0 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.2 C(CCCN)CCC(=O)O TS48161 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.2 C(CCCN)CCC(=O)O TS59742 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.2 C(CCCO)CCC(=O)O TS55677 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 C(CCN=O)CNC(=O)N TS07094 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.2 CC(=O)OCCCCC=C TS06720 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.2 CC(=O)OCCCCCBr TS20687 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.2 CC(=O)OCCCCCCl TS11956 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.2 CC(=O)OCCOCC#C TS37557 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.2 CC(C)CCCCCCBr TS39155 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.2 CC(C)CCCCCCN TS06894 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.2 CCCCCCCC(=C)C TS06520 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.2 CCCCCCCC(=O)C TS06758 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.2 CCCCCCCC(=O)Cl TS11637 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.2 CCCCCCCC(=O)N TS40110 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.2 CCCCCCCC(=O)O TS40219 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.2 CCCCCCCC(C)Br TS39158 [0,0,0,0,0,0|1,0,3]=4 22 B9R0.2 CCCCCCCC(C)C TS37672 [0,0,0,0,0,0|1,0,3]=4 23 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [0,0,0,0,0,0|1,0,3]=4 24 B9R0.2 CCCCCCC[C@H](C)N TS06890 [0,0,0,0,0,0|1,0,3]=4 25 B9R0.2 CCCCCCOC(=O)C TS40201 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.2 CCCCCCOC(=O)Cl TS11953 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.2 CCCCNCCC(=O)N TS07002 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.2 CCCCNCCC(=O)O TS40320 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.2 CN(C)CCCCCCN TS07034 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.2 CN(C)CCCCCCO TS40334 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.4 C=CCCCCCC=C TS05042 [1,0,0,0,0,0|0,0,1]=2 32 B8R0.4 C=CCCCCCCBr TS01315 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.4 C=CCCCCCCO TS05382 [1,0,0,0,0,0|0,0,2]=3 34 B8R0.4 CC=CCCCC=CC TS05044 [1,0,0,0,0,0|0,0,3]=4 35 B8R0.4 CCCCC#CCC=C TS04924 [1,0,0,0,0,0|0,0,3]=4 36 B8R0.4 CCCCCC#CC=C TS32531 [1,0,0,0,0,0|0,0,3]=4 37 B8R0.4 CCCCCCC=CC TS05227 [1,0,0,0,0,0|0,0,3]=4 38 B8R0.4 CCCCCCCC#C TS05045 [1,0,0,0,0,0|0,0,3]=4 39 B8R0.4 CCCCCCCC#N TS05112 [1,0,0,0,0,0|1,0,2]=4 40 B8R0.4 CCCCCCCC=C TS05208 [1,0,0,0,0,0|0,0,1]=2 41 B8R0.4 CCCCCCCC=O TS05399 [1,0,0,0,0,0|0,0,2]=3 42 B8R0.4 CCCCCCCCBr TS00038 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.4 CCCCCCCCC TS05427 [1,0,0,0,0,0|0,0,3]=4 44 B8R0.4 CCCCCCCCCl TS07517 [1,0,0,0,0,0|1,0,2]=4 45 B8R0.4 CCCCCCCCF TS05771 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.4 CCCCCCCCN TS05489 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.4 CCCCCCCCN TS12120 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.4 CCCCCCCCN TS20855 [1,0,0,0,0,0|1,0,2]=4 49 B8R0.4 CCCCCCCCO TS36550 [1,0,0,0,0,0|1,0,2]=4 50 B8R0.4 CCCCCCCCS TS40481 [1,0,0,0,0,0|1,0,2]=4 51 B8R0.4 CCCCCCCC[Si] TS07042 [1,0,0,0,0,0|0,1,2]=4 52 B8R0.4 CCCCCCCNC TS05499 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.4 CCCCCCOC=O TS36508 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.4 CCCCCOCC=C TS05379 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.4 CNCCCCCCO TS36615 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.4 COCCCCCOC TS36689 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.7 C#CCCCCC(=O)O TS05162 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.7 C(CCC(=O)N)CCBr TS17766 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.7 C(CCC(=O)N)CCN TS93750 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.7 C(CCC(=O)O)CCBr TS55559 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.7 C(CCC(=O)O)CCCl TS09966 [1,0,0,0,0,0|2,0,0]=3 64 B8R0.7 C(CCC(=O)O)CCN TS33197 [1,0,0,0,0,0|2,0,0]=3 65 B8R0.7 C(CCC(=O)O)CCN TS94650 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.7 C(CCC(=O)O)CCO TS55607 [1,0,0,0,0,0|2,0,0]=3 67 B8R0.7 C(CCCl)COC(=O)Cl TS12954 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.7 C(CCON)CC(=O)O TS44444 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.7 C=CCCCCC(=O)O TS36303 [1,0,0,0,0,0|1,0,0]=2 70 B8R0.7 C=CCOCCC(=O)O TS05525 [1,0,0,0,0,0|2,0,0]=3 71 B8R0.7 CC(=O)NCCCCN TS43167 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.7 CC(=O)OCCCC#C TS05160 [1,0,0,0,0,0|1,0,2]=4 73 B8R0.7 CC(=O)OCCCC=C TS05339 [1,0,0,0,0,0|1,0,0]=2 74 B8R0.7 CC(=O)OCCCCBr TS17993 [1,0,0,0,0,0|2,0,0]=3 75 B8R0.7 CC(=O)OCCCCI TS26787 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.7 CC(=O)OCCCSC TS07491 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.7 CC(=O)OCCOCBr TS53799 [1,0,0,0,0,0|3,0,0]=4 78 B8R0.7 CC(C)CCCCCBr TS51602 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.7 CC(C)CCCCCN TS05491 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.7 CCCCC=CC(=O)C TS05179 [1,0,0,0,0,0|0,0,3]=4 81 B8R0.7 CCCCCCC(=O)C TS36325 [1,0,0,0,0,0|0,0,1]=2 82 B8R0.7 CCCCCCC(=O)Cl TS07515 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.7 CCCCCCC(=O)N TS36432 [1,0,0,0,0,0|1,0,1]=3 84 B8R0.7 CCCCCCC(=O)O TS05558 [1,0,0,0,0,0|1,0,1]=3 85 B8R0.7 CCCCCCC(=O)[O-] TS10169 [1,0,0,0,0,0|1,0,1]=3 86 B8R0.7 CCCCCCC(C)Br TS51603 [1,0,0,0,0,0|1,0,2]=4 87 B8R0.7 CCCCCCC(C)C TS05423 [1,0,0,0,0,0|1,0,2]=4 88 B8R0.7 CCCCCCC(C)Cl TS07520 [1,0,0,0,0,0|1,0,2]=4 89 B8R0.7 CCCCCCC(C)I TS26460 [1,0,0,0,0,0|1,0,2]=4 90 B8R0.7 CCCCCCC(C)N TS05493 [1,0,0,0,0,0|1,0,2]=4 91 B8R0.7 CCCCCCC(C)O TS05590 [1,0,0,0,0,0|0,0,3]=4 92 B8R0.7 CCCCCCC(C)S TS40477 [1,0,0,0,0,0|0,1,2]=4 93 B8R0.7 CCCCCC[C@@H](C)N TS05497 [1,0,0,0,0,0|1,0,2]=4 94 B8R0.7 CCCCCC[C@@H](C)O TS05598 [1,0,0,0,0,0|0,0,3]=4 95 B8R0.7 CCCCCC[C@H](C)N TS05488 [1,0,0,0,0,0|1,0,2]=4 96 B8R0.7 CCCCCC[C@H](C)O TS46634 [1,0,0,0,0,0|0,0,3]=4 97 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [1,0,0,0,0,0|2,0,1]=4 98 B8R0.7 CCCCCOC(=O)C TS05568 [1,0,0,0,0,0|1,0,1]=3 99 B8R0.7 CCCCCOC(=O)Cl TS59753 [1,0,0,0,0,0|2,0,1]=4 100 B8R0.7 CCCCOCC(=O)O TS05720 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.7 CCOCCOC(=O)C TS05728 [1,0,0,0,0,0|2,0,1]=4 102 B10R0.3 CC(CCC=C(C)C)CC=O TS41442 [0,1,0,0,0,0|2,0,1]=4 103 B10R0.3 CCCC(C)CCOC(=O)C TS11027 [0,1,0,0,0,0|1,0,2]=4 104 B10R0.3 CCCC(CCOC(=O)C)S TS46183 [0,1,0,0,0,0|1,0,2]=4 105 B10R0.3 C[C@@H](CCC=C(C)C)CC=O TS41429 [0,1,0,0,0,0|2,0,1]=4 106 B10R0.4 C#CCCCCCCC(=O)O TS29475 [0,1,0,0,0,0|1,0,2]=4 107 B10R0.4 C(CCCC(=O)O)CCCBr TS01319 [0,1,0,0,0,0|1,0,2]=4 108 B10R0.4 C(CCCC(=O)O)CCCN TS11174 [0,1,0,0,0,0|1,0,2]=4 109 B10R0.4 C(CCCC(=O)O)CCCO TS11268 [0,1,0,0,0,0|1,0,2]=4 110 B10R0.4 C(CCNCCC(=O)O)CN TS68144 [0,1,0,0,0,0|2,0,1]=4 111 B10R0.4 CC(=O)OCCCCCC=C TS10714 [0,1,0,0,0,0|0,0,0]=1 112 B10R0.4 CC(=O)OCCCCCCBr TS50269 [0,1,0,0,0,0|1,0,1]=3 113 B10R0.4 CCCCCCC=CC(=O)C TS10484 [0,1,0,0,0,0|0,0,3]=4 114 B10R0.4 CCCCCCCCC(=O)C TS10747 [0,1,0,0,0,0|0,0,2]=3 115 B10R0.4 CCCCCCCCC(=O)Cl TS46204 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.4 CCCCCCCCC(=O)N TS10891 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.4 CCCCCCCCC(=O)O TS11031 [0,1,0,0,0,0|1,0,2]=4 118 B10R0.4 CCCCCCCCC(=O)[O-] TS14628 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.4 CCCCCCCNC(=O)N TS41954 [0,1,0,0,0,0|1,0,2]=4 120 B10R0.4 CCCCCCCOC(=O)Cl TS47643 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.4 CCCCOCCOC(=O)C TS11278 [0,1,0,0,0,0|1,0,2]=4 122 B10R0.4 CS(=O)CCCCCN=C=S TS17359 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N TS25356 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [0,1,0,0,0,0|0,0,3]=4 125 B10R0.6 CCCCCC(C)CC(=O)O TS11024 [0,1,0,0,0,0|1,0,2]=4 126 B10R0.6 CCCCCC(CC(=O)O)O TS11269 [0,1,0,0,0,0|1,0,2]=4 127 B10R0.22 CCCCCCCN(=O)(C)C TS42089 [0,1,0,0,0,0|1,0,2]=4 128 B10R0.74 C=CCOCCOC(=O)C=C TS10669 [0,1,0,0,0,0|2,0,1]=4 129 B10R0.74 CCCCCCCC(=O)CC TS41682 [0,1,0,0,0,0|0,0,2]=3 130 B10R0.74 CCCCCCCC(=O)NN TS41952 [0,1,0,0,0,0|1,0,2]=4 131 B10R0.74 CCCCCCCC(=O)N[O-] TS14789 [0,1,0,0,0,0|1,0,2]=4 132 B10R0.74 CCCCCCCC(=O)OC TS01755 [0,1,0,0,0,0|0,0,2]=3 133 B10R0.74 CCCCCCOC(=O)CC TS41939 [0,1,0,0,0,0|1,0,2]=4 134 B10R0.74 CCCCCCOC(=O)CN TS18152 [0,1,0,0,0,0|1,0,2]=4 135 B10R0.74 CCCCNCCC(=O)OC TS11160 [0,1,0,0,0,0|1,0,2]=4 136 B10R0.74 COC(=O)CCCCCC=O TS41903 [0,1,0,0,0,0|1,0,0]=2 137 B10R0.74 COC(=O)CCCCCCN TS11176 [0,1,0,0,0,0|1,0,1]=3 138 B10R0.74 COC(=O)CCCCCCN TS85142 [0,1,0,0,0,0|1,0,1]=3 139 B10R0.75 CCCCCCC(C(=O)O)Br TS50267 [0,1,0,0,0,0|1,0,2]=4 140 B10R0.75 CCCCCCC(C(=O)O)N TS11153 [0,1,0,0,0,0|1,0,2]=4 141 B10R0.75 CCCCCCC(C(=O)O)O TS11275 [0,1,0,0,0,0|1,0,2]=4 142 B10R0.75 CCCCCCC(C)C(=O)O TS11035 [0,1,0,0,0,0|1,0,2]=4 143 B10R0.75 CCCCCC[C@@H](C(=O)O)N TS11157 [0,1,0,0,0,0|1,0,2]=4 144 B10R0.75 CCCCCC[C@H](C(=O)O)N TS11158 [0,1,0,0,0,0|1,0,2]=4 145 B10R0.75 CNCCCC[C@@H](C(=O)O)N TS18381 [0,1,0,0,0,0|2,0,1]=4 146 B10R0.78 CC(=O)NCC(CCCCl)Cl TS53956 [0,1,0,0,0,0|2,0,1]=4 147 B10R0.78 CCCCC(C)CCC(=O)O TS41944 [0,1,0,0,0,0|1,0,2]=4 148 B10R0.97 C(CCC(=O)Cl)CCC(=O)Cl TS18409 [0,1,0,0,0,0|2,0,0]=3 149 B10R0.97 C(CCC(=O)O)CCC(=O)O TS39875 [0,1,0,0,0,0|2,0,0]=3 150 B10R0.97 C(CNCCC(=O)O)C(=O)O TS42266 [0,1,0,0,0,0|3,0,0]=4 151 B10R0.97 C(CSCCC(=O)N)C(=O)N TS13886 [0,1,0,0,0,0|3,0,0]=4 152 B10R0.97 C(CSCCC(=O)O)C(=O)O TS47540 [0,1,0,0,0,0|3,0,0]=4 153 B10R0.97 CC(=O)CCSCCC(=O)C TS45828 [0,1,0,0,0,0|1,0,1]=3 154 B10R0.97 CC(=O)NCSCCC(=O)O TS46292 [0,1,0,0,0,0|3,0,0]=4 155 B10R0.97 CC(=O)OCCCOC(=O)C TS42125 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.16 CCCCC1CCC(=O)O1 TS37606 [0,0,0,1,0,0|1,0,2]=4 157 B10R1.18 C1CC(CNC1)CC(=O)O TS14484 [0,0,0,1,0,0|2,0,1]=4 158 B10R1.18 C1CC(CNC1)CC(=O)O TS86609 [0,0,0,1,0,0|2,0,1]=4 159 B10R1.18 C1CCC(=CC1)CC(=O)O TS46941 [0,0,0,1,0,0|1,0,2]=4 160 B10R1.18 C1CCC(CC1)CC(=O)O TS06711 [0,0,0,1,0,0|1,0,2]=4 161 B10R1.18 C1CCOC(C1)CC(=O)O TS60188 [0,0,0,1,0,0|2,0,1]=4 162 B10R1.18 CC(=C)CC1CCCCC1 TS06328 [0,0,0,1,0,0|1,0,2]=4 163 B10R1.18 CC(=O)CC1=CCCCC1 TS37218 [0,0,0,1,0,0|0,0,2]=3 164 B10R1.18 CC(=O)CC1CCCCC1 TS06510 [0,0,0,1,0,0|0,0,2]=3 165 B10R1.18 CC(=O)NC1CCCNC1 TS16730 [0,0,0,1,0,0|2,0,1]=4 166 B10R1.18 CC(=O)OC1=CCCCC1 TS06468 [0,0,0,1,0,0|1,0,2]=4 167 B10R1.18 CC(=O)OC1CCCCC1 TS37599 [0,0,0,1,0,0|1,0,2]=4 168 B10R1.61 C1CCC(=O)C(C1)C(=O)N TS06586 [0,0,0,1,0,0|2,0,0]=3 169 B10R1.61 C1CCC(C(C1)C(=O)O)N TS06859 [0,0,0,1,0,0|2,0,1]=4 170 B10R1.61 C1CCC(C(C1)C(=O)O)O TS16698 [0,0,0,1,0,0|2,0,1]=4 171 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)N)O TS40080 [0,0,0,1,0,0|2,0,1]=4 172 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)O TS06865 [0,0,0,1,0,0|2,0,1]=4 173 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N TS40083 [0,0,0,1,0,0|2,0,1]=4 174 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N TS14483 [0,0,0,1,0,0|2,0,1]=4 175 B10R1.61 C1CNCC(C1=O)C(=O)O TS02247 [0,0,0,1,0,0|3,0,0]=4 176 B10R1.61 CC(C)C1CCCCC1=O TS06491 [0,0,0,1,0,0|2,0,1]=4 177 B10R1.61 CN1CCCCC1C(=O)O TS08695 [0,0,0,1,0,0|2,0,1]=4 178 B10R1.64 C1CC(=O)N(C1)CC(=O)N TS59357 [0,0,0,1,0,0|3,0,0]=4 179 B10R1.64 C1CC(=O)N(C1)CC(=O)O TS16711 [0,0,0,1,0,0|3,0,0]=4 180 B10R1.64 CC(=O)NC1CCSC1=O TS42071 [0,0,0,1,0,0|3,0,0]=4 181 B10R1.64 CC(=O)O[C@@H]1CCC[C@H]1O TS06956 [0,0,0,1,0,0|2,0,1]=4 182 B10R1.64 CC(C)CC1CCCC1=O TS06505 [0,0,0,1,0,0|2,0,1]=4 183 B10R1.66 C1CCC(C1)CCC(=O)Cl TS11340 [0,0,0,1,0,0|1,0,2]=4 184 B10R1.66 C1CCC(C1)CCC(=O)O TS37610 [0,0,0,1,0,0|1,0,2]=4 185 B10R1.66 CC(=O)CCn1cccn1 TS16749 [0,0,0,1,0,0|2,0,1]=4 186 B10R1.66 CC(=O)CCn1ccnc1 TS37201 [0,0,0,1,0,0|2,0,1]=4 187 B10R1.66 CC(=O)OCC1CCCO1 TS06945 [0,0,0,1,0,0|2,0,1]=4 188 B10R1.348 C1CCCC(CC1)C(=O)O TS01402 [0,0,0,1,0,0|1,0,2]=4 189 B7R0.1 C(CCC=O)CC=O TS29478 [2,0,0,0,0,0|1,0,0]=3 190 B7R0.1 C=CCCCCC#N TS31810 [2,0,0,0,0,0|1,0,1]=4 191 B7R0.1 C=CCCCCC=C TS04214 [2,0,0,0,0,0|0,0,1]=3 192 B7R0.1 C=CCCCCCBr TS59625 [2,0,0,0,0,0|1,0,0]=3 193 B7R0.1 C=CCCCCCCl TS36738 [2,0,0,0,0,0|1,0,0]=3 194 B7R0.1 C=CCCCCCO TS04461 [2,0,0,0,0,0|0,0,1]=3 195 B7R0.1 C=CCOCCCO TS04587 [2,0,0,0,0,0|1,0,1]=4 196 B7R0.1 C=COCCCCO TS32203 [2,0,0,0,0,0|1,0,1]=4 197 B7R0.1 CCCC#CCC=C TS04139 [2,0,0,0,0,0|0,0,2]=4 198 B7R0.1 CCCC=CCC=C TS31855 [2,0,0,0,0,0|0,0,2]=4 199 B7R0.1 CCCCC#CC=C TS31785 [2,0,0,0,0,0|0,0,2]=4 200 B7R0.1 CCCCC=CC=C TS31850 [2,0,0,0,0,0|0,0,2]=4 201 B7R0.1 CCCCCC=CC TS31964 [2,0,0,0,0,0|0,0,2]=4 202 B7R0.1 CCCCCCC#C TS31852 [2,0,0,0,0,0|0,0,2]=4 203 B7R0.1 CCCCCCC#N TS31893 [2,0,0,0,0,0|1,0,1]=4 204 B7R0.1 CCCCCCC=O TS32096 [2,0,0,0,0,0|0,0,1]=3 205 B7R0.1 CCCCCCCBr TS00035 [2,0,0,0,0,0|1,0,1]=4 206 B7R0.1 CCCCCCCCl TS36887 [2,0,0,0,0,0|1,0,1]=4 207 B7R0.1 CCCCCCCF TS32353 [2,0,0,0,0,0|1,0,1]=4 208 B7R0.1 CCCCCCCI TS52275 [2,0,0,0,0,0|1,0,1]=4 209 B7R0.1 CCCCCCCN TS04552 [2,0,0,0,0,0|1,0,1]=4 210 B7R0.1 CCCCCCCO TS32232 [2,0,0,0,0,0|1,0,1]=4 211 B7R0.1 CCCCCCCS TS05788 [2,0,0,0,0,0|1,0,1]=4 212 B7R0.1 CCCCCCNC TS04559 [2,0,0,0,0,0|1,0,1]=4 213 B7R0.1 CCCCCCOC TS32254 [2,0,0,0,0,0|1,0,1]=4 214 B7R0.1 CCCCCCSC TS05792 [2,0,0,0,0,0|1,0,1]=4 215 B7R0.1 CCCCOCC=C TS32094 [2,0,0,0,0,0|1,0,0]=3 216 B7R0.1 CCCSSCC=C TS40693 [2,0,0,0,0,0|2,0,0]=4 217 B7R0.1 CNCCCCC=C TS93899 [2,0,0,0,0,0|1,0,0]=3 218 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [2,0,0,0,0,0|2,0,0]=4 219 B7R0.4 C(CCBr)CC(=O)O TS14721 [2,0,0,0,0,0|2,0,0]=4 220 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [2,0,0,0,0,0|2,0,0]=4 221 B7R0.4 C(CCCl)CC(=O)O TS06138 [2,0,0,0,0,0|2,0,0]=4 222 B7R0.4 C(CCN)CC(=O)O TS04661 [2,0,0,0,0,0|2,0,0]=4 223 B7R0.4 C(CCN)CC(=O)O TS41314 [2,0,0,0,0,0|2,0,0]=4 224 B7R0.4 C=CCCCC(=O)O TS04449 [2,0,0,0,0,0|1,0,0]=3 225 B7R0.4 C=CCNCC(=O)O TS41063 [2,0,0,0,0,0|2,0,0]=4 226 B7R0.4 CC(=CCCC=C)C TS31846 [2,0,0,0,0,0|1,0,1]=4 227 B7R0.4 CC(=O)CCCC#N TS04252 [2,0,0,0,0,0|1,0,1]=4 228 B7R0.4 CC(=O)CCCCBr TS47671 [2,0,0,0,0,0|1,0,0]=3 229 B7R0.4 CC(=O)CCCCCl TS05947 [2,0,0,0,0,0|1,0,0]=3 230 B7R0.4 CC(=O)OCCC=C TS04442 [2,0,0,0,0,0|1,0,0]=3 231 B7R0.4 CC(=O)OCCCCl TS06130 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.4 CC(=O)OCCOC TS32328 [2,0,0,0,0,0|2,0,0]=4 233 B7R0.4 CC(C)CCCC=C TS31960 [2,0,0,0,0,0|1,0,1]=4 234 B7R0.4 CCCC#CC(=O)C TS31834 [2,0,0,0,0,0|0,0,2]=4 235 B7R0.4 CCCC=CC(=O)C TS31936 [2,0,0,0,0,0|0,0,2]=4 236 B7R0.4 CCCCC=C(C)C TS04347 [2,0,0,0,0,0|1,0,1]=4 237 B7R0.4 CCCCCC(=C)C TS04340 [2,0,0,0,0,0|1,0,0]=3 238 B7R0.4 CCCCCC(=O)C TS32098 [2,0,0,0,0,0|0,0,0]=2 239 B7R0.4 CCCCCC(=O)Cl TS05948 [2,0,0,0,0,0|1,0,0]=3 240 B7R0.4 CCCCCC(=O)N TS32152 [2,0,0,0,0,0|1,0,0]=3 241 B7R0.4 CCCCCC(=O)O TS32204 [2,0,0,0,0,0|1,0,0]=3 242 B7R0.4 CCCCCC(=O)[O-] TS37174 [2,0,0,0,0,0|1,0,0]=3 243 B7R0.4 CCCCCC(=O)[O-] TS58596 [2,0,0,0,0,0|1,0,0]=3 244 B7R0.4 CCCCCC(C)Br TS14342 [2,0,0,0,0,0|1,0,1]=4 245 B7R0.4 CCCCCC(C)C TS32120 [2,0,0,0,0,0|1,0,1]=4 246 B7R0.4 CCCCCC(C)Cl TS05959 [2,0,0,0,0,0|1,0,1]=4 247 B7R0.4 CCCCCC(C)N TS04560 [2,0,0,0,0,0|1,0,1]=4 248 B7R0.4 CCCCCC(C)O TS32255 [2,0,0,0,0,0|0,0,2]=4 249 B7R0.4 CCCCC[C@@H](C)N TS04556 [2,0,0,0,0,0|1,0,1]=4 250 B7R0.4 CCCCC[C@@H](C)O TS04622 [2,0,0,0,0,0|0,0,2]=4 251 B7R0.4 CCCCC[C@H](C)N TS04553 [2,0,0,0,0,0|1,0,1]=4 252 B7R0.4 CCCCC[C@H](C)O TS32248 [2,0,0,0,0,0|0,0,2]=4 253 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [2,0,0,0,0,0|2,0,0]=4 254 B7R0.4 CCCCNC(=O)C TS32171 [2,0,0,0,0,0|1,0,0]=3 255 B7R0.4 CCCCNC(=O)N TS04607 [2,0,0,0,0,0|2,0,0]=4 256 B7R0.4 CCCCOC(=O)C TS32218 [2,0,0,0,0,0|1,0,0]=3 257 B7R0.4 CCCCOC(=O)Cl TS16538 [2,0,0,0,0,0|2,0,0]=4 258 B7R0.4 CCCCOC(=O)N TS04660 [2,0,0,0,0,0|2,0,0]=4 259 B7R0.4 CCCCOC(=S)C TS05777 [2,0,0,0,0,0|1,1,0]=4 260 B7R0.4 CCCNCC(=O)O TS04670 [2,0,0,0,0,0|2,0,0]=4 261 B7R0.4 CCCOCC(=O)O TS32314 [2,0,0,0,0,0|2,0,0]=4 262 B7R0.4 CCCSCC(=O)O TS05921 [2,0,0,0,0,0|2,0,0]=4 263 B7R0.4 CCOCCC(=O)C TS04589 [2,0,0,0,0,0|1,0,0]=3 264 B7R0.4 CCOCCC(=O)O TS32325 [2,0,0,0,0,0|2,0,0]=4 265 B7R0.4 CNCCCC(=O)O TS41308 [2,0,0,0,0,0|2,0,0]=4 266 B9R0.5 CCCCCC(CC=C)O TS06739 [1,1,0,0,0,0|0,0,1]=3 267 B9R0.45 C=CCCCCCCC=C TS06323 [1,1,0,0,0,0|0,0,1]=3 268 B9R0.45 C=CCCCCCCCO TS37642 [1,1,0,0,0,0|0,0,1]=3 269 B9R0.45 C=COCCCCOC=C TS06701 [1,1,0,0,0,0|1,0,1]=4 270 B9R0.45 CC=CCCCCC=CC TS06317 [1,1,0,0,0,0|0,0,1]=3 271 B9R0.45 CCC=CCCCCC=O TS06506 [1,1,0,0,0,0|0,0,2]=4 272 B9R0.45 CCCCCCC=CC=O TS37409 [1,1,0,0,0,0|0,0,2]=4 273 B9R0.45 CCCCCCCCC=C TS06521 [1,1,0,0,0,0|0,0,1]=3 274 B9R0.45 CCCCCCCCC=O TS06760 [1,1,0,0,0,0|0,0,2]=4 275 B9R0.45 CCCCCCOCC=C TS06762 [1,1,0,0,0,0|0,0,1]=3 276 B9R0.46 C=CCCCCC(CO)O TS06977 [1,1,0,0,0,0|0,0,2]=4 277 B9R0.46 CCCCCCC(C)C=O TS02438 [1,1,0,0,0,0|0,0,2]=4 278 B9R0.46 CCCCCCC(C=C)O TS06738 [1,1,0,0,0,0|0,0,1]=3 279 B9R0.1 CC(C)CCCC(C)C=C TS06517 [1,1,0,0,0,0|1,0,1]=4 280 B9R0.1 CC(CCOC(=O)C)C=C TS06713 [1,1,0,0,0,0|1,0,0]=3 281 B9R0.1 CCC(C)OCCC(=O)C TS06972 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.4 CC(=O)CC(=O)OCC=C TS06662 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [1,1,0,0,0,0|0,0,2]=4 284 B9R0.4 CCCCC(C)CC(=O)O TS40195 [1,1,0,0,0,0|1,0,1]=4 285 B9R0.4 CCCCC(CC(=O)O)O TS40420 [1,1,0,0,0,0|1,0,1]=4 286 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [1,1,0,0,0,0|1,0,1]=4 287 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [1,1,0,0,0,0|1,0,1]=4 288 B9R0.4 C[C@H](CCC=C)C=C(C)C TS06320 [1,1,0,0,0,0|1,0,1]=4 289 B9R0.38 CCCCCCN(=O)(C)C TS40338 [1,1,0,0,0,0|1,0,1]=4 290 B9R0.38 C[Si](C)(CCCCC=C)Cl TS46211 [1,1,0,0,0,0|1,1,0]=4 291 B9R0.47 C(CCBr)CC(C(=O)O)Br TS74394 [1,1,0,0,0,0|2,0,0]=4 292 B9R0.47 C(CCN)CC(C(=O)O)N TS39859 [1,1,0,0,0,0|2,0,0]=4 293 B9R0.47 C(CCN)CC(C(=O)O)N TS49566 [1,1,0,0,0,0|2,0,0]=4 294 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS01964 [1,1,0,0,0,0|2,0,0]=4 295 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS07239 [1,1,0,0,0,0|2,0,0]=4 296 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS16616 [1,1,0,0,0,0|2,0,0]=4 297 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS20155 [1,1,0,0,0,0|2,0,0]=4 298 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS34096 [1,1,0,0,0,0|2,0,0]=4 299 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS49563 [1,1,0,0,0,0|2,0,0]=4 300 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS54315 [1,1,0,0,0,0|2,0,0]=4 301 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS74520 [1,1,0,0,0,0|2,0,0]=4 302 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS92968 [1,1,0,0,0,0|2,0,0]=4 303 B9R0.47 C(CCN)C[C@H](C(=O)O)N TS07236 [1,1,0,0,0,0|2,0,0]=4 304 B9R0.47 C(CCO)CC(C(=O)O)N TS07321 [1,1,0,0,0,0|2,0,0]=4 305 B9R0.47 C(CCO)C[C@@H](C(=O)O)N TS40513 [1,1,0,0,0,0|2,0,0]=4 306 B9R0.47 C=CCCCC(C(=O)O)N TS06870 [1,1,0,0,0,0|1,0,0]=3 307 B9R0.47 C=CCCC[C@@H](C(=O)O)N TS06866 [1,1,0,0,0,0|1,0,0]=3 308 B9R0.47 C=CCSCC(C(=O)O)N TS11429 [1,1,0,0,0,0|2,0,0]=4 309 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [1,1,0,0,0,0|0,0,2]=4 310 B9R0.47 CCCCCC(C(=O)O)Br TS20690 [1,1,0,0,0,0|1,0,1]=4 311 B9R0.47 CCCCCC(C(=O)O)N TS07110 [1,1,0,0,0,0|1,0,1]=4 312 B9R0.47 CCCCCC(C)C(=O)O TS40214 [1,1,0,0,0,0|1,0,1]=4 313 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [1,1,0,0,0,0|0,0,2]=4 314 B9R0.48 CCCC(C)CCC(=O)C TS37638 [1,1,0,0,0,0|0,0,1]=3 315 B9R0.48 CCCC(C)COC(=O)C TS40203 [1,1,0,0,0,0|1,0,1]=4 316 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl TS15090 [1,1,0,0,0,0|2,0,0]=4 317 B9R0.55 C(CCC(=O)N)CC(=O)N TS40171 [1,1,0,0,0,0|2,0,0]=4 318 B9R0.55 C(CCC(=O)O)CC(=O)O TS39878 [1,1,0,0,0,0|2,0,0]=4 319 B9R0.55 C(CCC(=O)O)CC(=O)O TS44512 [1,1,0,0,0,0|2,0,0]=4 320 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] TS14590 [1,1,0,0,0,0|2,0,0]=4 321 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] TS15269 [1,1,0,0,0,0|2,0,0]=4 322 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] TS51029 [1,1,0,0,0,0|2,0,0]=4 323 B9R0.55 CC(=O)CCCCC(=O)O TS06938 [1,1,0,0,0,0|1,0,0]=3 324 B9R0.55 CC(=O)NCCCC(=O)O TS40285 [1,1,0,0,0,0|2,0,0]=4 325 B9R0.55 CC(C)CCCCC(=O)O TS65177 [1,1,0,0,0,0|1,0,1]=4 326 B9R0.55 CC(C)COCCC(=O)C TS06991 [1,1,0,0,0,0|1,0,1]=4 327 B11R0.6 CC(=O)CC(=O)CCCC(=O)O TS45427 [0,2,0,0,0,0|1,0,1]=4 328 B11R0.30 C(CC(=O)O)CNCCC(=O)O TS13650 [0,2,0,0,0,0|2,0,0]=4 329 B11R0.30 C(CCC(=O)O)CCNC(=N)N TS45637 [0,2,0,0,0,0|2,0,0]=4 330 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl TS43944 [0,2,0,0,0,0|1,0,1]=4 331 B11R0.30 C(CCCC(=O)O)CCC(=O)O TS39921 [0,2,0,0,0,0|1,0,1]=4 332 B11R0.30 CC(=O)NCCCCCC(=O)O TS13338 [0,2,0,0,0,0|1,0,0]=3 333 B11R0.30 CC(=O)OCCCCOC(=O)C TS45757 [0,2,0,0,0,0|1,0,1]=4 334 B11R0.40 CCCCCCCCC(=O)CC TS12886 [0,2,0,0,0,0|0,0,2]=4 335 B11R0.40 CCCCCCCCC(=O)OC TS45510 [0,2,0,0,0,0|0,0,2]=4 336 B11R0.42 C(CCNC=O)C[C@@H](C(=O)O)N TS45777 [0,2,0,0,0,0|2,0,0]=4 337 B11R0.42 CC(=C)C(=O)OCCOCC=C TS12802 [0,2,0,0,0,0|2,0,0]=4 338 B11R0.42 CCCCCCCC(=O)N(C)C TS13053 [0,2,0,0,0,0|0,0,2]=4 339 B11R0.111 CC(C)CCCCCC(=O)OC TS13223 [0,2,0,0,0,0|0,0,2]=4 340 B11R0.148 C=CCCCCCCCC(=O)O TS12845 [0,2,0,0,0,0|1,0,0]=3 341 B11R0.148 CC(=O)OCCCCCCC=C TS12859 [0,2,0,0,0,0|0,0,0]=2 342 B11R0.148 CCCCCCCCCC(=O)C TS45200 [0,2,0,0,0,0|0,0,2]=4 343 B11R0.148 CCCCCCCCOC(=O)C TS45519 [0,2,0,0,0,0|0,0,2]=4 344 B11R0.159 C[Si](C)(CCCCCCC=C)Cl TS38730 [0,2,0,0,0,0|1,1,0]=4 345 B11R0.154 CCCCCC(CC(=O)OC)O TS45807 [0,2,0,0,0,0|0,0,2]=4 346 B11R0.4 CCCCCCCC(=O)OCC TS45501 [0,2,0,0,0,0|0,0,2]=4 347 B11R0.4 CCOC(=O)CCCCCCBr TS26009 [0,2,0,0,0,0|1,0,1]=4 348 B11R0.4 CCOC(=O)CCCCCCN TS20825 [0,2,0,0,0,0|1,0,1]=4 349 B11R0.4 CCOC(=O)CCCCCCN TS45672 [0,2,0,0,0,0|1,0,1]=4 350 B11R0.142 CCCCCCC(C(=O)OC)Br TS26013 [0,2,0,0,0,0|0,0,2]=4 351 B11R0.142 CCCCCCC(C)C(=O)OC TS45513 [0,2,0,0,0,0|0,0,2]=4 352 B11R0.125 CC(C)(CCCCC=C)C(=O)O TS45153 [0,2,0,0,0,0|1,0,0]=3 353 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [1,0,0,1,0,0|2,0,0]=4 354 B9R1.5 CN1CCCCCC1=O TS36239 [1,0,0,1,0,0|1,0,1]=4 355 B9R1.8 C=CCC1CCCCC1 TS05041 [1,0,0,1,0,0|0,0,1]=3 356 B9R1.8 C=CCC1CCCCC1 TS15012 [1,0,0,1,0,0|0,0,1]=3 357 B9R1.8 C=CCN1CCCCC1 TS05115 [1,0,0,1,0,0|1,0,1]=4 358 B9R1.8 C=COC1CCCCC1 TS05195 [1,0,0,1,0,0|1,0,1]=4 359 B9R1.12 C=CCNC1CCCC1 TS05116 [1,0,0,1,0,0|1,0,1]=4 360 B9R1.15 C1CCC(=O)C(=CO)C1 TS36117 [1,0,0,1,0,0|1,0,1]=4 361 B9R1.15 C1CCC(=O)C(C1)C#N TS04966 [1,0,0,1,0,0|1,0,1]=4 362 B9R1.15 C=CN1CCCCC1=O TS36060 [1,0,0,1,0,0|1,0,0]=3 363 B9R1.15 CC=C1CCCCC1=O TS36005 [1,0,0,1,0,0|0,0,2]=4 364 B9R1.15 COC1CCCCC1=O TS05343 [1,0,0,1,0,0|1,0,1]=4 365 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [1,0,0,1,0,0|1,0,1]=4 366 B9R1.15 CSC1CCCCC1=O TS40228 [1,0,0,1,0,0|1,0,1]=4 367 B9R1.50 C1CCCNC(=O)CC1 TS05275 [1,0,0,1,0,0|1,0,1]=4 368 B9R1.50 CC1=CCCCCCC1 TS05043 [1,0,0,1,0,0|0,0,1]=3 369 B9R1.50 CC1CCCCCC=C1 TS05055 [1,0,0,1,0,0|0,0,1]=3 370 B9R1.83 C=CCCCCC1CO1 TS36159 [1,0,0,1,0,0|1,0,0]=3 371 B9R1.89 C1CCCC(CC1)C=O TS05193 [1,0,0,1,0,0|0,0,2]=4 372 B9R1.2 C1CNC(=O)CC1CN TS90526 [1,0,0,1,0,0|2,0,0]=4 373 B9R1.2 C1CNC(=O)CC1CO TS87561 [1,0,0,1,0,0|2,0,0]=4 374 B9R1.2 CCN1CCCC(=O)C1 TS11774 [1,0,0,1,0,0|1,0,1]=4 375 B9R1.2 CCN1CCCC(=O)C1 TS36243 [1,0,0,1,0,0|1,0,1]=4 376 B9R1.6 C1CCC(=CC1)C(=O)O TS05156 [1,0,0,1,0,0|1,0,1]=4 377 B9R1.6 C1CCC(CC1)C(=O)Cl TS07288 [1,0,0,1,0,0|1,0,1]=4 378 B9R1.6 C1CCC(CC1)C(=O)N TS00205 [1,0,0,1,0,0|1,0,1]=4 379 B9R1.6 C1CCC(CC1)C(=O)[O-] TS40838 [1,0,0,1,0,0|1,0,1]=4 380 B9R1.6 C1CCNC(C1)C(=O)N TS59354 [1,0,0,1,0,0|2,0,0]=4 381 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [1,0,0,1,0,0|2,0,0]=4 382 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [1,0,0,1,0,0|2,0,0]=4 383 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [1,0,0,1,0,0|2,0,0]=4 384 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [1,0,0,1,0,0|2,0,0]=4 385 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [1,0,0,1,0,0|2,0,0]=4 386 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [1,0,0,1,0,0|2,0,0]=4 387 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [1,0,0,1,0,0|2,0,0]=4 388 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [1,0,0,1,0,0|2,0,0]=4 389 B9R1.6 CC(=O)C1=CCCCC1 TS36007 [1,0,0,1,0,0|0,0,1]=3 390 B9R1.6 CC(=O)C1CCCCC1 TS05176 [1,0,0,1,0,0|0,0,1]=3 391 B9R1.6 CC(=O)C1CCCCN1 TS59502 [1,0,0,1,0,0|1,0,0]=3 392 B9R1.6 CC(=O)N1CCCCC1 TS05281 [1,0,0,1,0,0|1,0,1]=4 393 B9R1.7 CCCC1CCC(=O)O1 TS36311 [1,0,0,1,0,0|1,0,1]=4 394 B9R1.13 C1CC(C=C1)CC(=O)N TS36067 [1,0,0,1,0,0|1,0,0]=3 395 B9R1.13 C1CCC(C1)CC(=O)Cl TS07289 [1,0,0,1,0,0|1,0,1]=4 396 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [1,0,0,1,0,0|1,0,1]=4 397 B9R1.13 C1C[C@@H](NC1)CC(=O)O TS91258 [1,0,0,1,0,0|2,0,0]=4 398 B9R1.13 C1C[C@H](NC1)CC(=O)O TS36411 [1,0,0,1,0,0|2,0,0]=4 399 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [1,0,0,1,0,0|0,0,0]=2 400 B9R1.13 CC(=O)CC1CCCC1 TS05185 [1,0,0,1,0,0|0,0,1]=3 401 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS36408 [1,0,0,1,0,0|2,0,0]=4 402 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS85102 [1,0,0,1,0,0|2,0,0]=4 403 B9R1.41 C1C[C@H]([C@H](C1)O)C(=O)N TS36404 [1,0,0,1,0,0|2,0,0]=4 404 B9R1.41 CC(=O)C1CCCC1=O TS36123 [1,0,0,1,0,0|1,0,0]=3 405 B9R1.41 CC(=O)C1CCOC1=O TS08258 [1,0,0,1,0,0|2,0,0]=4 406 B9R1.41 CC(=O)N1CCCC1=O TS36228 [1,0,0,1,0,0|2,0,0]=4 407 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [1,0,0,1,0,0|1,0,0]=3 408 B9R1.48 C1CCC(=O)OC(=O)C1 TS36278 [1,0,0,1,0,0|2,0,0]=4 409 B11R1.90 C1CC(=O)N(C1)CCC(=O)O TS10846 [0,1,0,1,0,0|2,0,0]=4 410 B11R1.90 CC(=CCC1CCCC1=O)C TS10223 [0,1,0,1,0,0|2,0,0]=4 411 B11R1.157 CC(=O)OC1=CC(=O)CCC1 TS10416 [0,1,0,1,0,0|1,0,1]=4 412 B11R1.78 CCCCCCC1CC(=O)O1 TS41639 [0,1,0,1,0,0|0,0,2]=4 413 B11R1.86 CC1CCCCC1OC(=O)C TS41647 [0,1,0,1,0,0|0,0,2]=4 414 B11R1.99 C=CCCCCCCC1CO1 TS10487 [0,1,0,1,0,0|0,0,2]=4 415 B11R1.99 C=CCCCCCC[C@@H]1CO1 TS41443 [0,1,0,1,0,0|0,0,2]=4 416 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [0,1,0,1,0,0|0,0,2]=4 417 B11R1.143 CC(=O)N1CCCCCC1=O TS41526 [0,1,0,1,0,0|1,0,0]=3 418 B11R1.193 C=CCN1CCCC1C(=O)O TS51378 [0,1,0,1,0,0|1,0,0]=3 419 B11R1.213 C=CCNC1CCS(=O)(=O)C1 TS13736 [0,1,0,1,0,0|2,0,0]=4 420 B11R1.1 CCCCC1CCC(=O)CC1 TS10476 [0,1,0,1,0,0|0,0,2]=4 421 B11R1.222 CN1CCCCC1C(=O)OC TS41788 [0,1,0,1,0,0|1,0,1]=4 422 B11R1.222 COC(=O)C1=C(CCCC1)N TS41529 [0,1,0,1,0,0|1,0,1]=4 423 B11R1.222 COC(=O)C1CCCCC1=O TS10671 [0,1,0,1,0,0|1,0,0]=3 424 B11R1.222 COC(=O)C1CNCCC1=O TS10850 [0,1,0,1,0,0|2,0,0]=4 425 B11R1.222 COC(=O)C1CNCCC1=O TS16577 [0,1,0,1,0,0|2,0,0]=4 426 B11R1.222 COC(=O)C1CSCCC1=O TS45800 [0,1,0,1,0,0|2,0,0]=4 427 B11R1.228 COC(=O)CN1CCCC1=O TS10848 [0,1,0,1,0,0|2,0,0]=4 428 B11R1.178 C1CC(C(C1)C(=O)O)C(=O)O TS10954 [0,1,0,1,0,0|2,0,0]=4 429 B11R1.178 C1C[C@H]([C@H](C1)C(=O)O)C(=O)O TS29489 [0,1,0,1,0,0|2,0,0]=4 430 B11R1.178 CC(=O)N1CCCC1C(=O)O TS13649 [0,1,0,1,0,0|2,0,0]=4 431 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O TS10838 [0,1,0,1,0,0|2,0,0]=4 432 B11R2.36 C1CC2CC(=O)CCN2C1 TS94460 [0,0,0,2,0,0|1,0,1]=4 433 B11R2.678 C1CC2CC(=O)CC(C1)N2 TS13765 [0,0,0,2,0,0|1,0,1]=4 434 B11R2.202 C1CC2C(C1)C(=O)NC2=O TS06370 [0,0,0,2,0,0|2,0,0]=4 435 B11R2.202 C1CC2C(C1)C(=O)OC2=O TS29490 [0,0,0,2,0,0|2,0,0]=4 436 B11R2.845 C1C2C=CC1N[C@@H]2C(=O)O TS92190 [0,0,0,2,0,0|2,0,0]=4 437 B11R2.845 C1C2C=CC1N[C@H]2C(=O)O TS91867 [0,0,0,2,0,0|2,0,0]=4 438 B11R2.845 C1C2CC(C1C=C2)C(=O)Cl TS41722 [0,0,0,2,0,0|1,0,0]=3 439 B11R2.845 C1C2CC(C1C=C2)C(=O)N TS37124 [0,0,0,2,0,0|1,0,0]=3 440 B11R2.845 C1C2CC(C1C=C2)C(=O)O TS37181 [0,0,0,2,0,0|1,0,0]=3 441 B11R2.845 CC(=O)C1CC2CC1C=C2 TS06095 [0,0,0,2,0,0|0,0,0]=2 442 B11R2.533 CC1([C@@H]2CCC(=C)[C@H]1C2)C TS37053 [0,0,0,2,0,0|1,0,1]=4 443 B11R2.432 CN1[C@@H]2CC[C@H]1CC(=O)C2 TS59478 [0,0,0,2,0,0|1,0,1]=4