0 B9R1.7 CCCC1=NNC(=O)C1 TS36131 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.7 CCCC1CCC(=O)O1 TS36311 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.7 CCCC1OCC(O1)C TS05559 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.7 CCOC1=CC(=O)CC1 TS36121 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.7 CCOC1C=CC(=O)O1 TS36280 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.7 CN1CCC(C1)CCN TS87742 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.7 CN1CCC(C1)CCO TS90139 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.7 COC[C@@H]1COC(=O)O1 TS36637 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.7 COC[C@H]1CNC(=O)O1 TS05647 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.7 COC[C@H]1COC(=O)O1 TS05704 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.1 C1=CC(=O)O[C@@H]1CO TS32034 [1,0,0,0,0,0|1,0,2]=4 11 B8R1.1 C1=CC(=O)O[C@H]1CO TS32043 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.1 C1C(CNC1=O)CN TS85675 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.1 C1C(CNC1=O)CO TS89668 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.1 C1C(OC(=O)N1)CCl TS06020 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.1 C1C(OC(=O)O1)CO TS04697 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.1 C1CC(=O)NC1CN TS32080 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.1 C1CC(=O)N[C@@H]1CBr TS46367 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.1 C1CC(=O)N[C@@H]1CN TS32077 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.1 C1CC(=O)N[C@H]1CBr TS46368 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.1 C1CC(=O)N[C@H]1CN TS32073 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 C=CC1COC(=O)O1 TS32040 [1,0,0,0,0,0|1,0,2]=4 27 B8R1.1 CCC1CCC(=O)C1 TS31941 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.1 CCC1CCC(=O)O1 TS04438 [1,0,0,0,0,0|0,0,0]=1 29 B8R1.8 C1CC(NC1)CCO TS91871 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.8 C1CCC(C1)CCN TS00978 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.8 C1CCC(C1)CCO TS04478 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.8 C1CNCC1CCO TS88089 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.8 C1COC(O1)CCBr TS47043 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.8 C1COC(O1)CCCl TS06134 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.8 C1COC(O1)CCN TS39612 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.8 CCCC1CCCC1 TS31955 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.8 CCCC1CCCC1 TS57165 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.8 CCCC1CCCC1 TS67057 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.8 CCCC1CCCC1 TS69588 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.8 CCCC1CCCC1 TS69915 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.8 CCCC1CCCC1 TS72093 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.8 CCCC1CCCC1 TS72534 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.8 CCCC1CCCC1 TS81524 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.8 CCCC1CCCC1 TS82572 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.8 CCCC1CCCC1 TS82652 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.8 CCCc1ccco1 TS31836 [1,0,0,0,0,0|0,0,3]=4 47 B8R1.8 CCNC1CCNC1 TS04484 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.8 CCN[C@@H]1CCNC1 TS04494 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.8 CCN[C@H]1CCNC1 TS04485 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.8 CCOC1CCCO1 TS04591 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.8 CCO[C@@H]1CCNC1 TS85740 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.8 CCO[C@H]1CCNC1 TS90259 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.8 CNCC1CCCO1 TS32151 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.8 COCC1CCCN1 TS32164 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.8 COCC1CCCO1 TS04584 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.8 COCC1CCNC1 TS87730 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.8 COC[C@@H]1CCCN1 TS32165 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.8 COC[C@@H]1CCNC1 TS91884 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.8 COC[C@H]1CCCN1 TS32345 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.8 COC[C@H]1CCNC1 TS91991 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.14 COC(=O)C1CCC(=O)C1 TS88105 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.14 COC(=O)C1CCC(=O)N1 TS09182 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 TS89880 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 TS01537 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 TS90992 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 TS06831 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.16 CCCCC1CCC(=O)O1 TS37606 [0,1,0,0,0,0|0,0,0]=1 68 B10R1.16 CCCCC1CCC(C1)C TS59743 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.16 CCCC[C@@H]1COC(=O)N1 TS06863 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.16 CCCC[C@H]1COC(=O)N1 TS06854 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 TS40081 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.54 CC(C)C[C@H]1COC(=O)N1 TS06855 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.54 CC1COC(O1)CC(C)C TS06987 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.130 CCCC1C(=O)NC(=O)N1 TS06671 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.1 CCCC(C)CCCO TS36530 [0,0,1,0,0,0|1,0,2]=4 76 B8R0.1 CCCC(C)COC=O TS36501 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.1 CCCCC(C)CCC TS05416 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.1 CCCCC(CCC)Br TS51606 [0,0,1,0,0,0|2,0,1]=4 79 B8R0.1 CCCCC(CCC)Cl TS07522 [0,0,1,0,0,0|2,0,1]=4 80 B8R0.1 CCCCC(CCC)I TS26461 [0,0,1,0,0,0|2,0,1]=4 81 B8R0.1 CCCCC(CCC)O TS36547 [0,0,1,0,0,0|1,0,1]=3 82 B8R0.1 CCOC(=O)CCC=O TS94704 [0,0,1,0,0,0|1,0,2]=4 83 B8R0.5 CC(COC)OC(=O)C TS05714 [0,0,1,0,0,0|1,0,0]=2 84 B8R0.5 CCCC(=CC(=O)O)C TS36312 [0,0,1,0,0,0|2,0,1]=4 85 B8R0.5 CCCC(C)CC(=C)C TS36185 [0,0,1,0,0,0|2,0,0]=3 86 B8R0.5 CCCC(C)CC(=O)C TS05394 [0,0,1,0,0,0|1,0,0]=2 87 B8R0.5 CCCC(C)CC(=O)O TS05545 [0,0,1,0,0,0|2,0,0]=3 88 B8R0.5 CCCC(C)CC(C)C TS05407 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.5 CCCC(C)CC(C)O TS05587 [0,0,1,0,0,0|1,0,2]=4 90 B8R0.5 CCCC(C)OC(=O)C TS05542 [0,0,1,0,0,0|0,0,0]=1 91 B8R0.5 CCCC(C)OC(=S)[S-] TS19468 [0,0,1,0,0,0|1,1,0]=3 92 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.5 CCNC(=CC(=O)C)C TS05283 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.6 CCCC#CC(=O)OC TS05154 [0,0,1,0,0,0|2,0,1]=4 95 B8R0.6 CCCC=CC(=O)OC TS36302 [0,0,1,0,0,0|2,0,1]=4 96 B8R0.6 CCCCCC(=O)C=C TS05201 [0,0,1,0,0,0|1,0,2]=4 97 B8R0.6 CCCCCC(=O)CC TS36343 [0,0,1,0,0,0|1,0,0]=2 98 B8R0.6 CCCCCC(=O)NO TS05662 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.6 CCCCCC(=O)OC TS36499 [0,0,1,0,0,0|2,0,0]=3 100 B8R0.6 CCCCCC(C)CC TS05415 [0,0,1,0,0,0|2,0,1]=4 101 B8R0.6 CCCCCC(CC)Br TS51604 [0,0,1,0,0,0|2,0,1]=4 102 B8R0.6 CCCCCC(CC)Cl TS07523 [0,0,1,0,0,0|2,0,1]=4 103 B8R0.6 CCCCCC(CC)O TS36536 [0,0,1,0,0,0|1,0,2]=4 104 B8R0.6 CCCCNC(=O)C=C TS05274 [0,0,1,0,0,0|1,0,2]=4 105 B8R0.6 CCCCNC(=O)CC TS36435 [0,0,1,0,0,0|1,0,0]=2 106 B8R0.6 CCCCNC(=O)CCl TS40802 [0,0,1,0,0,0|2,0,0]=3 107 B8R0.6 CCCCNC(=O)OC TS36586 [0,0,1,0,0,0|2,0,0]=3 108 B8R0.6 CCCCOC(=O)C#C TS05149 [0,0,1,0,0,0|0,0,2]=3 109 B8R0.6 CCCCOC(=O)C=C TS36291 [0,0,1,0,0,0|0,0,2]=3 110 B8R0.6 CCCCOC(=O)C=O TS36470 [0,0,1,0,0,0|1,0,1]=3 111 B8R0.6 CCCCOC(=O)CC TS05554 [0,0,1,0,0,0|0,0,0]=1 112 B8R0.6 CCCCOC(=O)CCl TS09968 [0,0,1,0,0,0|1,0,0]=2 113 B8R0.6 CCCCOC(=O)CF TS05889 [0,0,1,0,0,0|1,0,0]=2 114 B8R0.6 CCCCOC(=O)CN TS12446 [0,0,1,0,0,0|1,0,0]=2 115 B8R0.6 CCCCOC(=O)CO TS05729 [0,0,1,0,0,0|1,0,0]=2 116 B8R0.6 CCCCOC(=O)CS TS07490 [0,0,1,0,0,0|1,0,0]=2 117 B8R0.6 CCCCOC(=S)S[K] TS50815 [0,0,1,0,0,0|2,1,0]=4 118 B8R0.6 CCSCCC(=O)OC TS07487 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.6 COC(=O)CCCCBr TS51950 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.6 COC(=O)CCCCCl TS09970 [0,0,1,0,0,0|3,0,0]=4 121 B8R0.6 COCCOC(=O)C=C TS05521 [0,0,1,0,0,0|1,0,2]=4 122 B8R0.6 COCCOC(=O)CCl TS10245 [0,0,1,0,0,0|2,0,0]=3 123 B8R0.7 B(CCCCCC)(O)O TS32717 [0,0,1,0,0,0|1,0,1]=3 124 B8R0.7 C#CCCCCC(=O)O TS05162 [0,0,1,0,0,0|0,0,2]=3 125 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [0,0,1,0,0,0|2,0,0]=3 126 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [0,0,1,0,0,0|2,0,0]=3 127 B8R0.7 C(CCC(=O)N)CCBr TS17766 [0,0,1,0,0,0|2,0,0]=3 128 B8R0.7 C(CCC(=O)N)CCN TS93750 [0,0,1,0,0,0|2,0,0]=3 129 B8R0.7 C(CCC(=O)O)CCBr TS55559 [0,0,1,0,0,0|1,0,0]=2 130 B8R0.7 C(CCC(=O)O)CCCl TS09966 [0,0,1,0,0,0|1,0,0]=2 131 B8R0.7 C(CCC(=O)O)CCN TS33197 [0,0,1,0,0,0|1,0,0]=2 132 B8R0.7 C(CCC(=O)O)CCN TS94650 [0,0,1,0,0,0|1,0,0]=2 133 B8R0.7 C(CCC(=O)O)CCO TS55607 [0,0,1,0,0,0|1,0,0]=2 134 B8R0.7 C(CCCl)COC(=O)Cl TS12954 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.7 C(CCON)CC(=O)O TS44444 [0,0,1,0,0,0|2,0,0]=3 136 B8R0.7 C=CCCCCC(=O)O TS36303 [0,0,1,0,0,0|0,0,2]=3 137 B8R0.7 C=CCOCCC(=O)O TS05525 [0,0,1,0,0,0|1,0,2]=4 138 B8R0.7 CC(=O)NCCCCN TS43167 [0,0,1,0,0,0|3,0,0]=4 139 B8R0.7 CC(=O)OCCCCBr TS17993 [0,0,1,0,0,0|3,0,0]=4 140 B8R0.7 CC(=O)OCCCCI TS26787 [0,0,1,0,0,0|3,0,0]=4 141 B8R0.7 CC(=O)OCCCSC TS07491 [0,0,1,0,0,0|3,0,0]=4 142 B8R0.7 CC=CCNCC(=O)O TS36417 [0,0,1,0,0,0|1,0,2]=4 143 B8R0.7 CCCC=CCC(=O)O TS36290 [0,0,1,0,0,0|0,0,2]=3 144 B8R0.7 CCCCC#CC(=O)O TS36120 [0,0,1,0,0,0|0,0,2]=3 145 B8R0.7 CCCCC=CC(=O)C TS05179 [0,0,1,0,0,0|1,0,2]=4 146 B8R0.7 CCCCC=CC(=O)Cl TS07286 [0,0,1,0,0,0|1,0,2]=4 147 B8R0.7 CCCCC=CC(=O)O TS05335 [0,0,1,0,0,0|0,0,2]=3 148 B8R0.7 CCCCCCC(=O)C TS36325 [0,0,1,0,0,0|1,0,0]=2 149 B8R0.7 CCCCCCC(=O)Cl TS07515 [0,0,1,0,0,0|1,0,0]=2 150 B8R0.7 CCCCCCC(=O)N TS36432 [0,0,1,0,0,0|1,0,0]=2 151 B8R0.7 CCCCCCC(=O)O TS05558 [0,0,1,0,0,0|0,0,0]=1 152 B8R0.7 CCCCCCC(=O)[O-] TS10169 [0,0,1,0,0,0|0,0,1]=2 153 B8R0.7 CCCCCCC(C)Br TS51603 [0,0,1,0,0,0|2,0,1]=4 154 B8R0.7 CCCCCCC(C)C TS05423 [0,0,1,0,0,0|2,0,1]=4 155 B8R0.7 CCCCCCC(C)Cl TS07520 [0,0,1,0,0,0|2,0,1]=4 156 B8R0.7 CCCCCCC(C)I TS26460 [0,0,1,0,0,0|2,0,1]=4 157 B8R0.7 CCCCCCC(C)N TS05493 [0,0,1,0,0,0|2,0,1]=4 158 B8R0.7 CCCCCCC(C)O TS05590 [0,0,1,0,0,0|1,0,1]=3 159 B8R0.7 CCCCCCC(C)S TS40477 [0,0,1,0,0,0|1,1,1]=4 160 B8R0.7 CCCCCC[C@@H](C)N TS05497 [0,0,1,0,0,0|2,0,1]=4 161 B8R0.7 CCCCCC[C@@H](C)O TS05598 [0,0,1,0,0,0|1,0,1]=3 162 B8R0.7 CCCCCC[C@H](C)N TS05488 [0,0,1,0,0,0|2,0,1]=4 163 B8R0.7 CCCCCC[C@H](C)O TS46634 [0,0,1,0,0,0|1,0,1]=3 164 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [0,0,1,0,0,0|1,0,1]=3 165 B8R0.7 CCCCCC[SiH](Cl)Cl TS48718 [0,0,1,0,0,0|2,1,0]=4 166 B8R0.7 CCCCCOC(=O)C TS05568 [0,0,1,0,0,0|2,0,0]=3 167 B8R0.7 CCCCCOC(=O)Cl TS59753 [0,0,1,0,0,0|2,0,0]=3 168 B8R0.7 CCCCCON(=O)=O TS05817 [0,0,1,0,0,0|2,0,1]=4 169 B8R0.7 CCCCOCC(=O)O TS05720 [0,0,1,0,0,0|1,0,0]=2 170 B8R0.7 CCCCOCC(C)O TS05758 [0,0,1,0,0,0|2,0,1]=4 171 B8R0.7 CCOCCOC(=O)C TS05728 [0,0,1,0,0,0|3,0,0]=4 172 B8R0.7 CCOCCOC(=O)Cl TS10247 [0,0,1,0,0,0|3,0,0]=4 173 B8R0.7 COCCOCC(=O)O TS08222 [0,0,1,0,0,0|2,0,0]=3 174 B8R0.22 CCC(OCC)OCC TS36694 [0,0,1,0,0,0|2,0,1]=4 175 B8R0.22 CCCC(CC)CCC TS05410 [0,0,1,0,0,0|2,0,1]=4 176 B8R0.22 CCCC(CC=O)SC TS40466 [0,0,1,0,0,0|2,0,0]=3 177 B10R2.2 C1C=CC2C1CC(=O)N2 TS92078 [0,0,0,1,0,0|1,0,2]=4 178 B10R2.2 C1C=C[C@@H]2[C@H]1OC(=O)C2 TS32603 [0,0,0,1,0,0|0,0,2]=3 179 B10R2.2 C1C=C[C@H]2[C@@H]1OC(=O)C2 TS32607 [0,0,0,1,0,0|0,0,2]=3 180 B10R2.2 C1C=C[C@H]2[C@@H]1OC(=O)C2 TS93606 [0,0,0,1,0,0|0,0,2]=3 181 B10R2.32 C1CC(=O)C2C1CNC2 TS42363 [0,0,0,1,0,0|2,0,0]=3 182 B10R2.32 C1CC2C(=O)CCN2C1 TS08530 [0,0,0,1,0,0|2,0,0]=3 183 B10R2.32 C1CN[C@H]2[C@@H]1CNC2=O TS90781 [0,0,0,1,0,0|3,0,0]=4 184 B10R2.99 CCC1CC2CCC1C2 TS05057 [0,0,0,1,0,0|2,0,1]=4 185 B10R2.332 C1C(=O)NCC12COC2 TS90115 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.6 CCCC1CC(=O)N1 TS32013 [0,0,0,0,1,0|1,0,0]=2 187 B10R1.1 C=CCC1CCC(=O)C=C1 TS06092 [0,0,0,0,0,1|1,0,2]=4 188 B10R1.1 CCCC1CCC(=O)CC1 TS06490 [0,0,0,0,0,1|1,0,0]=2 189 B10R1.1 CCCC1CCC(CC1)O TS37640 [0,0,0,0,0,1|1,0,2]=4 190 B10R1.1 CCCN1CCC(=O)CC1 TS40003 [0,0,0,0,0,1|2,0,0]=3 191 B10R1.10 C1CN(CC(=O)N1)CCO TS40172 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.10 CCCC1CCOC(S1)C TS42225 [0,0,0,0,0,1|1,1,1]=4 193 B7R0.1 C(CCC=O)CC=O TS29478 [1,0,1,0,0,0|1,0,1]=4 194 B7R0.1 C(CCCBr)CCO TS59727 [1,0,1,0,0,0|1,0,1]=4 195 B7R0.1 C(CCCCl)CCO TS06143 [1,0,1,0,0,0|1,0,1]=4 196 B7R0.1 C(CCCO)CCN TS39356 [1,0,1,0,0,0|1,0,1]=4 197 B7R0.1 C(CCCO)CCO TS46825 [1,0,1,0,0,0|1,0,1]=4 198 B7R0.1 C(CCCS)CCO TS36872 [1,0,1,0,0,0|1,0,1]=4 199 B7R0.1 C=CCCCCCBr TS59625 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.1 C=CCCCCCCl TS36738 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.1 C=CCCCCCO TS04461 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.1 CCC=CCCC=O TS04313 [1,0,1,0,0,0|0,0,2]=4 203 B7R0.1 CCC=CCCCO TS04463 [1,0,1,0,0,0|2,0,0]=4 204 B7R0.1 CCCCC#CCC TS31859 [1,0,1,0,0,0|1,0,1]=4 205 B7R0.1 CCCCC=CC=O TS04311 [1,0,1,0,0,0|0,0,2]=4 206 B7R0.1 CCCCC=CCC TS04348 [1,0,1,0,0,0|1,0,0]=3 207 B7R0.1 CCCCC=CCC TS31974 [1,0,1,0,0,0|1,0,0]=3 208 B7R0.1 CCCCC=CCO TS32112 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.1 CCCCCC=CC TS31964 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.1 CCCCCCC#C TS31852 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.1 CCCCCCC#N TS31893 [1,0,1,0,0,0|1,0,1]=4 212 B7R0.1 CCCCCCC=O TS32096 [1,0,1,0,0,0|0,0,0]=2 213 B7R0.1 CCCCCCCBr TS00035 [1,0,1,0,0,0|1,0,1]=4 214 B7R0.1 CCCCCCCCl TS36887 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.1 CCCCCCCF TS32353 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.1 CCCCCCCI TS52275 [1,0,1,0,0,0|1,0,1]=4 217 B7R0.1 CCCCCCCN TS04552 [1,0,1,0,0,0|1,0,1]=4 218 B7R0.1 CCCCCCCO TS32232 [1,0,1,0,0,0|0,0,1]=3 219 B7R0.1 CCCCCCCS TS05788 [1,0,1,0,0,0|0,1,1]=4 220 B7R0.1 CCCCCCNC TS04559 [1,0,1,0,0,0|2,0,0]=4 221 B7R0.1 CCCCCCOC TS32254 [1,0,1,0,0,0|2,0,0]=4 222 B7R0.1 CCCCCCSC TS05792 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.1 CCCCCN=C=O TS04390 [1,0,1,0,0,0|1,0,1]=4 224 B7R0.1 CCCCCNCC TS04550 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.1 CCCCCOCC TS32236 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.1 CCCCCON=O TS04662 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.1 CCCCCSCC TS36717 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.1 CCCCNCCC TS04557 [1,0,1,0,0,0|1,0,1]=4 229 B7R0.1 CCCCNCCO TS32289 [1,0,1,0,0,0|1,0,1]=4 230 B7R0.1 CCCCOCC=C TS32094 [1,0,1,0,0,0|2,0,0]=4 231 B7R0.1 CCCCOCCBr TS48031 [1,0,1,0,0,0|1,0,1]=4 232 B7R0.1 CCCCOCCCl TS06142 [1,0,1,0,0,0|1,0,1]=4 233 B7R0.1 CCCCOCCO TS04738 [1,0,1,0,0,0|1,0,1]=4 234 B7R0.1 CCCCSCCC TS05790 [1,0,1,0,0,0|0,1,1]=4 235 B7R0.1 CCCCSCCO TS36874 [1,0,1,0,0,0|1,0,1]=4 236 B7R0.1 CCCCSSCC TS40937 [1,0,1,0,0,0|1,1,0]=4 237 B7R0.1 CCCNCCN=O TS04604 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.1 CCCOCCCN TS32295 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.1 CCNCCCCO TS32294 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.1 CNCCCCC=C TS93899 [1,0,1,0,0,0|2,0,0]=4 241 B7R0.3 CCC(=O)NCCO TS32284 [1,0,1,0,0,0|2,0,0]=4 242 B7R0.3 CCC(=O)OCC#C TS31921 [1,0,1,0,0,0|0,0,2]=4 243 B7R0.3 CCC(=O)OCC=C TS04450 [1,0,1,0,0,0|0,0,2]=4 244 B7R0.3 CCC(C=CC=O)O TS04431 [1,0,1,0,0,0|0,0,2]=4 245 B7R0.3 CCC(CCC=C)O TS32091 [1,0,1,0,0,0|1,0,0]=3 246 B7R0.3 CCCCC(=C)CC TS04366 [1,0,1,0,0,0|1,0,0]=3 247 B7R0.3 CCCCC(=CC)C TS04336 [1,0,1,0,0,0|1,0,1]=4 248 B7R0.3 CCCCC(=O)CC TS04462 [1,0,1,0,0,0|0,0,0]=2 249 B7R0.3 CCCCC(=O)NC TS32169 [1,0,1,0,0,0|1,0,0]=3 250 B7R0.3 CCCCC(=O)NN TS04606 [1,0,1,0,0,0|2,0,0]=4 251 B7R0.3 CCCCC(=O)OC TS32226 [1,0,1,0,0,0|1,0,0]=3 252 B7R0.3 CCCCC(C)CC TS32121 [1,0,1,0,0,0|1,0,1]=4 253 B7R0.3 CCCCC(CC)Br TS14340 [1,0,1,0,0,0|1,0,1]=4 254 B7R0.3 CCCCC(CC)N TS04554 [1,0,1,0,0,0|1,0,1]=4 255 B7R0.3 CCCCC(CC)O TS04628 [1,0,1,0,0,0|0,0,2]=4 256 B7R0.3 CCCOC(=O)C=C TS04429 [1,0,1,0,0,0|0,0,2]=4 257 B7R0.3 CCCOC(=O)CCl TS06137 [1,0,1,0,0,0|1,0,0]=3 258 B7R0.3 CCCOC(=O)CN TS41315 [1,0,1,0,0,0|1,0,0]=3 259 B7R0.3 CCCOC(=O)OC TS32321 [1,0,1,0,0,0|1,0,0]=3 260 B7R0.3 CCCSC(=O)CC TS05773 [1,0,1,0,0,0|0,1,0]=3 261 B7R0.3 COC(=O)CCCBr TS09599 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.3 COC(=O)CCCCl TS06131 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.3 COC(=O)CCCI TS52575 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.3 COC(=O)CCCN TS41316 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.3 COC(=O)CCSC TS05919 [1,0,1,0,0,0|2,0,0]=4 266 B7R0.3 COCCC(=O)OC TS32322 [1,0,1,0,0,0|2,0,0]=4 267 B7R0.7 CCCC(C)CC=C TS31971 [1,0,1,0,0,0|1,0,1]=4 268 B7R0.7 CCCC(C)CCC TS04512 [1,0,1,0,0,0|1,0,1]=4 269 B7R0.7 CCCC(C)CCO TS32249 [1,0,1,0,0,0|1,0,1]=4 270 B7R0.7 CCCC(C)OCC TS32250 [1,0,1,0,0,0|0,0,1]=3 271 B7R0.7 CCCC(C=CC)O TS04465 [1,0,1,0,0,0|1,0,1]=4 272 B7R0.7 CCCC(CC=C)O TS04466 [1,0,1,0,0,0|0,0,1]=3 273 B7R0.7 CCCC(CCC)Br TS14339 [1,0,1,0,0,0|1,0,1]=4 274 B7R0.7 CCCC(CCC)Cl TS36889 [1,0,1,0,0,0|1,0,1]=4 275 B7R0.7 CCCC(CCC)N TS02992 [1,0,1,0,0,0|1,0,1]=4 276 B7R0.7 CCCC(CCC)O TS04625 [1,0,1,0,0,0|0,0,1]=3 277 B7R0.7 CCCC(CCC)[Zn+] TS62077 [1,0,1,0,0,0|1,0,1]=4 278 B7R0.7 CCCC(CCO)S TS36876 [1,0,1,0,0,0|0,1,1]=4 279 B7R0.7 CCC[C@@H](C)CCO TS32231 [1,0,1,0,0,0|1,0,1]=4 280 B7R0.7 CCOC(C)OCC TS04742 [1,0,1,0,0,0|1,0,1]=4 281 B7R0.2 CC(=O)OC(CBr)Br TS27398 [1,0,1,0,0,0|2,0,0]=4 282 B7R0.2 CCC(C)CC(=C)C TS04345 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.2 CCC(C)CC(=O)C TS04467 [1,0,1,0,0,0|1,0,0]=3 284 B7R0.2 CCC(C)CC(=O)Cl TS05950 [1,0,1,0,0,0|2,0,0]=4 285 B7R0.2 CCC(C)CC(=O)O TS04597 [1,0,1,0,0,0|2,0,0]=4 286 B7R0.2 CCC(C)NC(=O)N TS04603 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.2 CCC(C)OC(=O)C TS32210 [1,0,1,0,0,0|0,0,0]=2 288 B7R0.2 CCC(C)OC(=O)Cl TS06133 [1,0,1,0,0,0|1,0,0]=3 289 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [1,0,1,0,0,0|2,0,0]=4 290 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.4 B(CCCCC)(O)O TS01615 [1,0,1,0,0,0|1,0,1]=4 292 B7R0.4 C(CC(=O)O)CON TS18930 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [1,0,1,0,0,0|2,0,0]=4 294 B7R0.4 C(CCBr)CC(=O)O TS14721 [1,0,1,0,0,0|1,0,0]=3 295 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [1,0,1,0,0,0|2,0,0]=4 296 B7R0.4 C(CCCl)CC(=O)O TS06138 [1,0,1,0,0,0|1,0,0]=3 297 B7R0.4 C(CCN)CC(=O)O TS04661 [1,0,1,0,0,0|1,0,0]=3 298 B7R0.4 C(CCN)CC(=O)O TS41314 [1,0,1,0,0,0|1,0,0]=3 299 B7R0.4 C(CCl)OCC(=O)O TS37248 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.4 C(CNCC(=O)O)N TS32336 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.4 C(COC(=O)Cl)CCl TS93963 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.4 C=CCCCC(=O)O TS04449 [1,0,1,0,0,0|0,0,2]=4 303 B7R0.4 CC#CCOC(=O)C TS31919 [1,0,1,0,0,0|0,0,2]=4 304 B7R0.4 CC(=O)CCCCBr TS47671 [1,0,1,0,0,0|2,0,0]=4 305 B7R0.4 CC(=O)CCCCCl TS05947 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.4 CC(=O)OCCC#C TS31899 [1,0,1,0,0,0|0,0,2]=4 307 B7R0.4 CC(=O)OCCC=C TS04442 [1,0,1,0,0,0|0,0,2]=4 308 B7R0.4 CC(=O)OCCCCl TS06130 [1,0,1,0,0,0|1,0,0]=3 309 B7R0.4 CC(=O)OCCOC TS32328 [1,0,1,0,0,0|1,0,0]=3 310 B7R0.4 CCC=CCC(=O)O TS04425 [1,0,1,0,0,0|0,0,2]=4 311 B7R0.4 CCCC#CC(=O)C TS31834 [1,0,1,0,0,0|1,0,1]=4 312 B7R0.4 CCCC#CC(=O)O TS31912 [1,0,1,0,0,0|0,0,2]=4 313 B7R0.4 CCCC=CC(=O)C TS31936 [1,0,1,0,0,0|1,0,1]=4 314 B7R0.4 CCCC=CC(=O)O TS59547 [1,0,1,0,0,0|0,0,2]=4 315 B7R0.4 CCCCC=C(C)C TS04347 [1,0,1,0,0,0|2,0,0]=4 316 B7R0.4 CCCCCC(=C)C TS04340 [1,0,1,0,0,0|2,0,0]=4 317 B7R0.4 CCCCCC(=O)C TS32098 [1,0,1,0,0,0|1,0,0]=3 318 B7R0.4 CCCCCC(=O)Cl TS05948 [1,0,1,0,0,0|1,0,0]=3 319 B7R0.4 CCCCCC(=O)N TS32152 [1,0,1,0,0,0|1,0,0]=3 320 B7R0.4 CCCCCC(=O)O TS32204 [1,0,1,0,0,0|0,0,0]=2 321 B7R0.4 CCCCCC(=O)[O-] TS37174 [1,0,1,0,0,0|0,0,1]=3 322 B7R0.4 CCCCCC(=O)[O-] TS58596 [1,0,1,0,0,0|0,0,1]=3 323 B7R0.4 CCCCCC(C)O TS32255 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.4 CCCCC[C@@H](C)O TS04622 [1,0,1,0,0,0|1,0,1]=4 325 B7R0.4 CCCCC[C@H](C)O TS32248 [1,0,1,0,0,0|1,0,1]=4 326 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [1,0,1,0,0,0|1,0,1]=4 327 B7R0.4 CCCCNC(=O)C TS32171 [1,0,1,0,0,0|1,0,0]=3 328 B7R0.4 CCCCNC(=O)N TS04607 [1,0,1,0,0,0|2,0,0]=4 329 B7R0.4 CCCCOC(=O)C TS32218 [1,0,1,0,0,0|0,0,0]=2 330 B7R0.4 CCCCOC(=O)Cl TS16538 [1,0,1,0,0,0|1,0,0]=3 331 B7R0.4 CCCCOC(=O)N TS04660 [1,0,1,0,0,0|1,0,0]=3 332 B7R0.4 CCCCOC(=S)C TS05777 [1,0,1,0,0,0|0,1,0]=3 333 B7R0.4 CCCCON(=O)=O TS32384 [1,0,1,0,0,0|2,0,0]=4 334 B7R0.4 CCCNCC(=O)O TS04670 [1,0,1,0,0,0|1,0,0]=3 335 B7R0.4 CCCOCC(=O)O TS32314 [1,0,1,0,0,0|1,0,0]=3 336 B7R0.4 CCCSCC(=O)O TS05921 [1,0,1,0,0,0|1,0,0]=3 337 B7R0.4 CCOCCC(=O)C TS04589 [1,0,1,0,0,0|2,0,0]=4 338 B7R0.4 CCOCCC(=O)O TS32325 [1,0,1,0,0,0|1,0,0]=3 339 B7R0.4 CNCCCC(=O)O TS41308 [1,0,1,0,0,0|1,0,0]=3 340 B7R0.4 COCCOC(=O)Cl TS37247 [1,0,1,0,0,0|2,0,0]=4 341 B7R0.12 CCC(CC)OC=O TS32223 [1,0,1,0,0,0|0,0,0]=2 342 B7R0.12 CCCC(CC)CC TS04503 [1,0,1,0,0,0|1,0,1]=4 343 B7R0.12 CCCC(CC)CO TS32241 [1,0,1,0,0,0|0,0,2]=4 344 B7R1.1 C1CC(OC1)CBr TS42845 [2,0,0,0,0,0|1,0,1]=4 345 B7R1.1 C1CC(OC1)CCl TS32449 [2,0,0,0,0,0|1,0,1]=4 346 B7R1.1 C1CC(OC1)CN TS39685 [2,0,0,0,0,0|1,0,1]=4 347 B7R1.1 C1CC(OC1)CO TS59435 [2,0,0,0,0,0|1,0,1]=4 348 B7R1.1 C1C[C@@H](OC1)CN TS08645 [2,0,0,0,0,0|1,0,1]=4 349 B7R1.1 C1C[C@H](OC1)CN TS07684 [2,0,0,0,0,0|1,0,1]=4 350 B7R1.1 C1C[C@H](OC1)CO TS03948 [2,0,0,0,0,0|1,0,1]=4 351 B7R1.1 CCC1CCC=C1 TS03720 [2,0,0,0,0,0|1,0,0]=3 352 B7R1.1 CCC1CCCC1 TS21020 [2,0,0,0,0,0|1,0,1]=4 353 B7R1.1 CCC1CCCC1 TS21612 [2,0,0,0,0,0|1,0,1]=4 354 B7R1.1 CCC1CCCC1 TS35071 [2,0,0,0,0,0|1,0,1]=4 355 B7R1.1 CCC1CCCC1 TS57108 [2,0,0,0,0,0|1,0,1]=4 356 B7R1.1 CCC1CCCC1 TS57519 [2,0,0,0,0,0|1,0,1]=4 357 B7R1.1 CCC1CCCC1 TS62096 [2,0,0,0,0,0|1,0,1]=4 358 B7R1.1 CCC1CCCC1 TS70230 [2,0,0,0,0,0|1,0,1]=4 359 B7R1.1 CCC1CCCC1 TS70344 [2,0,0,0,0,0|1,0,1]=4 360 B7R1.1 CCC1CCCC1 TS75798 [2,0,0,0,0,0|1,0,1]=4 361 B7R1.1 CCC1CCCC1 TS78923 [2,0,0,0,0,0|1,0,1]=4 362 B7R1.1 CCC1CCCC1 TS80049 [2,0,0,0,0,0|1,0,1]=4 363 B7R1.1 CCC1OCCO1 TS03937 [2,0,0,0,0,0|1,0,1]=4 364 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [2,0,0,0,0,0|2,0,0]=4 365 B7R1.2 C1C(OC(=O)O1)F TS31724 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.2 C1CC(=O)OC1=O TS31489 [2,0,0,0,0,0|1,0,1]=4 367 B7R1.2 C=C1CCC(=O)O1 TS03758 [2,0,0,0,0,0|0,0,2]=4 368 B7R1.2 CC1=CC(=O)CC1 TS60019 [2,0,0,0,0,0|1,0,1]=4 369 B7R1.2 CC1=CCC(=O)O1 TS03764 [2,0,0,0,0,0|0,0,2]=4 370 B7R1.2 CC1CCC(O1)C TS47281 [2,0,0,0,0,0|1,0,1]=4 371 B7R1.2 CC1COC(=O)O1 TS08062 [2,0,0,0,0,0|1,0,0]=3 372 B7R1.2 CC1COC(=O)O1 TS93060 [2,0,0,0,0,0|1,0,0]=3 373 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [2,0,0,0,0,0|0,0,0]=2 374 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [2,0,0,0,0,0|2,0,0]=4 376 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [2,0,0,0,0,0|1,0,0]=3 377 B9R0.4 CCCCC(CC(C)C)O TS40246 [0,1,1,0,0,0|1,0,1]=4 378 B9R0.5 CCCCCC(CCC)O TS40239 [0,1,1,0,0,0|1,0,1]=4 379 B9R0.8 CCCCC(C(C)CC)O TS07019 [0,1,1,0,0,0|1,0,1]=4 380 B9R0.18 CCCCC(CCCC)O TS40240 [0,1,1,0,0,0|1,0,1]=4 381 B9R0.35 CCCC(C)C(CCC)O TS07017 [0,1,1,0,0,0|1,0,1]=4 382 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [0,1,1,0,0,0|0,0,2]=4 383 B9R0.48 CCCC(C)CCC(=O)C TS37638 [0,1,1,0,0,0|1,0,0]=3 384 B9R0.48 CCCC(C)COC(=O)C TS40203 [0,1,1,0,0,0|2,0,0]=4 385 B9R0.66 CCCCC(C)(CCC)O TS07022 [0,1,1,0,0,0|1,0,1]=4 386 B9R0.14 CCCC(C=C)OC(=O)C TS06697 [0,1,1,0,0,0|0,0,1]=3 387 B9R0.14 CCCC(CC)CC(=O)O TS40205 [0,1,1,0,0,0|2,0,0]=4 388 B9R0.53 CC(C)CC(C)CC(=O)C TS37641 [0,1,1,0,0,0|1,0,0]=3 389 B9R0.53 CC(C)OC(C)NC(=O)C TS40319 [0,1,1,0,0,0|2,0,0]=4 390 B9R0.53 CC(OC(=O)C)OC(=O)C TS07164 [0,1,1,0,0,0|1,0,1]=4 391 B9R0.58 CC(=O)OC(C)(C)CC=C TS06692 [0,1,1,0,0,0|0,0,2]=4 392 B9R0.58 CCCC(C)(C)CC(=O)O TS06985 [0,1,1,0,0,0|2,0,0]=4 393 B9R0.58 CCCC(C)(CC(=O)O)O TS40424 [0,1,1,0,0,0|2,0,0]=4 394 B9R0.1 CC(C)CCCC(=O)OC TS06994 [0,1,1,0,0,0|2,0,0]=4 395 B9R0.1 CC(C)CCOC(=O)CS TS11612 [0,1,1,0,0,0|1,0,0]=3 396 B9R0.1 CCC(=O)OCCC(C)C TS06990 [0,1,1,0,0,0|0,0,0]=2 397 B9R0.24 C(C(COC(=O)CS)O)O TS43089 [0,1,1,0,0,0|2,0,0]=4 398 B9R0.24 CCC(C)COC(=O)CC TS40204 [0,1,1,0,0,0|0,0,0]=2 399 B9R0.46 CCCCC#CC(=O)OC TS06464 [0,1,1,0,0,0|2,0,0]=4 400 B9R0.46 CCCCCCC(=O)CC TS06757 [0,1,1,0,0,0|1,0,0]=3 401 B9R0.46 CCCCCCC(=O)OC TS06976 [0,1,1,0,0,0|2,0,0]=4 402 B9R0.46 CCCCCOC(=O)C=C TS06719 [0,1,1,0,0,0|0,0,2]=4 403 B9R0.46 CCCCCOC(=O)CC TS06970 [0,1,1,0,0,0|0,0,0]=2 404 B9R0.46 CCCCCOC(=O)CN TS48166 [0,1,1,0,0,0|1,0,0]=3 405 B9R0.46 CCOCCOC(=O)C=C TS33054 [0,1,1,0,0,0|0,0,2]=4 406 B9R0.46 CCOCCOC(=O)CCl TS65037 [0,1,1,0,0,0|1,0,0]=3 407 B9R0.46 COC(=O)CCCCCBr TS20689 [0,1,1,0,0,0|2,0,0]=4 408 B9R0.46 COC(=O)CCCCCN TS48164 [0,1,1,0,0,0|2,0,0]=4 409 B9R0.46 COC(=O)CCCCCO TS40427 [0,1,1,0,0,0|2,0,0]=4 410 B9R0.47 CC(=C)C(=O)OCCOC TS06936 [0,1,1,0,0,0|1,0,1]=4 411 B9R0.47 CC(=C)C(=O)OCCSC TS11295 [0,1,1,0,0,0|1,0,1]=4 412 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [0,1,1,0,0,0|1,0,1]=4 413 B9R0.47 CCCCCC(=O)C(C)C TS37635 [0,1,1,0,0,0|1,0,0]=3 414 B9R0.47 CCCCCC(=O)N(C)C TS40099 [0,1,1,0,0,0|2,0,0]=4 415 B9R0.47 CCCCNC(=O)C(=C)C TS64944 [0,1,1,0,0,0|1,0,1]=4 416 B9R0.47 CCCCNC(=O)N(C)C TS06999 [0,1,1,0,0,0|2,0,0]=4 417 B9R0.47 CCCCOC(=O)C(=C)C TS37597 [0,1,1,0,0,0|0,0,1]=3 418 B9R0.47 CCCCOC(=O)C(=C)F TS40404 [0,1,1,0,0,0|0,0,2]=4 419 B9R0.47 CCCCOC(=O)C(=O)C TS06949 [0,1,1,0,0,0|0,0,1]=3 420 B9R0.47 CCCCOC(=O)C(=O)N TS40299 [0,1,1,0,0,0|1,0,1]=4 421 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,1,1,0,0,0|0,0,0]=2 422 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,1,1,0,0,0|0,0,0]=2 423 B9R0.47 CCCCOC(=O)C(F)Cl TS44945 [0,1,1,0,0,0|1,0,0]=3 424 B9R0.47 CCCCOC(=O)C(F)F TS41099 [0,1,1,0,0,0|1,0,0]=3 425 B9R0.50 CCCCC=C(CC)CC TS06523 [0,1,1,0,0,0|2,0,0]=4 426 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [0,1,1,0,0,0|1,0,0]=3 427 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [0,1,1,0,0,0|0,0,0]=2 428 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [0,1,1,0,0,0|0,0,0]=2 429 B9R0.2 C(CCCN)CCC(=O)O TS48161 [0,1,1,0,0,0|0,0,0]=2 430 B9R0.2 C(CCCN)CCC(=O)O TS59742 [0,1,1,0,0,0|0,0,0]=2 431 B9R0.2 C(CCCO)CCC(=O)O TS55677 [0,1,1,0,0,0|0,0,0]=2 432 B9R0.2 CC(=O)OCCCCCBr TS20687 [0,1,1,0,0,0|2,0,0]=4 433 B9R0.2 CC(=O)OCCCCCCl TS11956 [0,1,1,0,0,0|2,0,0]=4 434 B9R0.2 CCCCC=CCC(=O)O TS37609 [0,1,1,0,0,0|0,0,1]=3 435 B9R0.2 CCCCCC#CC(=O)O TS37382 [0,1,1,0,0,0|0,0,1]=3 436 B9R0.2 CCCCCC=CC(=O)O TS06694 [0,1,1,0,0,0|0,0,1]=3 437 B9R0.2 CCCCCCCC(=C)C TS06520 [0,1,1,0,0,0|2,0,0]=4 438 B9R0.2 CCCCCCCC(=O)C TS06758 [0,1,1,0,0,0|1,0,0]=3 439 B9R0.2 CCCCCCCC(=O)Cl TS11637 [0,1,1,0,0,0|1,0,0]=3 440 B9R0.2 CCCCCCCC(=O)N TS40110 [0,1,1,0,0,0|1,0,0]=3 441 B9R0.2 CCCCCCCC(=O)O TS40219 [0,1,1,0,0,0|0,0,0]=2 442 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [0,1,1,0,0,0|0,0,1]=3 443 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [0,1,1,0,0,0|0,0,1]=3 444 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [0,1,1,0,0,0|0,0,1]=3 445 B9R0.2 CCCCCCNC(=S)N TS11310 [0,1,1,0,0,0|1,1,0]=4 446 B9R0.2 CCCCCCOC(=O)C TS40201 [0,1,1,0,0,0|1,0,0]=3 447 B9R0.2 CCCCCCOC(=O)Cl TS11953 [0,1,1,0,0,0|1,0,0]=3 448 B9R0.2 CCCCCCOC(=S)[S-] TS49163 [0,1,1,0,0,0|0,2,0]=4 449 B9R0.2 CCCCNCCC(=O)N TS07002 [0,1,1,0,0,0|1,0,0]=3 450 B9R0.2 CCCCNCCC(=O)O TS40320 [0,1,1,0,0,0|0,0,0]=2 451 B9R0.38 CCCCCCC(C)(C)O TS40249 [0,1,1,0,0,0|1,0,1]=4 452 B9R0.38 CCCCCCN(=O)(C)C TS40338 [0,1,1,0,0,0|2,0,0]=4 453 B9R0.38 CCCCCCP(=O)(Cl)Cl TS38379 [0,1,1,0,0,0|2,0,0]=4 454 B9R0.38 CCCCCCP(=O)(O)O TS43019 [0,1,1,0,0,0|1,0,0]=3 455 B9R0.38 CCCCCCS(=O)(=O)Cl TS64995 [0,1,1,0,0,0|1,0,1]=4 456 B9R0.38 CCCCCCS(=O)(=O)[O-] TS50731 [0,1,1,0,0,0|1,0,1]=4 457 B9R0.55 C(CCC(=O)O)CC(=O)O TS39878 [0,1,1,0,0,0|1,0,1]=4 458 B9R0.55 C(CCC(=O)O)CC(=O)O TS44512 [0,1,1,0,0,0|1,0,1]=4 459 B9R0.55 CC(=O)CCCCC(=O)O TS06938 [0,1,1,0,0,0|0,0,1]=3 460 B9R0.55 CC(=O)NCCCC(=O)O TS40285 [0,1,1,0,0,0|1,0,1]=4 461 B9R0.55 CC(C)CCCCC(=O)O TS65177 [0,1,1,0,0,0|0,0,0]=2 462 B9R0.55 CC(C)COCCC(=O)C TS06991 [0,1,1,0,0,0|2,0,0]=4 463 B9R0.55 CN(C)CCCCC(=O)O TS48163 [0,1,1,0,0,0|1,0,0]=3 464 B9R0.17 CCCC(OCC)OCC TS07252 [0,1,1,0,0,0|1,0,1]=4 465 B9R1.21 CCC1CCC(O1)CC TS36341 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.23 CN1C[C@@H](OC1=O)CO TS05636 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.35 C1CC(=O)O[C@@H]1C(=O)O TS59548 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.35 CC(=O)C1CCC(=O)O1 TS36267 [1,1,0,0,0,0|0,0,1]=3 469 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TS46612 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.35 CC(C)[C@H]1COC(=O)N1 TS08657 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.132 CCC1=C(C(=O)CC1)O TS05152 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.12 C1COC(O1)CCCCl TS09964 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.12 CCCCC1CCCC1 TS36178 [1,1,0,0,0,0|1,0,1]=4 474 B9R1.12 CCCCC1CCCC1 TS61460 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.12 CCCCC1CCCC1 TS66426 [1,1,0,0,0,0|1,0,1]=4 476 B9R1.12 CCCCC1CCCC1 TS71915 [1,1,0,0,0,0|1,0,1]=4 477 B9R1.12 CCCCC1CCCC1 TS81233 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.12 CCCCC1CCCC1 TS81832 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.12 CCCCC1CCCC1 TS83585 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.12 CCOCC1CCCO1 TS36503 [1,1,0,0,0,0|0,0,1]=3 481 B9R1.12 CNCCC1OCCO1 TS05654 [1,1,0,0,0,0|1,0,1]=4 482 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.13 CC(C)CC1CCCC1 TS05219 [1,1,0,0,0,0|1,0,1]=4 484 B9R1.13 CC(C)CC1CCCC1 TS81235 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.134 CCCC1(CCCC1)O TS36336 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.1 CCCCC1CCC(=O)CC1 TS10476 [0,1,0,0,0,1|1,0,0]=3 487 B11R1.1 CCCCN1CCC(=O)CC1 TS10602 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.20 CC(C)CN1CCC(=O)CC1 TS10603 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.22 CCC(C)N1CCC(=O)CC1 TS10601 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.24 CCCCC1CCCC(=O)O1 TS10721 [0,1,0,0,0,1|0,0,0]=2 491 B11R1.34 CCCC1CC(=CC(=O)C1)C TS10226 [0,1,0,0,0,1|1,0,1]=4 492 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 TS56212 [0,2,0,0,0,0|1,0,1]=4 493 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)O1 TS10952 [0,2,0,0,0,0|0,0,1]=3 494 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 TS10837 [0,2,0,0,0,0|1,0,1]=4 495 B11R1.27 CC=COCC1COC(=O)O1 TS10943 [0,2,0,0,0,0|1,0,1]=4 496 B11R1.230 CCCCC1C(CC(=O)O1)C TS41641 [0,2,0,0,0,0|0,0,0]=2 497 B9R1.2 C1CNC(CC1C=O)Br TS51394 [0,0,1,1,0,0|2,0,0]=4 498 B9R1.8 CCCC1CCCCO1 TS05388 [0,0,1,1,0,0|1,0,1]=4 499 B9R1.8 CCOC1CCC=CO1 TS36292 [0,0,1,1,0,0|2,0,0]=4 500 B9R1.27 CCC1C(=O)CCC1=O TS36119 [0,0,1,1,0,0|0,0,2]=4 501 B9R1.27 CCC1C(CNC1=O)C TS36242 [0,0,1,1,0,0|2,0,0]=4 502 B9R1.49 CN1CCCC(CC1)O TS36433 [0,0,1,1,0,0|2,0,0]=4 503 B9R1.69 CC1CCC(=O)N(C1)C TS36241 [0,0,1,1,0,0|2,0,0]=4 504 B9R1.69 CC1CN(CCC1=O)C TS00372 [0,0,1,1,0,0|2,0,0]=4 505 B9R1.69 CN1CC(CCC1=O)N TS86285 [0,0,1,1,0,0|2,0,0]=4 506 B9R1.34 CC1CC(=CC(=O)C1)C TS36008 [0,0,1,1,0,0|1,0,1]=4 507 B9R1.34 CC1CC(=O)CC(O1)C TS05346 [0,0,1,1,0,0|2,0,0]=4 508 B9R1.34 CC1CC(=O)OC(=O)C1 TS36277 [0,0,1,1,0,0|1,0,1]=4 509 B9R1.34 CC1CC(CC(=O)C1)C TS22764 [0,0,1,1,0,0|1,0,0]=3 510 B9R1.34 C[C@@H]1C[C@@H](CC(=O)C1)C TS36153 [0,0,1,1,0,0|1,0,0]=3 511 B9R1.137 CC(C1CC1)OC(=O)C TS36309 [0,0,1,1,0,0|0,0,0]=2 512 B9R1.1 CCC1CCC(=O)CC1 TS71106 [0,0,1,1,0,0|1,0,0]=3 513 B9R1.1 CCN1CCC(=O)CC1 TS00437 [0,0,1,1,0,0|2,0,0]=4 514 B9R1.1 COC1CCC(=O)CC1 TS05347 [0,0,1,1,0,0|2,0,0]=4 515 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,0,1,1,0,0|2,0,0]=4 516 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,0,1,1,0,0|2,0,0]=4 517 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,0,1,1,0,0|2,0,0]=4 518 B9R1.5 CN1CCCCCC1=O TS36239 [0,0,1,1,0,0|2,0,0]=4 519 B9R1.79 C1CC(C1)NC(=O)CN TS08961 [0,0,1,1,0,0|2,0,0]=4 520 B9R1.79 COC(=O)CC1CCC1 TS36295 [0,0,1,1,0,0|2,0,0]=4 521 B9R1.6 B(C1CCCCC1)(O)O TS85497 [0,0,1,1,0,0|1,0,1]=4 522 B9R1.6 C1CC(CC=C1)C(=O)O TS02731 [0,0,1,1,0,0|0,0,2]=4 523 B9R1.6 C1CC(CNC1)C(=O)N TS05362 [0,0,1,1,0,0|2,0,0]=4 524 B9R1.6 C1CC(CNC1)C(=O)N TS11963 [0,0,1,1,0,0|2,0,0]=4 525 B9R1.6 C1CC(CNC1)C(=O)O TS05456 [0,0,1,1,0,0|1,0,0]=3 526 B9R1.6 C1CC(CNC1)C(=O)O TS94707 [0,0,1,1,0,0|1,0,0]=3 527 B9R1.6 C1CC(COC1)C(=O)O TS02098 [0,0,1,1,0,0|1,0,0]=3 528 B9R1.6 C1CC(CSC1)C(=O)O TS91315 [0,0,1,1,0,0|1,0,0]=3 529 B9R1.6 C1CC(NNC1)C(=O)O TS36476 [0,0,1,1,0,0|2,0,0]=4 530 B9R1.6 C1CCC(=CC1)C(=O)O TS05156 [0,0,1,1,0,0|0,0,2]=4 531 B9R1.6 C1CCC(CC1)C(=O)Cl TS07288 [0,0,1,1,0,0|1,0,0]=3 532 B9R1.6 C1CCC(CC1)C(=O)N TS00205 [0,0,1,1,0,0|1,0,0]=3 533 B9R1.6 C1CCC(CC1)C(=O)[O-] TS40838 [0,0,1,1,0,0|0,0,1]=3 534 B9R1.6 C1CCC(CC1)[N+](=O)[O-] TS56408 [0,0,1,1,0,0|1,0,1]=4 535 B9R1.6 C1CCN(CC1)C(=O)Cl TS07390 [0,0,1,1,0,0|2,0,0]=4 536 B9R1.6 C1CCN(CC1)C(=O)O TS05459 [0,0,1,1,0,0|1,0,0]=3 537 B9R1.6 C1CCNC(C1)C(=O)N TS59354 [0,0,1,1,0,0|2,0,0]=4 538 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [0,0,1,1,0,0|1,0,0]=3 539 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [0,0,1,1,0,0|1,0,0]=3 540 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [0,0,1,1,0,0|1,0,0]=3 541 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [0,0,1,1,0,0|1,0,0]=3 542 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [0,0,1,1,0,0|1,0,0]=3 543 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [0,0,1,1,0,0|1,0,0]=3 544 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [0,0,1,1,0,0|1,0,0]=3 545 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [0,0,1,1,0,0|1,0,0]=3 546 B9R1.6 C1CNC(CN1)C(=O)O TS02457 [0,0,1,1,0,0|2,0,0]=4 547 B9R1.6 C1CNCCC1C(=O)N TS59356 [0,0,1,1,0,0|2,0,0]=4 548 B9R1.6 C1CNCCC1C(=O)O TS42979 [0,0,1,1,0,0|1,0,0]=3 549 B9R1.6 C1CNCCC1C(=O)O TS71280 [0,0,1,1,0,0|1,0,0]=3 550 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS08013 [0,0,1,1,0,0|2,0,0]=4 551 B9R1.6 C1CN[C@@H](CN1)C(=O)O TS60186 [0,0,1,1,0,0|2,0,0]=4 552 B9R1.6 C1CN[C@H](CN1)C(=O)O TS88452 [0,0,1,1,0,0|2,0,0]=4 553 B9R1.6 C1COC(CN1)C(=O)O TS56326 [0,0,1,1,0,0|2,0,0]=4 554 B9R1.6 C1COC(CO1)C(=O)O TS36638 [0,0,1,1,0,0|2,0,0]=4 555 B9R1.6 C1COCC(N1)C(=O)O TS86226 [0,0,1,1,0,0|2,0,0]=4 556 B9R1.6 C1COCCC1C(=O)Cl TS59428 [0,0,1,1,0,0|2,0,0]=4 557 B9R1.6 C1COCCC1C(=O)O TS05526 [0,0,1,1,0,0|1,0,0]=3 558 B9R1.6 C1COC[C@@H](N1)C(=O)O TS88818 [0,0,1,1,0,0|2,0,0]=4 559 B9R1.6 C1COC[C@H](N1)C(=O)O TS90682 [0,0,1,1,0,0|2,0,0]=4 560 B9R1.6 C1CO[C@@H](CN1)C(=O)O TS00324 [0,0,1,1,0,0|2,0,0]=4 561 B9R1.6 C1CSC(SC1)C(=O)O TS11925 [0,0,1,1,0,0|2,0,0]=4 562 B9R1.6 C1CSCC(N1)C(=O)O TS07364 [0,0,1,1,0,0|2,0,0]=4 563 B9R1.6 C1CSCC(N1)C(=O)O TS15194 [0,0,1,1,0,0|2,0,0]=4 564 B9R1.6 C1CSCCC1C(=O)O TS89293 [0,0,1,1,0,0|1,0,0]=3 565 B9R1.6 C1CSC[C@H](N1)C(=O)O TS07358 [0,0,1,1,0,0|2,0,0]=4 566 B9R1.6 C1C[C@@H](CC=C1)C(=O)O TS36128 [0,0,1,1,0,0|0,0,2]=4 567 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS85892 [0,0,1,1,0,0|2,0,0]=4 568 B9R1.6 C1C[C@@H](CNC1)C(=O)N TS90971 [0,0,1,1,0,0|2,0,0]=4 569 B9R1.6 C1C[C@@H](CNC1)C(=O)O TS46667 [0,0,1,1,0,0|1,0,0]=3 570 B9R1.6 C1C[C@H](CC=C1)C(=O)O TS90359 [0,0,1,1,0,0|0,0,2]=4 571 B9R1.6 C1C[C@H](CNC1)C(=O)N TS89106 [0,0,1,1,0,0|2,0,0]=4 572 B9R1.6 C1C[C@H](CNC1)C(=O)N TS90970 [0,0,1,1,0,0|2,0,0]=4 573 B9R1.6 C1C[C@H](CNC1)C(=O)O TS00308 [0,0,1,1,0,0|1,0,0]=3 574 B9R1.6 C1C[C@H](CNC1)C(=O)O TS59489 [0,0,1,1,0,0|1,0,0]=3 575 B9R1.6 CC(=O)C1CCCCC1 TS05176 [0,0,1,1,0,0|1,0,0]=3 576 B9R1.6 CC(=O)C1CCCCN1 TS59502 [0,0,1,1,0,0|2,0,0]=4 577 B9R1.6 CC(=O)N1CCCCC1 TS05281 [0,0,1,1,0,0|2,0,0]=4 578 B9R1.6 CC(C1CCCCC1)O TS36346 [0,0,1,1,0,0|1,0,1]=4 579 B9R1.83 CCCCCCC1CO1 TS05397 [0,0,1,1,0,0|1,0,1]=4 580 B9R1.83 CCCCCC[C@@H]1CO1 TS05392 [0,0,1,1,0,0|1,0,1]=4 581 B9R1.84 C1CC(C1)CC[N+](=O)[O-] TS36397 [0,0,1,1,0,0|1,0,1]=4 582 B9R1.148 CC1(CCCCCC1)O TS05376 [0,0,1,1,0,0|1,0,1]=4 583 B9R1.14 COC1CCCN1C=O TS36413 [0,0,1,1,0,0|2,0,0]=4 584 B9R2.39 C1C2CNC1C(=O)O2 TS04374 [1,0,0,1,0,0|1,0,0]=3 585 B9R2.39 C1C[C@H]2C[C@@H]1C(=O)N2 TS04254 [1,0,0,1,0,0|1,0,0]=3 586 B9R2.3 C1CC2CCCC2C1 TS04223 [1,0,0,1,0,0|1,0,1]=4 587 B9R2.3 C1CC2CNCC2C1 TS59333 [1,0,0,1,0,0|2,0,0]=4 588 B9R2.3 C1COC2C1CNC2 TS89020 [1,0,0,1,0,0|1,0,1]=4 589 B9R2.3 C1C[C@@H]2CC=C[C@@H]2C1 TS04149 [1,0,0,1,0,0|1,0,0]=3 590 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 TS87054 [1,0,0,1,0,0|2,0,0]=4 591 B9R2.173 C1CC2(C1)CCCN2 TS86401 [1,0,0,1,0,0|1,0,1]=4 592 B9R2.173 C1CC2(C1)CCNC2 TS92584 [1,0,0,1,0,0|2,0,0]=4 593 B9R2.173 C1CC2(CNC2)OC1 TS87587 [1,0,0,1,0,0|1,0,1]=4 594 B9R2.138 C1C(=O)CC12COC2 TS89105 [0,0,0,1,1,0|2,0,0]=4 595 B11R2.34 C1CC1N2CCC(=O)CC2 TS59901 [0,0,0,1,0,1|2,0,0]=4 596 B11R2.36 C1CC2CC(=O)CCN2C1 TS94460 [0,0,0,1,0,1|2,0,0]=4 597 B11R2.742 C1C(=O)NCC2(O1)CNC2 TS92439 [0,0,0,1,0,1|2,0,0]=4 598 B11R2.35 C1CC(=O)CN(C1)C2CC2 TS00432 [0,0,0,1,0,1|2,0,0]=4 599 B11R2.106 C1CC2C(=O)CCCN2C1 TS08529 [0,0,0,1,0,1|2,0,0]=4 600 B11R2.678 C1C2COCC(N2)CC1=O TS87215 [0,0,0,1,0,1|2,0,0]=4 601 B11R2.678 C1C2CSCC(N2)CC1=O TS91826 [0,0,0,1,0,1|2,0,0]=4 602 B11R2.678 C1CC2CC(=O)CC(C1)N2 TS13765 [0,0,0,1,0,1|1,0,0]=3 603 B11R2.1478 C1CC2(C1)CNCC(=O)N2 TS92819 [0,0,0,1,0,1|1,0,0]=3 604 B11R2.66 C1CC2CC(=O)NC2[C@@H]1I TS28137 [0,1,0,1,0,0|1,0,0]=3 605 B11R2.1 C1CC(=O)N2C1CNCC2 TS06479 [0,1,0,1,0,0|1,0,0]=3 606 B11R2.1 C1CC(=O)N2[C@@H]1CNCC2 TS89658 [0,1,0,1,0,0|1,0,0]=3 607 B11R2.1 C1CC(=O)N2[C@H]1CNCC2 TS88149 [0,1,0,1,0,0|1,0,0]=3 608 B11R2.1 C1CCN2C(C1)CCC2=O TS06382 [0,1,0,1,0,0|1,0,0]=3 609 B11R2.1 C1CN2[C@@H](CN1)COC2=O TS86299 [0,1,0,1,0,0|2,0,0]=4 610 B11R2.1 C1CN2[C@H](CN1)COC2=O TS88919 [0,1,0,1,0,0|2,0,0]=4 611 B11R2.1 C1CNC[C@@H]2[C@H]1CNC2=O TS88658 [0,1,0,1,0,0|2,0,0]=4 612 B11R2.748 C1CNCC12CC(=O)NC2 TS85860 [0,1,0,1,0,0|2,0,0]=4 613 B11R2.139 C1C(=O)C[C@@H]2[C@H]1CC(=O)C2 TS06254 [0,1,0,1,0,0|1,0,1]=4 614 B11R2.139 C1C2CC(=O)CC2CC1=O TS06268 [0,1,0,1,0,0|1,0,1]=4 615 B11R2.139 C1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O TS37556 [0,1,0,1,0,0|0,0,0]=2 616 B7R0.5 CCCC(=C(C)C)C TS04362 [0,0,1,0,1,0|1,0,1]=4 617 B7R0.5 CCCC(=O)C(=O)C TS32062 [0,0,1,0,1,0|1,0,1]=4 618 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [0,0,1,0,1,0|2,0,0]=4 619 B7R0.5 CCCC(C(=O)O)Br TS14719 [0,0,1,0,1,0|2,0,0]=4 620 B7R0.5 CCCC(C(=O)O)N TS04663 [0,0,1,0,1,0|2,0,0]=4 621 B7R0.5 CCCC(C(=O)[O-])O TS06422 [0,0,1,0,1,0|2,0,0]=4 622 B7R0.5 CCCC(C)C(=C)C TS31970 [0,0,1,0,1,0|1,0,0]=3 623 B7R0.5 CCCC(C)C(=O)C TS04464 [0,0,1,0,1,0|0,0,0]=2 624 B7R0.5 CCCC(C)C(=O)Cl TS05952 [0,0,1,0,1,0|1,0,0]=3 625 B7R0.5 CCCC(C)C(C)C TS04507 [0,0,1,0,1,0|1,0,1]=4 626 B7R0.5 CCCC(C)C(C)O TS32245 [0,0,1,0,1,0|0,0,2]=4 627 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [0,0,1,0,1,0|2,0,0]=4 628 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [0,0,1,0,1,0|2,0,0]=4 629 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [0,0,1,0,1,0|2,0,0]=4 630 B7R1.8 C1CC(=O)C1CO TS92430 [1,0,0,0,1,0|1,0,0]=3 631 B7R1.10 C1C(CC1=O)CBr TS89769 [1,0,0,0,1,0|2,0,0]=4 632 B7R1.10 C1C(CC1=O)CCl TS90066 [1,0,0,0,1,0|2,0,0]=4 633 B7R1.10 C1C(CC1=O)CN TS88367 [1,0,0,0,1,0|2,0,0]=4 634 B7R1.10 C1C(CC1=O)CO TS87456 [1,0,0,0,1,0|2,0,0]=4 635 B7R1.6 C1CC(C1)CCN TS88922 [1,0,0,0,1,0|1,0,1]=4 636 B7R1.6 COCC1CCN1 TS92247 [1,0,0,0,1,0|2,0,0]=4 637 B7R1.6 COC[C@@H]1CCN1 TS92216 [1,0,0,0,1,0|2,0,0]=4 638 B7R1.6 COC[C@H]1CCN1 TS90071 [1,0,0,0,1,0|2,0,0]=4