0 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.6 CC(C)CCC(C)N MC446673 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.6 CN(C)CCN(C)C MC425151 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 CN(C)CCN(C)C MC444920 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.4 C#CCCC(=O)Cl MC106035 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 C#CCCC(=O)O MC428029 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.4 C#CCCC(N)=O MC106194 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.4 CC(C)CCC=O MC428026 [1,0,0,0,0,0|0,0,0]=1 20 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|0,0,1]=2 21 B6R0.4 CC(C)NCCN MC20461 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 CN(C)CCCBr CS22184 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CN(C)CCCCl CS13505 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CN(C)CCCCl CS14943 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CN(C)\C=C\C=O MC42238 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 CNCCN(C)C CS11723 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CNCCN(C)C CS15131 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 N#CCCC(=O)O CS22262 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.9 CC(C)NCC(O)CO MC437813 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.9 CC(C)NCC(O)CO MC437814 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.9 CC(C)NCC(O)CO MC445487 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,0|0,0,0]=1 49 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,0,0|0,0,0]=1 50 B8R0.23 CC(C)CC(N)B(O)O MC442652 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.23 CC(C)CC(N)B(O)O MC442682 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.23 CC(C)CC(N)B(O)O MC442688 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.23 CC(C)CC(N)B(O)O MC442689 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,0,0|0,0,0]=1 55 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,0,0|0,0,0]=1 57 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,0,0|0,0,0]=1 63 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,0,0|0,0,0]=1 64 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,0,0|0,0,0]=1 65 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.29 NS(=O)(=O)CCC(=O)O CS14468 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.29 O=C(O)CCC(F)(F)F CS22479 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.3 CC1COC(C)CN1 MC107001 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.3 CC1COC(C)CN1 MC107002 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.3 CN1CCC(O)CC1 CS13491 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.3 NC1CCC(O)CC1 CS12038 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.3 NC1CCC(O)CC1 CS15381 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.3 NC1CCC(O)CC1 CS18581 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.3 NC1CCC(O)CC1 CS18592 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.3 OC1CCC(O)CC1 CS20531 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.3 OC1CCC(O)CC1 MC103601 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,0,0,1,0,0|0,0,2]=3 96 B8R1.23 CC(C)N1CC(O)C1 MC444113 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,0,0|0,0,0]=1 98 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,0,0|0,0,0]=1 99 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,0,0|0,0,0]=1 100 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,1,0,0|1,0,0]=2 101 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,1,0,0|1,0,0]=2 102 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,1,0,0|1,0,0]=2 103 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,1,0,0|1,0,0]=2 105 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,1,0,0|1,0,0]=2 107 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,1,0,0|1,0,0]=2 108 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,1,0,0|1,0,0]=2 110 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,1,0,0|1,0,1]=3 112 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,0|0,0,0]=1 114 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.51 CC1(O)CCC(N)C1 MC104923 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.51 NC1CCS(=O)(=O)C1 CS22113 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.51 O=S1(=O)CCC(O)C1 MC107294 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,0|0,0,0]=1 120 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,0,1,0,0|1,0,0]=2 121 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,0,0,1,0,0|2,0,0]=3 123 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,1,0|1,0,0]=2 124 B6R0.2 CC(Br)CC(N)=S MC106193 [0,0,0,0,1,0|2,1,0]=4 125 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,1,0|0,0,2]=3 126 B6R0.2 CC(C)CB(O)O CS22276 [0,0,0,0,1,0|1,0,1]=3 127 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,1,0|1,0,0]=2 128 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,1,0|1,0,0]=2 129 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,1,0|1,0,0]=2 130 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,1,0|1,0,0]=2 131 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,1,0|1,0,0]=2 132 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,1,0|1,0,1]=3 133 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,1,0|1,0,0]=2 134 B6R0.2 CN(C)CC(N)=S CS15155 [0,0,0,0,1,0|2,1,0]=4 135 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,1,0|2,0,0]=3 136 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,1,0|2,0,0]=3 137 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,1,0|2,0,1]=4 138 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,1,0|2,0,1]=4 139 B8R0.28 CC(C)CCCC(C)N MC446672 [0,0,0,0,0,1|2,0,1]=4 140 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,1|1,0,0]=2 141 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,1|1,0,1]=3 142 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,1|1,0,1]=3 143 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,1|1,0,1]=3 144 B8R0.28 NC(=O)NCCC(=O)O MC436834 [0,0,0,0,0,1|2,0,1]=4 145 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,0,0,0,0,1|2,0,1]=4 146 B8R0.28 O=C(O)COCC(O)=S MC445127 [0,0,0,0,0,1|2,0,1]=4 147 B5R0.1 CC#CC(=O)O MC20776 [2,0,0,0,0,0|0,0,2]=4 148 B5R0.1 CC(C)CC=O CS11530 [2,0,0,0,0,0|0,0,0]=2 149 B5R0.1 CC(N)CCO CS14355 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.1 CC(N)CCO CS14356 [2,0,0,0,0,0|1,0,0]=3 151 B5R0.1 CC(N)CCO CS22096 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.1 CCCB(O)O CS14802 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|1,0,1]=4 155 B5R0.1 CN(C)CC=O CS17734 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.1 CN(C)CCBr CS10949 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.1 CN(C)CCCl CS14471 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.1 CN(C)CCCl CS17225 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.1 CN(C)CCN CS18603 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.1 CN(C)CCO CS11733 [2,0,0,0,0,0|1,0,0]=3 161 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,0]=3 162 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,0]=3 165 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|0,0,2]=4 169 B5R0.1 N#CCC(=O)O MC41881 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|1,0,0]=3 171 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|1,0,0]=3 173 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|1,0,1]=4 176 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|1,0,1]=4 177 B7R0.2 CC(C)CC(N)CO CS14853 [1,1,0,0,0,0|0,0,1]=3 178 B7R0.2 CC(C)CC(N)CO CS19307 [1,1,0,0,0,0|0,0,1]=3 179 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.2 CN(C)CC(O)CO CS15349 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.2 COC(=O)CC(=O)O CS13436 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.2 NCC(O)CC(=O)O CS16710 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.3 C#CCCC(=O)OC MC424002 [1,1,0,0,0,0|0,0,2]=4 184 B7R0.3 C=CCCC(O)CCl MC114485 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.3 CCC(O)CCCO MC116029 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|1,0,0]=3 188 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.3 COCCC(=O)NN MC111753 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.4 C#CCCCC(=O)O CS14686 [1,1,0,0,0,0|0,0,1]=3 191 B7R0.4 C=CCNCC(=O)O MC439317 [1,1,0,0,0,0|0,0,2]=4 192 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.4 CC(O)CCCCO MC112436 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.4 CCCCCB(O)O CS22305 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.4 CCCCCC(C)O CS21570 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|0,0,0]=2 197 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,1,0,0,0,0|0,0,2]=4 199 B7R0.4 CN(C)CCCCO CS22813 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.4 COCCCC(C)N MC112163 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|0,0,0]=2 202 B7R0.4 NCCNCC(=O)O MC436179 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|0,0,0]=2 204 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,1,0,0,0,0|0,0,2]=4 205 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,1,0,0,0,0|0,0,2]=4 206 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,1,0,0,0,0|0,0,2]=4 207 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,1,0,0,0,0|0,0,2]=4 208 B7R0.5 CCCC(N)C(=O)O CS10518 [1,1,0,0,0,0|0,0,0]=2 209 B7R0.5 CCCC(N)C(=O)O CS17028 [1,1,0,0,0,0|0,0,0]=2 210 B7R0.5 CCCC(N)C(=O)O MC439125 [1,1,0,0,0,0|0,0,0]=2 211 B7R0.5 CCCC(N)C(N)=O MC438024 [1,1,0,0,0,0|1,0,0]=3 212 B7R0.5 COCC(N)C(=O)O CS12183 [1,1,0,0,0,0|1,0,0]=3 213 B7R0.5 COCC(N)C(=O)O CS16755 [1,1,0,0,0,0|1,0,0]=3 214 B7R0.5 COCC(N)C(=O)O CS20335 [1,1,0,0,0,0|1,0,0]=3 215 B7R0.5 CSCC(N)C(=O)O MC439293 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.5 NC(CCO)C(=O)O CS13886 [1,1,0,0,0,0|1,0,0]=3 220 B7R0.5 NC(CCO)C(=O)O CS16701 [1,1,0,0,0,0|1,0,0]=3 221 B7R0.5 NC(CCO)C(=O)O CS22620 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.5 NCCC(N)C(=O)O CS13874 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.5 NCCC(N)C(=O)O CS15080 [1,1,0,0,0,0|1,0,0]=3 224 B7R0.5 NCCC(N)C(=O)O MC436921 [1,1,0,0,0,0|1,0,0]=3 225 B7R0.5 NCCC(N)C(=O)O MC439091 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.5 NCCC(N)C(=O)O MC439321 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.5 NCCC(O)C(=O)O CS15496 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.5 NCCC(O)C(=O)O CS21759 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.8 CCCCS(=O)(=O)F MC32077 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.8 CCCCS(=O)(=O)O MC32078 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.8 CCCCS(N)(=O)=O MC32080 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.8 NCCCP(=O)(O)O CS22520 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.8 NCCCS(=O)(=O)O MC20858 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,1,0|0,0,0]=2 237 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,1,0,0,1,0|2,0,0]=4 238 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,1,0|0,0,0]=2 239 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,1,0|0,0,0]=2 240 B7R0.9 CC(C)CS(=O)(=O)Cl MC33117 [0,1,0,0,1,0|1,0,1]=4 241 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,1,0,0,1,0|1,0,1]=4 242 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,1,0|1,0,0]=3 243 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,1,0,0,1,0|1,0,1]=4 244 B7R0.9 O=C(O)CC(F)(F)F MC429455 [0,1,0,0,1,0|2,0,0]=4 245 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,1,0|0,0,2]=4 246 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,1,0|0,0,0]=2 247 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,1,0|0,0,0]=2 248 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,1,0|0,0,0]=2 249 B7R0.16 CC(C)C(N)B(O)O MC442651 [0,1,0,0,1,0|1,0,1]=4 250 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,1,0|0,0,0]=2 251 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,1,0|0,0,0]=2 252 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,1,0|0,0,0]=2 253 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,1,0|1,0,0]=3 254 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,1,0|1,0,0]=3 255 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,1,0|1,0,0]=3 256 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,1,0|0,0,0]=2 257 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,1,0|0,0,0]=2 258 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,1,0|1,0,0]=3 259 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,1,0|1,0,0]=3 260 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,1,0|1,0,0]=3 261 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,1,0|1,0,0]=3 262 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,1,0|1,0,0]=3 263 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,1,0,0,1,0|2,0,0]=4 264 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,0,0,1,0|1,0,1]=4 265 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,1,0,0,0,1|1,0,1]=4 266 B9R0.1 NCC(=O)NCCC(=O)O MC435044 [0,1,0,0,0,1|1,0,1]=4 267 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,1,0,0,0,1|0,0,2]=4 268 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,1,0,0,0,1|0,0,2]=4 269 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,1,0,0,0,1|1,0,1]=4 270 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,1,0,0,0,1|1,0,1]=4 271 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,1,0,0,0,1|0,0,0]=2 272 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,1,0,0,0,1|2,0,0]=4 273 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,1,0,0,0,1|0,0,0]=2 274 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,1,0,0,0,1|0,0,0]=2 275 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,1,0,0,0,1|0,0,0]=2 276 B9R0.21 COC(=O)CCC(C)(C)N MC112459 [0,2,0,0,0,0|0,0,0]=2 277 B9R0.23 CC(C)CC(N)C(=O)CCl MC437823 [0,2,0,0,0,0|1,0,0]=3 278 B9R0.23 CC(C)CC(N)\C(O)=N\O MC437831 [0,2,0,0,0,0|0,0,1]=3 279 B9R0.23 CCC(=O)C(C)CN(C)C CS12103 [0,2,0,0,0,0|2,0,0]=4 280 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,2,0,0,0,0|0,0,0]=2 281 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,2,0,0,0,0|1,0,1]=4 282 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,2,0,0,0,0|1,0,1]=4 283 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,2,0,0,0,0|1,0,1]=4 284 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,2,0,0,0,0|1,0,1]=4 285 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,2,0,0,0,0|0,0,0]=2 286 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,2,0,0,0,0|0,0,0]=2 287 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,2,0,0,0,0|0,0,0]=2 288 B9R0.24 COC(=O)CCS(=O)OC MC425069 [0,2,0,0,0,0|2,0,0]=4 289 B9R0.42 CCC(=O)OC(Cl)C(C)C CS20670 [0,2,0,0,0,0|2,0,0]=4 290 B9R0.42 COC(=O)CC(=O)C(C)C CS11675 [0,2,0,0,0,0|0,0,1]=3 291 B9R0.42 COC(=O)CC(=O)C(C)F MC106085 [0,2,0,0,0,0|1,0,1]=4 292 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,2,0,0,0,0|1,0,1]=4 293 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.43 CC(=O)SCC(CN)CN MC112757 [0,2,0,0,0,0|2,0,0]=4 296 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|0,0,0]=2 297 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.10 CC(C)(C)C(N)CC(=O)O CS20286 [0,2,0,0,0,0|0,0,0]=2 299 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437916 [0,2,0,0,0,0|0,0,0]=2 300 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437918 [0,2,0,0,0,0|0,0,0]=2 301 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437919 [0,2,0,0,0,0|0,0,0]=2 302 B9R0.39 CNC(CC(C)C)C(=O)O MC435478 [0,2,0,0,0,0|0,0,0]=2 303 B9R0.39 CNC(CC(C)C)C(=O)O MC437917 [0,2,0,0,0,0|0,0,0]=2 304 B9R0.39 CNC(CC(C)C)C(=O)O MC437920 [0,2,0,0,0,0|0,0,0]=2 305 B9R0.57 CC(C)(C)CC(N)C(=O)O MC100406 [0,2,0,0,0,0|0,0,0]=2 306 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436788 [0,2,0,0,0,0|0,0,0]=2 307 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436789 [0,2,0,0,0,0|0,0,0]=2 308 B9R0.79 CC(C)C(O)C(N)C(=O)O MC116178 [0,2,0,0,0,0|0,0,0]=2 309 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|0,0,2]=4 310 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 312 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,0]=3 313 B7R1.2 CN1CCC(O)C1 MC20690 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.2 CN1CCC(O)C1 MC444062 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.2 CN1CCC(O)C1 MC444273 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.2 NC1CCC(O)C1 CS12946 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.2 NC1CCC(O)C1 CS14798 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.2 NC1CCC(O)C1 CS15869 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.2 NC1CCC(O)C1 CS16172 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,1,0,0|1,0,1]=4 328 B7R1.3 CC1COCCN1 CS14856 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.3 CC1COCCN1 CS20285 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.3 CC1COCCN1 CS22371 [1,0,0,1,0,0|1,0,1]=4 331 B7R1.3 CC1COCCN1 CS22413 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.3 CC1COCCN1 MC20820 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.3 CN1CC=CCC1 CS20742 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|1,0,1]=4 335 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 336 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,0]=2 337 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,0]=3 345 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,0]=3 347 B7R1.3 OC1CCCOC1 CS17782 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.5 CC1CC1N=C=O MC121381 [1,0,0,1,0,0|1,0,1]=4 349 B7R1.7 C=CCCC1CO1 MC42008 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.10 NC1CC(CO)C1 MC101938 [1,0,0,1,0,0|1,0,1]=4 351 B7R1.10 NC1CC(CO)C1 MC101939 [1,0,0,1,0,0|1,0,1]=4 352 B7R1.10 NC1CC(CO)C1 MC103939 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.10 NC1CC(CO)C1 MC104003 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.10 NC1CC(CO)C1 MC104004 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.10 NC1CC(CO)C1 MC112994 [1,0,0,1,0,0|1,0,1]=4 356 B7R1.10 NCC1CC(=O)C1 MC444212 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.10 NCC1CC(=O)N1 MC111758 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.10 O=C1CC(CI)N1 MC111759 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.10 O=C1CC(CO)C1 MC113039 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|0,0,0]=2 361 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|0,0,0]=2 362 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.12 NC(=O)C1CC1F MC102846 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.12 O=C(O)C1CC1Br MC430635 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.12 O=C(O)C1CC1F MC21162 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.12 O=C(O)C1CC1F MC425300 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.12 O=C(O)C1CC1F MC425301 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.12 O=C(O)C1CC1F MC425302 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.12 O=C(O)C1CC1F MC425316 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.12 O=C(O)C1CC1I MC102749 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.12 O=C(O)C1CC1I MC425298 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.14 CC1(O)CCCC1 CS20768 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.18 CC(O)C1CCC1 CS20672 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.18 NC(=O)C1CNC1 MC10515 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.18 NC(=O)C1CNC1 MC10516 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|0,0,0]=2 377 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|1,0,0]=3 378 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|1,0,0]=3 379 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|1,0,0]=3 380 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|1,0,0]=3 381 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|1,0,0]=3 382 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|1,0,0]=3 383 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|1,0,0]=3 384 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|1,0,0]=3 385 B7R1.18 OB(O)C1CCC1 CS12533 [1,0,0,1,0,0|1,0,1]=4 386 B7R1.20 N=C(N)CC1CC1 MC114877 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|0,0,0]=2 388 B7R1.23 O=CC1CC1(F)F MC429258 [1,0,0,1,0,0|2,0,0]=4 389 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,0,0,1,0,1|1,0,0]=3 390 B9R1.35 CC(C)C1CSC(=S)N1 CS14634 [0,0,0,1,0,1|1,1,0]=4 391 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,1,0,1|0,0,0]=2 392 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,0,0,1,0,1|1,0,0]=3 393 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,0,0,1,0,1|1,0,0]=3 394 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,0,0,1,0,1|1,0,0]=3 395 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,0,0,1,0,1|1,0,0]=3 396 B9R1.35 NC(=O)C1CC(F)CN1 MC114665 [0,0,0,1,0,1|2,0,0]=4 397 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,0,0,1,0,1|1,0,0]=3 398 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,0,0,1,0,1|1,0,0]=3 399 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,0,0,1,0,1|1,0,0]=3 400 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,0,0,1,0,1|1,0,0]=3 401 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,0,0,1,0,1|1,0,0]=3 402 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,0,0,1,0,1|1,0,0]=3 403 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,0,0,1,0,1|1,0,0]=3 404 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,0,0,1,0,1|1,0,0]=3 405 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,0,0,1,0,1|1,0,0]=3 406 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,0,0,1,0,1|1,0,0]=3 407 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,0,0,1,0,1|1,0,0]=3 408 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,0,0,1,0,1|1,0,0]=3 409 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,0,0,1,0,1|1,0,0]=3 410 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,0,0,1,0,1|1,0,0]=3 411 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,0,0,1,0,1|1,0,0]=3 412 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,0,0,1,0,1|1,0,0]=3 413 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,0,0,1,0,1|1,0,0]=3 414 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,1,0,1|1,0,1]=4 415 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,1,0,1|1,0,1]=4 416 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,1,0,1|1,0,1]=4 417 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,0,0,1,0,1|2,0,0]=4 418 B9R1.53 CC(=O)NC1CC(N)C1 MC104659 [0,0,0,1,0,1|2,0,0]=4 419 B9R1.53 NC1CC(CC(=O)O)C1 MC103479 [0,0,0,1,0,1|1,0,0]=3 420 B9R1.53 NC1CC(CC(=O)O)C1 MC103480 [0,0,0,1,0,1|1,0,0]=3 421 B9R1.53 NC1CC(CC(=O)O)C1 MC103481 [0,0,0,1,0,1|1,0,0]=3 422 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,0,0,1,0,1|1,0,0]=3 423 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,0,0,1,0,1|1,0,0]=3 424 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.1 CNC1CCC(O)CC1 MC103812 [0,1,0,1,0,0|1,0,1]=4 426 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.1 COC1CCC(O)CC1 CS15906 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.1 N#CC1CCC(=O)CC1 CS13355 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.1 NCC1CCC(O)CC1 MC102788 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.1 NCC1CCC(O)CC1 MC103405 [0,1,0,1,0,0|1,0,1]=4 432 B9R1.1 NCC1CCC(O)CC1 MC104233 [0,1,0,1,0,0|1,0,1]=4 433 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.10 C=C1CCC(C)(C)CC1 MC105700 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.10 CC1(C)CCC(O)CC1 CS22482 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.10 CC1(C)OCC(=O)CO1 MC425473 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.10 CC1(N)CCC(O)CC1 MC103484 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.10 O=C1CCC(F)(F)CC1 MC10539 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.10 O=C1CCC(F)(F)CN1 MC105162 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,1,0,0|1,0,1]=4 443 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.82 COC(=O)C1CC(Br)C1 MC103784 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.82 COC(=O)C1CC(Br)C1 MC103785 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.82 COC(=O)C1CC(Cl)C1 MC444530 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.82 COC(=O)C1CC(N)C1 CS15952 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.82 COC(=O)C1CC(N)C1 MC103928 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.82 COC(=O)C1CC(N)C1 MC103997 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.82 COC(=O)C1CC(N)C1 MC444564 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.82 COC(=O)C1CC(O)C1 MC444276 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.82 COC(=O)C1CC(O)C1 MC444557 [0,1,0,1,0,0|1,0,0]=3 458 B9R1.82 COC(=O)C1CC(O)C1 MC444565 [0,1,0,1,0,0|1,0,0]=3 459 B9R1.84 O=C(O)COC1CCC1 MC33255 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.95 CC(=O)N1CC(CO)C1 MC111767 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.95 COC1CC(C(=O)O)C1 MC102156 [0,1,0,1,0,0|0,0,0]=2 462 B9R1.95 COC1CC(C(=O)O)C1 MC103811 [0,1,0,1,0,0|0,0,0]=2 463 B9R1.95 NCC1CC(C(=O)O)C1 MC105165 [0,1,0,1,0,0|0,0,0]=2 464 B9R1.95 O=C(O)C1CC(CO)C1 MC103733 [0,1,0,1,0,0|0,0,0]=2 465 B9R1.133 NCC1CCS(=O)(=O)C1 MC104488 [0,1,0,1,0,0|1,0,1]=4 466 B9R1.112 CC(NC1CC1)C(=O)O MC436876 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,1,0,1,0,0|0,0,0]=2 468 B9R1.152 C=C1CC(C)(C(=O)O)C1 MC105172 [0,1,0,1,0,0|0,0,2]=4 469 B9R1.152 CC1(C(=O)O)CC(N)C1 MC103378 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.152 CC1(C(=O)O)CC(N)C1 MC104860 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104153 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104155 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.152 NC1(C(=O)O)CC(F)C1 MC104156 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.152 NC1(C(=O)O)CC(O)C1 MC110551 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.164 CC1(C)C=C(C(=O)O)C1 MC101960 [0,1,0,1,0,0|0,0,1]=3 476 B9R1.164 CC1(C)CC(C(=O)O)C1 MC444205 [0,1,0,1,0,0|0,0,0]=2 477 B9R1.164 CC1(F)CC(C(=O)O)C1 MC111625 [0,1,0,1,0,0|0,0,0]=2 478 B9R1.164 CC1(F)CC(C(=O)O)C1 MC116400 [0,1,0,1,0,0|0,0,0]=2 479 B9R1.164 CC1(O)CC(C(=O)O)C1 CS16009 [0,1,0,1,0,0|0,0,0]=2 480 B9R1.164 CC1(O)CC(C(=O)O)C1 MC103746 [0,1,0,1,0,0|0,0,0]=2 481 B9R1.164 O=C(O)C1CC(F)(F)C1 CS21901 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MC425158 [0,1,0,1,0,0|2,0,0]=4 483 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,0,0,2,0,0|2,0,0]=4 484 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,2,0|1,0,1]=4 485 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,2,0|1,0,0]=3 486 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,2,0|1,0,0]=3 487 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,2,0|1,0,0]=3 488 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,2,0|1,0,0]=3 489 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,2,0|1,0,0]=3 490 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,2,0|1,0,0]=3 491 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,2,0|1,0,0]=3 492 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,2,0|1,0,0]=3 493 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,2,0|1,0,0]=3 494 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,2,0|2,0,0]=4 495 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,2,0|2,0,0]=4 496 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,2,0|2,0,0]=4 497 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,2,0|2,0,0]=4 498 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,2,0|1,0,0]=3 499 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,2,0|2,0,0]=4 500 B5R0.5 O=C(O)C(F)F MC20641 [0,0,0,0,2,0|2,0,0]=4