0 B9R1.35 C1C(C=CC1N)C(=O)O S181238 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 C1C(CNC1=O)C(=O)O O177293 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 C1C(CNC1C(=O)N)F I170308 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 C1C(CNC1C(=O)O)F S171572 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 C1C(CNC1C(=O)O)F S183102 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 C1C(CNC1C(=O)O)F T162045 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 C1C(CNC1C(=O)O)O C177424 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.35 C1C(CNC1C(=O)O)O C422902 [0,0,0,0,0,0|0,0,0]=0 8 B9R1.35 C1C(CNC1C(=O)O)O H110730 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.35 C1C(CNC1C(=O)O)O H111005 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.35 C1C(CNC1C(=O)O)O I132870 [0,0,0,0,0,0|0,0,0]=0 11 B9R1.35 C1C(CNC1C(=O)O)O I134121 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.35 C1C(CNC1C(=O)O)O R174124 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.35 C1C(CNC1C(=O)O)O T424412 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.35 C1C(CNC1C(=O)O)O T485298 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 C1CC(=O)CC1C(=O)O S177273 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.35 C1CC(=O)NC1C(=O)O H427210 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 C1CC(=O)NC1C(=O)O P106003 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 C1CC(=O)NC1C(=O)O P106004 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 C1CC(=O)NC1C(=O)O P106190 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.35 C1CC(=O)NC1C(=O)O P106219 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.35 C1CC(CC1C(=O)O)N A187884 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.35 C1CC(CC1C(=O)O)O H586133 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.35 CC(=O)N1CCC(C1)O R160915 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.1 C1C(CNC1CO)O R176579 [1,0,0,0,0,0|0,0,1]=2 28 B8R1.1 C1C(CNC1CO)O S586151 [1,0,0,0,0,0|0,0,1]=2 29 B8R1.7 B(C1CCCC1)(O)O C171252 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 C1C(NCS1)C(=O)O T137734 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.7 C1C(NCS1)C(=O)O T303731 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.7 C1C(NCS1)C(=O)O T424020 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.7 C1C=CC(N1)C(=O)O D137596 [1,0,0,0,0,0|0,0,2]=3 34 B8R1.7 C1C=CC(N1)C(=O)O D169706 [1,0,0,0,0,0|0,0,2]=3 35 B8R1.7 C1C=CCC1C(=O)O C153744 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.7 C1CC(NC1)C(=O)N P105976 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.7 C1CC(NC1)C(=O)N P121653 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.7 C1CC(NC1)C(=O)N S136613 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.7 C1CC(NC1)C(=O)O D423511 [1,0,0,0,0,0|0,0,0]=1 40 B8R1.7 C1CC(NC1)C(=O)O L421729 [1,0,0,0,0,0|0,0,0]=1 41 B8R1.7 C1CC(NC1)C(=O)O P105590 [1,0,0,0,0,0|0,0,0]=1 42 B8R1.7 C1CC(NC1)C(=O)O P108709 [1,0,0,0,0,0|0,0,0]=1 43 B8R1.7 C1CC(NC1)C(=O)O P111001 [1,0,0,0,0,0|0,0,0]=1 44 B8R1.7 C1CC(NC1)C(=O)O P120032 [1,0,0,0,0,0|0,0,0]=1 45 B8R1.7 C1CC(NC1)C(=O)O P140375 [1,0,0,0,0,0|0,0,0]=1 46 B8R1.7 C1CC(NC1)C(=O)O P477766 [1,0,0,0,0,0|0,0,0]=1 47 B8R1.7 C1CC(OC1)C(=O)N S469270 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.7 C1CC(OC1)C(=O)O R160850 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.7 C1CC(OC1)C(=O)O S161338 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.7 C1CC(OC1)C(=O)O T161757 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.7 C1CC=C(C1)C(=O)O C153747 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.7 C1CCC(C1)C(=O)N C357646 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 C1CCC(C1)C(=O)O C104489 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.7 C1CNCC1C(=O)O P176886 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 C1CNCC1C(=O)O P196048 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 C1CNCC1C(=O)O S134732 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 C1CNCC1C(=O)O S137345 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 C1COCC1C(=O)O R194491 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 C1COCC1C(=O)O T135700 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 C1CSC(N1)C(=O)O T162356 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.7 CC(=O)C1CCCC1 C194132 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.7 CC(=O)N1CCCC1 A151303 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 CC(C1CCCC1)O C349965 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.14 COC(=O)C1CC(CN1)F M176855 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.14 COC(=O)C1CC(CN1)F M578760 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.14 COC(=O)C1CC(CN1)O C135503 [0,1,0,0,0,0|0,0,0]=1 68 B10R1.14 COC(=O)C1CC(CN1)O H111052 [0,1,0,0,0,0|0,0,0]=1 69 B10R1.14 COC(=O)C1CC(CN1)O R589232 [0,1,0,0,0,0|0,0,0]=1 70 B10R1.14 COC(=O)C1CCC(C1)N M175133 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.359 C1C(NCC1(F)F)C(=O)N D170309 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.359 C1CC(CC1C(=O)O)(F)F D173106 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.8 C(CC(C(=O)O)N)CN L350090 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.8 C(CC(C(=O)O)N)CN L413185 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.8 C(CC(C(=O)O)N)CN L423300 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.8 C(CC(C(=O)O)N)CN L425600 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.8 C(CC(C(=O)O)N)CN L432617 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.8 C(CC(C(=O)O)N)CN O101048 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.8 C(CC(C(=O)O)N)CN O108803 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.8 C(CC(C(=O)O)N)CN S161189 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.8 C(CC(C(=O)O)N)CN S161190 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.8 C(CC(C(=O)O)N)CN S589622 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.8 CCCCC(C(=O)O)Br B152316 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.8 CCCCC(C(=O)O)N L485252 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.8 CCCCC(C(=O)O)N N105991 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.8 CCCCC(C(=O)O)N N109230 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.8 CCCCC(C(=O)O)N S136235 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.8 CCCCC(C(=O)O)O H300379 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.8 CCCCC(C(=O)O)O H425022 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.8 CCCCC(C)C(=O)O M158388 [0,0,1,0,0,0|2,0,0]=3 91 B8R0.8 CCCCC(C)C(=O)O M424064 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.9 C(C(=O)NCC(=O)O)N D302344 [0,0,1,0,0,0|1,0,2]=4 93 B8R0.9 C(C(=O)NCC(=O)O)N G105429 [0,0,1,0,0,0|1,0,2]=4 94 B8R0.9 C(C(=O)NCC(=O)O)N G119491 [0,0,1,0,0,0|1,0,2]=4 95 B8R0.9 C(C(=O)NCC(=O)O)N G119492 [0,0,1,0,0,0|1,0,2]=4 96 B8R0.9 C(C(=O)NCC(=O)O)N G424736 [0,0,1,0,0,0|1,0,2]=4 97 B8R0.9 C(CC(=O)O)C(=O)CN A107209 [0,0,1,0,0,0|0,0,2]=3 98 B8R0.9 C=CC(CCC(=O)O)N V136673 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.9 CC(=O)OCC(CO)O M158754 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,0,1,0,0,0|1,0,2]=4 101 B8R0.9 CCC(C)CCC(=O)O M138303 [0,0,1,0,0,0|2,0,0]=3 102 B8R0.9 NCC(=O)CCC(O)=O A409271 [0,0,1,0,0,0|0,0,2]=3 103 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [0,0,1,0,0,0|2,0,1]=4 104 B8R0.23 C(C(C(=O)O)Br)C(=O)O B106958 [0,0,1,0,0,0|2,0,1]=4 105 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [0,0,1,0,0,0|1,0,2]=4 106 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [0,0,1,0,0,0|1,0,2]=4 107 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [0,0,1,0,0,0|1,0,2]=4 108 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [0,0,1,0,0,0|1,0,2]=4 109 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [0,0,1,0,0,0|1,0,2]=4 110 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [0,0,1,0,0,0|1,0,2]=4 111 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [0,0,1,0,0,0|1,0,2]=4 112 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [0,0,1,0,0,0|1,0,2]=4 113 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [0,0,1,0,0,0|1,0,2]=4 114 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [0,0,1,0,0,0|1,0,2]=4 115 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [0,0,1,0,0,0|1,0,1]=3 116 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [0,0,1,0,0,0|1,0,1]=3 117 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [0,0,1,0,0,0|1,0,1]=3 118 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [0,0,1,0,0,0|1,0,1]=3 119 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [0,0,1,0,0,0|1,0,1]=3 120 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [0,0,1,0,0,0|1,0,1]=3 121 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [0,0,1,0,0,0|1,0,1]=3 122 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [0,0,1,0,0,0|1,0,1]=3 123 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [0,0,1,0,0,0|1,0,1]=3 124 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [0,0,1,0,0,0|1,0,1]=3 125 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [0,0,1,0,0,0|1,0,1]=3 126 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [0,0,1,0,0,0|1,0,1]=3 127 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [0,0,1,0,0,0|1,0,1]=3 128 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [0,0,1,0,0,0|1,0,1]=3 129 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [0,0,1,0,0,0|1,0,1]=3 130 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [0,0,1,0,0,0|1,0,1]=3 131 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [0,0,1,0,0,0|1,0,2]=4 132 B8R0.23 C(C(C(=O)O)N)S(=O)O L288573 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.23 C(C(C(=O)O)O)C(=O)O D425543 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.23 C(C(C(=O)O)O)C(=O)O D433328 [0,0,1,0,0,0|2,0,1]=4 135 B8R0.23 C(C(C(=O)O)O)C(=O)O L427197 [0,0,1,0,0,0|2,0,1]=4 136 B8R0.23 C(C(C(=O)O)O)C(=O)O M101126 [0,0,1,0,0,0|2,0,1]=4 137 B8R0.23 C(C(C(=O)O)O)C(=O)O M105695 [0,0,1,0,0,0|2,0,1]=4 138 B8R0.23 C(C(C(=O)O)O)C(=O)O M105696 [0,0,1,0,0,0|2,0,1]=4 139 B8R0.23 C(C(C(=O)O)O)C(=O)O M109342 [0,0,1,0,0,0|2,0,1]=4 140 B8R0.23 C(C(C(=O)O)O)C(=O)O M119455 [0,0,1,0,0,0|2,0,1]=4 141 B8R0.23 C(C(C(=O)O)O)C(=O)O P160725 [0,0,1,0,0,0|2,0,1]=4 142 B8R0.23 C(C(C(=O)O)S)C(=O)O M109507 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.23 C(C(C(=O)[O-])N)C(=O)O D465226 [0,0,1,0,0,0|1,0,2]=4 144 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L193085 [0,0,1,0,0,0|1,0,2]=4 145 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L465034 [0,0,1,0,0,0|1,0,2]=4 146 B8R0.23 C(C(C(=O)[O-])N)C(=O)O P160327 [0,0,1,0,0,0|1,0,2]=4 147 B8R0.23 C(C(C(=O)[O-])N)C(=O)O S169558 [0,0,1,0,0,0|1,0,2]=4 148 B8R0.23 CC(C)CC(=O)C(=O)O M104530 [0,0,1,0,0,0|2,0,1]=4 149 B8R0.23 CC(C)CC(=O)C(=O)O M401024 [0,0,1,0,0,0|2,0,1]=4 150 B8R0.23 CC(C)CC(C(=O)N)N H299483 [0,0,1,0,0,0|2,0,0]=3 151 B8R0.23 CC(C)CC(C(=O)N)N S161269 [0,0,1,0,0,0|2,0,0]=3 152 B8R0.23 CC(C)CC(C(=O)N)N S165636 [0,0,1,0,0,0|2,0,0]=3 153 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [0,0,1,0,0,0|2,0,0]=3 154 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [0,0,1,0,0,0|2,0,0]=3 155 B8R0.23 CC(C)CC(C(=O)O)N L100046 [0,0,1,0,0,0|1,0,0]=2 156 B8R0.23 CC(C)CC(C(=O)O)N L104898 [0,0,1,0,0,0|1,0,0]=2 157 B8R0.23 CC(C)CC(C(=O)O)N L110997 [0,0,1,0,0,0|1,0,0]=2 158 B8R0.23 CC(C)CC(C(=O)O)N L117742 [0,0,1,0,0,0|1,0,0]=2 159 B8R0.23 CC(C)CC(C(=O)O)N L425126 [0,0,1,0,0,0|1,0,0]=2 160 B8R0.23 CC(C)CC(C(=O)O)N L433130 [0,0,1,0,0,0|1,0,0]=2 161 B8R0.23 CC(C)CC(C(=O)O)O L421425 [0,0,1,0,0,0|2,0,0]=3 162 B8R0.23 CC(C)CC(C(=O)O)O R182597 [0,0,1,0,0,0|2,0,0]=3 163 B8R0.23 CC(C)CC(C(=O)O)O S161033 [0,0,1,0,0,0|2,0,0]=3 164 B8R0.23 CC(C)CC(C(=O)O)O S161215 [0,0,1,0,0,0|2,0,0]=3 165 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [0,0,1,0,0,0|1,0,2]=4 166 B8R0.23 CC(CC(=O)O)C(=O)O M101729 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [0,0,1,0,0,0|1,0,1]=3 168 B8R0.28 C(C(=O)O)NCC(=O)O I104451 [0,0,1,0,0,0|1,0,1]=3 169 B8R0.28 C(C(=O)O)OCC(=O)O D155445 [0,0,1,0,0,0|2,0,1]=4 170 B8R0.28 C(C(=O)O)SCC(=O)O T106634 [0,0,1,0,0,0|2,0,1]=4 171 B8R0.28 C(CC(=O)O)CC(=O)O G103515 [0,0,1,0,0,0|2,0,1]=4 172 B8R0.28 C(CC(=O)O)CC(=O)O G103516 [0,0,1,0,0,0|2,0,1]=4 173 B8R0.28 C(CC(=O)O)CC(=O)O G420610 [0,0,1,0,0,0|2,0,1]=4 174 B8R0.28 CC(=O)CCCC(=O)O O159987 [0,0,1,0,0,0|1,0,2]=4 175 B8R0.28 CC(C)CCCC(=O)C M158865 [0,0,1,0,0,0|3,0,0]=4 176 B8R0.28 CC(C)CCCC(=O)O M158389 [0,0,1,0,0,0|2,0,0]=3 177 B8R0.28 CC(CNCC(C)O)O D106370 [0,0,1,0,0,0|1,0,1]=3 178 B8R0.28 CN(C)CCCC(=O)O D589906 [0,0,1,0,0,0|3,0,0]=4 179 B8R0.28 CN(C)CCCC(=O)O W133561 [0,0,1,0,0,0|3,0,0]=4 180 B8R1.23 C1C(CC1=O)C(=O)O O129102 [0,0,0,0,1,0|0,0,2]=3 181 B8R1.23 C=C1CC(C1)C(=O)O M174562 [0,0,0,0,1,0|1,0,1]=3 182 B8R1.23 CN1CC(C1)C(=O)O M177850 [0,0,0,0,1,0|2,0,0]=3 183 B10R1.13 C1CC(=O)CCC1C(=O)O O177831 [0,0,0,0,0,1|1,0,2]=4 184 B10R1.13 C1CC(CCC1C(=O)O)N A124585 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.13 C1CC(CCC1C(=O)O)N C153750 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.13 C1CC(CCC1C(=O)O)N I135100 [0,0,0,0,0,1|2,0,0]=3 187 B10R1.13 C1CC(CCC1C(=O)O)O C154122 [0,0,0,0,0,1|1,0,0]=2 188 B10R1.13 C1CC(CCC1C(=O)O)O H132286 [0,0,0,0,0,1|1,0,0]=2 189 B10R1.13 C1CC(CCC1C(=O)O)O T161443 [0,0,0,0,0,1|1,0,0]=2 190 B10R1.13 C1CC(NCC1O)C(=O)O S176988 [0,0,0,0,0,1|0,0,0]=1 191 B10R1.13 CC(=O)N1CCC(CC1)O E176408 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.13 CC1CCC(CC1)C(=O)O M158294 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.13 CC1CCC(CC1)C(=O)O T472827 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.54 C1C(CNC1CC(=O)O)O L344985 [0,0,0,0,0,1|0,0,0]=1 195 B10R1.54 CC(=O)OC1CC(C=C1)O R176918 [0,0,0,0,0,1|2,0,1]=4 196 B10R1.113 C1CC(CC(=O)C1)C(=O)O O191300 [0,0,0,0,0,1|1,0,2]=4 197 B10R1.113 C1CC(CC(C1)N)C(=O)O A133090 [0,0,0,0,0,1|2,0,0]=3 198 B10R1.113 C1CC(CC(C1)N)C(=O)O C153901 [0,0,0,0,0,1|2,0,0]=3 199 B10R1.113 C1CC(CC(C1)O)C(=O)O H157380 [0,0,0,0,0,1|1,0,0]=2 200 B10R1.113 CC1CCCC(C1)C(=O)O M299842 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.113 CC1CCCC(C1)C(=O)O M472837 [0,0,0,0,0,1|2,0,0]=3 202 B10R1.113 CC1CCNC(C1)C(=O)O R194886 [0,0,0,0,0,1|1,0,0]=2 203 B7R0.3 C(CC(CO)O)CO P160114 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.4 C#CCCCC(=O)O H111132 [1,0,1,0,0,0|1,0,1]=4 205 B7R0.4 C(CC#N)CC(=O)O C184246 [1,0,1,0,0,0|0,0,2]=4 206 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,1,0,0,0|2,0,0]=4 207 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,1,0,0,0|1,0,0]=3 208 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,1,0,0,0|1,0,0]=3 210 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,1,0,0,0|0,0,0]=2 211 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,1,0,0,0|0,0,0]=2 212 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,1,0,0,0|0,0,0]=2 213 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,1,0,0,0|0,0,0]=2 214 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,1,0,0,0|0,0,0]=2 215 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.4 C(CNCC(=O)O)N A124646 [1,0,1,0,0,0|1,0,0]=3 217 B7R0.4 C=CCCCC(=O)O H157078 [1,0,1,0,0,0|1,0,1]=4 218 B7R0.4 CC(=O)CCCCCl C108058 [1,0,1,0,0,0|2,0,0]=4 219 B7R0.4 CC(CCCCO)O H474422 [1,0,1,0,0,0|1,0,1]=4 220 B7R0.4 CC(CNCCN)O N159095 [1,0,1,0,0,0|1,0,1]=4 221 B7R0.4 CCC=CCC(=O)O H101494 [1,0,1,0,0,0|1,0,1]=4 222 B7R0.4 CCCC=CC(=O)O H107513 [1,0,1,0,0,0|1,0,1]=4 223 B7R0.4 CCCC=CC(=O)O H400070 [1,0,1,0,0,0|1,0,1]=4 224 B7R0.4 CCCCCC(=O)C H103803 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.4 CCCCCC(=O)C H103827 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.4 CCCCCC(=O)N H157108 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.4 CCCCCC(=O)O H103630 [1,0,1,0,0,0|1,0,0]=3 230 B7R0.4 CCCCCC(=O)O H103631 [1,0,1,0,0,0|1,0,0]=3 231 B7R0.4 CCCCCC(=O)O H103632 [1,0,1,0,0,0|1,0,0]=3 232 B7R0.4 CCCCCC(=O)O H278778 [1,0,1,0,0,0|1,0,0]=3 233 B7R0.4 CCCCCC(=O)O H432079 [1,0,1,0,0,0|1,0,0]=3 234 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.4 CCOCCC(=O)O E156172 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.4 CNCCCC(=O)O M276212 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.4 CNCCCC(=O)O M397624 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.4 COCCCC(=O)O M192558 [1,0,1,0,0,0|2,0,0]=4 239 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,1,0,0,0|2,0,0]=4 240 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,1,0,0,0|2,0,0]=4 241 B7R0.5 C#CCC(C(=O)O)N D133969 [1,0,1,0,0,0|0,0,2]=4 242 B7R0.5 C#CCC(C(=O)O)N R192202 [1,0,1,0,0,0|0,0,2]=4 243 B7R0.5 C#CCC(C(=O)O)N R304808 [1,0,1,0,0,0|0,0,2]=4 244 B7R0.5 C#CCC(C(=O)O)N S168837 [1,0,1,0,0,0|0,0,2]=4 245 B7R0.5 C(CBr)C(C(=O)O)N A101191 [1,0,1,0,0,0|1,0,0]=3 246 B7R0.5 C(CN)C(C(=O)O)N D102446 [1,0,1,0,0,0|1,0,0]=3 247 B7R0.5 C(CN)C(C(=O)O)N D113499 [1,0,1,0,0,0|1,0,0]=3 248 B7R0.5 C(CN)C(C(=O)O)N D117019 [1,0,1,0,0,0|1,0,0]=3 249 B7R0.5 C(CN)C(C(=O)O)O H181248 [1,0,1,0,0,0|2,0,0]=4 250 B7R0.5 C(CN)C(C(=O)O)O S161042 [1,0,1,0,0,0|2,0,0]=4 251 B7R0.5 C(CO)C(C(=O)O)N H100541 [1,0,1,0,0,0|0,0,0]=2 252 B7R0.5 C(CO)C(C(=O)O)N H101557 [1,0,1,0,0,0|0,0,0]=2 253 B7R0.5 C(CO)C(C(=O)O)N H105430 [1,0,1,0,0,0|0,0,0]=2 254 B7R0.5 C(CO)C(C(=O)O)N L425384 [1,0,1,0,0,0|0,0,0]=2 255 B7R0.5 C(CS)C(C(=O)O)N H106297 [1,0,1,0,0,0|0,1,0]=3 256 B7R0.5 C(CS)C(C(=O)O)N L134501 [1,0,1,0,0,0|0,1,0]=3 257 B7R0.5 C=CCC(C(=O)O)N A115225 [1,0,1,0,0,0|0,0,2]=4 258 B7R0.5 C=CCC(C(=O)O)N D101189 [1,0,1,0,0,0|0,0,2]=4 259 B7R0.5 C=CCC(C(=O)O)N D107871 [1,0,1,0,0,0|0,0,2]=4 260 B7R0.5 C=CCC(C(=O)O)N S101123 [1,0,1,0,0,0|0,0,2]=4 261 B7R0.5 C=CCC(C(=O)O)N S161223 [1,0,1,0,0,0|0,0,2]=4 262 B7R0.5 CC(=O)N(C)CCO N167555 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.5 CC(C(=O)O)NC=O N159048 [1,0,1,0,0,0|0,0,2]=4 264 B7R0.5 CC(CC=C)C(=O)O M111848 [1,0,1,0,0,0|1,0,1]=4 265 B7R0.5 CCC=C(C)C(=O)O M102542 [1,0,1,0,0,0|1,0,1]=4 266 B7R0.5 CCC=C(C)C(=O)O M107371 [1,0,1,0,0,0|1,0,1]=4 267 B7R0.5 CCCC(=O)C(=O)O O159954 [1,0,1,0,0,0|1,0,1]=4 268 B7R0.5 CCCC(C(=O)O)Br B152768 [1,0,1,0,0,0|1,0,0]=3 269 B7R0.5 CCCC(C(=O)O)N N100542 [1,0,1,0,0,0|0,0,0]=2 270 B7R0.5 CCCC(C(=O)O)N N106191 [1,0,1,0,0,0|0,0,0]=2 271 B7R0.5 CCCC(C(=O)O)N N106215 [1,0,1,0,0,0|0,0,0]=2 272 B7R0.5 CCCC(C(=O)O)O S193305 [1,0,1,0,0,0|1,0,0]=3 273 B7R0.5 CCCC(C(=O)[O-])O B301319 [1,0,1,0,0,0|1,0,1]=4 274 B7R0.5 CCCC(C)C(=O)C M158798 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.5 CCCC(C)C(=O)O B300596 [1,0,1,0,0,0|1,0,0]=3 276 B7R0.5 CCCC(C)C(=O)O M117868 [1,0,1,0,0,0|1,0,0]=3 277 B7R0.5 CCCC(C)C(=O)O M427193 [1,0,1,0,0,0|1,0,0]=3 278 B7R0.5 CCSC(C)C(=O)O E168418 [1,0,1,0,0,0|1,0,0]=3 279 B7R0.5 CNCC(C(=O)O)N S132658 [1,0,1,0,0,0|1,0,0]=3 280 B7R0.5 COCC(C(=O)O)Cl C133763 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.5 COCC(C(=O)O)N S135785 [1,0,1,0,0,0|1,0,0]=3 282 B7R0.5 CSCC(C(=O)O)N M116973 [1,0,1,0,0,0|1,0,0]=3 283 B7R0.5 C[Se]CC(C(=O)O)N S161277 [1,0,1,0,0,0|1,0,0]=3 284 B7R0.6 C(CC(=O)O)C(=O)O P111885 [1,0,1,0,0,0|1,0,1]=4 285 B7R0.6 C(CC(=O)O)C(=O)O S108852 [1,0,1,0,0,0|1,0,1]=4 286 B7R0.6 C(CC(=O)O)C(=O)O S108853 [1,0,1,0,0,0|1,0,1]=4 287 B7R0.6 C(CC(=O)O)C(=O)O S108854 [1,0,1,0,0,0|1,0,1]=4 288 B7R0.6 C(CC(=O)O)C(=O)O S108855 [1,0,1,0,0,0|1,0,1]=4 289 B7R0.6 C(CC(=O)O)C(=O)O S108856 [1,0,1,0,0,0|1,0,1]=4 290 B7R0.6 C(CC(=O)O)C(=O)O S303059 [1,0,1,0,0,0|1,0,1]=4 291 B7R0.6 C(CC(=O)O)C(=O)O S346179 [1,0,1,0,0,0|1,0,1]=4 292 B7R0.6 C(CC(=O)O)C(=O)O S420589 [1,0,1,0,0,0|1,0,1]=4 293 B7R0.6 C(CC(=O)O)C(=O)O S431423 [1,0,1,0,0,0|1,0,1]=4 294 B7R0.6 C(CC(=O)O)C(=O)O S431424 [1,0,1,0,0,0|1,0,1]=4 295 B7R0.6 C(CC(=O)O)C(=O)O S472090 [1,0,1,0,0,0|1,0,1]=4 296 B7R0.6 CC(=O)CCC(=O)O L104281 [1,0,1,0,0,0|0,0,2]=4 297 B7R0.6 CC(=O)CCC(=O)O L278641 [1,0,1,0,0,0|0,0,2]=4 298 B7R0.6 CC(=O)CCC(=O)O L298748 [1,0,1,0,0,0|0,0,2]=4 299 B7R0.6 CC(=O)CCC(=O)O L421026 [1,0,1,0,0,0|0,0,2]=4 300 B7R0.6 CC(C)CCC(=O)C M106666 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.6 CC(C)CCC(=O)O M117869 [1,0,1,0,0,0|1,0,0]=3 303 B7R0.6 CC(CCC(C)O)O H157400 [1,0,1,0,0,0|1,0,1]=4 304 B7R0.6 CC(CCC(C)O)O R160953 [1,0,1,0,0,0|1,0,1]=4 305 B7R0.6 CC(CCC(C)O)O S133391 [1,0,1,0,0,0|1,0,1]=4 306 B7R0.6 CN(C)CCC(=O)O D132248 [1,0,1,0,0,0|2,0,0]=4 307 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,0,1,0,0,0|2,0,0]=4 308 B7R0.15 C(C(CO)C(=O)O)N I166551 [1,0,1,0,0,0|2,0,0]=4 309 B7R0.15 CCC(CC)C(=O)Cl E469016 [1,0,1,0,0,0|2,0,0]=4 310 B7R0.15 CCC(CC)C(=O)O E105668 [1,0,1,0,0,0|1,0,0]=3 311 B7R0.15 CCC(CC)C(=O)O E105669 [1,0,1,0,0,0|1,0,0]=3 312 B7R0.2 CC(C)CC(CO)N L117136 [1,0,1,0,0,0|1,0,1]=4 313 B7R0.2 CC(C)CC(CO)N S133878 [1,0,1,0,0,0|1,0,1]=4 314 B7R1.1 C1CC(NC1)CN A121648 [2,0,0,0,0,0|1,0,1]=4 315 B7R1.1 C1CC(NC1)CO P106015 [2,0,0,0,0,0|0,0,1]=3 316 B7R1.1 C1CC(NC1)CO P117145 [2,0,0,0,0,0|0,0,1]=3 317 B7R1.1 C1CC(NC1)CO P133858 [2,0,0,0,0,0|0,0,1]=3 318 B7R1.1 C1CC(OC1)C=O T479472 [2,0,0,0,0,0|1,0,0]=3 319 B7R1.1 C1CC(OC1)CO T105718 [2,0,0,0,0,0|1,0,1]=4 320 B7R1.1 C1CC(OC1)CO T105720 [2,0,0,0,0,0|1,0,1]=4 321 B7R1.1 C1CC=C(C1)C=O C304145 [2,0,0,0,0,0|1,0,1]=4 322 B7R1.1 C1CCC(C1)C=O C122650 [2,0,0,0,0,0|1,0,0]=3 323 B7R1.1 C1CCC(C1)CO C121238 [2,0,0,0,0,0|1,0,1]=4 324 B7R1.1 C1CCN(C1)C=O F469140 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.1 C1COCC1C=O T304657 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.2 C1C(C=CC1O)O I169369 [2,0,0,0,0,0|1,0,1]=4 327 B7R1.2 C1C(CNC1=O)N A587603 [2,0,0,0,0,0|1,0,1]=4 328 B7R1.2 C1C(CNC1=O)O H119311 [2,0,0,0,0,0|0,0,1]=3 329 B7R1.2 C1C(CNC1=O)O H119312 [2,0,0,0,0,0|0,0,1]=3 330 B7R1.2 C1C(CNC1=O)O H183207 [2,0,0,0,0,0|0,0,1]=3 331 B7R1.2 C1C(COC1=O)O H107941 [2,0,0,0,0,0|1,0,1]=4 332 B7R1.2 C1CC(CC1N)O R173195 [2,0,0,0,0,0|2,0,0]=4 333 B7R1.2 C1CC(CC1N)O S587381 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.2 C1CC(CC1N)O T172883 [2,0,0,0,0,0|2,0,0]=4 335 B7R1.2 C1CC(CC1O)O C153245 [2,0,0,0,0,0|1,0,0]=3 336 B7R1.2 CC1CCC(C1)O M351118 [2,0,0,0,0,0|1,0,1]=4 337 B9R0.7 CC(CCC(=O)O)C(=O)O M136432 [0,1,1,0,0,0|1,0,1]=4 338 B9R0.13 CCCCC(CC)C(=O)O E103541 [0,1,1,0,0,0|2,0,0]=4 339 B9R0.13 CCCCC(CC)C(=O)O E103542 [0,1,1,0,0,0|2,0,0]=4 340 B9R0.13 CCCCC(CC)C(=O)O E103543 [0,1,1,0,0,0|2,0,0]=4 341 B9R0.13 CCCCC(CC)C(=O)O M282652 [0,1,1,0,0,0|2,0,0]=4 342 B9R0.42 CC(C(=O)O)NC(=O)CCl N159049 [0,1,1,0,0,0|1,0,1]=4 343 B9R0.42 CC(C(=O)O)NC(=O)CN G355788 [0,1,1,0,0,0|1,0,1]=4 344 B9R0.42 CC(C(=O)O)NC(=O)CN G355807 [0,1,1,0,0,0|1,0,1]=4 345 B9R0.42 CC(C(=O)O)NC(=O)CN G465688 [0,1,1,0,0,0|1,0,1]=4 346 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,1,1,0,0,0|2,0,0]=4 347 B9R0.51 CCCCC(C)(C)C(=O)O D154699 [0,1,1,0,0,0|2,0,0]=4 348 B9R0.23 CCC(C)C(CC(=O)O)N H117051 [0,1,1,0,0,0|2,0,0]=4 349 B9R0.24 COC(=O)CCC(=O)CN M158394 [0,1,1,0,0,0|0,0,2]=4 350 B9R0.24 COC(=O)CCC(=O)CN M426001 [0,1,1,0,0,0|0,0,2]=4 351 B9R0.15 CCCC(CCC)C(=O)O D412711 [0,1,1,0,0,0|2,0,0]=4 352 B9R0.15 CCCC(CCC)C(=O)O V298968 [0,1,1,0,0,0|2,0,0]=4 353 B9R0.15 CCCC(CCC)C(=O)O V427227 [0,1,1,0,0,0|2,0,0]=4 354 B9R0.15 CCCC(CCC)C(O)=O D408831 [0,1,1,0,0,0|2,0,0]=4 355 B9R0.29 CCC(C)C(C(=O)O)NC I133843 [0,1,1,0,0,0|1,0,0]=3 356 B9R0.39 CC(C)CC(C(=O)O)NC B300148 [0,1,1,0,0,0|1,0,0]=3 357 B9R0.39 CC(C)CC(C(=O)O)NC D303245 [0,1,1,0,0,0|1,0,0]=3 358 B9R0.39 CC(C)CC(C(=O)O)NC N137172 [0,1,1,0,0,0|1,0,0]=3 359 B9R0.39 CC(C)CC(C(=O)O)NC N185919 [0,1,1,0,0,0|1,0,0]=3 360 B9R0.39 CNC(CC(=O)O)C(=O)O N129532 [0,1,1,0,0,0|0,0,1]=3 361 B9R0.39 CNC(CC(=O)O)C(=O)O N131805 [0,1,1,0,0,0|0,0,1]=3 362 B9R0.39 CNC(CC(=O)O)C(=O)O N276566 [0,1,1,0,0,0|0,0,1]=3 363 B9R0.39 CNC(CC(=O)O)C(=O)O N338153 [0,1,1,0,0,0|0,0,1]=3 364 B9R0.39 CNC(CC(O)=O)C(O)=O N407747 [0,1,1,0,0,0|0,0,1]=3 365 B9R0.11 CC(C)CC(C)(C(=O)O)N H352866 [0,1,1,0,0,0|1,0,0]=3 366 B9R0.57 C(C(C(=O)O)N)C(F)(F)F A151473 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.57 C(C(C(=O)O)N)P(=O)(O)O D286664 [0,1,1,0,0,0|2,0,0]=4 368 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O S161224 [0,1,1,0,0,0|2,0,0]=4 369 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O S168870 [0,1,1,0,0,0|2,0,0]=4 370 B9R0.57 CC(C)(C)CC(C(=O)O)N H187615 [0,1,1,0,0,0|1,0,0]=3 371 B9R0.57 CC(C)(C)CC(C(=O)O)N S136939 [0,1,1,0,0,0|1,0,0]=3 372 B9R0.79 C(C(C(=O)O)O)(C(=O)O)N H157320 [0,1,1,0,0,0|1,0,1]=4 373 B9R0.79 CC(C(C(=O)O)N)C(=O)O D137663 [0,1,1,0,0,0|1,0,1]=4 374 B9R0.79 CC(C(C)O)C(C(=O)O)N H102974 [0,1,1,0,0,0|0,0,0]=2 375 B9R0.79 CC(C(C)O)C(C(=O)O)N H134438 [0,1,1,0,0,0|0,0,0]=2 376 B9R0.79 CC(C)C(C(C(=O)O)N)O A114504 [0,1,1,0,0,0|1,0,0]=3 377 B9R0.53 CC(C)CC(CC(=O)O)N D404546 [0,1,1,0,0,0|2,0,0]=4 378 B9R0.53 CC(C)CC(CC(=O)O)N H117054 [0,1,1,0,0,0|2,0,0]=4 379 B9R0.53 CN(CC(=O)O)CC(=O)O M129189 [0,1,1,0,0,0|1,0,1]=4 380 B9R0.56 C(C(=O)O)NCP(=O)(O)O G340900 [0,1,1,0,0,0|2,0,0]=4 381 B9R0.56 C(C(=O)O)NCP(=O)(O)O P109919 [0,1,1,0,0,0|2,0,0]=4 382 B9R0.56 C(C(=O)O)NCP(=O)(O)O P109922 [0,1,1,0,0,0|2,0,0]=4 383 B9R0.56 C(C(=O)O)NCP(=O)(O)O P123117 [0,1,1,0,0,0|2,0,0]=4 384 B9R1.132 C1C(C(C(N1)CO)O)O D333792 [1,1,0,0,0,0|0,0,1]=3 385 B9R1.132 C1C(C(C(O1)CO)O)O A151783 [1,1,0,0,0,0|1,0,1]=4 386 B9R1.11 COC(=O)C1=CCCC1 M135404 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.11 COC(=O)C1CCCC1 M158004 [1,1,0,0,0,0|1,0,0]=3 388 B9R1.11 COC(=O)C1CCCN1 P107637 [1,1,0,0,0,0|0,0,0]=2 389 B9R1.11 COC(=O)C1CCCN1 P109007 [1,1,0,0,0,0|0,0,0]=2 390 B9R1.11 COC(=O)C1CCCO1 M158460 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.11 COC(=O)C1CCNC1 M172004 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.11 COC(=O)C1CCNC1 M177835 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.11 COC(=O)C1CCOC1 M176720 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.11 COC(=O)C1NCCS1 M169641 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.19 CC(C)(C1CCCN1)O S178234 [1,1,0,0,0,0|1,0,1]=4 396 B9R1.41 C1CNC(C1O)C(=O)O S176477 [1,1,0,0,0,0|0,0,0]=2 397 B9R1.41 CC(=O)C1CCCC1=O A100983 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.41 CC(=O)C1CCCC1=O A489643 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.41 CN1CCCC1C(=O)O M101560 [1,1,0,0,0,0|0,0,0]=2 400 B9R1.41 CN1CCCC1C(=O)O N170507 [1,1,0,0,0,0|0,0,0]=2 401 B9R1.163 C1CCC(C1)(C(=O)N)N A182057 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.163 C1CCC(C1)(C(=O)O)N A151472 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.163 C1CCC(C1)(C(=O)O)O H181982 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.163 CC1(CCCN1)C(=O)O A151336 [1,1,0,0,0,0|0,0,0]=2 405 B9R1.163 CC1(CCCN1)C(=O)O M535955 [1,1,0,0,0,0|0,0,0]=2 406 B9R1.163 CC1(CCCN1)C(=O)O R589748 [1,1,0,0,0,0|0,0,0]=2 407 B9R1.163 CC1(CCCN1)C(=O)O S174369 [1,1,0,0,0,0|0,0,0]=2 408 B9R1.82 COC(=O)C1CC(=O)C1 M589916 [0,1,0,0,1,0|0,0,2]=4 409 B9R1.82 COC(=O)C1CC(C1)O M176607 [0,1,0,0,1,0|0,0,0]=2 410 B9R1.82 COC(=O)C1CC(C1)O M176998 [0,1,0,0,1,0|0,0,0]=2 411 B9R1.82 COC(=O)C1CC(C1)O M176999 [0,1,0,0,1,0|0,0,0]=2 412 B9R1.164 C1C(CC1(F)F)C(=O)O D586318 [0,1,0,0,1,0|1,0,0]=3 413 B11R1.3 C1CC(CCC1C#N)C(=O)O T587370 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.3 C1CC(CCC1CN)C(=O)O A111900 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.3 C1CC(CCC1CO)C(=O)O C153385 [0,1,0,0,0,1|1,0,0]=3 416 B11R1.3 C1CC(CCC1CO)C(=O)O H157334 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.3 CCC1CCC(CC1)C(=O)O E134615 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.3 CCC1CCC(CC1)C(=O)O T162130 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.22 COC(=O)C1CCC(CC1)N A165372 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.22 COC(=O)C1CCC(CC1)N M139083 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.22 COC(=O)C1CCC(CC1)O M157903 [0,1,0,0,0,1|1,0,0]=3 422 B11R1.727 C1CC(CCC1C(=O)O)(F)F W132460 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.23 COC(=O)C1CCCC(C1)O M406445 [0,1,0,0,0,1|1,0,0]=3 424 B11R1.44 COC(=O)C1CCC(C1)CO R176854 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.175 C1C(NC(S1)C(=O)O)C(=O)O T162357 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.6 C1CC(CNC1)C(=O)O P113283 [0,0,1,1,0,0|2,0,0]=4 427 B9R1.6 C1CC(CNC1)C(=O)O P119071 [0,0,1,1,0,0|2,0,0]=4 428 B9R1.6 C1CC(CNC1)C(=O)O P119075 [0,0,1,1,0,0|2,0,0]=4 429 B9R1.6 C1CC(CNC1)C(=O)O R195578 [0,0,1,1,0,0|2,0,0]=4 430 B9R1.6 C1CCC(CC1)C(=O)O C110756 [0,0,1,1,0,0|2,0,0]=4 431 B9R1.6 C1CCNC(C1)C(=O)N P160119 [0,0,1,1,0,0|2,0,0]=4 432 B9R1.6 C1CCNC(C1)C(=O)O D331240 [0,0,1,1,0,0|1,0,0]=3 433 B9R1.6 C1CCNC(C1)C(=O)O D358401 [0,0,1,1,0,0|1,0,0]=3 434 B9R1.6 C1CCNC(C1)C(=O)O D424577 [0,0,1,1,0,0|1,0,0]=3 435 B9R1.6 C1CCNC(C1)C(=O)O H100528 [0,0,1,1,0,0|1,0,0]=3 436 B9R1.6 C1CCNC(C1)C(=O)O P101393 [0,0,1,1,0,0|1,0,0]=3 437 B9R1.6 C1CCNC(C1)C(=O)O P106214 [0,0,1,1,0,0|1,0,0]=3 438 B9R1.6 C1CCNC(C1)C(=O)O S136371 [0,0,1,1,0,0|1,0,0]=3 439 B9R1.6 C1CCNC(C1)C(=O)O S192036 [0,0,1,1,0,0|1,0,0]=3 440 B9R1.6 C1CNC(CN1)C(=O)O P119067 [0,0,1,1,0,0|1,0,0]=3 441 B9R1.6 C1CNC(CN1)C(=O)O P119070 [0,0,1,1,0,0|1,0,0]=3 442 B9R1.6 C1CNC(CN1)C(=O)O P124229 [0,0,1,1,0,0|1,0,0]=3 443 B9R1.6 C1CNC(CN1)C(=O)O P124230 [0,0,1,1,0,0|1,0,0]=3 444 B9R1.6 C1COC(CO1)C(=O)O D187857 [0,0,1,1,0,0|1,0,0]=3 445 B9R1.6 C1COC(CO1)C(=O)O S587772 [0,0,1,1,0,0|1,0,0]=3 446 B9R1.6 C1COCC(N1)C(=O)O M194498 [0,0,1,1,0,0|0,0,0]=2 447 B9R2.39 C1C2CC(C1C=C2)O N101933 [1,0,0,1,0,0|2,0,0]=4 448 B9R2.39 C1CC2CC1CC2=O N158897 [1,0,0,1,0,0|2,0,0]=4 449 B11R2.1839 C1CC2(CCC1C2)C(=O)O B587838 [0,0,0,1,0,1|2,0,0]=4 450 B11R2.845 C1CC2CC1CC2C(=O)O B590261 [0,0,0,1,0,1|2,0,0]=4 451 B7R0.16 C(C(=O)O)(C(=O)O)N A179126 [0,0,1,0,1,0|1,0,1]=4 452 B7R0.16 CC(C(C(=O)N)N)O S303459 [0,0,1,0,1,0|1,0,0]=3 453 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,0,1,0,1,0|0,0,0]=2 454 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,0,1,0,1,0|0,0,0]=2 455 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,0,1,0,1,0|0,0,0]=2 456 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,0,1,0,1,0|0,0,0]=2 457 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,0,1,0,1,0|0,0,0]=2 458 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,0,1,0,1,0|0,0,0]=2 459 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,0,1,0,1,0|0,0,0]=2 460 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,0,1,0,1,0|0,0,0]=2 461 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,0,1,0,1,0|0,0,0]=2 462 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,0,1,0,1,0|2,0,0]=4 463 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,0,1,0,1,0|2,0,0]=4 464 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,0,1,0,1,0|2,0,0]=4 465 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,0,1,0,1,0|2,0,0]=4 466 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,0,1,0,1,0|1,0,0]=3 467 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,0,1,0,1,0|1,0,0]=3 468 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,0,1,0,1,0|1,0,0]=3 469 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,0,1,0,1,0|1,0,0]=3 470 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,0,1,0,1,0|1,0,0]=3 471 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,0,1,0,1,0|1,0,0]=3 472 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,0,1,0,1,0|2,0,0]=4 473 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,0,1,0,1,0|2,0,0]=4 474 B7R1.18 C1C(CN1)C(=O)O A103105 [1,0,0,0,1,0|1,0,0]=3 475 B7R1.18 C1C(CO1)C(=O)O O166062 [1,0,0,0,1,0|1,0,0]=3 476 B7R1.18 C1CC(C1)C(=O)Cl C170618 [1,0,0,0,1,0|1,0,0]=3 477 B7R1.18 C1CC(C1)C(=O)O C120879 [1,0,0,0,1,0|0,0,0]=2 478 B7R1.18 C1CNC1C(=O)O A124088 [1,0,0,0,1,0|0,0,0]=2 479 B7R1.18 C1CNC1C(=O)O A175896 [1,0,0,0,1,0|0,0,0]=2 480 B7R1.18 C1CNC1C(=O)O R177416 [1,0,0,0,1,0|0,0,0]=2 481 B7R1.18 CC(=O)C1CCC1 A151658 [1,0,0,0,1,0|1,0,0]=3 482 B7R1.12 C1C(C1F)C(=O)O F191156 [0,0,0,0,2,0|1,0,0]=3 483 B7R1.12 C1C(C1F)C(=O)O R586886 [0,0,0,0,2,0|1,0,0]=3 484 B7R1.12 C1C(C1F)C(=O)O R587591 [0,0,0,0,2,0|1,0,0]=3 485 B7R1.12 C1C(C1F)C(=O)O S587590 [0,0,0,0,2,0|1,0,0]=3 486 B7R1.12 CC1CC1C(=O)O M169350 [0,0,0,0,2,0|1,0,0]=3 487 B9R0.55 CC(C)CCCCC(=O)O M304994 [0,0,1,0,0,1|2,0,0]=4 488 B9R1.13 C1CC(C=C1)CC(=O)O C167097 [1,0,0,0,0,1|1,0,1]=4 489 B9R1.13 C1CC(NC1)CC(=O)O L465252 [1,0,0,0,0,1|0,0,0]=2 490 B9R1.13 C1CC(OC1)CC(=O)O T354856 [1,0,0,0,0,1|1,0,0]=3 491 B9R1.13 C1CCC(C1)CC(=O)O C113786 [1,0,0,0,0,1|1,0,0]=3 492 B9R1.13 C1CCC(C1)OC(=O)Cl C184850 [1,0,0,0,0,1|2,0,0]=4 493 B9R1.13 C1CCC(C1)OC(=O)Cl C299675 [1,0,0,0,0,1|2,0,0]=4 494 B9R1.13 C1CCN(C1)CC(=O)O P345179 [1,0,0,0,0,1|2,0,0]=4 495 B11R1.20 C1CC(CCC1CC(=O)O)O H404576 [0,0,0,0,0,2|1,0,0]=3 496 B11R1.20 CC(=O)NC1CCC(CC1)O A151058 [0,0,0,0,0,2|2,0,0]=4