4 1213 B7R0.6 CC(=CCC(C)C)C MCULE-5578852998 [1,1,0,0,0,0|1,0,1]=4 1214 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [1,1,0,0,0,0|0,0,2]=4 1215 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,1,0,0,0,0|1,0,1]=4 1216 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,1,0,0,0,0|1,0,1]=4 1217 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|1,0,1]=4 1218 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,1,0,0,0,0|1,0,1]=4 1219 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|0,0,0]=2 1220 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,1,0,0,0,0|2,0,0]=4 1221 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [1,1,0,0,0,0|1,0,0]=3 1222 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [1,1,0,0,0,0|1,0,0]=3 1223 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [1,1,0,0,0,0|1,0,0]=3 1224 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [1,1,0,0,0,0|1,0,0]=3 1225 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [1,1,0,0,0,0|1,0,1]=4 1226 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [1,1,0,0,0,0|1,0,0]=3 1227 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [1,1,0,0,0,0|1,0,0]=3 1228 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [1,1,0,0,0,0|2,0,0]=4 1229 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [1,1,0,0,0,0|2,0,0]=4 1230 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [1,1,0,0,0,0|0,0,0]=2 1231 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [1,1,0,0,0,0|1,0,0]=3 1232 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [1,1,0,0,0,0|2,0,0]=4 1233 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [1,1,0,0,0,0|1,0,1]=4 1234 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [1,1,0,0,0,0|0,0,2]=4 1235 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [1,1,0,0,0,0|0,0,2]=4 1236 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [1,1,0,0,0,0|0,0,2]=4 1237 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [1,1,0,0,0,0|1,0,1]=4 1238 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [1,1,0,0,0,0|1,0,0]=3 1239 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [1,1,0,0,0,0|1,0,0]=3 1240 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,1,0,0,0,0|0,0,0]=2 1241 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|0,0,0]=2 1242 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,1,0,0,0,0|0,0,0]=2 1243 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [1,1,0,0,0,0|0,1,0]=3 1244 B7R0.6 CC(C)CCC(C)Br MCULE-4005079361 [1,1,0,0,0,0|1,0,1]=4 1245 B7R0.6 CC(C)CCC(C)C MCULE-4093485278 [1,1,0,0,0,0|1,0,1]=4 1246 B7R0.6 CC(C)CCC(C)N MCULE-3038746969 [1,1,0,0,0,0|1,0,1]=4 1247 B7R0.6 CC(C)CCC(C)N MCULE-7972635029 [1,1,0,0,0,0|1,0,1]=4 1248 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [1,1,0,0,0,0|0,0,2]=4 1249 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [1,1,0,0,0,0|1,0,0]=3 1250 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [1,1,0,0,0,0|1,0,0]=3 1251 B7R0.6 CC(C)CNC(=S)N MCULE-4099725026 [1,1,0,0,0,0|1,1,0]=4 1252 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [1,1,0,0,0,0|0,0,0]=2 1253 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [1,1,0,0,0,0|0,0,0]=2 1254 B7R0.6 CC(C)COC(=S)[S-] MCULE-2950087835 [1,1,0,0,0,0|0,1,0]=3 1255 B7R0.6 CC(C)COC(=S)[S-] MCULE-9454360265 [1,1,0,0,0,0|0,1,0]=3 1256 B7R0.6 CC(C)CSC(=N)N MCULE-3628542246 [1,1,0,0,0,0|1,1,0]=4 1257 B7R0.6 CC(C)CSC(=N)N MCULE-5586193026 [1,1,0,0,0,0|1,1,0]=4 1258 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [1,1,0,0,0,0|1,0,0]=3 1259 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [1,1,0,0,0,0|1,0,0]=3 1260 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [1,1,0,0,0,0|1,0,0]=3 1261 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|1,0,0]=3 1262 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|1,0,0]=3 1263 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [1,1,0,0,0,0|1,0,0]=3 1264 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,1,0,0,0,0|1,0,0]=3 1265 B7R0.6 CC(C)OCC(=S)N MCULE-8843903229 [1,1,0,0,0,0|1,1,0]=4 1266 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,1,0,0,0,0|1,0,0]=3 1267 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,1,0,0,0,0|1,0,0]=3 1268 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,1,0,0,0,0|1,0,0]=3 1269 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,1,0,0,0,0|1,0,0]=3 1270 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [1,1,0,0,0,0|1,1,0]=4 1271 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [1,1,0,0,0,0|1,1,0]=4 1272 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|1,0,0]=3 1273 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|1,0,0]=3 1274 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,1,0,0,0,0|1,0,0]=3 1275 B7R0.6 CN(C)CCC(=N)N MCULE-3452380324 [1,1,0,0,0,0|2,0,0]=4 1276 B7R0.6 CN(C)CCC(=N)N MCULE-7661734671 [1,1,0,0,0,0|2,0,0]=4 1277 B7R0.6 CN(C)CCC(=N)N MCULE-9745909230 [1,1,0,0,0,0|2,0,0]=4 1278 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,1,0,0,0,0|1,0,0]=3 1279 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,1,0,0,0,0|1,0,0]=3 1280 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|2,0,0]=4 1281 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,1,0,0,0,0|1,0,0]=3 1282 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,1,0,0,0,0|1,0,0]=3 1283 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,1,0,0,0,0|1,0,0]=3 1284 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,1,0,0,0,0|1,0,0]=3 1285 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|1,0,0]=3 1286 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,1,0,0,0,0|1,0,0]=3 1287 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,1,0,0,0,0|1,0,0]=3 1288 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,1,0,0,0,0|1,0,0]=3 1289 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,1,0,0,0,0|1,0,0]=3 1290 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [1,1,0,0,0,0|1,0,0]=3 1291 B7R0.6 O=C(Cl)OCC(F)F MCULE-4977819635 [1,1,0,0,0,0|2,0,0]=4 1292 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,1,0,0,0,0|2,0,0]=4 1293 B7R0.8 C#CCCC(C)(C)O MCULE-8518979057 [1,1,0,0,0,0|1,0,1]=4 1294 B7R0.8 C=C=CCC(C)(C)O MCULE-4586517985 [1,1,0,0,0,0|1,0,1]=4 1295 B7R0.8 C=CCCC(C)(C)C MCULE-8786196383 [1,1,0,0,0,0|1,0,0]=3 1296 B7R0.8 C=CCCC(C)(C)N MCULE-4917756483 [1,1,0,0,0,0|1,0,0]=3 1297 B7R0.8 C=CCCC(C)(C)N MCULE-6232196724 [1,1,0,0,0,0|1,0,0]=3 1298 B7R0.8 C=CCCC(C)(C)O MCULE-6514590251 [1,1,0,0,0,0|1,0,0]=3 1299 B7R0.8 C=CCC[Si](C)(C)C MCULE-9475403054 [1,1,0,0,0,0|1,1,0]=4 1300 B7R0.8 C=CCNC(C)(C)C MCULE-6482977976 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.8 C=CCNC(C)(C)C MCULE-7967337441 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.8 CC(C)(C)CCC#N MCULE-3859085521 [1,1,0,0,0,0|1,0,1]=4 1303 B7R0.8 CC(C)(C)CCC=O MCULE-1451861515 [1,1,0,0,0,0|0,0,0]=2 1304 B7R0.8 CC(C)(C)CCCBr MCULE-4957327319 [1,1,0,0,0,0|1,0,1]=4 1305 B7R0.8 CC(C)(C)CCCCl MCULE-2639997289 [1,1,0,0,0,0|1,0,1]=4 1306 B7R0.8 CC(C)(C)CCCN MCULE-4819398612 [1,1,0,0,0,0|1,0,1]=4 1307 B7R0.8 CC(C)(C)CCCN MCULE-8532835162 [1,1,0,0,0,0|1,0,1]=4 1308 B7R0.8 CC(C)(C)CCCO MCULE-6612017649 [1,1,0,0,0,0|0,0,2]=4 1309 B7R0.8 CC(C)(C)CCNN MCULE-1135702388 [1,1,0,0,0,0|2,0,0]=4 1310 B7R0.8 CC(C)(C)CCNN MCULE-9156763103 [1,1,0,0,0,0|2,0,0]=4 1311 B7R0.8 CC(C)(C)CCON MCULE-2291447993 [1,1,0,0,0,0|1,0,0]=3 1312 B7R0.8 CC(C)(C)CN=C=O MCULE-5314905295 [1,1,0,0,0,0|1,0,1]=4 1313 B7R0.8 CC(C)(Cl)CCC#N MCULE-2375664185 [1,1,0,0,0,0|1,0,1]=4 1314 B7R0.8 CC(C)(N)CCC#N MCULE-5759855320 [1,1,0,0,0,0|1,0,1]=4 1315 B7R0.8 CC(C)(N)CCCN MCULE-2030762085 [1,1,0,0,0,0|1,0,1]=4 1316 B7R0.8 CC(C)(N)CCCO MCULE-7933621714 [1,1,0,0,0,0|0,0,2]=4 1317 B7R0.8 CC(C)(O)CCCBr MCULE-5479502475 [1,1,0,0,0,0|1,0,1]=4 1318 B7R0.8 CC(C)(O)CCCN MCULE-1661840780 [1,1,0,0,0,0|1,0,1]=4 1319 B7R0.8 CC(C)(O)CCCO MCULE-1879136086 [1,1,0,0,0,0|0,0,2]=4 1320 B7R0.8 CC(C)(O)CCNN MCULE-1931103100 [1,1,0,0,0,0|2,0,0]=4 1321 B7R0.8 CC(C)(O)CCNN MCULE-8954589001 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.8 CC(F)(F)CCC=O MCULE-8198686125 [1,1,0,0,0,0|1,0,0]=3 1323 B7R0.8 CCCCC(C)(C)C MCULE-4446772090 [1,1,0,0,0,0|1,0,1]=4 1324 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [1,1,0,0,0,0|1,0,1]=4 1325 B7R0.8 CCOCC(C)(C)N MCULE-6273123648 [1,1,0,0,0,0|1,0,1]=4 1326 B7R0.8 CCOCC(C)(C)N MCULE-8688436281 [1,1,0,0,0,0|1,0,1]=4 1327 B7R0.8 CNCCC(C)(C)C MCULE-4129415722 [1,1,0,0,0,0|1,0,1]=4 1328 B7R0.8 CNCCC(C)(C)C MCULE-8255669777 [1,1,0,0,0,0|1,0,1]=4 1329 B7R0.8 CNCCC(C)(C)N MCULE-2728169604 [1,1,0,0,0,0|1,0,1]=4 1330 B7R0.8 CNCCC(C)(C)N MCULE-3540926370 [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.8 CNCCC(C)(C)O MCULE-6866727490 [1,1,0,0,0,0|1,0,1]=4 1332 B7R0.8 COCCC(C)(C)N MCULE-7159634596 [1,1,0,0,0,0|0,0,1]=3 1333 B7R0.8 CONCC(C)(C)C MCULE-4738335162 [1,1,0,0,0,0|1,0,1]=4 1334 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [1,1,0,0,0,0|2,0,0]=4 1335 B7R0.8 CSCCC(C)(C)N MCULE-5957026834 [1,1,0,0,0,0|0,1,1]=4 1336 B7R0.8 C[Si](C)(C)CCON MCULE-1449766833 [1,1,0,0,0,0|1,1,0]=4 1337 B7R0.8 C[Si](C)(C)CCON MCULE-4125270419 [1,1,0,0,0,0|1,1,0]=4 1338 B7R0.8 O=CCCC(F)(F)F MCULE-8231441138 [1,1,0,0,0,0|2,0,0]=4 1339 B7R0.8 O=COCC(F)(F)F MCULE-8624760453 [1,1,0,0,0,0|2,0,0]=4 1340 B7R0.1 C#CCCCCC=O MCULE-2019630243 [1,1,0,0,0,0|1,0,1]=4 1341 B7R0.1 C/C=C/CCCCC MCULE-6911363331 [1,1,0,0,0,0|2,0,0]=4 1342 B7R0.1 C/C=C\CCCCC MCULE-9470036254 [1,1,0,0,0,0|2,0,0]=4 1343 B7R0.1 C=CCCCCC=O MCULE-6786275827 [1,1,0,0,0,0|1,0,1]=4 1344 B7R0.1 C=CCCCCCBr MCULE-7782876660 [1,1,0,0,0,0|2,0,0]=4 1345 B7R0.1 C=CCCCCCC MCULE-6867393536 [1,1,0,0,0,0|2,0,0]=4 1346 B7R0.1 C=CCCCCCCl MCULE-2205880878 [1,1,0,0,0,0|2,0,0]=4 1347 B7R0.1 C=CCCCCCI MCULE-1823596954 [1,1,0,0,0,0|2,0,0]=4 1348 B7R0.1 C=CCCCCCN MCULE-2913783474 [1,1,0,0,0,0|2,0,0]=4 1349 B7R0.1 C=CCCCCCN MCULE-9545708862 [1,1,0,0,0,0|2,0,0]=4 1350 B7R0.1 C=CCCCCCO MCULE-1200112990 [1,1,0,0,0,0|2,0,0]=4 1351 B7R0.1 C=CCCCCNC MCULE-3676018759 [1,1,0,0,0,0|2,0,0]=4 1352 B7R0.1 C=CCCCCNC MCULE-9443600983 [1,1,0,0,0,0|2,0,0]=4 1353 B7R0.1 C=CCCCNCC MCULE-2141378110 [1,1,0,0,0,0|2,0,0]=4 1354 B7R0.1 C=CCCCNCC MCULE-4269657694 [1,1,0,0,0,0|2,0,0]=4 1355 B7R0.1 C=CCOCCCBr MCULE-7892533278 [1,1,0,0,0,0|2,0,0]=4 1356 B7R0.1 C=CCOCCCC MCULE-2214755289 [1,1,0,0,0,0|1,0,0]=3 1357 B7R0.1 C=CCOCCCN MCULE-4862923195 [1,1,0,0,0,0|2,0,0]=4 1358 B7R0.1 C=CCOCCOC MCULE-7363927527 [1,1,0,0,0,0|2,0,0]=4 1359 B7R0.1 C=CCSCCCC MCULE-4868736488 [1,1,0,0,0,0|1,1,0]=4 1360 B7R0.1 C=COCCCCC MCULE-4024159480 [1,1,0,0,0,0|1,0,0]=3 1361 B7R0.1 C=COCCCCO MCULE-3537265926 [1,1,0,0,0,0|1,0,0]=3 1362 B7R0.1 CC#CCCCC=O MCULE-9621727341 [1,1,0,0,0,0|1,0,1]=4 1363 B7R0.1 CC/C=C/CCCC MCULE-7439146649 [1,1,0,0,0,0|2,0,0]=4 1364 B7R0.1 CC/C=C\CCC=O MCULE-5862165111 [1,1,0,0,0,0|1,0,1]=4 1365 B7R0.1 CC=CCCCCC MCULE-7111489659 [1,1,0,0,0,0|2,0,0]=4 1366 B7R0.1 CC=CCCCCO MCULE-8707373340 [1,1,0,0,0,0|2,0,0]=4 1367 B7R0.1 CCC=CCCC=O MCULE-1386777548 [1,1,0,0,0,0|1,0,1]=4 1368 B7R0.1 CCC=CCCCC MCULE-9716720293 [1,1,0,0,0,0|2,0,0]=4 1369 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [1,1,0,0,0,0|1,0,0]=3 1370 B7R0.1 CCCC/C=C/CO MCULE-5404793542 [1,1,0,0,0,0|1,0,1]=4 1371 B7R0.1 CCCCC#CC=O MCULE-6973833394 [1,1,0,0,0,0|1,0,0]=3 1372 B7R0.1 CCCCC=CC=O MCULE-6776317009 [1,1,0,0,0,0|1,0,0]=3 1373 B7R0.1 CCCCC=CCBr MCULE-2427659057 [1,1,0,0,0,0|2,0,0]=4 1374 B7R0.1 CCCCC=CCO MCULE-7891403223 [1,1,0,0,0,0|1,0,1]=4 1375 B7R0.1 CCCCCC=CI MCULE-9964634818 [1,1,0,0,0,0|2,0,0]=4 1376 B7R0.1 CCCCCCC=O MCULE-5251820425 [1,1,0,0,0,0|1,0,0]=3 1377 B7R0.1 CCCCCN=C=O MCULE-6020523044 [1,1,0,0,0,0|1,0,1]=4 1378 B7R0.1 CCCCCOC=O MCULE-2718009140 [1,1,0,0,0,0|0,0,0]=2 1379 B7R0.1 CCCCCOCC MCULE-6346670527 [1,1,0,0,0,0|1,0,1]=4 1380 B7R0.1 CCCCCON=O MCULE-8065075083 [1,1,0,0,0,0|1,0,0]=3 1381 B7R0.1 CCCCOCCBr MCULE-5314812532 [1,1,0,0,0,0|1,0,1]=4 1382 B7R0.1 CCCCOCCCl MCULE-9147804479 [1,1,0,0,0,0|1,0,1]=4 1383 B7R0.1 CCCCOCCI MCULE-3571589392 [1,1,0,0,0,0|1,0,1]=4 1384 B7R0.1 CCCCOCCN MCULE-1817743996 [1,1,0,0,0,0|1,0,1]=4 1385 B7R0.1 CCCCOCCN MCULE-3658840205 [1,1,0,0,0,0|1,0,1]=4 1386 B7R0.1 CCCCOCCO MCULE-1727546427 [1,1,0,0,0,0|0,0,2]=4 1387 B7R0.1 CCCCOCCO MCULE-4417721312 [1,1,0,0,0,0|0,0,2]=4 1388 B7R0.1 CCCCOCCS MCULE-7419398753 [1,1,0,0,0,0|0,1,1]=4 1389 B7R0.1 CCNCCOCC MCULE-8895991816 [1,1,0,0,0,0|1,0,1]=4 1390 B7R0.1 CCOCCCCN MCULE-6583734908 [1,1,0,0,0,0|1,0,1]=4 1391 B7R0.1 CCOCCCCO MCULE-9986213119 [1,1,0,0,0,0|1,0,1]=4 1392 B7R0.1 CCOCCOCC MCULE-5593873009 [1,1,0,0,0,0|1,0,1]=4 1393 B7R0.1 COCCCN=C=O MCULE-9248091945 [1,1,0,0,0,0|1,0,1]=4 1394 B7R0.1 COCCOCC=O MCULE-2621317944 [1,1,0,0,0,0|1,0,0]=3 1395 B7R0.1 COCOCCC=O MCULE-3632276453 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.1 ClCCCCOCCl MCULE-6534731124 [1,1,0,0,0,0|1,0,1]=4 1397 B7R0.1 O=CCCCCC=O MCULE-3751145550 [1,1,0,0,0,0|1,0,1]=4 1398 B7R0.1 O=CCCCCCBr MCULE-7014516847 [1,1,0,0,0,0|1,0,0]=3 1399 B7R0.1 O=CCCCCCCl MCULE-8269912560 [1,1,0,0,0,0|1,0,0]=3 1400 B7R0.1 O=CCCCCCF MCULE-8174281286 [1,1,0,0,0,0|1,0,0]=3 1401 B7R0.1 O=CCCCCCO MCULE-3978349845 [1,1,0,0,0,0|1,0,0]=3 1402 B7R0.1 O=CCCCCCO MCULE-4997016680 [1,1,0,0,0,0|1,0,0]=3 1403 B7R0.1 O=COCCOC=O MCULE-6942322322 [1,1,0,0,0,0|1,0,1]=4 1404 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [1,1,0,0,0,0|2,0,0]=4 1405 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [1,1,0,0,0,0|1,0,1]=4 1406 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [1,1,0,0,0,0|2,0,0]=4 1407 B7R0.7 CCCC(C)N=C=O MCULE-9843542105 [1,1,0,0,0,0|1,0,1]=4 1408 B7R0.7 CCCC(C)OCC MCULE-2678814077 [1,1,0,0,0,0|1,0,1]=4 1409 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [1,1,0,0,0,0|2,0,0]=4 1410 B9R0.4 CCOC[C@@H](N)CC(C)C MCULE-4064676814 [0,2,0,0,0,0|1,0,1]=4 1411 B9R0.4 CCOC[C@@H](N)CC(C)C MCULE-5876457429 [0,2,0,0,0,0|1,0,1]=4 1412 B9R0.4 CCOC[C@H](N)CC(C)C MCULE-9114519227 [0,2,0,0,0,0|1,0,1]=4 1413 B9R0.4 CCOC[C@H](N)CC(C)C MCULE-9320340955 [0,2,0,0,0,0|1,0,1]=4 1414 B9R0.6 C[C@H](O)[C@@H](O)[C@@H](O)CC=O MCULE-2872306796 [0,2,0,0,0,0|2,0,0]=4 1415 B9R0.6 C[C@H](O)[C@H](O)[C@@H](N)CC=O MCULE-2681463079 [0,2,0,0,0,0|2,0,0]=4 1416 B9R0.6 C[C@H](O)[C@H](O)[C@@H](N)CC=O MCULE-3703407559 [0,2,0,0,0,0|2,0,0]=4 1417 B9R0.44 CC(CC=O)CC(C)(C)C MCULE-6622339070 [0,2,0,0,0,0|1,0,0]=3 1418 B9R0.53 C=C(C)CC(C)CC(C)C MCULE-4505551323 [0,2,0,0,0,0|2,0,0]=4 1419 B9R0.53 C=C(C)CC(C)OC(=O)C MCULE-1562545021 [0,2,0,0,0,0|0,0,2]=4 1420 B9R0.53 CC(=O)CC(=O)CC(C)C MCULE-2279264895 [0,2,0,0,0,0|1,0,1]=4 1421 B9R0.53 CC(=O)CC(C)CC(C)C MCULE-3290069482 [0,2,0,0,0,0|1,0,0]=3 1422 B9R0.53 CC(=O)NC(C)OC(C)C MCULE-6295741916 [0,2,0,0,0,0|2,0,0]=4 1423 B9R0.53 CC(=O)OC(C)CC(C)C MCULE-4956954975 [0,2,0,0,0,0|0,0,0]=2 1424 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,2,0,0,0,0|1,0,0]=3 1425 B9R0.53 CC(C)CC(C)OC(=O)Cl MCULE-5901476510 [0,2,0,0,0,0|0,0,0]=2 1426 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,2,0,0,0,0|1,0,0]=3 1427 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,2,0,0,0,0|1,0,0]=3 1428 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,2,0,0,0,0|1,0,0]=3 1429 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,2,0,0,0,0|1,0,0]=3 1430 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,2,0,0,0,0|1,0,0]=3 1431 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,2,0,0,0,0|1,0,0]=3 1432 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,2,0,0,0,0|1,0,0]=3 1433 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,2,0,0,0,0|1,0,0]=3 1434 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,2,0,0,0,0|1,0,0]=3 1435 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,2,0,0,0,0|1,0,0]=3 1436 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,2,0,0,0,0|1,0,0]=3 1437 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,2,0,0,0,0|1,0,0]=3 1438 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [0,2,0,0,0,0|2,0,0]=4 1439 B9R0.1 C=CC(=O)NCCN(C)C MCULE-7028967910 [0,2,0,0,0,0|2,0,0]=4 1440 B9R0.1 C=CC(=O)OCCC(C)C MCULE-5192931697 [0,2,0,0,0,0|0,0,0]=2 1441 B9R0.1 C=CC(=O)OCCN(C)C MCULE-9056293498 [0,2,0,0,0,0|1,0,0]=3 1442 B9R0.1 CC(=CCCC(C)C=O)C MCULE-6765236802 [0,2,0,0,0,0|1,0,1]=4 1443 B9R0.1 CC(C)CCNC(=O)CCl MCULE-9051227303 [0,2,0,0,0,0|1,0,0]=3 1444 B9R0.1 CC(C)CCNC(=S)NN MCULE-5255663258 [0,2,0,0,0,0|1,1,0]=4 1445 B9R0.1 CC(C)CCOC(=O)CCl MCULE-3110922497 [0,2,0,0,0,0|0,0,0]=2 1446 B9R0.1 CC(C)CCOC(=O)CS MCULE-8135594899 [0,2,0,0,0,0|0,0,0]=2 1447 B9R0.1 CC(C)NCCC(=O)NN MCULE-8523442264 [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.1 CC(O)CCNC(=O)CN MCULE-2254047793 [0,2,0,0,0,0|2,0,0]=4 1449 B9R0.1 CC(O)CCNC(=O)CN MCULE-3406589793 [0,2,0,0,0,0|2,0,0]=4 1450 B9R0.1 CCC(=O)OCCC(C)C MCULE-3753568890 [0,2,0,0,0,0|0,0,0]=2 1451 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,2,0,0,0,0|1,0,0]=3 1452 B9R0.1 CCC(C)CCOC(=O)C MCULE-7887852572 [0,2,0,0,0,0|0,0,0]=2 1453 B9R0.1 CCC(C)NCCC(=O)N MCULE-1926892639 [0,2,0,0,0,0|2,0,0]=4 1454 B9R0.1 CCC(C)NCCC(=O)N MCULE-9191758717 [0,2,0,0,0,0|2,0,0]=4 1455 B9R0.1 CCC(C)OCCC(=O)C MCULE-5228891169 [0,2,0,0,0,0|2,0,0]=4 1456 B9R0.1 CN(C)CCNC(=O)CN MCULE-2237593119 [0,2,0,0,0,0|2,0,0]=4 1457 B9R0.1 CN(C)CCNC(=O)CN MCULE-2770226063 [0,2,0,0,0,0|2,0,0]=4 1458 B9R0.1 CNC(=O)CCNC(C)C MCULE-8184733424 [0,2,0,0,0,0|2,0,0]=4 1459 B9R0.1 CN[C@H](C)CCC=C(C)C MCULE-1274555304 [0,2,0,0,0,0|2,0,0]=4 1460 B9R0.1 COC(=O)/C=C/CC(C)C MCULE-1903765303 [0,2,0,0,0,0|1,0,1]=4 1461 B9R0.1 COC(=O)C=CCC(C)C MCULE-4145879256 [0,2,0,0,0,0|1,0,1]=4 1462 B9R0.1 COC(=O)CCNC(C)C MCULE-3115197137 [0,2,0,0,0,0|2,0,0]=4 1463 B9R0.1 COC(=O)CCOC(C)C MCULE-7375114794 [0,2,0,0,0,0|2,0,0]=4 1464 B9R0.1 COC(=O)CNCC(C)C MCULE-6522627999 [0,2,0,0,0,0|2,0,0]=4 1465 B9R0.1 COC(C)CCOC(=O)C MCULE-3980717537 [0,2,0,0,0,0|0,0,0]=2 1466 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,2,0,0,0,0|2,0,0]=4 1467 B9R0.20 CCOCCC(C)(C)C=O MCULE-2777298648 [0,2,0,0,0,0|1,0,1]=4 1468 B9R0.47 C=CCCCC(C)C(=O)C MCULE-3594332716 [0,2,0,0,0,0|2,0,0]=4 1469 B9R0.47 CCCOCC(N)C(C)C MCULE-6320176513 [0,2,0,0,0,0|1,0,1]=4 1470 B9R0.47 CCCOCC(N)C(C)C MCULE-7805441914 [0,2,0,0,0,0|1,0,1]=4 1471 B9R0.50 CCN(CC)CCNC=O MCULE-2440369678 [0,2,0,0,0,0|2,0,0]=4 1472 B9R0.2 C=CCCCCCC(C)C MCULE-9645214202 [0,2,0,0,0,0|2,0,0]=4 1473 B9R0.2 CC(C)CCOCCC#N MCULE-8579346666 [0,2,0,0,0,0|1,0,1]=4 1474 B9R0.2 CC(C)CCOCCCN MCULE-8121420339 [0,2,0,0,0,0|1,0,1]=4 1475 B9R0.2 CC(C)NCCOCCN MCULE-8379305503 [0,2,0,0,0,0|1,0,1]=4 1476 B9R0.2 CC(C)NCCOCCO MCULE-1908249477 [0,2,0,0,0,0|0,0,2]=4 1477 B9R0.2 CC(C)NCCOCCO MCULE-3095080776 [0,2,0,0,0,0|0,0,2]=4 1478 B9R0.38 C=CCOCC[N+](C)(C)C MCULE-7850465970 [0,2,0,0,0,0|2,0,0]=4 1479 B9R0.38 C=CCOCC[N+](C)(C)C MCULE-9212664775 [0,2,0,0,0,0|2,0,0]=4 1480 B9R0.38 CC(C)(C)CCCCC=O MCULE-8002631916 [0,2,0,0,0,0|1,0,0]=3 1481 B9R0.38 CC(C)(C)CCOCCN MCULE-2145219590 [0,2,0,0,0,0|1,0,1]=4 1482 B9R0.48 CCOC(=O)CCC(C)C MCULE-1386486394 [0,2,0,0,0,0|1,0,1]=4 1483 B9R0.48 CCOC(C)OCC(C)C MCULE-1164843715 [0,2,0,0,0,0|1,0,1]=4 1484 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,2,0,0,0,0|1,0,1]=4 1485 B9R0.55 CC(=O)CCCCC(C)C MCULE-8847308651 [0,2,0,0,0,0|1,0,0]=3 1486 B9R0.55 CC(=O)CCCCN(C)C MCULE-4549437072 [0,2,0,0,0,0|2,0,0]=4 1487 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,2,0,0,0,0|1,0,1]=4 1488 B9R0.55 CC(=O)CCOCC(C)C MCULE-8673860656 [0,2,0,0,0,0|1,0,0]=3 1489 B9R0.55 CC(=O)NCCCN(C)C MCULE-9928212719 [0,2,0,0,0,0|2,0,0]=4 1490 B9R0.55 CC(=O)NCCNC(C)C MCULE-7910696298 [0,2,0,0,0,0|1,0,0]=3 1491 B9R0.55 CC(=O)OCCOC(=O)C MCULE-4333627796 [0,2,0,0,0,0|1,0,1]=4 1492 B9R0.55 CC(C)C=CCCC(=O)O MCULE-4916288990 [0,2,0,0,0,0|1,0,1]=4 1493 B9R0.55 CC(C)CC/C=C/B(O)O MCULE-3932882523 [0,2,0,0,0,0|1,0,1]=4 1494 B9R0.55 CC(C)CCC=CB(O)O MCULE-9200845318 [0,2,0,0,0,0|1,0,1]=4 1495 B9R0.55 CC(C)CCCCC(=O)N MCULE-5796308812 [0,2,0,0,0,0|1,0,0]=3 1496 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,2,0,0,0,0|1,0,0]=3 1497 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,2,0,0,0,0|0,0,0]=2 1498 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,2,0,0,0,0|0,1,0]=3 1499 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,2,0,0,0,0|1,0,0]=3 1500 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,2,0,0,0,0|1,0,0]=3 1501 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,2,0,0,0,0|1,0,0]=3 1502 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,2,0,0,0,0|1,0,0]=3 1503 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,2,0,0,0,0|1,0,0]=3 1504 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,2,0,0,0,0|1,0,0]=3 1505 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [0,2,0,0,0,0|1,0,0]=3 1506 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [0,2,0,0,0,0|1,0,0]=3 1507 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,2,0,0,0,0|2,0,0]=4 1508 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,2,0,0,0,0|2,0,0]=4 1509 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,2,0,0,0,0|2,0,0]=4 1510 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,2,0,0,0,0|2,0,0]=4 1511 B9R0.55 CN(C)CCCNC(=O)N MCULE-7609255843 [0,2,0,0,0,0|2,0,0]=4 1512 B9R0.55 CN(C)CCCNC(=O)N MCULE-8074263689 [0,2,0,0,0,0|2,0,0]=4 1513 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,2,0,0,0,0|2,0,0]=4 1514 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,2,0,0,0,0|2,0,0]=4 1515 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,2,0,0,0,0|1,0,0]=3 1516 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,2,0,0,0,0|1,1,0]=4 1517 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,2,0,0,0,0|1,1,0]=4 1518 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,2,0,0,0,0|2,0,0]=4 1519 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.7 CC(C)C(=O)CCC(=O)O MCULE-9072643820 [0,2,0,0,0,0|1,0,1]=4 1521 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,2,0,0,0,0|1,0,0]=3 1522 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,2,0,0,0,0|1,0,0]=3 1523 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,2,0,0,0,0|1,0,0]=3 1524 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,2,0,0,0,0|1,0,0]=3 1525 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,2,0,0,0,0|1,0,0]=3 1526 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,2,0,0,0,0|1,0,0]=3 1527 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,2,0,0,0,0|1,0,0]=3 1528 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,2,0,0,0,0|1,0,0]=3 1529 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,2,0,0,0,0|1,0,0]=3 1530 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,2,0,0,0,0|1,0,0]=3 1531 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,2,0,0,0,0|1,0,0]=3 1532 B9R0.7 CC(C)CNC(=O)C(=O)O MCULE-4401645596 [0,2,0,0,0,0|2,0,0]=4 1533 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,2,0,0,0,0|2,0,0]=4 1534 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-1211739557 [0,2,0,0,0,0|2,0,0]=4 1535 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-7992959591 [0,2,0,0,0,0|2,0,0]=4 1536 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,2,0,0,0,0|2,0,0]=4 1538 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-5148332124 [0,2,0,0,0,0|2,0,0]=4 1539 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-6459126538 [0,2,0,0,0,0|2,0,0]=4 1540 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,2,0,0,0,0|2,0,0]=4 1541 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,2,0,0,0,0|2,0,0]=4 1542 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,2,0,0,0,0|2,0,0]=4 1543 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,2,0,0,0,0|2,0,0]=4 1544 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,2,0,0,0,0|2,0,0]=4 1545 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,2,0,0,0,0|2,0,0]=4 1546 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,2,0,0,0,0|2,0,0]=4 1547 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,2,0,0,0,0|2,0,0]=4 1550 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,2,0,0,0,0|2,0,0]=4 1551 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [0,2,0,0,0,0|2,0,0]=4 1552 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,2,0,0,0,0|2,0,0]=4 1553 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,2,0,0,0,0|2,0,0]=4 1554 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,2,0,0,0,0|2,0,0]=4 1555 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,2,0,0,0,0|2,0,0]=4 1556 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,2,0,0,0,0|2,0,0]=4 1557 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,2,0,0,0,0|2,0,0]=4 1558 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,2,0,0,0,0|2,0,0]=4 1559 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,2,0,0,0,0|2,0,0]=4 1560 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,2,0,0,0,0|2,0,0]=4 1561 B9R0.42 C[C@@H](O)[C@@H](O)C[C@H](O)C=O MCULE-5279849864 [0,2,0,0,0,0|2,0,0]=4 1562 B9R0.42 C[C@@H](O)[C@H](O)C[C@H](O)C=O MCULE-8179219296 [0,2,0,0,0,0|2,0,0]=4 1563 B9R0.64 CC(C)CCC(C)(C)C=O MCULE-5695677996 [0,2,0,0,0,0|1,0,0]=3 1564 B9R0.56 C=C(Br)CCCC(C)(C)C MCULE-5139420207 [0,2,0,0,0,0|2,0,0]=4 1565 B9R0.56 C=C(C)CCCC(C)(C)C MCULE-4242513604 [0,2,0,0,0,0|2,0,0]=4 1566 B9R0.56 C=C(Cl)CCCC(C)(C)C MCULE-9600452003 [0,2,0,0,0,0|2,0,0]=4 1567 B9R0.56 CC(=O)CCOC(C)(C)C MCULE-7564146395 [0,2,0,0,0,0|2,0,0]=4 1568 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8496483723 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.56 CC(=O)NCC[N+](C)(C)C MCULE-8521440659 [0,2,0,0,0,0|2,0,0]=4 1570 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4295517590 [0,2,0,0,0,0|1,0,0]=3 1571 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-4407610890 [0,2,0,0,0,0|1,0,0]=3 1572 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-6461445841 [0,2,0,0,0,0|1,0,0]=3 1573 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-7765616505 [0,2,0,0,0,0|1,0,0]=3 1574 B9R0.56 CC(=O)OCC[N+](C)(C)C MCULE-9336983715 [0,2,0,0,0,0|1,0,0]=3 1575 B9R0.56 CC(=O)OCC[Si](C)(C)Cl MCULE-8932068563 [0,2,0,0,0,0|0,1,0]=3 1576 B9R0.56 CC(=O)OCC[Si](C)(Cl)Cl MCULE-7297171294 [0,2,0,0,0,0|1,1,0]=4 1577 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-2411681405 [0,2,0,0,0,0|1,1,0]=4 1578 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-4617747505 [0,2,0,0,0,0|1,1,0]=4 1579 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-6838656617 [0,2,0,0,0,0|1,1,0]=4 1580 B9R0.56 CC(=O)SCC[N+](C)(C)C MCULE-7762832237 [0,2,0,0,0,0|1,1,0]=4 1581 B9R0.56 CC(=O)SCC[Si](C)(C)C MCULE-5870722900 [0,2,0,0,0,0|0,2,0]=4 1582 B9R0.56 CC(C)(C)CCCC(=O)O MCULE-2659832762 [0,2,0,0,0,0|1,0,0]=3 1583 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-1268208354 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-5430860345 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.56 CC(C)(C)COCC(=O)Cl MCULE-1692426636 [0,2,0,0,0,0|2,0,0]=4 1586 B9R0.56 CC(C)(C)NCCC(=O)N MCULE-5827810099 [0,2,0,0,0,0|2,0,0]=4 1587 B9R0.56 CC(C)(C)OCCC(=O)O MCULE-2627981612 [0,2,0,0,0,0|2,0,0]=4 1588 B9R0.56 CC(C)(C)SCCC(=O)O MCULE-3380271202 [0,2,0,0,0,0|2,0,0]=4 1589 B9R0.56 CC(C)(N)COCC(=O)O MCULE-6736911202 [0,2,0,0,0,0|2,0,0]=4 1590 B9R0.56 CC(C)CCCS(=O)(=O)Cl MCULE-3794104445 [0,2,0,0,0,0|2,0,0]=4 1591 B9R0.56 CC(C)CCNS(=O)(=O)C MCULE-2350285604 [0,2,0,0,0,0|2,0,0]=4 1592 B9R0.56 CC(C)CCOS(=O)(=O)C MCULE-2105352533 [0,2,0,0,0,0|1,0,0]=3 1593 B9R0.56 CN(C)CCOS(=O)(=O)C MCULE-4531221892 [0,2,0,0,0,0|2,0,0]=4 1594 B9R0.56 CN(C)CCOS(=O)(=O)C MCULE-9056077065 [0,2,0,0,0,0|2,0,0]=4 1595 B9R0.56 CS(=O)(=O)CCOC(=O)Cl MCULE-7479796506 [0,2,0,0,0,0|2,0,0]=4 1596 B9R0.56 C[N+](C)(C)CCCC(=O)O MCULE-2639547018 [0,2,0,0,0,0|2,0,0]=4 1597 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] MCULE-4081752151 [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-5642570831 [0,2,0,0,0,0|1,0,0]=3 1599 B9R0.56 C[N+](C)(C)CCOC(=O)N MCULE-9644162883 [0,2,0,0,0,0|1,0,0]=3 1600 B9R0.56 C[Si](C)(C)CCCC(=O)O MCULE-6750746548 [0,2,0,0,0,0|1,1,0]=4 1601 B9R0.56 C[Si](C)(C)CCOC(=O)Cl MCULE-1008452969 [0,2,0,0,0,0|0,1,0]=3 1602 B9R0.56 O=C(Cl)OCCC(F)(F)F MCULE-8949256620 [0,2,0,0,0,0|2,0,0]=4 1603 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [1,0,0,1,0,0|2,0,0]=4 1604 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [1,0,0,1,0,0|2,0,0]=4 1605 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,0,0,1,0,0|2,0,0]=4 1606 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [1,0,0,1,0,0|1,0,0]=3 1607 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,1,0,0|0,0,2]=4 1608 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,0,0,1,0,0|0,0,2]=4 1609 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [1,0,0,1,0,0|2,0,0]=4 1610 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [1,0,0,1,0,0|2,0,0]=4 1611 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [1,0,0,1,0,0|1,0,1]=4 1612 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [1,0,0,1,0,0|1,0,1]=4 1613 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [1,0,0,1,0,0|1,0,0]=3 1614 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [1,0,0,1,0,0|1,0,0]=3 1615 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [1,0,0,1,0,0|2,0,0]=4 1616 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [1,0,0,1,0,0|2,0,0]=4 1617 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [1,0,0,1,0,0|2,0,0]=4 1618 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [1,0,0,1,0,0|2,0,0]=4 1619 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|0,0,0]=2 1620 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,0,0,1,0,0|1,0,0]=3 1621 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,0,0,1,0,0|1,0,0]=3 1622 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|1,0,0]=3 1623 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [1,0,0,1,0,0|1,0,1]=4 1624 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [1,0,0,1,0,0|1,0,1]=4 1625 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [1,0,0,1,0,0|1,0,1]=4 1626 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [1,0,0,1,0,0|1,0,1]=4 1627 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [1,0,0,1,0,0|0,0,2]=4 1628 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,0,0,1,0,0|1,0,0]=3 1629 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,0,0,1,0,0|2,0,0]=4 1630 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|2,0,0]=4 1631 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [1,0,0,1,0,0|0,0,0]=2 1632 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [1,0,0,1,0,0|1,0,0]=3 1633 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,1,0,0|1,0,0]=3 1634 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [1,0,0,1,0,0|1,1,0]=4 1635 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [1,0,0,1,0,0|2,0,0]=4 1636 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [1,0,0,1,0,0|1,1,0]=4 1637 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,0,0,1,0,0|2,0,0]=4 1638 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [1,0,0,1,0,0|1,0,0]=3 1639 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [1,0,0,1,0,0|1,0,0]=3 1640 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [1,0,0,1,0,0|1,0,0]=3 1641 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [1,0,0,1,0,0|1,0,0]=3 1642 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,0,0,1,0,0|1,0,0]=3 1643 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,0,0,1,0,0|1,0,0]=3 1644 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|1,0,0]=3 1645 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [1,0,0,1,0,0|1,0,1]=4 1646 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [1,0,0,1,0,0|1,0,1]=4 1647 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,0,0,1,0,0|1,0,0]=3 1648 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,0,0,1,0,0|1,0,0]=3 1649 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|2,0,0]=4 1650 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|2,0,0]=4 1651 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [1,0,0,1,0,0|0,0,0]=2 1652 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [1,0,0,1,0,0|0,0,0]=2 1653 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [1,0,0,1,0,0|1,0,0]=3 1654 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [1,0,0,1,0,0|1,0,0]=3 1655 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,1,0,0|1,0,0]=3 1656 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,1,0,0|1,0,0]=3 1657 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [1,0,0,1,0,0|1,0,0]=3 1658 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [1,0,0,1,0,0|1,0,0]=3 1659 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [1,0,0,1,0,0|1,0,0]=3 1660 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [1,0,0,1,0,0|1,0,0]=3 1661 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|0,0,0]=2 1662 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,0,0,1,0,0|1,0,0]=3 1663 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,0,0,1,0,0|1,0,0]=3 1664 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|1,0,0]=3 1665 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [1,0,0,1,0,0|1,0,1]=4 1666 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [1,0,0,1,0,0|1,0,1]=4 1667 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [1,0,0,1,0,0|1,0,1]=4 1668 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,0,0,1,0,0|1,0,0]=3 1669 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,0,0,1,0,0|1,0,0]=3 1670 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [1,0,0,1,0,0|0,0,0]=2 1671 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [1,0,0,1,0,0|1,0,0]=3 1672 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [1,0,0,1,0,0|1,0,0]=3 1673 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,1,0,0|1,0,0]=3 1674 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,1,0,0|1,0,0]=3 1675 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,0,0,1,0,0|1,0,0]=3 1676 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,0,0,1,0,0|1,0,0]=3 1677 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [1,0,0,1,0,0|2,0,0]=4 1678 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [1,0,0,1,0,0|2,0,0]=4 1679 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [1,0,0,1,0,0|1,1,0]=4 1680 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [1,0,0,1,0,0|1,1,0]=4 1681 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [1,0,0,1,0,0|2,0,0]=4 1682 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [1,0,0,1,0,0|2,0,0]=4 1683 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [1,0,0,1,0,0|2,0,0]=4 1684 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [1,0,0,1,0,0|2,0,0]=4 1685 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [1,0,0,1,0,0|1,0,0]=3 1686 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [1,0,0,1,0,0|1,0,0]=3 1687 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [1,0,0,1,0,0|1,0,0]=3 1688 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [1,0,0,1,0,0|1,0,0]=3 1689 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [1,0,0,1,0,0|2,0,0]=4 1690 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [1,0,0,1,0,0|2,0,0]=4 1691 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [1,0,0,1,0,0|2,0,0]=4 1692 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [1,0,0,1,0,0|2,0,0]=4 1693 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [1,0,0,1,0,0|1,0,0]=3 1694 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [1,0,0,1,0,0|1,0,0]=3 1695 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [1,0,0,1,0,0|1,0,0]=3 1696 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [1,0,0,1,0,0|1,0,0]=3 1697 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [1,0,0,1,0,0|2,0,0]=4 1698 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [1,0,0,1,0,0|2,0,0]=4 1699 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [1,0,0,1,0,0|2,0,0]=4 1700 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [1,0,0,1,0,0|2,0,0]=4 1701 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [1,0,0,1,0,0|2,0,0]=4 1702 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [1,0,0,1,0,0|2,0,0]=4 1703 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [1,0,0,1,0,0|1,0,0]=3 1704 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [1,0,0,1,0,0|1,0,0]=3 1705 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [1,0,0,1,0,0|1,0,0]=3 1706 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [1,0,0,1,0,0|1,0,0]=3 1707 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,0,0,1,0,0|2,0,0]=4 1708 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [1,0,0,1,0,0|2,0,0]=4 1709 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|1,0,0]=3 1710 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|1,0,0]=3 1711 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [1,0,0,1,0,0|1,0,1]=4 1712 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,0,0,1,0,0|1,0,0]=3 1713 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,0,0,1,0,0|1,0,0]=3 1714 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|1,0,0]=3 1715 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|2,0,0]=4 1716 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|2,0,0]=4 1717 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|2,0,0]=4 1718 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [1,0,0,1,0,0|1,0,1]=4 1719 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,0,0,1,0,0|2,0,0]=4 1720 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,0,0,1,0,0|2,0,0]=4 1721 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|1,0,0]=3 1722 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|1,0,0]=3 1723 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,0,0,1,0,0|2,0,0]=4 1724 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,0,0,1,0,0|2,0,0]=4 1725 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [1,0,0,1,0,0|2,0,0]=4 1726 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [1,0,0,1,0,0|2,0,0]=4 1727 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|1,0,0]=3 1728 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|1,0,0]=3 1729 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [1,0,0,1,0,0|2,0,0]=4 1730 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [1,0,0,1,0,0|2,0,0]=4 1731 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|0,0,0]=2 1732 B7R1.3 BrC1CCOCC1 MCULE-4896539126 [1,0,0,1,0,0|1,0,1]=4 1733 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [1,0,0,1,0,0|1,0,1]=4 1734 B7R1.3 CC1CC=CCC1 MCULE-6343106785 [1,0,0,1,0,0|1,0,0]=3 1735 B7R1.3 CC1CCCCC1 MCULE-3843525768 [1,0,0,1,0,0|1,0,1]=4 1736 B7R1.3 CC1CCCNC1 MCULE-3344207132 [1,0,0,1,0,0|1,0,1]=4 1737 B7R1.3 CC1CCCNC1 MCULE-5707832183 [1,0,0,1,0,0|1,0,1]=4 1738 B7R1.3 CC1CCCNC1 MCULE-7033850891 [1,0,0,1,0,0|1,0,1]=4 1739 B7R1.3 CC1CCCNC1 MCULE-7153943487 [1,0,0,1,0,0|1,0,1]=4 1740 B7R1.3 CC1CCNCC1 MCULE-5873723365 [1,0,0,1,0,0|1,0,1]=4 1741 B7R1.3 CC1CCNCC1 MCULE-6994675149 [1,0,0,1,0,0|1,0,1]=4 1742 B7R1.3 CC1CCNCC1 MCULE-9043030659 [1,0,0,1,0,0|1,0,1]=4 1743 B7R1.3 CC1CCOCC1 MCULE-8623581625 [1,0,0,1,0,0|0,0,1]=3 1744 B7R1.3 CC1CCOCN1 MCULE-5420262342 [1,0,0,1,0,0|1,0,1]=4 1745 B7R1.3 CC1CCOCO1 MCULE-5013590651 [1,0,0,1,0,0|1,0,1]=4 1746 B7R1.3 CN1CC=CCC1 MCULE-1566475259 [1,0,0,1,0,0|2,0,0]=4 1747 B7R1.3 CN1CC=CCC1 MCULE-7879022625 [1,0,0,1,0,0|2,0,0]=4 1748 B7R1.3 CN1CCOCC1 MCULE-1649171852 [1,0,0,1,0,0|1,0,1]=4 1749 B7R1.3 C[C@@H]1CCCNC1 MCULE-1079173995 [1,0,0,1,0,0|1,0,1]=4 1750 B7R1.3 C[C@@H]1CCCNC1 MCULE-1230145662 [1,0,0,1,0,0|1,0,1]=4 1751 B7R1.3 C[C@@H]1CCCNC1 MCULE-3423787676 [1,0,0,1,0,0|1,0,1]=4 1752 B7R1.3 C[C@@H]1CCCNC1 MCULE-9303264483 [1,0,0,1,0,0|1,0,1]=4 1753 B7R1.3 C[C@H]1CCCNC1 MCULE-3372852932 [1,0,0,1,0,0|1,0,1]=4 1754 B7R1.3 C[C@H]1CCCNC1 MCULE-5146147676 [1,0,0,1,0,0|1,0,1]=4 1755 B7R1.3 C[C@H]1CCCNC1 MCULE-7894943546 [1,0,0,1,0,0|1,0,1]=4 1756 B7R1.3 C[C@H]1CCCNC1 MCULE-8016414984 [1,0,0,1,0,0|1,0,1]=4 1757 B7R1.3 ClC1CCOCC1 MCULE-5672440693 [1,0,0,1,0,0|1,0,1]=4 1758 B7R1.3 IC1CCOCC1 MCULE-7226892860 [1,0,0,1,0,0|1,0,1]=4 1759 B7R1.3 NC1CC=CCC1 MCULE-4040563231 [1,0,0,1,0,0|2,0,0]=4 1760 B7R1.3 NC1CC=CCC1 MCULE-9904098902 [1,0,0,1,0,0|2,0,0]=4 1761 B7R1.3 NC1CCOCC1 MCULE-4830730893 [1,0,0,1,0,0|1,0,1]=4 1762 B7R1.3 NC1CCOCC1 MCULE-6229850202 [1,0,0,1,0,0|1,0,1]=4 1763 B7R1.3 NC1CCOCC1 MCULE-7619874469 [1,0,0,1,0,0|1,0,1]=4 1764 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7764023195 [1,0,0,1,0,0|2,0,0]=4 1765 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7983408030 [1,0,0,1,0,0|2,0,0]=4 1766 B7R1.3 N[C@H]1CC=CCC1 MCULE-2054948922 [1,0,0,1,0,0|2,0,0]=4 1767 B7R1.3 N[C@H]1CC=CCC1 MCULE-6634059436 [1,0,0,1,0,0|2,0,0]=4 1768 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [1,0,0,1,0,0|2,0,0]=4 1769 B7R1.3 OC1CCOCC1 MCULE-3789534226 [1,0,0,1,0,0|1,0,1]=4 1770 B7R1.3 SC1CCOCC1 MCULE-1287019115 [1,0,0,1,0,0|1,0,1]=4 1771 B7R1.5 CC1CC1N=C=O MCULE-2439771505 [1,0,0,1,0,0|1,0,1]=4 1772 B7R1.5 CNCC1CC1C MCULE-9748636910 [1,0,0,1,0,0|1,0,1]=4 1773 B7R1.7 BrCCCC1CC1 MCULE-1359115765 [1,0,0,1,0,0|1,0,1]=4 1774 B7R1.7 C=CCCC1CO1 MCULE-2331378134 [1,0,0,1,0,0|2,0,0]=4 1775 B7R1.7 C=CCC[C@H]1CO1 MCULE-4953904401 [1,0,0,1,0,0|2,0,0]=4 1776 B7R1.7 C=CCC[C@H]1CO1 MCULE-7730579466 [1,0,0,1,0,0|2,0,0]=4 1777 B7R1.7 CNCCC1CC1 MCULE-2375777124 [1,0,0,1,0,0|1,0,1]=4 1778 B7R1.7 CNCCC1CC1 MCULE-9913761675 [1,0,0,1,0,0|1,0,1]=4 1779 B7R1.7 CNOCC1CC1 MCULE-1735426846 [1,0,0,1,0,0|2,0,0]=4 1780 B7R1.7 CNOCC1CC1 MCULE-3664885073 [1,0,0,1,0,0|2,0,0]=4 1781 B7R1.7 COCCC1CO1 MCULE-9068008411 [1,0,0,1,0,0|1,0,1]=4 1782 B7R1.7 COCNC1CC1 MCULE-6233934333 [1,0,0,1,0,0|1,0,1]=4 1783 B7R1.7 N#CCCC1CC1 MCULE-2020373635 [1,0,0,1,0,0|1,0,1]=4 1784 B7R1.7 NCCCC1CC1 MCULE-1579218471 [1,0,0,1,0,0|1,0,1]=4 1785 B7R1.7 NCCCC1CC1 MCULE-8160460213 [1,0,0,1,0,0|1,0,1]=4 1786 B7R1.7 NOCCC1CC1 MCULE-1304023980 [1,0,0,1,0,0|1,0,0]=3 1787 B7R1.7 NOCCC1CC1 MCULE-8656049274 [1,0,0,1,0,0|1,0,0]=3 1788 B7R1.7 O=C=NCC1CC1 MCULE-8504006885 [1,0,0,1,0,0|1,0,1]=4 1789 B7R1.7 O=CCCC1CC1 MCULE-2890512932 [1,0,0,1,0,0|0,0,0]=2 1790 B7R1.7 OCCCC1CC1 MCULE-5336501479 [1,0,0,1,0,0|0,0,2]=4 1791 B7R1.10 CC1CC(C1)C#N MCULE-7387519905 [1,0,0,1,0,0|1,0,1]=4 1792 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [1,0,0,1,0,0|0,0,0]=2 1793 B7R1.10 CC1CC(C1)CBr MCULE-3814375250 [1,0,0,1,0,0|1,0,1]=4 1794 B7R1.10 CC1CC(C1)CN MCULE-4821587591 [1,0,0,1,0,0|1,0,1]=4 1795 B7R1.10 CC1CC(C1)CN MCULE-8372628495 [1,0,0,1,0,0|1,0,1]=4 1796 B7R1.10 CC1CC(C1)CO MCULE-5730978355 [1,0,0,1,0,0|0,0,2]=4 1797 B7R1.10 CNC1CC(C1)C MCULE-5081801744 [1,0,0,1,0,0|1,0,1]=4 1798 B7R1.10 CNC1CC(C1)C MCULE-9449007216 [1,0,0,1,0,0|1,0,1]=4 1799 B7R1.10 COC1CC(C1)Br MCULE-8691368603 [1,0,0,1,0,0|1,0,1]=4 1800 B7R1.10 COC1CC(C1)N MCULE-1660819417 [1,0,0,1,0,0|1,0,1]=4 1801 B7R1.10 COC1CC(C1)N MCULE-8999221377 [1,0,0,1,0,0|1,0,1]=4 1802 B7R1.10 COC1CC(C1)O MCULE-6762585493 [1,0,0,1,0,0|1,0,1]=4 1803 B7R1.10 CO[C@H]1C[C@@H](C1)Br MCULE-1579786868 [1,0,0,1,0,0|1,0,1]=4 1804 B7R1.10 CO[C@H]1C[C@@H](C1)N MCULE-7191327129 [1,0,0,1,0,0|1,0,1]=4 1805 B7R1.10 CO[C@H]1C[C@@H](C1)N MCULE-8453539406 [1,0,0,1,0,0|1,0,1]=4 1806 B7R1.10 CO[C@H]1C[C@@H](C1)O MCULE-8355585959 [1,0,0,1,0,0|1,0,1]=4 1807 B7R1.10 CO[C@H]1C[C@H](C1)N MCULE-1470713902 [1,0,0,1,0,0|1,0,1]=4 1808 B7R1.10 CO[C@H]1C[C@H](C1)N MCULE-7213635913 [1,0,0,1,0,0|1,0,1]=4 1809 B7R1.10 CO[C@H]1C[C@H](C1)O MCULE-4960775262 [1,0,0,1,0,0|1,0,1]=4 1810 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-1713655941 [1,0,0,1,0,0|1,0,1]=4 1811 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-5926317826 [1,0,0,1,0,0|1,0,1]=4 1812 B7R1.14 CC1(C=CCC1)C MCULE-9154912302 [1,0,0,1,0,0|1,0,0]=3 1813 B7R1.14 CC1(CCCN1)C MCULE-3172250386 [1,0,0,1,0,0|1,0,1]=4 1814 B7R1.14 CC1(CCCN1)C MCULE-6227706175 [1,0,0,1,0,0|1,0,1]=4 1815 B7R1.14 CC1(CCNC1)C MCULE-3460660754 [1,0,0,1,0,0|1,0,1]=4 1816 B7R1.14 CC1(CCNC1)C MCULE-7874744806 [1,0,0,1,0,0|1,0,1]=4 1817 B7R1.14 CC1(CCNC1)C MCULE-9717378283 [1,0,0,1,0,0|1,0,1]=4 1818 B7R1.14 CC1(CCOC1)N MCULE-1997756007 [1,0,0,1,0,0|1,0,1]=4 1819 B7R1.14 CC1(CCOC1)N MCULE-5807249895 [1,0,0,1,0,0|1,0,1]=4 1820 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [1,0,0,1,0,0|1,0,1]=4 1821 B7R1.14 CC1(CN=CN1)C MCULE-2151532658 [1,0,0,1,0,0|2,0,0]=4 1822 B7R1.14 CC1(COC=N1)C MCULE-6704291423 [1,0,0,1,0,0|1,0,0]=3 1823 B7R1.14 CC1(COCN1)C MCULE-4655412355 [1,0,0,1,0,0|1,0,1]=4 1824 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [1,0,0,1,0,0|0,0,0]=2 1825 B7R1.17 CC1(CCC1Br)C MCULE-2707590334 [1,0,0,1,0,0|1,0,1]=4 1826 B7R1.17 CC1(CCC1N)C MCULE-3143969489 [1,0,0,1,0,0|1,0,1]=4 1827 B7R1.17 CC1(CCC1N)C MCULE-7719131610 [1,0,0,1,0,0|1,0,1]=4 1828 B7R1.17 CC1(CCC1O)C MCULE-7385359414 [1,0,0,1,0,0|0,0,2]=4 1829 B7R1.17 CC1(CC[C@@H]1O)C MCULE-9766955692 [1,0,0,1,0,0|0,0,2]=4 1830 B7R1.17 CC1(CNC1=O)C MCULE-3476087791 [1,0,0,1,0,0|1,0,0]=3 1831 B7R1.17 CC1(OCC1=O)C MCULE-5758313494 [1,0,0,1,0,0|1,0,0]=3 1832 B7R1.17 O=C1CCC1(Br)Br MCULE-8976658449 [1,0,0,1,0,0|2,0,0]=4 1833 B7R1.17 O=C1CCC1(F)F MCULE-4827224161 [1,0,0,1,0,0|2,0,0]=4 1834 B7R1.18 CC(C)C1CNC1 MCULE-4830353053 [1,0,0,1,0,0|1,0,1]=4 1835 B7R1.18 CC(C)C1CNC1 MCULE-7304386148 [1,0,0,1,0,0|1,0,1]=4 1836 B7R1.18 CC(N)C1COC1 MCULE-1380624257 [1,0,0,1,0,0|1,0,1]=4 1837 B7R1.18 CC(O)C1COC1 MCULE-4981198639 [1,0,0,1,0,0|1,0,1]=4 1838 B7R1.18 C[C@@H](N)C1COC1 MCULE-7669553866 [1,0,0,1,0,0|1,0,1]=4 1839 B7R1.18 C[C@@H](O)C1COC1 MCULE-5223611242 [1,0,0,1,0,0|1,0,1]=4 1840 B7R1.18 C[C@@H](O)C1COC1 MCULE-5819578881 [1,0,0,1,0,0|1,0,1]=4 1841 B7R1.18 C[C@H](N)C1COC1 MCULE-8337949293 [1,0,0,1,0,0|1,0,1]=4 1842 B7R1.18 C[C@H](O)C1COC1 MCULE-1396791034 [1,0,0,1,0,0|1,0,1]=4 1843 B7R1.18 C[C@H](O)C1COC1 MCULE-8805369596 [1,0,0,1,0,0|1,0,1]=4 1844 B7R1.20 CC(C)CC1CO1 MCULE-7259971470 [1,0,0,1,0,0|0,0,1]=3 1845 B7R1.20 CN(C)CC1CO1 MCULE-3116266625 [1,0,0,1,0,0|1,0,1]=4 1846 B7R1.23 CC1(CC1C#N)C MCULE-6202919210 [1,0,0,1,0,0|1,0,1]=4 1847 B7R1.23 CC1(CC1C=O)Br MCULE-1505961517 [1,0,0,1,0,0|1,0,0]=3 1848 B7R1.23 CC1(CC1C=O)C MCULE-9386051771 [1,0,0,1,0,0|0,0,0]=2 1849 B7R1.23 CC1(CC1CN)C MCULE-5243006209 [1,0,0,1,0,0|1,0,1]=4 1850 B7R1.23 CC1(CC1CN)C MCULE-8803769775 [1,0,0,1,0,0|1,0,1]=4 1851 B7R1.23 CC1(CC1CO)C MCULE-3855230422 [1,0,0,1,0,0|0,0,2]=4 1852 B7R1.23 CC1(C[C@@H]1CO)C MCULE-2771980454 [1,0,0,1,0,0|0,0,2]=4 1853 B7R1.23 CC1(C[C@H]1CO)C MCULE-7876524457 [1,0,0,1,0,0|0,0,2]=4 1854 B7R1.23 CNC1CC1(C)C MCULE-2392748327 [1,0,0,1,0,0|1,0,1]=4 1855 B7R1.23 CNC1CC1(C)C MCULE-6195602506 [1,0,0,1,0,0|1,0,1]=4 1856 B7R1.23 O=CC1CC1(F)F MCULE-5377082936 [1,0,0,1,0,0|2,0,0]=4 1857 B7R1.1 C=CC1CCCC1 MCULE-6144532155 [1,0,0,1,0,0|2,0,0]=4 1858 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [1,0,0,1,0,0|2,0,0]=4 1859 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,0,0,1,0,0|1,0,1]=4 1860 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [1,0,0,1,0,0|1,0,0]=3 1861 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [1,0,0,1,0,0|2,0,0]=4 1862 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [1,0,0,1,0,0|2,0,0]=4 1863 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [1,0,0,1,0,0|2,0,0]=4 1864 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [1,0,0,1,0,0|2,0,0]=4 1865 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [1,0,0,1,0,0|1,0,0]=3 1866 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [1,0,0,1,0,0|2,0,0]=4 1867 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [1,0,0,1,0,0|2,0,0]=4 1868 B7R1.1 O=NN1CCCC1 MCULE-8449068120 [1,0,0,1,0,0|2,0,0]=4 1869 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [1,0,0,1,0,0|2,0,0]=4 1870 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [1,0,0,1,0,0|2,0,0]=4 1871 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [1,0,0,1,0,0|0,0,2]=4 1872 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [1,0,0,1,0,0|0,0,2]=4 1873 B7R1.4 CC1CCCC1=O MCULE-3710290162 [1,0,0,1,0,0|1,0,0]=3 1874 B7R1.4 CC1CCNC1=O MCULE-7799644249 [1,0,0,1,0,0|1,0,0]=3 1875 B7R1.4 CC1CCOC1=O MCULE-2223078294 [1,0,0,1,0,0|0,0,0]=2 1876 B7R1.4 CC1CNCC1=O MCULE-2728909327 [1,0,0,1,0,0|2,0,0]=4 1877 B7R1.4 CC1CNCC1=O MCULE-9172381840 [1,0,0,1,0,0|2,0,0]=4 1878 B7R1.4 CC1COCC1=O MCULE-8115238635 [1,0,0,1,0,0|2,0,0]=4 1879 B7R1.4 CC1CSCC1=O MCULE-5611423322 [1,0,0,1,0,0|2,0,0]=4 1880 B7R1.4 CC1NCCC1=O MCULE-4206844406 [1,0,0,1,0,0|2,0,0]=4 1881 B7R1.4 CC1NCCC1=O MCULE-7025918222 [1,0,0,1,0,0|2,0,0]=4 1882 B7R1.4 CC1OCCC1=O MCULE-8278816952 [1,0,0,1,0,0|2,0,0]=4 1883 B7R1.4 CC1SCCC1=O MCULE-5264322365 [1,0,0,1,0,0|2,0,0]=4 1884 B7R1.4 CN1CCCC1=O MCULE-1381506705 [1,0,0,1,0,0|2,0,0]=4 1885 B7R1.4 CN1CCNC1=O MCULE-9774864412 [1,0,0,1,0,0|2,0,0]=4 1886 B7R1.4 CN1CCOC1=O MCULE-7467321799 [1,0,0,1,0,0|1,0,0]=3 1887 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [1,0,0,1,0,0|1,0,0]=3 1888 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [1,0,0,1,0,0|1,0,0]=3 1889 B7R1.4 NC1CCCC1=O MCULE-3654949473 [1,0,0,1,0,0|2,0,0]=4 1890 B7R1.4 NC1CCCC1=O MCULE-6579965788 [1,0,0,1,0,0|2,0,0]=4 1891 B7R1.4 NC1CCNC1=O MCULE-2061829370 [1,0,0,1,0,0|2,0,0]=4 1892 B7R1.4 NC1CCNC1=O MCULE-4272585488 [1,0,0,1,0,0|2,0,0]=4 1893 B7R1.4 NC1CCOC1=O MCULE-1011670330 [1,0,0,1,0,0|1,0,0]=3 1894 B7R1.4 NC1CCOC1=O MCULE-1366805966 [1,0,0,1,0,0|1,0,0]=3 1895 B7R1.4 NC1CCOC1=O MCULE-1874490478 [1,0,0,1,0,0|1,0,0]=3 1896 B7R1.4 NC1CCOC1=O MCULE-4434379753 [1,0,0,1,0,0|1,0,0]=3 1897 B7R1.4 NC1CCOC1=O MCULE-7302633352 [1,0,0,1,0,0|1,0,0]=3 1898 B7R1.4 NC1CCOC1=O MCULE-8009953591 [1,0,0,1,0,0|1,0,0]=3 1899 B7R1.4 NC1CCSC1=O MCULE-5181497015 [1,0,0,1,0,0|1,1,0]=4 1900 B7R1.4 NC1CCSC1=O MCULE-8775141567 [1,0,0,1,0,0|1,1,0]=4 1901 B7R1.4 NN1CCOC1=O MCULE-7407834106 [1,0,0,1,0,0|2,0,0]=4 1902 B7R1.4 NN1CCOC1=O MCULE-8091613930 [1,0,0,1,0,0|2,0,0]=4 1903 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [1,0,0,1,0,0|2,0,0]=4 1904 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [1,0,0,1,0,0|2,0,0]=4 1905 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [1,0,0,1,0,0|2,0,0]=4 1906 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [1,0,0,1,0,0|2,0,0]=4 1907 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [1,0,0,1,0,0|1,0,0]=3 1908 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [1,0,0,1,0,0|1,0,0]=3 1909 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [1,0,0,1,0,0|1,0,0]=3 1910 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [1,0,0,1,0,0|1,0,0]=3 1911 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [1,0,0,1,0,0|1,1,0]=4 1912 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [1,0,0,1,0,0|1,1,0]=4 1913 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [1,0,0,1,0,0|1,1,0]=4 1914 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [1,0,0,1,0,0|1,1,0]=4 1915 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [1,0,0,1,0,0|2,0,0]=4 1916 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [1,0,0,1,0,0|2,0,0]=4 1917 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [1,0,0,1,0,0|2,0,0]=4 1918 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [1,0,0,1,0,0|2,0,0]=4 1919 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [1,0,0,1,0,0|1,0,0]=3 1920 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [1,0,0,1,0,0|1,0,0]=3 1921 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [1,0,0,1,0,0|1,0,0]=3 1922 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [1,0,0,1,0,0|1,0,0]=3 1923 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [1,0,0,1,0,0|1,0,0]=3 1924 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [1,0,0,1,0,0|1,1,0]=4 1925 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [1,0,0,1,0,0|1,1,0]=4 1926 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [1,0,0,1,0,0|1,1,0]=4 1927 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [1,0,0,1,0,0|1,1,0]=4 1928 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [1,0,0,1,0,0|2,0,0]=4 1929 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [1,0,0,1,0,0|2,0,0]=4 1930 B7R1.4 O=C1CCCC1F MCULE-8001765295 [1,0,0,1,0,0|2,0,0]=4 1931 B7R1.4 O=C1CCCC1O MCULE-6795188798 [1,0,0,1,0,0|2,0,0]=4 1932 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [1,0,0,1,0,0|2,0,0]=4 1933 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [1,0,0,1,0,0|2,0,0]=4 1934 B7R1.4 O=C1NCCC1F MCULE-2209899044 [1,0,0,1,0,0|2,0,0]=4 1935 B7R1.4 O=C1NCCC1O MCULE-8818841339 [1,0,0,1,0,0|2,0,0]=4 1936 B7R1.4 O=C1NCCC1O MCULE-9662824811 [1,0,0,1,0,0|2,0,0]=4 1937 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [1,0,0,1,0,0|2,0,0]=4 1938 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [1,0,0,1,0,0|2,0,0]=4 1939 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [1,0,0,1,0,0|2,0,0]=4 1940 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [1,0,0,1,0,0|2,0,0]=4 1941 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [1,0,0,1,0,0|1,0,0]=3 1942 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,0,0,1,0,0|1,0,0]=3 1943 B7R1.4 O=C1OCCC1S MCULE-2130434062 [1,0,0,1,0,0|1,0,0]=3 1944 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,0,0,1,0,0|1,0,0]=3 1945 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,0,0,1,0,0|1,0,0]=3 1946 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,0,0,1,0,0|1,0,0]=3 1947 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,0,0,1,0,0|1,0,0]=3 1948 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [1,0,0,1,0,0|1,0,0]=3 1949 B7R1.6 ClCOC1CCC1 MCULE-3275885126 [1,0,0,1,0,0|1,0,1]=4 1950 B7R1.6 O=C=NC1CCC1 MCULE-9904450065 [1,0,0,1,0,0|1,0,1]=4 1951 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [1,0,0,1,0,0|1,0,0]=3 1952 B7R1.6 O=CCC1COC1 MCULE-3070858256 [1,0,0,1,0,0|2,0,0]=4 1953 B7R1.8 CC1CCC1C=O MCULE-9541644884 [1,0,0,1,0,0|1,0,0]=3 1954 B7R1.8 CCC1CCC1=O MCULE-5109615435 [1,0,0,1,0,0|1,0,0]=3 1955 B7R1.8 COC1CCC1=O MCULE-6511996246 [1,0,0,1,0,0|2,0,0]=4 1956 B7R1.8 CSC1CCC1=O MCULE-3892720319 [1,0,0,1,0,0|2,0,0]=4 1957 B7R1.8 O=C1CCC1CO MCULE-5501600764 [1,0,0,1,0,0|2,0,0]=4 1958 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [1,0,0,1,0,0|2,0,0]=4 1959 B7R1.9 COC1CC1C=O MCULE-8346964880 [1,0,0,1,0,0|2,0,0]=4 1960 B7R1.24 C1=CCCCCC1 MCULE-4514853156 [1,0,0,1,0,0|2,0,0]=4 1961 B7R1.24 C1CCCOCC1 MCULE-9994899395 [1,0,0,1,0,0|1,0,1]=4 1962 B7R1.24 C1CCNOCC1 MCULE-7242354366 [1,0,0,1,0,0|2,0,0]=4 1963 B7R1.24 C1CCNOCC1 MCULE-7451936178 [1,0,0,1,0,0|2,0,0]=4 1964 B7R1.24 C1CCOCOC1 MCULE-4779745094 [1,0,0,1,0,0|0,0,2]=4 1965 B9R1.13 CC(C)NC1CCOC1 MCULE-4775162766 [0,1,0,1,0,0|1,0,1]=4 1966 B9R1.22 CC1CC(=C(C1)C=O)Cl MCULE-5409611500 [0,1,0,1,0,0|1,0,1]=4 1967 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,1,0,1,0,0|1,0,1]=4 1968 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,1,0,0|1,0,1]=4 1969 B9R1.34 CC1CC(=O)CC(=O)C1 MCULE-9077952779 [0,1,0,1,0,0|1,0,1]=4 1970 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,1,0,0|1,0,1]=4 1971 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [0,1,0,1,0,0|1,0,0]=3 1972 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6804146726 [0,1,0,1,0,0|2,0,0]=4 1973 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6840092000 [0,1,0,1,0,0|2,0,0]=4 1974 B9R1.34 CC1CC(=O)CC(O1)C MCULE-3466195629 [0,1,0,1,0,0|2,0,0]=4 1975 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,1,0,0|0,0,1]=3 1976 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,1,0,0|1,0,1]=4 1977 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-8209155173 [0,1,0,1,0,0|2,0,0]=4 1978 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-9446746465 [0,1,0,1,0,0|2,0,0]=4 1979 B9R1.34 C[C@@H]1CC(=O)C[C@H](O1)C MCULE-7023432709 [0,1,0,1,0,0|2,0,0]=4 1980 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-2788235613 [0,1,0,1,0,0|2,0,0]=4 1981 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-5366721571 [0,1,0,1,0,0|2,0,0]=4 1982 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-5181389040 [0,1,0,1,0,0|2,0,0]=4 1983 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-6787698072 [0,1,0,1,0,0|2,0,0]=4 1984 B9R1.34 C[C@H]1CC(=O)C[C@H](O1)C MCULE-6710108830 [0,1,0,1,0,0|2,0,0]=4 1985 B9R1.38 CC1(CC(=O)CC1=O)C MCULE-3397643509 [0,1,0,1,0,0|1,0,1]=4 1986 B9R1.38 CC1(CC(=O)NC1=O)C MCULE-3157279987 [0,1,0,1,0,0|1,0,1]=4 1987 B9R1.38 CC1(CC(=O)OC1=O)C MCULE-3767285740 [0,1,0,1,0,0|0,0,1]=3 1988 B9R1.38 CC1CC(=O)C(C1)(C)C MCULE-1944517389 [0,1,0,1,0,0|1,0,0]=3 1989 B9R1.38 CC1CC(=O)C(O1)(C)C MCULE-9055876569 [0,1,0,1,0,0|2,0,0]=4 1990 B9R1.41 CC(=O)C1CCOC1=O MCULE-4236075888 [0,1,0,1,0,0|1,0,1]=4 1991 B9R1.41 CC(=O)N1CCOC1=O MCULE-6944210144 [0,1,0,1,0,0|1,0,1]=4 1992 B9R1.41 CC(C)C1CCCC1=O MCULE-5590026729 [0,1,0,1,0,0|1,0,0]=3 1993 B9R1.41 CC(C)C1CCNC1=O MCULE-5673830362 [0,1,0,1,0,0|1,0,0]=3 1994 B9R1.41 CC(C)N1CCCC1=O MCULE-9119033242 [0,1,0,1,0,0|1,0,0]=3 1995 B9R1.41 CC(C)N1CCNC1=O MCULE-1546837295 [0,1,0,1,0,0|1,0,0]=3 1996 B9R1.41 CC(C)N1CCNC1=S MCULE-1176908936 [0,1,0,1,0,0|1,1,0]=4 1997 B9R1.41 CC(C)N1CCOC1=O MCULE-9080716253 [0,1,0,1,0,0|0,0,0]=2 1998 B9R1.41 CN(C)C1CCNC1=O MCULE-9030611073 [0,1,0,1,0,0|2,0,0]=4 1999 B9R1.48 CC1CC(=O)NCCN1 MCULE-4537177994 [0,1,0,1,0,0|1,0,0]=3 2000 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [0,1,0,1,0,0|1,0,0]=3 2001 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [0,1,0,1,0,0|1,0,0]=3 2002 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,1,0,1,0,0|2,0,0]=4 2003 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [0,1,0,1,0,0|2,0,0]=4 2004 B9R1.48 CC1CNCCS(=O)C1 MCULE-4138647352 [0,1,0,1,0,0|2,0,0]=4 2005 B9R1.48 CC1CNCCS(=O)C1 MCULE-4597207487 [0,1,0,1,0,0|2,0,0]=4 2006 B9R1.48 CN1CCCNC(=O)C1 MCULE-9846049599 [0,1,0,1,0,0|2,0,0]=4 2007 B9R1.48 C[C@H]1CC(=O)NCCN1 MCULE-6214285788 [0,1,0,1,0,0|1,0,0]=3 2008 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,1,0,1,0,0|2,0,0]=4 2009 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,1,0,1,0,0|2,0,0]=4 2010 B9R1.53 CC(=O)NC1CC(C1)N MCULE-1496549352 [0,1,0,1,0,0|2,0,0]=4 2011 B9R1.53 CC(=O)NC1CC(C1)N MCULE-5377217070 [0,1,0,1,0,0|2,0,0]=4 2012 B9R1.53 CC(=O)NC1CC(C1)N MCULE-5616964162 [0,1,0,1,0,0|2,0,0]=4 2013 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N MCULE-9021883914 [0,1,0,1,0,0|2,0,0]=4 2014 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N MCULE-9441277768 [0,1,0,1,0,0|2,0,0]=4 2015 B9R1.53 CC(=O)OC1CC(=O)C1 MCULE-7425005472 [0,1,0,1,0,0|1,0,1]=4 2016 B9R1.53 CC(C)CC1CC(=O)N1 MCULE-7772282181 [0,1,0,1,0,0|1,0,0]=3 2017 B9R1.53 CC(C)OC1CC(=O)C1 MCULE-3913451777 [0,1,0,1,0,0|2,0,0]=4 2018 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,1,0,1,0,0|1,0,0]=3 2019 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6114587935 [0,1,0,1,0,0|2,0,0]=4 2020 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6524445855 [0,1,0,1,0,0|2,0,0]=4 2021 B9R1.53 NC(=O)CC1CC(C1)N MCULE-4414712655 [0,1,0,1,0,0|2,0,0]=4 2022 B9R1.53 NC(=O)CC1CC(C1)N MCULE-6104457108 [0,1,0,1,0,0|2,0,0]=4 2023 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,1,0,1,0,0|2,0,0]=4 2024 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,1,0,1,0,0|2,0,0]=4 2025 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,1,0,1,0,0|2,0,0]=4 2026 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,1,0,1,0,0|2,0,0]=4 2027 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,1,0,1,0,0|2,0,0]=4 2028 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,1,0,1,0,0|2,0,0]=4 2029 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,1,0,1,0,0|2,0,0]=4 2030 B9R1.66 CC1(C=COC(=O)C1)C MCULE-6876256388 [0,1,0,1,0,0|0,0,2]=4 2031 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7066435466 [0,1,0,1,0,0|2,0,0]=4 2032 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7610772996 [0,1,0,1,0,0|2,0,0]=4 2033 B9R1.66 CC1(CC(=O)CCO1)C MCULE-8996731620 [0,1,0,1,0,0|2,0,0]=4 2034 B9R1.66 CC1(CC=CC(=O)C1)C MCULE-3774162320 [0,1,0,1,0,0|1,0,1]=4 2035 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [0,1,0,1,0,0|1,0,0]=3 2036 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,1,0,1,0,0|1,0,0]=3 2037 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,1,0,1,0,0|1,0,0]=3 2038 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,1,0,1,0,0|0,0,0]=2 2039 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,1,0,1,0,0|0,0,0]=2 2040 B9R1.66 CC1(CCOS(=O)O1)C MCULE-7552644708 [0,1,0,1,0,0|1,0,0]=3 2041 B9R1.66 CC1(CNCC(=O)N1)C MCULE-1640277430 [0,1,0,1,0,0|2,0,0]=4 2042 B9R1.66 CC1(CNCC(=O)N1)C MCULE-6894196220 [0,1,0,1,0,0|2,0,0]=4 2043 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,1,0,1,0,0|2,0,0]=4 2044 B9R1.66 CC1(COCC(=O)N1)C MCULE-4764218630 [0,1,0,1,0,0|2,0,0]=4 2045 B9R1.66 CC1(CSCC(=O)C1)C MCULE-2479165636 [0,1,0,1,0,0|2,0,0]=4 2046 B9R1.66 CC1CCOS(=O)(=O)O1 MCULE-9717144678 [0,1,0,1,0,0|2,0,0]=4 2047 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,1,0,1,0,0|0,0,0]=2 2048 B9R1.66 O=C1CC(CCN1)(F)F MCULE-3058421094 [0,1,0,1,0,0|2,0,0]=4 2049 B9R1.66 O=C1CC(CCN1)(F)F MCULE-7491921693 [0,1,0,1,0,0|2,0,0]=4 2050 B9R1.66 O=C1CCCC(C1)(F)F MCULE-2940546181 [0,1,0,1,0,0|2,0,0]=4 2051 B9R1.136 CC1(CC(C1)N=C=O)C MCULE-9631491979 [0,1,0,1,0,0|1,0,1]=4 2052 B9R1.136 O=CCC1CC(C1)(F)F MCULE-5006248684 [0,1,0,1,0,0|2,0,0]=4 2053 B9R1.136 O=CNC1CC(C1)(F)F MCULE-2816399344 [0,1,0,1,0,0|2,0,0]=4 2054 B9R1.1 C=C[C@H]1CC[C@@H](CC1)C MCULE-5121440754 [0,1,0,1,0,0|2,0,0]=4 2055 B9R1.1 CC1=CCC(CC1)C=O MCULE-5534930691 [0,1,0,1,0,0|1,0,1]=4 2056 B9R1.1 CC1CCC(=CBr)CC1 MCULE-5410482282 [0,1,0,1,0,0|2,0,0]=4 2057 B9R1.1 CC1CCC(CC1)C=O MCULE-9251304568 [0,1,0,1,0,0|1,0,0]=3 2058 B9R1.1 CN1CCC(CC1)C=O MCULE-8279393086 [0,1,0,1,0,0|2,0,0]=4 2059 B9R1.1 CN1CCC(CC1)C=O MCULE-9128415748 [0,1,0,1,0,0|2,0,0]=4 2060 B9R1.1 CN1CCN(CC1)C=O MCULE-7504231967 [0,1,0,1,0,0|2,0,0]=4 2061 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O MCULE-9199101836 [0,1,0,1,0,0|1,0,0]=3 2062 B9R1.1 O=CC1CCC(CC1)F MCULE-3555774319 [0,1,0,1,0,0|2,0,0]=4 2063 B9R1.1 O=CN1CCC(CC1)O MCULE-1725659935 [0,1,0,1,0,0|2,0,0]=4 2064 B9R1.2 C#CC1CCCC(=O)C1 MCULE-9347784864 [0,1,0,1,0,0|1,0,1]=4 2065 B9R1.2 C=C1CC(CCO1)C=O MCULE-3057874524 [0,1,0,1,0,0|1,0,1]=4 2066 B9R1.2 C=CC1CCCC(=O)C1 MCULE-4962666890 [0,1,0,1,0,0|1,0,1]=4 2067 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [0,1,0,1,0,0|1,0,1]=4 2068 B9R1.2 CC1CC(CCO1)C=O MCULE-4627853236 [0,1,0,1,0,0|1,0,0]=3 2069 B9R1.2 CC1CC(CCO1)CBr MCULE-2331277769 [0,1,0,1,0,0|1,0,1]=4 2070 B9R1.2 CC1CC(CCO1)CO MCULE-1147018894 [0,1,0,1,0,0|1,0,1]=4 2071 B9R1.2 CC1CCCC(C1)C=O MCULE-8003239715 [0,1,0,1,0,0|1,0,0]=3 2072 B9R1.2 CCC1CC(=O)CCN1 MCULE-1220676585 [0,1,0,1,0,0|2,0,0]=4 2073 B9R1.2 CCC1CC(=O)CCN1 MCULE-3141090997 [0,1,0,1,0,0|2,0,0]=4 2074 B9R1.2 CCC1CC(=O)CCO1 MCULE-5885330152 [0,1,0,1,0,0|2,0,0]=4 2075 B9R1.2 CCC1CCCC(=O)C1 MCULE-2309757845 [0,1,0,1,0,0|1,0,0]=3 2076 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [0,1,0,1,0,0|2,0,0]=4 2077 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [0,1,0,1,0,0|1,0,0]=3 2078 B9R1.2 CCN1CCCC(=O)C1 MCULE-1438900169 [0,1,0,1,0,0|2,0,0]=4 2079 B9R1.2 CCN1CCCC(=O)C1 MCULE-2924579479 [0,1,0,1,0,0|2,0,0]=4 2080 B9R1.2 CCN1CCNC(=O)C1 MCULE-1191268798 [0,1,0,1,0,0|2,0,0]=4 2081 B9R1.2 CCN1CCNC(=O)C1 MCULE-5823830618 [0,1,0,1,0,0|2,0,0]=4 2082 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-6816021578 [0,1,0,1,0,0|2,0,0]=4 2083 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-7481609929 [0,1,0,1,0,0|2,0,0]=4 2084 B9R1.2 CC[C@@H]1CCCC(=O)C1 MCULE-3781767777 [0,1,0,1,0,0|1,0,0]=3 2085 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-1797323490 [0,1,0,1,0,0|2,0,0]=4 2086 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-7692205564 [0,1,0,1,0,0|2,0,0]=4 2087 B9R1.2 CC[C@H]1CCCC(=O)C1 MCULE-5055612080 [0,1,0,1,0,0|1,0,0]=3 2088 B9R1.2 CN1CCCC(C1)C=O MCULE-8355946906 [0,1,0,1,0,0|2,0,0]=4 2089 B9R1.2 COC1CCCC(=O)C1 MCULE-4121364026 [0,1,0,1,0,0|1,0,0]=3 2090 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [0,1,0,1,0,0|2,0,0]=4 2091 B9R1.2 CSC1CCCC(=O)C1 MCULE-3076571291 [0,1,0,1,0,0|1,0,0]=3 2092 B9R1.2 N#CC1CCCC(=O)C1 MCULE-7187855455 [0,1,0,1,0,0|1,0,1]=4 2093 B9R1.2 N#CC1CCNC(=O)C1 MCULE-8868530643 [0,1,0,1,0,0|1,0,1]=4 2094 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,1,0,0|2,0,0]=4 2095 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,1,0,0|2,0,0]=4 2096 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,1,0,0|2,0,0]=4 2097 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,1,0,0|1,0,0]=3 2098 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,1,0,0|1,0,0]=3 2099 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,1,0,0|2,0,0]=4 2100 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,1,0,0|2,0,0]=4 2101 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,1,0,0|1,0,0]=3 2102 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,1,0,0|1,0,0]=3 2103 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,1,0,0|0,0,2]=4 2104 B9R1.2 O=C1CC(CCN1)CBr MCULE-5514747029 [0,1,0,1,0,0|1,0,0]=3 2105 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,1,0,0|1,0,0]=3 2106 B9R1.2 O=C1CCCC(C1)CF MCULE-4859859394 [0,1,0,1,0,0|1,0,0]=3 2107 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [0,1,0,1,0,0|1,0,0]=3 2108 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,1,0,1,0,0|2,0,0]=4 2109 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,1,0,1,0,0|2,0,0]=4 2110 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [0,1,0,1,0,0|1,0,0]=3 2111 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,1,0,1,0,0|2,0,0]=4 2112 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,1,0,1,0,0|2,0,0]=4 2113 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,1,0,0|1,0,0]=3 2114 B9R1.2 O=CC1CCNC(C1)Br MCULE-8861349259 [0,1,0,1,0,0|2,0,0]=4 2115 B9R1.2 O=S1OCCC(O1)CCl MCULE-2917940908 [0,1,0,1,0,0|2,0,0]=4 2116 B9R1.3 CC1=C(C(=O)CCC1)C MCULE-2092030294 [0,1,0,1,0,0|1,0,1]=4 2117 B9R1.3 CC1C(=O)NCCN1C MCULE-4438877653 [0,1,0,1,0,0|2,0,0]=4 2118 B9R1.3 CC1C(=O)NCCN1C MCULE-5252043587 [0,1,0,1,0,0|2,0,0]=4 2119 B9R1.3 CC1CCCC(=O)C1=O MCULE-3677088238 [0,1,0,1,0,0|1,0,1]=4 2120 B9R1.3 CC1CCCC(=O)C1C MCULE-1705022712 [0,1,0,1,0,0|1,0,0]=3 2121 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,1,0,0|1,0,0]=3 2122 B9R1.3 CC1CNCC(=O)N1C MCULE-6146515954 [0,1,0,1,0,0|2,0,0]=4 2123 B9R1.3 CC1CNCC(=O)N1C MCULE-6324850501 [0,1,0,1,0,0|2,0,0]=4 2124 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-2631912609 [0,1,0,1,0,0|2,0,0]=4 2125 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-3626784899 [0,1,0,1,0,0|2,0,0]=4 2126 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-5129830315 [0,1,0,1,0,0|2,0,0]=4 2127 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-9747041418 [0,1,0,1,0,0|2,0,0]=4 2128 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-1364393332 [0,1,0,1,0,0|2,0,0]=4 2129 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-4965977180 [0,1,0,1,0,0|2,0,0]=4 2130 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-5863604180 [0,1,0,1,0,0|2,0,0]=4 2131 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-8897457682 [0,1,0,1,0,0|2,0,0]=4 2132 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,1,0,0|2,0,0]=4 2133 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,1,0,0|2,0,0]=4 2134 B9R1.16 C=CCCCC1CC1O MCULE-3233207097 [0,1,0,1,0,0|2,0,0]=4 2135 B9R1.49 CC1CCCC(=O)CC1 MCULE-8026581790 [0,1,0,1,0,0|1,0,0]=3 2136 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,1,0,1,0,0|1,0,0]=3 2137 B9R1.49 CC1CNC(=O)CCN1 MCULE-4770101901 [0,1,0,1,0,0|2,0,0]=4 2138 B9R1.49 CC1CNC(=O)CCN1 MCULE-5299288950 [0,1,0,1,0,0|2,0,0]=4 2139 B9R1.49 CN1CCCC(=O)CC1 MCULE-1607887623 [0,1,0,1,0,0|2,0,0]=4 2140 B9R1.49 CN1CCCC(=O)CC1 MCULE-9380092932 [0,1,0,1,0,0|2,0,0]=4 2141 B9R1.49 CN1CCNC(=O)CC1 MCULE-4386852783 [0,1,0,1,0,0|2,0,0]=4 2142 B9R1.49 CN1CCNC(=O)CC1 MCULE-7599377981 [0,1,0,1,0,0|2,0,0]=4 2143 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,1,0,1,0,0|2,0,0]=4 2144 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,1,0,1,0,0|2,0,0]=4 2145 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,1,0,1,0,0|2,0,0]=4 2146 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,1,0,1,0,0|2,0,0]=4 2147 B9R1.49 O=C1CCCC(CC1)F MCULE-3071750497 [0,1,0,1,0,0|2,0,0]=4 2148 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,1,0,1,0,0|2,0,0]=4 2149 B9R1.58 CCOC1CC(C1)CBr MCULE-3252036766 [0,1,0,1,0,0|1,0,1]=4 2150 B9R1.58 CCOC1CC(C1)CO MCULE-8200075252 [0,1,0,1,0,0|1,0,1]=4 2151 B9R1.58 CCOC1CC(C1)NC MCULE-1959940262 [0,1,0,1,0,0|1,0,1]=4 2152 B9R1.58 CCOC1CC(C1)NC MCULE-9617846923 [0,1,0,1,0,0|1,0,1]=4 2153 B9R1.89 BrCC1CCC=CCC1 MCULE-9984652936 [0,1,0,1,0,0|2,0,0]=4 2154 B9R1.89 NCC1CCC=CCC1 MCULE-1455099729 [0,1,0,1,0,0|2,0,0]=4 2155 B9R1.89 NCC1CCC=CCC1 MCULE-3011806981 [0,1,0,1,0,0|2,0,0]=4 2156 B9R1.89 OCC1CCC=CCC1 MCULE-1974756879 [0,1,0,1,0,0|2,0,0]=4 2157 B9R1.118 CC1(CC=CCC1)CO MCULE-9048517900 [0,1,0,1,0,0|2,0,0]=4 2158 B9R1.118 CC1(CCOCC1)CN MCULE-3479710651 [0,1,0,1,0,0|1,0,1]=4 2159 B9R1.118 CC1(CCOCC1)CN MCULE-7911793310 [0,1,0,1,0,0|1,0,1]=4 2160 B9R1.118 CC1(CCOCC1)CO MCULE-5535447172 [0,1,0,1,0,0|1,0,1]=4 2161 B9R1.202 CC1(CCNC1=O)CO MCULE-3034841692 [0,1,0,1,0,0|1,0,0]=3 2162 B9R1.202 CCC1(CCCC1=O)C MCULE-6845043548 [0,1,0,1,0,0|1,0,0]=3 2163 B9R1.202 CCC1(CCNC1=O)C MCULE-7294526579 [0,1,0,1,0,0|1,0,0]=3 2164 B9R1.6 CC(C)C1=CC=CCC1 MCULE-7070052938 [0,1,0,1,0,0|2,0,0]=4 2165 B9R1.6 CC(C)C1COCCN1 MCULE-3040124794 [0,1,0,1,0,0|1,0,1]=4 2166 B9R1.6 CC(C)C1COCCN1 MCULE-6750910871 [0,1,0,1,0,0|1,0,1]=4 2167 B9R1.6 CC(C)N1CCOCC1 MCULE-4479712624 [0,1,0,1,0,0|1,0,1]=4 2168 B9R1.6 CC(C)[C@@H]1COCCN1 MCULE-2588609873 [0,1,0,1,0,0|1,0,1]=4 2169 B9R1.6 CC(C)[C@@H]1COCCN1 MCULE-2886251533 [0,1,0,1,0,0|1,0,1]=4 2170 B9R1.6 CC(C)[C@@H]1COCCN1 MCULE-5127196087 [0,1,0,1,0,0|1,0,1]=4 2171 B9R1.6 CC(C)[C@@H]1COCCN1 MCULE-7731487867 [0,1,0,1,0,0|1,0,1]=4 2172 B9R1.6 CC(C)[C@H]1COCCN1 MCULE-2498897050 [0,1,0,1,0,0|1,0,1]=4 2173 B9R1.6 CC(C)[C@H]1COCCN1 MCULE-4664147389 [0,1,0,1,0,0|1,0,1]=4 2174 B9R1.6 CC(C)[C@H]1COCCN1 MCULE-6371697737 [0,1,0,1,0,0|1,0,1]=4 2175 B9R1.6 CC(C)[C@H]1COCCN1 MCULE-9896354681 [0,1,0,1,0,0|1,0,1]=4 2176 B9R1.24 CC1(CCOC1C=O)C MCULE-9559919142 [0,1,0,1,0,0|0,0,0]=2 2177 B9R1.24 CC1(CCOC1CI)C MCULE-2778621135 [0,1,0,1,0,0|1,0,1]=4 2178 B9R1.24 CC1(CCSC1=CCl)C MCULE-1675564000 [0,1,0,1,0,0|1,1,0]=4 2179 B9R1.40 CC1(C=CCCC1=O)C MCULE-5690264731 [0,1,0,1,0,0|1,0,1]=4 2180 B9R1.40 CC1(CCC=CC1=O)C MCULE-1811364024 [0,1,0,1,0,0|1,0,0]=3 2181 B9R1.40 CC1(CCCCC1=O)C MCULE-8496149275 [0,1,0,1,0,0|1,0,0]=3 2182 B9R1.40 CC1(CCCCC1=O)Cl MCULE-4801960774 [0,1,0,1,0,0|2,0,0]=4 2183 B9R1.40 CC1(CCCNC1=O)C MCULE-4245207122 [0,1,0,1,0,0|1,0,0]=3 2184 B9R1.40 CC1(CCCNC1=O)N MCULE-5500513283 [0,1,0,1,0,0|2,0,0]=4 2185 B9R1.40 CC1(CCCNC1=O)N MCULE-5995809623 [0,1,0,1,0,0|2,0,0]=4 2186 B9R1.40 CC1(CCCOC1=O)C MCULE-9200729474 [0,1,0,1,0,0|0,0,0]=2 2187 B9R1.40 CC1(CCNCC1=O)C MCULE-8773076138 [0,1,0,1,0,0|1,0,0]=3 2188 B9R1.40 CC1(CNCCC1=O)C MCULE-5070569514 [0,1,0,1,0,0|1,0,0]=3 2189 B9R1.40 CC1(CNCCC1=O)C MCULE-7248994046 [0,1,0,1,0,0|1,0,0]=3 2190 B9R1.40 CC1(COC=CC1=O)C MCULE-6422133092 [0,1,0,1,0,0|1,0,1]=4 2191 B9R1.40 CC1(COCCC1=O)C MCULE-2901452802 [0,1,0,1,0,0|1,0,0]=3 2192 B9R1.40 CC1(NCCNC1=O)C MCULE-5729807670 [0,1,0,1,0,0|1,0,0]=3 2193 B9R1.40 CC1(NCCOC1=O)C MCULE-4468431509 [0,1,0,1,0,0|0,0,0]=2 2194 B9R1.40 CC1(OCCCC1=O)C MCULE-1810586504 [0,1,0,1,0,0|1,0,0]=3 2195 B9R1.40 CC1(SCCNC1=O)C MCULE-8853284892 [0,1,0,1,0,0|1,0,0]=3 2196 B9R1.67 CC(O)CC1CCC1=O MCULE-5157418140 [0,1,0,1,0,0|2,0,0]=4 2197 B9R1.85 NC(=S)NCCC1CC1 MCULE-2774330420 [0,1,0,1,0,0|1,1,0]=4 2198 B9R1.85 O=C(O)CCCC1CC1 MCULE-4019156455 [0,1,0,1,0,0|1,0,0]=3 2199 B9R1.85 O=C(O)CCNC1CC1 MCULE-2302148090 [0,1,0,1,0,0|2,0,0]=4 2200 B9R1.85 O=C(O)CCNC1CC1 MCULE-5027011962 [0,1,0,1,0,0|2,0,0]=4 2201 B9R1.85 O=C(O)CCOC1CC1 MCULE-6940104376 [0,1,0,1,0,0|2,0,0]=4 2202 B9R1.85 O=C(O)CCSC1CC1 MCULE-5319803876 [0,1,0,1,0,0|2,0,0]=4 2203 B9R1.85 O=C(O)CNCC1CC1 MCULE-2914571109 [0,1,0,1,0,0|2,0,0]=4 2204 B9R1.85 O=C(O)CNCC1CC1 MCULE-8479764724 [0,1,0,1,0,0|2,0,0]=4 2205 B9R1.85 O=C(O)COCC1CC1 MCULE-1838251623 [0,1,0,1,0,0|2,0,0]=4 2206 B9R1.85 O=C(O)CSCC1CC1 MCULE-7765855577 [0,1,0,1,0,0|2,0,0]=4 2207 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,1,0,1,0,0|2,0,0]=4 2208 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,1,0,1,0,0|2,0,0]=4 2209 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,1,0,1,0,0|2,0,0]=4 2210 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,1,0,1,0,0|2,0,0]=4 2211 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,1,0,1,0,0|1,0,1]=4 2212 B9R1.35 CC(=O)N1CCC(C1)Br MCULE-8355936501 [0,1,0,1,0,0|2,0,0]=4 2213 B9R1.35 CC(=O)N1CCC(C1)Cl MCULE-6832350132 [0,1,0,1,0,0|2,0,0]=4 2214 B9R1.35 CC(=O)N1CCC(C1)I MCULE-8317311112 [0,1,0,1,0,0|2,0,0]=4 2215 B9R1.35 CC(=O)N1CCC(C1)N MCULE-4859899694 [0,1,0,1,0,0|2,0,0]=4 2216 B9R1.35 CC(=O)N1CCC(C1)N MCULE-5207016672 [0,1,0,1,0,0|2,0,0]=4 2217 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,1,0,1,0,0|2,0,0]=4 2218 B9R1.35 CC(=O)N1CC[C@@H](C1)Br MCULE-1322966275 [0,1,0,1,0,0|2,0,0]=4 2219 B9R1.35 CC(=O)N1CC[C@@H](C1)Cl MCULE-2029967624 [0,1,0,1,0,0|2,0,0]=4 2220 B9R1.35 CC(=O)N1CC[C@@H](C1)I MCULE-7320383470 [0,1,0,1,0,0|2,0,0]=4 2221 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-2398948421 [0,1,0,1,0,0|2,0,0]=4 2222 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-5902852942 [0,1,0,1,0,0|2,0,0]=4 2223 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-7792031754 [0,1,0,1,0,0|2,0,0]=4 2224 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-9501815600 [0,1,0,1,0,0|2,0,0]=4 2225 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,1,0,1,0,0|2,0,0]=4 2226 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,1,0,1,0,0|2,0,0]=4 2227 B9R1.35 CC(=O)N1CC[C@H](C1)Br MCULE-4315476515 [0,1,0,1,0,0|2,0,0]=4 2228 B9R1.35 CC(=O)N1CC[C@H](C1)Cl MCULE-4172580306 [0,1,0,1,0,0|2,0,0]=4 2229 B9R1.35 CC(=O)N1CC[C@H](C1)I MCULE-1825691667 [0,1,0,1,0,0|2,0,0]=4 2230 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-2775875761 [0,1,0,1,0,0|2,0,0]=4 2231 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-3800389790 [0,1,0,1,0,0|2,0,0]=4 2232 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-5934390450 [0,1,0,1,0,0|2,0,0]=4 2233 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-6629805054 [0,1,0,1,0,0|2,0,0]=4 2234 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,1,0,1,0,0|2,0,0]=4 2235 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,1,0,1,0,0|2,0,0]=4 2236 B9R1.35 CC(C)C1CC(=O)CS1 MCULE-5750458738 [0,1,0,1,0,0|2,0,0]=4 2237 B9R1.35 CC(C)C1CCC(=O)C1 MCULE-7380487072 [0,1,0,1,0,0|1,0,0]=3 2238 B9R1.35 CC(C)C1CCC(=O)N1 MCULE-4396910868 [0,1,0,1,0,0|1,0,0]=3 2239 B9R1.35 CC(C)C1CNC(=O)C1 MCULE-5597835363 [0,1,0,1,0,0|1,0,0]=3 2240 B9R1.35 CC(C)C1CNC(=O)O1 MCULE-1501293157 [0,1,0,1,0,0|1,0,0]=3 2241 B9R1.35 CC(C)C1COC(=O)N1 MCULE-1965076998 [0,1,0,1,0,0|0,0,0]=2 2242 B9R1.35 CC(C)C1COC(=O)N1 MCULE-2788936532 [0,1,0,1,0,0|0,0,0]=2 2243 B9R1.35 CC(C)C1COC(=S)N1 MCULE-4691689619 [0,1,0,1,0,0|0,1,0]=3 2244 B9R1.35 CC(C)C1CSC(=S)N1 MCULE-8757810363 [0,1,0,1,0,0|0,2,0]=4 2245 B9R1.35 CC(C)C1CSC(=S)N1 MCULE-9879283190 [0,1,0,1,0,0|0,2,0]=4 2246 B9R1.35 CC(C)N1CCC(=O)C1 MCULE-4733756121 [0,1,0,1,0,0|2,0,0]=4 2247 B9R1.35 CC(C)N1CCC(=O)C1 MCULE-5325562203 [0,1,0,1,0,0|2,0,0]=4 2248 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-8463254156 [0,1,0,1,0,0|1,0,0]=3 2249 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-9798698843 [0,1,0,1,0,0|1,0,0]=3 2250 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1277886960 [0,1,0,1,0,0|0,0,0]=2 2251 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1343977474 [0,1,0,1,0,0|0,0,0]=2 2252 B9R1.35 CC(C)[C@@H]1COC(=S)N1 MCULE-8949615505 [0,1,0,1,0,0|0,1,0]=3 2253 B9R1.35 CC(C)[C@@H]1COC(=S)N1 MCULE-9596314105 [0,1,0,1,0,0|0,1,0]=3 2254 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 MCULE-3579607661 [0,1,0,1,0,0|0,2,0]=4 2255 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 MCULE-6745343543 [0,1,0,1,0,0|0,2,0]=4 2256 B9R1.35 CC(C)[C@H]1CCC(=O)N1 MCULE-1275403270 [0,1,0,1,0,0|1,0,0]=3 2257 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5403273241 [0,1,0,1,0,0|0,0,0]=2 2258 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5661692505 [0,1,0,1,0,0|0,0,0]=2 2259 B9R1.35 CC(C)[C@H]1COC(=S)N1 MCULE-4905728060 [0,1,0,1,0,0|0,1,0]=3 2260 B9R1.35 CC(C)[C@H]1COC(=S)N1 MCULE-8676740424 [0,1,0,1,0,0|0,1,0]=3 2261 B9R1.35 CC(C)[C@H]1CSC(=S)N1 MCULE-1723808706 [0,1,0,1,0,0|0,2,0]=4 2262 B9R1.35 CC(C)[C@H]1CSC(=S)N1 MCULE-6313365924 [0,1,0,1,0,0|0,2,0]=4 2263 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,1,0,1,0,0|2,0,0]=4 2264 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,1,0,1,0,0|1,0,0]=3 2265 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,1,0,1,0,0|2,0,0]=4 2266 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,1,0,1,0,0|2,0,0]=4 2267 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,1,0,1,0,0|2,0,0]=4 2268 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [0,1,0,1,0,0|1,0,0]=3 2269 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,1,0,1,0,0|2,0,0]=4 2270 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,1,0,1,0,0|2,0,0]=4 2271 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,1,0,1,0,0|2,0,0]=4 2272 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,1,0,1,0,0|2,0,0]=4 2273 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,1,0,1,0,0|2,0,0]=4 2274 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,1,0,1,0,0|2,0,0]=4 2275 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,1,0,1,0,0|2,0,0]=4 2276 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,1,0,1,0,0|2,0,0]=4 2277 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,1,0,1,0,0|2,0,0]=4 2278 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,1,0,1,0,0|2,0,0]=4 2279 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,1,0,1,0,0|2,0,0]=4 2280 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,1,0,1,0,0|2,0,0]=4 2281 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,1,0,1,0,0|2,0,0]=4 2282 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,1,0,1,0,0|2,0,0]=4 2283 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,1,0,1,0,0|2,0,0]=4 2284 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,1,0,1,0,0|2,0,0]=4 2285 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,1,0,1,0,0|2,0,0]=4 2286 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,1,0,1,0,0|2,0,0]=4 2287 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,1,0,1,0,0|2,0,0]=4 2288 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,1,0,1,0,0|2,0,0]=4 2289 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,1,0,1,0,0|2,0,0]=4 2290 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,1,0,1,0,0|2,0,0]=4 2291 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,1,0,1,0,0|2,0,0]=4 2292 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,1,0,1,0,0|2,0,0]=4 2293 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,1,0,1,0,0|2,0,0]=4 2294 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,1,0,1,0,0|2,0,0]=4 2295 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,1,0,1,0,0|2,0,0]=4 2296 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,1,0,1,0,0|2,0,0]=4 2297 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,1,0,1,0,0|2,0,0]=4 2298 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,1,0,1,0,0|2,0,0]=4 2299 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,1,0,1,0,0|2,0,0]=4 2300 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,1,0,1,0,0|2,0,0]=4 2301 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,1,0,1,0,0|2,0,0]=4 2302 B9R1.35 NC(=O)N1CCC(C1)N MCULE-1767398338 [0,1,0,1,0,0|2,0,0]=4 2303 B9R1.35 NC(=O)N1CCC(C1)N MCULE-2883297977 [0,1,0,1,0,0|2,0,0]=4 2304 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,1,0,1,0,0|2,0,0]=4 2305 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,1,0,1,0,0|2,0,0]=4 2306 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,1,0,1,0,0|2,0,0]=4 2307 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,1,0,1,0,0|2,0,0]=4 2308 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,1,0,1,0,0|2,0,0]=4 2309 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,1,0,1,0,0|2,0,0]=4 2310 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,1,0,1,0,0|2,0,0]=4 2311 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,1,0,1,0,0|2,0,0]=4 2312 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,1,0,1,0,0|2,0,0]=4 2313 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,1,0,1,0,0|2,0,0]=4 2314 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,1,0,1,0,0|2,0,0]=4 2315 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,1,0,1,0,0|2,0,0]=4 2316 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,1,0,1,0,0|2,0,0]=4 2317 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,1,0,1,0,0|2,0,0]=4 2318 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,1,0,1,0,0|2,0,0]=4 2319 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,1,0,1,0,0|2,0,0]=4 2320 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,1,0,1,0,0|2,0,0]=4 2321 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,1,0,1,0,0|2,0,0]=4 2322 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,1,0,1,0,0|2,0,0]=4 2323 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,1,0,1,0,0|2,0,0]=4 2324 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,1,0,1,0,0|2,0,0]=4 2325 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,1,0,1,0,0|2,0,0]=4 2326 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,1,0,1,0,0|2,0,0]=4 2327 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,1,0,1,0,0|2,0,0]=4 2328 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,1,0,1,0,0|2,0,0]=4 2329 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,1,0,1,0,0|2,0,0]=4 2330 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,1,0,1,0,0|2,0,0]=4 2331 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,1,0,1,0,0|2,0,0]=4 2332 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,1,0,1,0,0|2,0,0]=4 2333 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,1,0,1,0,0|2,0,0]=4 2334 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,1,0,1,0,0|2,0,0]=4 2335 B9R1.35 O=C1NC(CO1)C(F)F MCULE-9276805254 [0,1,0,1,0,0|2,0,0]=4 2336 B9R1.35 O=C1NC(CO1)C(F)F MCULE-9991194163 [0,1,0,1,0,0|2,0,0]=4 2337 B9R1.35 O=C1N[C@@H](CO1)C(F)F MCULE-6542638611 [0,1,0,1,0,0|2,0,0]=4 2338 B9R1.35 O=C1N[C@@H](CO1)C(F)F MCULE-9822122989 [0,1,0,1,0,0|2,0,0]=4 2339 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,1,0,1,0,0|2,0,0]=4 2340 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,1,0,1,0,0|2,0,0]=4 2341 B9R1.69 CC1CC(=O)C(CN1)C MCULE-5034091059 [0,1,0,1,0,0|2,0,0]=4 2342 B9R1.69 CC1CC(=O)C(CN1)C MCULE-7684286370 [0,1,0,1,0,0|2,0,0]=4 2343 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [0,1,0,1,0,0|1,0,1]=4 2344 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,1,0,1,0,0|1,0,0]=3 2345 B9R1.69 CC1CC(=O)CCN1C MCULE-7342530598 [0,1,0,1,0,0|2,0,0]=4 2346 B9R1.69 CC1CCC(=O)CC1C MCULE-5304188182 [0,1,0,1,0,0|1,0,0]=3 2347 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,1,0,1,0,0|1,0,0]=3 2348 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,1,0,1,0,0|2,0,0]=4 2349 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,1,0,1,0,0|2,0,0]=4 2350 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,1,0,0|2,0,0]=4 2351 B9R1.69 CN1CCC(CC1=O)N MCULE-1615743106 [0,1,0,1,0,0|2,0,0]=4 2352 B9R1.69 CN1CCC(CC1=O)N MCULE-3669689846 [0,1,0,1,0,0|2,0,0]=4 2353 B9R1.69 CN1CCC(CC1=O)N MCULE-9029127990 [0,1,0,1,0,0|2,0,0]=4 2354 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2173200677 [0,1,0,1,0,0|2,0,0]=4 2355 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2636791104 [0,1,0,1,0,0|2,0,0]=4 2356 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-5158680305 [0,1,0,1,0,0|2,0,0]=4 2357 B9R1.69 CN1CC[C@H](CC1=O)N MCULE-1652984259 [0,1,0,1,0,0|2,0,0]=4 2358 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,1,0,1,0,0|1,0,0]=3 2359 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,1,0,1,0,0|1,0,0]=3 2360 B9R1.100 C=CCCC(O)C1CC1 MCULE-7733391384 [0,1,0,1,0,0|2,0,0]=4 2361 B9R1.106 CC1(C(=O)CCC1=O)C MCULE-2491276008 [0,1,0,1,0,0|1,0,1]=4 2362 B9R1.106 CC1(C(=O)CCC1O)C MCULE-3636393805 [0,1,0,1,0,0|1,0,0]=3 2363 B9R1.106 CC1(C(=O)COC1=O)C MCULE-4169378372 [0,1,0,1,0,0|0,0,1]=3 2364 B9R1.106 CC1(C(=O)NCC1N)C MCULE-8754705727 [0,1,0,1,0,0|1,0,0]=3 2365 B9R1.106 CC1(C(=O)NC[C@@H]1N)C MCULE-1926232108 [0,1,0,1,0,0|1,0,0]=3 2366 B9R1.106 CC1(C(=O)NC[C@@H]1N)C MCULE-8824415523 [0,1,0,1,0,0|1,0,0]=3 2367 B9R1.106 CC1(C(=O)NC[C@H]1N)C MCULE-2199732058 [0,1,0,1,0,0|1,0,0]=3 2368 B9R1.106 CC1(C(=O)NC[C@H]1N)C MCULE-7384902839 [0,1,0,1,0,0|1,0,0]=3 2369 B9R1.106 CN1CCC(=O)C1(C)C MCULE-4067305018 [0,1,0,1,0,0|2,0,0]=4 2370 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6247915400 [0,1,0,1,0,0|1,0,0]=3 2371 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6635734630 [0,1,0,1,0,0|1,0,0]=3 2372 B9R1.10 CC1(C=CC(=O)CC1)C MCULE-5124770449 [0,1,0,1,0,0|2,0,0]=4 2373 B9R1.10 CC1(C=CC(CC1)N)C MCULE-5145393290 [0,1,0,1,0,0|2,0,0]=4 2374 B9R1.10 CC1(CC=C(CC1)Br)C MCULE-3834862289 [0,1,0,1,0,0|2,0,0]=4 2375 B9R1.133 CC1(CC(CO1)C=O)C MCULE-5892294850 [0,1,0,1,0,0|2,0,0]=4 2376 B9R1.133 CC1(OCC(O1)C=O)C MCULE-2415914691 [0,1,0,1,0,0|2,0,0]=4 2377 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-1837843473 [0,1,0,1,0,0|2,0,0]=4 2378 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-9001101986 [0,1,0,1,0,0|2,0,0]=4 2379 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-2355273726 [0,1,0,1,0,0|2,0,0]=4 2380 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-3931300162 [0,1,0,1,0,0|2,0,0]=4 2381 B9R1.133 O=CC1CCC(C1)(F)F MCULE-5329563589 [0,1,0,1,0,0|2,0,0]=4 2382 B9R1.138 CC1(CCC(=O)C1=O)C MCULE-2832918423 [0,1,0,1,0,0|1,0,0]=3 2383 B9R1.138 CC1(CCC(C1=O)Br)C MCULE-1239203799 [0,1,0,1,0,0|1,0,0]=3 2384 B9R1.138 CC1(CCC(C1=O)Cl)C MCULE-9064906453 [0,1,0,1,0,0|1,0,0]=3 2385 B9R1.138 CC1(CNC(=O)C1=O)C MCULE-2391669444 [0,1,0,1,0,0|2,0,0]=4 2386 B9R1.138 CC1(COC(=O)C1=O)C MCULE-2752948754 [0,1,0,1,0,0|2,0,0]=4 2387 B9R1.68 CC(C)(C)C1CCC1=O MCULE-2561758479 [0,1,0,1,0,0|1,0,0]=3 2388 B9R1.150 CC1(CCNS1(=O)=O)C MCULE-6535067319 [0,1,0,1,0,0|2,0,0]=4 2389 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,1,0,1,0,0|1,0,0]=3 2390 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,1,0,1,0,0|2,0,0]=4 2391 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,1,0,1,0,0|1,0,0]=3 2392 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,1,0,1,0,0|2,0,0]=4 2393 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,1,0,1,0,0|2,0,0]=4 2394 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,1,0,1,0,0|2,0,0]=4 2395 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,1,0,1,0,0|2,0,0]=4 2396 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,1,0,1,0,0|2,0,0]=4 2397 B9R1.170 CC1(CC1CC(=O)O)C MCULE-4662857705 [0,1,0,1,0,0|1,0,0]=3 2398 B9R2.39 CC1CC2C=CC1C2 MCULE-3947603169 [0,0,0,2,0,0|2,0,0]=4 2399 B9R2.39 O=C1CC2CC1CN2 MCULE-1513637451 [0,0,0,2,0,0|2,0,0]=4 2400 B9R2.39 O=C1CC2CC1CN2 MCULE-8245110165 [0,0,0,2,0,0|2,0,0]=4 2401 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [0,0,0,2,0,0|1,0,0]=3 2402 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,2,0,0|2,0,0]=4 2403 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,2,0,0|2,0,0]=4 2404 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [0,0,0,2,0,0|2,0,0]=4 2405 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,2,0,0|2,0,0]=4 2406 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,2,0,0|2,0,0]=4 2407 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [0,0,0,2,0,0|2,0,0]=4 2408 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [0,0,0,2,0,0|2,0,0]=4 2409 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [0,0,0,2,0,0|1,0,0]=3 2410 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [0,0,0,2,0,0|1,0,0]=3 2411 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,0,0,2,0,0|2,0,0]=4 2412 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,0,0,2,0,0|2,0,0]=4 2413 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,0,0,2,0,0|2,0,0]=4 2414 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [0,0,0,2,0,0|2,0,0]=4 2415 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,0,0,2,0,0|2,0,0]=4 2416 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [0,0,0,2,0,0|1,0,0]=3 2417 B9R2.47 O=CC1CC2CC2C1 MCULE-3086245534 [0,0,0,2,0,0|1,0,0]=3 2418 B9R2.68 C1=CC2CCC(C1)C2 MCULE-8992637581 [0,0,0,2,0,0|2,0,0]=4 2419 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-3286132303 [0,0,0,2,0,0|2,0,0]=4 2420 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-8863392768 [0,0,0,2,0,0|2,0,0]=4 2421 B9R2.8 O=C1CC2CC(C1)C2 MCULE-9643976907 [0,0,0,2,0,0|1,0,0]=3 2422 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,0,0,2,0,0|2,0,0]=4 2423 B9R2.21 CC1CCC2OC2C1 MCULE-6465413460 [0,0,0,2,0,0|1,0,1]=4 2424 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,2,0,0|1,0,0]=3 2425 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,2,0,0|2,0,0]=4 2426 B9R2.109 O=C1CCCC2C1C2 MCULE-3371095042 [0,0,0,2,0,0|1,0,0]=3 2427 B9R2.109 O=C1CCCC2C1O2 MCULE-6955178123 [0,0,0,2,0,0|2,0,0]=4 2428 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,2,0,0|1,0,0]=3 2429 B9R2.109 [C@@H]12CCCC(=O)[C@@H]1C2 MCULE-9081823070 [0,0,0,2,0,0|1,0,0]=3 2430 B9R2.84 C=CCC12CC(C1)C2 MCULE-2677733140 [0,0,0,2,0,0|2,0,0]=4 2431 B9R2.5 O=C1CCCC12CC2 MCULE-5278125581 [0,0,0,2,0,0|1,0,0]=3 2432 B9R2.5 O=C1CCNC12CC2 MCULE-6498323713 [0,0,0,2,0,0|2,0,0]=4 2433 B9R2.5 O=C1NCCC12CC2 MCULE-4724464660 [0,0,0,2,0,0|1,0,0]=3 2434 B9R2.5 O=C1OCCC12CC2 MCULE-6263987451 [0,0,0,2,0,0|0,0,0]=2 2435 B9R2.5 O=C1OCCC12CO2 MCULE-2333540011 [0,0,0,2,0,0|1,0,0]=3 2436 B9R2.36 O=C1CCC1C2CC2 MCULE-3575149724 [0,0,0,2,0,0|1,0,0]=3