0 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.4 C#CCOCC(C)O MCULE-9051899250 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [0,0,0,0,0,0|1,1,1]=3 9 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,0,0,0,0,0|1,0,1]=2 20 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,0,0,0,0,0|1,1,1]=3 22 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [0,0,0,0,0,0|2,1,0]=3 28 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.4 CC(C)CCCCN MCULE-3591523204 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.4 CC(C)CNCCN MCULE-3059280265 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.4 CC(C)COCCBr MCULE-7232103778 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.4 CC(C)COCCN MCULE-9238454281 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.4 CC(C)COCCN MCULE-9987398976 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.4 CC(C)COCCO MCULE-2997702641 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.4 CC(C)CSCCN MCULE-6100886830 [0,0,0,0,0,0|2,1,1]=4 49 B7R0.4 CC(C)CSCCN MCULE-8368453687 [0,0,0,0,0,0|2,1,1]=4 50 B7R0.4 CC(Cl)COCCCl MCULE-5744839272 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.4 CC(N)CCCCN MCULE-3497267062 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.4 CC(N)CCCCN MCULE-9887360104 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.4 CC(O)CCCCO MCULE-3790969400 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.4 CC(O)CNCCN MCULE-3904214677 [0,0,0,0,0,0|2,0,1]=3 55 B7R0.4 CC(O)CNCCO MCULE-4873845500 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.4 CC(O)CSCCO MCULE-8885458360 [0,0,0,0,0,0|2,1,1]=4 57 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.4 CCCCCB(O)O MCULE-3441747739 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,0,0,0,0,0|3,0,0]=3 70 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,0,0,0,0,0|2,0,1]=3 72 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,0,0,0,0,0|2,0,1]=3 73 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [0,0,0,0,0,0|3,1,0]=4 74 B7R0.4 CCCCCC(C)O MCULE-2463855771 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [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)O MCULE-2305379902 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,0,0,0,0,0|4,0,0]=4 81 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,0,0,0,0,0|4,0,0]=4 82 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,0,0,0,0,0|4,0,0]=4 83 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,0,0,0,0,0|4,0,0]=4 84 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,0,0,0,0,0|4,0,0]=4 85 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,0,0,0,0,0|4,0,0]=4 87 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,0,0,0,0,0|3,0,0]=3 89 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,0,0,0,0,0|3,0,0]=3 90 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,0,0,0,0,0|2,0,0]=2 91 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,0,0,0,0,0|2,0,0]=2 92 B7R0.4 CCCNCC(C)O MCULE-8110237473 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,0,0,0,0,0|1,0,0]=1 94 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [0,0,0,0,0,0|2,1,0]=3 95 B7R0.4 CCCOCC(C)O MCULE-9214840563 [0,0,0,0,0,0|2,0,1]=3 96 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,0,0,0,0,0|2,1,0]=3 97 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,0,0,0,0,0|1,1,0]=2 98 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,0,0,0,0,0|4,0,0]=4 105 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,0,0,0,0,0|4,0,0]=4 106 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,0,0,0,0,0|3,0,0]=3 107 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.4 CN(C)CCCCN MCULE-4457571368 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.4 CN(C)CCCCN MCULE-9067239115 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,0,0,0,0,0|4,0,0]=4 112 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,0,0,0,0,0|3,0,0]=3 114 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,0,0,0,0,0|4,0,0]=4 118 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,0,0,0,0,0|3,0,0]=3 119 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,0,0,0,0,0|3,0,0]=3 121 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [0,0,0,0,0,0|4,0,0]=4 122 B7R0.4 FC(F)COCCBr MCULE-5816712150 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.4 FC(F)COCCCl MCULE-8007431622 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,0,0,0,0,0|1,0,2]=3 125 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [0,0,0,0,0,0|0,1,2]=3 126 B7R0.4 N#CCSCC(=O)[O-] MCULE-2024793830 [0,0,0,0,0,0|0,1,3]=4 127 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [0,0,0,0,0,0|4,0,0]=4 129 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [0,0,0,0,0,0|4,0,0]=4 130 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,0,0,0,0,0|3,0,0]=3 131 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,0,0,0,0,0|3,0,0]=3 132 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,0,0,0,0,0|3,0,0]=3 133 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,0,0,0,0,0|2,0,0]=2 134 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,0,0,0,0,0|2,0,0]=2 135 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,0,0,0,0,0|2,1,0]=3 136 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,0,0,0,0,0|4,0,0]=4 137 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,0,0,0,0,0|2,0,0]=2 138 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,0,0,0,0,0|2,0,0]=2 139 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,0,0,0,0,0|1,0,0]=1 140 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,0,0,0,0,0|1,0,0]=1 141 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,0,0,0,0,0|1,0,0]=1 142 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,0,0,0,0,0|1,0,0]=1 143 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,0,0,0,0,0|3,0,0]=3 144 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,0,0,0,0,0|3,0,0]=3 145 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,0,0,0,0,0|3,0,0]=3 146 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,0,0,0,0,0|1,0,0]=1 147 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,0,0,0,0,0|1,0,0]=1 148 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,0,0,0,0,0|0,0,0]=0 149 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,0,0,0,0,0|0,0,0]=0 150 B7R0.4 NCCOCC(F)F MCULE-1779124297 [0,0,0,0,0,0|2,0,1]=3 151 B7R0.4 NCCOCC(F)F MCULE-1970540798 [0,0,0,0,0,0|2,0,1]=3 152 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,0,0,0,0,0|0,1,0]=1 153 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,0,0,0,0,0|0,1,0]=1 154 B7R0.4 NCCSCC(F)F MCULE-2643130155 [0,0,0,0,0,0|2,1,1]=4 155 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,0,0,0,0,0|2,0,0]=2 156 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,0,0,0,0,0|2,0,0]=2 157 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [0,0,0,0,0,0|3,0,0]=3 158 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [0,0,0,0,0,0|3,0,0]=3 159 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [0,0,0,0,0,0|3,0,0]=3 160 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,0,0,0,0,0|2,0,0]=2 161 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,0,0,0,0,0|4,0,0]=4 162 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,0,0,0,0,0|4,0,0]=4 163 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,0,0,0,0,0|2,0,1]=3 164 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,0,0,0,0,0|2,0,2]=4 165 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,0,0,0,0,0|2,0,0]=2 166 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,0,0,0,0,0|2,0,0]=2 167 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,0,0,0,0,0|2,0,0]=2 168 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,0,0,0,0,0|2,0,0]=2 169 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,0,0,0,0,0|2,0,0]=2 170 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,0,0,0,0,0|1,0,0]=1 171 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,0,0,0,0,0|1,0,0]=1 172 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,0,0,0,0,0|1,0,0]=1 173 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,0,0,0,0,0|1,0,0]=1 174 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,0,0,0,0,0|1,1,0]=2 175 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,0,0,0,0,0|1,1,0]=2 176 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,0,0,0,0,0|2,0,1]=3 177 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,0,0,0,0,0|1,0,1]=2 178 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,0,0,0,0,0|2,0,1]=3 179 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [0,0,0,0,0,0|3,0,1]=4 182 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.4 OCCOCC(F)F MCULE-3170201998 [0,0,0,0,0,0|3,0,1]=4 184 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|1,0,1]=3 188 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|1,0,2]=4 189 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|1,0,1]=3 195 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|3,0,0]=4 196 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|1,0,2]=4 202 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|1,0,1]=3 206 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|1,0,2]=4 210 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|1,0,1]=3 211 B6R0.4 CC(=CCCN)C MCULE-9185531904 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|1,0,2]=4 213 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,0]=3 215 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,0]=3 216 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|2,0,0]=3 217 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|3,0,0]=4 218 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|2,0,0]=3 219 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [1,0,0,0,0,0|1,0,2]=4 222 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|2,0,0]=3 223 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|2,0,0]=3 224 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|1,0,0]=2 225 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|1,0,0]=2 226 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|2,0,0]=3 227 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|2,1,0]=4 228 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|1,1,0]=3 229 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|1,1,0]=3 230 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|1,1,0]=3 231 B6R0.4 CC(C)CCCN MCULE-2232715676 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.4 CC(C)CCCN MCULE-7121372197 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.4 CC(C)OCCN MCULE-6140628944 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.4 CC(C)OCCN MCULE-7438591135 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 CC(C)OCCN MCULE-7614115649 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.4 CC(N)CCCN MCULE-4857113826 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.4 CC(N)CCCN MCULE-4899798325 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|1,0,1]=3 241 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|2,0,1]=4 242 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|1,0,1]=3 244 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|1,0,1]=3 245 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|1,0,1]=3 247 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|1,0,1]=3 250 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|3,0,0]=4 252 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|3,0,0]=4 253 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|2,0,0]=3 254 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|2,0,0]=3 255 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|2,0,0]=3 256 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|2,0,0]=3 257 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|1,0,0]=2 258 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|2,1,0]=4 260 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|3,0,0]=4 270 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|3,0,0]=4 271 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|2,0,0]=3 272 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|2,0,0]=3 273 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|2,0,0]=3 274 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [1,0,0,0,0,0|1,2,0]=4 275 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [1,0,0,0,0,0|1,2,0]=4 276 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|2,1,0]=4 278 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|2,1,0]=4 279 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|2,0,0]=3 280 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|2,0,0]=3 282 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|2,0,0]=3 283 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|1,0,0]=2 284 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|1,0,0]=2 285 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.4 CCOCC(=N)N MCULE-3232806707 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.4 CCOCC(=N)N MCULE-4996987536 [1,0,0,0,0,0|2,0,0]=3 292 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|1,0,0]=2 293 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|1,0,0]=2 294 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|0,0,0]=1 295 B6R0.4 CCOCC(=S)N MCULE-7064672670 [1,0,0,0,0,0|1,1,0]=3 296 B6R0.4 CCOCC(C)C MCULE-7986128672 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.4 CCOCC(C)N MCULE-8540668261 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 CCOCC(C)N MCULE-8720228996 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,0,0,0,0|1,0,1]=3 300 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,0,0,0,0|1,0,1]=3 303 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|1,1,0]=3 306 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|0,1,0]=2 307 B6R0.4 CN(C)CCCN MCULE-3882436382 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.4 CN(C)CCCN MCULE-4415270662 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.4 CN(C)CCCN MCULE-4624916051 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.4 CN(C)CCCN MCULE-4749435878 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.4 CN(C)CCCN MCULE-9301668058 [1,0,0,0,0,0|3,0,0]=4 312 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|3,0,0]=4 313 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|3,0,0]=4 314 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|2,0,0]=3 315 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|2,0,0]=3 316 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|3,0,0]=4 319 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|3,0,0]=4 321 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|3,0,0]=4 323 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|2,0,0]=3 325 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|2,0,0]=3 326 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|3,0,0]=4 327 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|3,0,0]=4 328 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|2,0,0]=3 330 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|1,1,0]=3 332 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|0,0,2]=3 334 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|0,1,2]=4 335 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.4 N=C(N)SCCN MCULE-1482556327 [1,0,0,0,0,0|2,1,0]=4 337 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|3,0,0]=4 340 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|3,0,0]=4 341 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|3,0,0]=4 342 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,0,0,0,0|2,0,0]=3 343 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|2,0,0]=3 344 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|2,1,0]=4 345 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|0,0,2]=3 346 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,0,0,0,0,0|0,0,2]=3 347 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|0,0,2]=3 348 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|0,0,2]=3 349 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|1,0,0]=2 350 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|1,0,0]=2 351 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|1,0,0]=2 352 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|1,0,0]=2 353 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|0,0,0]=1 354 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|0,0,0]=1 355 B6R0.4 NCCCC(F)F MCULE-3173114913 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.4 NCCCC(F)F MCULE-8441119601 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|2,0,0]=3 358 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|2,0,0]=3 359 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.4 NCCNC(=S)N MCULE-7473616024 [1,0,0,0,0,0|2,1,0]=4 361 B6R0.4 NCCNC(=S)N MCULE-7947010145 [1,0,0,0,0,0|2,1,0]=4 362 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,0,0,0,0|1,0,0]=2 363 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,0,0,0,0|1,0,0]=2 364 B6R0.4 NCCOC(F)F MCULE-4294860342 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.4 NCCOC(F)F MCULE-4957283927 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.4 NCCON(=O)=O MCULE-1660868950 [1,0,0,0,0,0|1,0,1]=3 367 B6R0.4 NCCON(=O)=O MCULE-5781896981 [1,0,0,0,0,0|1,0,1]=3 368 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|1,0,0]=2 369 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|1,0,0]=2 370 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,0]=3 371 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,0]=3 372 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,0,0,0,0|2,0,0]=3 373 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,0,0,0,0|2,0,0]=3 374 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,0,0,0,0|2,0,0]=3 375 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,0,0,0,0|1,0,2]=4 376 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,0,0,0,0|1,0,2]=4 377 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|1,0,2]=4 378 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,0,0,0,0,0|1,0,2]=4 379 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,0,0,0,0,0|1,0,2]=4 380 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|1,0,2]=4 381 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,0,0,0,0|1,0,2]=4 382 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,0,0,0,0|1,0,2]=4 383 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|1,0,2]=4 384 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|1,0,0]=2 385 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|1,0,0]=2 386 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|1,0,0]=2 387 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|1,0,0]=2 388 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|1,0,0]=2 389 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|2,0,0]=3 390 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|1,0,1]=3 391 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|2,0,1]=4 392 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|1,0,1]=3 393 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|2,0,1]=4 394 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,0,0,0,0,0|2,0,1]=4 395 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.6 BrCCOCCBr MCULE-7971589019 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.6 C#CCCCC=O MCULE-4075029417 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.6 C#CCCCCN MCULE-1313888655 [1,0,0,0,0,0|2,0,1]=4 401 B6R0.6 C#CCCCCN MCULE-5521830994 [1,0,0,0,0,0|2,0,1]=4 402 B6R0.6 C#CCOCCBr MCULE-5950372691 [1,0,0,0,0,0|2,0,1]=4 403 B6R0.6 C#CCOCCI MCULE-1768726531 [1,0,0,0,0,0|2,0,1]=4 404 B6R0.6 C#CCOCCN MCULE-3709649461 [1,0,0,0,0,0|1,0,1]=3 405 B6R0.6 C#CCOCCN MCULE-5750437888 [1,0,0,0,0,0|1,0,1]=3 406 B6R0.6 C#CCOCCO MCULE-4502913039 [1,0,0,0,0,0|1,0,2]=4 407 B6R0.6 C#CCSCCN MCULE-2934790818 [1,0,0,0,0,0|1,1,1]=4 408 B6R0.6 C#CCSCCN MCULE-8370704639 [1,0,0,0,0,0|1,1,1]=4 409 B6R0.6 C=CC=CCCN MCULE-8129949310 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.6 C=CCCCC=O MCULE-8676840281 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.6 C=CCCCCBr MCULE-4313298656 [1,0,0,0,0,0|3,0,0]=4 412 B6R0.6 C=CCCCCC MCULE-5868303078 [1,0,0,0,0,0|3,0,0]=4 413 B6R0.6 C=CCCCCCl MCULE-7600727876 [1,0,0,0,0,0|3,0,0]=4 414 B6R0.6 C=CCCCCI MCULE-5694143061 [1,0,0,0,0,0|3,0,0]=4 415 B6R0.6 C=CCCCCN MCULE-1489231988 [1,0,0,0,0,0|2,0,0]=3 416 B6R0.6 C=CCCCCN MCULE-4288584778 [1,0,0,0,0,0|2,0,0]=3 417 B6R0.6 C=CCCCCO MCULE-3631432277 [1,0,0,0,0,0|3,0,0]=4 418 B6R0.6 C=CCCCON MCULE-6496647420 [1,0,0,0,0,0|3,0,0]=4 419 B6R0.6 C=CCCCON MCULE-7055713530 [1,0,0,0,0,0|3,0,0]=4 420 B6R0.6 C=CCNCCC MCULE-4239068147 [1,0,0,0,0,0|3,0,0]=4 421 B6R0.6 C=CCNCCC MCULE-9778489216 [1,0,0,0,0,0|3,0,0]=4 422 B6R0.6 C=CCNCCO MCULE-5860509324 [1,0,0,0,0,0|3,0,0]=4 423 B6R0.6 C=CCOCC=C MCULE-1121686176 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.6 C=CCOCC=O MCULE-8507800253 [1,0,0,0,0,0|1,0,1]=3 425 B6R0.6 C=CCOCCBr MCULE-7565992230 [1,0,0,0,0,0|2,0,0]=3 426 B6R0.6 C=CCOCCCl MCULE-1353236332 [1,0,0,0,0,0|2,0,0]=3 427 B6R0.6 C=CCOCCI MCULE-8468439129 [1,0,0,0,0,0|2,0,0]=3 428 B6R0.6 C=CCOCCN MCULE-5411259412 [1,0,0,0,0,0|1,0,0]=2 429 B6R0.6 C=CCOCCN MCULE-9798285838 [1,0,0,0,0,0|1,0,0]=2 430 B6R0.6 C=CCOCCO MCULE-5718868633 [1,0,0,0,0,0|2,0,0]=3 431 B6R0.6 C=CCOCOC MCULE-6553342654 [1,0,0,0,0,0|3,0,0]=4 432 B6R0.6 C=CCSCCC MCULE-3855352363 [1,0,0,0,0,0|2,1,0]=4 433 B6R0.6 C=CCSCCN MCULE-3972995930 [1,0,0,0,0,0|1,1,0]=3 434 B6R0.6 C=CCSCCN MCULE-9922932955 [1,0,0,0,0,0|1,1,0]=3 435 B6R0.6 C=COCCCN MCULE-1669664157 [1,0,0,0,0,0|3,0,0]=4 436 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.6 CCC#CCC=O MCULE-4049790039 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,0,0,0,0,0|2,0,1]=4 440 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,0,0,0,0,0|2,0,1]=4 441 B6R0.6 CCCCCC=O MCULE-6770578514 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.6 CCCCCCN MCULE-2944455155 [1,0,0,0,0,0|2,0,1]=4 443 B6R0.6 CCCCCCN MCULE-6014217174 [1,0,0,0,0,0|2,0,1]=4 444 B6R0.6 CCCCCCN MCULE-6021451227 [1,0,0,0,0,0|2,0,1]=4 445 B6R0.6 CCCCCCO MCULE-4299150163 [1,0,0,0,0,0|2,0,1]=4 446 B6R0.6 CCCCNC=O MCULE-8821792924 [1,0,0,0,0,0|3,0,0]=4 447 B6R0.6 CCCCOC=O MCULE-4633421026 [1,0,0,0,0,0|3,0,0]=4 448 B6R0.6 CCCNCCN MCULE-2288945868 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.6 CCCNCCO MCULE-4813687741 [1,0,0,0,0,0|2,0,1]=4 450 B6R0.6 CCCOCC#N MCULE-7011471802 [1,0,0,0,0,0|2,0,1]=4 451 B6R0.6 CCCOCCC MCULE-1390130917 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.6 CCCOCCCl MCULE-6561613708 [1,0,0,0,0,0|2,0,1]=4 453 B6R0.6 CCCOCCI MCULE-5330098176 [1,0,0,0,0,0|2,0,1]=4 454 B6R0.6 CCCOCCN MCULE-1987261931 [1,0,0,0,0,0|1,0,1]=3 455 B6R0.6 CCCOCCN MCULE-9033871038 [1,0,0,0,0,0|1,0,1]=3 456 B6R0.6 CCCOCCO MCULE-3263526264 [1,0,0,0,0,0|1,0,1]=3 457 B6R0.6 CCCSCCN MCULE-3934428121 [1,0,0,0,0,0|1,1,1]=4 458 B6R0.6 CCCSCCN MCULE-5705755172 [1,0,0,0,0,0|1,1,1]=4 459 B6R0.6 CCCSCCO MCULE-8371796663 [1,0,0,0,0,0|1,1,1]=4 460 B6R0.6 CCOCCC=O MCULE-1664130148 [1,0,0,0,0,0|3,0,0]=4 461 B6R0.6 CCSCCC=O MCULE-2493452950 [1,0,0,0,0,0|3,0,0]=4 462 B6R0.6 CNCCCCN MCULE-2542685963 [1,0,0,0,0,0|3,0,0]=4 463 B6R0.6 CNCCCCN MCULE-7925344560 [1,0,0,0,0,0|3,0,0]=4 464 B6R0.6 COCCCC=O MCULE-2055914202 [1,0,0,0,0,0|3,0,0]=4 465 B6R0.6 COCCCCN MCULE-9584631056 [1,0,0,0,0,0|3,0,0]=4 466 B6R0.6 COCOCCBr MCULE-8856323357 [1,0,0,0,0,0|3,0,0]=4 467 B6R0.6 COCOCCI MCULE-4444019738 [1,0,0,0,0,0|3,0,0]=4 468 B6R0.6 COCOCCN MCULE-7974740048 [1,0,0,0,0,0|2,0,0]=3 469 B6R0.6 COCOCCO MCULE-8093241209 [1,0,0,0,0,0|2,0,1]=4 470 B6R0.6 CSCCCC=O MCULE-6353729217 [1,0,0,0,0,0|3,0,0]=4 471 B6R0.6 CSCCCCN MCULE-2391033479 [1,0,0,0,0,0|3,0,0]=4 472 B6R0.6 ClCCOCCCl MCULE-2189904184 [1,0,0,0,0,0|2,0,1]=4 473 B6R0.6 ClCCOCCI MCULE-8666203040 [1,0,0,0,0,0|2,0,1]=4 474 B6R0.6 ICCOCCI MCULE-8427607007 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.6 N#CCCCCN MCULE-4183048720 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.6 N#CCCCCN MCULE-4775375165 [1,0,0,0,0,0|2,0,1]=4 477 B6R0.6 N#CCOCCCl MCULE-7348074062 [1,0,0,0,0,0|2,0,1]=4 478 B6R0.6 NCCCCCBr MCULE-3577483607 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.6 NCCCCCBr MCULE-7572691537 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.6 NCCCCCF MCULE-1057270243 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.6 NCCCCCN MCULE-3785554987 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.6 NCCCCCN MCULE-5173983982 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.6 NCCCCCO MCULE-8877250712 [1,0,0,0,0,0|1,0,1]=3 484 B6R0.6 NCCCCCS MCULE-1813104379 [1,0,0,0,0,0|1,1,1]=4 485 B6R0.6 NCCCCCS MCULE-6081835870 [1,0,0,0,0,0|1,1,1]=4 486 B6R0.6 NCCCCNO MCULE-6478748569 [1,0,0,0,0,0|2,0,0]=3 487 B6R0.6 NCCCNC=O MCULE-9651299205 [1,0,0,0,0,0|2,0,0]=3 488 B6R0.6 NCCNCCCl MCULE-8909584172 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.6 NCCNCCCl MCULE-9412103836 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.6 NCCNCCN MCULE-4710767146 [1,0,0,0,0,0|2,0,1]=4 491 B6R0.6 NCCNCCN MCULE-4803305991 [1,0,0,0,0,0|2,0,1]=4 492 B6R0.6 NCCNCCO MCULE-2112359407 [1,0,0,0,0,0|1,0,1]=3 493 B6R0.6 NCCOCCBr MCULE-6520580224 [1,0,0,0,0,0|1,0,1]=3 494 B6R0.6 NCCOCCCl MCULE-1975521529 [1,0,0,0,0,0|1,0,1]=3 495 B6R0.6 NCCOCCCl MCULE-9715175348 [1,0,0,0,0,0|1,0,1]=3 496 B6R0.6 NCCOCCF MCULE-4126568309 [1,0,0,0,0,0|1,0,1]=3 497 B6R0.6 NCCOCCF MCULE-4641621710 [1,0,0,0,0,0|1,0,1]=3 498 B6R0.6 NCCOCCN MCULE-1630934305 [1,0,0,0,0,0|1,0,1]=3 499 B6R0.6 NCCOCCN MCULE-3282393357 [1,0,0,0,0,0|1,0,1]=3 500 B6R0.6 NCCOCCN MCULE-3788231540 [1,0,0,0,0,0|1,0,1]=3 501 B6R0.6 NCCOCCO MCULE-1073574088 [1,0,0,0,0,0|0,0,1]=2 502 B6R0.6 NCCSCCN MCULE-4317147284 [1,0,0,0,0,0|1,1,1]=4 503 B6R0.6 NCCSCCN MCULE-5449033874 [1,0,0,0,0,0|1,1,1]=4 504 B6R0.6 NCCSCCO MCULE-1475378446 [1,0,0,0,0,0|0,1,1]=3 505 B6R0.6 NNCCCCO MCULE-3928748589 [1,0,0,0,0,0|2,0,1]=4 506 B6R0.6 O=CCCCC=O MCULE-6802048757 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.6 O=CCCCCCl MCULE-1257670284 [1,0,0,0,0,0|2,0,0]=3 508 B6R0.6 O=CCCCCO MCULE-7959082228 [1,0,0,0,0,0|2,0,0]=3 509 B6R0.6 O=CNCCCO MCULE-7926485528 [1,0,0,0,0,0|3,0,0]=4 510 B6R0.6 O=NCNCCO MCULE-4478167391 [1,0,0,0,0,0|3,0,0]=4 511 B6R0.6 OCCCCCBr MCULE-1444733196 [1,0,0,0,0,0|2,0,1]=4 512 B6R0.6 OCCCCCCl MCULE-5666058059 [1,0,0,0,0,0|2,0,1]=4 513 B6R0.6 OCCCCCF MCULE-9253204275 [1,0,0,0,0,0|2,0,1]=4 514 B6R0.6 OCCCCCI MCULE-8707758496 [1,0,0,0,0,0|2,0,1]=4 515 B6R0.6 OCCCCCO MCULE-1044076048 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.6 OCCNCCCl MCULE-7809492267 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.6 OCCNCCCl MCULE-9007709158 [1,0,0,0,0,0|2,0,1]=4 518 B6R0.6 OCCNCCO MCULE-9183096746 [1,0,0,0,0,0|2,0,1]=4 519 B6R0.6 OCCNCCO MCULE-9803420258 [1,0,0,0,0,0|2,0,1]=4 520 B6R0.6 OCCOCCBr MCULE-2641000270 [1,0,0,0,0,0|1,0,1]=3 521 B6R0.6 OCCOCCCl MCULE-7320539957 [1,0,0,0,0,0|1,0,1]=3 522 B6R0.6 OCCOCCF MCULE-1780385479 [1,0,0,0,0,0|1,0,1]=3 523 B6R0.6 OCCOCCI MCULE-1083607130 [1,0,0,0,0,0|1,0,1]=3 524 B6R0.6 OCCOCCO MCULE-1531783732 [1,0,0,0,0,0|1,0,1]=3 525 B6R0.6 OCCSCCO MCULE-5502656030 [1,0,0,0,0,0|1,1,1]=4 526 B6R0.6 OCCSCCS MCULE-4418561990 [1,0,0,0,0,0|1,1,1]=4 527 B6R0.6 SCCOCCS MCULE-6659110232 [1,0,0,0,0,0|1,1,1]=4 528 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,1,0,0,0,0|2,0,1]=4 538 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,1,0,0,0,0|2,0,0]=3 539 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,1,0,0,0,0|2,0,1]=4 541 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,1,0,0,0,0|2,0,1]=4 542 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,1,0,0,0,0|2,0,1]=4 548 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,1,0,0,0,0|2,0,1]=4 549 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,1,0,0,0,0|2,0,1]=4 550 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,1,0,0,0,0|2,0,0]=3 556 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,1,0,0,0,0|2,0,0]=3 560 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,1,0,0,0,0|2,0,0]=3 562 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,1,0,0,0,0|2,0,0]=3 563 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,1,0,0,0,0|2,0,0]=3 564 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,1,0,0,0,0|2,0,0]=3 565 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,1,0,0,0,0|1,1,0]=3 566 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,1,0,0,0,0|2,0,0]=3 569 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,1,0,0,0,0|2,0,0]=3 570 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,1,0,0,0,0|2,0,0]=3 571 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,1,0,0,0,0|3,0,0]=4 572 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,1,0,0,0,0|3,0,0]=4 573 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,1,0,0,0,0|3,0,0]=4 574 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,1,0,0,0,0|3,0,0]=4 575 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,1,0,0,0,0|2,0,0]=3 577 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,1,0,0,0,0|3,0,0]=4 580 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,1,0,0,0,0|1,0,0]=2 581 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,1,0,0,0,0|1,0,0]=2 582 B8R0.6 C#CCCCC(=O)OC MCULE-1834140672 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.6 C#CCOCC(=O)OC MCULE-8743984162 [0,1,0,0,0,0|1,0,1]=3 584 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.6 C=CCCCC(=O)OC MCULE-4913183131 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.6 C=CCOCC(=O)OC MCULE-7670885186 [0,1,0,0,0,0|1,0,1]=3 587 B8R0.6 C=CCSCC(=O)OC MCULE-3363963029 [0,1,0,0,0,0|1,1,1]=4 588 B8R0.6 CCC/C=C/C(=O)OC MCULE-6273561448 [0,1,0,0,0,0|2,0,1]=4 589 B8R0.6 CCC=CCC(=O)OC MCULE-6432541061 [0,1,0,0,0,0|2,0,1]=4 590 B8R0.6 CCCC#CC(=O)OC MCULE-1573744334 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.6 CCCC=CC(=O)OC MCULE-1227063444 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.6 CCCCCC(=N)NO MCULE-4721600537 [0,1,0,0,0,0|3,0,0]=4 593 B8R0.6 CCCCCC(=O)CBr MCULE-6642335283 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.6 CCCCCC(=O)CC MCULE-2012071553 [0,1,0,0,0,0|3,0,0]=4 595 B8R0.6 CCCCCC(=O)NN MCULE-3138841743 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [0,1,0,0,0,0|2,0,0]=3 597 B8R0.6 CCCCCC(=O)OC MCULE-2317616388 [0,1,0,0,0,0|2,0,0]=3 598 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.6 CCCNCC(=O)NC MCULE-4750972571 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.6 CCCNCC(=O)OC MCULE-3321545319 [0,1,0,0,0,0|2,0,0]=3 601 B8R0.6 CCCNCC(=O)OC MCULE-5989619684 [0,1,0,0,0,0|2,0,0]=3 602 B8R0.6 CCCOCC(C)CO MCULE-8326797774 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.6 CCCOCC(O)CO MCULE-8815613620 [0,1,0,0,0,0|1,0,2]=4 604 B8R0.6 CCCOC[C@H](O)CO MCULE-7750792134 [0,1,0,0,0,0|1,0,2]=4 605 B8R0.6 CCCSCC(=O)OC MCULE-3865642484 [0,1,0,0,0,0|1,1,0]=3 606 B8R0.6 CCNCCC(=O)OC MCULE-4846173976 [0,1,0,0,0,0|3,0,0]=4 607 B8R0.6 CCSCCC(=O)OC MCULE-5773388371 [0,1,0,0,0,0|3,0,0]=4 608 B8R0.6 CNC(=O)CCCON MCULE-8352787831 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.6 CNCCCC(=O)OC MCULE-2437073705 [0,1,0,0,0,0|3,0,0]=4 610 B8R0.6 CNCCCC(=O)OC MCULE-6776715081 [0,1,0,0,0,0|3,0,0]=4 611 B8R0.6 COC(=O)CCCC#N MCULE-9088492518 [0,1,0,0,0,0|1,0,2]=4 612 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.6 COC(=O)CCCCBr MCULE-8354790214 [0,1,0,0,0,0|2,0,0]=3 614 B8R0.6 COC(=O)CCCCCl MCULE-7057883989 [0,1,0,0,0,0|2,0,0]=3 615 B8R0.6 COC(=O)CCCCI MCULE-1527923255 [0,1,0,0,0,0|2,0,0]=3 616 B8R0.6 COC(=O)CCCCN MCULE-3452725442 [0,1,0,0,0,0|1,0,0]=2 617 B8R0.6 COC(=O)CCCCN MCULE-8816545129 [0,1,0,0,0,0|1,0,0]=2 618 B8R0.6 COC(=O)CCCCO MCULE-2443996181 [0,1,0,0,0,0|2,0,0]=3 619 B8R0.6 COC(=O)CCCCS MCULE-5194099368 [0,1,0,0,0,0|2,0,0]=3 620 B8R0.6 COC(=O)CCCON MCULE-1522874324 [0,1,0,0,0,0|2,0,0]=3 621 B8R0.6 COC(=O)CCCON MCULE-4748610058 [0,1,0,0,0,0|2,0,0]=3 622 B8R0.6 COC(=O)CCCSC MCULE-7320944174 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.6 COC(=O)CNCC#N MCULE-4088324466 [0,1,0,0,0,0|1,0,2]=4 624 B8R0.6 COC(=O)COCCCl MCULE-4344602258 [0,1,0,0,0,0|1,0,0]=2 625 B8R0.6 COC(=O)COCCN MCULE-5090944064 [0,1,0,0,0,0|0,0,0]=1 626 B8R0.6 COC(=O)COCCN MCULE-6748820855 [0,1,0,0,0,0|0,0,0]=1 627 B8R0.6 COC(=O)COCCO MCULE-7869619911 [0,1,0,0,0,0|1,0,0]=2 628 B8R0.6 COC(=O)CSCC#N MCULE-9919146652 [0,1,0,0,0,0|0,1,2]=4 629 B8R0.6 COC(=O)CSCCN MCULE-5578128958 [0,1,0,0,0,0|0,1,0]=2 630 B8R0.6 COC(=O)CSCCN MCULE-6891143571 [0,1,0,0,0,0|0,1,0]=2 631 B8R0.6 COC(=O)SSCCN MCULE-2854223096 [0,1,0,0,0,0|1,1,0]=3 632 B8R0.6 COCCCC(=O)OC MCULE-4109110804 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.6 NCCCCC(N)CO MCULE-5938273372 [0,1,0,0,0,0|2,0,1]=4 634 B8R0.6 NCCCCC(N)CO MCULE-9464237285 [0,1,0,0,0,0|2,0,1]=4 635 B8R0.6 NCCCC[C@H](N)CO MCULE-4735749396 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.6 NCCCC[C@H](N)CO MCULE-6997150748 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.6 NCCCC[C@H](N)CO MCULE-7936699760 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.6 NCCCC[C@H](N)CO MCULE-9135547877 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.6 NCCNCC(O)CO MCULE-4818647623 [0,1,0,0,0,0|1,0,2]=4 640 B8R0.6 NNC(=O)COCCO MCULE-8424164288 [0,1,0,0,0,0|2,0,0]=3 641 B8R0.6 OC(CCl)COCCCl MCULE-4547951832 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.6 OCCOCC(=CBr)Br MCULE-7768949529 [0,1,0,0,0,0|3,0,0]=4 643 B8R0.6 OCCOCC(O)CCl MCULE-1530998868 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.6 OCCOCC(O)CO MCULE-4768071463 [0,1,0,0,0,0|1,0,2]=4 645 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [0,1,0,0,0,0|2,0,0]=3 646 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [0,1,0,0,0,0|1,0,0]=2 647 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [0,1,0,0,0,0|1,0,1]=3 648 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [0,1,0,0,0,0|2,0,0]=3 650 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [0,1,0,0,0,0|2,0,0]=3 651 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [0,1,0,0,0,0|1,0,0]=2 652 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [0,1,0,0,0,0|1,0,1]=3 653 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.7 CC(=O)CCCCC#N MCULE-2841814511 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [0,1,0,0,0,0|3,0,0]=4 656 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [0,1,0,0,0,0|2,0,0]=3 658 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [0,1,0,0,0,0|2,0,0]=3 659 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [0,1,0,0,0,0|2,0,0]=3 660 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [0,1,0,0,0,0|3,0,0]=4 661 B8R0.7 CC(=O)OCCCCBr MCULE-6081921662 [0,1,0,0,0,0|3,0,0]=4 662 B8R0.7 CC(=O)OCCCCCl MCULE-3999602136 [0,1,0,0,0,0|3,0,0]=4 663 B8R0.7 CC(=O)OCCCCI MCULE-6699791525 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.7 CC(=O)SCCCCBr MCULE-1636667997 [0,1,0,0,0,0|3,0,0]=4 666 B8R0.7 CC(=O)SCCCCN MCULE-2425585672 [0,1,0,0,0,0|2,0,0]=3 667 B8R0.7 CC(=O)SCCCCN MCULE-9899884734 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.7 CC(C)CCOCCN MCULE-2357363560 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.7 CC(C)COCCCN MCULE-1113222381 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [0,1,0,0,0,0|2,0,0]=3 673 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [0,1,0,0,0,0|2,0,1]=4 675 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [0,1,0,0,0,0|3,0,0]=4 677 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [0,1,0,0,0,0|3,0,0]=4 678 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [0,1,0,0,0,0|2,0,0]=3 679 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.7 CCCCCOC(=O)C MCULE-4911325533 [0,1,0,0,0,0|3,0,0]=4 682 B8R0.7 CCCCCOC(=O)Cl MCULE-2896207255 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [0,1,0,0,0,0|3,0,0]=4 684 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [0,1,0,0,0,0|3,0,0]=4 685 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [0,1,0,0,0,0|2,0,0]=3 686 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [0,1,0,0,0,0|1,0,0]=2 687 B8R0.7 CCCCOCC(C)O MCULE-6350800869 [0,1,0,0,0,0|2,0,1]=4 688 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [0,1,0,0,0,0|1,1,0]=3 689 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [0,1,0,0,0,0|3,0,0]=4 691 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [0,1,0,0,0,0|2,0,0]=3 692 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [0,1,0,0,0,0|2,0,0]=3 693 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [0,1,0,0,0,0|1,0,0]=2 694 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [0,1,0,0,0,0|1,1,1]=4 695 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [0,1,0,0,0,0|1,1,0]=3 696 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [0,1,0,0,0,0|2,0,0]=3 697 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [0,1,0,0,0,0|2,0,0]=3 698 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [0,1,0,0,0,0|2,0,0]=3 699 B8R0.7 CN(C)CCOCCN MCULE-3747000450 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.7 CN(C)CCOCCN MCULE-4193790881 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.7 CN(C)CCOCCN MCULE-7340326244 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [0,1,0,0,0,0|1,0,0]=2 703 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [0,1,0,0,0,0|1,0,0]=2 704 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [0,1,0,0,0,0|3,0,0]=4 705 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [0,1,0,0,0,0|3,0,0]=4 706 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [0,1,0,0,0,0|0,0,0]=1 707 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [0,1,0,0,0,0|2,0,0]=3 708 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [0,1,0,0,0,0|2,0,0]=3 711 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [0,1,0,0,0,0|2,0,0]=3 712 B8R0.7 COCCOCC(=O)C MCULE-5956367525 [0,1,0,0,0,0|2,0,0]=3 713 B8R0.7 COCCOCC(=O)Cl MCULE-9321414156 [0,1,0,0,0,0|2,0,0]=3 714 B8R0.7 COCCOCC(=O)N MCULE-8987780803 [0,1,0,0,0,0|2,0,0]=3 715 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [0,1,0,0,0,0|1,0,0]=2 716 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [0,1,0,0,0,0|1,1,0]=3 717 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [0,1,0,0,0,0|2,0,0]=3 718 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [0,1,0,0,0,0|2,0,0]=3 719 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [0,1,0,0,0,0|2,0,0]=3 720 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [0,1,0,0,0,0|1,0,0]=2 721 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.7 N#CCCCCC(=O)N MCULE-7791035164 [0,1,0,0,0,0|2,0,1]=4 723 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [0,1,0,0,0,0|1,0,1]=3 724 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [0,1,0,0,0,0|1,0,1]=3 725 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.7 N=C(N)NCCCCN MCULE-1546201217 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.7 N=C(N)NCCCCN MCULE-8707833566 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.7 N=C(N)NCCCCN MCULE-9916947559 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [0,1,0,0,0,0|3,0,0]=4 730 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.7 NC(=O)CCNCCS MCULE-4682566242 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [0,1,0,0,0,0|2,0,0]=3 733 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [0,1,0,0,0,0|2,0,0]=3 734 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [0,1,0,0,0,0|1,0,0]=2 735 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [0,1,0,0,0,0|1,0,0]=2 736 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [0,1,0,0,0,0|1,0,1]=3 737 B8R0.7 NCCCCNC(=O)N MCULE-6339634491 [0,1,0,0,0,0|2,0,0]=3 738 B8R0.7 NCCCCNC(=O)N MCULE-8210849027 [0,1,0,0,0,0|2,0,0]=3 739 B8R0.7 NCCCCNC(=[NH2+])N MCULE-1741616711 [0,1,0,0,0,0|3,0,0]=4 740 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [0,1,0,0,0,0|1,0,0]=2 741 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [0,1,0,0,0,0|1,0,0]=2 742 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [0,1,0,0,0,0|0,0,0]=1 743 B8R0.7 NCCCOCC(F)F MCULE-9811400597 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [0,1,0,0,0,0|1,0,0]=2 745 B8R0.7 NCCNCCC(=O)[O-] MCULE-8896439746 [0,1,0,0,0,0|1,0,1]=3 746 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [0,1,0,0,0,0|0,0,0]=1 747 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [0,1,0,0,0,0|0,0,0]=1 748 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [0,1,0,0,0,0|0,1,0]=2 749 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [0,1,0,0,0,0|1,0,0]=2 750 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [0,1,0,0,0,0|1,0,0]=2 751 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [0,1,0,0,0,0|3,0,0]=4 752 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [0,1,0,0,0,0|3,0,0]=4 753 B8R0.7 O=C(Cl)OCCCCCl MCULE-4992919323 [0,1,0,0,0,0|3,0,0]=4 754 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [0,1,0,0,0,0|2,0,0]=3 756 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [0,1,0,0,0,0|2,0,0]=3 757 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [0,1,0,0,0,0|2,0,0]=3 758 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [0,1,0,0,0,0|2,0,0]=3 759 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [0,1,0,0,0,0|2,0,0]=3 760 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [0,1,0,0,0,0|1,0,0]=2 761 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [0,1,0,0,0,0|1,0,0]=2 762 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [0,1,0,0,0,0|1,0,0]=2 763 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [0,1,0,0,0,0|1,1,0]=3 764 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [0,1,0,0,0,0|1,0,0]=2 765 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [0,1,0,0,0,0|2,0,0]=3 769 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.8 C#CCOC(C)C(=O)O MCULE-7792481116 [0,1,0,0,0,0|1,0,1]=3 779 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,1,0,0,0,0|3,0,0]=4 781 B8R0.8 C=C(C)C(=O)OCCN MCULE-1298883252 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.8 C=C(C)C(=O)OCCN MCULE-8628486692 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,1,0,0,0,0|2,0,1]=4 786 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,1,0,0,0,0|2,0,1]=4 790 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,1,0,0,0,0|1,0,1]=3 793 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,1,0,0,0,0|1,1,1]=4 794 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,1,0,0,0,0|2,0,0]=3 795 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,1,0,0,0,0|0,0,0]=1 796 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,1,0,0,0,0|0,0,0]=1 797 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,1,0,0,0,0|1,0,0]=2 798 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,1,0,0,0,0|3,0,0]=4 802 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,1,0,0,0,0|2,0,0]=3 803 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,1,0,0,0,0|3,0,0]=4 805 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,1,0,0,0,0|3,0,0]=4 806 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,1,0,0,0,0|2,0,0]=3 807 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,1,0,0,0,0|2,0,0]=3 808 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,1,0,0,0,0|3,0,0]=4 810 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,1,0,0,0,0|2,0,0]=3 811 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,1,0,0,0,0|3,0,0]=4 812 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,1,0,0,0,0|2,0,0]=3 813 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,1,0,0,0,0|2,0,0]=3 814 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,1,0,0,0,0|2,0,0]=3 815 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,1,0,0,0,0|2,0,0]=3 816 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,1,0,0,0,0|2,0,0]=3 817 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,1,0,0,0,0|2,0,0]=3 818 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,1,0,0,0,0|3,0,0]=4 819 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,1,0,0,0,0|3,0,0]=4 820 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,1,0,0,0,0|3,0,0]=4 821 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,1,0,0,0,0|3,0,0]=4 822 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,1,0,0,0,0|2,0,0]=3 824 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,1,0,0,0,0|1,0,0]=2 826 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,1,0,0,0,0|3,0,0]=4 830 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,1,0,0,0,0|3,0,0]=4 831 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,1,0,0,0,0|3,0,0]=4 832 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,1,0,0,0,0|3,0,0]=4 835 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,1,0,0,0,0|3,0,0]=4 836 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,1,0,0,0,0|3,0,0]=4 840 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,1,0,0,0,0|3,0,0]=4 841 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,1,0,0,0,0|3,0,0]=4 842 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,1,0,0,0,0|3,0,0]=4 843 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,1,0,0,0,0|3,0,0]=4 844 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,1,0,0,0,0|3,0,0]=4 847 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,1,0,0,0,0|2,0,0]=3 849 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,1,0,0,0,0|1,0,0]=2 850 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,1,0,0,0,0|1,0,0]=2 851 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,1,0,0,0,0|1,0,0]=2 852 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,1,0,0,0,0|1,0,0]=2 853 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,1,0,0,0,0|1,0,0]=2 854 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,1,0,0,0,0|1,0,0]=2 855 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,1,0,0,0,0|1,0,0]=2 856 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,1,0,0,0,0|1,0,0]=2 857 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,1,0,0,0,0|1,0,0]=2 858 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,1,0,0,0,0|1,0,0]=2 859 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,1,0,0,0,0|1,0,0]=2 860 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,1,0,0,0,0|1,0,0]=2 861 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,1,0,0,0,0|1,0,0]=2 862 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,1,0,0,0,0|1,0,0]=2 863 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,1,0,0,0,0|1,0,0]=2 864 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,1,0,0,0,0|1,0,0]=2 865 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,1,0,0,0,0|2,0,0]=3 866 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,1,0,0,0,0|2,0,0]=3 867 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,1,0,0,0,0|2,0,0]=3 868 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,1,0,0,0,0|2,0,0]=3 869 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,1,0,0,0,0|2,0,0]=3 870 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,1,0,0,0,0|2,0,0]=3 871 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,1,0,0,0,0|2,0,0]=3 872 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,1,0,0,0,0|2,0,1]=4 873 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,1,0,0,0,0|2,0,0]=3 875 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,1,0,0,0,0|2,0,1]=4 880 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,1,0,0,0,0|3,0,0]=4 881 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,1,0,0,0,0|1,0,2]=4 882 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,1,0,0,0,0|3,0,0]=4 883 B8R0.9 CC(O)COC(C)CO MCULE-7544702364 [0,1,0,0,0,0|2,0,1]=4 884 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,0|2,0,1]=4 885 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|2,0,1]=4 886 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,0,0,0,0|2,0,0]=3 891 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,0,0,0,0|1,0,0]=2 892 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,1,0,0,0,0|3,0,0]=4 893 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,0|2,0,0]=3 894 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,0|2,0,0]=3 895 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,1,0,0,0,0|2,0,1]=4 897 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,0|3,0,0]=4 898 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,0|3,0,0]=4 900 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,0|3,0,0]=4 902 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,0|1,0,1]=3 904 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,0|1,0,1]=3 905 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,0|1,0,1]=3 906 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,0|1,0,1]=3 908 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,0|1,0,1]=3 909 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,0|1,0,0]=2 910 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,0|1,0,0]=2 911 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,0|1,0,0]=2 912 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,0|2,0,0]=3 917 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,0|2,0,0]=3 918 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,0|2,0,1]=4 919 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,0|3,0,0]=4 920 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,0|1,0,1]=3 922 B8R0.21 CC(C)(C)COCCN MCULE-1882090258 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.21 CC(C)(C)COCCN MCULE-2843825873 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.21 CC(C)(O)COCCN MCULE-2240767212 [0,1,0,0,0,0|1,0,1]=3 925 B8R0.21 CC(C)(O)COCCN MCULE-5560320482 [0,1,0,0,0,0|1,0,1]=3 926 B8R0.21 CC(C)(O)CSCCN MCULE-4399456914 [0,1,0,0,0,0|1,1,1]=4 927 B8R0.21 CCCCCS(=O)(=O)O MCULE-3941343492 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.21 CS(=O)(=O)CCCCN MCULE-2550166149 [0,1,0,0,0,0|2,0,1]=4 929 B8R0.21 CS(=O)(=O)CCCCN MCULE-9182498058 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [0,1,0,0,0,0|2,0,0]=3 931 B8R0.21 NCCCCS(=O)(=O)N MCULE-1137234818 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.21 NCCCCS(=O)(=O)N MCULE-5156729166 [0,1,0,0,0,0|2,0,1]=4 933 B8R0.21 NCCCSS(=O)(=O)O MCULE-5247150694 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.21 NCCOCC(F)(F)F MCULE-4724046577 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.21 NCCOCC(F)(F)F MCULE-9007046987 [0,1,0,0,0,0|2,0,1]=4 936 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [0,1,0,0,0,0|3,0,0]=4 937 B8R0.21 O=S(=O)(O)CCCCO MCULE-7293075600 [0,1,0,0,0,0|3,0,0]=4 938 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,1,0,0,0,0|2,0,1]=4 942 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,1,0,0,0,0|3,0,0]=4 944 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,1,0,0,0,0|3,0,0]=4 945 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,1,0,0,0,0|3,0,0]=4 946 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,1,0,0,0,0|2,0,1]=4 947 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,1,0,0,0,0|2,1,0]=4 948 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,1,0,0,0,0|2,0,1]=4 949 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,1,0,0,0,0|2,0,1]=4 950 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,1,0,0,0,0|2,0,1]=4 951 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,1,0,0,0,0|2,0,0]=3 952 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,1,0,0,0,0|3,0,0]=4 953 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,1,0,0,0,0|3,0,0]=4 954 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,1,0,0,0,0|2,0,0]=3 955 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,1,0,0,0,0|2,0,0]=3 956 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,1,0,0,0,0|2,0,0]=3 957 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,1,0,0,0,0|1,0,0]=2 958 B8R0.28 CC(C)COCC(C)O MCULE-2243697829 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,1,0,0,0,0|1,1,0]=3 960 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,1,0,0,0,0|3,0,0]=4 961 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,1,0,0,0,0|3,0,0]=4 962 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,1,0,0,0,0|3,0,0]=4 963 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,1,0,0,0,0|3,0,0]=4 964 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,1,0,0,0,0|3,0,0]=4 965 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,1,0,0,0,0|2,0,0]=3 966 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,1,0,0,0,0|2,0,1]=4 967 B8R0.28 CC(O)COCC(C)O MCULE-9464290948 [0,1,0,0,0,0|2,0,1]=4 968 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,1,0,0,0,0|3,0,0]=4 969 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,1,0,0,0,0|3,0,0]=4 970 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,1,0,0,0,0|2,0,1]=4 971 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,1,0,0,0,0|2,0,1]=4 972 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,1,0,0,0,0|2,0,1]=4 973 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,1,0,0,0,0|1,0,1]=3 975 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,1,0,0,0,0|2,0,1]=4 976 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,1,0,0,0,0|1,0,1]=3 977 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,1,0,0,0,0|0,0,1]=2 978 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,1,0,0,0,0|1,1,1]=4 979 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,1,0,0,0,0|0,1,1]=3 980 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,1,0,0,0,0|2,0,1]=4 981 B8R0.28 NC(=S)COCC(F)F MCULE-5045851353 [0,1,0,0,0,0|2,1,0]=4 982 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,1,0,0,0,0|2,0,1]=4 984 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,1,0,0,0,0|2,0,0]=3 986 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,1,0,0,0,0|3,0,0]=4 987 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,1,0,0,0,0|2,0,1]=4 988 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,1,0,0,0,0|1,0,1]=3 989 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,1,0,0,0,0|1,0,0]=2 990 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,1,0,0,0,0|1,1,1]=4 991 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,1,0,0,0,0|1,0,1]=3 992 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,1,0,0,0,0|1,0,1]=3 993 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [0,1,0,0,0,0|1,1,1]=4 994 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,1,0,0,0,0|2,0,1]=4 995 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,0,0,1,0,0|3,0,0]=4 996 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,0,0,1,0,0|2,0,0]=3 997 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,0,0,1,0,0|3,0,0]=4 998 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,0,0,1,0,0|3,0,0]=4 999 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,0,0,1,0,0|3,0,0]=4 1000 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,0,0,1,0,0|3,0,0]=4 1001 B8R1.1 CC1=NOC(C1)CN MCULE-6359035571 [0,0,0,1,0,0|3,0,0]=4 1002 B8R1.1 CC1=NOC(C1)CN MCULE-8767310256 [0,0,0,1,0,0|3,0,0]=4 1003 B8R1.1 CC1CCC(O1)CN MCULE-4161233821 [0,0,0,1,0,0|2,0,1]=4 1004 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,0,0,1,0,0|2,0,1]=4 1005 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,0,0,1,0,0|2,0,0]=3 1006 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,0,0,1,0,0|3,0,0]=4 1007 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,0,0,1,0,0|3,0,0]=4 1008 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,0,0,1,0,0|2,0,0]=3 1009 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,0,0,1,0,0|3,0,0]=4 1010 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,0,0,1,0,0|3,0,0]=4 1011 B8R1.1 CCC1OCC(O1)C MCULE-6723875164 [0,0,0,1,0,0|2,0,1]=4 1012 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,0,0,1,0,0|3,0,0]=4 1013 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,0,0,1,0,0|2,0,0]=3 1014 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,0,0,1,0,0|3,0,0]=4 1015 B8R1.1 NCC1=CC(=NO1)O MCULE-5314463544 [0,0,0,1,0,0|2,0,1]=4 1016 B8R1.1 NCC1=CC(=O)NO1 MCULE-1130806657 [0,0,0,1,0,0|2,0,1]=4 1017 B8R1.1 NCC1=NNC(=O)O1 MCULE-2902836160 [0,0,0,1,0,0|2,0,1]=4 1018 B8R1.1 NCC1=NNC(=O)O1 MCULE-4183826388 [0,0,0,1,0,0|2,0,1]=4 1019 B8R1.1 NCC1CC(=NO1)Br MCULE-2454032123 [0,0,0,1,0,0|3,0,0]=4 1020 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,0,0,1,0,0|2,0,0]=3 1021 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,0,0,1,0,0|2,0,0]=3 1022 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,0,0,1,0,0|2,0,0]=3 1023 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,0,0,1,0,0|2,0,0]=3 1024 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,0,0,1,0,0|1,0,0]=2 1025 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,0,0,1,0,0|1,0,0]=2 1026 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [0,0,0,1,0,0|2,0,1]=4 1027 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [0,0,0,1,0,0|2,0,1]=4 1028 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,0,0,1,0,0|3,0,0]=4 1029 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,0,0,1,0,0|3,0,0]=4 1030 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,0,0,1,0,0|3,0,0]=4 1031 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,0,0,1,0,0|2,0,0]=3 1032 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,0,0,1,0,0|2,0,0]=3 1033 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,0,0,1,0,0|3,0,0]=4 1034 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,0,0,1,0,0|3,0,0]=4 1035 B8R1.1 NCC1C[C@H](CN1)O MCULE-1428185082 [0,0,0,1,0,0|2,0,1]=4 1036 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,0,0,1,0,0|2,0,0]=3 1037 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,0,0,1,0,0|2,0,0]=3 1038 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,0,0,1,0,0|2,0,0]=3 1039 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,0,0,1,0,0|2,0,0]=3 1040 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [0,0,0,1,0,0|2,0,1]=4 1041 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [0,0,0,1,0,0|2,0,1]=4 1042 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,0,0,1,0,0|3,0,0]=4 1043 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,0,0,1,0,0|3,0,0]=4 1044 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,0,0,1,0,0|3,0,0]=4 1045 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,0,0,1,0,0|3,0,0]=4 1046 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,0,0,1,0,0|2,0,0]=3 1047 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,0,0,1,0,0|2,0,0]=3 1048 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,0,0,1,0,0|2,0,0]=3 1049 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,0,0,1,0,0|2,0,0]=3 1050 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,0,0,1,0,0|2,0,0]=3 1051 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,0,0,1,0,0|2,0,0]=3 1052 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,0,0,1,0,0|2,0,0]=3 1053 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,0,0,1,0,0|2,0,0]=3 1054 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [0,0,0,1,0,0|2,0,1]=4 1055 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [0,0,0,1,0,0|2,0,1]=4 1056 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [0,0,0,1,0,0|2,0,1]=4 1057 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [0,0,0,1,0,0|2,0,1]=4 1058 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,0,0,1,0,0|3,0,0]=4 1059 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,0,0,1,0,0|3,0,0]=4 1060 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,0,0,1,0,0|3,0,0]=4 1061 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,0,0,1,0,0|3,0,0]=4 1062 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,0,0,1,0,0|2,0,0]=3 1063 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,0,0,1,0,0|2,0,0]=3 1064 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,0,0,1,0,0|2,0,0]=3 1065 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,0,0,1,0,0|2,0,0]=3 1066 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,0,0,1,0,0|3,0,0]=4 1067 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,0,0,1,0,0|3,0,0]=4 1068 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [0,0,0,1,0,0|2,0,1]=4 1069 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [0,0,0,1,0,0|2,0,1]=4 1070 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [0,0,0,1,0,0|2,0,1]=4 1071 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [0,0,0,1,0,0|2,0,1]=4 1072 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,0,0,1,0,0|3,0,0]=4 1073 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,0,0,1,0,0|3,0,0]=4 1074 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,0,0,1,0,0|3,0,0]=4 1075 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,0,0,1,0,0|3,0,0]=4 1076 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,0,0,1,0,0|3,0,0]=4 1077 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,0,0,1,0,0|2,0,0]=3 1078 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,0,0,1,0,0|2,0,0]=3 1079 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,0,0,1,0,0|2,0,0]=3 1080 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,0,0,1,0,0|2,0,0]=3 1081 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,0,0,1,0,0|2,0,0]=3 1082 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,0,0,1,0,0|3,0,0]=4 1083 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,0,0,1,0,0|3,0,0]=4 1084 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,0,0,1,0,0|3,0,0]=4 1085 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,0,0,1,0,0|3,0,0]=4 1086 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,0,0,1,0,0|3,0,0]=4 1087 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,0,0,1,0,0|3,0,0]=4 1088 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,0,0,1,0,0|2,0,0]=3 1089 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,0,0,1,0,0|2,0,0]=3 1090 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,0,0,1,0,0|3,0,0]=4 1091 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,0,0,1,0,0|3,0,0]=4 1092 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,0,0,1,0,0|3,0,0]=4 1093 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,0,0,1,0,0|3,0,0]=4 1094 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,0,0,1,0,0|2,0,0]=3 1095 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,0,0,1,0,0|2,0,0]=3 1096 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,0,0,1,0,0|3,0,0]=4 1097 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,0,0,1,0,0|3,0,0]=4 1098 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,0,0,1,0,0|3,0,0]=4 1099 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,0,0,1,0,0|3,0,0]=4 1100 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,0,0,1,0,0|3,0,0]=4 1101 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,0,0,1,0,0|3,0,0]=4 1102 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,0,0,1,0,0|3,0,0]=4 1103 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,0,0,1,0,0|3,0,0]=4 1104 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,0,0,1,0,0|3,0,0]=4 1105 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,0,0,1,0,0|3,0,0]=4 1106 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,0,0,1,0,0|3,0,0]=4 1107 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,0,0,1,0,0|3,0,0]=4 1108 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,0,0,1,0,0|3,0,0]=4 1109 B8R1.1 OC1COC(C1)CI MCULE-9241971646 [0,0,0,1,0,0|2,0,1]=4 1110 B8R1.1 OCC1CC(CO1)O MCULE-4648895678 [0,0,0,1,0,0|2,0,1]=4 1111 B8R1.1 OC[C@@H]1C[C@@H](CO1)O MCULE-7875239623 [0,0,0,1,0,0|2,0,1]=4 1112 B8R1.1 OC[C@H]1C[C@@H](CO1)O MCULE-5801561749 [0,0,0,1,0,0|2,0,1]=4 1113 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4197376814 [0,0,0,1,0,0|2,0,1]=4 1114 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4573543387 [0,0,0,1,0,0|2,0,1]=4 1115 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,0,0,1,0,0|3,0,0]=4 1116 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,1,0,0|3,0,0]=4 1117 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,0,0,1,0,0|2,0,1]=4 1118 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,0,0,1,0,0|2,0,1]=4 1119 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,1,0,0|3,0,0]=4 1120 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,1,0,0|3,0,0]=4 1121 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,1,0,0|3,0,0]=4 1122 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,1,0,0|2,0,0]=3 1123 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,1,0,0|3,0,0]=4 1124 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,1,0,0|3,0,0]=4 1125 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,1,0,0|3,0,0]=4 1126 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,1,0,0|2,0,0]=3 1127 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,1,0,0|2,0,0]=3 1128 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,1,0,0|3,0,0]=4 1129 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,1,0,0|3,0,0]=4 1130 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,1,0,0|3,0,0]=4 1131 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,1,0,0|3,0,0]=4 1132 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,1,0,0|2,0,0]=3 1133 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,1,0,0|2,0,0]=3 1134 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,1,0,0|3,0,0]=4 1135 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,1,0,0|3,0,0]=4 1136 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,1,0,0|3,0,0]=4 1137 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,1,0,0|3,0,0]=4 1138 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,1,0,0|2,0,0]=3 1139 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,1,0,0|2,0,0]=3 1140 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,1,0,0|3,0,0]=4 1141 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,1,0,0|3,0,0]=4 1142 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,1,0,0|3,0,0]=4 1143 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,1,0,0|3,0,0]=4 1144 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,1,0,0|3,0,0]=4 1145 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,1,0,0|3,0,0]=4 1146 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,1,0,0|2,0,0]=3 1147 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,1,0,0|2,0,0]=3 1148 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,0,0,1,0,0|2,0,1]=4 1149 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,0,0,1,0,0|1,0,1]=3 1150 B8R1.4 NC1C=C(CCC1)F MCULE-7477602128 [0,0,0,1,0,0|3,0,0]=4 1151 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,1,0,0|2,0,0]=3 1152 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,1,0,0|2,0,0]=3 1153 B8R1.4 NC1CCCC(C1)O MCULE-6642881941 [0,0,0,1,0,0|2,0,1]=4 1154 B8R1.4 NC1CCCC(C1)O MCULE-7481733301 [0,0,0,1,0,0|2,0,1]=4 1155 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,1,0,0|3,0,0]=4 1156 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,1,0,0|3,0,0]=4 1157 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,1,0,0|3,0,0]=4 1158 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,1,0,0|3,0,0]=4 1159 B8R1.4 NC1CNCC(C1)O MCULE-6920221467 [0,0,0,1,0,0|2,0,1]=4 1160 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,1,0,0|1,0,0]=2 1161 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,1,0,0|1,0,0]=2 1162 B8R1.4 NC1COCC(C1)O MCULE-4181084305 [0,0,0,1,0,0|1,0,1]=3 1163 B8R1.4 NC1COCC(C1)O MCULE-5761305163 [0,0,0,1,0,0|1,0,1]=3 1164 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,1,0,0|2,0,0]=3 1165 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-2185895220 [0,0,0,1,0,0|2,0,1]=4 1166 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-6878512399 [0,0,0,1,0,0|2,0,1]=4 1167 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-7794771906 [0,0,0,1,0,0|2,0,1]=4 1168 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-9600913098 [0,0,0,1,0,0|2,0,1]=4 1169 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-3943542357 [0,0,0,1,0,0|2,0,1]=4 1170 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-7462583711 [0,0,0,1,0,0|2,0,1]=4 1171 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-8163415958 [0,0,0,1,0,0|2,0,1]=4 1172 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-9050533878 [0,0,0,1,0,0|2,0,1]=4 1173 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,1,0,0|3,0,0]=4 1174 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,1,0,0|1,0,0]=2 1175 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,1,0,0|1,0,0]=2 1176 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-2589345375 [0,0,0,1,0,0|1,0,1]=3 1177 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-5154891684 [0,0,0,1,0,0|1,0,1]=3 1178 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-1888308248 [0,0,0,1,0,0|1,0,1]=3 1179 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-4630509866 [0,0,0,1,0,0|1,0,1]=3 1180 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,1,0,0|2,0,0]=3 1181 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-2088777566 [0,0,0,1,0,0|2,0,1]=4 1182 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-6052884406 [0,0,0,1,0,0|2,0,1]=4 1183 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-7145455722 [0,0,0,1,0,0|2,0,1]=4 1184 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-8458598098 [0,0,0,1,0,0|2,0,1]=4 1185 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-1402442931 [0,0,0,1,0,0|2,0,1]=4 1186 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-2566868682 [0,0,0,1,0,0|2,0,1]=4 1187 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-8263508625 [0,0,0,1,0,0|2,0,1]=4 1188 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9158452946 [0,0,0,1,0,0|2,0,1]=4 1189 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9908500977 [0,0,0,1,0,0|2,0,1]=4 1190 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,1,0,0|3,0,0]=4 1191 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,1,0,0|3,0,0]=4 1192 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,1,0,0|3,0,0]=4 1193 B8R1.4 N[C@H]1COC[C@@H](C1)O MCULE-6168789714 [0,0,0,1,0,0|1,0,1]=3 1194 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-1887576189 [0,0,0,1,0,0|1,0,1]=3 1195 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-2203204142 [0,0,0,1,0,0|1,0,1]=3 1196 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,0,0,1,0,0|2,0,1]=4 1197 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,0,0,1,0,0|2,0,1]=4 1198 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,1,0,0|3,0,0]=4 1199 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,1,0,0|3,0,0]=4 1200 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,0,0,1,0,0|2,0,1]=4 1201 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,0,0,1,0,0|2,0,1]=4 1202 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,0,0,1,0,0|1,0,1]=3 1203 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,1,0,0|2,0,0]=3 1204 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,0,0,1,0,0|1,1,1]=4 1205 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,0,0,1,0,0|2,0,1]=4 1206 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,0,0,1,0,0|2,0,1]=4 1207 B8R1.4 OC1C=C(COC1)Br MCULE-4969292541 [0,0,0,1,0,0|3,0,0]=4 1208 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,1,0,0|3,0,0]=4 1209 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-1919170190 [0,0,0,1,0,0|2,0,1]=4 1210 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-2985238129 [0,0,0,1,0,0|2,0,1]=4 1211 B8R1.6 CCCC1CC(=O)C1 MCULE-8820429798 [0,0,0,1,0,0|3,0,0]=4 1212 B8R1.6 NCCC1CC(C1)O MCULE-6387064695 [0,0,0,1,0,0|2,0,1]=4 1213 B8R1.6 NCCC1CC(C1)O MCULE-9498169113 [0,0,0,1,0,0|2,0,1]=4 1214 B8R1.6 NCCN1CC(C1)O MCULE-7550458246 [0,0,0,1,0,0|2,0,1]=4 1215 B8R1.6 NCC[C@H]1C[C@H](C1)O MCULE-1788933104 [0,0,0,1,0,0|2,0,1]=4 1216 B8R1.6 NCC[C@H]1C[C@H](C1)O MCULE-5167300652 [0,0,0,1,0,0|2,0,1]=4 1217 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,0,0,1,0,0|2,0,0]=3 1218 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,0,0,1,0,0|2,0,0]=3 1219 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,0,0,1,0,0|3,0,0]=4 1220 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,0,0,1,0,0|3,0,0]=4 1221 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,0,0,1,0,0|3,0,0]=4 1222 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,0,0,1,0,0|3,0,0]=4 1223 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,0,0,1,0,0|2,0,0]=3 1224 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,0,0,1,0,0|2,0,0]=3 1225 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,0,0,1,0,0|2,0,0]=3 1226 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,0,0,1,0,0|1,1,0]=3 1227 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,0,0,1,0,0|1,1,0]=3 1228 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,0,0,1,0,0|2,0,0]=3 1229 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,0,0,1,0,0|2,0,0]=3 1230 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,0,0,1,0,0|2,0,0]=3 1231 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,0,0,1,0,0|2,0,0]=3 1232 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,0,0,1,0,0|2,0,0]=3 1233 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,0,0,1,0,0|2,0,0]=3 1234 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,0,0,1,0,0|2,0,0]=3 1235 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,0,0,1,0,0|2,0,0]=3 1236 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,0,0,1,0,0|2,0,0]=3 1237 B8R1.7 CC(C)C1NCCO1 MCULE-8813624423 [0,0,0,1,0,0|2,0,1]=4 1238 B8R1.7 CC(O)C1CCCO1 MCULE-2804362263 [0,0,0,1,0,0|2,0,1]=4 1239 B8R1.7 C[C@@H](O)[C@H]1CCCO1 MCULE-6393902221 [0,0,0,1,0,0|2,0,1]=4 1240 B8R1.7 C[C@H](O)C1CCCO1 MCULE-5402066981 [0,0,0,1,0,0|2,0,1]=4 1241 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5014228849 [0,0,0,1,0,0|2,0,1]=4 1242 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5063876687 [0,0,0,1,0,0|2,0,1]=4 1243 B8R1.7 C[C@H](O)[C@@H]1CCCO1 MCULE-3917713920 [0,0,0,1,0,0|2,0,1]=4 1244 B8R1.7 N=C(N)C1CCCN1 MCULE-3357684433 [0,0,0,1,0,0|3,0,0]=4 1245 B8R1.7 N=C(N)C1CCCN1 MCULE-7506606085 [0,0,0,1,0,0|3,0,0]=4 1246 B8R1.7 N=C(N)C1CCCO1 MCULE-1348627071 [0,0,0,1,0,0|3,0,0]=4 1247 B8R1.7 N=C(N)C1CCCO1 MCULE-4359589378 [0,0,0,1,0,0|3,0,0]=4 1248 B8R1.7 NC(=O)C1=NCCN1 MCULE-8784849906 [0,0,0,1,0,0|2,0,1]=4 1249 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,0,0,1,0,0|3,0,0]=4 1250 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,0,0,1,0,0|2,0,0]=3 1251 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,0,0,1,0,0|2,0,0]=3 1252 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,0,0,1,0,0|2,0,0]=3 1253 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [0,0,0,1,0,0|3,0,0]=4 1254 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [0,0,0,1,0,0|2,0,1]=4 1255 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [0,0,0,1,0,0|2,0,1]=4 1256 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [0,0,0,1,0,0|2,0,1]=4 1257 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [0,0,0,1,0,0|2,0,1]=4 1258 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,0,0,1,0,0|2,0,0]=3 1259 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,0,0,1,0,0|2,0,0]=3 1260 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,0,0,1,0,0|2,0,0]=3 1261 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,0,0,1,0,0|2,0,0]=3 1262 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,0,0,1,0,0|2,0,0]=3 1263 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,0,0,1,0,0|2,0,0]=3 1264 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,0,0,1,0,0|2,0,0]=3 1265 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,0,0,1,0,0|2,0,0]=3 1266 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,0,0,1,0,0|2,0,0]=3 1267 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,0,0,1,0,0|2,0,0]=3 1268 B8R1.7 NC(=S)C1CCCO1 MCULE-7906949480 [0,0,0,1,0,0|2,1,0]=4 1269 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,0,0,1,0,0|3,0,0]=4 1270 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,0,0,1,0,0|2,0,0]=3 1271 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,0,0,1,0,0|2,0,1]=4 1272 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,0,0,1,0,0|1,0,1]=3 1273 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,0,0,1,0,0|1,1,1]=4 1274 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,0,0,1,0,0|1,0,2]=4 1275 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,0,0,1,0,0|2,0,1]=4 1276 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,0,0,1,0,0|1,0,1]=3 1277 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,0,0,1,0,0|1,0,1]=3 1278 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,0,0,1,0,0|1,0,1]=3 1279 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,0,0,1,0,0|1,0,1]=3 1280 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,0,0,1,0,0|1,0,1]=3 1281 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [0,0,0,1,0,0|1,0,2]=4 1282 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,0,0,1,0,0|2,0,0]=3 1283 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,0,0,1,0,0|1,0,0]=2 1284 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,0,0,1,0,0|1,0,0]=2 1285 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,0,0,1,0,0|1,0,0]=2 1286 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,0,0,1,0,0|1,0,0]=2 1287 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,0,0,1,0,0|1,0,0]=2 1288 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,0,0,1,0,0|1,0,0]=2 1289 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,0,0,1,0,0|1,1,0]=3 1290 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,0,0,1,0,0|3,0,0]=4 1291 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,0,0,1,0,0|3,0,0]=4 1292 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,0,0,1,0,0|3,0,0]=4 1293 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,0,0,1,0,0|3,0,0]=4 1294 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,0,0,1,0,0|3,0,0]=4 1295 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,0,0,1,0,0|2,0,0]=3 1296 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,0,0,1,0,0|2,0,0]=3 1297 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,0,0,1,0,0|2,0,0]=3 1298 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,0,0,1,0,0|2,0,0]=3 1299 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,0,0,1,0,0|0,1,0]=2 1300 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [0,0,0,1,0,0|1,1,0]=3 1301 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,0,0,1,0,0|3,0,0]=4 1302 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,0,0,1,0,0|1,0,1]=3 1303 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,0,0,1,0,0|1,0,1]=3 1304 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,0,0,1,0,0|1,0,1]=3 1305 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,0,0,1,0,0|1,0,1]=3 1306 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,0,0,1,0,0|1,0,0]=2 1307 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,0,0,1,0,0|1,0,0]=2 1308 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,0,0,1,0,0|1,0,0]=2 1309 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,0,0,1,0,0|1,0,0]=2 1310 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,0,0,1,0,0|1,0,0]=2 1311 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,0,0,1,0,0|1,0,0]=2 1312 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,0,0,1,0,0|3,0,0]=4 1313 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,0,0,1,0,0|3,0,0]=4 1314 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,0,0,1,0,0|3,0,0]=4 1315 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,0,0,1,0,0|3,0,0]=4 1316 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,0,0,1,0,0|3,0,0]=4 1317 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,0,0,1,0,0|3,0,0]=4 1318 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,0,0,1,0,0|2,0,0]=3 1319 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,0,0,1,0,0|2,0,0]=3 1320 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,0,0,1,0,0|2,0,0]=3 1321 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,0,0,1,0,0|2,0,0]=3 1322 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,0,0,1,0,0|2,0,0]=3 1323 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,0,0,1,0,0|2,0,0]=3 1324 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,0,0,1,0,0|1,0,1]=3 1325 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,0,0,1,0,0|1,0,1]=3 1326 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,0,0,1,0,0|1,0,1]=3 1327 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,0,0,1,0,0|1,0,0]=2 1328 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,0,0,1,0,0|1,0,0]=2 1329 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,0,0,1,0,0|1,0,0]=2 1330 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,0,0,1,0,0|1,0,0]=2 1331 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,0,0,1,0,0|3,0,0]=4 1332 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,0,0,1,0,0|3,0,0]=4 1333 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,0,0,1,0,0|3,0,0]=4 1334 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,0,0,1,0,0|3,0,0]=4 1335 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,0,0,1,0,0|3,0,0]=4 1336 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,0,0,1,0,0|3,0,0]=4 1337 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,0,0,1,0,0|2,0,0]=3 1338 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,0,0,1,0,0|2,0,0]=3 1339 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,0,0,1,0,0|1,0,1]=3 1340 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,0,0,1,0,0|2,0,1]=4 1341 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,0,0,1,0,0|1,0,1]=3 1342 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,0,0,1,0,0|1,0,1]=3 1343 B8R1.7 OB(O)C1CCCN1 MCULE-5123578937 [0,0,0,1,0,0|2,0,1]=4 1344 B8R1.7 OB(O)C1CCCN1 MCULE-6072524963 [0,0,0,1,0,0|2,0,1]=4 1345 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,0,0,1,0,0|2,0,1]=4 1346 B8R1.19 CC1(CCCC1N)O MCULE-3396541731 [0,0,0,1,0,0|2,0,1]=4 1347 B8R1.19 CC1(COCC1N)C MCULE-7968039000 [0,0,0,1,0,0|2,0,1]=4 1348 B8R1.19 CC1(COCC1N)C MCULE-8618492637 [0,0,0,1,0,0|2,0,1]=4 1349 B8R1.19 CC1COCC1(C)O MCULE-8635665597 [0,0,0,1,0,0|2,0,1]=4 1350 B8R1.19 C[C@@H]1COC[C@]1(C)O MCULE-2882517612 [0,0,0,1,0,0|2,0,1]=4 1351 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-4508286005 [0,0,0,1,0,0|2,0,1]=4 1352 B8R1.19 C[C@@]1(CCC[C@@H]1N)O MCULE-9668737274 [0,0,0,1,0,0|2,0,1]=4 1353 B8R1.19 C[C@@]1(CCC[C@H]1N)O MCULE-2369187970 [0,0,0,1,0,0|2,0,1]=4 1354 B8R1.19 C[C@H]1COC[C@@]1(C)O MCULE-6225656472 [0,0,0,1,0,0|2,0,1]=4 1355 B8R1.19 C[C@]1(CCC[C@@H]1N)O MCULE-2644040109 [0,0,0,1,0,0|2,0,1]=4 1356 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-2446086306 [0,0,0,1,0,0|2,0,1]=4 1357 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-8959851594 [0,0,0,1,0,0|2,0,1]=4 1358 B8R1.19 C[C@]1(CCC[C@H]1N)O MCULE-9937788175 [0,0,0,1,0,0|2,0,1]=4 1359 B8R1.19 NC1COCC1(F)F MCULE-2010512577 [0,0,0,1,0,0|2,0,1]=4 1360 B8R1.19 NC1COCC1(F)F MCULE-5301593126 [0,0,0,1,0,0|2,0,1]=4 1361 B8R1.19 [C@@H]1(COC[C@@]1(C)O)C MCULE-5554336121 [0,0,0,1,0,0|2,0,1]=4 1362 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,0|2,0,0]=3 1363 B8R1.22 C=C1CNCCOC1 MCULE-6114191545 [0,0,0,1,0,0|2,0,0]=3 1364 B8R1.22 C=C1CNCCOC1 MCULE-6722705565 [0,0,0,1,0,0|2,0,0]=3 1365 B8R1.22 C=C1COCCOC1 MCULE-3194930888 [0,0,0,1,0,0|3,0,0]=4 1366 B8R1.22 CC1CNCCOC1 MCULE-3266198031 [0,0,0,1,0,0|2,0,1]=4 1367 B8R1.22 CC1CNCCOC1 MCULE-7683724120 [0,0,0,1,0,0|2,0,1]=4 1368 B8R1.22 NC1CNCCOC1 MCULE-6645165643 [0,0,0,1,0,0|2,0,1]=4 1369 B8R1.22 NC1CNCCOC1 MCULE-6897171234 [0,0,0,1,0,0|2,0,1]=4 1370 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,0,0,1,0,0|3,0,0]=4 1371 B8R1.22 O=C1CCCCCC1 MCULE-3507111924 [0,0,0,1,0,0|3,0,0]=4 1372 B8R1.22 O=C1CCCCCN1 MCULE-4544579564 [0,0,0,1,0,0|3,0,0]=4 1373 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [0,0,0,1,0,0|2,0,0]=3 1374 B8R1.22 O=C1CCCCNC1 MCULE-8257380915 [0,0,0,1,0,0|2,0,0]=3 1375 B8R1.22 O=C1CCCCNC1 MCULE-8344538815 [0,0,0,1,0,0|2,0,0]=3 1376 B8R1.22 O=C1CCOCCO1 MCULE-1433837187 [0,0,0,1,0,0|3,0,0]=4 1377 B8R1.22 O=C1CNCCCN1 MCULE-6106237928 [0,0,0,1,0,0|3,0,0]=4 1378 B8R1.22 O=C1CNCCCN1 MCULE-9943393784 [0,0,0,1,0,0|3,0,0]=4 1379 B8R1.22 O=C1CNCCNC1 MCULE-2450825992 [0,0,0,1,0,0|2,0,0]=3 1380 B8R1.22 O=C1CNCCNC1 MCULE-7379420394 [0,0,0,1,0,0|2,0,0]=3 1381 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [0,0,0,1,0,0|1,0,0]=2 1382 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [0,0,0,1,0,0|1,0,0]=2 1383 B8R1.22 O=C1COCCCN1 MCULE-1471963909 [0,0,0,1,0,0|2,0,0]=3 1384 B8R1.22 O=C1COCCOC1 MCULE-4481438739 [0,0,0,1,0,0|2,0,0]=3 1385 B8R1.22 O=C1CSCCSC1 MCULE-5039848738 [0,0,0,1,0,0|2,1,0]=4 1386 B8R1.22 O=C1OCCCCO1 MCULE-1107419276 [0,0,0,1,0,0|3,0,0]=4 1387 B8R1.22 OC1CCCCNC1 MCULE-1190427956 [0,0,0,1,0,0|2,0,1]=4 1388 B8R1.22 OC1CCCCNC1 MCULE-1421732173 [0,0,0,1,0,0|2,0,1]=4 1389 B8R1.22 OC1CNCCNC1 MCULE-8325443912 [0,0,0,1,0,0|2,0,1]=4 1390 B8R1.22 OC1CNCCNC1 MCULE-8846087954 [0,0,0,1,0,0|2,0,1]=4 1391 B8R1.22 OC1CNCCNC1 MCULE-9258760029 [0,0,0,1,0,0|2,0,1]=4 1392 B8R1.22 OC1CNCCNC1 MCULE-9598330332 [0,0,0,1,0,0|2,0,1]=4 1393 B8R1.22 OC1CNCCOC1 MCULE-2428391064 [0,0,0,1,0,0|1,0,1]=3 1394 B8R1.22 OC1CNCCOC1 MCULE-5528486665 [0,0,0,1,0,0|1,0,1]=3 1395 B8R1.22 OC1COCCOC1 MCULE-2284989485 [0,0,0,1,0,0|2,0,1]=4 1396 B8R1.22 O[C@@H]1CCCCNC1 MCULE-1012232836 [0,0,0,1,0,0|2,0,1]=4 1397 B8R1.22 O[C@@H]1CCCCNC1 MCULE-8021135676 [0,0,0,1,0,0|2,0,1]=4 1398 B8R1.22 O[C@@H]1CNCCOC1 MCULE-5133055470 [0,0,0,1,0,0|1,0,1]=3 1399 B8R1.22 O[C@@H]1CNCCOC1 MCULE-7942990292 [0,0,0,1,0,0|1,0,1]=3 1400 B8R1.22 O[C@H]1CCCCNC1 MCULE-3979929214 [0,0,0,1,0,0|2,0,1]=4 1401 B8R1.22 O[C@H]1CCCCNC1 MCULE-8051415954 [0,0,0,1,0,0|2,0,1]=4 1402 B8R1.22 O[C@H]1CNCCOC1 MCULE-6353150297 [0,0,0,1,0,0|1,0,1]=3 1403 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,0,0,1,0,0|3,0,0]=4 1404 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,0,0,1,0,0|2,0,1]=4 1405 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,0,0,1,0,0|3,0,0]=4 1406 B8R1.31 CC(C)C1OCC1N MCULE-3528951242 [0,0,0,1,0,0|2,0,1]=4 1407 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,0,0,1,0,0|2,0,0]=3 1408 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,0,0,1,0,0|2,0,0]=3 1409 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,0,0,1,0,0|3,0,0]=4 1410 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,0,0,1,0,0|3,0,0]=4 1411 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,0,0,1,0,0|3,0,0]=4 1412 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,0,0,1,0,0|3,0,0]=4 1413 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,0,0,1,0,0|3,0,0]=4 1414 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,0,0,1,0,0|3,0,0]=4 1415 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,0,0,1,0,0|2,0,0]=3 1416 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,0,0,1,0,0|2,0,0]=3 1417 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,0,0,1,0,0|3,0,0]=4 1418 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,0,0,1,0,0|3,0,0]=4 1419 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,0,0,1,0,0|1,0,0]=2 1420 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,0,0,1,0,0|1,0,0]=2 1421 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,0,0,1,0,0|1,0,0]=2 1422 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,0,0,1,0,0|1,0,0]=2 1423 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,0,0,1,0,0|1,0,0]=2 1424 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,0,0,1,0,0|1,0,0]=2 1425 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,0,0,1,0,0|1,0,0]=2 1426 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,0,0,1,0,0|1,0,0]=2 1427 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,0,0,1,0,0|1,0,0]=2 1428 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,0,0,1,0,0|1,0,0]=2 1429 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,0,0,1,0,0|1,0,0]=2 1430 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,0,0,1,0,0|1,0,0]=2 1431 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,0,0,1,0,0|2,0,0]=3 1432 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,0,0,1,0,0|2,0,0]=3 1433 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,0,0,1,0,0|2,0,0]=3 1434 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,0,0,1,0,0|2,0,0]=3 1435 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,0,0,1,0,0|1,0,0]=2 1436 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,0,0,1,0,0|1,0,0]=2 1437 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,0,0,1,0,0|1,0,0]=2 1438 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,0,0,1,0,0|1,0,0]=2 1439 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,0,0,1,0,0|2,0,0]=3 1440 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,0,0,1,0,0|3,0,0]=4 1441 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,0,0,1,0,0|3,0,0]=4 1442 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,0,0,1,0,0|2,0,1]=4 1443 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,0,0,1,0,0|2,0,0]=3 1444 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,0,0,1,0,0|1,0,0]=2 1445 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,0,0,1,0,0|2,0,0]=3 1446 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,0,0,1,0,0|3,0,0]=4 1447 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,0,0,1,0,0|3,0,0]=4 1448 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,0,0,1,0,0|3,0,0]=4 1449 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,0,0,1,0,0|3,0,0]=4 1450 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,0,0,1,0,0|3,0,0]=4 1451 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,0,0,1,0,0|2,0,0]=3 1452 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,0,0,1,0,0|2,0,0]=3 1453 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [0,0,0,1,0,0|3,0,0]=4 1454 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [0,0,0,1,0,0|3,0,0]=4 1455 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [0,0,0,1,0,0|3,0,0]=4 1456 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,0,0,1,0,0|2,0,1]=4 1457 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [0,0,0,1,0,0|2,0,1]=4 1458 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,0,0,1,0,0|2,0,1]=4 1459 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,0|2,0,0]=3 1460 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,0|2,0,0]=3 1461 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [0,0,0,1,0,0|2,0,1]=4 1462 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,0,1,0,0|2,0,0]=3 1463 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,0,1,0,0|2,0,0]=3 1464 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,0,1,0,0|1,0,0]=2 1465 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,0,1,0,0|1,1,0]=3 1466 B8R1.36 CCCOCC1CO1 MCULE-2437381651 [0,0,0,1,0,0|2,0,1]=4 1467 B8R1.36 ClCCOCC1CO1 MCULE-1693262105 [0,0,0,1,0,0|2,0,1]=4 1468 B8R1.36 NCCOCC1CC1 MCULE-4047349006 [0,0,0,1,0,0|2,0,1]=4 1469 B8R1.36 OCCOCC1CO1 MCULE-2516554733 [0,0,0,1,0,0|2,0,1]=4 1470 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,0,0,1,0,0|2,0,1]=4 1471 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,0,0,1,0,0|2,0,1]=4 1472 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,0,0,1,0,0|2,0,1]=4 1473 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,0,0,1,0,0|2,0,1]=4 1474 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,0,0,1,0,0|2,0,1]=4 1475 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,0,0,1,0,0|2,0,1]=4 1476 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,0,0,1,0,0|2,0,1]=4 1477 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,0,0,1,0,0|2,0,0]=3 1478 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,0,0,1,0,0|2,0,0]=3 1479 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,0,0,1,0,0|3,0,0]=4 1480 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,0,0,1,0,0|1,0,2]=4 1481 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,0,0,1,0,0|1,0,2]=4 1482 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,0,0,1,0,0|1,0,2]=4 1483 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,0,0,1,0,0|1,0,2]=4 1484 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,0,0,1,0,0|1,0,2]=4 1485 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,0,0,1,0,0|3,0,0]=4 1486 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,0,0,1,0,0|1,0,0]=2 1487 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,0,0,1,0,0|1,0,0]=2 1488 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,0,0,1,0,0|1,0,0]=2 1489 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,0,0,1,0,0|2,0,0]=3 1490 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,0,0,1,0,0|2,0,0]=3 1491 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,0,0,1,0,0|2,0,0]=3 1492 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,0,0,1,0,0|2,0,0]=3 1493 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,0,0,1,0,0|2,0,0]=3 1494 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,0,0,1,0,0|2,0,0]=3 1495 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,0,0,1,0,0|1,0,2]=4 1496 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,0,0,1,0,0|1,0,2]=4 1497 B8R1.48 CC1(COC1CN)C MCULE-1938901101 [0,0,0,1,0,0|2,0,1]=4 1498 B8R1.48 CC1(CO[C@H]1CN)C MCULE-7491661327 [0,0,0,1,0,0|2,0,1]=4 1499 B8R1.48 NCC1CCS1(=O)=O MCULE-7456939034 [0,0,0,1,0,0|2,0,1]=4 1500 B8R1.48 NCC1CCS1(=O)=O MCULE-7842168331 [0,0,0,1,0,0|2,0,1]=4 1501 B8R1.72 CC1(COCCN1)C MCULE-1637404959 [0,0,0,1,0,0|2,0,1]=4 1502 B8R1.72 CC1(COCCN1)C MCULE-4242032450 [0,0,0,1,0,0|2,0,1]=4 1503 B8R1.72 O=S1(=O)CCCCN1 MCULE-6296400181 [0,0,0,1,0,0|2,0,1]=4 1504 B8R1.72 O=S1(=O)COCCN1 MCULE-7383759320 [0,0,0,1,0,0|1,0,1]=3 1505 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 1506 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,2]=4 1507 B5R0.1 C=C(Br)COC MCULE-5349428431 [2,0,0,0,0,0|2,0,0]=4 1508 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|2,0,0]=4 1509 B5R0.1 C=C(C)CCN MCULE-4037025602 [2,0,0,0,0,0|2,0,0]=4 1510 B5R0.1 C=C(C)CCN MCULE-5001503744 [2,0,0,0,0,0|2,0,0]=4 1511 B5R0.1 C=C(C)CON MCULE-2773974323 [2,0,0,0,0,0|2,0,0]=4 1512 B5R0.1 C=C(C)CON MCULE-5978680243 [2,0,0,0,0,0|2,0,0]=4 1513 B5R0.1 C=C(C)OCC MCULE-5303468686 [2,0,0,0,0,0|2,0,0]=4 1514 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,2]=4 1515 B5R0.1 CC#CC(=O)O MCULE-9994142213 [2,0,0,0,0,0|0,0,2]=4 1516 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|2,0,0]=4 1517 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|2,0,0]=4 1518 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|1,0,0]=3 1519 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|1,0,0]=3 1520 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|2,0,0]=4 1521 B5R0.1 CC(=O)OCBr MCULE-9842804945 [2,0,0,0,0,0|2,0,0]=4 1522 B5R0.1 CC(=O)OCCl MCULE-6822222026 [2,0,0,0,0,0|2,0,0]=4 1523 B5R0.1 CC(O)CCN MCULE-6836791276 [2,0,0,0,0,0|1,0,1]=4 1524 B5R0.1 CC(O)CCN MCULE-7186260925 [2,0,0,0,0,0|1,0,1]=4 1525 B5R0.1 CC(O)CON MCULE-1051091134 [2,0,0,0,0,0|1,0,1]=4 1526 B5R0.1 CC(O)CON MCULE-6722092589 [2,0,0,0,0,0|1,0,1]=4 1527 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,2]=4 1528 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|1,0,1]=4 1529 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|2,0,0]=4 1530 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|2,0,0]=4 1531 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,0]=3 1532 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,0]=3 1533 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,0]=3 1534 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,0]=2 1535 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,1]=3 1536 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,1]=3 1537 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|1,1,0]=4 1538 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,0]=3 1539 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,1]=4 1540 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|1,0,1]=4 1541 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|1,0,1]=4 1542 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|1,0,1]=4 1543 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|1,0,1]=4 1544 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,1]=4 1545 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,1]=4 1546 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|2,0,0]=4 1547 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 1548 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|2,0,0]=4 1549 B5R0.1 CCOC(=N)C MCULE-3060267072 [2,0,0,0,0,0|2,0,0]=4 1550 B5R0.1 CCOC(=N)C MCULE-3943786182 [2,0,0,0,0,0|2,0,0]=4 1551 B5R0.1 CCOC(=N)N MCULE-3570858508 [2,0,0,0,0,0|2,0,0]=4 1552 B5R0.1 CCOC(=N)N MCULE-6061063856 [2,0,0,0,0,0|2,0,0]=4 1553 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|1,0,0]=3 1554 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|1,0,0]=3 1555 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|1,0,0]=3 1556 B5R0.1 CCOC(=S)C MCULE-3358897597 [2,0,0,0,0,0|1,1,0]=4 1557 B5R0.1 CCOC(=S)N MCULE-4649285010 [2,0,0,0,0,0|1,1,0]=4 1558 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [2,0,0,0,0,0|0,2,0]=4 1559 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [2,0,0,0,0,0|0,2,0]=4 1560 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [2,0,0,0,0,0|0,2,0]=4 1561 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|1,1,0]=4 1562 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|2,0,0]=4 1563 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|2,0,0]=4 1564 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|2,0,0]=4 1565 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|2,0,0]=4 1566 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|2,0,0]=4 1567 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|1,0,0]=3 1568 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|1,0,0]=3 1569 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|1,0,1]=4 1570 B5R0.1 CNOC(=O)C MCULE-1464426541 [2,0,0,0,0,0|2,0,0]=4 1571 B5R0.1 CNOC(=O)C MCULE-2976282666 [2,0,0,0,0,0|2,0,0]=4 1572 B5R0.1 COCC(=N)N MCULE-4711728356 [2,0,0,0,0,0|2,0,0]=4 1573 B5R0.1 COCC(=N)N MCULE-7163250467 [2,0,0,0,0,0|2,0,0]=4 1574 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|1,0,0]=3 1575 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|1,0,0]=3 1576 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|1,0,0]=3 1577 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|0,0,0]=2 1578 B5R0.1 COCC(=S)N MCULE-2046809269 [2,0,0,0,0,0|1,1,0]=4 1579 B5R0.1 COCC(C)O MCULE-4022733014 [2,0,0,0,0,0|1,0,1]=4 1580 B5R0.1 COCC(C)O MCULE-7513310960 [2,0,0,0,0,0|1,0,1]=4 1581 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [2,0,0,0,0,0|1,0,1]=4 1582 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [2,0,0,0,0,0|1,0,1]=4 1583 B5R0.1 COC[C@H](C)O MCULE-5908531683 [2,0,0,0,0,0|1,0,1]=4 1584 B5R0.1 COC[C@H](C)O MCULE-8619138238 [2,0,0,0,0,0|1,0,1]=4 1585 B5R0.1 CONC(=O)C MCULE-6601866630 [2,0,0,0,0,0|2,0,0]=4 1586 B5R0.1 CONC(=O)N MCULE-3063713861 [2,0,0,0,0,0|2,0,0]=4 1587 B5R0.1 CS(=O)CCN MCULE-6497874560 [2,0,0,0,0,0|2,0,0]=4 1588 B5R0.1 CS(=O)CCN MCULE-8275663766 [2,0,0,0,0,0|2,0,0]=4 1589 B5R0.1 CS(=O)CCN MCULE-8330490290 [2,0,0,0,0,0|2,0,0]=4 1590 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|1,1,0]=4 1591 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|1,1,0]=4 1592 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|1,1,0]=4 1593 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|0,1,0]=3 1594 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [2,0,0,0,0,0|1,0,1]=4 1595 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [2,0,0,0,0,0|1,0,1]=4 1596 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [2,0,0,0,0,0|1,0,1]=4 1597 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [2,0,0,0,0,0|1,0,1]=4 1598 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [2,0,0,0,0,0|1,0,1]=4 1599 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [2,0,0,0,0,0|1,0,1]=4 1600 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [2,0,0,0,0,0|1,0,1]=4 1601 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [2,0,0,0,0,0|1,0,1]=4 1602 B5R0.1 C[C@H](O)CON MCULE-4216605221 [2,0,0,0,0,0|1,0,1]=4 1603 B5R0.1 C[C@H](O)CON MCULE-9863094719 [2,0,0,0,0,0|1,0,1]=4 1604 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|0,0,2]=4 1605 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|2,0,0]=4 1606 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|2,0,0]=4 1607 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|2,0,0]=4 1608 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|2,0,0]=4 1609 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|1,0,0]=3 1610 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|1,0,0]=3 1611 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|1,0,0]=3 1612 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|0,0,0]=2 1613 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|0,0,0]=2 1614 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|0,0,0]=2 1615 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|0,0,1]=3 1616 B5R0.1 NCCN(=O)=O MCULE-8137427440 [2,0,0,0,0,0|1,0,1]=4 1617 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|1,0,0]=3 1618 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|1,0,0]=3 1619 B5R0.1 NNCC(=O)N MCULE-2794619708 [2,0,0,0,0,0|2,0,0]=4 1620 B5R0.1 NNCC(=O)N MCULE-6773156087 [2,0,0,0,0,0|2,0,0]=4 1621 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|1,0,0]=3 1622 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|1,0,0]=3 1623 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|0,0,0]=2 1624 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|0,0,0]=2 1625 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|0,0,0]=2 1626 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 1627 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 1628 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 1629 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [2,0,0,0,0,0|2,0,0]=4 1630 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,0]=3 1631 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,0]=3 1632 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,0]=3 1633 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,0]=3 1634 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|1,0,0]=3 1635 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|1,0,0]=3 1636 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|2,0,0]=4 1637 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|1,0,1]=4 1638 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,1]=4 1639 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,1]=4 1640 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|1,0,1]=4 1641 B5R0.2 C#CCCCN MCULE-3191305523 [2,0,0,0,0,0|1,0,1]=4 1642 B5R0.2 C#CCCCN MCULE-3259677872 [2,0,0,0,0,0|1,0,1]=4 1643 B5R0.2 C#CCOCC MCULE-1055202735 [2,0,0,0,0,0|1,0,1]=4 1644 B5R0.2 C/C=C/OCC MCULE-2891896400 [2,0,0,0,0,0|1,0,1]=4 1645 B5R0.2 C=C=CCCN MCULE-5814175873 [2,0,0,0,0,0|1,0,1]=4 1646 B5R0.2 C=C=CCCN MCULE-8177198091 [2,0,0,0,0,0|1,0,1]=4 1647 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|1,0,1]=4 1648 B5R0.2 C=CCCCBr MCULE-5027518679 [2,0,0,0,0,0|2,0,0]=4 1649 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|2,0,0]=4 1650 B5R0.2 C=CCCCCl MCULE-3877430809 [2,0,0,0,0,0|2,0,0]=4 1651 B5R0.2 C=CCCCI MCULE-8692831514 [2,0,0,0,0,0|2,0,0]=4 1652 B5R0.2 C=CCCCN MCULE-5787926547 [2,0,0,0,0,0|1,0,0]=3 1653 B5R0.2 C=CCCCN MCULE-7346989227 [2,0,0,0,0,0|1,0,0]=3 1654 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|2,0,0]=4 1655 B5R0.2 C=CCCON MCULE-3476228435 [2,0,0,0,0,0|2,0,0]=4 1656 B5R0.2 C=CCCON MCULE-9206052895 [2,0,0,0,0,0|2,0,0]=4 1657 B5R0.2 C=CCNCC MCULE-6987567673 [2,0,0,0,0,0|2,0,0]=4 1658 B5R0.2 C=CCNCC MCULE-8318544337 [2,0,0,0,0,0|2,0,0]=4 1659 B5R0.2 C=CCOC=O MCULE-4161785970 [2,0,0,0,0,0|1,0,1]=4 1660 B5R0.2 C=CCOCC MCULE-4363356618 [2,0,0,0,0,0|1,0,0]=3 1661 B5R0.2 C=CCOCCl MCULE-6656252526 [2,0,0,0,0,0|2,0,0]=4 1662 B5R0.2 C=CCONC MCULE-4537899476 [2,0,0,0,0,0|2,0,0]=4 1663 B5R0.2 C=CCONC MCULE-9645204142 [2,0,0,0,0,0|2,0,0]=4 1664 B5R0.2 C=CCSCC MCULE-3816911529 [2,0,0,0,0,0|1,1,0]=4 1665 B5R0.2 C=COCCC MCULE-4423853666 [2,0,0,0,0,0|1,0,1]=4 1666 B5R0.2 C=COCCCl MCULE-7782311030 [2,0,0,0,0,0|1,0,1]=4 1667 B5R0.2 C=COCCN MCULE-8052872924 [2,0,0,0,0,0|0,0,1]=3 1668 B5R0.2 C=COCCN MCULE-8496820259 [2,0,0,0,0,0|0,0,1]=3 1669 B5R0.2 C=COCCO MCULE-9383372818 [2,0,0,0,0,0|1,0,1]=4 1670 B5R0.2 CC#CCC=O MCULE-6071390808 [2,0,0,0,0,0|1,0,1]=4 1671 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|1,0,1]=4 1672 B5R0.2 CC=CCCN MCULE-5129102475 [2,0,0,0,0,0|1,0,1]=4 1673 B5R0.2 CC=CCCN MCULE-8500001929 [2,0,0,0,0,0|1,0,1]=4 1674 B5R0.2 CC=COCC MCULE-1473170404 [2,0,0,0,0,0|1,0,1]=4 1675 B5R0.2 CCC#CC=O MCULE-3889262436 [2,0,0,0,0,0|1,0,1]=4 1676 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|1,0,1]=4 1677 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|1,0,0]=3 1678 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|1,0,1]=4 1679 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|1,0,1]=4 1680 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|1,0,1]=4 1681 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|1,0,1]=4 1682 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|1,0,1]=4 1683 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|2,0,0]=4 1684 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|2,0,0]=4 1685 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|2,0,0]=4 1686 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|1,0,0]=3 1687 B5R0.2 CCCOCBr MCULE-3585683043 [2,0,0,0,0,0|2,0,0]=4 1688 B5R0.2 CCCOCC MCULE-9971916790 [2,0,0,0,0,0|1,0,1]=4 1689 B5R0.2 CCCOCCl MCULE-1932627202 [2,0,0,0,0,0|2,0,0]=4 1690 B5R0.2 CCNCCN MCULE-7854769899 [2,0,0,0,0,0|1,0,1]=4 1691 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|1,0,1]=4 1692 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|1,0,1]=4 1693 B5R0.2 CCO/C=C\Br MCULE-7396084973 [2,0,0,0,0,0|1,0,1]=4 1694 B5R0.2 CCOC=CBr MCULE-5241125671 [2,0,0,0,0,0|1,0,1]=4 1695 B5R0.2 CCOCC#N MCULE-6709940440 [2,0,0,0,0,0|1,0,1]=4 1696 B5R0.2 CCOCCBr MCULE-4818900555 [2,0,0,0,0,0|1,0,1]=4 1697 B5R0.2 CCOCCCl MCULE-1290576729 [2,0,0,0,0,0|1,0,1]=4 1698 B5R0.2 CCOCCI MCULE-1833092968 [2,0,0,0,0,0|1,0,1]=4 1699 B5R0.2 CCOCCN MCULE-1254431240 [2,0,0,0,0,0|0,0,1]=3 1700 B5R0.2 CCOCCN MCULE-4039110889 [2,0,0,0,0,0|0,0,1]=3 1701 B5R0.2 CCOCCN MCULE-4400456933 [2,0,0,0,0,0|0,0,1]=3 1702 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|0,0,1]=3 1703 B5R0.2 CCOCCS MCULE-3968740645 [2,0,0,0,0,0|0,1,1]=4 1704 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|0,1,0]=3 1705 B5R0.2 CCSCCN MCULE-3375644872 [2,0,0,0,0,0|0,1,1]=4 1706 B5R0.2 CCSCCN MCULE-4466279976 [2,0,0,0,0,0|0,1,1]=4 1707 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|0,1,1]=4 1708 B5R0.2 CNCCCN MCULE-1736081896 [2,0,0,0,0,0|2,0,0]=4 1709 B5R0.2 CNOCCN MCULE-3163962093 [2,0,0,0,0,0|1,0,1]=4 1710 B5R0.2 CNOCCN MCULE-7379538500 [2,0,0,0,0,0|1,0,1]=4 1711 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|2,0,0]=4 1712 B5R0.2 COCCCN MCULE-1421362990 [2,0,0,0,0,0|2,0,0]=4 1713 B5R0.2 COCCCN MCULE-4783132205 [2,0,0,0,0,0|2,0,0]=4 1714 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|2,0,0]=4 1715 B5R0.2 CSCCCN MCULE-1030938424 [2,0,0,0,0,0|2,0,0]=4 1716 B5R0.2 CSCCCN MCULE-4664984921 [2,0,0,0,0,0|2,0,0]=4 1717 B5R0.2 ClCCOCCl MCULE-7585684590 [2,0,0,0,0,0|2,0,0]=4 1718 B5R0.2 ClCOCCBr MCULE-6843473950 [2,0,0,0,0,0|2,0,0]=4 1719 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|0,0,2]=4 1720 B5R0.2 N#CCCCN MCULE-7159177087 [2,0,0,0,0,0|1,0,1]=4 1721 B5R0.2 N#CCCCN MCULE-8406710235 [2,0,0,0,0,0|1,0,1]=4 1722 B5R0.2 N#CCOC=O MCULE-4453241991 [2,0,0,0,0,0|0,0,2]=4 1723 B5R0.2 NCC#CCO MCULE-4844677613 [2,0,0,0,0,0|1,0,1]=4 1724 B5R0.2 NCC#CCO MCULE-9095239812 [2,0,0,0,0,0|1,0,1]=4 1725 B5R0.2 NCC=CCO MCULE-4993379992 [2,0,0,0,0,0|1,0,1]=4 1726 B5R0.2 NCCCCBr MCULE-7095299053 [2,0,0,0,0,0|1,0,1]=4 1727 B5R0.2 NCCCCBr MCULE-7716027825 [2,0,0,0,0,0|1,0,1]=4 1728 B5R0.2 NCCCCCl MCULE-8484381726 [2,0,0,0,0,0|1,0,1]=4 1729 B5R0.2 NCCCCCl MCULE-9917306082 [2,0,0,0,0,0|1,0,1]=4 1730 B5R0.2 NCCCCF MCULE-4260727945 [2,0,0,0,0,0|1,0,1]=4 1731 B5R0.2 NCCCCF MCULE-7716720921 [2,0,0,0,0,0|1,0,1]=4 1732 B5R0.2 NCCCCN MCULE-3098044935 [2,0,0,0,0,0|1,0,1]=4 1733 B5R0.2 NCCCCN MCULE-7898833229 [2,0,0,0,0,0|1,0,1]=4 1734 B5R0.2 NCCCCN MCULE-8029479697 [2,0,0,0,0,0|1,0,1]=4 1735 B5R0.2 NCCCCN MCULE-8509656776 [2,0,0,0,0,0|1,0,1]=4 1736 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|0,0,1]=3 1737 B5R0.2 NCCCCS MCULE-4353910418 [2,0,0,0,0,0|0,1,1]=4 1738 B5R0.2 NCCCCS MCULE-9812416858 [2,0,0,0,0,0|0,1,1]=4 1739 B5R0.2 NCCCNN MCULE-7657257572 [2,0,0,0,0,0|2,0,0]=4 1740 B5R0.2 NCCCON MCULE-1071170242 [2,0,0,0,0,0|2,0,0]=4 1741 B5R0.2 NCCCON MCULE-7767315563 [2,0,0,0,0,0|2,0,0]=4 1742 B5R0.2 NNCCCO MCULE-5557482626 [2,0,0,0,0,0|1,0,1]=4 1743 B5R0.2 NNCCCO MCULE-7351853032 [2,0,0,0,0,0|1,0,1]=4 1744 B5R0.2 NNCCCO MCULE-7919314403 [2,0,0,0,0,0|1,0,1]=4 1745 B5R0.2 NOCCCO MCULE-1072312935 [2,0,0,0,0,0|1,0,1]=4 1746 B5R0.2 NOCCCO MCULE-3715520109 [2,0,0,0,0,0|1,0,1]=4 1747 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|1,0,1]=4 1748 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|1,0,1]=4 1749 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,0]=3 1750 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,0]=3 1751 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,0]=3 1752 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,0]=3 1753 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|2,0,0]=4 1754 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|1,0,0]=3 1755 B5R0.2 OC=CCCBr MCULE-3964604828 [2,0,0,0,0,0|1,0,1]=4 1756 B5R0.2 OC=CCCBr MCULE-5728835735 [2,0,0,0,0,0|1,0,1]=4 1757 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,1]=4 1758 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,1]=4 1759 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,1]=4 1760 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,1]=4 1761 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|1,0,1]=4 1762 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|1,0,1]=4 1763 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|1,0,1]=4 1764 B5R0.2 OCCNCO MCULE-2141033453 [2,0,0,0,0,0|2,0,0]=4 1765 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [1,1,0,0,0,0|1,0,1]=4 1766 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|0,0,0]=2 1767 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,1,0,0,0,0|1,0,1]=4 1768 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,1,0,0,0,0|1,0,1]=4 1770 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,1,0,0,0,0|1,0,1]=4 1771 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [1,1,0,0,0,0|2,0,0]=4 1772 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [1,1,0,0,0,0|2,0,0]=4 1773 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [1,1,0,0,0,0|2,0,0]=4 1774 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [1,1,0,0,0,0|1,0,0]=3 1775 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [1,1,0,0,0,0|1,0,0]=3 1776 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [1,1,0,0,0,0|2,0,0]=4 1777 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [1,1,0,0,0,0|2,0,0]=4 1778 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,1,0,0,0,0|0,0,0]=2 1779 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,1,0,0,0,0|0,0,0]=2 1780 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [1,1,0,0,0,0|1,0,1]=4 1781 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [1,1,0,0,0,0|1,0,1]=4 1782 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [1,1,0,0,0,0|2,0,0]=4 1783 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|1,0,0]=3 1784 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [1,1,0,0,0,0|2,0,0]=4 1785 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [1,1,0,0,0,0|2,0,0]=4 1786 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,1,0,0,0,0|1,0,0]=3 1787 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,1,0,0,0,0|1,0,0]=3 1788 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [1,1,0,0,0,0|2,0,0]=4 1789 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [1,1,0,0,0,0|2,0,0]=4 1790 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,1,0,0,0,0|1,0,0]=3 1791 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,1,0,0,0,0|1,0,0]=3 1792 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [1,1,0,0,0,0|2,0,0]=4 1793 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|1,0,0]=3 1794 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [1,1,0,0,0,0|2,0,0]=4 1795 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [1,1,0,0,0,0|2,0,0]=4 1796 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,1,0,0,0,0|1,0,0]=3 1797 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,1,0,0,0,0|0,1,0]=3 1798 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,1,0,0,0,0|1,0,0]=3 1799 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,1,0,0,0,0|1,0,0]=3 1800 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,1,0,0,0,0|1,0,0]=3 1801 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,1,0,0,0,0|1,0,0]=3 1802 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,1,0,0,0,0|1,0,0]=3 1803 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,1,0,0,0,0|1,0,0]=3 1804 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,1,0,0,0,0|1,0,0]=3 1805 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,1,0,0,0,0|1,0,0]=3 1806 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,1,0,0,0,0|1,0,0]=3 1807 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,1,0,0,0,0|1,0,0]=3 1808 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,1,0,0,0,0|1,0,0]=3 1809 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,1,0,0,0,0|1,0,0]=3 1810 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,1,0,0,0,0|2,0,0]=4 1811 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [1,1,0,0,0,0|2,0,0]=4 1812 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [1,1,0,0,0,0|2,0,0]=4 1813 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [1,1,0,0,0,0|2,0,0]=4 1814 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,1,0,0,0,0|2,0,0]=4 1815 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [1,1,0,0,0,0|2,0,0]=4 1816 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,1,0,0,0,0|0,0,0]=2 1817 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,1,0,0,0,0|0,0,0]=2 1818 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,1,0,0,0,0|1,0,0]=3 1819 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,1,0,0,0,0|1,0,0]=3 1820 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,1,0,0,0,0|1,0,0]=3 1821 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,1,0,0,0,0|0,0,0]=2 1822 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,1,0,0,0,0|0,0,0]=2 1823 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|0,0,0]=2 1824 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [1,1,0,0,0,0|1,0,0]=3 1825 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [1,1,0,0,0,0|1,0,0]=3 1826 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,1,0,0,0,0|0,0,0]=2 1827 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,1,0,0,0,0|0,0,0]=2 1828 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|0,0,0]=2 1829 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|0,0,0]=2 1830 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,1,0,0,0,0|0,0,0]=2 1831 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,1,0,0,0,0|0,0,0]=2 1832 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|0,0,0]=2 1833 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|0,0,0]=2 1834 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,1,0,0,0,0|1,0,0]=3 1835 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,1,0,0,0,0|1,0,0]=3 1836 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,1,0,0,0,0|1,0,0]=3 1837 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,1,0,0,0,0|1,0,0]=3 1838 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [1,1,0,0,0,0|1,0,1]=4 1839 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,1,0,0,0,0|1,0,1]=4 1840 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,1,0,0,0,0|1,0,0]=3 1841 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,1,0,0,0,0|1,0,0]=3 1842 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [1,1,0,0,0,0|1,0,1]=4 1843 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [1,1,0,0,0,0|1,0,1]=4 1844 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [1,1,0,0,0,0|1,0,0]=3 1845 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [1,1,0,0,0,0|1,0,1]=4 1846 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [1,1,0,0,0,0|1,0,1]=4 1847 B7R0.3 C#CCOC(=O)OC MCULE-7912235498 [1,1,0,0,0,0|1,0,1]=4 1848 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|1,0,1]=4 1849 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,1,0,0,0,0|2,0,0]=4 1850 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [1,1,0,0,0,0|2,0,0]=4 1851 B7R0.3 C=CC(=O)NCCN MCULE-5552021639 [1,1,0,0,0,0|2,0,0]=4 1852 B7R0.3 C=CC(=O)NCCN MCULE-6417335153 [1,1,0,0,0,0|2,0,0]=4 1853 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [1,1,0,0,0,0|2,0,0]=4 1854 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [1,1,0,0,0,0|2,0,0]=4 1855 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [1,1,0,0,0,0|2,0,0]=4 1856 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [1,1,0,0,0,0|2,0,0]=4 1857 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [1,1,0,0,0,0|1,0,0]=3 1858 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [1,1,0,0,0,0|2,0,0]=4 1859 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [1,1,0,0,0,0|1,0,1]=4 1860 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [1,1,0,0,0,0|1,0,1]=4 1861 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [1,1,0,0,0,0|1,0,1]=4 1862 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [1,1,0,0,0,0|1,0,1]=4 1863 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|1,0,1]=4 1864 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [1,1,0,0,0,0|2,0,0]=4 1865 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [1,1,0,0,0,0|2,0,0]=4 1866 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [1,1,0,0,0,0|2,0,0]=4 1867 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [1,1,0,0,0,0|2,0,0]=4 1868 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [1,1,0,0,0,0|2,0,0]=4 1869 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [1,1,0,0,0,0|2,0,0]=4 1870 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [1,1,0,0,0,0|2,0,0]=4 1871 B7R0.3 CCC(O)CCCN MCULE-1491163174 [1,1,0,0,0,0|1,0,1]=4 1872 B7R0.3 CCC(O)CCCN MCULE-5150508895 [1,1,0,0,0,0|1,0,1]=4 1873 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [1,1,0,0,0,0|1,0,1]=4 1874 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,1,0,0,0,0|2,0,0]=4 1875 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [1,1,0,0,0,0|2,0,0]=4 1876 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [1,1,0,0,0,0|2,0,0]=4 1877 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [1,1,0,0,0,0|2,0,0]=4 1878 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [1,1,0,0,0,0|2,0,0]=4 1879 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [1,1,0,0,0,0|2,0,0]=4 1880 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [1,1,0,0,0,0|2,0,0]=4 1881 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [1,1,0,0,0,0|2,0,0]=4 1882 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [1,1,0,0,0,0|2,0,0]=4 1883 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [1,1,0,0,0,0|1,0,0]=3 1884 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [1,1,0,0,0,0|2,0,0]=4 1885 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [1,1,0,0,0,0|2,0,0]=4 1886 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [1,1,0,0,0,0|2,0,0]=4 1887 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [1,1,0,0,0,0|2,0,0]=4 1888 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [1,1,0,0,0,0|2,0,0]=4 1889 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [1,1,0,0,0,0|1,1,0]=4 1890 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [1,1,0,0,0,0|1,0,0]=3 1891 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [1,1,0,0,0,0|2,0,0]=4 1892 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [1,1,0,0,0,0|1,0,0]=3 1893 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [1,1,0,0,0,0|1,0,0]=3 1894 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [1,1,0,0,0,0|1,0,1]=4 1895 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [1,1,0,0,0,0|1,0,1]=4 1896 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [1,1,0,0,0,0|1,0,1]=4 1897 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [1,1,0,0,0,0|1,0,0]=3 1898 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [1,1,0,0,0,0|1,0,0]=3 1899 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [1,1,0,0,0,0|1,0,0]=3 1900 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [1,1,0,0,0,0|0,0,0]=2 1901 B7R0.3 CCOCC(C)CO MCULE-6831759423 [1,1,0,0,0,0|1,0,1]=4 1902 B7R0.3 CCOCC(N)CO MCULE-8546500751 [1,1,0,0,0,0|1,0,1]=4 1903 B7R0.3 CCOCC(O)CCl MCULE-5119359541 [1,1,0,0,0,0|1,0,1]=4 1904 B7R0.3 CCOCC(O)CN MCULE-2355759727 [1,1,0,0,0,0|1,0,1]=4 1905 B7R0.3 CCOCC(O)CO MCULE-2728952355 [1,1,0,0,0,0|0,0,2]=4 1906 B7R0.3 CCONC(=O)CN MCULE-8014418978 [1,1,0,0,0,0|2,0,0]=4 1907 B7R0.3 CCONC(=O)CN MCULE-9229677559 [1,1,0,0,0,0|2,0,0]=4 1908 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [1,1,0,0,0,0|1,1,0]=4 1909 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [1,1,0,0,0,0|0,1,0]=3 1910 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [1,1,0,0,0,0|2,0,0]=4 1911 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [1,1,0,0,0,0|1,0,0]=3 1912 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [1,1,0,0,0,0|1,0,0]=3 1913 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [1,1,0,0,0,0|2,0,0]=4 1914 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [1,1,0,0,0,0|2,0,0]=4 1915 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [1,1,0,0,0,0|2,0,0]=4 1916 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [1,1,0,0,0,0|2,0,0]=4 1917 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [1,1,0,0,0,0|2,0,0]=4 1918 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [1,1,0,0,0,0|2,0,0]=4 1919 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [1,1,0,0,0,0|2,0,0]=4 1920 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [1,1,0,0,0,0|1,0,0]=3 1921 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [1,1,0,0,0,0|1,0,0]=3 1922 B7R0.3 COC(=N)CCCCl MCULE-3704020642 [1,1,0,0,0,0|2,0,0]=4 1923 B7R0.3 COC(=N)CCCCl MCULE-6282500757 [1,1,0,0,0,0|2,0,0]=4 1924 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [1,1,0,0,0,0|0,0,2]=4 1925 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [1,1,0,0,0,0|0,0,2]=4 1926 B7R0.3 COC(=O)C#CCN MCULE-5567960811 [1,1,0,0,0,0|0,0,2]=4 1927 B7R0.3 COC(=O)C#CCN MCULE-9518684465 [1,1,0,0,0,0|0,0,2]=4 1928 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [1,1,0,0,0,0|0,0,2]=4 1929 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [1,1,0,0,0,0|0,0,2]=4 1930 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [1,1,0,0,0,0|0,0,2]=4 1931 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [1,1,0,0,0,0|0,0,2]=4 1932 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|1,0,1]=4 1933 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [1,1,0,0,0,0|1,0,0]=3 1934 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [1,1,0,0,0,0|1,0,0]=3 1935 B7R0.3 COC(=O)CCCI MCULE-6607823615 [1,1,0,0,0,0|1,0,0]=3 1936 B7R0.3 COC(=O)CCCN MCULE-2399653885 [1,1,0,0,0,0|0,0,0]=2 1937 B7R0.3 COC(=O)CCCN MCULE-7745643244 [1,1,0,0,0,0|0,0,0]=2 1938 B7R0.3 COC(=O)CCCO MCULE-6149839873 [1,1,0,0,0,0|1,0,0]=3 1939 B7R0.3 COC(=O)CCCS MCULE-6897052882 [1,1,0,0,0,0|1,0,0]=3 1940 B7R0.3 COC(=O)CCSC MCULE-8525618169 [1,1,0,0,0,0|2,0,0]=4 1941 B7R0.3 COC(=O)NCCN MCULE-4816806580 [1,1,0,0,0,0|1,0,0]=3 1942 B7R0.3 COC(=O)NCCN MCULE-9765640123 [1,1,0,0,0,0|1,0,0]=3 1943 B7R0.3 COC(=O)NCCO MCULE-7141835204 [1,1,0,0,0,0|2,0,0]=4 1944 B7R0.3 COCCC(=O)OC MCULE-5918489580 [1,1,0,0,0,0|2,0,0]=4 1945 B7R0.3 N=C(CCCBr)NO MCULE-4204101118 [1,1,0,0,0,0|2,0,0]=4 1946 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [1,1,0,0,0,0|2,0,0]=4 1947 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [1,1,0,0,0,0|2,0,0]=4 1948 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [1,1,0,0,0,0|2,0,0]=4 1949 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [1,1,0,0,0,0|2,0,0]=4 1950 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [1,1,0,0,0,0|2,0,0]=4 1951 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [1,1,0,0,0,0|2,0,0]=4 1952 B7R0.3 NNC(=O)OCCCl MCULE-1796161427 [1,1,0,0,0,0|2,0,0]=4 1953 B7R0.3 NNC(=O)OCCCl MCULE-3977269565 [1,1,0,0,0,0|2,0,0]=4 1954 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [1,1,0,0,0,0|2,0,0]=4 1955 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [1,1,0,0,0,0|2,0,0]=4 1956 B7R0.3 O=C(CCl)OCCCl MCULE-7706105725 [1,1,0,0,0,0|2,0,0]=4 1957 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,1,0,0,0,0|2,0,0]=4 1958 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,1,0,0,0,0|1,0,1]=4 1959 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [1,1,0,0,0,0|1,0,1]=4 1960 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,1,0,0,0,0|1,0,1]=4 1961 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,1,0,0,0,0|1,0,1]=4 1962 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,1,0,0,0,0|1,0,1]=4 1963 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,1,0,0,0,0|1,0,1]=4 1964 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,1,0,0,0,0|1,0,1]=4 1965 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,1,0,0,0,0|1,0,1]=4 1966 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,1,0,0,0,0|1,0,1]=4 1967 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,1,0,0,0,0|1,0,1]=4 1968 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,1,0,0,0,0|1,0,1]=4 1969 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,1,0,0,0,0|1,0,1]=4 1970 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,1,0,0,0,0|1,0,1]=4 1971 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,1,0,0,0,0|1,0,1]=4 1972 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,1,0,0,0,0|1,0,1]=4 1973 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,1,0,0,0,0|1,0,1]=4 1974 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,1,0,0,0,0|1,0,1]=4 1975 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,1,0,0,0,0|1,0,1]=4 1976 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,1,0,0,0,0|1,0,1]=4 1977 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,1,0,0,0,0|1,0,1]=4 1978 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,1,0,0,0,0|1,0,1]=4 1979 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,1,0,0,0,0|1,0,1]=4 1980 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,1,0,0,0,0|1,0,1]=4 1981 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,1,0,0,0,0|1,0,1]=4 1982 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,1,0,0,0,0|1,0,1]=4 1983 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,1,0,0,0,0|1,0,1]=4 1984 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,1,0,0,0,0|1,0,1]=4 1985 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,1,0,0,0,0|1,0,1]=4 1986 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,1,0,0,0,0|1,0,1]=4 1987 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,1,0,0,0,0|1,0,1]=4 1988 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,1,0,0,0,0|1,0,1]=4 1989 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,1,0,0,0,0|1,0,1]=4 1990 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,1,0,0,0,0|1,0,1]=4 1991 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,1,0,0,0,0|2,0,0]=4 1992 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,1,0,0,0,0|2,0,0]=4 1993 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,1,0,0,0,0|2,0,0]=4 1994 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [1,1,0,0,0,0|2,0,0]=4 1995 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,1,0,0,0,0|2,0,0]=4 1996 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [1,1,0,0,0,0|2,0,0]=4 1997 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [1,1,0,0,0,0|2,0,0]=4 1998 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [1,1,0,0,0,0|2,0,0]=4 1999 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,1,0,0,0,0|0,0,0]=2 2000 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,1,0,0,0,0|0,0,0]=2 2001 B7R0.5 CC(CCN)S(=O)C MCULE-4983155747 [1,1,0,0,0,0|2,0,0]=4 2002 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,1,0,0,0,0|2,0,0]=4 2003 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,1,0,0,0,0|1,0,0]=3 2004 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,1,0,0,0,0|1,0,1]=4 2005 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,1,0,0,0,0|1,0,1]=4 2006 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,1,0,0,0,0|1,0,1]=4 2007 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,1,0,0,0,0|1,0,1]=4 2008 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,1,0,0,0,0|1,0,1]=4 2009 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,1,0,0,0,0|1,0,1]=4 2010 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,1,0,0,0,0|1,0,1]=4 2011 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,1,0,0,0,0|2,0,0]=4 2012 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,1,0,0,0,0|1,0,0]=3 2013 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,1,0,0,0,0|2,0,0]=4 2014 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,1,0,0,0,0|2,0,0]=4 2015 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,1,0,0,0,0|2,0,0]=4 2016 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,1,0,0,0,0|1,0,0]=3 2017 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,1,0,0,0,0|1,0,0]=3 2018 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,1,0,0,0,0|1,0,0]=3 2019 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,1,0,0,0,0|2,0,0]=4 2020 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,1,0,0,0,0|2,0,0]=4 2021 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,1,0,0,0,0|1,0,0]=3 2022 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,1,0,0,0,0|1,0,0]=3 2023 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,1,0,0,0,0|1,0,0]=3 2024 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,1,0,0,0,0|2,0,0]=4 2025 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|1,0,0]=3 2026 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|1,0,0]=3 2027 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,1,0,0,0,0|1,0,0]=3 2028 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,1,0,0,0,0|1,0,0]=3 2029 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|1,0,0]=3 2030 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,1,0,0,0,0|1,0,0]=3 2031 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,1,0,0,0,0|2,0,0]=4 2032 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,1,0,0,0,0|2,0,0]=4 2033 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,1,0,0,0,0|2,0,0]=4 2034 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,1,0,0,0,0|2,0,0]=4 2035 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,1,0,0,0,0|1,0,0]=3 2036 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,1,0,0,0,0|1,0,0]=3 2037 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,1,0,0,0,0|1,0,0]=3 2038 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|1,0,0]=3 2039 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|1,0,0]=3 2040 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,1,0,0,0,0|1,0,1]=4 2041 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [1,1,0,0,0,0|2,0,0]=4 2042 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [1,1,0,0,0,0|2,0,0]=4 2043 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,1,0,0,0,0|1,0,0]=3 2044 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,1,0,0,0,0|1,0,0]=3 2045 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,1,0,0,0,0|1,0,0]=3 2046 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [1,1,0,0,0,0|1,0,1]=4 2047 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [1,1,0,0,0,0|1,0,1]=4 2048 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [1,1,0,0,0,0|1,0,1]=4 2049 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [1,1,0,0,0,0|0,0,1]=3 2050 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [1,1,0,0,0,0|0,0,2]=4 2051 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [1,1,0,0,0,0|1,0,1]=4 2052 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,1,0,0,0,0|0,0,0]=2 2053 B7R0.5 CCOC(C)C(=S)N MCULE-2027801148 [1,1,0,0,0,0|1,1,0]=4 2054 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,1,0,0,0,0|0,1,0]=3 2055 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,1,0,0,0,0|2,0,0]=4 2056 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,1,0,0,0,0|2,0,0]=4 2057 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,1,0,0,0,0|2,0,0]=4 2058 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,1,0,0,0,0|2,0,0]=4 2059 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,1,0,0,0,0|2,0,0]=4 2060 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,1,0,0,0,0|2,0,0]=4 2061 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,1,0,0,0,0|2,0,0]=4 2062 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,1,0,0,0,0|2,0,0]=4 2063 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,1,0,0,0,0|2,0,0]=4 2064 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,1,0,0,0,0|2,0,0]=4 2065 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,1,0,0,0,0|2,0,0]=4 2066 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,1,0,0,0,0|2,0,0]=4 2067 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,1,0,0,0,0|2,0,0]=4 2068 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,1,0,0,0,0|2,0,0]=4 2069 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,1,0,0,0,0|2,0,0]=4 2070 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,1,0,0,0,0|2,0,0]=4 2071 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,1,0,0,0,0|2,0,0]=4 2072 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,1,0,0,0,0|2,0,0]=4 2073 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,1,0,0,0,0|2,0,0]=4 2074 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,1,0,0,0,0|2,0,0]=4 2075 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,1,0,0,0,0|2,0,0]=4 2076 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,1,0,0,0,0|2,0,0]=4 2077 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,1,0,0,0,0|2,0,0]=4 2078 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,1,0,0,0,0|2,0,0]=4 2079 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,1,0,0,0,0|2,0,0]=4 2080 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,1,0,0,0,0|2,0,0]=4 2081 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,1,0,0,0,0|2,0,0]=4 2082 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,1,0,0,0,0|2,0,0]=4 2083 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,1,0,0,0,0|1,0,0]=3 2084 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,1,0,0,0,0|2,0,0]=4 2085 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,1,0,0,0,0|2,0,0]=4 2086 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,1,0,0,0,0|2,0,0]=4 2087 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,1,0,0,0,0|2,0,0]=4 2088 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,1,0,0,0,0|2,0,0]=4 2089 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,1,0,0,0,0|2,0,0]=4 2090 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,1,0,0,0,0|0,0,2]=4 2091 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,1,0,0,0,0|0,0,2]=4 2092 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,1,0,0,0,0|0,0,2]=4 2093 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [1,1,0,0,0,0|2,0,0]=4 2094 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,1,0,0,0,0|1,0,0]=3 2095 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,1,0,0,0,0|1,0,0]=3 2096 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,1,0,0,0,0|1,0,0]=3 2097 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,1,0,0,0,0|1,0,0]=3 2098 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,1,0,0,0,0|1,0,0]=3 2099 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,1,0,0,0,0|1,0,0]=3 2100 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,1,0,0,0,0|1,0,0]=3 2101 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,1,0,0,0,0|1,0,0]=3 2102 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,1,0,0,0,0|2,0,0]=4 2103 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,1,0,0,0,0|0,0,0]=2 2104 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,1,0,0,0,0|0,0,0]=2 2105 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,1,0,0,0,0|0,0,0]=2 2106 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,1,0,0,0,0|0,0,0]=2 2107 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,1,0,0,0,0|0,0,0]=2 2108 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,1,0,0,0,0|0,0,0]=2 2109 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,1,0,0,0,0|0,0,0]=2 2110 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,1,0,0,0,0|0,0,0]=2 2111 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,1,0,0,0,0|0,0,0]=2 2112 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|0,0,0]=2 2113 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|0,0,0]=2 2114 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,1,0,0,0,0|0,0,0]=2 2115 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,1,0,0,0,0|0,0,0]=2 2116 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,1,0,0,0,0|0,0,0]=2 2117 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,1,0,0,0,0|0,0,0]=2 2118 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|0,0,0]=2 2119 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,1,0,0,0,0|0,0,0]=2 2120 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,1,0,0,0,0|0,0,0]=2 2121 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,1,0,0,0,0|0,0,0]=2 2122 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,1,0,0,0,0|0,0,0]=2 2123 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,1,0,0,0,0|0,0,0]=2 2124 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,1,0,0,0,0|0,0,0]=2 2125 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,1,0,0,0,0|0,0,0]=2 2126 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,1,0,0,0,0|0,0,0]=2 2127 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,1,0,0,0,0|0,0,0]=2 2128 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|0,0,0]=2 2129 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|0,0,0]=2 2130 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,1,0,0,0,0|1,0,0]=3 2131 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,1,0,0,0,0|1,0,0]=3 2132 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,1,0,0,0,0|1,0,0]=3 2133 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,1,0,0,0,0|1,0,0]=3 2134 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,1,0,0,0,0|1,0,0]=3 2135 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,1,0,0,0,0|1,0,0]=3 2136 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,1,0,0,0,0|1,0,0]=3 2137 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,1,0,0,0,0|1,0,0]=3 2138 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,1,0,0,0,0|1,0,0]=3 2139 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,1,0,0,0,0|2,0,0]=4 2140 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,1,0,0,0,0|1,0,0]=3 2141 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,1,0,0,0,0|1,0,0]=3 2142 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,1,0,0,0,0|1,0,0]=3 2143 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,1,0,0,0,0|1,0,0]=3 2144 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,1,0,0,0,0|1,0,0]=3 2145 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,1,0,0,0,0|1,0,0]=3 2146 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [1,1,0,0,0,0|2,0,0]=4 2147 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [1,1,0,0,0,0|2,0,0]=4 2148 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [1,1,0,0,0,0|2,0,0]=4 2149 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,1,0,0,0,0|1,0,0]=3 2150 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|1,0,0]=3 2151 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,1,0,0,0,0|1,0,1]=4 2152 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,1,0,0,0,0|1,0,1]=4 2153 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|1,0,1]=4 2154 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [1,1,0,0,0,0|2,0,0]=4 2155 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [1,1,0,0,0,0|1,0,1]=4 2156 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,1,0,0,0,0|1,0,1]=4 2157 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,1,0,0,0,0|1,0,1]=4 2158 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,1,0,0,0,0|1,0,1]=4 2159 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|1,0,1]=4 2160 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|2,0,0]=4 2161 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,1,0,0,0,0|2,0,0]=4 2162 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [1,1,0,0,0,0|2,0,0]=4 2163 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [1,1,0,0,0,0|2,0,0]=4 2164 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [1,1,0,0,0,0|1,0,1]=4 2165 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [1,1,0,0,0,0|1,0,0]=3 2166 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [1,1,0,0,0,0|1,1,0]=4 2167 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,1,0,0,0,0|1,0,1]=4 2168 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [1,1,0,0,0,0|1,0,1]=4 2169 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,1,0,0,0,0|0,0,1]=3 2170 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [1,1,0,0,0,0|1,0,1]=4 2171 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [1,1,0,0,0,0|2,0,0]=4 2172 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [1,1,0,0,0,0|2,0,0]=4 2173 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [1,1,0,0,0,0|2,0,0]=4 2174 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,1,0,0,0,0|0,1,1]=4 2175 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [1,1,0,0,0,0|1,0,1]=4 2176 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [1,1,0,0,0,0|1,0,1]=4 2177 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [1,1,0,0,0,0|1,0,1]=4 2178 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [1,1,0,0,0,0|1,0,1]=4 2179 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,1,0,0,0,0|2,0,0]=4 2180 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|2,0,0]=4 2181 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,1,0,0,0,0|1,0,0]=3 2182 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [1,1,0,0,0,0|2,0,0]=4 2183 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [1,1,0,0,0,0|2,0,0]=4 2184 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [1,1,0,0,0,0|2,0,0]=4 2185 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [1,1,0,0,0,0|2,0,0]=4 2186 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [1,1,0,0,0,0|2,0,0]=4 2187 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|1,0,0]=3 2188 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|1,0,0]=3 2189 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [1,1,0,0,0,0|1,0,0]=3 2190 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,1,0,0,0,0|0,0,0]=2 2191 B7R0.6 CC(C)OCC(=S)N MCULE-8843903229 [1,1,0,0,0,0|1,1,0]=4 2192 B7R0.6 CC(C)OC[C@H](C)O MCULE-2195035455 [1,1,0,0,0,0|1,0,1]=4 2193 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,1,0,0,0,0|0,1,0]=3 2194 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,1,0,0,0,0|2,0,0]=4 2195 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,1,0,0,0,0|0,0,0]=2 2196 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,1,0,0,0,0|0,0,0]=2 2197 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [1,1,0,0,0,0|2,0,0]=4 2198 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [1,1,0,0,0,0|2,0,0]=4 2199 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|1,0,0]=3 2200 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|1,0,1]=4 2201 B7R0.6 CC(O)COC(C)C MCULE-3357280817 [1,1,0,0,0,0|1,0,1]=4 2202 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,1,0,0,0,0|1,0,0]=3 2203 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,1,0,0,0,0|2,0,0]=4 2204 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,1,0,0,0,0|2,0,0]=4 2205 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|2,0,0]=4 2206 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,1,0,0,0,0|0,0,0]=2 2207 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,1,0,0,0,0|0,0,0]=2 2208 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,1,0,0,0,0|0,0,0]=2 2209 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,1,0,0,0,0|0,0,0]=2 2210 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|1,0,0]=3 2211 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,1,0,0,0,0|0,0,0]=2 2212 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,1,0,0,0,0|0,0,0]=2 2213 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,1,0,0,0,0|2,0,0]=4 2214 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,1,0,0,0,0|2,0,0]=4 2215 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [1,1,0,0,0,0|1,0,1]=4 2216 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [1,1,0,0,0,0|1,0,1]=4 2217 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [1,1,0,0,0,0|0,1,1]=4 2218 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [1,1,0,0,0,0|0,1,1]=4 2219 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [1,1,0,0,0,0|1,0,1]=4 2220 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,1,0,0,0,0|0,0,1]=3 2221 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,1,0,0,0,0|1,0,1]=4 2222 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,1,0,0,0,0|0,1,1]=4 2223 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [1,1,0,0,0,0|1,0,1]=4 2224 B7R0.6 O=C(Cl)OCC(F)F MCULE-4977819635 [1,1,0,0,0,0|2,0,0]=4 2225 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,1,0,0,0,0|2,0,0]=4 2226 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,1,0,0,0,0|1,0,1]=4 2227 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,1,0,0,0,0|1,0,1]=4 2228 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,1,0,0,0,0|1,0,0]=3 2229 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,1,0,0,0,0|2,0,0]=4 2230 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [1,1,0,0,0,0|1,0,0]=3 2231 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [1,1,0,0,0,0|1,1,0]=4 2232 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,1,0,0,0,0|1,0,1]=4 2233 B7R0.8 CC(C)(O)CCCN MCULE-1661840780 [1,1,0,0,0,0|1,0,1]=4 2234 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [1,1,0,0,0,0|2,0,0]=4 2235 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [1,1,0,0,0,0|2,0,0]=4 2236 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [1,1,0,0,0,0|2,0,0]=4 2237 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [1,1,0,0,0,0|1,0,0]=3 2238 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [1,1,0,0,0,0|1,0,0]=3 2239 B7R0.8 CS(=O)(=O)CCCN MCULE-2348963019 [1,1,0,0,0,0|1,0,1]=4 2240 B7R0.8 CS(=O)(=O)CCCN MCULE-8313734317 [1,1,0,0,0,0|1,0,1]=4 2241 B7R0.8 CS(=O)(=S)OCCN MCULE-7727893446 [1,1,0,0,0,0|1,1,0]=4 2242 B7R0.8 CS(=O)(=S)OCCN MCULE-8197856093 [1,1,0,0,0,0|1,1,0]=4 2243 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [1,1,0,0,0,0|1,0,0]=3 2244 B7R0.8 NCCCS(=O)(=O)F MCULE-6138333013 [1,1,0,0,0,0|1,0,1]=4 2245 B7R0.8 NCCCS(=O)(=O)F MCULE-9025705422 [1,1,0,0,0,0|1,0,1]=4 2246 B7R0.8 NCCCS(=O)(=O)N MCULE-6072096680 [1,1,0,0,0,0|1,0,1]=4 2247 B7R0.8 NCCCS(=O)(=O)N MCULE-8587840230 [1,1,0,0,0,0|1,0,1]=4 2248 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [1,1,0,0,0,0|1,0,0]=3 2249 B7R0.8 NCCCS(=O)(=O)[O-] MCULE-5180999844 [1,1,0,0,0,0|1,0,1]=4 2250 B7R0.8 NCCC[Si](O)(O)O MCULE-9706812989 [1,1,0,0,0,0|0,1,1]=4 2251 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [1,1,0,0,0,0|1,0,0]=3 2252 B7R0.8 NCCOP(=O)([O-])[O-] MCULE-7319714248 [1,1,0,0,0,0|1,0,1]=4 2253 B7R0.8 NCCOS(=O)(=O)O MCULE-1813036738 [1,1,0,0,0,0|1,0,0]=3 2254 B7R0.8 NCCSS(=O)(=O)O MCULE-7796847391 [1,1,0,0,0,0|1,1,0]=4 2255 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [1,1,0,0,0,0|2,0,0]=4 2256 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [1,1,0,0,0,0|2,0,0]=4 2257 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [1,1,0,0,0,0|2,0,0]=4 2258 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [1,1,0,0,0,0|2,0,0]=4 2259 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [1,1,0,0,0,0|2,0,0]=4 2260 B7R0.8 O=S(=O)(O)OCCCl MCULE-4767434420 [1,1,0,0,0,0|2,0,0]=4 2261 B7R0.1 C#CCCCCC=O MCULE-2019630243 [1,1,0,0,0,0|2,0,0]=4 2262 B7R0.1 C#CCOCCCN MCULE-2240372630 [1,1,0,0,0,0|1,0,1]=4 2263 B7R0.1 C#CCOCCCN MCULE-8708564884 [1,1,0,0,0,0|1,0,1]=4 2264 B7R0.1 C#CCOCCNC MCULE-6696412694 [1,1,0,0,0,0|1,0,1]=4 2265 B7R0.1 C#CCOCCNC MCULE-9126717873 [1,1,0,0,0,0|1,0,1]=4 2266 B7R0.1 C#CCOCCON MCULE-9143099762 [1,1,0,0,0,0|1,0,1]=4 2267 B7R0.1 C=CCCCCC=O MCULE-6786275827 [1,1,0,0,0,0|2,0,0]=4 2268 B7R0.1 C=CCCCCCN MCULE-2913783474 [1,1,0,0,0,0|2,0,0]=4 2269 B7R0.1 C=CCCCCCN MCULE-9545708862 [1,1,0,0,0,0|2,0,0]=4 2270 B7R0.1 C=CCCCCNC MCULE-3676018759 [1,1,0,0,0,0|2,0,0]=4 2271 B7R0.1 C=CCCCCNC MCULE-9443600983 [1,1,0,0,0,0|2,0,0]=4 2272 B7R0.1 C=CCCCCON MCULE-1155744928 [1,1,0,0,0,0|2,0,0]=4 2273 B7R0.1 C=CCCCCON MCULE-1741904620 [1,1,0,0,0,0|2,0,0]=4 2274 B7R0.1 C=CCCOCCN MCULE-5958891740 [1,1,0,0,0,0|1,0,0]=3 2275 B7R0.1 C=CCCOCCO MCULE-5369849290 [1,1,0,0,0,0|1,0,1]=4 2276 B7R0.1 C=CCCSCCN MCULE-5541844264 [1,1,0,0,0,0|1,1,0]=4 2277 B7R0.1 C=CCOCCC=O MCULE-3332311483 [1,1,0,0,0,0|1,0,1]=4 2278 B7R0.1 C=CCOCCCBr MCULE-7892533278 [1,1,0,0,0,0|2,0,0]=4 2279 B7R0.1 C=CCOCCCC MCULE-2214755289 [1,1,0,0,0,0|2,0,0]=4 2280 B7R0.1 C=CCOCCCN MCULE-4862923195 [1,1,0,0,0,0|1,0,0]=3 2281 B7R0.1 C=CCOCCOC MCULE-7363927527 [1,1,0,0,0,0|2,0,0]=4 2282 B7R0.1 CCCCCCC=O MCULE-5251820425 [1,1,0,0,0,0|2,0,0]=4 2283 B7R0.1 CCCCCOC=O MCULE-2718009140 [1,1,0,0,0,0|2,0,0]=4 2284 B7R0.1 CCCCOCCN MCULE-1817743996 [1,1,0,0,0,0|1,0,1]=4 2285 B7R0.1 CCCCOCCN MCULE-3658840205 [1,1,0,0,0,0|1,0,1]=4 2286 B7R0.1 CCCCOCCO MCULE-1727546427 [1,1,0,0,0,0|1,0,1]=4 2287 B7R0.1 CCCCOCCO MCULE-4417721312 [1,1,0,0,0,0|1,0,1]=4 2288 B7R0.1 CCCOCCCN MCULE-5875738973 [1,1,0,0,0,0|1,0,1]=4 2289 B7R0.1 CNCCCCCO MCULE-2988249730 [1,1,0,0,0,0|1,0,1]=4 2290 B7R0.1 CNCCCCCO MCULE-8033733525 [1,1,0,0,0,0|1,0,1]=4 2291 B7R0.1 CNCCOCCCl MCULE-4700720996 [1,1,0,0,0,0|1,0,1]=4 2292 B7R0.1 CNCCOCCCl MCULE-6741879544 [1,1,0,0,0,0|1,0,1]=4 2293 B7R0.1 CNCCOCCN MCULE-8077914280 [1,1,0,0,0,0|1,0,1]=4 2294 B7R0.1 CNCCOCCO MCULE-7869540361 [1,1,0,0,0,0|0,0,1]=3 2295 B7R0.1 COCCCCCN MCULE-2109050097 [1,1,0,0,0,0|1,0,1]=4 2296 B7R0.1 COCCNCCN MCULE-4860380919 [1,1,0,0,0,0|1,0,1]=4 2297 B7R0.1 COCCNCCN MCULE-8558629867 [1,1,0,0,0,0|1,0,1]=4 2298 B7R0.1 COCCOCC=O MCULE-2621317944 [1,1,0,0,0,0|1,0,0]=3 2299 B7R0.1 COCCOCCBr MCULE-7766640443 [1,1,0,0,0,0|1,0,1]=4 2300 B7R0.1 COCCOCCCl MCULE-5502842762 [1,1,0,0,0,0|1,0,1]=4 2301 B7R0.1 COCCOCCI MCULE-4051748367 [1,1,0,0,0,0|1,0,1]=4 2302 B7R0.1 COCCOCCN MCULE-7016705271 [1,1,0,0,0,0|0,0,1]=3 2303 B7R0.1 COCCOCCO MCULE-4230242952 [1,1,0,0,0,0|1,0,1]=4 2304 B7R0.1 COCCOCCS MCULE-5015015605 [1,1,0,0,0,0|1,0,1]=4 2305 B7R0.1 COCOCCC=O MCULE-3632276453 [1,1,0,0,0,0|2,0,0]=4 2306 B7R0.1 COCOCCCN MCULE-4340598730 [1,1,0,0,0,0|2,0,0]=4 2307 B7R0.1 N#CCCOCCN MCULE-6674432245 [1,1,0,0,0,0|1,0,1]=4 2308 B7R0.1 N#CCCOCCN MCULE-8115918193 [1,1,0,0,0,0|1,0,1]=4 2309 B7R0.1 N#CCCOCCO MCULE-4006569384 [1,1,0,0,0,0|0,0,2]=4 2310 B7R0.1 NCCCCCCO MCULE-2264326846 [1,1,0,0,0,0|1,0,1]=4 2311 B7R0.1 NCCCNCCO MCULE-1084481336 [1,1,0,0,0,0|1,0,1]=4 2312 B7R0.1 NCCCOCCO MCULE-7244821044 [1,1,0,0,0,0|0,0,1]=3 2313 B7R0.1 NCCNCCCO MCULE-6476789217 [1,1,0,0,0,0|1,0,1]=4 2314 B7R0.1 NCCOCCCO MCULE-2435588099 [1,1,0,0,0,0|0,0,1]=3 2315 B7R0.1 NCCOCCCO MCULE-9188421727 [1,1,0,0,0,0|0,0,1]=3 2316 B7R0.1 NCCSCCCO MCULE-1578023056 [1,1,0,0,0,0|0,1,1]=4 2317 B7R0.1 NCCSSCCO MCULE-1512873976 [1,1,0,0,0,0|0,1,1]=4 2318 B7R0.1 NOCCOCCO MCULE-7815173940 [1,1,0,0,0,0|0,0,1]=3 2319 B7R0.1 O=CCCCCC=O MCULE-3751145550 [1,1,0,0,0,0|2,0,0]=4 2320 B7R0.1 O=CCCCCCBr MCULE-7014516847 [1,1,0,0,0,0|2,0,0]=4 2321 B7R0.1 O=CCCCCCCl MCULE-8269912560 [1,1,0,0,0,0|2,0,0]=4 2322 B7R0.1 O=CCCCCCF MCULE-8174281286 [1,1,0,0,0,0|2,0,0]=4 2323 B7R0.1 O=CCCCCCO MCULE-3978349845 [1,1,0,0,0,0|2,0,0]=4 2324 B7R0.1 O=CCCCCCO MCULE-4997016680 [1,1,0,0,0,0|2,0,0]=4 2325 B7R0.1 OCCCOCCCl MCULE-9172390990 [1,1,0,0,0,0|1,0,1]=4 2326 B7R0.1 OCCOCCCBr MCULE-3397483886 [1,1,0,0,0,0|1,0,1]=4 2327 B7R0.7 CC(CCN)CCO MCULE-7864092529 [1,1,0,0,0,0|1,0,1]=4 2328 B7R0.7 CN(CCN)CCO MCULE-2960427748 [1,1,0,0,0,0|1,0,1]=4 2329 B9R0.4 C#CCCN(C)CC(=O)O MCULE-2368300215 [0,2,0,0,0,0|2,0,0]=4 2330 B9R0.4 C#CCCN(C)CC(=O)O MCULE-3491335280 [0,2,0,0,0,0|2,0,0]=4 2331 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,2,0,0,0,0|2,0,0]=4 2332 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,2,0,0,0,0|2,0,0]=4 2333 B9R0.4 CC(=O)CC(=O)OCCO MCULE-4808732225 [0,2,0,0,0,0|2,0,0]=4 2334 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [0,2,0,0,0,0|2,0,0]=4 2335 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,2,0,0,0,0|2,0,0]=4 2336 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,2,0,0,0,0|2,0,0]=4 2337 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,2,0,0,0,0|2,0,0]=4 2338 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,2,0,0,0,0|2,0,0]=4 2339 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,2,0,0,0,0|2,0,0]=4 2340 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,2,0,0,0,0|2,0,0]=4 2341 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,2,0,0,0,0|2,0,0]=4 2342 B9R0.4 CCCOC(=O)CC(=O)C MCULE-3887940392 [0,2,0,0,0,0|2,0,0]=4 2343 B9R0.4 CN(CCC#N)CC(=O)O MCULE-1515172721 [0,2,0,0,0,0|1,0,1]=4 2344 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [0,2,0,0,0,0|2,0,0]=4 2345 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [0,2,0,0,0,0|2,0,0]=4 2346 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,2,0,0,0,0|2,0,0]=4 2347 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,2,0,0,0,0|2,0,0]=4 2348 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,2,0,0,0,0|2,0,0]=4 2349 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,2,0,0,0,0|2,0,0]=4 2350 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,2,0,0,0,0|2,0,0]=4 2351 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,2,0,0,0,0|2,0,0]=4 2352 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,2,0,0,0,0|2,0,0]=4 2353 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,2,0,0,0,0|2,0,0]=4 2355 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,2,0,0,0,0|2,0,0]=4 2356 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,2,0,0,0,0|2,0,0]=4 2357 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,2,0,0,0,0|1,0,0]=3 2358 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,2,0,0,0,0|1,0,0]=3 2359 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,2,0,0,0,0|1,0,0]=3 2360 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,2,0,0,0,0|1,0,0]=3 2361 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,2,0,0,0,0|1,0,0]=3 2362 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,2,0,0,0,0|2,0,0]=4 2363 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,2,0,0,0,0|2,0,0]=4 2364 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,2,0,0,0,0|2,0,0]=4 2365 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,2,0,0,0,0|2,0,0]=4 2366 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,2,0,0,0,0|2,0,0]=4 2367 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [0,2,0,0,0,0|2,0,0]=4 2368 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,2,0,0,0,0|2,0,0]=4 2369 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,2,0,0,0,0|2,0,0]=4 2370 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,2,0,0,0,0|2,0,0]=4 2371 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,2,0,0,0,0|2,0,0]=4 2372 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,2,0,0,0,0|2,0,0]=4 2373 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,2,0,0,0,0|2,0,0]=4 2374 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,2,0,0,0,0|2,0,0]=4 2375 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,2,0,0,0,0|2,0,0]=4 2376 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,2,0,0,0,0|2,0,0]=4 2377 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,2,0,0,0,0|2,0,0]=4 2378 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,2,0,0,0,0|2,0,0]=4 2379 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,2,0,0,0,0|2,0,0]=4 2380 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,2,0,0,0,0|2,0,0]=4 2381 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,2,0,0,0,0|1,0,1]=4 2382 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,2,0,0,0,0|2,0,0]=4 2383 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,2,0,0,0,0|2,0,0]=4 2384 B9R0.34 CCCC(=O)CC(=O)OC MCULE-2510974701 [0,2,0,0,0,0|2,0,0]=4 2385 B9R0.34 CCCC(N)CC(=O)OC MCULE-5451525631 [0,2,0,0,0,0|2,0,0]=4 2386 B9R0.34 CCCC(N)CC(=O)OC MCULE-7351529051 [0,2,0,0,0,0|2,0,0]=4 2387 B9R0.34 CCCC(O)CC(=O)OC MCULE-5453080247 [0,2,0,0,0,0|2,0,0]=4 2388 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-1916315590 [0,2,0,0,0,0|2,0,0]=4 2389 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-6083487116 [0,2,0,0,0,0|2,0,0]=4 2390 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-7324647206 [0,2,0,0,0,0|2,0,0]=4 2391 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-8276275492 [0,2,0,0,0,0|2,0,0]=4 2392 B9R0.34 CCC[C@H](O)CC(=O)OC MCULE-6660623319 [0,2,0,0,0,0|2,0,0]=4 2393 B9R0.34 COC(=O)CC(=O)CCO MCULE-6784952769 [0,2,0,0,0,0|2,0,0]=4 2394 B9R0.34 COC(=O)CS(=O)CCCl MCULE-2731283159 [0,2,0,0,0,0|1,1,0]=4 2395 B9R0.34 [C@@H](O)(CCC)CC(=O)OC MCULE-5886148746 [0,2,0,0,0,0|2,0,0]=4 2396 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,2,0,0,0,0|2,0,0]=4 2397 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,2,0,0,0,0|2,0,0]=4 2398 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,2,0,0,0,0|2,0,0]=4 2400 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,2,0,0,0,0|2,0,0]=4 2401 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,2,0,0,0,0|2,0,0]=4 2402 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,2,0,0,0,0|2,0,0]=4 2403 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,2,0,0,0,0|2,0,0]=4 2404 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,2,0,0,0,0|2,0,0]=4 2405 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,2,0,0,0,0|2,0,0]=4 2406 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,2,0,0,0,0|2,0,0]=4 2407 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,2,0,0,0,0|2,0,0]=4 2408 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,2,0,0,0,0|2,0,0]=4 2409 B9R0.58 CC(O)(CCO)CC(=O)O MCULE-1728546222 [0,2,0,0,0,0|2,0,0]=4 2410 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,2,0,0,0,0|2,0,0]=4 2411 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,2,0,0,0,0|2,0,0]=4 2412 B9R0.58 CCCS(=O)(=O)CC(=O)O MCULE-2673302591 [0,2,0,0,0,0|1,1,0]=4 2413 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-1986337120 [0,2,0,0,0,0|2,0,0]=4 2414 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-8476600793 [0,2,0,0,0,0|2,0,0]=4 2415 B9R0.58 O=C(O)CS(=O)(=O)CCO MCULE-3180738518 [0,2,0,0,0,0|1,1,0]=4 2416 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,2,0,0,0,0|2,0,0]=4 2417 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,2,0,0,0,0|2,0,0]=4 2418 B9R0.1 CCC(C)OCCC(=O)C MCULE-5228891169 [0,2,0,0,0,0|2,0,0]=4 2419 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,2,0,0,0,0|1,0,1]=4 2420 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,2,0,0,0,0|0,0,1]=3 2421 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [0,2,0,0,0,0|1,0,1]=4 2422 B9R0.1 COC(=O)CNCC(C)C MCULE-6522627999 [0,2,0,0,0,0|2,0,0]=4 2423 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,2,0,0,0,0|1,0,1]=4 2424 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,2,0,0,0,0|1,0,1]=4 2425 B9R0.1 C[C@@H](N)COC[C@H](O)CCl MCULE-1215329842 [0,2,0,0,0,0|1,0,1]=4 2426 B9R0.1 C[C@@H](N)COC[C@H](O)CCl MCULE-1680848350 [0,2,0,0,0,0|1,0,1]=4 2427 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,2,0,0,0,0|1,0,0]=3 2428 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,2,0,0,0,0|1,0,0]=3 2429 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,2,0,0,0,0|0,0,1]=3 2430 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,2,0,0,0,0|2,0,0]=4 2431 B9R0.5 C=CCOCC(=O)OCC MCULE-4979218308 [0,2,0,0,0,0|1,0,1]=4 2432 B9R0.5 C=COC(=O)CCCCC MCULE-9610448604 [0,2,0,0,0,0|2,0,0]=4 2433 B9R0.5 CCCCCC(=O)OCC MCULE-5403677128 [0,2,0,0,0,0|2,0,0]=4 2434 B9R0.5 CCCNCC(=O)OCC MCULE-1614665340 [0,2,0,0,0,0|2,0,0]=4 2435 B9R0.5 CCOC(=O)CCCCBr MCULE-9188586817 [0,2,0,0,0,0|2,0,0]=4 2436 B9R0.5 CCOC(=O)CCCCCl MCULE-8211485770 [0,2,0,0,0,0|2,0,0]=4 2437 B9R0.5 CCOC(=O)CCCCI MCULE-9427602912 [0,2,0,0,0,0|2,0,0]=4 2438 B9R0.5 CCOC(=O)CCCCN MCULE-3254365356 [0,2,0,0,0,0|1,0,0]=3 2439 B9R0.5 CCOC(=O)CCCCN MCULE-6113178932 [0,2,0,0,0,0|1,0,0]=3 2440 B9R0.5 CCOC(=O)CCCCO MCULE-3157415426 [0,2,0,0,0,0|2,0,0]=4 2441 B9R0.5 CCOC(=O)CNCCN MCULE-5162250475 [0,2,0,0,0,0|1,0,0]=3 2442 B9R0.5 CCOC(=O)CNCCN MCULE-6793281928 [0,2,0,0,0,0|1,0,0]=3 2443 B9R0.5 CCOC(=O)COCCBr MCULE-4604862482 [0,2,0,0,0,0|1,0,0]=3 2444 B9R0.5 CCOC(=O)COCCCl MCULE-9218281344 [0,2,0,0,0,0|1,0,0]=3 2445 B9R0.5 CCOC(=O)COCCI MCULE-7705777158 [0,2,0,0,0,0|1,0,0]=3 2446 B9R0.5 CCOC(=O)COCCN MCULE-7738890913 [0,2,0,0,0,0|0,0,0]=2 2447 B9R0.5 CCOC(=O)COCCN MCULE-8436568303 [0,2,0,0,0,0|0,0,0]=2 2448 B9R0.5 CCOC(=O)COCOC MCULE-9141216887 [0,2,0,0,0,0|2,0,0]=4 2449 B9R0.5 CCOC(=O)CSCCN MCULE-9316167874 [0,2,0,0,0,0|0,1,0]=3 2450 B9R0.5 NCCCNC(=O)C=NO MCULE-2287287416 [0,2,0,0,0,0|2,0,0]=4 2451 B9R0.5 NCCCNC(=O)C=NO MCULE-3869311918 [0,2,0,0,0,0|2,0,0]=4 2452 B9R0.8 C#CCO[C@H](C)C(=O)OC MCULE-6115298525 [0,2,0,0,0,0|1,0,1]=4 2453 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [0,2,0,0,0,0|1,0,0]=3 2454 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [0,2,0,0,0,0|1,0,0]=3 2455 B9R0.8 C=CCOC(C)C(=O)OC MCULE-2217869985 [0,2,0,0,0,0|1,0,1]=4 2456 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [0,2,0,0,0,0|2,0,0]=4 2457 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,2,0,0,0,0|2,0,0]=4 2458 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,2,0,0,0,0|2,0,0]=4 2459 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [0,2,0,0,0,0|2,0,0]=4 2460 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,2,0,0,0,0|2,0,0]=4 2461 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,2,0,0,0,0|2,0,0]=4 2462 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,2,0,0,0,0|2,0,0]=4 2463 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,2,0,0,0,0|2,0,0]=4 2464 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,2,0,0,0,0|2,0,0]=4 2465 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,2,0,0,0,0|2,0,0]=4 2466 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,2,0,0,0,0|2,0,0]=4 2467 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,2,0,0,0,0|2,0,0]=4 2468 B9R0.8 CCCNC(C)C(=O)OC MCULE-6800510102 [0,2,0,0,0,0|2,0,0]=4 2469 B9R0.8 COC(=O)C(Br)CCCBr MCULE-5582617448 [0,2,0,0,0,0|2,0,0]=4 2470 B9R0.8 COC(=O)C(Br)CCCCl MCULE-9987054323 [0,2,0,0,0,0|2,0,0]=4 2471 B9R0.8 COC(=O)C(C)NCCF MCULE-3281749935 [0,2,0,0,0,0|2,0,0]=4 2472 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [0,2,0,0,0,0|1,0,0]=3 2473 B9R0.8 COC(=O)C(O)CCCBr MCULE-5891554758 [0,2,0,0,0,0|2,0,0]=4 2474 B9R0.8 COC(=O)N(C)CCCN MCULE-4167608498 [0,2,0,0,0,0|2,0,0]=4 2475 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [0,2,0,0,0,0|1,0,0]=3 2476 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [0,2,0,0,0,0|1,0,0]=3 2477 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [0,2,0,0,0,0|1,0,0]=3 2478 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [0,2,0,0,0,0|1,0,0]=3 2479 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [0,2,0,0,0,0|1,0,0]=3 2480 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [0,2,0,0,0,0|1,0,0]=3 2481 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [0,2,0,0,0,0|1,0,0]=3 2482 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [0,2,0,0,0,0|1,0,0]=3 2483 B9R0.24 CCC(C)NCC(=O)OC MCULE-5997453349 [0,2,0,0,0,0|2,0,0]=4 2484 B9R0.24 CCC(C)SCC(=O)OC MCULE-7927875176 [0,2,0,0,0,0|1,1,0]=4 2485 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [0,2,0,0,0,0|2,0,0]=4 2486 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [0,2,0,0,0,0|2,0,0]=4 2487 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,2,0,0,0,0|1,0,1]=4 2488 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,2,0,0,0,0|1,0,1]=4 2489 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,2,0,0,0,0|1,0,1]=4 2490 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,2,0,0,0,0|1,0,1]=4 2491 B9R0.46 C#CCCCCC(=O)OC MCULE-4261649689 [0,2,0,0,0,0|2,0,0]=4 2492 B9R0.46 C=CCCCCC(=O)OC MCULE-7317556908 [0,2,0,0,0,0|2,0,0]=4 2493 B9R0.46 C=CCCNCC(=O)OC MCULE-1793995699 [0,2,0,0,0,0|2,0,0]=4 2494 B9R0.46 C=CCCNCC(=O)OC MCULE-4679984261 [0,2,0,0,0,0|2,0,0]=4 2495 B9R0.46 CCCCCCC(=O)NO MCULE-7308576516 [0,2,0,0,0,0|2,0,0]=4 2496 B9R0.46 CCCCCCC(=O)OC MCULE-7883111323 [0,2,0,0,0,0|2,0,0]=4 2497 B9R0.46 CCCCSCC(=O)OC MCULE-1208944064 [0,2,0,0,0,0|1,1,0]=4 2498 B9R0.46 CCCNCCC(=O)OC MCULE-4786941347 [0,2,0,0,0,0|2,0,0]=4 2499 B9R0.46 CCNCCCC(=O)OC MCULE-1330024068 [0,2,0,0,0,0|2,0,0]=4 2500 B9R0.46 CCNCCCC(=O)OC MCULE-1608160566 [0,2,0,0,0,0|2,0,0]=4 2501 B9R0.46 CNCCCCC(=O)OC MCULE-3479794664 [0,2,0,0,0,0|1,0,0]=3 2502 B9R0.46 CNCCCCC(=O)OC MCULE-3875784281 [0,2,0,0,0,0|1,0,0]=3 2503 B9R0.46 COC(=O)CCCCC=O MCULE-6810055406 [0,2,0,0,0,0|2,0,0]=4 2504 B9R0.46 COC(=O)CCCCCBr MCULE-5661009403 [0,2,0,0,0,0|2,0,0]=4 2505 B9R0.46 COC(=O)CCCCCCl MCULE-2967199349 [0,2,0,0,0,0|2,0,0]=4 2506 B9R0.46 COC(=O)CCCCCI MCULE-6638103547 [0,2,0,0,0,0|2,0,0]=4 2507 B9R0.46 COC(=O)CCCCCN MCULE-9013585398 [0,2,0,0,0,0|1,0,0]=3 2508 B9R0.46 COC(=O)CCCCCN MCULE-9184696999 [0,2,0,0,0,0|1,0,0]=3 2509 B9R0.46 COC(=O)CCCCCO MCULE-6405405706 [0,2,0,0,0,0|2,0,0]=4 2510 B9R0.46 COC(=O)CCCCCS MCULE-3886120866 [0,2,0,0,0,0|2,0,0]=4 2511 B9R0.46 COC(=O)CCNCCO MCULE-8673898296 [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.46 COC(=O)CCNCCO MCULE-9372452891 [0,2,0,0,0,0|2,0,0]=4 2513 B9R0.46 COC(=O)CCOCCO MCULE-2103874995 [0,2,0,0,0,0|1,0,0]=3 2514 B9R0.46 COC(=O)CCSCCBr MCULE-9094494560 [0,2,0,0,0,0|1,1,0]=4 2515 B9R0.46 COC(=O)CNCCC#N MCULE-4050903225 [0,2,0,0,0,0|1,0,1]=4 2516 B9R0.46 COC(=O)CNCCC#N MCULE-9042406912 [0,2,0,0,0,0|1,0,1]=4 2517 B9R0.46 COC(=O)COCCCBr MCULE-4809392864 [0,2,0,0,0,0|1,0,0]=3 2518 B9R0.46 COC(=O)CSCCCCl MCULE-4673663390 [0,2,0,0,0,0|1,1,0]=4 2519 B9R0.46 COC(=O)CSSCCO MCULE-3590920745 [0,2,0,0,0,0|1,1,0]=4 2520 B9R0.46 COCCCCC(=O)OC MCULE-9886328481 [0,2,0,0,0,0|2,0,0]=4 2521 B9R0.46 COCCNCC(=O)OC MCULE-2601282680 [0,2,0,0,0,0|2,0,0]=4 2522 B9R0.46 COCCOCC(=O)NN MCULE-9758661178 [0,2,0,0,0,0|2,0,0]=4 2523 B9R0.46 COCCOCC(=O)OC MCULE-4614657424 [0,2,0,0,0,0|1,0,0]=3 2524 B9R0.46 COCCSCC(=O)OC MCULE-2376910054 [0,2,0,0,0,0|1,1,0]=4 2525 B9R0.46 NCCCCNC(=O)CCl MCULE-3702390388 [0,2,0,0,0,0|2,0,0]=4 2526 B9R0.46 NCCCCNC(=O)CCl MCULE-8135973380 [0,2,0,0,0,0|2,0,0]=4 2527 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [0,2,0,0,0,0|2,0,0]=4 2528 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [0,2,0,0,0,0|2,0,0]=4 2529 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [0,2,0,0,0,0|2,0,0]=4 2531 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [0,2,0,0,0,0|1,0,1]=4 2532 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,2,0,0,0,0|1,0,0]=3 2533 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [0,2,0,0,0,0|2,0,0]=4 2535 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [0,2,0,0,0,0|1,0,0]=3 2542 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [0,2,0,0,0,0|0,1,0]=3 2543 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [0,2,0,0,0,0|0,1,0]=3 2544 B9R0.47 CC(NCCC#N)C(=O)O MCULE-7314407236 [0,2,0,0,0,0|1,0,1]=4 2545 B9R0.47 CCCC=CC(O)C(=O)O MCULE-9096490162 [0,2,0,0,0,0|2,0,0]=4 2546 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,2,0,0,0,0|2,0,0]=4 2548 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,2,0,0,0,0|2,0,0]=4 2550 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,2,0,0,0,0|2,0,0]=4 2551 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,2,0,0,0,0|2,0,0]=4 2552 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,2,0,0,0,0|2,0,0]=4 2553 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,2,0,0,0,0|2,0,0]=4 2554 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,2,0,0,0,0|2,0,0]=4 2555 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,2,0,0,0,0|1,0,0]=3 2556 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,2,0,0,0,0|1,1,0]=4 2557 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,2,0,0,0,0|1,1,0]=4 2558 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,2,0,0,0,0|1,1,0]=4 2559 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,2,0,0,0,0|1,1,0]=4 2560 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,2,0,0,0,0|2,0,0]=4 2561 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,2,0,0,0,0|2,0,0]=4 2562 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,2,0,0,0,0|2,0,0]=4 2563 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,2,0,0,0,0|2,0,0]=4 2564 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,2,0,0,0,0|2,0,0]=4 2565 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,2,0,0,0,0|2,0,0]=4 2566 B9R0.47 CN(C)C(=O)CCCCN MCULE-3652197577 [0,2,0,0,0,0|2,0,0]=4 2567 B9R0.47 CN(C)C(=O)CCCCN MCULE-8745654711 [0,2,0,0,0,0|2,0,0]=4 2568 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,2,0,0,0,0|2,0,0]=4 2569 B9R0.47 COCCNC(C)C(=O)O MCULE-1762428923 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.47 COCCNC(C)C(=O)O MCULE-8532368084 [0,2,0,0,0,0|2,0,0]=4 2571 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,2,0,0,0,0|1,0,0]=3 2572 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,2,0,0,0,0|1,0,0]=3 2573 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,2,0,0,0,0|2,0,0]=4 2574 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,2,0,0,0,0|1,1,0]=4 2575 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [0,2,0,0,0,0|1,0,1]=4 2576 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [0,2,0,0,0,0|1,0,1]=4 2577 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [0,2,0,0,0,0|1,0,1]=4 2578 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [0,2,0,0,0,0|2,0,0]=4 2579 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [0,2,0,0,0,0|2,0,0]=4 2580 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,2,0,0,0,0|1,0,0]=3 2581 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,2,0,0,0,0|1,0,0]=3 2582 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,2,0,0,0,0|1,0,0]=3 2583 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,2,0,0,0,0|1,0,0]=3 2584 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,2,0,0,0,0|1,0,0]=3 2585 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,2,0,0,0,0|1,0,0]=3 2586 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,2,0,0,0,0|1,0,0]=3 2587 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,2,0,0,0,0|1,0,0]=3 2588 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,2,0,0,0,0|1,0,0]=3 2589 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [0,2,0,0,0,0|2,0,0]=4 2591 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,2,0,0,0,0|1,0,0]=3 2594 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,2,0,0,0,0|1,0,0]=3 2595 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,2,0,0,0,0|1,0,0]=3 2596 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,2,0,0,0,0|1,0,0]=3 2597 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,2,0,0,0,0|1,0,0]=3 2598 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,2,0,0,0,0|1,0,0]=3 2599 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,2,0,0,0,0|1,0,0]=3 2600 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,2,0,0,0,0|1,0,0]=3 2601 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,2,0,0,0,0|1,0,0]=3 2602 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,2,0,0,0,0|1,0,0]=3 2603 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,2,0,0,0,0|1,0,0]=3 2604 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,2,0,0,0,0|1,0,0]=3 2605 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [0,2,0,0,0,0|0,0,0]=2 2606 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [0,2,0,0,0,0|0,0,0]=2 2607 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [0,2,0,0,0,0|0,0,0]=2 2608 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [0,2,0,0,0,0|0,0,0]=2 2609 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [0,2,0,0,0,0|0,0,0]=2 2610 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [0,2,0,0,0,0|0,0,0]=2 2611 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [0,2,0,0,0,0|0,1,0]=3 2612 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [0,2,0,0,0,0|0,1,0]=3 2613 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [0,2,0,0,0,0|0,1,0]=3 2614 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [0,2,0,0,0,0|0,1,0]=3 2615 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [0,2,0,0,0,0|0,1,0]=3 2616 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [0,2,0,0,0,0|0,1,0]=3 2617 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [0,2,0,0,0,0|0,1,0]=3 2618 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [0,2,0,0,0,0|0,1,0]=3 2619 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,2,0,0,0,0|2,0,0]=4 2620 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,2,0,0,0,0|2,0,0]=4 2621 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [0,2,0,0,0,0|1,0,0]=3 2622 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [0,2,0,0,0,0|1,0,0]=3 2623 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [0,2,0,0,0,0|1,0,0]=3 2624 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [0,2,0,0,0,0|1,0,0]=3 2625 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,2,0,0,0,0|1,1,0]=4 2626 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,2,0,0,0,0|1,1,0]=4 2627 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,2,0,0,0,0|2,0,0]=4 2628 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,2,0,0,0,0|1,0,0]=3 2629 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,2,0,0,0,0|1,0,0]=3 2630 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,2,0,0,0,0|2,0,0]=4 2631 B9R0.50 COC(COCCN)OC MCULE-1633009911 [0,2,0,0,0,0|0,0,2]=4 2632 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [0,2,0,0,0,0|2,0,0]=4 2634 B9R0.2 C=CCOCCCC(=O)O MCULE-5276221892 [0,2,0,0,0,0|1,0,1]=4 2635 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [0,2,0,0,0,0|2,0,0]=4 2636 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [0,2,0,0,0,0|2,0,0]=4 2637 B9R0.2 CC(=O)NCCCCCN MCULE-6340089295 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.2 CC(=O)NCCCCCN MCULE-9533682248 [0,2,0,0,0,0|2,0,0]=4 2639 B9R0.2 CC(=O)NCCOCCBr MCULE-2348291899 [0,2,0,0,0,0|2,0,0]=4 2640 B9R0.2 CC(=O)NCCOCCO MCULE-4601425982 [0,2,0,0,0,0|2,0,0]=4 2641 B9R0.2 CC(=O)OCCOCCCl MCULE-6641386197 [0,2,0,0,0,0|2,0,0]=4 2642 B9R0.2 CC(=O)OCCOCCO MCULE-1731179198 [0,2,0,0,0,0|2,0,0]=4 2643 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [0,2,0,0,0,0|2,0,0]=4 2644 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [0,2,0,0,0,0|2,0,0]=4 2645 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [0,2,0,0,0,0|2,0,0]=4 2646 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [0,2,0,0,0,0|2,0,0]=4 2647 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [0,2,0,0,0,0|2,0,0]=4 2648 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [0,2,0,0,0,0|2,0,0]=4 2649 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [0,2,0,0,0,0|2,0,0]=4 2650 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [0,2,0,0,0,0|2,0,0]=4 2651 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [0,2,0,0,0,0|1,0,0]=3 2652 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [0,2,0,0,0,0|1,0,0]=3 2653 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [0,2,0,0,0,0|1,1,0]=4 2654 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [0,2,0,0,0,0|1,0,0]=3 2655 B9R0.2 CCCOCCOC(=O)Cl MCULE-3909524059 [0,2,0,0,0,0|2,0,0]=4 2656 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [0,2,0,0,0,0|1,1,0]=4 2657 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [0,2,0,0,0,0|1,0,0]=3 2658 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [0,2,0,0,0,0|1,0,0]=3 2659 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [0,2,0,0,0,0|2,0,0]=4 2660 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [0,2,0,0,0,0|1,0,0]=3 2661 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [0,2,0,0,0,0|1,0,0]=3 2662 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [0,2,0,0,0,0|0,0,0]=2 2663 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [0,2,0,0,0,0|2,0,0]=4 2664 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [0,2,0,0,0,0|1,0,0]=3 2665 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [0,2,0,0,0,0|2,0,0]=4 2666 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [0,2,0,0,0,0|1,0,0]=3 2667 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [0,2,0,0,0,0|2,0,0]=4 2668 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [0,2,0,0,0,0|1,0,1]=4 2669 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [0,2,0,0,0,0|1,0,1]=4 2670 B9R0.2 N#CCCNCCC(=O)O MCULE-5749626028 [0,2,0,0,0,0|1,0,1]=4 2671 B9R0.2 N#N=NCCCCC(=O)O MCULE-6676414217 [0,2,0,0,0,0|1,0,1]=4 2672 B9R0.2 N#N=NCCOCC(=O)Cl MCULE-8519226265 [0,2,0,0,0,0|1,0,1]=4 2673 B9R0.2 N#N=NCCOCC(=O)O MCULE-7862025452 [0,2,0,0,0,0|0,0,1]=3 2674 B9R0.2 NC(=O)NCCOCCO MCULE-5514708038 [0,2,0,0,0,0|2,0,0]=4 2675 B9R0.2 NCCCCCCC(=O)N MCULE-9587339996 [0,2,0,0,0,0|2,0,0]=4 2676 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [0,2,0,0,0,0|1,0,0]=3 2677 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [0,2,0,0,0,0|1,0,0]=3 2678 B9R0.2 NCCSSCCC(=O)O MCULE-2378332819 [0,2,0,0,0,0|0,1,0]=3 2679 B9R0.2 NCCSSCCC(=O)O MCULE-4249865017 [0,2,0,0,0,0|0,1,0]=3 2680 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [0,2,0,0,0,0|1,0,0]=3 2681 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [0,2,0,0,0,0|1,0,0]=3 2682 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [0,2,0,0,0,0|1,0,0]=3 2683 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [0,2,0,0,0,0|2,0,0]=4 2684 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [0,2,0,0,0,0|2,0,0]=4 2686 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.38 CS(=O)(=O)CCOCCN MCULE-1852727988 [0,2,0,0,0,0|1,0,1]=4 2691 B9R0.38 CS(=O)(=O)CCOCCN MCULE-8898068986 [0,2,0,0,0,0|1,0,1]=4 2692 B9R0.38 NCCCCCS(=O)(=O)O MCULE-7296557430 [0,2,0,0,0,0|2,0,0]=4 2693 B9R0.38 NCCNCCS(=O)(=O)O MCULE-1404556880 [0,2,0,0,0,0|2,0,0]=4 2694 B9R0.38 NCCOCCS(=O)(=O)N MCULE-5155164820 [0,2,0,0,0,0|1,0,1]=4 2695 B9R0.38 NCCOCCS(=O)(=O)N MCULE-6203063192 [0,2,0,0,0,0|1,0,1]=4 2696 B9R0.38 O=P(O)(O)CCOCCCl MCULE-4452895182 [0,2,0,0,0,0|2,0,0]=4 2697 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [0,2,0,0,0,0|2,0,0]=4 2706 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [0,2,0,0,0,0|2,0,0]=4 2707 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,2,0,0,0,0|1,0,0]=3 2708 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,2,0,0,0,0|1,0,0]=3 2709 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,2,0,0,0,0|2,0,0]=4 2712 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,2,0,0,0,0|2,0,0]=4 2713 B9R0.55 CC(=O)CCCCN(C)C MCULE-4549437072 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.55 CC(=O)CCOCC(C)C MCULE-8673860656 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,2,0,0,0,0|2,0,0]=4 2716 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,2,0,0,0,0|1,0,0]=3 2717 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,2,0,0,0,0|1,1,0]=4 2718 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,2,0,0,0,0|2,0,0]=4 2719 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,2,0,0,0,0|2,0,0]=4 2720 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,2,0,0,0,0|1,0,0]=3 2721 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,2,0,0,0,0|1,1,0]=4 2722 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,2,0,0,0,0|2,0,0]=4 2723 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,2,0,0,0,0|2,0,0]=4 2724 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [0,2,0,0,0,0|2,0,0]=4 2725 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [0,2,0,0,0,0|2,0,0]=4 2726 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,2,0,0,0,0|1,0,0]=3 2727 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,2,0,0,0,0|1,0,0]=3 2728 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,2,0,0,0,0|1,0,0]=3 2729 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,2,0,0,0,0|1,0,0]=3 2730 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,2,0,0,0,0|1,0,0]=3 2731 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,2,0,0,0,0|1,0,0]=3 2732 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,2,0,0,0,0|0,0,0]=2 2733 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,2,0,0,0,0|0,1,0]=3 2734 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,2,0,0,0,0|0,1,0]=3 2735 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,2,0,0,0,0|1,0,1]=4 2736 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,2,0,0,0,0|2,0,0]=4 2737 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,2,0,0,0,0|1,0,0]=3 2738 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,2,0,0,0,0|0,1,1]=4 2740 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,2,0,0,0,0|1,0,1]=4 2741 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,2,0,0,0,0|2,0,0]=4 2743 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,2,0,0,0,0|2,0,0]=4 2744 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,2,0,0,0,0|2,0,0]=4 2745 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,2,0,0,0,0|2,0,0]=4 2746 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.55 O=C(O)CCOCC(F)F MCULE-5247096062 [0,2,0,0,0,0|1,0,0]=3 2748 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,2,0,0,0,0|2,0,0]=4 2749 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,2,0,0,0,0|2,0,0]=4 2750 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,2,0,0,0,0|2,0,0]=4 2753 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,2,0,0,0,0|2,0,0]=4 2754 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,2,0,0,0,0|2,0,0]=4 2755 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,2,0,0,0,0|2,0,0]=4 2756 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,2,0,0,0,0|2,0,0]=4 2757 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,2,0,0,0,0|2,0,0]=4 2758 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,2,0,0,0,0|2,0,0]=4 2759 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,2,0,0,0,0|2,0,0]=4 2760 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,2,0,0,0,0|2,0,0]=4 2761 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,2,0,0,0,0|2,0,0]=4 2762 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,2,0,0,0,0|1,0,0]=3 2763 B9R0.7 CC(N)C(=O)NCC(=O)O MCULE-5334499783 [0,2,0,0,0,0|1,0,1]=4 2764 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-1572586456 [0,2,0,0,0,0|1,0,1]=4 2765 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-2334963197 [0,2,0,0,0,0|1,0,1]=4 2766 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-3041567092 [0,2,0,0,0,0|1,0,1]=4 2767 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-5810433569 [0,2,0,0,0,0|1,0,1]=4 2768 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-1231323853 [0,2,0,0,0,0|1,0,1]=4 2769 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-6793382418 [0,2,0,0,0,0|1,0,1]=4 2770 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,2,0,0,0,0|1,0,1]=4 2771 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,2,0,0,0,0|1,0,1]=4 2772 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,2,0,0,0,0|1,0,1]=4 2773 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,2,0,0,0,0|1,0,1]=4 2774 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,2,0,0,0,0|1,0,1]=4 2775 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,2,0,0,0,0|1,0,1]=4 2776 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,2,0,0,0,0|1,0,1]=4 2777 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,2,0,0,0,0|1,0,1]=4 2778 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,2,0,0,0,0|1,0,1]=4 2779 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,2,0,0,0,0|1,0,1]=4 2780 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,2,0,0,0,0|1,0,1]=4 2781 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,2,0,0,0,0|1,0,1]=4 2782 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,2,0,0,0,0|1,0,1]=4 2783 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,2,0,0,0,0|2,0,0]=4 2784 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,2,0,0,0,0|1,0,1]=4 2785 B9R0.13 C#CCOC(CC)C(=O)O MCULE-8164573220 [0,2,0,0,0,0|1,0,1]=4 2786 B9R0.13 CCC(OCCO)C(=O)O MCULE-6934668694 [0,2,0,0,0,0|1,0,0]=3 2787 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,2,0,0,0,0|2,0,0]=4 2788 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,2,0,0,0,0|2,0,0]=4 2789 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,2,0,0,0,0|2,0,0]=4 2790 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,2,0,0,0,0|2,0,0]=4 2791 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,2,0,0,0,0|2,0,0]=4 2793 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,2,0,0,0,0|2,0,0]=4 2795 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,2,0,0,0,0|2,0,0]=4 2796 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,2,0,0,0,0|2,0,0]=4 2797 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,2,0,0,0,0|2,0,0]=4 2799 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,2,0,0,0,0|2,0,0]=4 2800 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,2,0,0,0,0|2,0,0]=4 2801 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,2,0,0,0,0|2,0,0]=4 2802 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,2,0,0,0,0|2,0,0]=4 2803 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,2,0,0,0,0|2,0,0]=4 2804 B9R0.13 CCCOC(CC)C(=O)N MCULE-3706906733 [0,2,0,0,0,0|2,0,0]=4 2805 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [0,2,0,0,0,0|1,0,0]=3 2806 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [0,2,0,0,0,0|1,0,0]=3 2807 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,2,0,0,0,0|2,0,0]=4 2808 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,2,0,0,0,0|1,0,1]=4 2809 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,2,0,0,0,0|2,0,0]=4 2810 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,2,0,0,0,0|2,0,0]=4 2811 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,2,0,0,0,0|2,0,0]=4 2812 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,2,0,0,0,0|1,0,1]=4 2813 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|1,0,1]=4 2814 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|1,0,1]=4 2815 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,2,0,0,0,0|1,0,1]=4 2816 B9R0.51 C=CCOC(C)(C)C(=O)O MCULE-5351990103 [0,2,0,0,0,0|1,0,1]=4 2817 B9R0.51 C=CCOC(F)(F)C(=O)O MCULE-7533869201 [0,2,0,0,0,0|1,0,1]=4 2818 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [0,2,0,0,0,0|2,0,0]=4 2819 B9R0.51 CC(C)(OCCO)C(=O)O MCULE-7350629526 [0,2,0,0,0,0|1,0,0]=3 2820 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,2,0,0,0,0|1,0,0]=3 2821 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,2,0,0,0,0|1,0,0]=3 2822 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,2,0,0,0,0|2,0,0]=4 2823 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,2,0,0,0,0|2,0,0]=4 2824 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,2,0,0,0,0|2,0,0]=4 2825 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [0,2,0,0,0,0|2,0,0]=4 2826 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [0,2,0,0,0,0|2,0,0]=4 2827 B9R0.43 CCC(CC)OCC(=O)O MCULE-1363431600 [0,2,0,0,0,0|1,0,0]=3 2828 B9R0.64 CCC(C)(C)OCC(=O)O MCULE-6870018986 [0,2,0,0,0,0|1,0,0]=3 2829 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [0,2,0,0,0,0|2,0,0]=4 2830 B9R0.56 CC(C)(C)CCCC(=O)O MCULE-2659832762 [0,2,0,0,0,0|2,0,0]=4 2831 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-1268208354 [0,2,0,0,0,0|2,0,0]=4 2832 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-5430860345 [0,2,0,0,0,0|2,0,0]=4 2833 B9R0.56 CC(C)(C)COCC(=O)Cl MCULE-1692426636 [0,2,0,0,0,0|2,0,0]=4 2834 B9R0.56 CC(C)(N)COCC(=O)O MCULE-6736911202 [0,2,0,0,0,0|0,0,0]=2 2835 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [0,2,0,0,0,0|2,0,0]=4 2836 B9R0.56 O=C(O)CCCC(F)(F)F MCULE-4498764296 [0,2,0,0,0,0|2,0,0]=4 2837 B9R0.56 O=C(O)CNCC(F)(F)F MCULE-4901432382 [0,2,0,0,0,0|2,0,0]=4 2838 B9R0.56 O=C(O)CNCC(F)(F)F MCULE-8079486959 [0,2,0,0,0,0|2,0,0]=4 2839 B9R0.56 O=C(O)COCC(F)(F)F MCULE-6589267358 [0,2,0,0,0,0|1,0,0]=3 2840 B9R0.56 O=C(O)CSCC(F)(F)F MCULE-1069362302 [0,2,0,0,0,0|1,1,0]=4 2841 B9R0.56 O=C([O-])COCC(F)(F)F MCULE-8817963618 [0,2,0,0,0,0|1,0,1]=4 2842 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [1,0,0,1,0,0|2,0,0]=4 2843 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [1,0,0,1,0,0|2,0,0]=4 2844 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [1,0,0,1,0,0|2,0,0]=4 2845 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [1,0,0,1,0,0|1,0,1]=4 2846 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [1,0,0,1,0,0|1,0,1]=4 2847 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,1,0,0|1,0,1]=4 2848 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,1,0,0|1,0,1]=4 2849 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [1,0,0,1,0,0|1,0,1]=4 2850 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [1,0,0,1,0,0|1,0,0]=3 2851 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [1,0,0,1,0,0|1,1,0]=4 2852 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [1,0,0,1,0,0|1,0,1]=4 2853 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|2,0,0]=4 2854 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,0,0,1,0,0|2,0,0]=4 2855 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,0,0,1,0,0|2,0,0]=4 2856 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|1,0,0]=3 2857 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|2,0,0]=4 2858 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [1,0,0,1,0,0|2,0,0]=4 2859 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [1,0,0,1,0,0|2,0,0]=4 2860 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,1,0,0|1,0,0]=3 2861 B7R1.2 CC1COC(O1)C MCULE-5670718739 [1,0,0,1,0,0|1,0,1]=4 2862 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [1,0,0,1,0,0|2,0,0]=4 2863 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,0,0,1,0,0|2,0,0]=4 2864 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [1,0,0,1,0,0|2,0,0]=4 2865 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [1,0,0,1,0,0|2,0,0]=4 2866 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,0,0,1,0,0|2,0,0]=4 2867 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,0,0,1,0,0|2,0,0]=4 2868 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|1,0,0]=3 2869 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|2,0,0]=4 2870 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|2,0,0]=4 2871 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [1,0,0,1,0,0|2,0,0]=4 2872 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [1,0,0,1,0,0|2,0,0]=4 2873 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [1,0,0,1,0,0|2,0,0]=4 2874 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [1,0,0,1,0,0|2,0,0]=4 2875 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,1,0,0|1,0,0]=3 2876 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,1,0,0|1,0,0]=3 2877 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [1,0,0,1,0,0|2,0,0]=4 2878 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [1,0,0,1,0,0|2,0,0]=4 2879 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [1,0,0,1,0,0|2,0,0]=4 2880 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [1,0,0,1,0,0|2,0,0]=4 2881 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|2,0,0]=4 2882 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,0,0,1,0,0|2,0,0]=4 2883 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,0,0,1,0,0|2,0,0]=4 2884 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|1,0,0]=3 2885 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [1,0,0,1,0,0|2,0,0]=4 2886 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [1,0,0,1,0,0|2,0,0]=4 2887 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [1,0,0,1,0,0|2,0,0]=4 2888 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,1,0,0|1,0,0]=3 2889 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,1,0,0|1,0,0]=3 2890 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [1,0,0,1,0,0|1,0,1]=4 2891 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [1,0,0,1,0,0|1,0,1]=4 2892 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,0,0,1,0,0|1,0,0]=3 2893 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,0,0,1,0,0|1,0,0]=3 2894 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [1,0,0,1,0,0|1,0,0]=3 2895 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [1,0,0,1,0,0|1,0,0]=3 2896 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [1,0,0,1,0,0|1,0,1]=4 2897 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [1,0,0,1,0,0|1,0,1]=4 2898 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [1,0,0,1,0,0|2,0,0]=4 2899 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [1,0,0,1,0,0|2,0,0]=4 2900 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [1,0,0,1,0,0|2,0,0]=4 2901 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [1,0,0,1,0,0|2,0,0]=4 2902 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [1,0,0,1,0,0|2,0,0]=4 2903 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [1,0,0,1,0,0|2,0,0]=4 2904 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [1,0,0,1,0,0|1,0,0]=3 2905 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [1,0,0,1,0,0|1,0,0]=3 2906 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [1,0,0,1,0,0|1,0,0]=3 2907 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [1,0,0,1,0,0|1,0,0]=3 2908 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [1,0,0,1,0,0|1,1,0]=4 2909 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [1,0,0,1,0,0|1,0,1]=4 2910 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [1,0,0,1,0,0|1,0,1]=4 2911 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [1,0,0,1,0,0|1,0,1]=4 2912 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [1,0,0,1,0,0|1,0,1]=4 2913 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [1,0,0,1,0,0|1,0,1]=4 2914 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [1,0,0,1,0,0|1,0,1]=4 2915 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [1,0,0,1,0,0|1,0,1]=4 2916 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [1,0,0,1,0,0|1,0,1]=4 2917 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [1,0,0,1,0,0|1,0,1]=4 2918 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [1,0,0,1,0,0|1,0,1]=4 2919 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [1,0,0,1,0,0|2,0,0]=4 2920 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [1,0,0,1,0,0|2,0,0]=4 2921 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [1,0,0,1,0,0|2,0,0]=4 2922 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [1,0,0,1,0,0|2,0,0]=4 2923 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [1,0,0,1,0,0|1,0,0]=3 2924 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [1,0,0,1,0,0|1,0,0]=3 2925 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [1,0,0,1,0,0|1,0,0]=3 2926 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [1,0,0,1,0,0|1,0,0]=3 2927 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [1,0,0,1,0,0|1,0,1]=4 2928 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [1,0,0,1,0,0|1,0,1]=4 2929 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [1,0,0,1,0,0|1,0,1]=4 2930 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [1,0,0,1,0,0|1,0,1]=4 2931 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [1,0,0,1,0,0|1,0,1]=4 2932 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [1,0,0,1,0,0|1,0,1]=4 2933 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [1,0,0,1,0,0|1,0,1]=4 2934 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [1,0,0,1,0,0|1,0,1]=4 2935 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [1,0,0,1,0,0|1,0,1]=4 2936 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [1,0,0,1,0,0|1,0,1]=4 2937 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [1,0,0,1,0,0|2,0,0]=4 2938 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [1,0,0,1,0,0|2,0,0]=4 2939 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [1,0,0,1,0,0|2,0,0]=4 2940 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [1,0,0,1,0,0|2,0,0]=4 2941 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [1,0,0,1,0,0|2,0,0]=4 2942 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [1,0,0,1,0,0|2,0,0]=4 2943 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [1,0,0,1,0,0|1,0,0]=3 2944 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [1,0,0,1,0,0|1,0,0]=3 2945 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [1,0,0,1,0,0|1,0,0]=3 2946 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [1,0,0,1,0,0|1,0,0]=3 2947 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|2,0,0]=4 2948 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|2,0,0]=4 2949 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,0,0,1,0,0|1,0,1]=4 2950 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,0,0,1,0,0|2,0,0]=4 2951 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,0,0,1,0,0|2,0,0]=4 2952 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|2,0,0]=4 2953 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|2,0,0]=4 2954 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|1,0,0]=3 2955 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|1,0,0]=3 2956 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|2,0,0]=4 2957 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|2,0,0]=4 2958 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|2,0,0]=4 2959 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|2,0,0]=4 2960 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [1,0,0,1,0,0|1,0,0]=3 2961 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [1,0,0,1,0,0|1,0,0]=3 2962 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [1,0,0,1,0,0|1,0,1]=4 2963 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [1,0,0,1,0,0|1,0,1]=4 2964 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|2,0,0]=4 2965 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [1,0,0,1,0,0|1,0,1]=4 2966 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [1,0,0,1,0,0|1,0,1]=4 2967 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [1,0,0,1,0,0|2,0,0]=4 2968 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [1,0,0,1,0,0|2,0,0]=4 2969 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [1,0,0,1,0,0|2,0,0]=4 2970 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [1,0,0,1,0,0|2,0,0]=4 2971 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,1,0,0|1,0,1]=4 2972 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [1,0,0,1,0,0|1,0,1]=4 2973 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [1,0,0,1,0,0|2,0,0]=4 2974 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,1,0,0|2,0,0]=4 2975 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,1,0,0|1,0,0]=3 2976 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,1,0,0|1,1,0]=4 2977 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [1,0,0,1,0,0|1,0,0]=3 2978 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [1,0,0,1,0,0|1,0,0]=3 2979 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,1,0,0|1,0,0]=3 2980 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,1,0,0|1,1,0]=4 2981 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,0,0,1,0,0|2,0,0]=4 2982 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,1,0,0|1,0,0]=3 2983 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,1,0,0|1,0,0]=3 2984 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,1,0,0|1,0,0]=3 2985 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,1,0,0|0,0,0]=2 2986 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,1,0,0|1,1,0]=4 2987 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,1,0,0|2,0,0]=4 2988 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [1,0,0,1,0,0|1,0,0]=3 2989 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [1,0,0,1,0,0|1,0,0]=3 2990 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [1,0,0,1,0,0|2,0,0]=4 2991 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [1,0,0,1,0,0|2,0,0]=4 2992 B7R1.3 OC1CCCNC1 MCULE-4557845355 [1,0,0,1,0,0|1,0,1]=4 2993 B7R1.3 OC1CCCNC1 MCULE-6040312691 [1,0,0,1,0,0|1,0,1]=4 2994 B7R1.3 OC1CCCOC1 MCULE-3820663957 [1,0,0,1,0,0|1,0,1]=4 2995 B7R1.3 OC1CCCOC1 MCULE-4349250540 [1,0,0,1,0,0|1,0,1]=4 2996 B7R1.3 OC1CNCCO1 MCULE-7048275202 [1,0,0,1,0,0|1,0,1]=4 2997 B7R1.3 OC1CNCCO1 MCULE-9716087824 [1,0,0,1,0,0|1,0,1]=4 2998 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [1,0,0,1,0,0|1,0,1]=4 2999 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [1,0,0,1,0,0|1,0,1]=4 3000 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [1,0,0,1,0,0|1,0,1]=4 3001 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [1,0,0,1,0,0|1,0,1]=4 3002 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [1,0,0,1,0,0|1,0,1]=4 3003 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [1,0,0,1,0,0|1,0,1]=4 3004 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [1,0,0,1,0,0|1,0,1]=4 3005 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [1,0,0,1,0,0|1,0,1]=4 3006 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [1,0,0,1,0,0|1,0,1]=4 3007 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [1,0,0,1,0,0|1,0,1]=4 3008 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [1,0,0,1,0,0|1,0,1]=4 3009 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [1,0,0,1,0,0|1,0,1]=4 3010 B7R1.3 S=C1COCCN1 MCULE-1743172522 [1,0,0,1,0,0|1,1,0]=4 3011 B7R1.7 CCOCC1CO1 MCULE-2647353662 [1,0,0,1,0,0|1,0,1]=4 3012 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [1,0,0,1,0,0|2,0,0]=4 3013 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [1,0,0,1,0,0|2,0,0]=4 3014 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [1,0,0,1,0,0|1,0,0]=3 3015 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [1,0,0,1,0,0|1,0,0]=3 3016 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [1,0,0,1,0,0|1,0,0]=3 3017 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [1,0,0,1,0,0|1,0,1]=4 3018 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [1,0,0,1,0,0|1,0,1]=4 3019 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [1,0,0,1,0,0|1,0,1]=4 3020 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [1,0,0,1,0,0|1,0,1]=4 3021 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [1,0,0,1,0,0|1,0,1]=4 3022 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [1,0,0,1,0,0|1,0,1]=4 3023 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [1,0,0,1,0,0|2,0,0]=4 3024 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [1,0,0,1,0,0|2,0,0]=4 3025 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [1,0,0,1,0,0|2,0,0]=4 3026 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,1,0,0|2,0,0]=4 3027 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [1,0,0,1,0,0|2,0,0]=4 3028 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,1,0,0|2,0,0]=4 3029 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,1,0,0|2,0,0]=4 3030 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [1,0,0,1,0,0|1,0,0]=3 3031 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,1,0,0|2,0,0]=4 3032 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,1,0,0|2,0,0]=4 3033 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,1,0,0|2,0,0]=4 3034 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|1,0,1]=4 3035 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|2,0,0]=4 3036 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|2,0,0]=4 3037 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|1,0,1]=4 3038 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|2,0,0]=4 3039 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|2,0,0]=4 3040 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|1,0,0]=3 3041 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,0,0,1,0,0|1,1,0]=4 3042 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|1,0,0]=3 3043 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|1,0,0]=3 3044 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|1,0,0]=3 3045 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|1,0,0]=3 3046 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|1,0,0]=3 3047 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|1,0,0]=3 3048 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|1,0,0]=3 3049 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|1,0,0]=3 3050 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|1,0,0]=3 3051 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [1,0,0,1,0,0|1,0,0]=3 3052 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [1,0,0,1,0,0|2,0,0]=4 3053 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|1,0,0]=3 3054 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|1,0,0]=3 3055 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|1,0,0]=3 3056 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|1,0,0]=3 3057 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|1,0,0]=3 3058 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|1,0,0]=3 3059 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|1,0,0]=3 3060 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|1,0,0]=3 3061 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|1,0,0]=3 3062 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|1,0,0]=3 3063 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|1,0,0]=3 3064 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|1,0,0]=3 3065 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|1,0,0]=3 3066 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|1,0,0]=3 3067 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|1,0,0]=3 3068 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|1,0,0]=3 3069 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|1,0,0]=3 3070 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|1,0,0]=3 3071 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|1,0,0]=3 3072 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|1,0,0]=3 3073 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|1,0,0]=3 3074 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|1,0,0]=3 3075 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|1,0,0]=3 3076 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [1,0,0,1,0,0|1,0,1]=4 3077 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [1,0,0,1,0,0|1,0,1]=4 3078 B7R1.14 O=S1(=O)NCCO1 MCULE-2978152198 [1,0,0,1,0,0|1,0,1]=4 3079 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|0,0,0]=2 3080 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|2,0,0]=4 3081 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|2,0,0]=4 3082 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|1,0,0]=3 3083 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|1,0,0]=3 3084 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|1,0,0]=3 3085 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|2,0,0]=4 3086 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|1,0,1]=4 3087 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|1,0,0]=3 3088 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|0,0,0]=2 3089 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|0,0,0]=2 3090 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|0,0,0]=2 3091 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|0,0,0]=2 3092 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|0,0,0]=2 3093 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|2,0,0]=4 3094 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|2,0,0]=4 3095 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|2,0,0]=4 3096 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|2,0,0]=4 3097 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|0,0,0]=2 3098 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|0,0,0]=2 3099 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|0,0,0]=2 3100 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|0,0,0]=2 3101 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|0,0,0]=2 3102 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|0,0,0]=2 3103 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|0,0,0]=2 3104 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|0,0,0]=2 3105 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|0,0,0]=2 3106 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|0,0,0]=2 3107 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|0,0,0]=2 3108 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|0,0,0]=2 3109 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|2,0,0]=4 3110 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|2,0,0]=4 3111 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|2,0,0]=4 3112 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|2,0,0]=4 3113 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [1,0,0,1,0,0|2,0,0]=4 3114 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [1,0,0,1,0,0|1,0,1]=4 3115 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|1,0,0]=3 3116 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|1,0,0]=3 3117 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|1,0,0]=3 3118 B7R1.1 BrCC1OCCO1 MCULE-4843503125 [1,0,0,1,0,0|1,0,1]=4 3119 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [1,0,0,1,0,0|1,0,1]=4 3120 B7R1.1 C=CC1CCCN1 MCULE-5736974496 [1,0,0,1,0,0|2,0,0]=4 3121 B7R1.1 C=CC1CCCN1 MCULE-7626074228 [1,0,0,1,0,0|2,0,0]=4 3122 B7R1.1 CCC1OCCO1 MCULE-3434568584 [1,0,0,1,0,0|1,0,1]=4 3123 B7R1.1 ClCC1OCCO1 MCULE-2722734837 [1,0,0,1,0,0|1,0,1]=4 3124 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [1,0,0,1,0,0|2,0,0]=4 3125 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [1,0,0,1,0,0|2,0,0]=4 3126 B7R1.1 NCC1CCCO1 MCULE-2797516262 [1,0,0,1,0,0|1,0,1]=4 3127 B7R1.1 NCC1CCCO1 MCULE-5970677903 [1,0,0,1,0,0|1,0,1]=4 3128 B7R1.1 NCC1CCCO1 MCULE-6166235034 [1,0,0,1,0,0|1,0,1]=4 3129 B7R1.1 NCC1COCO1 MCULE-1657884847 [1,0,0,1,0,0|2,0,0]=4 3130 B7R1.1 NCC1COCO1 MCULE-9310217083 [1,0,0,1,0,0|2,0,0]=4 3131 B7R1.1 NCC1OCCO1 MCULE-4813269641 [1,0,0,1,0,0|0,0,1]=3 3132 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [1,0,0,1,0,0|1,0,1]=4 3133 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [1,0,0,1,0,0|1,0,1]=4 3134 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [1,0,0,1,0,0|1,0,1]=4 3135 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [1,0,0,1,0,0|1,0,1]=4 3136 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [1,0,0,1,0,0|1,0,1]=4 3137 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [1,0,0,1,0,0|1,0,1]=4 3138 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [1,0,0,1,0,0|1,0,1]=4 3139 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [1,0,0,1,0,0|1,0,1]=4 3140 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [1,0,0,1,0,0|1,0,1]=4 3141 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [1,0,0,1,0,0|2,0,0]=4 3142 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [1,0,0,1,0,0|1,0,0]=3 3143 B7R1.1 OCC1CCCN1 MCULE-1016922679 [1,0,0,1,0,0|1,0,1]=4 3144 B7R1.1 OCC1CCCN1 MCULE-8224535891 [1,0,0,1,0,0|1,0,1]=4 3145 B7R1.1 OCC1CCCO1 MCULE-5877114547 [1,0,0,1,0,0|1,0,1]=4 3146 B7R1.1 OCC1CCCO1 MCULE-5884880244 [1,0,0,1,0,0|1,0,1]=4 3147 B7R1.1 OCC1OCCO1 MCULE-8334027179 [1,0,0,1,0,0|1,0,1]=4 3148 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [1,0,0,1,0,0|1,0,1]=4 3149 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [1,0,0,1,0,0|1,0,1]=4 3150 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [1,0,0,1,0,0|1,0,1]=4 3151 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [1,0,0,1,0,0|1,0,1]=4 3152 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [1,0,0,1,0,0|1,0,1]=4 3153 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [1,0,0,1,0,0|1,0,1]=4 3154 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [1,0,0,1,0,0|1,0,1]=4 3155 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [1,0,0,1,0,0|1,0,1]=4 3156 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [1,0,0,1,0,0|1,0,1]=4 3157 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [1,0,0,1,0,0|1,0,1]=4 3158 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [1,0,0,1,0,0|1,0,1]=4 3159 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [1,0,0,1,0,0|1,0,1]=4 3160 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [1,0,0,1,0,0|2,0,0]=4 3161 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [1,0,0,1,0,0|2,0,0]=4 3162 B7R1.4 C=C1COCC1N MCULE-4632261286 [1,0,0,1,0,0|1,0,0]=3 3163 B7R1.4 C=C1COCC1N MCULE-7153575301 [1,0,0,1,0,0|1,0,0]=3 3164 B7R1.4 CC1CCCC1=O MCULE-3710290162 [1,0,0,1,0,0|2,0,0]=4 3165 B7R1.4 CC1CNCC1=O MCULE-2728909327 [1,0,0,1,0,0|2,0,0]=4 3166 B7R1.4 CC1CNCC1=O MCULE-9172381840 [1,0,0,1,0,0|2,0,0]=4 3167 B7R1.4 CC1COCC1=O MCULE-8115238635 [1,0,0,1,0,0|1,0,0]=3 3168 B7R1.4 CC1COCC1N MCULE-5453471722 [1,0,0,1,0,0|1,0,1]=4 3169 B7R1.4 CC1COCC1N MCULE-6647217023 [1,0,0,1,0,0|1,0,1]=4 3170 B7R1.4 CC1COCC1O MCULE-5925280081 [1,0,0,1,0,0|1,0,1]=4 3171 B7R1.4 CC1CSCC1=O MCULE-5611423322 [1,0,0,1,0,0|1,1,0]=4 3172 B7R1.4 C[C@@H]1COC[C@@H]1O MCULE-3198029643 [1,0,0,1,0,0|1,0,1]=4 3173 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-1145772262 [1,0,0,1,0,0|1,0,1]=4 3174 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-6639849267 [1,0,0,1,0,0|1,0,1]=4 3175 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-9659959713 [1,0,0,1,0,0|1,0,1]=4 3176 B7R1.4 C[C@@H]1COC[C@H]1O MCULE-1967963278 [1,0,0,1,0,0|1,0,1]=4 3177 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-3765921602 [1,0,0,1,0,0|1,0,1]=4 3178 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-5201903195 [1,0,0,1,0,0|1,0,1]=4 3179 B7R1.4 C[C@H]1COC[C@H]1O MCULE-2974083166 [1,0,0,1,0,0|1,0,1]=4 3180 B7R1.4 C[C@H]1COC[C@H]1O MCULE-6725207001 [1,0,0,1,0,0|1,0,1]=4 3181 B7R1.4 NC1CCCC1=O MCULE-3654949473 [1,0,0,1,0,0|1,0,0]=3 3182 B7R1.4 NC1CCCC1=O MCULE-6579965788 [1,0,0,1,0,0|1,0,0]=3 3183 B7R1.4 NC1CCCC1O MCULE-1657591641 [1,0,0,1,0,0|1,0,1]=4 3184 B7R1.4 NC1CCCC1O MCULE-6248992494 [1,0,0,1,0,0|1,0,1]=4 3185 B7R1.4 NC1CCNC1=O MCULE-2061829370 [1,0,0,1,0,0|2,0,0]=4 3186 B7R1.4 NC1CCNC1=O MCULE-4272585488 [1,0,0,1,0,0|2,0,0]=4 3187 B7R1.4 NC1CCOC1=O MCULE-1011670330 [1,0,0,1,0,0|2,0,0]=4 3188 B7R1.4 NC1CCOC1=O MCULE-1366805966 [1,0,0,1,0,0|2,0,0]=4 3189 B7R1.4 NC1CCOC1=O MCULE-1874490478 [1,0,0,1,0,0|2,0,0]=4 3190 B7R1.4 NC1CCOC1=O MCULE-4434379753 [1,0,0,1,0,0|2,0,0]=4 3191 B7R1.4 NC1CCOC1=O MCULE-7302633352 [1,0,0,1,0,0|2,0,0]=4 3192 B7R1.4 NC1CCOC1=O MCULE-8009953591 [1,0,0,1,0,0|2,0,0]=4 3193 B7R1.4 NC1CCSC1=O MCULE-5181497015 [1,0,0,1,0,0|2,0,0]=4 3194 B7R1.4 NC1CCSC1=O MCULE-8775141567 [1,0,0,1,0,0|2,0,0]=4 3195 B7R1.4 NC1COCC1Br MCULE-5821692966 [1,0,0,1,0,0|1,0,1]=4 3196 B7R1.4 NC1COCC1F MCULE-5032224318 [1,0,0,1,0,0|1,0,1]=4 3197 B7R1.4 NC1COCC1F MCULE-8302920845 [1,0,0,1,0,0|1,0,1]=4 3198 B7R1.4 NC1COCC1N MCULE-1202195361 [1,0,0,1,0,0|1,0,1]=4 3199 B7R1.4 NC1COCC1N MCULE-4117465167 [1,0,0,1,0,0|1,0,1]=4 3200 B7R1.4 NC1COCC1O MCULE-3115911209 [1,0,0,1,0,0|0,0,1]=3 3201 B7R1.4 NC1COCC1O MCULE-9837103399 [1,0,0,1,0,0|0,0,1]=3 3202 B7R1.4 NC1CONC1=O MCULE-3118867985 [1,0,0,1,0,0|1,0,0]=3 3203 B7R1.4 NC1CONC1=O MCULE-3159218372 [1,0,0,1,0,0|1,0,0]=3 3204 B7R1.4 NC1CSCC1O MCULE-4474934833 [1,0,0,1,0,0|0,1,1]=4 3205 B7R1.4 NC1CSCC1O MCULE-5059305463 [1,0,0,1,0,0|0,1,1]=4 3206 B7R1.4 NC1CSCC1O MCULE-8633680588 [1,0,0,1,0,0|0,1,1]=4 3207 B7R1.4 NN1CCCC1=O MCULE-2994786381 [1,0,0,1,0,0|2,0,0]=4 3208 B7R1.4 NN1CCCC1=O MCULE-5599329775 [1,0,0,1,0,0|2,0,0]=4 3209 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [1,0,0,1,0,0|1,0,1]=4 3210 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [1,0,0,1,0,0|1,0,1]=4 3211 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [1,0,0,1,0,0|1,0,1]=4 3212 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [1,0,0,1,0,0|1,0,1]=4 3213 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [1,0,0,1,0,0|1,0,1]=4 3214 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [1,0,0,1,0,0|1,0,1]=4 3215 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [1,0,0,1,0,0|1,0,1]=4 3216 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [1,0,0,1,0,0|1,0,1]=4 3217 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [1,0,0,1,0,0|1,0,1]=4 3218 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [1,0,0,1,0,0|1,0,1]=4 3219 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [1,0,0,1,0,0|1,0,1]=4 3220 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [1,0,0,1,0,0|2,0,0]=4 3221 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [1,0,0,1,0,0|2,0,0]=4 3222 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [1,0,0,1,0,0|2,0,0]=4 3223 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [1,0,0,1,0,0|2,0,0]=4 3224 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [1,0,0,1,0,0|2,0,0]=4 3225 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [1,0,0,1,0,0|2,0,0]=4 3226 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [1,0,0,1,0,0|2,0,0]=4 3227 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [1,0,0,1,0,0|2,0,0]=4 3228 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [1,0,0,1,0,0|2,0,0]=4 3229 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [1,0,0,1,0,0|2,0,0]=4 3230 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [1,0,0,1,0,0|2,0,0]=4 3231 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [1,0,0,1,0,0|2,0,0]=4 3232 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-1582887664 [1,0,0,1,0,0|1,0,1]=4 3233 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-3978694929 [1,0,0,1,0,0|1,0,1]=4 3234 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-4503972605 [1,0,0,1,0,0|1,0,1]=4 3235 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-6640537480 [1,0,0,1,0,0|1,0,1]=4 3236 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-5625344145 [1,0,0,1,0,0|1,0,1]=4 3237 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-5743565778 [1,0,0,1,0,0|1,0,1]=4 3238 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-7916026303 [1,0,0,1,0,0|1,0,1]=4 3239 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-2891920420 [1,0,0,1,0,0|0,0,1]=3 3240 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-5764643856 [1,0,0,1,0,0|0,0,1]=3 3241 B7R1.4 N[C@@H]1COC[C@H]1F MCULE-3183837574 [1,0,0,1,0,0|1,0,1]=4 3242 B7R1.4 N[C@@H]1COC[C@H]1F MCULE-3329511858 [1,0,0,1,0,0|1,0,1]=4 3243 B7R1.4 N[C@@H]1COC[C@H]1N MCULE-3234416434 [1,0,0,1,0,0|1,0,1]=4 3244 B7R1.4 N[C@@H]1COC[C@H]1N MCULE-3421021007 [1,0,0,1,0,0|1,0,1]=4 3245 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-1399984261 [1,0,0,1,0,0|0,0,1]=3 3246 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-2321912677 [1,0,0,1,0,0|0,0,1]=3 3247 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-4422404071 [1,0,0,1,0,0|0,0,1]=3 3248 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-7801515292 [1,0,0,1,0,0|0,0,1]=3 3249 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9112718041 [1,0,0,1,0,0|0,0,1]=3 3250 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9447703783 [1,0,0,1,0,0|0,0,1]=3 3251 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [1,0,0,1,0,0|1,0,0]=3 3252 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [1,0,0,1,0,0|1,0,0]=3 3253 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-4507133192 [1,0,0,1,0,0|0,1,1]=4 3254 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-9327920188 [1,0,0,1,0,0|0,1,1]=4 3255 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-5323319055 [1,0,0,1,0,0|0,1,1]=4 3256 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-8008053411 [1,0,0,1,0,0|0,1,1]=4 3257 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [1,0,0,1,0,0|1,0,1]=4 3258 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [1,0,0,1,0,0|1,0,1]=4 3259 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [1,0,0,1,0,0|1,0,1]=4 3260 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [1,0,0,1,0,0|1,0,1]=4 3261 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [1,0,0,1,0,0|1,0,1]=4 3262 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [1,0,0,1,0,0|1,0,1]=4 3263 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [1,0,0,1,0,0|1,0,1]=4 3264 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [1,0,0,1,0,0|1,0,1]=4 3265 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [1,0,0,1,0,0|1,0,1]=4 3266 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [1,0,0,1,0,0|2,0,0]=4 3267 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [1,0,0,1,0,0|2,0,0]=4 3268 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [1,0,0,1,0,0|2,0,0]=4 3269 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [1,0,0,1,0,0|2,0,0]=4 3270 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [1,0,0,1,0,0|2,0,0]=4 3271 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [1,0,0,1,0,0|2,0,0]=4 3272 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [1,0,0,1,0,0|2,0,0]=4 3273 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [1,0,0,1,0,0|2,0,0]=4 3274 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [1,0,0,1,0,0|2,0,0]=4 3275 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [1,0,0,1,0,0|2,0,0]=4 3276 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [1,0,0,1,0,0|2,0,0]=4 3277 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [1,0,0,1,0,0|2,0,0]=4 3278 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [1,0,0,1,0,0|2,0,0]=4 3279 B7R1.4 N[C@H]1COC[C@@H]1F MCULE-1031359839 [1,0,0,1,0,0|1,0,1]=4 3280 B7R1.4 N[C@H]1COC[C@@H]1F MCULE-6239060869 [1,0,0,1,0,0|1,0,1]=4 3281 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-4495433095 [1,0,0,1,0,0|1,0,1]=4 3282 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-6217406845 [1,0,0,1,0,0|1,0,1]=4 3283 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-9762071646 [1,0,0,1,0,0|1,0,1]=4 3284 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-1604156911 [1,0,0,1,0,0|0,0,1]=3 3285 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-3157811195 [1,0,0,1,0,0|0,0,1]=3 3286 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-4377495223 [1,0,0,1,0,0|0,0,1]=3 3287 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-8412403655 [1,0,0,1,0,0|0,0,1]=3 3288 B7R1.4 N[C@H]1COC[C@H]1F MCULE-7980939593 [1,0,0,1,0,0|1,0,1]=4 3289 B7R1.4 N[C@H]1COC[C@H]1F MCULE-8990550970 [1,0,0,1,0,0|1,0,1]=4 3290 B7R1.4 N[C@H]1COC[C@H]1O MCULE-5907972681 [1,0,0,1,0,0|0,0,1]=3 3291 B7R1.4 N[C@H]1COC[C@H]1O MCULE-7502895716 [1,0,0,1,0,0|0,0,1]=3 3292 B7R1.4 N[C@H]1COC[C@H]1O MCULE-8985833831 [1,0,0,1,0,0|0,0,1]=3 3293 B7R1.4 N[C@H]1COC[C@H]1O MCULE-9971794275 [1,0,0,1,0,0|0,0,1]=3 3294 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [1,0,0,1,0,0|1,0,0]=3 3295 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [1,0,0,1,0,0|1,0,0]=3 3296 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [1,0,0,1,0,0|2,0,0]=4 3297 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [1,0,0,1,0,0|2,0,0]=4 3298 B7R1.4 O=C1CCCC1F MCULE-8001765295 [1,0,0,1,0,0|2,0,0]=4 3299 B7R1.4 O=C1CCCC1O MCULE-6795188798 [1,0,0,1,0,0|2,0,0]=4 3300 B7R1.4 OC1COCC1Br MCULE-8642236751 [1,0,0,1,0,0|1,0,1]=4 3301 B7R1.4 OC1COCC1F MCULE-3255803142 [1,0,0,1,0,0|1,0,1]=4 3302 B7R1.4 OC1COCC1O MCULE-2982401803 [1,0,0,1,0,0|1,0,1]=4 3303 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-2460253154 [1,0,0,1,0,0|1,0,1]=4 3304 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-3624406213 [1,0,0,1,0,0|1,0,1]=4 3305 B7R1.4 O[C@@H]1COC[C@H]1O MCULE-5846282762 [1,0,0,1,0,0|1,0,1]=4 3306 B7R1.4 O[C@H]1COC[C@@H]1F MCULE-7724910066 [1,0,0,1,0,0|1,0,1]=4 3307 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-2140544466 [1,0,0,1,0,0|1,0,1]=4 3308 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-9526811966 [1,0,0,1,0,0|1,0,1]=4 3309 B7R1.4 O[C@H]1COC[C@H]1O MCULE-2862505352 [1,0,0,1,0,0|1,0,1]=4 3310 B7R1.4 [C@@H]1(COC[C@@H]1F)N MCULE-3635591654 [1,0,0,1,0,0|1,0,1]=4 3311 B7R1.4 [C@@H]1(COC[C@@H]1F)N MCULE-5914925477 [1,0,0,1,0,0|1,0,1]=4 3312 B7R1.4 [C@@H]1(COC[C@@H]1N)N MCULE-4324328112 [1,0,0,1,0,0|1,0,1]=4 3313 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-5920046767 [1,0,0,1,0,0|1,0,1]=4 3314 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-6282053067 [1,0,0,1,0,0|1,0,1]=4 3315 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-8432332245 [1,0,0,1,0,0|1,0,1]=4 3316 B7R1.6 NCCC1CCO1 MCULE-3619983020 [1,0,0,1,0,0|1,0,1]=4 3317 B7R1.6 NCC[C@@H]1CCO1 MCULE-5442768835 [1,0,0,1,0,0|1,0,1]=4 3318 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [1,0,0,1,0,0|2,0,0]=4 3319 B7R1.6 OCCC1CCN1 MCULE-4368379502 [1,0,0,1,0,0|1,0,1]=4 3320 B7R1.6 OCC[C@@H]1CCN1 MCULE-9567198532 [1,0,0,1,0,0|1,0,1]=4 3321 B7R1.6 OCC[C@H]1CCN1 MCULE-7385668340 [1,0,0,1,0,0|1,0,1]=4 3322 B7R1.8 CC1CCC1C=O MCULE-9541644884 [1,0,0,1,0,0|2,0,0]=4 3323 B7R1.8 CCC1CCC1=O MCULE-5109615435 [1,0,0,1,0,0|2,0,0]=4 3324 B7R1.8 O=C1CCC1CO MCULE-5501600764 [1,0,0,1,0,0|2,0,0]=4 3325 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [1,0,0,1,0,0|2,0,0]=4 3326 B7R1.9 NCC1CC1CO MCULE-2679526126 [1,0,0,1,0,0|1,0,1]=4 3327 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [1,0,0,1,0,0|1,0,1]=4 3328 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [1,0,0,1,0,0|1,0,1]=4 3329 B7R1.24 C1CCNOCC1 MCULE-7242354366 [1,0,0,1,0,0|1,0,1]=4 3330 B7R1.24 C1CCNOCC1 MCULE-7451936178 [1,0,0,1,0,0|1,0,1]=4 3331 B7R1.24 C1CNCCOC1 MCULE-9147617519 [1,0,0,1,0,0|1,0,1]=4 3332 B7R1.24 C1CNCCOC1 MCULE-9722986943 [1,0,0,1,0,0|1,0,1]=4 3333 B7R1.24 C1CNOCCN1 MCULE-3548078740 [1,0,0,1,0,0|1,0,1]=4 3334 B7R1.24 C1CNOCCN1 MCULE-4676245477 [1,0,0,1,0,0|1,0,1]=4 3335 B7R1.24 C1COCCNN1 MCULE-5237837037 [1,0,0,1,0,0|1,0,1]=4 3336 B7R1.24 C1COCCNN1 MCULE-6195400312 [1,0,0,1,0,0|1,0,1]=4 3337 B7R1.24 C1COCCNN1 MCULE-8018224954 [1,0,0,1,0,0|1,0,1]=4 3338 B7R1.24 C1COCCON1 MCULE-1064422282 [1,0,0,1,0,0|0,0,1]=3 3339 B7R1.24 C1COCCON1 MCULE-2039128953 [1,0,0,1,0,0|0,0,1]=3 3340 B9R1.7 CCCC1CCC(=O)O1 MCULE-7682573247 [0,1,0,1,0,0|2,0,0]=4 3341 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [0,1,0,1,0,0|2,0,0]=4 3342 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [0,1,0,1,0,0|2,0,0]=4 3343 B9R1.7 CCCC1COC(=O)O1 MCULE-7663556618 [0,1,0,1,0,0|2,0,0]=4 3344 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [0,1,0,1,0,0|2,0,0]=4 3345 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [0,1,0,1,0,0|2,0,0]=4 3346 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [0,1,0,1,0,0|2,0,0]=4 3347 B9R1.7 CNCC1CCC(=O)N1 MCULE-3081580104 [0,1,0,1,0,0|2,0,0]=4 3348 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-2568268658 [0,1,0,1,0,0|2,0,0]=4 3349 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-3483815914 [0,1,0,1,0,0|2,0,0]=4 3350 B9R1.7 NCCC1=NC(=O)ON1 MCULE-7683505560 [0,1,0,1,0,0|2,0,0]=4 3351 B9R1.7 NCCC1=NC(=O)ON1 MCULE-9980874270 [0,1,0,1,0,0|2,0,0]=4 3352 B9R1.7 NCCC1CCC(=O)N1 MCULE-5980289637 [0,1,0,1,0,0|2,0,0]=4 3353 B9R1.7 NCCC1CNC(=O)C1 MCULE-8054842830 [0,1,0,1,0,0|2,0,0]=4 3354 B9R1.7 NCCC1CNC(=O)C1 MCULE-8879419553 [0,1,0,1,0,0|2,0,0]=4 3355 B9R1.7 NCC[C@@H]1CCC(=O)N1 MCULE-8053535061 [0,1,0,1,0,0|2,0,0]=4 3356 B9R1.7 O=C1CC=C(O1)CCO MCULE-5445350928 [0,1,0,1,0,0|2,0,0]=4 3357 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,1,0,1,0,0|1,0,0]=3 3358 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,1,0,1,0,0|1,0,0]=3 3359 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,1,0,1,0,0|1,0,0]=3 3360 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [0,1,0,1,0,0|2,0,0]=4 3361 B9R1.13 CC(=O)CC1OCCO1 MCULE-2632722648 [0,1,0,1,0,0|2,0,0]=4 3362 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [0,1,0,1,0,0|2,0,0]=4 3363 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [0,1,0,1,0,0|2,0,0]=4 3364 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [0,1,0,1,0,0|2,0,0]=4 3365 B9R1.13 NC(=O)CC1CCNC1 MCULE-7856346382 [0,1,0,1,0,0|2,0,0]=4 3366 B9R1.13 NC(=O)CC1CCNC1 MCULE-9708437402 [0,1,0,1,0,0|2,0,0]=4 3367 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [0,1,0,1,0,0|2,0,0]=4 3368 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [0,1,0,1,0,0|2,0,0]=4 3369 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [0,1,0,1,0,0|2,0,0]=4 3370 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [0,1,0,1,0,0|2,0,0]=4 3371 B9R1.13 NC(=O)NC1NCCN1 MCULE-5746168335 [0,1,0,1,0,0|2,0,0]=4 3372 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [0,1,0,1,0,0|2,0,0]=4 3373 B9R1.13 O=C(O)/C=C\1/CCNC1 MCULE-3459034443 [0,1,0,1,0,0|1,0,1]=4 3374 B9R1.13 O=C(O)CC1=CCCC1 MCULE-5115478269 [0,1,0,1,0,0|2,0,0]=4 3375 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [0,1,0,1,0,0|2,0,0]=4 3376 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [0,1,0,1,0,0|2,0,0]=4 3377 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,1,0,1,0,0|1,0,0]=3 3378 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,1,0,1,0,0|1,0,0]=3 3379 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [0,1,0,1,0,0|1,0,0]=3 3380 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,1,0,1,0,0|1,0,0]=3 3381 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,1,0,1,0,0|1,0,0]=3 3382 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [0,1,0,1,0,0|2,0,0]=4 3383 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [0,1,0,1,0,0|2,0,0]=4 3384 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [0,1,0,1,0,0|2,0,0]=4 3385 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [0,1,0,1,0,0|1,0,0]=3 3386 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [0,1,0,1,0,0|2,0,0]=4 3387 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [0,1,0,1,0,0|2,0,0]=4 3388 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,1,0,1,0,0|1,0,0]=3 3389 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,1,0,1,0,0|1,0,0]=3 3390 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,1,0,1,0,0|1,0,0]=3 3391 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [0,1,0,1,0,0|1,0,0]=3 3392 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,1,0,1,0,0|1,0,0]=3 3393 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,1,0,1,0,0|1,0,0]=3 3394 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,1,0,1,0,0|1,0,0]=3 3395 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,1,0,1,0,0|1,0,0]=3 3396 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [0,1,0,1,0,0|2,0,0]=4 3397 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [0,1,0,1,0,0|2,0,0]=4 3398 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,1,0,1,0,0|1,0,0]=3 3399 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,1,0,1,0,0|1,0,0]=3 3400 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,1,0,1,0,0|1,0,0]=3 3401 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,1,0,1,0,0|1,0,0]=3 3402 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,1,0,1,0,0|1,0,0]=3 3403 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,1,0,1,0,0|1,0,0]=3 3404 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,1,0,1,0,0|1,0,0]=3 3405 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,1,0,1,0,0|1,0,0]=3 3406 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [0,1,0,1,0,0|2,0,0]=4 3407 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [0,1,0,1,0,0|2,0,0]=4 3408 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,1,0,1,0,0|1,0,0]=3 3409 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,1,0,1,0,0|2,0,0]=4 3410 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,1,0,1,0,0|2,0,0]=4 3411 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,1,0,1,0,0|2,0,0]=4 3412 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,1,0,1,0,0|2,0,0]=4 3413 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,1,0,0|2,0,0]=4 3414 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [0,1,0,1,0,0|1,0,0]=3 3415 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,1,0,1,0,0|2,0,0]=4 3416 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [0,1,0,1,0,0|1,0,0]=3 3417 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [0,1,0,1,0,0|1,0,0]=3 3418 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [0,1,0,1,0,0|2,0,0]=4 3419 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [0,1,0,1,0,0|2,0,0]=4 3420 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [0,1,0,1,0,0|2,0,0]=4 3421 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [0,1,0,1,0,0|2,0,0]=4 3422 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [0,1,0,1,0,0|2,0,0]=4 3423 B9R1.41 CN1CC=CC1C(=O)O MCULE-5525753116 [0,1,0,1,0,0|1,0,1]=4 3424 B9R1.41 CN1CC=CC1C(=O)O MCULE-8585806688 [0,1,0,1,0,0|1,0,1]=4 3425 B9R1.41 CN1CCCC1C(=O)N MCULE-1474656837 [0,1,0,1,0,0|2,0,0]=4 3426 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [0,1,0,1,0,0|1,0,0]=3 3427 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [0,1,0,1,0,0|1,0,0]=3 3428 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [0,1,0,1,0,0|1,0,0]=3 3429 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1129223179 [0,1,0,1,0,0|2,0,0]=4 3430 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1418743058 [0,1,0,1,0,0|2,0,0]=4 3431 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [0,1,0,1,0,0|1,0,0]=3 3432 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [0,1,0,1,0,0|1,0,0]=3 3433 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [0,1,0,1,0,0|1,0,0]=3 3434 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [0,1,0,1,0,0|1,0,0]=3 3435 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-1155656545 [0,1,0,1,0,0|2,0,0]=4 3436 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-5987152150 [0,1,0,1,0,0|2,0,0]=4 3437 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [0,1,0,1,0,0|1,0,0]=3 3438 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [0,1,0,1,0,0|1,0,0]=3 3439 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [0,1,0,1,0,0|1,0,0]=3 3440 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [0,1,0,1,0,0|1,0,0]=3 3441 B9R1.41 CN1CSCC1C(=O)O MCULE-6053778396 [0,1,0,1,0,0|2,0,0]=4 3442 B9R1.41 CN1CSCC1C(=O)O MCULE-8768199445 [0,1,0,1,0,0|2,0,0]=4 3443 B9R1.41 CN1CSC[C@@H]1C(=O)O MCULE-9390031358 [0,1,0,1,0,0|2,0,0]=4 3444 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-2295281512 [0,1,0,1,0,0|2,0,0]=4 3445 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-3344236668 [0,1,0,1,0,0|2,0,0]=4 3446 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-6116857567 [0,1,0,1,0,0|2,0,0]=4 3447 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-7315008971 [0,1,0,1,0,0|2,0,0]=4 3448 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [0,1,0,1,0,0|1,0,0]=3 3449 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [0,1,0,1,0,0|1,0,0]=3 3450 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [0,1,0,1,0,0|1,0,0]=3 3451 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [0,1,0,1,0,0|1,0,0]=3 3452 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [0,1,0,1,0,0|2,0,0]=4 3453 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [0,1,0,1,0,0|2,0,0]=4 3454 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [0,1,0,1,0,0|2,0,0]=4 3455 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [0,1,0,1,0,0|2,0,0]=4 3456 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [0,1,0,1,0,0|2,0,0]=4 3457 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [0,1,0,1,0,0|2,0,0]=4 3458 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [0,1,0,1,0,0|2,0,0]=4 3459 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [0,1,0,1,0,0|1,0,0]=3 3460 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [0,1,0,1,0,0|1,0,0]=3 3461 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [0,1,0,1,0,0|1,0,0]=3 3462 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [0,1,0,1,0,0|2,0,0]=4 3463 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [0,1,0,1,0,0|2,0,0]=4 3464 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [0,1,0,1,0,0|2,0,0]=4 3465 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [0,1,0,1,0,0|2,0,0]=4 3466 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [0,1,0,1,0,0|2,0,0]=4 3467 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [0,1,0,1,0,0|2,0,0]=4 3468 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [0,1,0,1,0,0|2,0,0]=4 3469 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [0,1,0,1,0,0|2,0,0]=4 3470 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [0,1,0,1,0,0|2,0,0]=4 3471 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [0,1,0,1,0,0|2,0,0]=4 3472 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [0,1,0,1,0,0|2,0,0]=4 3473 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [0,1,0,1,0,0|2,0,0]=4 3474 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [0,1,0,1,0,0|2,0,0]=4 3475 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [0,1,0,1,0,0|2,0,0]=4 3476 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [0,1,0,1,0,0|2,0,0]=4 3477 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [0,1,0,1,0,0|2,0,0]=4 3478 B9R1.41 NC1=C(CCC1)C(=O)O MCULE-9287668193 [0,1,0,1,0,0|1,0,1]=4 3479 B9R1.41 NC1C=CCC1C(=O)O MCULE-8527386281 [0,1,0,1,0,0|1,0,1]=4 3480 B9R1.41 NC1C=CCC1C(=O)O MCULE-8529743719 [0,1,0,1,0,0|1,0,1]=4 3481 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [0,1,0,1,0,0|1,0,0]=3 3482 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [0,1,0,1,0,0|1,0,0]=3 3483 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [0,1,0,1,0,0|1,0,0]=3 3484 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [0,1,0,1,0,0|1,0,0]=3 3485 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [0,1,0,1,0,0|1,0,0]=3 3486 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [0,1,0,1,0,0|0,0,0]=2 3487 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [0,1,0,1,0,0|0,0,0]=2 3488 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [0,1,0,1,0,0|1,0,0]=3 3489 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [0,1,0,1,0,0|1,0,0]=3 3490 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [0,1,0,1,0,0|1,0,0]=3 3491 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [0,1,0,1,0,0|1,0,0]=3 3492 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [0,1,0,1,0,0|1,0,0]=3 3493 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [0,1,0,1,0,0|1,0,0]=3 3494 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [0,1,0,1,0,0|1,0,0]=3 3495 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [0,1,0,1,0,0|1,0,0]=3 3496 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [0,1,0,1,0,0|1,0,0]=3 3497 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [0,1,0,1,0,0|1,0,0]=3 3498 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [0,1,0,1,0,0|1,0,0]=3 3499 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [0,1,0,1,0,0|1,0,0]=3 3500 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [0,1,0,1,0,0|1,0,0]=3 3501 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [0,1,0,1,0,0|0,0,0]=2 3502 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [0,1,0,1,0,0|0,0,0]=2 3503 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [0,1,0,1,0,0|1,0,0]=3 3504 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [0,1,0,1,0,0|1,0,0]=3 3505 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [0,1,0,1,0,0|1,0,0]=3 3506 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [0,1,0,1,0,0|1,0,0]=3 3507 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [0,1,0,1,0,0|1,0,0]=3 3508 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [0,1,0,1,0,0|1,0,0]=3 3509 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [0,1,0,1,0,0|1,0,0]=3 3510 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [0,1,0,1,0,0|1,0,0]=3 3511 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [0,1,0,1,0,0|1,0,0]=3 3512 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [0,1,0,1,0,0|1,0,0]=3 3513 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [0,1,0,1,0,0|0,0,0]=2 3514 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [0,1,0,1,0,0|0,0,0]=2 3515 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [0,1,0,1,0,0|0,0,0]=2 3516 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [0,1,0,1,0,0|0,0,0]=2 3517 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [0,1,0,1,0,0|2,0,0]=4 3518 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [0,1,0,1,0,0|2,0,0]=4 3519 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [0,1,0,1,0,0|2,0,0]=4 3520 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [0,1,0,1,0,0|2,0,0]=4 3521 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [0,1,0,1,0,0|1,0,0]=3 3522 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [0,1,0,1,0,0|1,0,0]=3 3523 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [0,1,0,1,0,0|1,0,0]=3 3524 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [0,1,0,1,0,0|1,0,0]=3 3525 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [0,1,0,1,0,0|1,0,0]=3 3526 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [0,1,0,1,0,0|1,0,0]=3 3527 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [0,1,0,1,0,0|1,0,0]=3 3528 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [0,1,0,1,0,0|1,0,0]=3 3529 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [0,1,0,1,0,0|1,0,0]=3 3530 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [0,1,0,1,0,0|1,0,0]=3 3531 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [0,1,0,1,0,0|1,0,0]=3 3532 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [0,1,0,1,0,0|1,0,0]=3 3533 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [0,1,0,1,0,0|1,0,0]=3 3534 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [0,1,0,1,0,0|1,0,0]=3 3535 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [0,1,0,1,0,0|1,0,0]=3 3536 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [0,1,0,1,0,0|1,0,0]=3 3537 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [0,1,0,1,0,0|1,0,0]=3 3538 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [0,1,0,1,0,0|1,0,0]=3 3539 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [0,1,0,1,0,0|1,0,0]=3 3540 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [0,1,0,1,0,0|1,0,1]=4 3541 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [0,1,0,1,0,0|2,0,0]=4 3542 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [0,1,0,1,0,0|1,0,0]=3 3543 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [0,1,0,1,0,0|1,0,0]=3 3544 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [0,1,0,1,0,0|1,0,0]=3 3545 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [0,1,0,1,0,0|1,0,0]=3 3546 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [0,1,0,1,0,0|1,0,0]=3 3547 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [0,1,0,1,0,0|1,0,0]=3 3548 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [0,1,0,1,0,0|1,0,0]=3 3549 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [0,1,0,1,0,0|1,0,0]=3 3550 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [0,1,0,1,0,0|1,0,0]=3 3551 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [0,1,0,1,0,0|1,0,0]=3 3552 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [0,1,0,1,0,0|1,0,0]=3 3553 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [0,1,0,1,0,0|1,0,0]=3 3554 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [0,1,0,1,0,0|1,0,0]=3 3555 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [0,1,0,1,0,0|1,0,0]=3 3556 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [0,1,0,1,0,0|1,0,0]=3 3557 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [0,1,0,1,0,0|1,0,0]=3 3558 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [0,1,0,1,0,0|1,0,0]=3 3559 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [0,1,0,1,0,0|2,0,0]=4 3560 B9R1.48 CN1CCOCC(C1)O MCULE-1541124940 [0,1,0,1,0,0|1,0,1]=4 3561 B9R1.48 CN1CCOCC(C1)O MCULE-6224231752 [0,1,0,1,0,0|1,0,1]=4 3562 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,1,0,1,0,0|2,0,0]=4 3563 B9R1.48 O=C1CCCCC(=O)O1 MCULE-7893102377 [0,1,0,1,0,0|2,0,0]=4 3564 B9R1.52 CC1CN(C1C(=O)O)C MCULE-8572324743 [0,1,0,1,0,0|2,0,0]=4 3565 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-1157987768 [0,1,0,1,0,0|2,0,0]=4 3566 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-2203210701 [0,1,0,1,0,0|2,0,0]=4 3567 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C MCULE-7173137112 [0,1,0,1,0,0|2,0,0]=4 3568 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,1,0,1,0,0|2,0,0]=4 3569 B9R1.53 NC(=O)CC1CC(C1)N MCULE-4414712655 [0,1,0,1,0,0|2,0,0]=4 3570 B9R1.53 NC(=O)CC1CC(C1)N MCULE-6104457108 [0,1,0,1,0,0|2,0,0]=4 3571 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,1,0,1,0,0|1,0,0]=3 3572 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,1,0,1,0,0|1,0,0]=3 3573 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,1,0,1,0,0|1,0,0]=3 3574 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,1,0,1,0,0|1,0,0]=3 3575 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,1,0,1,0,0|1,0,0]=3 3576 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,1,0,1,0,0|1,0,0]=3 3577 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,1,0,1,0,0|1,0,1]=4 3578 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,1,0,1,0,0|2,0,0]=4 3579 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,1,0,1,0,0|2,0,0]=4 3580 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,1,0,1,0,0|2,0,0]=4 3581 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,1,0,1,0,0|2,0,0]=4 3582 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,1,0,1,0,0|2,0,0]=4 3583 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [0,1,0,1,0,0|2,0,0]=4 3584 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [0,1,0,1,0,0|2,0,0]=4 3585 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [0,1,0,1,0,0|2,0,0]=4 3586 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,1,0,1,0,0|2,0,0]=4 3587 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,1,0,1,0,0|2,0,0]=4 3588 B9R1.66 CC1(COCC(=O)N1)C MCULE-4764218630 [0,1,0,1,0,0|2,0,0]=4 3589 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,1,0,1,0,0|2,0,0]=4 3590 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [0,1,0,1,0,0|2,0,0]=4 3591 B9R1.137 CN(CC(=O)O)C1CC1 MCULE-7502980024 [0,1,0,1,0,0|2,0,0]=4 3592 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [0,1,0,1,0,0|2,0,0]=4 3593 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [0,1,0,1,0,0|2,0,0]=4 3594 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [0,1,0,1,0,0|2,0,0]=4 3595 B9R1.137 O=C(O)CC(=O)C1CC1 MCULE-2843513529 [0,1,0,1,0,0|2,0,0]=4 3596 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [0,1,0,1,0,0|2,0,0]=4 3597 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [0,1,0,1,0,0|2,0,0]=4 3598 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [0,1,0,1,0,0|2,0,0]=4 3599 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [0,1,0,1,0,0|2,0,0]=4 3600 B9R1.1 NCC1CCC(=O)CC1 MCULE-6777974410 [0,1,0,1,0,0|2,0,0]=4 3601 B9R1.1 NCC1CCC(=O)CC1 MCULE-8440793392 [0,1,0,1,0,0|2,0,0]=4 3602 B9R1.1 NCC1CCC(=O)NC1 MCULE-5893065665 [0,1,0,1,0,0|2,0,0]=4 3603 B9R1.1 NCC1CCC(=O)NC1 MCULE-9881642861 [0,1,0,1,0,0|2,0,0]=4 3604 B9R1.1 NCC1CCC(CO1)O MCULE-3286854000 [0,1,0,1,0,0|1,0,1]=4 3605 B9R1.1 NCC1CNC(=O)CO1 MCULE-1373630821 [0,1,0,1,0,0|1,0,0]=3 3606 B9R1.1 NCC1CNC(=O)CO1 MCULE-2564136433 [0,1,0,1,0,0|1,0,0]=3 3607 B9R1.1 NC[C@H]1CCC(=O)NC1 MCULE-9489755430 [0,1,0,1,0,0|2,0,0]=4 3608 B9R1.1 O=C1COC(CN1)CBr MCULE-8897613695 [0,1,0,1,0,0|2,0,0]=4 3609 B9R1.1 O=C1COC(CN1)CO MCULE-3703451145 [0,1,0,1,0,0|2,0,0]=4 3610 B9R1.1 O=C1COC(CN1)CO MCULE-5925278805 [0,1,0,1,0,0|2,0,0]=4 3611 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-1871269946 [0,1,0,1,0,0|2,0,0]=4 3612 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-9723228936 [0,1,0,1,0,0|2,0,0]=4 3613 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-2317836867 [0,1,0,1,0,0|2,0,0]=4 3614 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-9180023061 [0,1,0,1,0,0|2,0,0]=4 3615 B9R1.2 CCC1CC(=O)CCO1 MCULE-5885330152 [0,1,0,1,0,0|2,0,0]=4 3616 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [0,1,0,1,0,0|2,0,0]=4 3617 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [0,1,0,1,0,0|2,0,0]=4 3618 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,1,0,0|2,0,0]=4 3619 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,1,0,0|2,0,0]=4 3620 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,1,0,0|2,0,0]=4 3621 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,1,0,0|2,0,0]=4 3622 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,1,0,0|2,0,0]=4 3623 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,1,0,0|2,0,0]=4 3624 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,1,0,0|1,0,0]=3 3625 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,1,0,0|2,0,0]=4 3626 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,1,0,0|2,0,0]=4 3627 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [0,1,0,1,0,0|2,0,0]=4 3628 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [0,1,0,1,0,0|2,0,0]=4 3629 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [0,1,0,1,0,0|2,0,0]=4 3630 B9R1.3 NC1CCCN(C1=O)O MCULE-1786572763 [0,1,0,1,0,0|2,0,0]=4 3631 B9R1.5 CC1OCCCNC1=O MCULE-1643502257 [0,1,0,1,0,0|2,0,0]=4 3632 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,1,0,1,0,0|1,0,1]=4 3633 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,1,0,1,0,0|1,0,1]=4 3634 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,1,0,1,0,0|1,0,1]=4 3635 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,1,0,1,0,0|1,0,1]=4 3636 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,1,0,1,0,0|1,0,1]=4 3637 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,1,0,1,0,0|1,0,1]=4 3638 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [0,1,0,1,0,0|2,0,0]=4 3639 B9R1.5 O=C1CNCCCC1F MCULE-6506742195 [0,1,0,1,0,0|2,0,0]=4 3640 B9R1.5 O=C1CNCCCC1F MCULE-9667202528 [0,1,0,1,0,0|2,0,0]=4 3641 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-1661804964 [0,1,0,1,0,0|2,0,0]=4 3642 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-8456135152 [0,1,0,1,0,0|2,0,0]=4 3643 B9R1.11 CNC(=O)C1CCCN1 MCULE-1783490658 [0,1,0,1,0,0|2,0,0]=4 3644 B9R1.11 CNC(=O)C1CCCN1 MCULE-5014608316 [0,1,0,1,0,0|2,0,0]=4 3645 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-3668444015 [0,1,0,1,0,0|2,0,0]=4 3646 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7344672390 [0,1,0,1,0,0|2,0,0]=4 3647 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7586915644 [0,1,0,1,0,0|2,0,0]=4 3648 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-8093231474 [0,1,0,1,0,0|2,0,0]=4 3649 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-9455499550 [0,1,0,1,0,0|2,0,0]=4 3650 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-1131638831 [0,1,0,1,0,0|2,0,0]=4 3651 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4056775238 [0,1,0,1,0,0|2,0,0]=4 3652 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4223546600 [0,1,0,1,0,0|2,0,0]=4 3653 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-6583071684 [0,1,0,1,0,0|2,0,0]=4 3654 B9R1.11 COC(=O)C1C=CCN1 MCULE-5230080312 [0,1,0,1,0,0|1,0,1]=4 3655 B9R1.11 COC(=O)C1C=CCN1 MCULE-8144796741 [0,1,0,1,0,0|1,0,1]=4 3656 B9R1.11 COC(=O)C1CCCC1 MCULE-6212031690 [0,1,0,1,0,0|2,0,0]=4 3657 B9R1.11 COC(=O)C1CCCN1 MCULE-3132842932 [0,1,0,1,0,0|1,0,0]=3 3658 B9R1.11 COC(=O)C1CCCN1 MCULE-5268897425 [0,1,0,1,0,0|1,0,0]=3 3659 B9R1.11 COC(=O)C1CCCN1 MCULE-6168730709 [0,1,0,1,0,0|1,0,0]=3 3660 B9R1.11 COC(=O)C1CCCN1 MCULE-8316785654 [0,1,0,1,0,0|1,0,0]=3 3661 B9R1.11 COC(=O)C1CCCO1 MCULE-2538391455 [0,1,0,1,0,0|1,0,0]=3 3662 B9R1.11 COC(=O)C1CCCS1 MCULE-8875125328 [0,1,0,1,0,0|1,1,0]=4 3663 B9R1.11 COC(=O)C1CSCN1 MCULE-5351052142 [0,1,0,1,0,0|2,0,0]=4 3664 B9R1.11 COC(=O)C1CSCN1 MCULE-9093296447 [0,1,0,1,0,0|2,0,0]=4 3665 B9R1.11 COC(=O)C1NCCS1 MCULE-8142325663 [0,1,0,1,0,0|0,1,0]=3 3666 B9R1.11 COC(=O)C1[NH2+]CCS1 MCULE-5863059145 [0,1,0,1,0,0|0,1,1]=4 3667 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-1869723316 [0,1,0,1,0,0|1,0,1]=4 3668 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5370163237 [0,1,0,1,0,0|1,0,1]=4 3669 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5818736163 [0,1,0,1,0,0|1,0,1]=4 3670 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-7249261083 [0,1,0,1,0,0|1,0,1]=4 3671 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-1981658590 [0,1,0,1,0,0|1,0,0]=3 3672 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-6907716746 [0,1,0,1,0,0|1,0,0]=3 3673 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-8031793722 [0,1,0,1,0,0|1,0,0]=3 3674 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-9787777328 [0,1,0,1,0,0|1,0,0]=3 3675 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-5459284567 [0,1,0,1,0,0|2,0,0]=4 3676 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-6009801924 [0,1,0,1,0,0|2,0,0]=4 3677 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-1925865650 [0,1,0,1,0,0|1,0,0]=3 3678 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-3950222089 [0,1,0,1,0,0|1,0,0]=3 3679 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-4251030243 [0,1,0,1,0,0|1,0,0]=3 3680 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-8974101732 [0,1,0,1,0,0|1,0,0]=3 3681 B9R1.11 N/C(=N\O)/C1CCCO1 MCULE-2644350923 [0,1,0,1,0,0|2,0,0]=4 3682 B9R1.11 NNC(=O)C1CCCO1 MCULE-7320789673 [0,1,0,1,0,0|2,0,0]=4 3683 B9R1.11 NNC(=O)C1CCCO1 MCULE-9371435722 [0,1,0,1,0,0|2,0,0]=4 3684 B9R1.11 NNC(=O)[C@@H]1CCCO1 MCULE-4678621422 [0,1,0,1,0,0|2,0,0]=4 3685 B9R1.11 NNC(=O)[C@H]1CCCO1 MCULE-2795201954 [0,1,0,1,0,0|2,0,0]=4 3686 B9R1.11 O=C(CBr)C1CCCO1 MCULE-9978996372 [0,1,0,1,0,0|2,0,0]=4 3687 B9R1.11 O=C(CCl)C1CCCN1 MCULE-3650713124 [0,1,0,1,0,0|2,0,0]=4 3688 B9R1.11 O=C(CCl)C1CCCO1 MCULE-4619044936 [0,1,0,1,0,0|2,0,0]=4 3689 B9R1.11 O=C(NO)C1CCCC1 MCULE-3511706426 [0,1,0,1,0,0|2,0,0]=4 3690 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,1,0,1,0,0|2,0,0]=4 3691 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,1,0,1,0,0|2,0,0]=4 3692 B9R1.50 O=C1CCCCCCO1 MCULE-5149380112 [0,1,0,1,0,0|2,0,0]=4 3693 B9R1.50 O=C1CNCCCNC1 MCULE-1626282034 [0,1,0,1,0,0|2,0,0]=4 3694 B9R1.50 O=C1CNCCCNC1 MCULE-7735828109 [0,1,0,1,0,0|2,0,0]=4 3695 B9R1.79 COC(=O)CC1CCC1 MCULE-7297223119 [0,1,0,1,0,0|2,0,0]=4 3696 B9R1.79 COC(=O)CC1CCN1 MCULE-5492491091 [0,1,0,1,0,0|1,0,0]=3 3697 B9R1.79 COC(=O)CC1CCN1 MCULE-7371172089 [0,1,0,1,0,0|1,0,0]=3 3698 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-4458752801 [0,1,0,1,0,0|1,0,0]=3 3699 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-7871731865 [0,1,0,1,0,0|1,0,0]=3 3700 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-3605148245 [0,1,0,1,0,0|1,0,0]=3 3701 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-5459320153 [0,1,0,1,0,0|1,0,0]=3 3702 B9R1.80 COC(=O)CCC1CO1 MCULE-7910688500 [0,1,0,1,0,0|2,0,0]=4 3703 B9R1.80 COC(=O)CNC1CC1 MCULE-9357505044 [0,1,0,1,0,0|2,0,0]=4 3704 B9R1.80 COC(=O)CNC1CC1 MCULE-9589370378 [0,1,0,1,0,0|2,0,0]=4 3705 B9R1.81 COC(=O)C1CCC1N MCULE-4693145444 [0,1,0,1,0,0|1,0,0]=3 3706 B9R1.81 COC(=O)C1CCC1N MCULE-6349653007 [0,1,0,1,0,0|1,0,0]=3 3707 B9R1.81 COC(=O)C1CCC1N MCULE-9208418191 [0,1,0,1,0,0|1,0,0]=3 3708 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3799679764 [0,1,0,1,0,0|1,0,0]=3 3709 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3866135678 [0,1,0,1,0,0|1,0,0]=3 3710 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-5783135311 [0,1,0,1,0,0|1,0,0]=3 3711 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7358443789 [0,1,0,1,0,0|1,0,0]=3 3712 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7787337160 [0,1,0,1,0,0|1,0,0]=3 3713 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-9352998200 [0,1,0,1,0,0|1,0,0]=3 3714 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-5985438267 [0,1,0,1,0,0|1,0,0]=3 3715 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-6739441737 [0,1,0,1,0,0|1,0,0]=3 3716 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8406342632 [0,1,0,1,0,0|1,0,0]=3 3717 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8945046053 [0,1,0,1,0,0|1,0,0]=3 3718 B9R1.81 COC(=O)[C@H]1CC[C@H]1N MCULE-7383295864 [0,1,0,1,0,0|1,0,0]=3 3719 B9R1.88 COC(=O)C1CC1CN MCULE-1236079239 [0,1,0,1,0,0|1,0,0]=3 3720 B9R1.88 COC(=O)C1CC1CN MCULE-4562850748 [0,1,0,1,0,0|1,0,0]=3 3721 B9R1.88 COC(=O)C1CC1CO MCULE-5565427339 [0,1,0,1,0,0|2,0,0]=4 3722 B9R1.88 COC(=O)[C@@H]1C[C@H]1CBr MCULE-3300025556 [0,1,0,1,0,0|2,0,0]=4 3723 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-3830996710 [0,1,0,1,0,0|2,0,0]=4 3724 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-8401143479 [0,1,0,1,0,0|2,0,0]=4 3725 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO MCULE-2397945276 [0,1,0,1,0,0|2,0,0]=4 3726 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO MCULE-8447681594 [0,1,0,1,0,0|1,0,0]=3 3727 B9R1.89 OCC1CNCCOC1 MCULE-9049672869 [0,1,0,1,0,0|1,0,1]=4 3728 B9R1.118 CC1(COCCN1)CO MCULE-1204894568 [0,1,0,1,0,0|1,0,1]=4 3729 B9R1.132 CN1C(=O)CCC1CN MCULE-5871779409 [0,1,0,1,0,0|2,0,0]=4 3730 B9R1.132 CN1C(=O)CCC1CN MCULE-8080412333 [0,1,0,1,0,0|2,0,0]=4 3731 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-8818444582 [0,1,0,1,0,0|2,0,0]=4 3732 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-9421193159 [0,1,0,1,0,0|2,0,0]=4 3733 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-2222415070 [0,1,0,1,0,0|2,0,0]=4 3734 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-5580238692 [0,1,0,1,0,0|2,0,0]=4 3735 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [0,1,0,1,0,0|2,0,0]=4 3736 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [0,1,0,1,0,0|2,0,0]=4 3737 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,1,0,1,0,0|1,0,0]=3 3738 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,1,0,1,0,0|1,0,0]=3 3739 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,1,0,1,0,0|1,0,0]=3 3740 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,1,0,1,0,0|0,0,0]=2 3741 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,1,0,1,0,0|0,0,0]=2 3742 B9R1.6 C=C(O)C1CNCCN1 MCULE-4032832858 [0,1,0,1,0,0|2,0,0]=4 3743 B9R1.6 C=C(O)C1CNCCN1 MCULE-7014741917 [0,1,0,1,0,0|2,0,0]=4 3744 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,1,0,1,0,0|2,0,0]=4 3745 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,1,0,1,0,0|2,0,0]=4 3746 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,1,0,1,0,0|2,0,0]=4 3747 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [0,1,0,1,0,0|2,0,0]=4 3748 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [0,1,0,1,0,0|2,0,0]=4 3749 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [0,1,0,1,0,0|2,0,0]=4 3750 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [0,1,0,1,0,0|1,0,0]=3 3751 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [0,1,0,1,0,0|1,0,0]=3 3752 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [0,1,0,1,0,0|2,0,0]=4 3753 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,1,0,1,0,0|2,0,0]=4 3754 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,1,0,1,0,0|2,0,0]=4 3755 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,1,0,1,0,0|2,0,0]=4 3756 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,1,0,1,0,0|2,0,0]=4 3757 B9R1.6 CC(O)C1CNCCO1 MCULE-5611108274 [0,1,0,1,0,0|1,0,1]=4 3758 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,1,0,1,0,0|2,0,0]=4 3759 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,1,0,1,0,0|2,0,0]=4 3760 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [0,1,0,1,0,0|2,0,0]=4 3761 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [0,1,0,1,0,0|2,0,0]=4 3762 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [0,1,0,1,0,0|2,0,0]=4 3763 B9R1.6 NC(=O)C1CNCCN1 MCULE-6032361805 [0,1,0,1,0,0|2,0,0]=4 3764 B9R1.6 NC(=O)C1CNCCN1 MCULE-7459621704 [0,1,0,1,0,0|2,0,0]=4 3765 B9R1.6 NC(=O)C1CNCCO1 MCULE-7045289444 [0,1,0,1,0,0|1,0,0]=3 3766 B9R1.6 NC(=O)C1CNCCO1 MCULE-8403360257 [0,1,0,1,0,0|1,0,0]=3 3767 B9R1.6 NC(=O)C1CNCCO1 MCULE-8477654103 [0,1,0,1,0,0|1,0,0]=3 3768 B9R1.6 NC(=O)C1COCCN1 MCULE-3997305592 [0,1,0,1,0,0|1,0,0]=3 3769 B9R1.6 NC(=O)C1COCCN1 MCULE-8679226087 [0,1,0,1,0,0|1,0,0]=3 3770 B9R1.6 NC(=O)C1CSCCN1 MCULE-5519659168 [0,1,0,1,0,0|1,1,0]=4 3771 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [0,1,0,1,0,0|2,0,0]=4 3772 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [0,1,0,1,0,0|2,0,0]=4 3773 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [0,1,0,1,0,0|2,0,0]=4 3774 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [0,1,0,1,0,0|2,0,0]=4 3775 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3203472135 [0,1,0,1,0,0|2,0,0]=4 3776 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3866777440 [0,1,0,1,0,0|2,0,0]=4 3777 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-6105431602 [0,1,0,1,0,0|2,0,0]=4 3778 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-7727900968 [0,1,0,1,0,0|2,0,0]=4 3779 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,1,0,1,0,0|2,0,0]=4 3780 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [0,1,0,1,0,0|2,0,0]=4 3781 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [0,1,0,1,0,0|2,0,0]=4 3782 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [0,1,0,1,0,0|2,0,0]=4 3783 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [0,1,0,1,0,0|2,0,0]=4 3784 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-1527418805 [0,1,0,1,0,0|2,0,0]=4 3785 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-6529490056 [0,1,0,1,0,0|2,0,0]=4 3786 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-9894216692 [0,1,0,1,0,0|2,0,0]=4 3787 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-1904729907 [0,1,0,1,0,0|1,0,0]=3 3788 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7069433109 [0,1,0,1,0,0|1,0,0]=3 3789 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7970834070 [0,1,0,1,0,0|1,0,0]=3 3790 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-9117686776 [0,1,0,1,0,0|1,0,0]=3 3791 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [0,1,0,1,0,0|2,0,0]=4 3792 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,1,0,1,0,0|2,0,0]=4 3793 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,1,0,1,0,0|1,0,1]=4 3794 B9R1.6 O=C(O)C1=CCCNC1 MCULE-7878143035 [0,1,0,1,0,0|1,0,1]=4 3795 B9R1.6 O=C(O)C1=CCCNC1 MCULE-9382105537 [0,1,0,1,0,0|1,0,1]=4 3796 B9R1.6 O=C(O)C1=CCCOC1 MCULE-4597846034 [0,1,0,1,0,0|1,0,0]=3 3797 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [0,1,0,1,0,0|1,1,0]=4 3798 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [0,1,0,1,0,0|1,0,1]=4 3799 B9R1.6 O=C(O)C1=COCCO1 MCULE-9406944236 [0,1,0,1,0,0|1,0,1]=4 3800 B9R1.6 O=C(O)C1=NNCCC1 MCULE-7500831474 [0,1,0,1,0,0|1,0,1]=4 3801 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,1,0,1,0,0|2,0,0]=4 3802 B9R1.6 O=C(O)C1CC=CCO1 MCULE-5751437850 [0,1,0,1,0,0|1,0,1]=4 3803 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [0,1,0,1,0,0|1,0,1]=4 3804 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,1,0,1,0,0|2,0,0]=4 3805 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,1,0,1,0,0|1,0,0]=3 3806 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,1,0,1,0,0|1,0,0]=3 3807 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,1,0,1,0,0|1,0,0]=3 3808 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,1,0,1,0,0|1,0,0]=3 3809 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,1,0,1,0,0|1,0,0]=3 3810 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,1,0,1,0,0|1,1,0]=4 3811 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,1,0,1,0,0|1,0,0]=3 3812 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,1,0,1,0,0|1,0,0]=3 3813 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,1,0,1,0,0|1,0,0]=3 3814 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,1,0,1,0,0|1,0,0]=3 3815 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,1,0,1,0,0|1,0,0]=3 3816 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,1,0,1,0,0|1,0,0]=3 3817 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,1,0,1,0,0|1,1,0]=4 3818 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,1,0,1,0,0|2,0,0]=4 3819 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,1,0,1,0,0|2,0,0]=4 3820 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,1,0,1,0,0|2,0,0]=4 3821 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,1,0,1,0,0|1,0,0]=3 3822 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,1,0,1,0,0|1,0,0]=3 3823 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,1,0,1,0,0|2,0,0]=4 3824 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,1,0,1,0,0|1,0,0]=3 3825 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,1,0,1,0,0|1,0,0]=3 3826 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,1,0,1,0,0|1,0,0]=3 3827 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,1,0,1,0,0|1,0,0]=3 3828 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,1,0,1,0,0|1,0,0]=3 3829 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,1,0,1,0,0|0,0,0]=2 3830 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,1,0,1,0,0|0,0,0]=2 3831 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,1,0,1,0,0|0,0,0]=2 3832 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,1,0,1,0,0|0,0,0]=2 3833 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [0,1,0,1,0,0|0,1,0]=3 3834 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [0,1,0,1,0,0|0,1,0]=3 3835 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,1,0,1,0,0|0,0,0]=2 3836 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,1,0,1,0,0|0,0,0]=2 3837 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,1,0,1,0,0|1,0,0]=3 3838 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,1,0,1,0,0|1,0,0]=3 3839 B9R1.6 O=C(O)C1COCOC1 MCULE-4867087023 [0,1,0,1,0,0|2,0,0]=4 3840 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,1,0,1,0,0|0,1,0]=3 3841 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,1,0,1,0,0|0,1,0]=3 3842 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,1,0,1,0,0|1,1,0]=4 3843 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,1,0,1,0,0|0,1,0]=3 3844 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,1,0,1,0,0|1,0,0]=3 3845 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [0,1,0,1,0,0|1,1,0]=4 3846 B9R1.6 O=C(O)C1SCSCS1 MCULE-6847986458 [0,1,0,1,0,0|1,1,0]=4 3847 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,1,0,1,0,0|2,0,0]=4 3848 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,1,0,1,0,0|2,0,0]=4 3849 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,1,0,1,0,0|1,0,0]=3 3850 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,1,0,1,0,0|1,0,0]=3 3851 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,1,0,1,0,0|1,0,0]=3 3852 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,1,0,1,0,0|1,0,0]=3 3853 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,1,0,1,0,0|1,0,0]=3 3854 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,1,0,1,0,0|1,0,0]=3 3855 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,1,0,1,0,0|1,0,0]=3 3856 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,1,0,1,0,0|1,0,0]=3 3857 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,1,0,1,0,0|1,0,0]=3 3858 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,1,0,1,0,0|1,0,0]=3 3859 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,1,0,1,0,0|1,0,0]=3 3860 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,1,0,1,0,0|1,0,0]=3 3861 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,1,0,1,0,0|1,0,0]=3 3862 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,1,0,1,0,0|1,0,0]=3 3863 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,1,0,1,0,0|1,0,0]=3 3864 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,1,0,1,0,0|1,0,0]=3 3865 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,1,0,1,0,0|1,0,0]=3 3866 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,1,0,1,0,0|1,0,0]=3 3867 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,1,0,1,0,0|1,0,0]=3 3868 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,1,0,1,0,0|0,0,0]=2 3869 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,1,0,1,0,0|0,0,0]=2 3870 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,1,0,1,0,0|0,0,0]=2 3871 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,1,0,1,0,0|0,0,0]=2 3872 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [0,1,0,1,0,0|0,1,0]=3 3873 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,1,0,1,0,0|0,0,0]=2 3874 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,1,0,1,0,0|0,0,0]=2 3875 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,1,0,1,0,0|0,0,0]=2 3876 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,1,0,1,0,0|0,0,0]=2 3877 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,1,0,1,0,0|1,0,0]=3 3878 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,1,0,1,0,0|1,0,0]=3 3879 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,1,0,1,0,0|0,1,0]=3 3880 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,1,0,1,0,0|0,1,0]=3 3881 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,1,0,1,0,0|0,1,0]=3 3882 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,1,0,1,0,0|1,0,0]=3 3883 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,1,0,1,0,0|1,0,0]=3 3884 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,1,0,1,0,0|1,0,0]=3 3885 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,1,0,1,0,0|1,0,0]=3 3886 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,1,0,1,0,0|1,0,0]=3 3887 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,1,0,1,0,0|1,0,0]=3 3888 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,1,0,1,0,0|1,0,0]=3 3889 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,1,0,1,0,0|1,0,0]=3 3890 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,1,0,1,0,0|1,0,0]=3 3891 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,1,0,1,0,0|1,0,0]=3 3892 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,1,0,1,0,0|1,0,0]=3 3893 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,1,0,1,0,0|1,0,0]=3 3894 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,1,0,1,0,0|1,0,0]=3 3895 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,1,0,1,0,0|1,0,0]=3 3896 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,1,0,1,0,0|1,1,0]=4 3897 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,1,0,1,0,0|1,0,0]=3 3898 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,1,0,1,0,0|1,0,0]=3 3899 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,1,0,1,0,0|1,0,0]=3 3900 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,1,0,1,0,0|1,0,0]=3 3901 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,1,0,1,0,0|1,0,0]=3 3902 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,1,0,1,0,0|0,0,0]=2 3903 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,1,0,1,0,0|0,0,0]=2 3904 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,1,0,1,0,0|0,0,0]=2 3905 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,1,0,1,0,0|0,0,0]=2 3906 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [0,1,0,1,0,0|0,1,0]=3 3907 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,1,0,1,0,0|0,0,0]=2 3908 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,1,0,1,0,0|0,0,0]=2 3909 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,1,0,1,0,0|0,0,0]=2 3910 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,1,0,1,0,0|0,0,0]=2 3911 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,1,0,1,0,0|1,0,0]=3 3912 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,1,0,1,0,0|1,0,0]=3 3913 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,1,0,1,0,0|0,1,0]=3 3914 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,1,0,1,0,0|0,1,0]=3 3915 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,1,0,1,0,0|0,1,0]=3 3916 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,1,0,1,0,0|1,0,1]=4 3917 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,1,0,1,0,0|0,1,0]=3 3918 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,1,0,1,0,0|2,0,0]=4 3919 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [0,1,0,1,0,0|2,0,0]=4 3920 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [0,1,0,1,0,0|2,0,0]=4 3921 B9R1.84 O=C(O)CNC1COC1 MCULE-3211874256 [0,1,0,1,0,0|2,0,0]=4 3922 B9R1.84 O=C(O)CNC1COC1 MCULE-8317257994 [0,1,0,1,0,0|2,0,0]=4 3923 B9R1.84 O=C(O)COC1CCC1 MCULE-3354883487 [0,1,0,1,0,0|1,0,0]=3 3924 B9R1.84 O=C(O)COC1CNC1 MCULE-6412418210 [0,1,0,1,0,0|0,0,0]=2 3925 B9R1.85 O=C(O)CCCC1CC1 MCULE-4019156455 [0,1,0,1,0,0|2,0,0]=4 3926 B9R1.85 O=C(O)CCNC1CC1 MCULE-2302148090 [0,1,0,1,0,0|2,0,0]=4 3927 B9R1.85 O=C(O)CCNC1CC1 MCULE-5027011962 [0,1,0,1,0,0|2,0,0]=4 3928 B9R1.85 O=C(O)CCOC1CC1 MCULE-6940104376 [0,1,0,1,0,0|1,0,0]=3 3929 B9R1.85 O=C(O)CCSC1CC1 MCULE-5319803876 [0,1,0,1,0,0|1,1,0]=4 3930 B9R1.85 O=C(O)CNCC1CC1 MCULE-2914571109 [0,1,0,1,0,0|2,0,0]=4 3931 B9R1.85 O=C(O)CNCC1CC1 MCULE-8479764724 [0,1,0,1,0,0|2,0,0]=4 3932 B9R1.85 O=C(O)COCC1CC1 MCULE-1838251623 [0,1,0,1,0,0|1,0,0]=3 3933 B9R1.85 O=C(O)CSCC1CC1 MCULE-7765855577 [0,1,0,1,0,0|1,1,0]=4 3934 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [0,1,0,1,0,0|2,0,0]=4 3935 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [0,1,0,1,0,0|2,0,0]=4 3936 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [0,1,0,1,0,0|2,0,0]=4 3937 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [0,1,0,1,0,0|2,0,0]=4 3938 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [0,1,0,1,0,0|2,0,0]=4 3939 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [0,1,0,1,0,0|2,0,0]=4 3940 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [0,1,0,1,0,0|2,0,0]=4 3941 B9R1.96 N#CC1CCC1C(=O)O MCULE-1939970378 [0,1,0,1,0,0|1,0,1]=4 3942 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [0,1,0,1,0,0|2,0,0]=4 3943 B9R1.148 CC1(CNCCOC1)O MCULE-5821906686 [0,1,0,1,0,0|1,0,1]=4 3944 B9R1.148 CC1(CNCCOC1)O MCULE-7620136387 [0,1,0,1,0,0|1,0,1]=4 3945 B9R1.23 CC1N=C(OC1=O)CN MCULE-6614231962 [0,1,0,1,0,0|1,0,1]=4 3946 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-1843344905 [0,1,0,1,0,0|2,0,0]=4 3947 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-7113883697 [0,1,0,1,0,0|2,0,0]=4 3948 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,1,0,1,0,0|1,0,1]=4 3949 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,1,0,1,0,0|2,0,0]=4 3950 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,1,0,1,0,0|1,0,0]=3 3951 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,1,0,1,0,0|1,0,0]=3 3952 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,1,0,1,0,0|1,0,0]=3 3953 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,1,0,1,0,0|1,0,0]=3 3954 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,1,0,1,0,0|1,0,0]=3 3955 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,1,0,1,0,0|1,0,0]=3 3956 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,1,0,1,0,0|2,0,0]=4 3957 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,1,0,1,0,0|2,0,0]=4 3958 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,1,0,1,0,0|1,0,0]=3 3959 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,1,0,1,0,0|1,0,0]=3 3960 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,1,0,1,0,0|1,0,0]=3 3961 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,1,0,1,0,0|1,0,0]=3 3962 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,1,0,1,0,0|1,0,0]=3 3963 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,1,0,1,0,0|1,0,0]=3 3964 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,1,0,1,0,0|1,0,0]=3 3965 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,1,0,1,0,0|1,0,0]=3 3966 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,1,0,1,0,0|1,0,0]=3 3967 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,1,0,1,0,0|1,0,0]=3 3968 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,1,0,1,0,0|1,0,0]=3 3969 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,1,0,1,0,0|1,0,0]=3 3970 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,1,0,1,0,0|1,0,0]=3 3971 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,1,0,1,0,0|1,0,0]=3 3972 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,1,0,1,0,0|1,0,0]=3 3973 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,1,0,1,0,0|1,0,0]=3 3974 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,1,0,1,0,0|1,0,0]=3 3975 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,1,0,1,0,0|1,0,0]=3 3976 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,1,0,1,0,0|1,0,0]=3 3977 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,1,0,1,0,0|1,0,0]=3 3978 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,1,0,1,0,0|1,0,0]=3 3979 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,1,0,1,0,0|1,0,0]=3 3980 B9R1.35 NC(=O)C1CC(CN1)F MCULE-8271084148 [0,1,0,1,0,0|2,0,0]=4 3981 B9R1.35 NC(=O)C1CC(CN1)F MCULE-9864087367 [0,1,0,1,0,0|2,0,0]=4 3982 B9R1.35 NC(=O)C1CC(CN1)O MCULE-8628888959 [0,1,0,1,0,0|2,0,0]=4 3983 B9R1.35 NC(=O)C1CC(CN1)O MCULE-9327040437 [0,1,0,1,0,0|2,0,0]=4 3984 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,1,0,1,0,0|2,0,0]=4 3985 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,1,0,1,0,0|2,0,0]=4 3986 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-1115995515 [0,1,0,1,0,0|2,0,0]=4 3987 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-3958905536 [0,1,0,1,0,0|2,0,0]=4 3988 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-5421731805 [0,1,0,1,0,0|2,0,0]=4 3989 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-9864372515 [0,1,0,1,0,0|2,0,0]=4 3990 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-1506534259 [0,1,0,1,0,0|2,0,0]=4 3991 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-4335155413 [0,1,0,1,0,0|2,0,0]=4 3992 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2111867079 [0,1,0,1,0,0|2,0,0]=4 3993 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2486268743 [0,1,0,1,0,0|2,0,0]=4 3994 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-8625619596 [0,1,0,1,0,0|2,0,0]=4 3995 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-1442980635 [0,1,0,1,0,0|2,0,0]=4 3996 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-4854132547 [0,1,0,1,0,0|2,0,0]=4 3997 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-8175631848 [0,1,0,1,0,0|2,0,0]=4 3998 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-9092665787 [0,1,0,1,0,0|2,0,0]=4 3999 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-1212665796 [0,1,0,1,0,0|2,0,0]=4 4000 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2172080185 [0,1,0,1,0,0|2,0,0]=4 4001 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2463066874 [0,1,0,1,0,0|2,0,0]=4 4002 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-7245012102 [0,1,0,1,0,0|2,0,0]=4 4003 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-7513224290 [0,1,0,1,0,0|1,0,1]=4 4004 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-8369262706 [0,1,0,1,0,0|1,0,1]=4 4005 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [0,1,0,1,0,0|1,0,1]=4 4006 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [0,1,0,1,0,0|1,0,1]=4 4007 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,1,0,1,0,0|1,0,0]=3 4008 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,1,0,1,0,0|1,0,0]=3 4009 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,1,0,1,0,0|1,0,0]=3 4010 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,1,0,1,0,0|1,0,0]=3 4011 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-2058033578 [0,1,0,1,0,0|1,0,1]=4 4012 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-3535904120 [0,1,0,1,0,0|1,0,1]=4 4013 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-7864688668 [0,1,0,1,0,0|1,0,1]=4 4014 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-9488093105 [0,1,0,1,0,0|1,0,1]=4 4015 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,1,0,1,0,0|1,0,0]=3 4016 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,1,0,1,0,0|1,0,0]=3 4017 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,1,0,1,0,0|1,0,0]=3 4018 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,1,0,1,0,0|1,0,0]=3 4019 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,1,0,1,0,0|1,0,0]=3 4020 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,1,0,1,0,0|1,0,0]=3 4021 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,1,0,1,0,0|1,0,0]=3 4022 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,1,0,1,0,0|1,0,0]=3 4023 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,1,0,1,0,0|1,0,0]=3 4024 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,1,0,1,0,0|1,0,0]=3 4025 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,1,0,1,0,0|1,0,0]=3 4026 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,1,0,1,0,0|1,0,0]=3 4027 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,1,0,1,0,0|1,0,0]=3 4028 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,1,0,1,0,0|1,0,0]=3 4029 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,1,0,1,0,0|1,0,0]=3 4030 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,1,0,1,0,0|1,0,0]=3 4031 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-1866924065 [0,1,0,1,0,0|1,0,1]=4 4032 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-5420586850 [0,1,0,1,0,0|1,0,1]=4 4033 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-6933168017 [0,1,0,1,0,0|1,0,1]=4 4034 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-1923367161 [0,1,0,1,0,0|1,0,1]=4 4035 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2558762790 [0,1,0,1,0,0|1,0,1]=4 4036 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2767032719 [0,1,0,1,0,0|1,0,1]=4 4037 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-3230012761 [0,1,0,1,0,0|1,0,1]=4 4038 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-5898455500 [0,1,0,1,0,0|1,0,1]=4 4039 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-8841082803 [0,1,0,1,0,0|1,0,1]=4 4040 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,1,0,1,0,0|1,0,0]=3 4041 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,1,0,1,0,0|1,0,0]=3 4042 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,1,0,1,0,0|1,0,0]=3 4043 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,1,0,1,0,0|1,0,0]=3 4044 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,1,0,1,0,0|1,0,0]=3 4045 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,1,0,1,0,0|1,0,0]=3 4046 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,1,0,1,0,0|1,0,0]=3 4047 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,1,0,1,0,0|1,0,0]=3 4048 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,1,0,1,0,0|1,0,0]=3 4049 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,1,0,1,0,0|1,0,0]=3 4050 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,1,0,1,0,0|1,0,0]=3 4051 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,1,0,1,0,0|1,0,0]=3 4052 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,1,0,1,0,0|1,0,0]=3 4053 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,1,0,1,0,0|1,0,0]=3 4054 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,1,0,1,0,0|1,0,0]=3 4055 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,1,0,1,0,0|1,0,0]=3 4056 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,1,0,1,0,0|1,0,0]=3 4057 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,1,0,1,0,0|1,0,0]=3 4058 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,1,0,1,0,0|1,0,0]=3 4059 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,1,0,1,0,0|1,0,0]=3 4060 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,1,0,1,0,0|1,0,0]=3 4061 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,1,0,1,0,0|1,0,0]=3 4062 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,1,0,1,0,0|1,0,0]=3 4063 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,1,0,1,0,0|1,0,0]=3 4064 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,1,0,1,0,0|1,0,0]=3 4065 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,1,0,1,0,0|1,0,0]=3 4066 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,1,0,1,0,0|2,0,0]=4 4067 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,1,0,1,0,0|2,0,0]=4 4068 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,1,0,1,0,0|2,0,0]=4 4069 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,1,0,1,0,0|1,0,0]=3 4070 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,1,0,1,0,0|1,0,0]=3 4071 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,1,0,1,0,0|1,0,0]=3 4072 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,1,0,1,0,0|1,0,0]=3 4073 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,1,0,1,0,0|2,0,0]=4 4074 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,1,0,1,0,0|2,0,0]=4 4075 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,1,0,1,0,0|2,0,0]=4 4076 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,1,0,1,0,0|1,0,0]=3 4077 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,1,0,1,0,0|1,0,0]=3 4078 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,1,0,1,0,0|1,0,0]=3 4079 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,1,0,1,0,0|1,0,0]=3 4080 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,1,0,1,0,0|1,0,0]=3 4081 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,1,0,1,0,0|1,0,0]=3 4082 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,1,0,1,0,0|1,0,0]=3 4083 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,1,0,1,0,0|1,0,0]=3 4084 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,1,0,1,0,0|1,0,0]=3 4085 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,1,0,1,0,0|1,0,0]=3 4086 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,1,0,1,0,0|1,0,0]=3 4087 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,1,0,1,0,0|1,0,0]=3 4088 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,1,0,1,0,0|1,0,0]=3 4089 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,1,0,1,0,0|1,0,0]=3 4090 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,1,0,1,0,0|1,0,0]=3 4091 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,1,0,1,0,0|1,0,0]=3 4092 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,1,0,1,0,0|1,0,0]=3 4093 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,1,0,1,0,0|1,0,0]=3 4094 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,1,0,1,0,0|1,0,0]=3 4095 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,1,0,1,0,0|1,0,0]=3 4096 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,1,0,1,0,0|1,0,0]=3 4097 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,1,0,1,0,0|1,0,0]=3 4098 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,1,0,1,0,0|1,0,0]=3 4099 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,1,0,1,0,0|1,0,0]=3 4100 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,1,0,1,0,0|1,0,0]=3 4101 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,1,0,1,0,0|1,0,0]=3 4102 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,1,0,1,0,0|1,0,0]=3 4103 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,1,0,1,0,0|1,0,0]=3 4104 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,1,0,1,0,0|1,0,0]=3 4105 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,1,0,1,0,0|2,0,0]=4 4106 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,1,0,1,0,0|2,0,0]=4 4107 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,1,0,1,0,0|2,0,0]=4 4108 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,1,0,1,0,0|1,0,0]=3 4109 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,1,0,1,0,0|1,0,0]=3 4110 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,1,0,1,0,0|1,0,0]=3 4111 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,1,0,1,0,0|1,0,0]=3 4112 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,1,0,1,0,0|1,0,0]=3 4113 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,1,0,1,0,0|1,0,0]=3 4114 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,1,0,1,0,0|1,0,0]=3 4115 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,1,0,1,0,0|1,0,0]=3 4116 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,1,0,1,0,0|1,0,0]=3 4117 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,1,0,1,0,0|1,0,0]=3 4118 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,1,0,1,0,0|1,0,0]=3 4119 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,1,0,1,0,0|1,0,0]=3 4120 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,1,0,1,0,0|1,0,0]=3 4121 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,1,0,1,0,0|1,0,0]=3 4122 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,1,0,1,0,0|1,0,0]=3 4123 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,1,0,1,0,0|1,0,0]=3 4124 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,1,0,1,0,0|1,0,1]=4 4125 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,1,0,1,0,0|1,0,1]=4 4126 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,1,0,1,0,0|1,0,1]=4 4127 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,1,0,1,0,0|1,0,1]=4 4128 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,1,0,1,0,0|1,0,1]=4 4129 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,1,0,1,0,0|1,0,1]=4 4130 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,1,0,1,0,0|1,0,1]=4 4131 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,1,0,1,0,0|1,0,1]=4 4132 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,1,0,1,0,0|1,0,1]=4 4133 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,1,0,1,0,0|1,0,1]=4 4134 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,1,0,1,0,0|1,0,1]=4 4135 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,1,0,1,0,0|1,0,1]=4 4136 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,1,0,1,0,0|1,0,1]=4 4137 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,1,0,1,0,0|1,0,1]=4 4138 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,1,0,1,0,0|1,0,1]=4 4139 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,1,0,1,0,0|1,0,1]=4 4140 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,1,0,1,0,0|1,0,1]=4 4141 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,1,0,1,0,0|1,0,1]=4 4142 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,1,0,1,0,0|1,0,1]=4 4143 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,1,0,1,0,0|1,0,1]=4 4144 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,1,0,1,0,0|1,0,1]=4 4145 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,1,0,1,0,0|1,0,0]=3 4146 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,1,0,1,0,0|1,0,0]=3 4147 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,1,0,1,0,0|1,0,0]=3 4148 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2355223336 [0,1,0,1,0,0|2,0,0]=4 4149 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2483830451 [0,1,0,1,0,0|2,0,0]=4 4150 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,1,0,1,0,0|1,0,0]=3 4151 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,1,0,1,0,0|1,0,0]=3 4152 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,1,0,1,0,0|1,0,0]=3 4153 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,1,0,1,0,0|1,0,0]=3 4154 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,1,0,1,0,0|1,0,0]=3 4155 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,1,0,1,0,0|1,0,0]=3 4156 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,1,0,1,0,0|1,0,1]=4 4157 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,1,0,1,0,0|2,0,0]=4 4158 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,1,0,1,0,0|2,0,0]=4 4159 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,1,0,1,0,0|2,0,0]=4 4160 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,1,0,1,0,0|1,0,0]=3 4161 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,1,0,1,0,0|1,0,0]=3 4162 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,1,0,1,0,0|1,0,0]=3 4163 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,1,0,1,0,0|1,0,0]=3 4164 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,1,0,1,0,0|2,0,0]=4 4165 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,1,0,1,0,0|2,0,0]=4 4166 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,1,0,1,0,0|2,0,0]=4 4167 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,1,0,1,0,0|2,0,0]=4 4168 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,1,0,1,0,0|2,0,0]=4 4169 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,1,0,1,0,0|2,0,0]=4 4170 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,1,0,1,0,0|2,0,0]=4 4171 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,1,0,1,0,0|2,0,0]=4 4172 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,1,0,1,0,0|2,0,0]=4 4173 B9R1.110 CC(C(=O)O)N1CCC1 MCULE-9923940575 [0,1,0,1,0,0|2,0,0]=4 4174 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,1,0,1,0,0|2,0,0]=4 4175 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,1,0,1,0,0|2,0,0]=4 4176 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,1,0,1,0,0|2,0,0]=4 4177 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,1,0,1,0,0|2,0,0]=4 4178 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,1,0,1,0,0|2,0,0]=4 4179 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,1,0,1,0,0|2,0,0]=4 4180 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,1,0,1,0,0|2,0,0]=4 4181 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,1,0,1,0,0|2,0,0]=4 4182 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,1,0,1,0,0|2,0,0]=4 4183 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,1,0,1,0,0|2,0,0]=4 4184 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,1,0,1,0,0|2,0,0]=4 4185 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,1,0,1,0,0|2,0,0]=4 4186 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,1,0,1,0,0|2,0,0]=4 4187 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,1,0,1,0,0|2,0,0]=4 4188 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,1,0,1,0,0|2,0,0]=4 4189 B9R1.112 CC(SC1CC1)C(=O)O MCULE-6918133296 [0,1,0,1,0,0|1,1,0]=4 4190 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [0,1,0,1,0,0|2,0,0]=4 4191 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [0,1,0,1,0,0|2,0,0]=4 4192 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,1,0,1,0,0|2,0,0]=4 4193 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,1,0,1,0,0|2,0,0]=4 4194 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,1,0,1,0,0|2,0,0]=4 4195 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,1,0,1,0,0|2,0,0]=4 4196 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,1,0,1,0,0|2,0,0]=4 4197 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,1,0,1,0,0|2,0,0]=4 4198 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,1,0,1,0,0|2,0,0]=4 4199 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,1,0,1,0,0|2,0,0]=4 4200 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,1,0,1,0,0|2,0,0]=4 4201 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,1,0,1,0,0|2,0,0]=4 4202 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,1,0,1,0,0|2,0,0]=4 4203 B9R1.163 CC(=O)C1(CCCO1)C MCULE-3832225855 [0,1,0,1,0,0|2,0,0]=4 4204 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,1,0,1,0,0|2,0,0]=4 4205 B9R1.163 CC1(CCCN1)C(=O)N MCULE-1073156492 [0,1,0,1,0,0|2,0,0]=4 4206 B9R1.163 CC1(CCCN1)C(=O)N MCULE-4207908355 [0,1,0,1,0,0|2,0,0]=4 4207 B9R1.163 CC1(CCCN1)C(=O)N MCULE-5102556329 [0,1,0,1,0,0|2,0,0]=4 4208 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,1,0,1,0,0|1,0,0]=3 4209 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,1,0,1,0,0|1,0,0]=3 4210 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,1,0,1,0,0|1,0,0]=3 4211 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,1,0,1,0,0|1,0,0]=3 4212 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,1,0,1,0,0|1,0,0]=3 4213 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,1,0,1,0,0|1,0,0]=3 4214 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,1,0,1,0,0|1,1,0]=4 4215 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [0,1,0,1,0,0|0,1,0]=3 4216 B9R1.163 CC1(OCCO1)C(=O)O MCULE-6576803543 [0,1,0,1,0,0|1,0,0]=3 4217 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,1,0,1,0,0|1,0,0]=3 4218 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,1,0,1,0,0|1,0,0]=3 4219 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,1,0,1,0,0|1,0,0]=3 4220 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,1,0,1,0,0|1,0,0]=3 4221 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,1,0,1,0,0|1,0,0]=3 4222 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-4783754920 [0,1,0,1,0,0|2,0,0]=4 4223 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-7441682522 [0,1,0,1,0,0|2,0,0]=4 4224 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-8011663424 [0,1,0,1,0,0|2,0,0]=4 4225 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,1,0,1,0,0|1,0,0]=3 4226 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,1,0,1,0,0|1,0,0]=3 4227 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,1,0,1,0,0|1,0,0]=3 4228 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,1,0,1,0,0|1,0,0]=3 4229 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,1,0,1,0,0|1,0,0]=3 4230 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,1,0,1,0,0|2,0,0]=4 4231 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,1,0,1,0,0|2,0,0]=4 4232 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,1,0,1,0,0|2,0,0]=4 4233 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,1,0,1,0,0|2,0,0]=4 4234 B9R1.125 CC1(CCC(=O)N1)CN MCULE-5027285094 [0,1,0,1,0,0|2,0,0]=4 4235 B9R1.125 CC1(CCC(=O)N1)CN MCULE-6327832088 [0,1,0,1,0,0|2,0,0]=4 4236 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,1,0,1,0,0|2,0,0]=4 4237 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,1,0,1,0,0|2,0,0]=4 4238 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,1,0,1,0,0|2,0,0]=4 4239 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,1,0,1,0,0|2,0,0]=4 4240 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-1507527616 [0,1,0,1,0,0|2,0,0]=4 4241 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-9994872613 [0,1,0,1,0,0|2,0,0]=4 4242 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,1,0,1,0,0|2,0,0]=4 4243 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,1,0,1,0,0|1,0,1]=4 4244 B9R1.161 O=C(O)C1CC1C(F)F MCULE-6859776096 [0,1,0,1,0,0|2,0,0]=4 4245 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,1,0,1,0,0|1,0,1]=4 4246 B9R1.161 O=C(O)[C@@H]1C[C@@H]1C(F)F MCULE-4810792751 [0,1,0,1,0,0|2,0,0]=4 4247 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-1011454400 [0,1,0,1,0,0|2,0,0]=4 4248 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-8959639977 [0,1,0,1,0,0|2,0,0]=4 4249 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,1,0,1,0,0|1,0,1]=4 4250 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,1,0,1,0,0|1,0,1]=4 4251 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-4761495090 [0,1,0,1,0,0|2,0,0]=4 4252 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-9106908377 [0,1,0,1,0,0|2,0,0]=4 4253 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F MCULE-9137583199 [0,1,0,1,0,0|2,0,0]=4 4254 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,1,0,1,0,0|1,0,1]=4 4255 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,1,0,1,0,0|2,0,0]=4 4256 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,1,0,1,0,0|2,0,0]=4 4257 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,1,0,1,0,0|2,0,0]=4 4258 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,1,0,1,0,0|2,0,0]=4 4259 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,1,0,1,0,0|2,0,0]=4 4260 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,1,0,1,0,0|2,0,0]=4 4261 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,1,0,1,0,0|2,0,0]=4 4262 B9R1.166 O=C(O)C1CCC1(F)F MCULE-5646109920 [0,1,0,1,0,0|2,0,0]=4 4263 B9R1.166 O=C(O)[C@@H]1CCC1(F)F MCULE-1777760238 [0,1,0,1,0,0|2,0,0]=4 4264 B9R1.166 O=C(O)[C@H]1CCC1(F)F MCULE-9140397233 [0,1,0,1,0,0|2,0,0]=4 4265 B9R1.170 CC1(CC1CC(=O)O)C MCULE-4662857705 [0,1,0,1,0,0|2,0,0]=4 4266 B9R1.170 O=C(O)CC1CC1(Cl)Cl MCULE-1943383074 [0,1,0,1,0,0|2,0,0]=4 4267 B9R1.170 O=C(O)CC1CC1(F)F MCULE-4535964880 [0,1,0,1,0,0|2,0,0]=4 4268 B9R1.170 O=C(O)C[C@H]1CC1(F)F MCULE-7984243726 [0,1,0,1,0,0|2,0,0]=4 4269 B9R2.20 O=C1OCC2C1CC2 MCULE-4454485399 [0,0,0,2,0,0|2,0,0]=4 4270 B9R2.20 O=C1OC[C@@H]2[C@@H]1CC2 MCULE-8016618193 [0,0,0,2,0,0|2,0,0]=4 4271 B9R2.39 C12CNC(C1)C(=O)O2 MCULE-4651135224 [0,0,0,2,0,0|1,0,0]=3 4272 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,2,0,0|2,0,0]=4 4273 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,2,0,0|2,0,0]=4 4274 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [0,0,0,2,0,0|2,0,0]=4 4275 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,2,0,0|2,0,0]=4 4276 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,2,0,0|2,0,0]=4 4277 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-6049411288 [0,0,0,2,0,0|2,0,0]=4 4278 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-7775612507 [0,0,0,2,0,0|2,0,0]=4 4279 B9R2.39 O=C1OC2CNC1C2 MCULE-1081203973 [0,0,0,2,0,0|1,0,0]=3 4280 B9R2.39 O=C1OC2CNC1C2 MCULE-4715019258 [0,0,0,2,0,0|1,0,0]=3 4281 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-1020161730 [0,0,0,2,0,0|1,0,0]=3 4282 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-3837738406 [0,0,0,2,0,0|1,0,0]=3 4283 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-6980885310 [0,0,0,2,0,0|1,0,0]=3 4284 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-4857421267 [0,0,0,2,0,0|1,0,0]=3 4285 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-5314520254 [0,0,0,2,0,0|1,0,0]=3 4286 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-8592680797 [0,0,0,2,0,0|1,0,0]=3 4287 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,0,0,2,0,0|2,0,0]=4 4288 B9R2.109 O=C1CCCC2C1O2 MCULE-6955178123 [0,0,0,2,0,0|2,0,0]=4 4289 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [0,0,0,2,0,0|2,0,0]=4 4290 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [0,0,0,2,0,0|2,0,0]=4 4291 B9R2.7 O=C1CC2C1OCC2 MCULE-9845403948 [0,0,0,2,0,0|2,0,0]=4 4292 B9R2.7 O=C1C[C@H]2[C@@H]1OCC2 MCULE-7616272357 [0,0,0,2,0,0|2,0,0]=4 4293 B9R2.7 [C@@H]12CCO[C@@H]1C(=O)C2 MCULE-8869936364 [0,0,0,2,0,0|2,0,0]=4 4294 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [0,0,0,2,0,0|2,0,0]=4 4295 B9R2.148 O=C(O)C1C2C1NC2 MCULE-5026622210 [0,0,0,2,0,0|1,0,0]=3 4296 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,2,0,0|2,0,0]=4 4297 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,2,0,0|2,0,0]=4