0 B10R0.71 C=CC=CC=CCCCCC MCULE-9947050551 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.71 CCCCC/C=C/C=C/C=O MCULE-8478423084 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.71 CCCCC/C=C\CCCO MCULE-5673742797 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.71 CCCCCC=CC=CC=O MCULE-9055179345 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [0,0,0,0,0,0|0,0,2]=2 7 B10R0.71 CCCCCC=CCCCO MCULE-4774794120 [0,0,0,0,0,0|0,0,4]=4 8 B10R0.71 CCCCCCC=CCCO MCULE-7637000822 [0,0,0,0,0,0|0,0,4]=4 9 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [0,0,0,0,0,0|0,0,2]=2 10 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [0,0,0,0,0,0|0,0,4]=4 11 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [0,0,0,0,0,0|0,0,4]=4 12 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [0,0,0,0,0,0|1,0,3]=4 13 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [0,0,0,0,0,0|1,0,3]=4 14 B9R0.45 C(=CCCCC=C)CC=C MCULE-3670824396 [1,0,0,0,0,0|0,0,3]=4 15 B9R0.45 C=CC/C=C\CCCC=C MCULE-9571175453 [1,0,0,0,0,0|0,0,3]=4 16 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [1,0,0,0,0,0|0,0,3]=4 17 B9R0.45 CC/C=C/CC/C=C/C=O MCULE-2319284095 [1,0,0,0,0,0|0,0,3]=4 18 B9R0.45 CC/C=C\CC/C=C/C=O MCULE-3029314831 [1,0,0,0,0,0|0,0,3]=4 19 B9R0.45 CC=CCCCCCCC MCULE-6461098537 [1,0,0,0,0,0|0,0,3]=4 20 B9R0.45 CCC=CCCC=CC=O MCULE-1244351376 [1,0,0,0,0,0|0,0,3]=4 21 B9R0.45 CCCC/C=C/C=C/C=O MCULE-8109760299 [1,0,0,0,0,0|0,0,0]=1 22 B9R0.45 CCCCC/C=C\CCO MCULE-4434068395 [1,0,0,0,0,0|0,0,3]=4 23 B9R0.45 CCCCC=CC=CC=O MCULE-6291163980 [1,0,0,0,0,0|0,0,0]=1 24 B9R0.45 CCCCCC/C=C/C=O MCULE-5281758989 [1,0,0,0,0,0|0,0,1]=2 25 B9R0.45 CCCCCC/C=C/CO MCULE-1969100525 [1,0,0,0,0,0|0,0,3]=4 26 B9R0.45 CCCCCC/C=C\CO MCULE-4688229291 [1,0,0,0,0,0|0,0,3]=4 27 B9R0.45 CCCCCC=CCCO MCULE-4969061256 [1,0,0,0,0,0|0,0,3]=4 28 B9R0.45 CCCCCCC=CC=O MCULE-8114348514 [1,0,0,0,0,0|0,0,1]=2 29 B9R0.45 CCCCCCC=CCO MCULE-8666977236 [1,0,0,0,0,0|0,0,3]=4 30 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [1,0,0,0,0,0|0,0,3]=4 31 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [1,0,0,0,0,0|1,0,2]=4 32 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [1,0,0,0,0,0|1,0,2]=4 33 B11R0.3 CCCCCC/C=C/C=C/C=O MCULE-7651195452 [0,1,0,0,0,0|0,0,0]=1 34 B11R0.3 CCCCCC/C=C/C=C/CO MCULE-8951938021 [0,1,0,0,0,0|0,0,2]=3 35 B11R0.3 CCCCCCC=CC=CC=O MCULE-3891394680 [0,1,0,0,0,0|0,0,0]=1 36 B11R0.3 CCCCCCC=CC=CCO MCULE-5798292331 [0,1,0,0,0,0|0,0,2]=3 37 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [0,1,0,0,0,0|0,0,2]=3 38 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [0,1,0,0,0,0|0,0,2]=3 39 B11R0.4 C(=CC(=O)OCC)CCCCC MCULE-4171275205 [0,1,0,0,0,0|2,0,1]=4 40 B11R0.4 CC=CC(=O)OCCCCCC MCULE-4880491449 [0,1,0,0,0,0|2,0,1]=4 41 B11R0.4 CCCCC/C=C/C(=O)OCC MCULE-5442918020 [0,1,0,0,0,0|2,0,1]=4 42 B11R0.40 C=C(C=O)CCCCCCCC MCULE-1736101056 [0,1,0,0,0,0|0,0,3]=4 43 B11R0.40 CCCCC/C=C/CC(=O)OC MCULE-2579151246 [0,1,0,0,0,0|2,0,1]=4 44 B11R0.40 CCCCCCC=CC(=O)OC MCULE-3102057992 [0,1,0,0,0,0|2,0,1]=4 45 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [0,1,0,0,0,0|0,0,3]=4 46 B11R0.81 CCCCCCC(=O)C=CC=O MCULE-3978841928 [0,1,0,0,0,0|0,0,1]=2 47 B11R0.140 C/C=C/C=C/C(=O)OCCCC MCULE-7596477709 [0,1,0,0,0,0|2,0,0]=3 48 B11R0.140 CC=CC=CC(=O)OCCCC MCULE-6356312398 [0,1,0,0,0,0|2,0,0]=3 49 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [0,1,0,0,0,0|0,0,2]=3 50 B11R0.148 CCCCCC/C=C/CC(=O)O MCULE-1834860815 [0,1,0,0,0,0|0,0,2]=3 51 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [0,1,0,0,0,0|0,0,2]=3 52 B11R0.148 CCCCCCC/C=C/C(=O)O MCULE-3189731619 [0,1,0,0,0,0|0,0,2]=3 53 B11R0.148 CCCCCCC/C=C\C(=O)O MCULE-5508964733 [0,1,0,0,0,0|0,0,2]=3 54 B11R0.148 CCCCCCC=CCC(=O)O MCULE-5816262119 [0,1,0,0,0,0|0,0,2]=3 55 B11R0.148 CCCCCCCC=CC(=O)O MCULE-9648702049 [0,1,0,0,0,0|0,0,2]=3 56 B11R1.4 CCCCC#CC1=CC=CS1 MCULE-5148385371 [0,0,0,1,0,0|0,1,2]=4 57 B11R1.4 CCCCCCC1=CC=CN1 MCULE-8324355758 [0,0,0,1,0,0|1,0,1]=3 58 B11R1.4 CCCCCCC1=CC=CO1 MCULE-6577934191 [0,0,0,1,0,0|0,0,2]=3 59 B11R1.4 CCCCCCC1=CC=CS1 MCULE-5502485047 [0,0,0,1,0,0|0,1,1]=3 60 B11R1.4 CCCCCCC1=CSC=C1 MCULE-3133862913 [0,0,0,1,0,0|2,0,1]=4 61 B11R1.4 CCCCCCC1=NC=CS1 MCULE-6402366328 [0,0,0,1,0,0|1,1,1]=4 62 B11R1.4 CCCCCOC1=NNC=C1 MCULE-1768092599 [0,0,0,1,0,0|3,0,0]=4 63 B11R1.4 CCCCNCC1=CC=CO1 MCULE-3709141682 [0,0,0,1,0,0|1,0,2]=4 64 B11R1.4 CCCCNCC1=CC=CO1 MCULE-4094411907 [0,0,0,1,0,0|1,0,2]=4 65 B11R1.4 CCCCNCC1=CC=CS1 MCULE-3004770636 [0,0,0,1,0,0|1,1,1]=4 66 B11R1.4 CCCCOCC1=CC=CO1 MCULE-6096512915 [0,0,0,1,0,0|1,0,2]=4 67 B11R1.4 CCCC[NH2+]CC1=CC=CS1 MCULE-8760111849 [0,0,0,1,0,0|1,1,1]=4 68 B11R1.4 CCCNCCC1=CC=CS1 MCULE-2459770955 [0,0,0,1,0,0|1,1,1]=4 69 B11R1.4 ClCCCCCC1=CC=CS1 MCULE-4733149040 [0,0,0,1,0,0|1,1,1]=4 70 B11R1.4 NCCCCCC1=CC=CO1 MCULE-4456351833 [0,0,0,1,0,0|1,0,2]=4 71 B11R1.4 NCCCCCC1=CC=CO1 MCULE-8774283184 [0,0,0,1,0,0|1,0,2]=4 72 B11R1.4 OCCCN=CC1=CC=CS1 MCULE-5249589981 [0,0,0,1,0,0|2,1,0]=4 73 B11R1.17 BrCCCC1=C(C=CC=C1)Br MCULE-5229244333 [0,0,0,1,0,0|2,0,1]=4 74 B11R1.17 CC1=C(C=CC=C1)CCCBr MCULE-4931632969 [0,0,0,1,0,0|2,0,1]=4 75 B11R1.17 CC1=C(C=CC=C1)CCCN MCULE-8865811889 [0,0,0,1,0,0|2,0,1]=4 76 B11R1.17 CC1=C(C=CC=C1)CCCO MCULE-1965312124 [0,0,0,1,0,0|2,0,1]=4 77 B11R1.17 CCCCC1=C(C=CC=C1)O MCULE-2002461761 [0,0,0,1,0,0|0,0,2]=3 78 B11R1.17 CCCCC1=CC=CC=C1N MCULE-6346698053 [0,0,0,1,0,0|1,0,1]=3 79 B11R1.17 CCCNC1=C(C=CC=C1)Cl MCULE-9893669094 [0,0,0,1,0,0|2,0,1]=4 80 B11R1.17 CCCNC1=C(C=CC=C1)N MCULE-6350418003 [0,0,0,1,0,0|2,0,1]=4 81 B11R1.17 CCCNC1=CC=CC=C1F MCULE-2906627955 [0,0,0,1,0,0|2,0,1]=4 82 B11R1.17 CCCOC1=C(C=CC=C1)Br MCULE-7758175243 [0,0,0,1,0,0|2,0,1]=4 83 B11R1.17 CCCOC1=C(C=CC=C1)F MCULE-9868068841 [0,0,0,1,0,0|2,0,1]=4 84 B11R1.17 CCCOC1=C(C=CC=C1)N MCULE-1031876867 [0,0,0,1,0,0|2,0,1]=4 85 B11R1.17 CCCOC1=C(C=CC=C1)O MCULE-6553096611 [0,0,0,1,0,0|1,0,2]=4 86 B11R1.17 CCCOC1=CC=CC=C1C MCULE-6241356190 [0,0,0,1,0,0|2,0,1]=4 87 B11R1.17 CCCOC1=CC=CC=C1N MCULE-1571340519 [0,0,0,1,0,0|2,0,1]=4 88 B11R1.17 CCCOC1=CC=CC=C1S MCULE-8502576803 [0,0,0,1,0,0|1,1,1]=4 89 B11R1.17 CCCOC1=CC=CNC1=O MCULE-1775044896 [0,0,0,1,0,0|2,0,1]=4 90 B11R1.17 CCCSC1=C(C=CC=C1)Br MCULE-5618725688 [0,0,0,1,0,0|2,0,1]=4 91 B11R1.17 CCCSC1=C(C=CC=C1)S MCULE-7976606156 [0,0,0,1,0,0|1,1,1]=4 92 B11R1.17 CCCSC1=CC=CC=C1Cl MCULE-3167206112 [0,0,0,1,0,0|2,0,1]=4 93 B11R1.17 CCCSC1=CC=CC=C1N MCULE-1237490683 [0,0,0,1,0,0|2,0,1]=4 94 B11R1.17 CCCSC1=CC=CC=C1N MCULE-5502649108 [0,0,0,1,0,0|2,0,1]=4 95 B11R1.17 CCNCC1=C(C=CC=C1)Br MCULE-5607002495 [0,0,0,1,0,0|2,0,1]=4 96 B11R1.17 CCNCC1=C(C=CC=C1)Br MCULE-7378126298 [0,0,0,1,0,0|2,0,1]=4 97 B11R1.17 CCNCC1=C(C=CC=C1)C MCULE-5924757359 [0,0,0,1,0,0|2,0,1]=4 98 B11R1.17 CCNCC1=C(C=CC=C1)N MCULE-1986571856 [0,0,0,1,0,0|2,0,1]=4 99 B11R1.17 CCNCC1=C(C=CC=C1)N MCULE-3583733567 [0,0,0,1,0,0|2,0,1]=4 100 B11R1.17 CCNCC1=CC=CC=C1C MCULE-8472583636 [0,0,0,1,0,0|2,0,1]=4 101 B11R1.17 CCNCC1=CC=CC=C1Cl MCULE-9274806625 [0,0,0,1,0,0|2,0,1]=4 102 B11R1.17 CCNCC1=CC=CC=C1Cl MCULE-9786593521 [0,0,0,1,0,0|2,0,1]=4 103 B11R1.17 CCNCC1=CC=CC=C1F MCULE-1354599703 [0,0,0,1,0,0|2,0,1]=4 104 B11R1.17 CCNCC1=CC=CC=C1F MCULE-2570139670 [0,0,0,1,0,0|2,0,1]=4 105 B11R1.17 CCNCC1=CC=CC=C1I MCULE-5072042861 [0,0,0,1,0,0|2,0,1]=4 106 B11R1.17 CCNCC1=CC=CC=C1O MCULE-5562910390 [0,0,0,1,0,0|1,0,2]=4 107 B11R1.17 CCOCC1=C(C=CC=C1)N MCULE-8410140912 [0,0,0,1,0,0|2,0,1]=4 108 B11R1.17 CCOCC1=CC=CC=C1Br MCULE-9289026885 [0,0,0,1,0,0|2,0,1]=4 109 B11R1.17 CCSCC1=C(C=CC=C1)Br MCULE-1994219824 [0,0,0,1,0,0|2,0,1]=4 110 B11R1.17 CCSCC1=C(C=CC=C1)Cl MCULE-1580381162 [0,0,0,1,0,0|2,0,1]=4 111 B11R1.17 CCSCC1=C(C=CC=C1)F MCULE-2295974061 [0,0,0,1,0,0|2,0,1]=4 112 B11R1.17 CNCCC1=C(C=CC=C1)Br MCULE-4425854837 [0,0,0,1,0,0|2,0,1]=4 113 B11R1.17 CNCCC1=C(C=CC=C1)Br MCULE-8249015775 [0,0,0,1,0,0|2,0,1]=4 114 B11R1.17 CNCCC1=C(C=CC=C1)C MCULE-2885480487 [0,0,0,1,0,0|2,0,1]=4 115 B11R1.17 CNCCC1=C(C=CC=C1)C MCULE-8476549483 [0,0,0,1,0,0|2,0,1]=4 116 B11R1.17 CNCCC1=C(C=CC=C1)Cl MCULE-2511215633 [0,0,0,1,0,0|2,0,1]=4 117 B11R1.17 CNCCC1=C(C=CC=C1)F MCULE-5848065685 [0,0,0,1,0,0|2,0,1]=4 118 B11R1.17 CNCCC1=C(C=CC=C1)O MCULE-1821097066 [0,0,0,1,0,0|1,0,2]=4 119 B11R1.17 CNCCC1=C(C=CC=C1)O MCULE-3750441942 [0,0,0,1,0,0|1,0,2]=4 120 B11R1.17 CNCCC1=CC=CC=C1F MCULE-3336561334 [0,0,0,1,0,0|2,0,1]=4 121 B11R1.17 COCCC1=C(C=CC=C1)N MCULE-7586978243 [0,0,0,1,0,0|2,0,1]=4 122 B11R1.17 COCCC1=C(C=CC=C1)O MCULE-3925007441 [0,0,0,1,0,0|1,0,2]=4 123 B11R1.17 COCCC1=CC=CC=C1Br MCULE-8979541120 [0,0,0,1,0,0|2,0,1]=4 124 B11R1.17 CSCCC1=C(C=CC=C1)N MCULE-3489164938 [0,0,0,1,0,0|2,0,1]=4 125 B11R1.17 ClC1=C(C=CC=C1)CCCBr MCULE-6307884571 [0,0,0,1,0,0|2,0,1]=4 126 B11R1.17 ClCCCC1=C(C=CC=C1)Br MCULE-9781189680 [0,0,0,1,0,0|2,0,1]=4 127 B11R1.17 ClCCCC1=C(C=CC=C1)Cl MCULE-9844328725 [0,0,0,1,0,0|2,0,1]=4 128 B11R1.17 FC1=C(C=CC=C1)CCCCl MCULE-1966517468 [0,0,0,1,0,0|2,0,1]=4 129 B11R1.17 FC1=C(C=CC=C1)CCCS MCULE-1940427668 [0,0,0,1,0,0|2,0,1]=4 130 B11R1.17 FC1=CC=CC=C1CCCBr MCULE-8148214586 [0,0,0,1,0,0|2,0,1]=4 131 B11R1.17 N#CCCN1C=CC=CC1=O MCULE-1343749101 [0,0,0,1,0,0|2,0,1]=4 132 B11R1.17 NC1=C(C=CC=C1)CCCO MCULE-2842480720 [0,0,0,1,0,0|2,0,1]=4 133 B11R1.17 NC1=CC=CC=C1CCCO MCULE-4348553871 [0,0,0,1,0,0|2,0,1]=4 134 B11R1.17 NCCCC1=C(C=CC=C1)Br MCULE-6924066102 [0,0,0,1,0,0|2,0,1]=4 135 B11R1.17 NCCCC1=C(C=CC=C1)Cl MCULE-3856050568 [0,0,0,1,0,0|2,0,1]=4 136 B11R1.17 NCCCC1=C(C=CC=C1)F MCULE-5025564054 [0,0,0,1,0,0|2,0,1]=4 137 B11R1.17 NCCCC1=C(C=CC=C1)F MCULE-6089884036 [0,0,0,1,0,0|2,0,1]=4 138 B11R1.17 NCCCC1=C(C=CC=C1)O MCULE-2020999342 [0,0,0,1,0,0|1,0,2]=4 139 B11R1.17 NCCCC1=CC=CC=C1Cl MCULE-2004411126 [0,0,0,1,0,0|2,0,1]=4 140 B11R1.17 NCCCC1=CC=CC=C1N MCULE-4877970289 [0,0,0,1,0,0|2,0,1]=4 141 B11R1.17 NCCCN1C=CC=CC1=O MCULE-5180512650 [0,0,0,1,0,0|2,0,0]=3 142 B11R1.17 NCCCN1C=CC=CC1=O MCULE-8683714696 [0,0,0,1,0,0|2,0,0]=3 143 B11R1.17 NCCCN1C=CC=NC1=O MCULE-4165896343 [0,0,0,1,0,0|3,0,0]=4 144 B11R1.17 NCCCN1C=CC=NC1=O MCULE-4408984226 [0,0,0,1,0,0|3,0,0]=4 145 B11R1.17 NCCCN1N=CC=CC1=O MCULE-4554455904 [0,0,0,1,0,0|3,0,0]=4 146 B11R1.17 O=C1C=CC=CN1CCCO MCULE-7747221936 [0,0,0,1,0,0|2,0,0]=3 147 B11R1.17 O=C1C=CN=CN1CCCO MCULE-8333250735 [0,0,0,1,0,0|3,0,0]=4 148 B11R1.17 OCCCC1=C(C=CC=C1)Cl MCULE-8290584103 [0,0,0,1,0,0|2,0,1]=4 149 B11R1.17 OCCCC1=C(C=CC=C1)F MCULE-3772919418 [0,0,0,1,0,0|2,0,1]=4 150 B11R1.17 OCCCC1=CC=CC=C1Br MCULE-8531971919 [0,0,0,1,0,0|2,0,1]=4 151 B11R1.17 OCCCC1=CC=CC=C1O MCULE-5956863386 [0,0,0,1,0,0|1,0,2]=4 152 B11R1.17 SCCCC1=C(C=CC=C1)Br MCULE-3337774537 [0,0,0,1,0,0|2,0,1]=4 153 B11R1.17 SCCCC1=C(C=CC=C1)Cl MCULE-5183206029 [0,0,0,1,0,0|2,0,1]=4 154 B11R1.18 CCCCN1C=CN=C1C=O MCULE-3898096650 [0,0,0,1,0,0|2,0,0]=3 155 B11R1.18 CCCCN1N=CC=C1C=O MCULE-5853098730 [0,0,0,1,0,0|2,0,0]=3 156 B11R1.18 COCCN1C=CC=C1C=O MCULE-9666211934 [0,0,0,1,0,0|2,0,0]=3 157 B11R1.18 COCCN1C=CN=C1C=O MCULE-4945918596 [0,0,0,1,0,0|3,0,0]=4 158 B11R1.18 N#CCCN1C=CC=C1C=O MCULE-6474681845 [0,0,0,1,0,0|2,0,1]=4 159 B11R1.28 BrCCCCC1=CC=CC=C1 MCULE-6514169369 [0,0,0,1,0,0|2,0,0]=3 160 B11R1.28 BrCCCOC1=CC=CC=C1 MCULE-7435025132 [0,0,0,1,0,0|3,0,0]=4 161 B11R1.28 BrCCNCC1=CC=CC=C1 MCULE-8753989512 [0,0,0,1,0,0|3,0,0]=4 162 B11R1.28 BrCCOCC1=CC=CC=C1 MCULE-9049633740 [0,0,0,1,0,0|3,0,0]=4 163 B11R1.28 BrCCSCC1=CC=CC=C1 MCULE-1562145030 [0,0,0,1,0,0|3,0,0]=4 164 B11R1.28 C#CCCCC1=CC=CC=C1 MCULE-1756871381 [0,0,0,1,0,0|1,0,2]=4 165 B11R1.28 C=CCCCC1=CC=CC=C1 MCULE-5260978254 [0,0,0,1,0,0|1,0,2]=4 166 B11R1.28 CCC/C=C/C1=CC=CC=C1 MCULE-8216665644 [0,0,0,1,0,0|1,0,2]=4 167 B11R1.28 CCC/C=N/C1=CC=CC=C1 MCULE-2088651061 [0,0,0,1,0,0|2,0,1]=4 168 B11R1.28 CCCC#CC1=CC=CC=C1 MCULE-8655390926 [0,0,0,1,0,0|1,0,2]=4 169 B11R1.28 CCCC=CC1=CC=CC=C1 MCULE-9104074560 [0,0,0,1,0,0|1,0,2]=4 170 B11R1.28 CCCCCC1=CC=CC=C1 MCULE-8118768843 [0,0,0,1,0,0|1,0,0]=2 171 B11R1.28 CCCCCC1=CC=CC=N1 MCULE-5660438217 [0,0,0,1,0,0|1,0,0]=2 172 B11R1.28 CCCCCC1=CC=CN=C1 MCULE-2009971983 [0,0,0,1,0,0|2,0,0]=3 173 B11R1.28 CCCCCC1=CC=NC=C1 MCULE-3170586483 [0,0,0,1,0,0|2,0,0]=3 174 B11R1.28 CCCCCC1=NC=CN=C1 MCULE-9693233081 [0,0,0,1,0,0|2,0,0]=3 175 B11R1.28 CCCCCN1C=CN=CC1 MCULE-2464653759 [0,0,0,1,0,0|3,0,0]=4 176 B11R1.28 CCCCNC1=CC=CC=C1 MCULE-1727897857 [0,0,0,1,0,0|2,0,0]=3 177 B11R1.28 CCCCNC1=CC=NC=C1 MCULE-9434685840 [0,0,0,1,0,0|3,0,0]=4 178 B11R1.28 CCCCNC1=CN=CC=C1 MCULE-1186282724 [0,0,0,1,0,0|3,0,0]=4 179 B11R1.28 CCCCNC1=NC=CC=C1 MCULE-9523338805 [0,0,0,1,0,0|2,0,0]=3 180 B11R1.28 CCCCOC1=CC=CC=C1 MCULE-6049343059 [0,0,0,1,0,0|2,0,0]=3 181 B11R1.28 CCCCOC1=NC=CC=C1 MCULE-4282859135 [0,0,0,1,0,0|2,0,0]=3 182 B11R1.28 CCCCSC1=CC=CC=C1 MCULE-5757311914 [0,0,0,1,0,0|2,0,0]=3 183 B11R1.28 CCCCSC1=NC=CC=N1 MCULE-8807225939 [0,0,0,1,0,0|3,0,0]=4 184 B11R1.28 CCCN=CC1=CC=CC=C1 MCULE-1025372874 [0,0,0,1,0,0|2,0,1]=4 185 B11R1.28 CCCNCC1=CC=CC=C1 MCULE-4008327563 [0,0,0,1,0,0|2,0,0]=3 186 B11R1.28 CCCNCC1=CC=CC=C1 MCULE-7507545744 [0,0,0,1,0,0|2,0,0]=3 187 B11R1.28 CCCNCC1=CC=CN=C1 MCULE-2338266725 [0,0,0,1,0,0|3,0,0]=4 188 B11R1.28 CCCNCC1=CC=CN=C1 MCULE-5748699303 [0,0,0,1,0,0|3,0,0]=4 189 B11R1.28 CCCNCC1=CC=CN=C1 MCULE-6145161643 [0,0,0,1,0,0|3,0,0]=4 190 B11R1.28 CCCNCC1=CC=NC=C1 MCULE-3160318631 [0,0,0,1,0,0|3,0,0]=4 191 B11R1.28 CCCNCC1=CC=NC=C1 MCULE-3339569249 [0,0,0,1,0,0|3,0,0]=4 192 B11R1.28 CCCNCC1=CC=NC=C1 MCULE-9783219986 [0,0,0,1,0,0|3,0,0]=4 193 B11R1.28 CCCNCC1=NC=CC=C1 MCULE-6209936743 [0,0,0,1,0,0|2,0,0]=3 194 B11R1.28 CCCNCC1=NC=CC=C1 MCULE-6210284745 [0,0,0,1,0,0|2,0,0]=3 195 B11R1.28 CCCNCC1=NC=CC=C1 MCULE-8874255762 [0,0,0,1,0,0|2,0,0]=3 196 B11R1.28 CCCOCC1=CC=CC=C1 MCULE-6293559881 [0,0,0,1,0,0|2,0,0]=3 197 B11R1.28 CCCSCC1=CC=CC=C1 MCULE-9361941923 [0,0,0,1,0,0|2,0,0]=3 198 B11R1.28 CCNCCC1=CC=CC=C1 MCULE-2498555397 [0,0,0,1,0,0|2,0,0]=3 199 B11R1.28 CCNCCC1=CC=CC=C1 MCULE-2545345211 [0,0,0,1,0,0|2,0,0]=3 200 B11R1.28 CCNCCC1=CC=NC=C1 MCULE-7257872717 [0,0,0,1,0,0|3,0,0]=4 201 B11R1.28 CCNCCC1=NC=CC=C1 MCULE-3386110928 [0,0,0,1,0,0|2,0,0]=3 202 B11R1.28 CCNOCC1=CC=CC=C1 MCULE-9608782087 [0,0,0,1,0,0|3,0,0]=4 203 B11R1.28 CCOCCC1=CC=CC=N1 MCULE-5879553680 [0,0,0,1,0,0|2,0,0]=3 204 B11R1.28 CCOCCC1=CC=NC=C1 MCULE-8638612646 [0,0,0,1,0,0|3,0,0]=4 205 B11R1.28 CCONCC1=CC=CC=C1 MCULE-4929250954 [0,0,0,1,0,0|3,0,0]=4 206 B11R1.28 CCSCCC1=CC=NC=C1 MCULE-5550710258 [0,0,0,1,0,0|3,0,0]=4 207 B11R1.28 CCSCCC1=CC=NC=C1 MCULE-9618679453 [0,0,0,1,0,0|3,0,0]=4 208 B11R1.28 CNCCCC1=CC=CC=C1 MCULE-5668199111 [0,0,0,1,0,0|2,0,0]=3 209 B11R1.28 CNCCCC1=CC=CC=C1 MCULE-5780862362 [0,0,0,1,0,0|2,0,0]=3 210 B11R1.28 CNCCCC1=CC=CN=C1 MCULE-9750515872 [0,0,0,1,0,0|3,0,0]=4 211 B11R1.28 CNCCCC1=CC=NC=C1 MCULE-4373884964 [0,0,0,1,0,0|3,0,0]=4 212 B11R1.28 CNCCCC1=NC=CC=C1 MCULE-1969551681 [0,0,0,1,0,0|2,0,0]=3 213 B11R1.28 CNCCNC1=CC=CC=C1 MCULE-6928741425 [0,0,0,1,0,0|3,0,0]=4 214 B11R1.28 CNCCNC1=NC=CC=C1 MCULE-2499749664 [0,0,0,1,0,0|3,0,0]=4 215 B11R1.28 CNCCNC1=NC=CC=C1 MCULE-2812024871 [0,0,0,1,0,0|3,0,0]=4 216 B11R1.28 CNCCOC1=CC=CC=C1 MCULE-3018465413 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.28 CNCCOC1=CC=CC=C1 MCULE-3602224496 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.28 CNCCOC1=CC=CC=C1 MCULE-8264685666 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.28 CNCCSC1=CC=CC=C1 MCULE-1089527702 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.28 CNCCSC1=CC=CC=C1 MCULE-3714814049 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.28 COCCNC1=CC=CC=C1 MCULE-3459202027 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.28 COCCNC1=CC=CC=N1 MCULE-9323974372 [0,0,0,1,0,0|3,0,0]=4 223 B11R1.28 COCCOC1=CC=CC=C1 MCULE-1219067284 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.28 COCCSC1=CC=CC=C1 MCULE-7903581842 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.28 COCCSC1=NC=CC=C1 MCULE-8582876795 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.28 CSCCCC1=CC=CC=C1 MCULE-1796348446 [0,0,0,1,0,0|2,0,0]=3 227 B11R1.28 ClCCCCC1=CC=CC=C1 MCULE-3979825637 [0,0,0,1,0,0|2,0,0]=3 228 B11R1.28 ClCCCCC1=CC=NC=C1 MCULE-3998663350 [0,0,0,1,0,0|3,0,0]=4 229 B11R1.28 ClCCCCC1=CC=NC=C1 MCULE-9092572846 [0,0,0,1,0,0|3,0,0]=4 230 B11R1.28 ClCCCOC1=CC=CC=C1 MCULE-7194026086 [0,0,0,1,0,0|3,0,0]=4 231 B11R1.28 ClCCCSC1=CC=CC=C1 MCULE-9331895651 [0,0,0,1,0,0|3,0,0]=4 232 B11R1.28 ClCCNCC1=CC=CC=C1 MCULE-2387056611 [0,0,0,1,0,0|3,0,0]=4 233 B11R1.28 ClCCNCC1=CC=CC=C1 MCULE-7863438698 [0,0,0,1,0,0|3,0,0]=4 234 B11R1.28 ClCCOCC1=CC=CC=C1 MCULE-6519510987 [0,0,0,1,0,0|3,0,0]=4 235 B11R1.28 ClCCSCC1=CC=CC=C1 MCULE-4725734970 [0,0,0,1,0,0|3,0,0]=4 236 B11R1.28 ICCCCC1=CC=CC=C1 MCULE-2173904278 [0,0,0,1,0,0|2,0,0]=3 237 B11R1.28 ICCOCC1=CC=CC=C1 MCULE-4638345145 [0,0,0,1,0,0|3,0,0]=4 238 B11R1.28 N#CCCCC1=CC=CC=C1 MCULE-4869213410 [0,0,0,1,0,0|2,0,1]=4 239 B11R1.28 N#CCCCC1=NC=CC=C1 MCULE-1932940027 [0,0,0,1,0,0|2,0,1]=4 240 B11R1.28 NCCCCC1=CC=CC=C1 MCULE-3134654670 [0,0,0,1,0,0|2,0,0]=3 241 B11R1.28 NCCCCC1=CC=CC=C1 MCULE-8668959909 [0,0,0,1,0,0|2,0,0]=3 242 B11R1.28 NCCCCC1=CC=CN=C1 MCULE-5475393318 [0,0,0,1,0,0|3,0,0]=4 243 B11R1.28 NCCCCC1=CC=CN=C1 MCULE-8023484395 [0,0,0,1,0,0|3,0,0]=4 244 B11R1.28 NCCCCC1=CC=NC=C1 MCULE-2042065384 [0,0,0,1,0,0|3,0,0]=4 245 B11R1.28 NCCCCC1=CC=NC=C1 MCULE-7917115467 [0,0,0,1,0,0|3,0,0]=4 246 B11R1.28 NCCCCC1=NC=CC=C1 MCULE-2767397054 [0,0,0,1,0,0|2,0,0]=3 247 B11R1.28 NCCCNC1=CC=CC=C1 MCULE-6169463539 [0,0,0,1,0,0|3,0,0]=4 248 B11R1.28 NCCCNC1=NC=CC=C1 MCULE-7777467602 [0,0,0,1,0,0|3,0,0]=4 249 B11R1.28 NCCCOC1=CC=CC=C1 MCULE-3329202690 [0,0,0,1,0,0|3,0,0]=4 250 B11R1.28 NCCCOC1=CC=CC=C1 MCULE-8437626270 [0,0,0,1,0,0|3,0,0]=4 251 B11R1.28 NCCCSC1=CC=CC=C1 MCULE-4112972029 [0,0,0,1,0,0|3,0,0]=4 252 B11R1.28 NCCCSC1=CC=CC=C1 MCULE-5709270939 [0,0,0,1,0,0|3,0,0]=4 253 B11R1.28 NCCCSC1=NC=CC=C1 MCULE-3949139466 [0,0,0,1,0,0|3,0,0]=4 254 B11R1.28 NCCCSC1=NC=CC=C1 MCULE-4079260696 [0,0,0,1,0,0|3,0,0]=4 255 B11R1.28 NCCNCC1=CC=CC=C1 MCULE-7581517861 [0,0,0,1,0,0|3,0,0]=4 256 B11R1.28 NCCNCC1=NC=CC=C1 MCULE-5527987119 [0,0,0,1,0,0|3,0,0]=4 257 B11R1.28 NCCOCC1=CC=CC=C1 MCULE-2784798338 [0,0,0,1,0,0|3,0,0]=4 258 B11R1.28 NCCOCC1=CC=CC=C1 MCULE-8429409984 [0,0,0,1,0,0|3,0,0]=4 259 B11R1.28 NCCOCC1=CC=CC=C1 MCULE-9046589220 [0,0,0,1,0,0|3,0,0]=4 260 B11R1.28 NCCSCC1=CC=CC=C1 MCULE-2152874100 [0,0,0,1,0,0|3,0,0]=4 261 B11R1.28 NCCSCC1=CC=CC=C1 MCULE-5009462293 [0,0,0,1,0,0|3,0,0]=4 262 B11R1.28 NNCCCC1=CC=CC=C1 MCULE-5767008376 [0,0,0,1,0,0|3,0,0]=4 263 B11R1.28 NNCCCC1=CC=CC=C1 MCULE-9018877253 [0,0,0,1,0,0|3,0,0]=4 264 B11R1.28 NOCCCC1=CC=CC=C1 MCULE-2757934386 [0,0,0,1,0,0|3,0,0]=4 265 B11R1.28 NOCCCC1=CC=CC=C1 MCULE-8331883390 [0,0,0,1,0,0|3,0,0]=4 266 B11R1.28 O=CCCCC1=CC=CC=C1 MCULE-3576210930 [0,0,0,1,0,0|2,0,1]=4 267 B11R1.28 OCCCCC1=CC=CC=C1 MCULE-2245500822 [0,0,0,1,0,0|2,0,0]=3 268 B11R1.28 OCCCCC1=CC=CN=C1 MCULE-2205588715 [0,0,0,1,0,0|3,0,0]=4 269 B11R1.28 OCCCCC1=CC=NC=C1 MCULE-6084447050 [0,0,0,1,0,0|3,0,0]=4 270 B11R1.28 OCCCCC1=CC=NC=C1 MCULE-7907949494 [0,0,0,1,0,0|3,0,0]=4 271 B11R1.28 OCCCCC1=NC=CC=C1 MCULE-9593580777 [0,0,0,1,0,0|2,0,0]=3 272 B11R1.28 OCCCCC1=NC=CN=C1 MCULE-2672180218 [0,0,0,1,0,0|3,0,0]=4 273 B11R1.28 OCCCNC1=CC=CC=C1 MCULE-7237361819 [0,0,0,1,0,0|3,0,0]=4 274 B11R1.28 OCCCNC1=NC=CC=C1 MCULE-1261421452 [0,0,0,1,0,0|3,0,0]=4 275 B11R1.28 OCCCOC1=CC=CC=C1 MCULE-3714545952 [0,0,0,1,0,0|3,0,0]=4 276 B11R1.28 OCCCSC1=CC=CC=C1 MCULE-6438909241 [0,0,0,1,0,0|3,0,0]=4 277 B11R1.28 OCCNCC1=CC=CC=C1 MCULE-3367853062 [0,0,0,1,0,0|3,0,0]=4 278 B11R1.28 OCCNCC1=CC=CC=C1 MCULE-8769899984 [0,0,0,1,0,0|3,0,0]=4 279 B11R1.28 OCCNCC1=NC=CC=C1 MCULE-2043225437 [0,0,0,1,0,0|3,0,0]=4 280 B11R1.28 OCCNCC1=NC=CC=C1 MCULE-9155171744 [0,0,0,1,0,0|3,0,0]=4 281 B11R1.28 OCCOCC1=CC=CC=C1 MCULE-4710032321 [0,0,0,1,0,0|3,0,0]=4 282 B11R1.28 OCCOCC1=CC=CC=C1 MCULE-5006902625 [0,0,0,1,0,0|3,0,0]=4 283 B11R1.28 OCCSCC1=CC=CC=C1 MCULE-3277023665 [0,0,0,1,0,0|3,0,0]=4 284 B11R1.28 SCCCCC1=CC=CC=C1 MCULE-2213321874 [0,0,0,1,0,0|2,0,0]=3 285 B11R1.41 CCNC1=C(C=CC=C1)C=O MCULE-8648734006 [0,0,0,1,0,0|1,0,2]=4 286 B11R1.41 CCOC1=C(C=CC=N1)C=O MCULE-5269915909 [0,0,0,1,0,0|2,0,1]=4 287 B11R1.41 CCOC1=CC=CC=C1C=O MCULE-2364462479 [0,0,0,1,0,0|1,0,2]=4 288 B11R1.41 CCSC1=CC=CC=C1C=O MCULE-4191120123 [0,0,0,1,0,0|1,0,2]=4 289 B11R1.41 COCC1=CC=CC=C1C=O MCULE-3692457492 [0,0,0,1,0,0|1,0,2]=4 290 B11R1.41 O=CC1=CC=CC=C1CCBr MCULE-5684229179 [0,0,0,1,0,0|1,0,2]=4 291 B11R1.180 CCCCCC1=CCCC1=O MCULE-2643922279 [0,0,0,1,0,0|0,0,2]=3 292 B11R1.180 CCCCCN1N=CC=C1N MCULE-7208363120 [0,0,0,1,0,0|3,0,0]=4 293 B11R1.180 CCCNCC1=C(C=CS1)C MCULE-2421054199 [0,0,0,1,0,0|3,0,0]=4 294 B11R1.180 CCCNCC1=C(C=CS1)C MCULE-4831779924 [0,0,0,1,0,0|3,0,0]=4 295 B11R1.180 CCCNCC1=CC=CN1C MCULE-6536083210 [0,0,0,1,0,0|3,0,0]=4 296 B11R1.180 CCCNCC1=CC=CN1C MCULE-7069156672 [0,0,0,1,0,0|3,0,0]=4 297 B8R0.4 C=CCCCCCCC MCULE-8103203416 [2,0,0,0,0,0|0,0,2]=4 298 B8R0.4 CC=CC=CC=CC=O MCULE-4270643488 [2,0,0,0,0,0|0,0,2]=4 299 B8R0.4 CC=CCCCCCC MCULE-2766900913 [2,0,0,0,0,0|0,0,2]=4 300 B8R0.4 CCC/C=C/C=C/C=O MCULE-8835013975 [2,0,0,0,0,0|0,0,0]=2 301 B8R0.4 CCC/C=C/C=C/CO MCULE-9104000035 [2,0,0,0,0,0|0,0,2]=4 302 B8R0.4 CCCC=CC=CC=O MCULE-2921829928 [2,0,0,0,0,0|0,0,0]=2 303 B8R0.4 CCCC=CC=CCO MCULE-7221329169 [2,0,0,0,0,0|0,0,2]=4 304 B8R0.4 CCCCC/C=C/C=O MCULE-9410244042 [2,0,0,0,0,0|0,0,0]=2 305 B8R0.4 CCCCC/C=C/CO MCULE-2538979274 [2,0,0,0,0,0|0,0,2]=4 306 B8R0.4 CCCCCC#CC=O MCULE-6367130572 [2,0,0,0,0,0|0,0,2]=4 307 B8R0.4 CCCCCC=CC=O MCULE-7640230490 [2,0,0,0,0,0|0,0,0]=2 308 B8R0.4 CCCCCC=CCO MCULE-7026544339 [2,0,0,0,0,0|0,0,2]=4 309 B8R0.4 CCCCCCC=CI MCULE-3614174427 [2,0,0,0,0,0|1,0,1]=4 310 B8R0.4 CCCCCCCC=O MCULE-7111365457 [2,0,0,0,0,0|0,0,2]=4 311 B8R0.4 CCCCCCNC=O MCULE-3719637754 [2,0,0,0,0,0|1,0,1]=4 312 B8R0.4 CCCCCCOC=O MCULE-1329787181 [2,0,0,0,0,0|1,0,1]=4 313 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [1,1,0,0,0,0|0,0,1]=3 314 B10R0.4 CCCC/C=C/COC(=O)C MCULE-5121036018 [1,1,0,0,0,0|1,0,1]=4 315 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [1,1,0,0,0,0|0,0,1]=3 316 B10R0.4 CCCCC=CCOC(=O)C MCULE-9678532361 [1,1,0,0,0,0|1,0,1]=4 317 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [1,1,0,0,0,0|0,0,1]=3 318 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [1,1,0,0,0,0|0,0,1]=3 319 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [1,1,0,0,0,0|0,0,1]=3 320 B10R0.74 C=CC(=O)OCCCCCC MCULE-5221212930 [1,1,0,0,0,0|1,0,1]=4 321 B10R0.74 CCCCC/C=C/C(=O)OC MCULE-1812424019 [1,1,0,0,0,0|1,0,1]=4 322 B10R0.74 CCCCCC=CC(=O)OC MCULE-3787684558 [1,1,0,0,0,0|1,0,1]=4 323 B10R0.91 C#CCCCC(=O)C=CC=O MCULE-9847225670 [1,1,0,0,0,0|0,0,2]=4 324 B10R0.91 C=CCOC(=O)CCCCC MCULE-4870253803 [1,1,0,0,0,0|1,0,1]=4 325 B10R0.91 CCCCCC(=O)C=CC=O MCULE-7288937112 [1,1,0,0,0,0|0,0,0]=2 326 B10R0.91 CCCCCC(O)/C=C/C=O MCULE-7787544395 [1,1,0,0,0,0|0,0,1]=3 327 B10R0.91 CCCCCC(O)C=CC=O MCULE-4013578316 [1,1,0,0,0,0|0,0,1]=3 328 B12R0.5 C/C=C/C=C/CCCCCCCO MCULE-8128170987 [0,2,0,0,0,0|1,0,1]=4 329 B12R0.5 CC=CC=CCCCCCCCO MCULE-5968711412 [0,2,0,0,0,0|1,0,1]=4 330 B12R0.5 CCCCCCC/C=C/C=C/C=O MCULE-2842287177 [0,2,0,0,0,0|0,0,0]=2 331 B12R0.5 CCCCCCC/C=C/C=C/CO MCULE-9041067013 [0,2,0,0,0,0|0,0,2]=4 332 B12R0.5 CCCCCCCC=CC=CC=O MCULE-2297529084 [0,2,0,0,0,0|0,0,0]=2 333 B12R0.5 CCCCCCCC=CC=CCO MCULE-1058062663 [0,2,0,0,0,0|0,0,2]=4 334 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [0,2,0,0,0,0|0,0,2]=4 335 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [0,2,0,0,0,0|0,0,2]=4 336 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [0,2,0,0,0,0|0,0,2]=4 337 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [0,2,0,0,0,0|0,0,2]=4 338 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [0,2,0,0,0,0|0,0,2]=4 339 B12R0.234 O=C(O)/C=C/CCCCCCCO MCULE-7936793574 [0,2,0,0,0,0|0,0,2]=4 340 B12R0.234 O=C(O)C=CCCCCCCCO MCULE-6067845776 [0,2,0,0,0,0|0,0,2]=4 341 B12R0.248 CCCC=CC=CC=CC(=O)OC MCULE-8330581603 [0,2,0,0,0,0|0,0,2]=4 342 B12R0.255 COCCCNC(=O)C=CC(=O)O MCULE-8521683786 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.4 CCCC1=C(C=CC=C1)Br MCULE-7843945639 [1,0,0,1,0,0|1,0,1]=4 344 B10R1.4 CCCC1=C(C=CC=C1)I MCULE-1601139165 [1,0,0,1,0,0|1,0,1]=4 345 B10R1.4 CCCC1=C(C=CC=C1)N MCULE-7027317337 [1,0,0,1,0,0|1,0,1]=4 346 B10R1.4 CCCC1=CC=CC=C1C MCULE-4184463329 [1,0,0,1,0,0|1,0,1]=4 347 B10R1.4 CCCC1=CC=CC=C1O MCULE-6123909187 [1,0,0,1,0,0|0,0,2]=4 348 B10R1.4 CCCN1C=CC=CC1=O MCULE-7434351862 [1,0,0,1,0,0|1,0,0]=3 349 B10R1.4 NCCN1C=CC=CC1=O MCULE-5031341293 [1,0,0,1,0,0|2,0,0]=4 350 B10R1.4 NCCN1C=CC=CC1=O MCULE-5650927848 [1,0,0,1,0,0|2,0,0]=4 351 B10R1.4 O=C1C=CC=CN1CCBr MCULE-1999473948 [1,0,0,1,0,0|2,0,0]=4 352 B10R1.4 O=C1C=CC=CN1CCBr MCULE-2714360042 [1,0,0,1,0,0|2,0,0]=4 353 B10R1.4 O=C1C=CC=CN1CCCl MCULE-7912305574 [1,0,0,1,0,0|2,0,0]=4 354 B10R1.4 O=C1C=CC=CN1CCCl MCULE-8395814862 [1,0,0,1,0,0|2,0,0]=4 355 B10R1.4 O=C1C=CC=CN1CCO MCULE-8010084485 [1,0,0,1,0,0|2,0,0]=4 356 B10R1.5 CCCN1C=CC=C1C=O MCULE-9144781738 [1,0,0,1,0,0|1,0,0]=3 357 B10R1.5 CCCN1C=CN=C1C=O MCULE-3380456541 [1,0,0,1,0,0|2,0,0]=4 358 B10R1.5 CCCN1C=NC=C1C=O MCULE-5550555612 [1,0,0,1,0,0|2,0,0]=4 359 B10R1.5 CCCN1N=CC=C1C=O MCULE-3159146870 [1,0,0,1,0,0|2,0,0]=4 360 B10R1.17 BrCCCC1=CC=CC=C1 MCULE-2999027073 [1,0,0,1,0,0|1,0,1]=4 361 B10R1.17 BrCCCC1=NC=CC=C1 MCULE-6806860398 [1,0,0,1,0,0|2,0,0]=4 362 B10R1.17 CCCCC1=CC=CC=C1 MCULE-5613471292 [1,0,0,1,0,0|0,0,1]=3 363 B10R1.17 CCCCC1=CC=CC=N1 MCULE-5412139648 [1,0,0,1,0,0|1,0,0]=3 364 B10R1.17 CCCCC1=CC=CN=C1 MCULE-7670235006 [1,0,0,1,0,0|1,0,1]=4 365 B10R1.17 CCCCC1=CC=NC=C1 MCULE-8991608186 [1,0,0,1,0,0|1,0,1]=4 366 B10R1.17 CCCCC1=NC=CC=C1 MCULE-3780595820 [1,0,0,1,0,0|1,0,0]=3 367 B10R1.17 CCCCC1=NN=CC=C1 MCULE-1880368687 [1,0,0,1,0,0|2,0,0]=4 368 B10R1.17 CCCC[N+]1=CC=CC=C1 MCULE-3031413966 [1,0,0,1,0,0|1,0,0]=3 369 B10R1.17 CCCC[N+]1=CC=CC=C1 MCULE-4736656553 [1,0,0,1,0,0|1,0,0]=3 370 B10R1.17 CCCC[N+]1=CC=CC=C1 MCULE-7927537003 [1,0,0,1,0,0|1,0,0]=3 371 B10R1.17 CCCC[N+]1=CC=CC=C1 MCULE-8997557793 [1,0,0,1,0,0|1,0,0]=3 372 B10R1.17 CCCC[N+]1=CC=CC=C1 MCULE-9141651188 [1,0,0,1,0,0|1,0,0]=3 373 B10R1.17 CCCC[N+]1=CC=CC=C1 MCULE-9727652926 [1,0,0,1,0,0|1,0,0]=3 374 B10R1.17 CCCNC1=CC=CC=C1 MCULE-1452862657 [1,0,0,1,0,0|1,0,1]=4 375 B10R1.17 CCCOC1=CC=CC=C1 MCULE-2177440483 [1,0,0,1,0,0|1,0,1]=4 376 B10R1.17 CCCOC1=NC=CC=C1 MCULE-6135946272 [1,0,0,1,0,0|2,0,0]=4 377 B10R1.17 CCCSC1=CC=CC=C1 MCULE-5609357947 [1,0,0,1,0,0|1,0,1]=4 378 B10R1.17 CCCSC1=NC=CC=C1 MCULE-9100125041 [1,0,0,1,0,0|2,0,0]=4 379 B10R1.17 CCNCC1=CC=CC=C1 MCULE-4796466612 [1,0,0,1,0,0|1,0,1]=4 380 B10R1.17 CCNCC1=NC=CC=C1 MCULE-1196248095 [1,0,0,1,0,0|2,0,0]=4 381 B10R1.17 CCNCC1=NC=CC=C1 MCULE-7695293340 [1,0,0,1,0,0|2,0,0]=4 382 B10R1.17 CCOCC1=CC=CC=C1 MCULE-6632710098 [1,0,0,1,0,0|1,0,1]=4 383 B10R1.17 CCSCC1=CC=CC=C1 MCULE-1238518737 [1,0,0,1,0,0|1,0,1]=4 384 B10R1.17 CCSCC1=NC=CC=C1 MCULE-2786972399 [1,0,0,1,0,0|2,0,0]=4 385 B10R1.17 CNCCC1=CC=CC=C1 MCULE-6036180757 [1,0,0,1,0,0|1,0,1]=4 386 B10R1.17 CNCCC1=CC=CC=N1 MCULE-3511525116 [1,0,0,1,0,0|2,0,0]=4 387 B10R1.17 CNCCC1=CC=CC=N1 MCULE-5013046031 [1,0,0,1,0,0|2,0,0]=4 388 B10R1.17 CNCCC1=NC=CC=C1 MCULE-2088823050 [1,0,0,1,0,0|2,0,0]=4 389 B10R1.17 CNCCC1=NC=CC=C1 MCULE-3539516594 [1,0,0,1,0,0|2,0,0]=4 390 B10R1.17 COCCC1=CC=CC=C1 MCULE-6136429953 [1,0,0,1,0,0|1,0,1]=4 391 B10R1.17 COCCC1=NC=CC=C1 MCULE-1489007821 [1,0,0,1,0,0|2,0,0]=4 392 B10R1.17 ClCCCC1=CC=CC=C1 MCULE-8754274548 [1,0,0,1,0,0|1,0,1]=4 393 B10R1.17 ICCCC1=CC=CC=C1 MCULE-8327261433 [1,0,0,1,0,0|1,0,1]=4 394 B10R1.17 NCCCC1=CC=CC=C1 MCULE-1006208888 [1,0,0,1,0,0|1,0,1]=4 395 B10R1.17 NCCCC1=CC=CC=N1 MCULE-4356325701 [1,0,0,1,0,0|2,0,0]=4 396 B10R1.17 NCCCC1=NC=CC=C1 MCULE-1452720853 [1,0,0,1,0,0|2,0,0]=4 397 B10R1.17 O=CC=CC1CCCCC1 MCULE-6888009707 [1,0,0,1,0,0|0,0,1]=3 398 B10R1.17 OCCCC1=CC=CC=C1 MCULE-7537660546 [1,0,0,1,0,0|1,0,1]=4 399 B10R1.17 OCCCC1=NC=CC=C1 MCULE-5814318049 [1,0,0,1,0,0|2,0,0]=4 400 B10R1.17 OCCCC1=NC=CC=C1 MCULE-8674015066 [1,0,0,1,0,0|2,0,0]=4 401 B10R1.17 SCCCC1=CC=CC=C1 MCULE-2446156682 [1,0,0,1,0,0|1,0,1]=4 402 B10R1.20 CCC1=CC=CC=C1C=O MCULE-7976846390 [1,0,0,1,0,0|0,0,2]=4 403 B10R1.21 CCCCCC1=CC=CO1 MCULE-7495475438 [1,0,0,1,0,0|0,0,1]=3 404 B10R1.21 CCCCCC1=CC=CS1 MCULE-5834588939 [1,0,0,1,0,0|0,1,0]=3 405 B10R1.21 CCCCCC1=CSC=C1 MCULE-3765336287 [1,0,0,1,0,0|1,0,0]=3 406 B10R1.21 CCCCCN1C=CN=C1 MCULE-3700918778 [1,0,0,1,0,0|2,0,0]=4 407 B10R1.21 CCCNCC1=CC=CO1 MCULE-6122894463 [1,0,0,1,0,0|1,0,1]=4 408 B10R1.21 CCCNCC1=CC=CO1 MCULE-8770938830 [1,0,0,1,0,0|1,0,1]=4 409 B10R1.21 CCCNCC1=CC=CS1 MCULE-3096058382 [1,0,0,1,0,0|1,1,0]=4 410 B10R1.21 CCCNCC1=CC=CS1 MCULE-3100460823 [1,0,0,1,0,0|1,1,0]=4 411 B10R1.21 CCCNCC1=CSC=C1 MCULE-5417878663 [1,0,0,1,0,0|2,0,0]=4 412 B10R1.21 CCCNCC1=CSC=C1 MCULE-6881060157 [1,0,0,1,0,0|2,0,0]=4 413 B10R1.21 CCNCCC1=CC=CS1 MCULE-4670880624 [1,0,0,1,0,0|1,1,0]=4 414 B10R1.21 CNCCCC1=CC=CO1 MCULE-7583228791 [1,0,0,1,0,0|1,0,1]=4 415 B10R1.21 CNCCCC1=CC=CS1 MCULE-3052431189 [1,0,0,1,0,0|1,1,0]=4 416 B10R1.29 CCCCC1=C(SC=C1)Br MCULE-2746446157 [1,0,0,1,0,0|2,0,0]=4 417 B10R1.29 CCCCC1=CCCC1=O MCULE-3298793962 [1,0,0,1,0,0|0,0,2]=4 418 B10R1.161 O=CC1=CCCCCCC1 MCULE-3035020921 [1,0,0,1,0,0|0,0,1]=3 419 B10R1.161 O=CC1=CCCCCCC1 MCULE-5359478815 [1,0,0,1,0,0|0,0,1]=3 420 B12R1.8 BrCCCCCC1=CC=CC=C1 MCULE-2935273353 [0,1,0,1,0,0|1,0,0]=3 421 B12R1.8 BrCCCCOC1=CC=CC=C1 MCULE-5875035811 [0,1,0,1,0,0|2,0,0]=4 422 B12R1.8 BrCCCNCC1=CC=CC=C1 MCULE-8593877267 [0,1,0,1,0,0|2,0,0]=4 423 B12R1.8 BrCCCOCC1=CC=CC=C1 MCULE-2857170337 [0,1,0,1,0,0|2,0,0]=4 424 B12R1.8 BrCCCSCC1=CC=CC=C1 MCULE-2608942714 [0,1,0,1,0,0|2,0,0]=4 425 B12R1.8 C#CCCCCC1=CC=CC=C1 MCULE-8434689989 [0,1,0,1,0,0|1,0,1]=4 426 B12R1.8 C=CCCCCC1=CC=CC=C1 MCULE-5742507683 [0,1,0,1,0,0|1,0,1]=4 427 B12R1.8 CC#CCCCC1=CC=CC=C1 MCULE-9561802828 [0,1,0,1,0,0|1,0,1]=4 428 B12R1.8 CCCCC#CC1=CC=CC=C1 MCULE-2052191994 [0,1,0,1,0,0|1,0,1]=4 429 B12R1.8 CCCCC=CC1=CC=CC=C1 MCULE-3225443389 [0,1,0,1,0,0|1,0,1]=4 430 B12R1.8 CCCCCCC1=CC=CC=C1 MCULE-4666294977 [0,1,0,1,0,0|1,0,0]=3 431 B12R1.8 CCCCCCC1=CC=CC=N1 MCULE-3873309255 [0,1,0,1,0,0|1,0,0]=3 432 B12R1.8 CCCCCCC1=CC=NC=C1 MCULE-2658741032 [0,1,0,1,0,0|1,0,1]=4 433 B12R1.8 CCCCCCC1=CN=CC=C1 MCULE-3716892918 [0,1,0,1,0,0|1,0,1]=4 434 B12R1.8 CCCCCC[N+]1=CC=CC=C1 MCULE-2542365118 [0,1,0,1,0,0|1,0,1]=4 435 B12R1.8 CCCCCC[N+]1=CC=CC=C1 MCULE-3902467298 [0,1,0,1,0,0|1,0,1]=4 436 B12R1.8 CCCCCC[N+]1=CC=CC=C1 MCULE-6904965621 [0,1,0,1,0,0|1,0,1]=4 437 B12R1.8 CCCCCC[N+]1=CC=CC=C1 MCULE-7578847193 [0,1,0,1,0,0|1,0,1]=4 438 B12R1.8 CCCCCC[N+]1=CC=CC=C1 MCULE-7604168371 [0,1,0,1,0,0|1,0,1]=4 439 B12R1.8 CCCCCC[N+]1=CC=CC=C1 MCULE-8977020346 [0,1,0,1,0,0|1,0,1]=4 440 B12R1.8 CCCCCNC1=CC=CC=C1 MCULE-8785948151 [0,1,0,1,0,0|1,0,0]=3 441 B12R1.8 CCCCCOC1=CC=CC=C1 MCULE-6384720129 [0,1,0,1,0,0|1,0,0]=3 442 B12R1.8 CCCCCSC1=CC=CC=C1 MCULE-5536739436 [0,1,0,1,0,0|1,0,0]=3 443 B12R1.8 CCCCN=CC1=CC=CC=C1 MCULE-7945882642 [0,1,0,1,0,0|1,0,1]=4 444 B12R1.8 CCCCN=CC1=CC=CC=N1 MCULE-8501307392 [0,1,0,1,0,0|1,0,1]=4 445 B12R1.8 CCCCNCC1=CC=CC=C1 MCULE-7692097420 [0,1,0,1,0,0|1,0,0]=3 446 B12R1.8 CCCCNCC1=CC=CN=C1 MCULE-7343092856 [0,1,0,1,0,0|2,0,0]=4 447 B12R1.8 CCCCNCC1=CC=CN=C1 MCULE-8120976254 [0,1,0,1,0,0|2,0,0]=4 448 B12R1.8 CCCCNCC1=CC=CN=C1 MCULE-8209065860 [0,1,0,1,0,0|2,0,0]=4 449 B12R1.8 CCCCNCC1=CC=NC=C1 MCULE-2300979170 [0,1,0,1,0,0|2,0,0]=4 450 B12R1.8 CCCCNCC1=CC=NC=C1 MCULE-4427306390 [0,1,0,1,0,0|2,0,0]=4 451 B12R1.8 CCCCNCC1=CC=NC=C1 MCULE-4468981841 [0,1,0,1,0,0|2,0,0]=4 452 B12R1.8 CCCCNCC1=NC=CC=C1 MCULE-2434608878 [0,1,0,1,0,0|1,0,0]=3 453 B12R1.8 CCCCNCC1=NC=CC=C1 MCULE-3687810364 [0,1,0,1,0,0|1,0,0]=3 454 B12R1.8 CCCCNCC1=NC=CC=C1 MCULE-7594119012 [0,1,0,1,0,0|1,0,0]=3 455 B12R1.8 CCCCOCC1=CC=CC=C1 MCULE-5876690213 [0,1,0,1,0,0|1,0,0]=3 456 B12R1.8 CCCNCCC1=CC=CC=C1 MCULE-3633023803 [0,1,0,1,0,0|1,0,0]=3 457 B12R1.8 CCCNCCC1=CC=CC=C1 MCULE-7870883456 [0,1,0,1,0,0|1,0,0]=3 458 B12R1.8 CCCNCCC1=NC=CC=C1 MCULE-3678488808 [0,1,0,1,0,0|1,0,0]=3 459 B12R1.8 CCCNOCC1=CC=CC=C1 MCULE-1464878260 [0,1,0,1,0,0|2,0,0]=4 460 B12R1.8 CCCOCCC1=NC=CC=C1 MCULE-6125495816 [0,1,0,1,0,0|1,0,0]=3 461 B12R1.8 CCCSCCC1=CC=NC=C1 MCULE-5171349122 [0,1,0,1,0,0|2,0,0]=4 462 B12R1.8 CCCSCCC1=CC=NC=C1 MCULE-8991152756 [0,1,0,1,0,0|2,0,0]=4 463 B12R1.8 CCNCCCC1=CC=CC=C1 MCULE-1109255870 [0,1,0,1,0,0|1,0,0]=3 464 B12R1.8 CCNCCCC1=CC=CC=C1 MCULE-8743949752 [0,1,0,1,0,0|1,0,0]=3 465 B12R1.8 CCNCCOC1=CC=CC=C1 MCULE-8117384258 [0,1,0,1,0,0|2,0,0]=4 466 B12R1.8 CCNCCOC1=CC=CC=C1 MCULE-8534496586 [0,1,0,1,0,0|2,0,0]=4 467 B12R1.8 CCNCCSC1=CC=CC=C1 MCULE-5614478965 [0,1,0,1,0,0|2,0,0]=4 468 B12R1.8 CCOCCSC1=NC=CC=C1 MCULE-1606334533 [0,1,0,1,0,0|2,0,0]=4 469 B12R1.8 CCSCCCC1=CC=CC=C1 MCULE-5171251431 [0,1,0,1,0,0|1,0,0]=3 470 B12R1.8 CNCCCCC1=CC=CC=C1 MCULE-1885836061 [0,1,0,1,0,0|1,0,0]=3 471 B12R1.8 CNCCCCC1=CC=CC=C1 MCULE-8773540616 [0,1,0,1,0,0|1,0,0]=3 472 B12R1.8 CNCCCNC1=CC=CC=C1 MCULE-7246555750 [0,1,0,1,0,0|2,0,0]=4 473 B12R1.8 CNCCCOC1=CC=CC=C1 MCULE-4250091227 [0,1,0,1,0,0|2,0,0]=4 474 B12R1.8 CNCCCOC1=CC=CC=C1 MCULE-8525808795 [0,1,0,1,0,0|2,0,0]=4 475 B12R1.8 CNCCCSC1=CC=CC=C1 MCULE-3733422746 [0,1,0,1,0,0|2,0,0]=4 476 B12R1.8 CNCCCSC1=CC=CC=C1 MCULE-7540218107 [0,1,0,1,0,0|2,0,0]=4 477 B12R1.8 CNCCNCC1=CC=CC=C1 MCULE-2485806250 [0,1,0,1,0,0|2,0,0]=4 478 B12R1.8 CNCCOCC1=CC=CC=C1 MCULE-4049527465 [0,1,0,1,0,0|2,0,0]=4 479 B12R1.8 CNCCOCC1=CC=CC=C1 MCULE-7862458517 [0,1,0,1,0,0|2,0,0]=4 480 B12R1.8 COCCNCC1=CC=CC=C1 MCULE-1852623533 [0,1,0,1,0,0|2,0,0]=4 481 B12R1.8 COCCNCC1=CC=CC=C1 MCULE-4595041757 [0,1,0,1,0,0|2,0,0]=4 482 B12R1.8 COCCNCC1=NC=CC=C1 MCULE-1796052805 [0,1,0,1,0,0|2,0,0]=4 483 B12R1.8 COCCNCC1=NC=CC=C1 MCULE-3599497004 [0,1,0,1,0,0|2,0,0]=4 484 B12R1.8 COCCOCC1=CC=CC=C1 MCULE-6685382062 [0,1,0,1,0,0|2,0,0]=4 485 B12R1.8 CONCCCC1=CC=CC=C1 MCULE-1264791462 [0,1,0,1,0,0|2,0,0]=4 486 B12R1.8 ClCCCCCC1=CC=CC=C1 MCULE-4049620045 [0,1,0,1,0,0|1,0,0]=3 487 B12R1.8 ClCCCCOC1=CC=CC=C1 MCULE-9444819844 [0,1,0,1,0,0|2,0,0]=4 488 B12R1.8 ClCCCNCC1=CC=CC=C1 MCULE-8040955409 [0,1,0,1,0,0|2,0,0]=4 489 B12R1.8 ClCCCNCC1=CC=CC=C1 MCULE-9569468273 [0,1,0,1,0,0|2,0,0]=4 490 B12R1.8 ClCCCOCC1=CC=CC=C1 MCULE-6444040724 [0,1,0,1,0,0|2,0,0]=4 491 B12R1.8 ICCCCCC1=CC=CC=C1 MCULE-4126724292 [0,1,0,1,0,0|1,0,0]=3 492 B12R1.8 NCCCCCC1=CC=CC=C1 MCULE-8207103794 [0,1,0,1,0,0|1,0,0]=3 493 B12R1.8 NCCCCCC1=CC=CN=C1 MCULE-5475650280 [0,1,0,1,0,0|2,0,0]=4 494 B12R1.8 NCCCCCC1=CC=CN=C1 MCULE-5671307934 [0,1,0,1,0,0|2,0,0]=4 495 B12R1.8 NCCCCNC1=CC=CC=C1 MCULE-3437713573 [0,1,0,1,0,0|2,0,0]=4 496 B12R1.8 NCCCCNC1=NC=CC=C1 MCULE-3291375496 [0,1,0,1,0,0|2,0,0]=4 497 B12R1.8 NCCCCOC1=CC=CC=C1 MCULE-1541250791 [0,1,0,1,0,0|2,0,0]=4 498 B12R1.8 NCCCCOC1=CC=CC=C1 MCULE-8628062026 [0,1,0,1,0,0|2,0,0]=4 499 B12R1.8 NCCCNCC1=CC=CC=C1 MCULE-1902775325 [0,1,0,1,0,0|2,0,0]=4 500 B12R1.8 NCCCNCC1=CC=CC=C1 MCULE-2474672632 [0,1,0,1,0,0|2,0,0]=4 501 B12R1.8 NCCCOCC1=CC=CC=C1 MCULE-8002466257 [0,1,0,1,0,0|2,0,0]=4 502 B12R1.8 NCCCOCC1=CC=CC=C1 MCULE-9397068798 [0,1,0,1,0,0|2,0,0]=4 503 B12R1.8 NCCCSCC1=CC=CC=C1 MCULE-1673713041 [0,1,0,1,0,0|2,0,0]=4 504 B12R1.8 NCCNCCC1=CC=CC=C1 MCULE-3632090498 [0,1,0,1,0,0|2,0,0]=4 505 B12R1.8 NCCNCCC1=CC=CC=C1 MCULE-4054650445 [0,1,0,1,0,0|2,0,0]=4 506 B12R1.8 NCCOCCC1=CC=CC=C1 MCULE-1515023680 [0,1,0,1,0,0|2,0,0]=4 507 B12R1.8 NCCOCCC1=CC=CC=C1 MCULE-2912577841 [0,1,0,1,0,0|2,0,0]=4 508 B12R1.8 NOCCCCC1=CC=CC=C1 MCULE-1592558959 [0,1,0,1,0,0|2,0,0]=4 509 B12R1.8 O=CCCCCC1=CC=CC=C1 MCULE-3746966374 [0,1,0,1,0,0|1,0,1]=4 510 B12R1.8 OCCCCCC1=CC=CC=C1 MCULE-9291934637 [0,1,0,1,0,0|1,0,0]=3 511 B12R1.8 OCCCCOC1=CC=CC=C1 MCULE-3223154409 [0,1,0,1,0,0|2,0,0]=4 512 B12R1.8 OCCCNCC1=CC=CC=C1 MCULE-2323633803 [0,1,0,1,0,0|2,0,0]=4 513 B12R1.8 OCCCNCC1=CC=CC=C1 MCULE-3934503574 [0,1,0,1,0,0|2,0,0]=4 514 B12R1.8 OCCCNCC1=CC=CC=N1 MCULE-6112490729 [0,1,0,1,0,0|2,0,0]=4 515 B12R1.8 OCCCOCC1=CC=CC=C1 MCULE-8079526520 [0,1,0,1,0,0|2,0,0]=4 516 B12R1.8 OCCCSCC1=CC=CC=C1 MCULE-8592748723 [0,1,0,1,0,0|2,0,0]=4 517 B12R1.8 OCCNCCC1=CC=CC=C1 MCULE-5313727578 [0,1,0,1,0,0|2,0,0]=4 518 B12R1.8 OCCOCCC1=CC=CC=C1 MCULE-9734786153 [0,1,0,1,0,0|2,0,0]=4 519 B12R1.8 OCCSCCC1=CC=CC=N1 MCULE-4288175177 [0,1,0,1,0,0|2,0,0]=4 520 B12R1.8 OCCSCCC1=CC=CC=N1 MCULE-9399143984 [0,1,0,1,0,0|2,0,0]=4 521 B12R1.8 ONCCCCC1=CC=CC=C1 MCULE-2550804844 [0,1,0,1,0,0|2,0,0]=4 522 B12R1.8 ONCCCCC1=CC=CC=C1 MCULE-4390440585 [0,1,0,1,0,0|2,0,0]=4 523 B12R1.8 SCCCCOC1=CC=CC=C1 MCULE-3913768032 [0,1,0,1,0,0|2,0,0]=4 524 B12R1.8 SCCCCSC1=CC=CC=C1 MCULE-4053575064 [0,1,0,1,0,0|2,0,0]=4 525 B12R1.37 CCCCCC#CC1=CC=CS1 MCULE-5447624192 [0,1,0,1,0,0|0,1,1]=4 526 B12R1.37 CCCCCCCC1=CC=CO1 MCULE-4055197722 [0,1,0,1,0,0|0,0,2]=4 527 B12R1.37 CCCCCCSC1=CC=CS1 MCULE-8345143354 [0,1,0,1,0,0|0,1,1]=4 528 B12R1.45 COCCCN1N=CC=C1C=O MCULE-5128583927 [0,1,0,1,0,0|2,0,0]=4 529 B12R1.121 CCCOC1=C(C=CC=N1)C=O MCULE-5574113587 [0,1,0,1,0,0|1,0,1]=4 530 B12R1.121 CCCOC1=CC=CC=C1C=O MCULE-7807414930 [0,1,0,1,0,0|0,0,2]=4 531 B12R1.121 CCCSC1=C(C=CC=C1)C=O MCULE-1279835793 [0,1,0,1,0,0|0,0,2]=4 532 B12R1.267 BrCCCCC1=CC=CC=C1Br MCULE-6126909285 [0,1,0,1,0,0|1,0,1]=4 533 B12R1.267 CC1=C(C=CC=C1)CCCCN MCULE-2992696271 [0,1,0,1,0,0|1,0,1]=4 534 B12R1.267 CC1=C(C=CC=C1)CCCCN MCULE-6662310200 [0,1,0,1,0,0|1,0,1]=4 535 B12R1.267 CC1=CC=CC=C1CCCCBr MCULE-7589398832 [0,1,0,1,0,0|1,0,1]=4 536 B12R1.267 CCCCCC1=C(C=NC=N1)Br MCULE-3847632975 [0,1,0,1,0,0|2,0,0]=4 537 B12R1.267 CCCCCC1=CC=CC=C1N MCULE-5778384557 [0,1,0,1,0,0|1,0,0]=3 538 B12R1.267 CCCCCC1=CC=CC=C1O MCULE-4285273619 [0,1,0,1,0,0|0,0,1]=3 539 B12R1.267 CCCCNC1=CC=CC=C1N MCULE-2565372921 [0,1,0,1,0,0|1,0,1]=4 540 B12R1.267 CCCCNC1=NC=CC=C1N MCULE-4781994356 [0,1,0,1,0,0|2,0,0]=4 541 B12R1.267 CCCCOC1=C(C=CC=C1)Br MCULE-9455184134 [0,1,0,1,0,0|1,0,1]=4 542 B12R1.267 CCCCOC1=C(C=CC=C1)N MCULE-8335122948 [0,1,0,1,0,0|1,0,1]=4 543 B12R1.267 CCCCOC1=C(C=CC=N1)Cl MCULE-7538588306 [0,1,0,1,0,0|2,0,0]=4 544 B12R1.267 CCCCOC1=CC=CC=C1C MCULE-1629029446 [0,1,0,1,0,0|1,0,1]=4 545 B12R1.267 CCCCOC1=CC=CC=C1O MCULE-6535712862 [0,1,0,1,0,0|0,0,2]=4 546 B12R1.267 CCCCOC1=CC=CC=C1S MCULE-7155390064 [0,1,0,1,0,0|0,1,1]=4 547 B12R1.267 CCCCOC1=CC=CN=C1Cl MCULE-8095526953 [0,1,0,1,0,0|2,0,0]=4 548 B12R1.267 CCCCOC1=NC=CC=C1Br MCULE-1804262788 [0,1,0,1,0,0|2,0,0]=4 549 B12R1.267 CCCCSC1=C(C=CC=C1)Br MCULE-7374685697 [0,1,0,1,0,0|1,0,1]=4 550 B12R1.267 CCCCSC1=C(C=CC=C1)S MCULE-4879025111 [0,1,0,1,0,0|0,1,1]=4 551 B12R1.267 CCCNCC1=C(C=CC=C1)Br MCULE-6158195497 [0,1,0,1,0,0|1,0,1]=4 552 B12R1.267 CCCNCC1=C(C=CC=C1)Br MCULE-8303503429 [0,1,0,1,0,0|1,0,1]=4 553 B12R1.267 CCCNCC1=C(C=CC=C1)Cl MCULE-8479827090 [0,1,0,1,0,0|1,0,1]=4 554 B12R1.267 CCCNCC1=C(C=CC=C1)Cl MCULE-9972565176 [0,1,0,1,0,0|1,0,1]=4 555 B12R1.267 CCCNCC1=C(C=CC=C1)O MCULE-3099779488 [0,1,0,1,0,0|0,0,2]=4 556 B12R1.267 CCCNCC1=C(C=CC=C1)O MCULE-8578418379 [0,1,0,1,0,0|0,0,2]=4 557 B12R1.267 CCCNCC1=CC=CC=C1C MCULE-1072152522 [0,1,0,1,0,0|1,0,1]=4 558 B12R1.267 CCCNCC1=CC=CC=C1C MCULE-3854036104 [0,1,0,1,0,0|1,0,1]=4 559 B12R1.267 CCCNCC1=CC=CC=C1F MCULE-3488126974 [0,1,0,1,0,0|1,0,1]=4 560 B12R1.267 CCCNCC1=CC=CC=C1F MCULE-6891820429 [0,1,0,1,0,0|1,0,1]=4 561 B12R1.267 CCCOCC1=C(C=CC=C1)Br MCULE-5124071632 [0,1,0,1,0,0|1,0,1]=4 562 B12R1.267 CCCOCC1=C(C=CC=C1)S MCULE-4556951163 [0,1,0,1,0,0|0,1,1]=4 563 B12R1.267 CCCSCC1=CC=CC=C1Br MCULE-3467296152 [0,1,0,1,0,0|1,0,1]=4 564 B12R1.267 CCNCCC1=CC=CC=C1F MCULE-5894159042 [0,1,0,1,0,0|1,0,1]=4 565 B12R1.267 CCOCCC1=CC=CC=C1Br MCULE-6152574756 [0,1,0,1,0,0|1,0,1]=4 566 B12R1.267 CNCCCC1=C(C=CC=C1)Br MCULE-3062762533 [0,1,0,1,0,0|1,0,1]=4 567 B12R1.267 CNCCCC1=C(C=CC=C1)Cl MCULE-5007871746 [0,1,0,1,0,0|1,0,1]=4 568 B12R1.267 CNCCCC1=CC=CC=C1C MCULE-4304869449 [0,1,0,1,0,0|1,0,1]=4 569 B12R1.267 CNCCCC1=CC=CC=C1F MCULE-9933078146 [0,1,0,1,0,0|1,0,1]=4 570 B12R1.267 ClCCCCC1=C(C=CC=C1)Br MCULE-1031878035 [0,1,0,1,0,0|1,0,1]=4 571 B12R1.267 FC1=CC=CC=C1CCCCBr MCULE-2433410373 [0,1,0,1,0,0|1,0,1]=4 572 B12R1.267 FC1=CC=CC=C1CCCCI MCULE-7794071277 [0,1,0,1,0,0|1,0,1]=4 573 B12R1.267 N#CCCCN1C=CC=CC1=O MCULE-4092934065 [0,1,0,1,0,0|1,0,1]=4 574 B12R1.267 NCCCCC1=C(C=CC=C1)Br MCULE-7565778744 [0,1,0,1,0,0|1,0,1]=4 575 B12R1.267 NCCCCC1=C(C=CC=C1)Cl MCULE-2795860219 [0,1,0,1,0,0|1,0,1]=4 576 B12R1.267 NCCCCC1=C(C=CC=C1)Cl MCULE-5313297656 [0,1,0,1,0,0|1,0,1]=4 577 B12R1.267 NCCCCC1=C(C=CC=C1)F MCULE-6220440604 [0,1,0,1,0,0|1,0,1]=4 578 B12R1.267 NCCCCC1=C(C=CC=C1)F MCULE-8052313810 [0,1,0,1,0,0|1,0,1]=4 579 B12R1.267 NCCCCC1=C(C=CC=N1)Br MCULE-3268853517 [0,1,0,1,0,0|2,0,0]=4 580 B12R1.267 NCCCCC1=NC=CC=C1Cl MCULE-7187435546 [0,1,0,1,0,0|2,0,0]=4 581 B12R1.267 OCCCCC1=CC=CC=C1Br MCULE-3260285091 [0,1,0,1,0,0|1,0,1]=4 582 B12R1.372 CCCCCCC1=C(SC=C1)Br MCULE-7515010064 [0,1,0,1,0,0|1,0,1]=4 583 B12R1.372 CCCCCCC1=C(SC=C1)Cl MCULE-2692746867 [0,1,0,1,0,0|1,0,1]=4 584 B12R1.372 CCCCCCC1=CCCC1=O MCULE-1287633510 [0,1,0,1,0,0|0,0,2]=4 585 B12R1.372 CCCCNCC1=C(C=CS1)C MCULE-2879439793 [0,1,0,1,0,0|2,0,0]=4 586 B12R1.372 CCCCNCC1=C(C=CS1)C MCULE-7122332882 [0,1,0,1,0,0|2,0,0]=4 587 B12R1.372 CCCCNCC1=C(C=CS1)C MCULE-7208163042 [0,1,0,1,0,0|2,0,0]=4 588 B12R1.372 CCCCNCC1=CC=CN1C MCULE-5200747508 [0,1,0,1,0,0|2,0,0]=4 589 B12R1.372 CCCCNCC1=CC=CN1C MCULE-5812003413 [0,1,0,1,0,0|2,0,0]=4 590 B12R1.1410 CCCCCC1OC1C=CC=O MCULE-4436934736 [0,1,0,1,0,0|0,0,2]=4 591 B12R1.1410 CCCCC[C@H]1O[C@@H]1C=CC=O MCULE-6093862797 [0,1,0,1,0,0|0,0,2]=4 592 B12R1.28 BrCCCCC1=CC=CC(=C1)Br MCULE-3717862086 [0,1,0,1,0,0|2,0,0]=4 593 B12R1.28 CC1=CC(=CC=C1)CCCCBr MCULE-3008758912 [0,1,0,1,0,0|2,0,0]=4 594 B12R1.28 CC1=CC=CC(=N1)CCCCO MCULE-7110211783 [0,1,0,1,0,0|2,0,0]=4 595 B12R1.28 CCCCCC1=CC(=CC=C1)F MCULE-7525672402 [0,1,0,1,0,0|1,0,0]=3 596 B12R1.28 CCCCCC1=CC(=CC=C1)N MCULE-3841923041 [0,1,0,1,0,0|1,0,0]=3 597 B12R1.28 CCCCCC1=CC=CC(=C1)O MCULE-1153309638 [0,1,0,1,0,0|0,0,1]=3 598 B12R1.28 CCCCCC1=CC=CC(=O)O1 MCULE-5618749422 [0,1,0,1,0,0|0,0,0]=2 599 B12R1.28 CCCCCC1=CC=NC(=C1)C MCULE-7653817030 [0,1,0,1,0,0|2,0,0]=4 600 B12R1.28 CCCCCC1=CC=NC(=C1)N MCULE-3830230854 [0,1,0,1,0,0|2,0,0]=4 601 B12R1.28 CCCCCC1CC=CC(=O)O1 MCULE-9666662342 [0,1,0,1,0,0|0,0,2]=4 602 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 MCULE-1286702458 [0,1,0,1,0,0|0,0,2]=4 603 B12R1.28 CCCCC[C@H]1CC=CC(=O)O1 MCULE-7838361683 [0,1,0,1,0,0|0,0,2]=4 604 B12R1.28 CCCCNC1=CC(=CC=C1)I MCULE-2515209246 [0,1,0,1,0,0|2,0,0]=4 605 B12R1.28 CCCCNC1=CC(=CC=C1)I MCULE-7810517467 [0,1,0,1,0,0|2,0,0]=4 606 B12R1.28 CCCCNC1=NC(=CC=C1)Cl MCULE-9638817948 [0,1,0,1,0,0|2,0,0]=4 607 B12R1.28 CCCCOC1=CC(=CC=C1)N MCULE-5612944891 [0,1,0,1,0,0|2,0,0]=4 608 B12R1.28 CCCCOC1=CC(=CC=C1)S MCULE-8252266187 [0,1,0,1,0,0|1,1,0]=4 609 B12R1.28 CCCCOC1=CC=CC(=C1)Br MCULE-5205879021 [0,1,0,1,0,0|2,0,0]=4 610 B12R1.28 CCCCOC1=CC=CC(=C1)F MCULE-9243750232 [0,1,0,1,0,0|2,0,0]=4 611 B12R1.28 CCCCOC1=CC=CC(=C1)N MCULE-6856477146 [0,1,0,1,0,0|2,0,0]=4 612 B12R1.28 CCCCOC1=CC=CC(=C1)O MCULE-1564102323 [0,1,0,1,0,0|1,0,1]=4 613 B12R1.28 CCCCOC1=CC=CC(=N1)Br MCULE-7684142119 [0,1,0,1,0,0|2,0,0]=4 614 B12R1.28 CCCCOC1=NC=CC(=C1)Cl MCULE-1684850097 [0,1,0,1,0,0|2,0,0]=4 615 B12R1.28 CCCCOC1=NC=CC(=C1)N MCULE-7374050896 [0,1,0,1,0,0|2,0,0]=4 616 B12R1.28 CCCCSC1=CC=CC(=C1)Br MCULE-7709097037 [0,1,0,1,0,0|2,0,0]=4 617 B12R1.28 CCCCSC1=CC=CC(=C1)S MCULE-7043668627 [0,1,0,1,0,0|1,1,0]=4 618 B12R1.28 CCCCSC1=NC=CC(=O)N1 MCULE-3477918714 [0,1,0,1,0,0|2,0,0]=4 619 B12R1.28 CCCNCC1=CC(=CC=C1)C MCULE-7180885962 [0,1,0,1,0,0|2,0,0]=4 620 B12R1.28 CCCNCC1=CC(=CC=C1)F MCULE-1906878045 [0,1,0,1,0,0|2,0,0]=4 621 B12R1.28 CCCNCC1=CC(=CC=C1)O MCULE-6347614449 [0,1,0,1,0,0|1,0,1]=4 622 B12R1.28 CCCNCC1=CC(=CC=C1)O MCULE-7701516326 [0,1,0,1,0,0|1,0,1]=4 623 B12R1.28 CCCNCC1=CC=CC(=C1)Br MCULE-1862670599 [0,1,0,1,0,0|2,0,0]=4 624 B12R1.28 CCCNCC1=CC=CC(=C1)Br MCULE-6919826895 [0,1,0,1,0,0|2,0,0]=4 625 B12R1.28 CCCNCC1=CC=CC(=C1)C MCULE-4374153750 [0,1,0,1,0,0|2,0,0]=4 626 B12R1.28 CCCNCC1=CC=CC(=C1)Cl MCULE-1500357191 [0,1,0,1,0,0|2,0,0]=4 627 B12R1.28 CCCNCC1=CC=CC(=C1)Cl MCULE-4592686804 [0,1,0,1,0,0|2,0,0]=4 628 B12R1.28 CCCNCC1=CC=CC(=C1)F MCULE-8027762304 [0,1,0,1,0,0|2,0,0]=4 629 B12R1.28 CCCNCC1=CC=CC(=C1)I MCULE-4959561705 [0,1,0,1,0,0|2,0,0]=4 630 B12R1.28 CCCOCC1=CC=CC(=C1)Br MCULE-1270194476 [0,1,0,1,0,0|2,0,0]=4 631 B12R1.28 CCCOCC1=CC=CC(=C1)S MCULE-4298383048 [0,1,0,1,0,0|1,1,0]=4 632 B12R1.28 CCNCCC1=CC(=CC=C1)Cl MCULE-2211568474 [0,1,0,1,0,0|2,0,0]=4 633 B12R1.28 CCNCCC1=CC=CC(=C1)Cl MCULE-5795397211 [0,1,0,1,0,0|2,0,0]=4 634 B12R1.28 CCOCCC1=CC(=CC=C1)Br MCULE-6878689424 [0,1,0,1,0,0|2,0,0]=4 635 B12R1.28 CNCCCC1=CC(=CC=C1)Br MCULE-8106972950 [0,1,0,1,0,0|2,0,0]=4 636 B12R1.28 CNCCCC1=CC(=CC=C1)F MCULE-3353582381 [0,1,0,1,0,0|2,0,0]=4 637 B12R1.28 CNCCCC1=CC=CC(=C1)C MCULE-5163669409 [0,1,0,1,0,0|2,0,0]=4 638 B12R1.28 CNCCCC1=CC=CC(=C1)Cl MCULE-5337273442 [0,1,0,1,0,0|2,0,0]=4 639 B12R1.28 ClC1=CC(=CC=C1)CCCCBr MCULE-2967715640 [0,1,0,1,0,0|2,0,0]=4 640 B12R1.28 NCCCCC1=CC(=CC=C1)Br MCULE-1038699957 [0,1,0,1,0,0|2,0,0]=4 641 B12R1.28 NCCCCC1=CC(=CC=C1)Cl MCULE-7711773292 [0,1,0,1,0,0|2,0,0]=4 642 B12R1.28 NCCCCC1=CC(=CC=C1)F MCULE-4079942410 [0,1,0,1,0,0|2,0,0]=4 643 B12R1.28 OCCCCC1=CC(=CC=C1)Br MCULE-3217566034 [0,1,0,1,0,0|2,0,0]=4 644 B12R1.28 OCCCCC1=CC(=CC=C1)Cl MCULE-8916666497 [0,1,0,1,0,0|2,0,0]=4 645 B12R1.32 CCCC(=O)CC1=CC=CC=C1 MCULE-4001455569 [0,1,0,1,0,0|1,0,1]=4 646 B12R1.32 CCCC(C)NC1=CC=CC=C1 MCULE-4080915511 [0,1,0,1,0,0|2,0,0]=4 647 B12R1.32 CCCC(N)CC1=CC=CC=C1 MCULE-6420973885 [0,1,0,1,0,0|1,0,0]=3 648 B12R1.32 CCCC(O)CC1=CC=CC=C1 MCULE-4275806844 [0,1,0,1,0,0|1,0,0]=3 649 B12R1.32 CCNC(C)CC1=CC=CC=C1 MCULE-2397384428 [0,1,0,1,0,0|2,0,0]=4 650 B12R1.32 CCNC(C)CC1=CC=CC=C1 MCULE-9107745935 [0,1,0,1,0,0|2,0,0]=4 651 B12R1.32 CNCC(C)CC1=CC=CC=C1 MCULE-2092491375 [0,1,0,1,0,0|2,0,0]=4 652 B12R1.32 CNCC(N)CC1=CC=CC=C1 MCULE-4291247711 [0,1,0,1,0,0|2,0,0]=4 653 B12R1.32 CNCC(O)CC1=CC=CC=C1 MCULE-4746668748 [0,1,0,1,0,0|2,0,0]=4 654 B12R1.32 COCC(N)CC1=CC=CC=C1 MCULE-1095061334 [0,1,0,1,0,0|2,0,0]=4 655 B12R1.32 COCC(N)CC1=CC=CC=C1 MCULE-6932547879 [0,1,0,1,0,0|2,0,0]=4 656 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 MCULE-1120791156 [0,1,0,1,0,0|2,0,0]=4 657 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 MCULE-1489938428 [0,1,0,1,0,0|2,0,0]=4 658 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 MCULE-2456955055 [0,1,0,1,0,0|2,0,0]=4 659 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 MCULE-8785058878 [0,1,0,1,0,0|2,0,0]=4 660 B12R1.32 COC[C@H](N)CC1=CC=CC=C1 MCULE-6439803226 [0,1,0,1,0,0|2,0,0]=4 661 B12R1.32 COC[C@H](N)CC1=CC=CC=C1 MCULE-7609850410 [0,1,0,1,0,0|2,0,0]=4 662 B12R1.32 NC(CCO)CC1=CC=CC=C1 MCULE-2804195065 [0,1,0,1,0,0|2,0,0]=4 663 B12R1.32 NC(CCO)CC1=CC=CC=C1 MCULE-5844933369 [0,1,0,1,0,0|2,0,0]=4 664 B12R1.69 CC1=CC(=O)N(C=C1)CCCN MCULE-2209956894 [0,1,0,1,0,0|2,0,0]=4 665 B12R1.69 CCCCC1=CC=C(C=C1O)C MCULE-1266562979 [0,1,0,1,0,0|0,0,2]=4 666 B12R1.69 CCCCC1=CC=C(C=C1O)F MCULE-8877180131 [0,1,0,1,0,0|0,0,2]=4 667 B12R1.69 CCCCC1=CC=C(C=C1O)O MCULE-3536549871 [0,1,0,1,0,0|0,0,2]=4 668 B12R1.69 CCCCN1C=CC(=CC1=O)Br MCULE-2173063078 [0,1,0,1,0,0|1,0,0]=3 669 B12R1.69 CCCCN1C=CC(=O)NC1=O MCULE-3669207438 [0,1,0,1,0,0|2,0,0]=4 670 B12R1.69 CCCCN1C=NC(=CC1=O)C MCULE-2120761808 [0,1,0,1,0,0|2,0,0]=4 671 B12R1.69 COCCN1C=CC(=CC1=O)Br MCULE-2385043567 [0,1,0,1,0,0|2,0,0]=4 672 B12R1.69 COCCN1C=CC(=CC1=O)N MCULE-3825035744 [0,1,0,1,0,0|2,0,0]=4 673 B12R1.69 COCCN1C=CC(=CC1=O)N MCULE-9484098702 [0,1,0,1,0,0|2,0,0]=4 674 B12R1.308 CCCC(N)C1=C(C=CC=C1)C MCULE-7227737975 [0,1,0,1,0,0|1,0,1]=4 675 B12R1.308 CCCC(N)C1=C(C=CC=C1)C MCULE-7677628974 [0,1,0,1,0,0|1,0,1]=4 676 B12R1.308 CCCC(N)C1=C(C=CC=C1)C MCULE-9888767750 [0,1,0,1,0,0|1,0,1]=4 677 B12R1.308 CCCC(N)C1=C(C=CC=C1)F MCULE-8873773021 [0,1,0,1,0,0|1,0,1]=4 678 B12R1.308 CCCC(N)C1=C(C=CC=C1)F MCULE-9429453837 [0,1,0,1,0,0|1,0,1]=4 679 B12R1.308 CCCC(N)C1=CC=CC=C1Cl MCULE-4402113498 [0,1,0,1,0,0|1,0,1]=4 680 B12R1.308 CCCC(N)C1=CC=CC=C1O MCULE-1263594721 [0,1,0,1,0,0|0,0,2]=4 681 B12R1.308 CCCC(O)C1=C(C=CC=C1)C MCULE-5353842955 [0,1,0,1,0,0|1,0,1]=4 682 B12R1.308 CCCC(O)C1=C(C=CC=C1)Cl MCULE-2546259346 [0,1,0,1,0,0|1,0,1]=4 683 B12R1.308 CCC[C@@H](N)C1=C(C=CC=C1)C MCULE-2342450204 [0,1,0,1,0,0|1,0,1]=4 684 B12R1.308 CCC[C@@H](N)C1=C(C=CC=C1)C MCULE-4065263565 [0,1,0,1,0,0|1,0,1]=4 685 B12R1.308 CCC[C@@H](N)C1=C(C=CC=C1)Cl MCULE-5472060390 [0,1,0,1,0,0|1,0,1]=4 686 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1Br MCULE-7248621295 [0,1,0,1,0,0|1,0,1]=4 687 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1Br MCULE-7922818097 [0,1,0,1,0,0|1,0,1]=4 688 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1C MCULE-3674620250 [0,1,0,1,0,0|1,0,1]=4 689 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1C MCULE-8200076676 [0,1,0,1,0,0|1,0,1]=4 690 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1Cl MCULE-2292921807 [0,1,0,1,0,0|1,0,1]=4 691 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1F MCULE-5323507150 [0,1,0,1,0,0|1,0,1]=4 692 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1F MCULE-9903079221 [0,1,0,1,0,0|1,0,1]=4 693 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1I MCULE-2228236682 [0,1,0,1,0,0|1,0,1]=4 694 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1I MCULE-9930583515 [0,1,0,1,0,0|1,0,1]=4 695 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1O MCULE-4904736595 [0,1,0,1,0,0|0,0,2]=4 696 B12R1.308 CCC[C@@H](N)C1=CC=CC=C1O MCULE-9299026363 [0,1,0,1,0,0|0,0,2]=4 697 B12R1.308 CCC[C@H](N)C1=C(C=CC=C1)Br MCULE-9060715154 [0,1,0,1,0,0|1,0,1]=4 698 B12R1.308 CCC[C@H](N)C1=C(C=CC=C1)C MCULE-6470126120 [0,1,0,1,0,0|1,0,1]=4 699 B12R1.308 CCC[C@H](N)C1=C(C=CC=C1)C MCULE-7137957240 [0,1,0,1,0,0|1,0,1]=4 700 B12R1.308 CCC[C@H](N)C1=C(C=CC=C1)Cl MCULE-4682312219 [0,1,0,1,0,0|1,0,1]=4 701 B12R1.308 CCC[C@H](N)C1=CC=CC=C1Br MCULE-3457286840 [0,1,0,1,0,0|1,0,1]=4 702 B12R1.308 CCC[C@H](N)C1=CC=CC=C1C MCULE-5970528267 [0,1,0,1,0,0|1,0,1]=4 703 B12R1.308 CCC[C@H](N)C1=CC=CC=C1C MCULE-9668223932 [0,1,0,1,0,0|1,0,1]=4 704 B12R1.308 CCC[C@H](N)C1=CC=CC=C1Cl MCULE-8416300726 [0,1,0,1,0,0|1,0,1]=4 705 B12R1.308 CCC[C@H](N)C1=CC=CC=C1F MCULE-7431033762 [0,1,0,1,0,0|1,0,1]=4 706 B12R1.308 CCC[C@H](N)C1=CC=CC=C1F MCULE-8865613022 [0,1,0,1,0,0|1,0,1]=4 707 B12R1.308 CCC[C@H](N)C1=CC=CC=C1I MCULE-4348916316 [0,1,0,1,0,0|1,0,1]=4 708 B12R1.308 CCC[C@H](N)C1=CC=CC=C1I MCULE-5640371032 [0,1,0,1,0,0|1,0,1]=4 709 B12R1.308 CCC[C@H](N)C1=CC=CC=C1O MCULE-5845481093 [0,1,0,1,0,0|0,0,2]=4 710 B12R1.308 CCC[C@H](N)C1=CC=CC=C1O MCULE-9645521350 [0,1,0,1,0,0|0,0,2]=4 711 B12R1.1 BrC1=CC=C(C=C1)CCCCI MCULE-6185687600 [0,1,0,1,0,0|2,0,0]=4 712 B12R1.1 BrCCCCC1=CC=C(C=C1)Br MCULE-5711818711 [0,1,0,1,0,0|2,0,0]=4 713 B12R1.1 CC1=CC=C(C=C1)CCCCN MCULE-5265503935 [0,1,0,1,0,0|2,0,0]=4 714 B12R1.1 CCCCCC1=CC=C(C=C1)Br MCULE-6002180162 [0,1,0,1,0,0|1,0,0]=3 715 B12R1.1 CCCCCC1=CC=C(C=C1)Cl MCULE-8705075866 [0,1,0,1,0,0|1,0,0]=3 716 B12R1.1 CCCCCC1=CC=C(C=C1)F MCULE-5175147071 [0,1,0,1,0,0|1,0,0]=3 717 B12R1.1 CCCCCC1=CC=C(C=C1)I MCULE-1115407306 [0,1,0,1,0,0|1,0,0]=3 718 B12R1.1 CCCCCC1=CC=C(C=C1)N MCULE-8970105380 [0,1,0,1,0,0|1,0,0]=3 719 B12R1.1 CCCCCC1=CC=C(C=C1)O MCULE-8456321538 [0,1,0,1,0,0|1,0,0]=3 720 B12R1.1 CCCCCC1=CC=C(C=N1)O MCULE-8445153917 [0,1,0,1,0,0|1,0,0]=3 721 B12R1.1 CCCCCC1=CC=C(N=C1)C MCULE-6227729300 [0,1,0,1,0,0|2,0,0]=4 722 B12R1.1 CCCCCN1C=CC(=N)C=C1 MCULE-8522964087 [0,1,0,1,0,0|2,0,0]=4 723 B12R1.1 CCCCCN1C=CC(=[NH2+])C=C1 MCULE-1558864218 [0,1,0,1,0,0|2,0,0]=4 724 B12R1.1 CCCCNC1=NC=C(C=C1)Br MCULE-7824151160 [0,1,0,1,0,0|2,0,0]=4 725 B12R1.1 CCCCOC1=CC=C(C=C1)Br MCULE-9549321149 [0,1,0,1,0,0|2,0,0]=4 726 B12R1.1 CCCCOC1=CC=C(C=C1)C MCULE-7541981253 [0,1,0,1,0,0|2,0,0]=4 727 B12R1.1 CCCCOC1=CC=C(C=C1)Cl MCULE-9791852542 [0,1,0,1,0,0|2,0,0]=4 728 B12R1.1 CCCCOC1=CC=C(C=C1)I MCULE-7908144555 [0,1,0,1,0,0|2,0,0]=4 729 B12R1.1 CCCCOC1=CC=C(C=C1)N MCULE-7144214119 [0,1,0,1,0,0|2,0,0]=4 730 B12R1.1 CCCCOC1=CC=C(C=C1)O MCULE-2788753406 [0,1,0,1,0,0|2,0,0]=4 731 B12R1.1 CCCCOC1=CC=C(C=C1)S MCULE-3826990607 [0,1,0,1,0,0|2,0,0]=4 732 B12R1.1 CCCCOC1=NC=C(C=C1)Br MCULE-2535904781 [0,1,0,1,0,0|2,0,0]=4 733 B12R1.1 CCCCOC1=NC=C(C=C1)N MCULE-4590305039 [0,1,0,1,0,0|2,0,0]=4 734 B12R1.1 CCCCSC1=CC=C(C=C1)Br MCULE-5189550387 [0,1,0,1,0,0|2,0,0]=4 735 B12R1.1 CCCCSC1=CC=C(C=C1)N MCULE-3643820895 [0,1,0,1,0,0|2,0,0]=4 736 B12R1.1 CCCCSC1=CC=C(C=C1)N MCULE-9146644497 [0,1,0,1,0,0|2,0,0]=4 737 B12R1.1 CCCCSC1=CC=C(C=C1)S MCULE-1508004342 [0,1,0,1,0,0|2,0,0]=4 738 B12R1.1 CCCNCC1=CC=C(C=C1)Br MCULE-2347407767 [0,1,0,1,0,0|2,0,0]=4 739 B12R1.1 CCCNCC1=CC=C(C=C1)Br MCULE-3191958060 [0,1,0,1,0,0|2,0,0]=4 740 B12R1.1 CCCNCC1=CC=C(C=C1)C MCULE-3693252585 [0,1,0,1,0,0|2,0,0]=4 741 B12R1.1 CCCNCC1=CC=C(C=C1)C MCULE-6250879717 [0,1,0,1,0,0|2,0,0]=4 742 B12R1.1 CCCNCC1=CC=C(C=C1)Cl MCULE-4668059713 [0,1,0,1,0,0|2,0,0]=4 743 B12R1.1 CCCNCC1=CC=C(C=C1)Cl MCULE-7444662136 [0,1,0,1,0,0|2,0,0]=4 744 B12R1.1 CCCNCC1=CC=C(C=C1)F MCULE-6305052890 [0,1,0,1,0,0|2,0,0]=4 745 B12R1.1 CCCNCC1=CC=C(C=C1)F MCULE-8178229592 [0,1,0,1,0,0|2,0,0]=4 746 B12R1.1 CCCNCC1=CC=C(C=C1)O MCULE-4691576019 [0,1,0,1,0,0|2,0,0]=4 747 B12R1.1 CCCNCC1=CC=C(C=C1)O MCULE-5486881161 [0,1,0,1,0,0|2,0,0]=4 748 B12R1.1 CCCOCC1=CC=C(C=C1)Br MCULE-5370096321 [0,1,0,1,0,0|2,0,0]=4 749 B12R1.1 CCCOCC1=CC=C(C=C1)S MCULE-9375425235 [0,1,0,1,0,0|2,0,0]=4 750 B12R1.1 CCNCCC1=CC=C(C=C1)C MCULE-7937101884 [0,1,0,1,0,0|2,0,0]=4 751 B12R1.1 CCNCCC1=CC=C(C=C1)Cl MCULE-5486426687 [0,1,0,1,0,0|2,0,0]=4 752 B12R1.1 CCOCCC1=CC=C(C=C1)Br MCULE-6711696751 [0,1,0,1,0,0|2,0,0]=4 753 B12R1.1 CCOCCC1=CC=C(C=C1)O MCULE-3903995089 [0,1,0,1,0,0|2,0,0]=4 754 B12R1.1 CNCCCC1=CC=C(C=C1)Br MCULE-9133206247 [0,1,0,1,0,0|2,0,0]=4 755 B12R1.1 CNCCCC1=CC=C(C=C1)C MCULE-9568466682 [0,1,0,1,0,0|2,0,0]=4 756 B12R1.1 CNCCCC1=CC=C(C=C1)Cl MCULE-7703874160 [0,1,0,1,0,0|2,0,0]=4 757 B12R1.1 CNCCCC1=CC=C(C=C1)F MCULE-8683124856 [0,1,0,1,0,0|2,0,0]=4 758 B12R1.1 COCCCC1=CC=C(C=C1)Br MCULE-7642477695 [0,1,0,1,0,0|2,0,0]=4 759 B12R1.1 ClC1=CC=C(C=C1)CCCCBr MCULE-6761397442 [0,1,0,1,0,0|2,0,0]=4 760 B12R1.1 FC1=CC=C(C=C1)CCCCBr MCULE-9099920436 [0,1,0,1,0,0|2,0,0]=4 761 B12R1.1 FC1=CC=C(C=C1)CCCCCl MCULE-7968412954 [0,1,0,1,0,0|2,0,0]=4 762 B12R1.1 FC1=CC=C(C=C1)CCCCI MCULE-5963177554 [0,1,0,1,0,0|2,0,0]=4 763 B12R1.1 NC1=CC=C(C=C1)CCCCO MCULE-3059080015 [0,1,0,1,0,0|2,0,0]=4 764 B12R1.1 NCCCCC1=CC=C(C=C1)Br MCULE-7791570338 [0,1,0,1,0,0|2,0,0]=4 765 B12R1.1 NCCCCC1=CC=C(C=C1)Cl MCULE-6697094830 [0,1,0,1,0,0|2,0,0]=4 766 B12R1.1 NCCCCC1=CC=C(C=C1)Cl MCULE-6928037348 [0,1,0,1,0,0|2,0,0]=4 767 B12R1.1 NCCCCC1=CC=C(C=C1)F MCULE-3444273774 [0,1,0,1,0,0|2,0,0]=4 768 B12R1.1 NCCCCC1=CC=C(C=C1)O MCULE-4000188123 [0,1,0,1,0,0|2,0,0]=4 769 B12R1.1 OCCCCC1=CC=C(C=C1)Br MCULE-6127744393 [0,1,0,1,0,0|2,0,0]=4 770 B12R1.1 OCCCCC1=CC=C(C=C1)F MCULE-5160690383 [0,1,0,1,0,0|2,0,0]=4 771 B12R1.1 OCCCCC1=CC=C(C=C1)O MCULE-4460665362 [0,1,0,1,0,0|2,0,0]=4 772 B12R1.7 CCCC#C/C=C\1/C=CC(=O)O1 MCULE-7490115827 [0,1,0,1,0,0|0,0,2]=4 773 B12R1.7 CCCC#CC=C1C=CC(=O)O1 MCULE-8094915826 [0,1,0,1,0,0|0,0,2]=4 774 B12R1.7 CCCCCCC1=CC(=CS1)Br MCULE-1422376141 [0,1,0,1,0,0|0,1,1]=4 775 B12R1.7 CCCCCCC1=CC=C(S1)Br MCULE-1461338690 [0,1,0,1,0,0|0,1,1]=4 776 B12R1.25 CCCCC1=C(C(=CC=C1)F)O MCULE-7348226102 [0,1,0,1,0,0|0,0,2]=4 777 B12R1.25 COCCN1C=CC=C(C1=O)Br MCULE-9408535631 [0,1,0,1,0,0|2,0,0]=4 778 B12R1.25 COCCN1C=CC=C(C1=O)N MCULE-5248773875 [0,1,0,1,0,0|2,0,0]=4 779 B12R1.27 CC(CO)CCC1=CC=CC=C1 MCULE-6469270838 [0,1,0,1,0,0|2,0,0]=4 780 B12R1.27 CCC(=O)CCC1=CC=CC=C1 MCULE-8657578743 [0,1,0,1,0,0|1,0,1]=4 781 B12R1.27 CCC(C)NCC1=NC=CC=C1 MCULE-6053871210 [0,1,0,1,0,0|2,0,0]=4 782 B12R1.27 CCC(C)NCC1=NC=CC=C1 MCULE-7061534280 [0,1,0,1,0,0|2,0,0]=4 783 B12R1.27 CCC(C)NCC1=NC=CC=C1 MCULE-8706090574 [0,1,0,1,0,0|2,0,0]=4 784 B12R1.27 CCC(C)SCC1=CC=CC=C1 MCULE-9859345744 [0,1,0,1,0,0|2,0,0]=4 785 B12R1.27 CCC(N)CCC1=CC=CC=C1 MCULE-2546669799 [0,1,0,1,0,0|1,0,0]=3 786 B12R1.27 CCC(N)CNC1=CC=CC=C1 MCULE-5095589807 [0,1,0,1,0,0|2,0,0]=4 787 B12R1.27 CCC(N)CSC1=CC=CC=C1 MCULE-9383829075 [0,1,0,1,0,0|2,0,0]=4 788 B12R1.27 CCC(O)CCC1=CN=CC=C1 MCULE-1533382502 [0,1,0,1,0,0|2,0,0]=4 789 B12R1.27 NC(CO)CCC1=CC=CC=C1 MCULE-6673850897 [0,1,0,1,0,0|2,0,0]=4 790 B12R1.27 NCC(O)CCC1=CC=CC=C1 MCULE-1179789034 [0,1,0,1,0,0|2,0,0]=4 791 B12R1.27 N[C@@H](CO)CCC1=CC=CC=C1 MCULE-1937001414 [0,1,0,1,0,0|2,0,0]=4 792 B12R1.27 N[C@@H](CO)CCC1=CC=CC=C1 MCULE-1994503014 [0,1,0,1,0,0|2,0,0]=4 793 B12R1.27 N[C@H](CO)CCC1=CC=CC=C1 MCULE-3457504038 [0,1,0,1,0,0|2,0,0]=4 794 B12R1.27 N[C@H](CO)CCC1=CC=CC=C1 MCULE-9691986906 [0,1,0,1,0,0|2,0,0]=4 795 B12R1.27 O=CC(=COC1CCCCC1)Br MCULE-6225560556 [0,1,0,1,0,0|1,0,1]=4 796 B12R1.371 CCC(O)CC1=C(C=CC=C1)Br MCULE-7104310440 [0,1,0,1,0,0|1,0,1]=4 797 B12R1.371 CCC(O)CC1=CC=CC=C1Cl MCULE-4431931236 [0,1,0,1,0,0|1,0,1]=4 798 B12R1.371 CCC(O)CC1=CC=CC=C1F MCULE-9277339115 [0,1,0,1,0,0|1,0,1]=4 799 B12R1.371 NCC(O)CN1C=CC=CC1=O MCULE-4942322011 [0,1,0,1,0,0|2,0,0]=4 800 B12R1.371 NCC(O)CN1C=CC=CC1=O MCULE-7125012827 [0,1,0,1,0,0|2,0,0]=4 801 B12R1.382 CCCOC1=CC=CC(=C1)C=O MCULE-8408070829 [0,1,0,1,0,0|1,0,1]=4 802 B12R1.382 CCCSC1=CC=CC(=C1)C=O MCULE-8928997394 [0,1,0,1,0,0|1,0,1]=4 803 B12R1.455 COCCOC1=CC=C(O1)C=O MCULE-8006045530 [0,1,0,1,0,0|2,0,0]=4 804 B12R1.30 CC(CCCO)C1=CC=CC=C1 MCULE-4761908756 [0,1,0,1,0,0|2,0,0]=4 805 B12R1.30 CCCCC(=O)C1=CC=CC=C1 MCULE-2120491215 [0,1,0,1,0,0|1,0,1]=4 806 B12R1.30 CCCCC(=O)C1=NC=CC=C1 MCULE-8455541974 [0,1,0,1,0,0|1,0,1]=4 807 B12R1.30 CCCCC(N)C1=CC=CC=C1 MCULE-2373492691 [0,1,0,1,0,0|1,0,0]=3 808 B12R1.30 CCCCC(N)C1=CC=CN=C1 MCULE-8551029070 [0,1,0,1,0,0|2,0,0]=4 809 B12R1.30 CCCCC(N)C1=CC=NC=C1 MCULE-2229233305 [0,1,0,1,0,0|2,0,0]=4 810 B12R1.30 CCCCC(N)C1=CC=NC=C1 MCULE-4637510877 [0,1,0,1,0,0|2,0,0]=4 811 B12R1.30 CCCCC(N)C1=CC=NC=C1 MCULE-9107912672 [0,1,0,1,0,0|2,0,0]=4 812 B12R1.30 CCCCC(N)C1=NC=CC=C1 MCULE-3125831760 [0,1,0,1,0,0|1,0,0]=3 813 B12R1.30 CCCCC(O)C1=CC=CC=C1 MCULE-2566719464 [0,1,0,1,0,0|1,0,0]=3 814 B12R1.30 CCCCN(N)C1=CC=CC=C1 MCULE-9912615645 [0,1,0,1,0,0|2,0,0]=4 815 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 MCULE-6404127981 [0,1,0,1,0,0|1,0,0]=3 816 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 MCULE-9817190525 [0,1,0,1,0,0|1,0,0]=3 817 B12R1.30 CCCC[C@@H](N)C1=CC=CN=C1 MCULE-6003806869 [0,1,0,1,0,0|2,0,0]=4 818 B12R1.30 CCCC[C@@H](N)C1=CC=CN=C1 MCULE-8100719930 [0,1,0,1,0,0|2,0,0]=4 819 B12R1.30 CCCC[C@@H](N)C1=CC=NC=C1 MCULE-2108246400 [0,1,0,1,0,0|2,0,0]=4 820 B12R1.30 CCCC[C@@H](N)C1=CC=NC=C1 MCULE-3135257400 [0,1,0,1,0,0|2,0,0]=4 821 B12R1.30 CCCC[C@@H](N)C1=NC=CC=C1 MCULE-5388269492 [0,1,0,1,0,0|1,0,0]=3 822 B12R1.30 CCCC[C@@H](N)C1=NC=CC=C1 MCULE-7168523915 [0,1,0,1,0,0|1,0,0]=3 823 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 MCULE-4372639128 [0,1,0,1,0,0|1,0,0]=3 824 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 MCULE-6835497445 [0,1,0,1,0,0|1,0,0]=3 825 B12R1.30 CCCC[C@H](N)C1=CC=CN=C1 MCULE-4373665160 [0,1,0,1,0,0|2,0,0]=4 826 B12R1.30 CCCC[C@H](N)C1=CC=CN=C1 MCULE-9793675265 [0,1,0,1,0,0|2,0,0]=4 827 B12R1.30 CCCC[C@H](N)C1=CC=NC=C1 MCULE-1711340702 [0,1,0,1,0,0|2,0,0]=4 828 B12R1.30 CCCC[C@H](N)C1=CC=NC=C1 MCULE-4551298866 [0,1,0,1,0,0|2,0,0]=4 829 B12R1.30 CCCC[C@H](N)C1=NC=CC=C1 MCULE-3598512634 [0,1,0,1,0,0|1,0,0]=3 830 B12R1.30 CCCC[C@H](N)C1=NC=CC=C1 MCULE-3862138326 [0,1,0,1,0,0|1,0,0]=3 831 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 MCULE-4574834253 [0,1,0,1,0,0|1,0,0]=3 832 B12R1.30 CCCNC(C)C1=CC=CC=C1 MCULE-6320883219 [0,1,0,1,0,0|2,0,0]=4 833 B12R1.30 CCCNC(C)C1=CC=CC=C1 MCULE-9965892271 [0,1,0,1,0,0|2,0,0]=4 834 B12R1.30 CCNCC(C)C1=CC=CC=C1 MCULE-5244062353 [0,1,0,1,0,0|2,0,0]=4 835 B12R1.30 CCNCC(C)C1=CC=CC=C1 MCULE-7840647979 [0,1,0,1,0,0|2,0,0]=4 836 B12R1.30 CCNCC(N)C1=CC=CC=C1 MCULE-6855324985 [0,1,0,1,0,0|2,0,0]=4 837 B12R1.30 CCOCC(N)C1=CC=CC=C1 MCULE-8890079689 [0,1,0,1,0,0|2,0,0]=4 838 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 MCULE-4943914532 [0,1,0,1,0,0|2,0,0]=4 839 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 MCULE-8458106245 [0,1,0,1,0,0|2,0,0]=4 840 B12R1.30 CNCCC(O)C1=CC=CC=C1 MCULE-8194152449 [0,1,0,1,0,0|2,0,0]=4 841 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 MCULE-5426732231 [0,1,0,1,0,0|2,0,0]=4 842 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 MCULE-5737978721 [0,1,0,1,0,0|2,0,0]=4 843 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 MCULE-8288192759 [0,1,0,1,0,0|2,0,0]=4 844 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 MCULE-8335922760 [0,1,0,1,0,0|2,0,0]=4 845 B12R1.30 COCCC(Cl)C1=CC=CC=C1 MCULE-9330621938 [0,1,0,1,0,0|2,0,0]=4 846 B12R1.30 COCCC(O)C1=CC=CC=C1 MCULE-5481384594 [0,1,0,1,0,0|2,0,0]=4 847 B12R1.30 NC(CCCO)C1=CC=CC=C1 MCULE-2286567849 [0,1,0,1,0,0|2,0,0]=4 848 B12R1.30 NC(CCCO)C1=CC=CC=C1 MCULE-6969734818 [0,1,0,1,0,0|2,0,0]=4 849 B12R1.30 NC(CCCO)C1=CC=CC=C1 MCULE-7976235281 [0,1,0,1,0,0|2,0,0]=4 850 B12R1.30 NC(CCCO)C1=CC=CC=C1 MCULE-8290632214 [0,1,0,1,0,0|2,0,0]=4 851 B12R1.30 NCCCC(N)C1=CC=CC=N1 MCULE-5139825916 [0,1,0,1,0,0|2,0,0]=4 852 B12R1.30 NCCC[C@@H](N)C1=CC=CC=C1 MCULE-4796912358 [0,1,0,1,0,0|2,0,0]=4 853 B12R1.30 NCCC[C@@H](N)C1=CC=CC=C1 MCULE-6083765128 [0,1,0,1,0,0|2,0,0]=4 854 B12R1.30 NCCC[C@@H](N)C1=NC=CC=C1 MCULE-6588143987 [0,1,0,1,0,0|2,0,0]=4 855 B12R1.30 NCCC[C@@H](N)C1=NC=CC=C1 MCULE-6762588423 [0,1,0,1,0,0|2,0,0]=4 856 B12R1.30 NCCC[C@H](N)C1=CC=CC=C1 MCULE-2712407348 [0,1,0,1,0,0|2,0,0]=4 857 B12R1.30 NCCC[C@H](N)C1=CC=CC=C1 MCULE-7977410416 [0,1,0,1,0,0|2,0,0]=4 858 B12R1.30 NCCC[C@H](N)C1=NC=CC=C1 MCULE-3486406144 [0,1,0,1,0,0|2,0,0]=4 859 B12R1.30 NCCC[C@H](N)C1=NC=CC=C1 MCULE-8694170155 [0,1,0,1,0,0|2,0,0]=4 860 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 MCULE-3829305528 [0,1,0,1,0,0|2,0,0]=4 861 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 MCULE-4611516979 [0,1,0,1,0,0|2,0,0]=4 862 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 MCULE-6206308547 [0,1,0,1,0,0|2,0,0]=4 863 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 MCULE-9907516077 [0,1,0,1,0,0|2,0,0]=4 864 B12R1.30 N[C@@H](CCCO)C1=NC=CC=C1 MCULE-3363923234 [0,1,0,1,0,0|2,0,0]=4 865 B12R1.30 N[C@@H](CCCO)C1=NC=CC=C1 MCULE-4149258030 [0,1,0,1,0,0|2,0,0]=4 866 B12R1.30 N[C@H](CCCO)C1=CC=CC=C1 MCULE-4115524376 [0,1,0,1,0,0|2,0,0]=4 867 B12R1.30 N[C@H](CCCO)C1=CC=CC=C1 MCULE-9349686383 [0,1,0,1,0,0|2,0,0]=4 868 B12R1.30 N[C@H](CCCO)C1=NC=CC=C1 MCULE-1588106865 [0,1,0,1,0,0|2,0,0]=4 869 B12R1.30 N[C@H](CCCO)C1=NC=CC=C1 MCULE-2500728386 [0,1,0,1,0,0|2,0,0]=4 870 B12R1.30 OCCCC(O)C1=CC=CC=C1 MCULE-6644785905 [0,1,0,1,0,0|2,0,0]=4 871 B12R1.374 CCCCC1=C(C=CC(=C1)O)O MCULE-5361667287 [0,1,0,1,0,0|0,0,2]=4 872 B12R1.374 CCCCC1=CC(=CC=C1F)N MCULE-7175337463 [0,1,0,1,0,0|1,0,1]=4 873 B12R1.374 CCCCC1=CC(=CC=C1O)C MCULE-2329173129 [0,1,0,1,0,0|0,0,2]=4 874 B12R1.374 COCCN1C=C(C=CC1=O)Br MCULE-7396443229 [0,1,0,1,0,0|2,0,0]=4 875 B12R1.374 COCCN1C=C(C=CC1=O)N MCULE-8729474099 [0,1,0,1,0,0|2,0,0]=4 876 B12R1.374 NCCCN1C=C(C=CC1=O)Cl MCULE-7619170255 [0,1,0,1,0,0|2,0,0]=4 877 B12R1.374 NCCCN1C=C(C=CC1=O)Cl MCULE-9869185018 [0,1,0,1,0,0|2,0,0]=4 878 B12R1.374 O=C1C=CC(=CN1CCCO)Br MCULE-6384984416 [0,1,0,1,0,0|2,0,0]=4 879 B12R1.460 CCCC[C@@H](N)C1=C(C=CS1)Br MCULE-1192589748 [0,1,0,1,0,0|2,0,0]=4 880 B12R1.460 CCCC[C@@H](N)C1=C(C=CS1)Br MCULE-2013921616 [0,1,0,1,0,0|2,0,0]=4 881 B12R1.460 CCCC[C@@H](N)C1=C(C=CS1)C MCULE-1553918215 [0,1,0,1,0,0|2,0,0]=4 882 B12R1.460 CCCC[C@@H](N)C1=C(C=CS1)C MCULE-5638020440 [0,1,0,1,0,0|2,0,0]=4 883 B12R1.460 CCCC[C@@H](N)C1=C(C=CS1)Cl MCULE-2165826240 [0,1,0,1,0,0|2,0,0]=4 884 B12R1.460 CCCC[C@@H](N)C1=C(C=CS1)Cl MCULE-7748364777 [0,1,0,1,0,0|2,0,0]=4 885 B12R1.460 CCCC[C@@H](N)C1=CC=CN1C MCULE-2333100780 [0,1,0,1,0,0|2,0,0]=4 886 B12R1.460 CCCC[C@@H](N)C1=CC=CN1C MCULE-4136853282 [0,1,0,1,0,0|2,0,0]=4 887 B12R1.460 CCCC[C@H](N)C1=C(C=CS1)Br MCULE-2038850874 [0,1,0,1,0,0|2,0,0]=4 888 B12R1.460 CCCC[C@H](N)C1=C(C=CS1)Br MCULE-8281873109 [0,1,0,1,0,0|2,0,0]=4 889 B12R1.460 CCCC[C@H](N)C1=C(C=CS1)C MCULE-5781624676 [0,1,0,1,0,0|2,0,0]=4 890 B12R1.460 CCCC[C@H](N)C1=C(C=CS1)C MCULE-7617669108 [0,1,0,1,0,0|2,0,0]=4 891 B12R1.460 CCCC[C@H](N)C1=C(C=CS1)Cl MCULE-2429557260 [0,1,0,1,0,0|2,0,0]=4 892 B12R1.460 CCCC[C@H](N)C1=C(C=CS1)Cl MCULE-6496793066 [0,1,0,1,0,0|2,0,0]=4 893 B12R1.460 CCCC[C@H](N)C1=CC=CN1C MCULE-1659359836 [0,1,0,1,0,0|2,0,0]=4 894 B12R1.460 CCCC[C@H](N)C1=CC=CN1C MCULE-5897016385 [0,1,0,1,0,0|2,0,0]=4 895 B12R1.567 CCCCCC1=C(CCC1=O)C MCULE-6930955162 [0,1,0,1,0,0|0,0,2]=4 896 B12R1.567 CCCCCN1C(=O)C=CC1=O MCULE-3133283629 [0,1,0,1,0,0|1,0,0]=3 897 B12R1.567 NCCCCN1C(=O)C=CC1=O MCULE-2355469708 [0,1,0,1,0,0|2,0,0]=4 898 B12R1.567 NCCCCN1C(=O)C=CC1=O MCULE-4518399113 [0,1,0,1,0,0|2,0,0]=4 899 B12R1.567 NCCCCN1C(=O)C=CC1=O MCULE-8866337235 [0,1,0,1,0,0|2,0,0]=4 900 B12R1.35 CCCCCC(=O)C1=CC=CO1 MCULE-9694734865 [0,1,0,1,0,0|0,0,1]=3 901 B12R1.35 CCCCCC(=O)C1=CC=CS1 MCULE-6469020340 [0,1,0,1,0,0|0,1,0]=3 902 B12R1.35 CCCCCC(=O)C1=NC=CO1 MCULE-7665437959 [0,1,0,1,0,0|1,0,1]=4 903 B12R1.35 CCCCC[C@@H](N)C1=CC=CN1 MCULE-5084500437 [0,1,0,1,0,0|1,0,1]=4 904 B12R1.35 CCCCC[C@@H](N)C1=CC=CN1 MCULE-9989674876 [0,1,0,1,0,0|1,0,1]=4 905 B12R1.35 CCCCC[C@@H](N)C1=CC=CO1 MCULE-3897190513 [0,1,0,1,0,0|0,0,2]=4 906 B12R1.35 CCCCC[C@@H](N)C1=CC=CO1 MCULE-8397581315 [0,1,0,1,0,0|0,0,2]=4 907 B12R1.35 CCCCC[C@@H](N)C1=CC=CS1 MCULE-6939860108 [0,1,0,1,0,0|0,1,1]=4 908 B12R1.35 CCCCC[C@@H](N)C1=CC=CS1 MCULE-7718306647 [0,1,0,1,0,0|0,1,1]=4 909 B12R1.35 CCCCC[C@H](N)C1=CC=CN1 MCULE-2325635744 [0,1,0,1,0,0|1,0,1]=4 910 B12R1.35 CCCCC[C@H](N)C1=CC=CN1 MCULE-8205164858 [0,1,0,1,0,0|1,0,1]=4 911 B12R1.35 CCCCC[C@H](N)C1=CC=CO1 MCULE-5124246463 [0,1,0,1,0,0|0,0,2]=4 912 B12R1.35 CCCCC[C@H](N)C1=CC=CO1 MCULE-9369734470 [0,1,0,1,0,0|0,0,2]=4 913 B12R1.35 CCCCC[C@H](N)C1=CC=CS1 MCULE-5589423144 [0,1,0,1,0,0|0,1,1]=4 914 B12R1.35 CCCCC[C@H](N)C1=CC=CS1 MCULE-9380878341 [0,1,0,1,0,0|0,1,1]=4 915 B12R1.35 CCCCNC(=O)C1=CC=CS1 MCULE-2126054791 [0,1,0,1,0,0|1,1,0]=4 916 B12R1.35 CCOCCC(=O)C1=CC=CS1 MCULE-8803380430 [0,1,0,1,0,0|1,1,0]=4 917 B12R1.35 O=C(CCCCBr)C1=CC=CS1 MCULE-1274419404 [0,1,0,1,0,0|1,1,0]=4 918 B12R1.35 O=C(CCCCCl)C1=CC=CS1 MCULE-2083685438 [0,1,0,1,0,0|1,1,0]=4 919 B12R1.268 CCCC1=CC(=CC=C1C=O)F MCULE-9738389185 [0,1,0,1,0,0|0,0,2]=4 920 B12R1.1631 CC1=CC=CC(=O)N1CCCN MCULE-1769287891 [0,1,0,1,0,0|2,0,0]=4 921 B12R1.1631 CC1=CC=CC(=O)N1CCCN MCULE-8109198707 [0,1,0,1,0,0|2,0,0]=4 922 B12R1.1631 CC1=CC=CC(=O)N1CCCN MCULE-9120123608 [0,1,0,1,0,0|2,0,0]=4 923 B12R1.1631 CCCCN1C(=O)C=CC=C1Br MCULE-5889237165 [0,1,0,1,0,0|1,0,0]=3 924 B12R1.1631 COCCN1C(=O)C=CC=C1Br MCULE-5066177976 [0,1,0,1,0,0|2,0,0]=4 925 B12R1.75 CC(C)CC1=C(C=CC=C1)C=O MCULE-5851902292 [0,1,0,1,0,0|0,0,2]=4 926 B12R1.81 CC(C)CCN1C=CC=C1C=O MCULE-9012598404 [0,1,0,1,0,0|1,0,0]=3 927 B12R1.125 CC(N)CCC1=C(C=CC=C1)Cl MCULE-9028543603 [0,1,0,1,0,0|1,0,1]=4 928 B12R1.125 CC(N)CCC1=CC=CC=C1Cl MCULE-4118996892 [0,1,0,1,0,0|1,0,1]=4 929 B12R1.125 CC(N)CCC1=CC=CC=C1F MCULE-8234727812 [0,1,0,1,0,0|1,0,1]=4 930 B12R1.125 CC(O)CCC1=CC=CC=C1F MCULE-1346776751 [0,1,0,1,0,0|1,0,1]=4 931 B12R1.125 CC1=[N+](C=CC=C1)CCC(C)C MCULE-7214450021 [0,1,0,1,0,0|2,0,0]=4 932 B12R1.125 CC1=[N+](C=CC=C1)CCC(C)C MCULE-9173250540 [0,1,0,1,0,0|2,0,0]=4 933 B12R1.252 C=C(C)CCCC1=CC=CC=C1 MCULE-1334491812 [0,1,0,1,0,0|1,0,1]=4 934 B12R1.252 CC(=O)CCC=C1CCCCC1 MCULE-1076445196 [0,1,0,1,0,0|0,0,2]=4 935 B12R1.252 CC(=O)CCCC1=CC=CC=C1 MCULE-2310771684 [0,1,0,1,0,0|1,0,1]=4 936 B12R1.252 CC(=O)CCCC1=CC=CC=N1 MCULE-1269205900 [0,1,0,1,0,0|1,0,1]=4 937 B12R1.252 CC(=O)CCCC1=CC=CC=N1 MCULE-8865358008 [0,1,0,1,0,0|1,0,1]=4 938 B12R1.252 CC(=O)OCC=C1CCCCC1 MCULE-5438727226 [0,1,0,1,0,0|1,0,1]=4 939 B12R1.252 CC(Br)CCSC1=CC=CC=C1 MCULE-3826958707 [0,1,0,1,0,0|2,0,0]=4 940 B12R1.252 CC(Br)COCC1=CC=CC=C1 MCULE-3791182896 [0,1,0,1,0,0|2,0,0]=4 941 B12R1.252 CC(C)CCCC1=CC=CC=N1 MCULE-2458380546 [0,1,0,1,0,0|1,0,0]=3 942 B12R1.252 CC(C)CNCC1=CC=CC=C1 MCULE-4058217424 [0,1,0,1,0,0|2,0,0]=4 943 B12R1.252 CC(C)CNCC1=CC=CC=C1 MCULE-5935329785 [0,1,0,1,0,0|2,0,0]=4 944 B12R1.252 CC(C)CNCC1=NC=CC=C1 MCULE-6298431745 [0,1,0,1,0,0|2,0,0]=4 945 B12R1.252 CC(C)CNCC1=NC=CC=C1 MCULE-6994850417 [0,1,0,1,0,0|2,0,0]=4 946 B12R1.252 CC(C)CNCC1=NC=CC=C1 MCULE-8033261201 [0,1,0,1,0,0|2,0,0]=4 947 B12R1.252 CC(C)NCCC1=CC=CC=C1 MCULE-7465117633 [0,1,0,1,0,0|2,0,0]=4 948 B12R1.252 CC(C)NCCC1=CC=CC=C1 MCULE-8783108942 [0,1,0,1,0,0|2,0,0]=4 949 B12R1.252 CC(C)NCCC1=NC=CC=C1 MCULE-9688369117 [0,1,0,1,0,0|2,0,0]=4 950 B12R1.252 CC(C)OCCC1=NC=CC=C1 MCULE-3702350167 [0,1,0,1,0,0|2,0,0]=4 951 B12R1.252 CC(Cl)CCCC1=CC=CC=C1 MCULE-2311198070 [0,1,0,1,0,0|1,0,0]=3 952 B12R1.252 CC(I)CCCC1=CC=CC=C1 MCULE-1141976667 [0,1,0,1,0,0|1,0,0]=3 953 B12R1.252 CC(N)CCCC1=CC=CC=C1 MCULE-4777597407 [0,1,0,1,0,0|1,0,0]=3 954 B12R1.252 CC(N)CCCC1=CN=CC=C1 MCULE-2977526615 [0,1,0,1,0,0|2,0,0]=4 955 B12R1.252 CC(N)COCC1=CC=CC=C1 MCULE-8857896846 [0,1,0,1,0,0|2,0,0]=4 956 B12R1.252 CC(N)CSCC1=CC=CC=C1 MCULE-4230471758 [0,1,0,1,0,0|2,0,0]=4 957 B12R1.252 CC(O)CCCC1=CC=NC=C1 MCULE-8758400827 [0,1,0,1,0,0|2,0,0]=4 958 B12R1.252 CC(O)CCCC1=CN=CC=C1 MCULE-7661324121 [0,1,0,1,0,0|2,0,0]=4 959 B12R1.252 CC(O)CNCC1=CC=CC=C1 MCULE-1474712042 [0,1,0,1,0,0|2,0,0]=4 960 B12R1.252 CC(O)COCC1=CC=CC=C1 MCULE-4915425239 [0,1,0,1,0,0|2,0,0]=4 961 B12R1.252 CN(C)CCCC1=CC=CC=C1 MCULE-2948484267 [0,1,0,1,0,0|2,0,0]=4 962 B12R1.252 C[C@@H](Br)COCC1=CC=CC=C1 MCULE-2416893148 [0,1,0,1,0,0|2,0,0]=4 963 B12R1.252 C[C@@H](N)CCCC1=CN=CC=C1 MCULE-9694612065 [0,1,0,1,0,0|2,0,0]=4 964 B12R1.252 C[C@@H](N)COCC1=CC=CC=C1 MCULE-4297246738 [0,1,0,1,0,0|2,0,0]=4 965 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 MCULE-2854453727 [0,1,0,1,0,0|2,0,0]=4 966 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 MCULE-3498599598 [0,1,0,1,0,0|2,0,0]=4 967 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 MCULE-9422203676 [0,1,0,1,0,0|2,0,0]=4 968 B12R1.252 C[C@H](N)CCCC1=CN=CC=C1 MCULE-9429428470 [0,1,0,1,0,0|2,0,0]=4 969 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 MCULE-1940065096 [0,1,0,1,0,0|2,0,0]=4 970 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 MCULE-2306437084 [0,1,0,1,0,0|2,0,0]=4 971 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 MCULE-7109663495 [0,1,0,1,0,0|2,0,0]=4 972 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 MCULE-7489065076 [0,1,0,1,0,0|2,0,0]=4 973 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-2574027587 [0,1,0,1,0,0|1,0,1]=4 974 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-7976173160 [0,1,0,1,0,0|1,0,1]=4 975 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-2313554291 [0,1,0,1,0,0|1,0,1]=4 976 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-5619896364 [0,1,0,1,0,0|1,0,1]=4 977 B12R1.255 CC(N)CCCCC1=CC=CO1 MCULE-7374444199 [0,1,0,1,0,0|0,0,2]=4 978 B12R1.255 CC(N)CCCCC1=CC=CO1 MCULE-9170275576 [0,1,0,1,0,0|0,0,2]=4 979 B12R1.283 CCCC1=C(C=CC=C1)C(=O)O MCULE-8469879199 [0,1,0,1,0,0|0,0,2]=4 980 B12R1.386 CCCCC1=C(C=CS1)C(=O)O MCULE-3567761110 [0,1,0,1,0,0|1,0,1]=4 981 B12R1.386 CCCCN1C=NC=C1C(=O)O MCULE-1817390201 [0,1,0,1,0,0|2,0,0]=4 982 B12R1.386 CCCCN1N=CC=C1C(=O)N MCULE-1475155025 [0,1,0,1,0,0|2,0,0]=4 983 B12R1.386 CCCCN1N=CC=C1C(=O)O MCULE-2649147219 [0,1,0,1,0,0|2,0,0]=4 984 B12R1.1343 CC(=O)C=CN1CCCCCC1 MCULE-1379549021 [0,1,0,1,0,0|1,0,1]=4 985 B12R2.2 C1=CC=C(C=C1)C2CCCC2 MCULE-3859964801 [0,0,0,2,0,0|1,0,0]=3 986 B12R2.2 C1=CC=C(C=C1)C2CCCN2 MCULE-2361925761 [0,0,0,2,0,0|2,0,0]=4 987 B12R2.2 C1=CC=C(C=C1)C2CCCN2 MCULE-3856743286 [0,0,0,2,0,0|2,0,0]=4 988 B12R2.2 C1=CC=C(C=C1)C2CCCN2 MCULE-4672089817 [0,0,0,2,0,0|2,0,0]=4 989 B12R2.2 C1=CC=C(C=C1)C2CCCN2 MCULE-5369073167 [0,0,0,2,0,0|2,0,0]=4 990 B12R2.2 C1=CC=C(C=C1)C2CCCO2 MCULE-8993663823 [0,0,0,2,0,0|2,0,0]=4 991 B12R2.2 C1=CC=C(C=C1)C2CCNC2 MCULE-2519721275 [0,0,0,2,0,0|2,0,0]=4 992 B12R2.2 C1=CC=C(C=C1)C2CCNC2 MCULE-4712756468 [0,0,0,2,0,0|2,0,0]=4 993 B12R2.2 C1=CC=C(C=C1)C2CCNC2 MCULE-5600189216 [0,0,0,2,0,0|2,0,0]=4 994 B12R2.2 C1=CC=C(C=C1)C2CCNC2 MCULE-8711069316 [0,0,0,2,0,0|2,0,0]=4 995 B12R2.2 C1=CC=C(C=C1)C2CCOC2 MCULE-4639565325 [0,0,0,2,0,0|2,0,0]=4 996 B12R2.2 C1=CC=C(C=C1)C2CC[NH2+]C2 MCULE-2313540241 [0,0,0,2,0,0|2,0,0]=4 997 B12R2.2 C1=CC=C(C=C1)N2CCCC2 MCULE-1511340954 [0,0,0,2,0,0|2,0,0]=4 998 B12R2.2 C1=CC=C(C=C1)[C@@H]2CCCN2 MCULE-4803202888 [0,0,0,2,0,0|2,0,0]=4 999 B12R2.2 C1=CC=C(C=C1)[C@@H]2CCCN2 MCULE-5321828599 [0,0,0,2,0,0|2,0,0]=4 1000 B12R2.2 C1=CC=C(C=C1)[C@@H]2CCCN2 MCULE-6229933811 [0,0,0,2,0,0|2,0,0]=4 1001 B12R2.2 C1=CC=C(C=C1)[C@@H]2CCCN2 MCULE-8564348932 [0,0,0,2,0,0|2,0,0]=4 1002 B12R2.2 C1=CC=C(C=C1)[C@@H]2CCCO2 MCULE-2715172764 [0,0,0,2,0,0|2,0,0]=4 1003 B12R2.2 C1=CC=C(C=C1)[C@@H]2CCNC2 MCULE-3836060093 [0,0,0,2,0,0|2,0,0]=4 1004 B12R2.2 C1=CC=C(C=C1)[C@@H]2CCNC2 MCULE-5463214718 [0,0,0,2,0,0|2,0,0]=4 1005 B12R2.2 C1=CC=C(C=C1)[C@@H]2CCNC2 MCULE-7372380908 [0,0,0,2,0,0|2,0,0]=4 1006 B12R2.2 C1=CC=C(C=C1)[C@@H]2CCNC2 MCULE-9505874348 [0,0,0,2,0,0|2,0,0]=4 1007 B12R2.2 C1=CC=C(C=C1)[C@H]2CCCN2 MCULE-1415367965 [0,0,0,2,0,0|2,0,0]=4 1008 B12R2.2 C1=CC=C(C=C1)[C@H]2CCCN2 MCULE-5080918126 [0,0,0,2,0,0|2,0,0]=4 1009 B12R2.2 C1=CC=C(C=C1)[C@H]2CCCN2 MCULE-5205051301 [0,0,0,2,0,0|2,0,0]=4 1010 B12R2.2 C1=CC=C(C=C1)[C@H]2CCCN2 MCULE-7833641754 [0,0,0,2,0,0|2,0,0]=4 1011 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 MCULE-1318705927 [0,0,0,2,0,0|2,0,0]=4 1012 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 MCULE-3295205628 [0,0,0,2,0,0|2,0,0]=4 1013 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 MCULE-3817969000 [0,0,0,2,0,0|2,0,0]=4 1014 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 MCULE-9211435086 [0,0,0,2,0,0|2,0,0]=4 1015 B12R2.2 C1=CC=C(C=C1)[S+]2CCCC2 MCULE-3594785923 [0,0,0,2,0,0|2,0,0]=4 1016 B12R2.2 C1=CC=C(C=C1)[S+]2CCCC2 MCULE-9231366793 [0,0,0,2,0,0|2,0,0]=4 1017 B12R2.2 C1=CC=C(N=C1)[C@@H]2CCCN2 MCULE-4407466131 [0,0,0,2,0,0|2,0,0]=4 1018 B12R2.2 C1=CC=C(N=C1)[C@@H]2CCCN2 MCULE-4877378437 [0,0,0,2,0,0|2,0,0]=4 1019 B12R2.2 C1=CC=C(N=C1)[C@H]2CCCN2 MCULE-6595089230 [0,0,0,2,0,0|2,0,0]=4 1020 B12R2.2 C1=CC=C(N=C1)[C@H]2CCCN2 MCULE-6705966467 [0,0,0,2,0,0|2,0,0]=4 1021 B12R2.2 C1=CN=C(C=C1)C2CCCN2 MCULE-1512067809 [0,0,0,2,0,0|2,0,0]=4 1022 B12R2.2 C1=CN=C(C=C1)C2CCCN2 MCULE-2360927671 [0,0,0,2,0,0|2,0,0]=4 1023 B12R2.2 C1=CN=C(C=C1)C2CCCN2 MCULE-9088963668 [0,0,0,2,0,0|2,0,0]=4 1024 B12R2.2 C1=CN=C(C=C1)C2CCNC2 MCULE-2662965290 [0,0,0,2,0,0|2,0,0]=4 1025 B12R2.2 C1=CN=C(C=C1)C2CCNC2 MCULE-6256137688 [0,0,0,2,0,0|2,0,0]=4 1026 B12R2.2 C1=CN=C(C=C1)C2CCNC2 MCULE-7529408320 [0,0,0,2,0,0|2,0,0]=4 1027 B12R2.2 C1=CN=C(C=C1)N2CCCC2 MCULE-9181504813 [0,0,0,2,0,0|2,0,0]=4 1028 B12R2.2 C1=CN=C(C=C1)[C@@H]2CCCN2 MCULE-2744229239 [0,0,0,2,0,0|2,0,0]=4 1029 B12R2.2 C1=CN=C(C=C1)[C@@H]2CCCN2 MCULE-5400823605 [0,0,0,2,0,0|2,0,0]=4 1030 B12R2.2 C1=CN=C(C=C1)[C@@H]2CCCN2 MCULE-5821888989 [0,0,0,2,0,0|2,0,0]=4 1031 B12R2.2 C1=CN=C(C=C1)[C@H]2CCCN2 MCULE-2251546384 [0,0,0,2,0,0|2,0,0]=4 1032 B12R2.2 C1=CN=C(C=C1)[C@H]2CCCN2 MCULE-5358326947 [0,0,0,2,0,0|2,0,0]=4 1033 B12R2.2 C1=CN=C(C=C1)[C@H]2CCCN2 MCULE-9932205901 [0,0,0,2,0,0|2,0,0]=4 1034 B12R2.2 C1=CNC(=C1)C2CCCCC2 MCULE-3187854004 [0,0,0,2,0,0|1,0,1]=4 1035 B12R2.2 C1=CSC(=C1)N2CCCCC2 MCULE-7035521525 [0,0,0,2,0,0|1,1,0]=4 1036 B12R2.229 O=C1CCCCC2=C1OC=C2 MCULE-9717011949 [0,0,0,2,0,0|1,0,1]=4 1037 B12R2.229 O=C1CCCCC2=CNC=C12 MCULE-5053196994 [0,0,0,2,0,0|1,0,1]=4 1038 B12R2.229 O=C1CCCCN2C1=CC=C2 MCULE-4148010777 [0,0,0,2,0,0|1,0,0]=3 1039 B12R2.229 O=C1CCCCN2C1=CC=N2 MCULE-5610829147 [0,0,0,2,0,0|2,0,0]=4 1040 B12R2.315 O=CC1=CC=CC2=C1CCC2 MCULE-3723039789 [0,0,0,2,0,0|0,0,2]=4 1041 B12R2.41 C1=CC2=C(C=C1)CCNCC2 MCULE-1587292648 [0,0,0,2,0,0|2,0,0]=4 1042 B12R2.41 C1=CC2=C(C=C1)CC[NH2+]CC2 MCULE-8566972102 [0,0,0,2,0,0|2,0,0]=4 1043 B12R2.41 C1=CC2=C(C=C1)CNCCC2 MCULE-2809792553 [0,0,0,2,0,0|2,0,0]=4 1044 B12R2.41 C1=CC2=C(C=C1)CNCCC2 MCULE-5522148577 [0,0,0,2,0,0|2,0,0]=4 1045 B12R2.41 C1=CC2=C(C=C1)NCCCC2 MCULE-1840336479 [0,0,0,2,0,0|1,0,1]=4 1046 B12R2.41 C1=CC2=C(C=C1)NCCCC2 MCULE-2107309840 [0,0,0,2,0,0|1,0,1]=4 1047 B12R2.41 C1=CC2=C(CCCCN2)N=C1 MCULE-3396991485 [0,0,0,2,0,0|2,0,0]=4 1048 B12R2.41 C1=CC2=C(N=C1)NCCCC2 MCULE-2677598883 [0,0,0,2,0,0|2,0,0]=4 1049 B12R2.41 C1=CC=C2CCCCCC2=C1 MCULE-3424859395 [0,0,0,2,0,0|1,0,0]=3 1050 B12R2.41 C1=CN=C2CCCCCC2=C1 MCULE-8238771462 [0,0,0,2,0,0|1,0,0]=3 1051 B12R2.41 C1=CN=C2CCNCCC2=C1 MCULE-4886501299 [0,0,0,2,0,0|2,0,0]=4 1052 B12R2.24 CC1CCC2=CC=CC=C2N1 MCULE-1415803584 [0,0,0,2,0,0|1,0,1]=4 1053 B12R2.24 C[C@H]1CCC2=C(N1)C=CC=C2 MCULE-2986768828 [0,0,0,2,0,0|1,0,1]=4 1054 B12R2.24 C[C@H]1CCC2=C(N1)C=CC=C2 MCULE-3418066122 [0,0,0,2,0,0|1,0,1]=4 1055 B12R2.24 O=C1C=C2CCCCC2CC1 MCULE-1925425954 [0,0,0,2,0,0|0,0,2]=4 1056 B12R2.32 CCC1CC2=CC=CC=C2N1 MCULE-4398073459 [0,0,0,2,0,0|1,0,1]=4 1057 B12R2.225 BrC1=CC=CC=C1CC2CC2 MCULE-8184376653 [0,0,0,2,0,0|1,0,1]=4 1058 B12R2.225 O=C1C=CC=NN1CC2CC2 MCULE-7067785359 [0,0,0,2,0,0|2,0,0]=4 1059 B12R2.225 OC1=CC=CC=C1CC2CC2 MCULE-4101762492 [0,0,0,2,0,0|0,0,2]=4 1060 B12R2.517 BrC1=CC=CC=C1C2CCC2 MCULE-2535476718 [0,0,0,2,0,0|1,0,1]=4 1061 B12R2.1081 BrC1=CC=CC2=C1CCCC2 MCULE-1665671686 [0,0,0,2,0,0|1,0,1]=4 1062 B12R2.1081 BrC1CCCC2=CC=CC=C12 MCULE-4189084407 [0,0,0,2,0,0|2,0,0]=4 1063 B12R2.1081 CC1=CC=CC2=C1CCCC2 MCULE-4619850064 [0,0,0,2,0,0|1,0,1]=4 1064 B12R2.1081 CC1CCCC2=C1C=CC=N2 MCULE-1506403434 [0,0,0,2,0,0|1,0,0]=3 1065 B12R2.1081 CC1CCNC2=C1C=CC=C2 MCULE-3675940279 [0,0,0,2,0,0|2,0,0]=4 1066 B12R2.1081 CC1CCNC2=C1C=CC=C2 MCULE-9457715981 [0,0,0,2,0,0|2,0,0]=4 1067 B12R2.1081 CC1CNCC2=C1C=CC=C2 MCULE-6284469184 [0,0,0,2,0,0|2,0,0]=4 1068 B12R2.1081 CC1CNCC2=C1C=CC=C2 MCULE-9061762680 [0,0,0,2,0,0|2,0,0]=4 1069 B12R2.1081 CC1NCCC2=C1C=CC=C2 MCULE-6769787019 [0,0,0,2,0,0|2,0,0]=4 1070 B12R2.1081 CC1NCCC2=C1C=CC=C2 MCULE-7812494540 [0,0,0,2,0,0|2,0,0]=4 1071 B12R2.1081 CN1CCCC2=C1C=CC=C2 MCULE-8488118270 [0,0,0,2,0,0|2,0,0]=4 1072 B12R2.1081 C[C@@H]1CNCC2=C1C=CC=C2 MCULE-2469825248 [0,0,0,2,0,0|2,0,0]=4 1073 B12R2.1081 C[C@@H]1CNCC2=C1C=CC=C2 MCULE-9593415201 [0,0,0,2,0,0|2,0,0]=4 1074 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 MCULE-1100295099 [0,0,0,2,0,0|2,0,0]=4 1075 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 MCULE-4596629023 [0,0,0,2,0,0|2,0,0]=4 1076 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 MCULE-5785779815 [0,0,0,2,0,0|2,0,0]=4 1077 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 MCULE-8718611828 [0,0,0,2,0,0|2,0,0]=4 1078 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 MCULE-2100356059 [0,0,0,2,0,0|2,0,0]=4 1079 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 MCULE-8898431862 [0,0,0,2,0,0|2,0,0]=4 1080 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 MCULE-4434370961 [0,0,0,2,0,0|2,0,0]=4 1081 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 MCULE-4488186331 [0,0,0,2,0,0|2,0,0]=4 1082 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 MCULE-4832979330 [0,0,0,2,0,0|2,0,0]=4 1083 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 MCULE-5190015843 [0,0,0,2,0,0|2,0,0]=4 1084 B12R2.1081 ClC1=CC=CC2=C1CCCC2 MCULE-8146255665 [0,0,0,2,0,0|1,0,1]=4 1085 B12R2.1081 ClC1CCCC2=C1C=CC=C2 MCULE-2821691548 [0,0,0,2,0,0|2,0,0]=4 1086 B12R2.1081 FC1=CC=CC2=C1CCCC2 MCULE-5578651642 [0,0,0,2,0,0|1,0,1]=4 1087 B12R2.1081 IC1=C2CCCCC2=CC=C1 MCULE-6134315429 [0,0,0,2,0,0|1,0,1]=4 1088 B12R2.1081 NC1=CC=CC2=C1CCCC2 MCULE-1932477092 [0,0,0,2,0,0|1,0,1]=4 1089 B12R2.1081 NC1CCCC2=C1C=CC=C2 MCULE-1373444810 [0,0,0,2,0,0|2,0,0]=4 1090 B12R2.1081 NC1CCCC2=C1C=CC=C2 MCULE-1432413466 [0,0,0,2,0,0|2,0,0]=4 1091 B12R2.1081 NC1CCCC2=C1C=CC=C2 MCULE-4202514744 [0,0,0,2,0,0|2,0,0]=4 1092 B12R2.1081 NC1CCCC2=C1C=CC=N2 MCULE-2972381949 [0,0,0,2,0,0|2,0,0]=4 1093 B12R2.1081 NC1CCCC2=C1C=CC=N2 MCULE-8202570856 [0,0,0,2,0,0|2,0,0]=4 1094 B12R2.1081 NC1CCCC2=CC=CC=C12 MCULE-1989500377 [0,0,0,2,0,0|2,0,0]=4 1095 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 MCULE-2619905193 [0,0,0,2,0,0|2,0,0]=4 1096 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 MCULE-6302305033 [0,0,0,2,0,0|2,0,0]=4 1097 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 MCULE-7720105858 [0,0,0,2,0,0|2,0,0]=4 1098 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 MCULE-9388980726 [0,0,0,2,0,0|2,0,0]=4 1099 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 MCULE-5370569981 [0,0,0,2,0,0|2,0,0]=4 1100 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 MCULE-5931482269 [0,0,0,2,0,0|2,0,0]=4 1101 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 MCULE-9969058037 [0,0,0,2,0,0|2,0,0]=4 1102 B12R2.1081 O=C1C=CC=C2N1CCCN2 MCULE-1934394520 [0,0,0,2,0,0|2,0,0]=4 1103 B12R2.1081 O=C1C=CC=C2N1CCCN2 MCULE-7036487303 [0,0,0,2,0,0|2,0,0]=4 1104 B12R2.1081 O=C1C=CC=C2N1CCNC2 MCULE-3294435087 [0,0,0,2,0,0|2,0,0]=4 1105 B12R2.1081 O=C1C=CC=C2N1CCNC2 MCULE-5983508351 [0,0,0,2,0,0|2,0,0]=4 1106 B12R2.1081 O=C1CCCC2=C1C=CC=C2 MCULE-2380271774 [0,0,0,2,0,0|0,0,2]=4 1107 B12R2.1081 O=C1CCCC2=C1C=CC=N2 MCULE-3669354189 [0,0,0,2,0,0|1,0,1]=4 1108 B12R2.1081 O=C1CCCC2=C1C=CC=N2 MCULE-8574932429 [0,0,0,2,0,0|1,0,1]=4 1109 B12R2.1081 O=C1CCCC2C1CC=CC2 MCULE-1897949638 [0,0,0,2,0,0|0,0,2]=4 1110 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 MCULE-3855733387 [0,0,0,2,0,0|1,0,1]=4 1111 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 MCULE-8078818427 [0,0,0,2,0,0|1,0,1]=4 1112 B12R2.1081 OC1=C2CCCCC2=CC=C1 MCULE-8152026704 [0,0,0,2,0,0|0,0,2]=4 1113 B12R2.1081 OC1CCCC2=C1C=CC=C2 MCULE-4218776127 [0,0,0,2,0,0|2,0,0]=4 1114 B12R2.1081 OC1CCCC2=C1C=CC=N2 MCULE-6770606014 [0,0,0,2,0,0|2,0,0]=4 1115 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 MCULE-1464317663 [0,0,0,2,0,0|2,0,0]=4 1116 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 MCULE-3803205018 [0,0,0,2,0,0|2,0,0]=4 1117 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 MCULE-8353022337 [0,0,0,2,0,0|2,0,0]=4 1118 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 MCULE-9782674794 [0,0,0,2,0,0|2,0,0]=4 1119 B12R2.1081 SC1CCCC2=C1C=CC=C2 MCULE-1451319759 [0,0,0,2,0,0|2,0,0]=4 1120 B12R2.1081 [C@H]1(CNCC2=C1C=CC=C2)C MCULE-6175814914 [0,0,0,2,0,0|2,0,0]=4 1121 B12R2.1081 [C@H]1(CNCC2=C1C=CC=C2)C MCULE-6324282265 [0,0,0,2,0,0|2,0,0]=4 1122 B12R2.1 BrCC1CCC2=C1C=CC=C2 MCULE-2151253640 [0,0,0,2,0,0|2,0,0]=4 1123 B12R2.1 CCC1NCC2=C1C=CC=C2 MCULE-2239427161 [0,0,0,2,0,0|2,0,0]=4 1124 B12R2.1 CCC1NCC2=C1C=CC=C2 MCULE-6033125468 [0,0,0,2,0,0|2,0,0]=4 1125 B12R2.1 CNC1CCC2=C1C=CC=C2 MCULE-3578833926 [0,0,0,2,0,0|2,0,0]=4 1126 B12R2.1 CNC1CCC2=C1C=CC=C2 MCULE-7571967850 [0,0,0,2,0,0|2,0,0]=4 1127 B12R2.1 NCC1CCC2=C1C=CC=C2 MCULE-1352925337 [0,0,0,2,0,0|2,0,0]=4 1128 B12R2.1 NCC1CCC2=C1C=CC=C2 MCULE-2574320897 [0,0,0,2,0,0|2,0,0]=4 1129 B12R2.1 O=CC1=CC=C2N1CCCC2 MCULE-8446232165 [0,0,0,2,0,0|1,0,0]=3 1130 B12R2.1 O=CC1=CN=C2N1CCCC2 MCULE-9434629053 [0,0,0,2,0,0|2,0,0]=4 1131 B12R2.1 O=CC1=CSC2=C1CCCC2 MCULE-8719275153 [0,0,0,2,0,0|1,0,1]=4 1132 B12R2.1 OCC1CCC2=C1C=CC=C2 MCULE-1167712487 [0,0,0,2,0,0|2,0,0]=4 1133 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 MCULE-8881011491 [0,0,0,2,0,0|0,0,2]=4 1134 B12R2.44 O=CC1=NC2=C(C=C1)CCC2 MCULE-6099269470 [0,0,0,2,0,0|1,0,1]=4 1135 B12R2.324 O=CC1=CC=NN1CC2CC2 MCULE-4489864228 [0,0,0,2,0,0|2,0,0]=4 1136 B12R2.2140 O=CC1=CC=NN1C2CCC2 MCULE-7547915166 [0,0,0,2,0,0|2,0,0]=4 1137 B12R2.1067 O=C1NC2C1CCCCC=C2 MCULE-1040768888 [0,0,0,2,0,0|1,0,1]=4 1138 B12R2.11 CC1CC1NC2=CC=CC=C2 MCULE-9522536561 [0,0,0,2,0,0|2,0,0]=4 1139 B12R2.11 ClC1CC1CC2=CC=CC=C2 MCULE-2536600064 [0,0,0,2,0,0|2,0,0]=4 1140 B12R2.11 NC1CC1CC2=CC=CC=C2 MCULE-3957984822 [0,0,0,2,0,0|2,0,0]=4 1141 B12R2.11 NC1CC1CC2=CC=CC=C2 MCULE-5347413104 [0,0,0,2,0,0|2,0,0]=4 1142 B12R2.23 CC1CNC1C2=CC=CC=C2 MCULE-5496886420 [0,0,0,2,0,0|2,0,0]=4 1143 B12R2.23 NC1CCC1C2=CC=CC=C2 MCULE-3679812255 [0,0,0,2,0,0|2,0,0]=4 1144 B12R2.23 NC1CCC1C2=CC=CC=C2 MCULE-7011803278 [0,0,0,2,0,0|2,0,0]=4 1145 B12R2.23 OC1CCC1C2=CC=CC=C2 MCULE-8508511591 [0,0,0,2,0,0|2,0,0]=4 1146 B12R2.27 BrC[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-6014524706 [0,0,0,2,0,0|2,0,0]=4 1147 B12R2.27 CCN1CC1C2=CC=CC=C2 MCULE-4347146852 [0,0,0,2,0,0|2,0,0]=4 1148 B12R2.27 CNC1CC1C2=CC=CC=C2 MCULE-6871088902 [0,0,0,2,0,0|2,0,0]=4 1149 B12R2.27 CNC1CC1C2=CC=CC=C2 MCULE-7985030155 [0,0,0,2,0,0|2,0,0]=4 1150 B12R2.27 NCC1CC1C2=CC=CC=C2 MCULE-8410311120 [0,0,0,2,0,0|2,0,0]=4 1151 B12R2.27 NCC1CC1C2=CC=CC=C2 MCULE-9460435111 [0,0,0,2,0,0|2,0,0]=4 1152 B12R2.27 OCC1CC1C2=CC=CC=C2 MCULE-3450226536 [0,0,0,2,0,0|2,0,0]=4 1153 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 MCULE-7968151841 [0,0,0,2,0,0|2,0,0]=4 1154 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 MCULE-9661037831 [0,0,0,2,0,0|2,0,0]=4 1155 B12R2.27 OC[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-1745082395 [0,0,0,2,0,0|2,0,0]=4 1156 B12R2.27 OC[C@@H]1C[C@H]1C2=CC=CC=C2 MCULE-2995038576 [0,0,0,2,0,0|2,0,0]=4 1157 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 MCULE-9524558320 [0,0,0,2,0,0|2,0,0]=4 1158 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 MCULE-2737062567 [0,0,0,2,0,0|2,0,0]=4 1159 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 MCULE-9561999908 [0,0,0,2,0,0|2,0,0]=4 1160 B12R2.2057 C1=CC=C(C=C1)NCC2CC2 MCULE-6853160951 [0,0,0,2,0,0|2,0,0]=4 1161 B12R2.2057 C1=CC=C(N=C1)OCC2CC2 MCULE-1675415362 [0,0,0,2,0,0|2,0,0]=4 1162 B12R2.2057 C1=CN=C(C=C1)CNC2CC2 MCULE-5469603631 [0,0,0,2,0,0|2,0,0]=4 1163 B12R2.2057 C1=CN=C(C=C1)CNC2CC2 MCULE-9533374599 [0,0,0,2,0,0|2,0,0]=4 1164 B12R2.2058 B1CC(C1)CC2=CC=CC=C2 MCULE-5153352703 [0,0,0,2,0,0|2,0,0]=4 1165 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 MCULE-3916265933 [0,0,0,2,0,0|2,0,0]=4 1166 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 MCULE-9873893232 [0,0,0,2,0,0|2,0,0]=4 1167 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 MCULE-8323882833 [0,0,0,2,0,0|2,0,0]=4 1168 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 MCULE-8861497270 [0,0,0,2,0,0|2,0,0]=4 1169 B12R2.2058 C1=CC=C(C=C1)NC2CCC2 MCULE-7117384626 [0,0,0,2,0,0|2,0,0]=4 1170 B12R2.2058 C1=CN=C(C=C1)CC2CNC2 MCULE-4261367824 [0,0,0,2,0,0|2,0,0]=4 1171 B12R2.2058 C1=CN=C(C=C1)CC2CNC2 MCULE-6626414746 [0,0,0,2,0,0|2,0,0]=4 1172 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 MCULE-4536479695 [0,0,0,2,0,0|0,0,2]=4 1173 B12R2.2048 O=CC1=C(C=CC=C1)C2CC2 MCULE-3154219838 [0,0,0,2,0,0|0,0,2]=4 1174 B12R2.2048 O=CC1=C(N=CC=C1)C2CC2 MCULE-1734097255 [0,0,0,2,0,0|1,0,1]=4