0 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.3 CCOC(=O)C(Cl)C=O SBB054117 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.3 CCOC(=O)\C(Cl)=N\O SBB009890 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.3 CCOC(=O)\C(N)=N/O SBB085806 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 CCNCC(O)CC SBB072921 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 CCOCC(O)CN SBB017905 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.5 C=C(C)C(=O)OCC SBB061402 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.5 CCCC(=O)N(C)C SBB008345 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.5 CCOC(=O)C(C)Br SBB058608 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,0,0,0,0,0|0,0,0]=1 14 B7R0.5 CCOC(=O)C(C)N SBB004040 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.5 CCOC(=O)C(F)Br SBB070746 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.5 CCOC(=O)C(F)I SBB097841 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.5 CCOC(=O)C(N)=S SBB056420 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 CN(C)C(=O)CCN SBB085472 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.7 C=C=CC(=O)OCC SBB054147 [1,0,0,0,0,0|0,0,3]=4 20 B7R0.7 CC#CC(=O)OCC SBB069554 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.7 CCCC(=O)CCC SBB060386 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.7 CCCC(N)CCC SBB018801 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.7 CCCC(O)CCC SBB061327 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.7 CCCN(C)CCC SBB061592 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.7 CCNC(=O)CC#N SBB000040 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.7 CCNC(=O)NCC SBB058550 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.7 CCOC(=O)CC#N SBB040821 [1,0,0,0,0,0|1,0,1]=3 28 B7R0.7 CCOC(=O)CCBr SBB070739 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.7 CCOC(=O)CCN SBB004038 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.7 CCOC(=O)CNN SBB021976 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.7 CCOC(=O)CNN SBB054137 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.7 CCOC(=O)N=C=S SBB066610 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.7 CCOC(=O)OCC SBB060086 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.7 CCOC(C)OCC SBB058503 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.7 CCOS(=O)OCC SBB060108 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,0,0,0,0,0|0,0,2]=3 37 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.7 P(=O)(OCC)OCC SBB056825 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.10 CCC(Br)C(=O)OC SBB070737 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.10 COC(=O)C(=O)OC SBB040902 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.10 COC(=O)C(N)CO SBB004026 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.10 COC(=O)C(N)CS SBB054105 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.10 COC(C)C(=O)NN SBB080152 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.10 OC[C@H]([C@@H](C)CC)N SBB027248 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.6 CCOC(=O)C(=O)N(C)C SBB008387 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.6 CCOC(=O)C(Br)C(C)C SBB005789 [0,1,0,0,0,0|1,0,0]=2 48 B9R0.6 CCOC(=O)C(C)C(C)=O SBB060347 [0,1,0,0,0,0|0,0,1]=2 49 B9R0.6 CCOC(=O)C(Cl)C(C)=O SBB040841 [0,1,0,0,0,0|1,0,1]=3 50 B9R0.6 CCOC(=O)[C@@H](N)C(C)C SBB054134 [0,1,0,0,0,0|1,0,0]=2 51 B9R0.19 CCOC(=O)C(C)(C)C#N SBB050264 [0,1,0,0,0,0|1,0,1]=3 52 B9R0.19 CCOC(=O)C(C)(C)CCl SBB087854 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.35 CCNC(=O)C(=O)NCC SBB007900 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,1,0,0,0,0|1,0,1]=3 56 B9R0.35 CCOC(=O)C(C)N=C=O SBB048880 [0,1,0,0,0,0|1,0,1]=3 57 B9R0.35 CCOC(=O)C(C)N=C=S SBB050954 [0,1,0,0,0,0|1,0,1]=3 58 B9R0.37 CCCC(=O)N(CC)CC SBB008344 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.37 CCCC(O)C(CC)CO SBB060488 [0,1,0,0,0,0|1,0,2]=4 60 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.5 CN1CCCCCC1=O SBB056535 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.5 NC1CCCCNC1=O SBB056282 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.15 CCC1CCCOC1=O SBB061552 [0,0,0,1,0,0|0,0,0]=1 66 B9R1.15 CCC1NCCNC1=O SBB010255 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.15 COC1CCCNC1=O SBB056098 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.15 O=C1CCCCC1CO SBB054864 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [0,0,0,1,0,0|0,0,0]=1 70 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [0,0,0,0,0,1|2,0,1]=4 71 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [0,0,0,0,0,1|1,0,0]=2 72 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [0,0,0,0,0,1|2,0,0]=3 73 B9R0.34 CCOC(=O)\C=C(\C)NC SBB080741 [0,0,0,0,0,1|1,0,1]=3 74 B9R0.34 N(C(=O)CCl)C(=O)OCC SBB003907 [0,0,0,0,0,1|2,0,1]=4 75 B6R0.1 C#CC(=O)OCC SBB060344 [2,0,0,0,0,0|0,0,2]=4 76 B6R0.1 C=CC(=O)OCC SBB060348 [2,0,0,0,0,0|0,0,2]=4 77 B6R0.1 CCC(O)COC SBB072708 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|0,0,0]=2 79 B6R0.1 CCCC(=O)NN SBB028175 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.1 CCCC(=O)OC SBB061104 [2,0,0,0,0,0|0,0,0]=2 81 B6R0.1 CCCC(C)CO SBB061282 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.1 CCCC(O)CC SBB061363 [2,0,0,0,0,0|0,0,2]=4 83 B6R0.1 CCNC(=O)CBr SBB051008 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.1 CCNC(=O)CCl SBB008200 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.1 CCNC(C)CO SBB046531 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.1 CCOC(=O)CBr SBB060995 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.1 CCOC(=O)CC SBB060312 [2,0,0,0,0,0|0,0,0]=2 88 B6R0.1 CCOC(=O)NN SBB028182 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.1 COC(=O)CC#N SBB059483 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.1 COC(=O)CCBr SBB070709 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.1 COC(=O)CCN SBB071679 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.1 C\C=C\C(=O)OC SBB061218 [2,0,0,0,0,0|0,0,2]=4 93 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.4 CCOCC(C)O SBB061006 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.6 CCCCSCC SBB061178 [2,0,0,0,0,0|0,1,1]=4 96 B6R0.6 CCCNCCC SBB059762 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.6 CCCSCCC SBB061017 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.6 CCOCCCN SBB028180 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.6 CC\C=C/CCO SBB007739 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.3 C=C(C)C(=O)OC SBB060556 [2,0,0,0,0,0|0,0,2]=4 101 B6R0.3 CC(C)C(=O)NN SBB030401 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.3 CC(CN)C(=O)O SBB061656 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.3 CCC(=O)C(C)=O SBB061626 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.3 CCC(Br)C(=O)O SBB040791 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.3 CCC(C)C(C)C SBB061452 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.3 CCC(N)C(N)=O SBB017505 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.3 CN(C)C(=O)CCl SBB038711 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.3 COC(=O)C(C)C SBB061111 [2,0,0,0,0,0|0,0,0]=2 112 B6R0.3 COC(=O)C(C)N SBB007634 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.3 COC(=O)C(F)F SBB021971 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.3 C\C=C(\C)C(=O)O SBB071598 [2,0,0,0,0,0|0,0,2]=4 115 B6R0.3 NC(CO)C(=O)O SBB061655 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.3 NCC(N)C(=O)O SBB060844 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.3 O=C(O)C(Br)CBr SBB068302 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.3 O=C(O)C(O)CCl SBB072606 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [2,0,0,0,0,0|2,0,0]=4 121 B8R0.11 CCCCC(CC)CBr SBB059938 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.11 CCCCC(CC)CCl SBB005809 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.11 CCCCC(CC)CI SBB061182 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.11 CCCCC(CC)CO SBB059906 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.11 NCC(CC)CCCC SBB006745 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.19 CCC(=O)OC(C)CC SBB061103 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.19 CCC(C)NC(C)CC SBB059801 [1,1,0,0,0,0|2,0,0]=4 128 B8R0.25 CCCCC(C)(O)CC SBB061166 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.14 CCOC(=O)C(F)(Br)Br SBB102730 [1,1,0,0,0,0|2,0,0]=4 130 B8R0.14 CCOC(=O)C(F)(F)Br SBB093033 [1,1,0,0,0,0|2,0,0]=4 131 B8R0.14 CCOC(=O)C(F)(F)Cl SBB087321 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.14 CCOC(=O)C(F)(F)F SBB008466 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.14 CCOC(=O)C(F)(F)I SBB100668 [1,1,0,0,0,0|2,0,0]=4 134 B8R0.14 CNCC(=O)C(C)(C)C SBB002868 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.5 CC(C)OC(=O)CC#N SBB056441 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.5 CCCC(=O)OC(C)C SBB061106 [1,1,0,0,0,0|0,0,0]=2 138 B8R0.5 CCOC(=O)CC(=N)N SBB010259 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [1,1,0,0,0,0|0,0,1]=3 142 B8R0.5 CCOC(=O)CC(C)C SBB061114 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.5 CCOC(=O)CC(C)N SBB108871 [1,1,0,0,0,0|0,0,0]=2 144 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [1,1,0,0,0,0|0,0,2]=4 145 B8R0.22 C(=O)N(CCC)CCC SBB008026 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.22 CCCC(C=O)CCC SBB052355 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.30 CCOS(=O)(=O)OCC SBB060663 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.13 COC(=O)C(C)(Br)CBr SBB080573 [1,1,0,0,0,0|1,0,0]=3 149 B8R0.20 CCC(OC)C(=O)NN SBB080166 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.20 CCN(CC)C(=O)CCl SBB038655 [1,1,0,0,0,0|2,0,0]=4 151 B10R0.2 CCCC(=O)CC(=O)OCC SBB061679 [0,1,0,0,0,1|1,0,1]=4 152 B10R0.2 CCNC(C)CC(=O)OCC SBB046533 [0,1,0,0,0,1|0,0,0]=2 153 B10R0.2 CCOC(=N)CC(=O)OCC SBB002620 [0,1,0,0,0,1|1,0,1]=4 154 B10R0.2 CCOC(=O)CC(=O)OCC SBB040813 [0,1,0,0,0,1|1,0,1]=4 155 B10R0.2 CCOC(=O)C[C@H](O)CC#N SBB067618 [0,1,0,0,0,1|1,0,1]=4 156 B10R0.2 CCOC(=O)NC(=O)OCC SBB008155 [0,1,0,0,0,1|1,0,1]=4 157 B10R0.2 CCOC(=O)\C=C(/C)OCC SBB058446 [0,1,0,0,0,1|0,0,1]=3 158 B10R0.2 CCOC(=O)\C=C(/N)OCC SBB003590 [0,1,0,0,0,1|1,0,1]=4 159 B10R0.26 CCOC(=O)\C=C(\C)C(C)F SBB087448 [0,1,0,0,0,1|0,0,1]=3 160 B10R0.101 CCOC(=O)C(C#N)C(C)=O SBB007825 [0,2,0,0,0,0|0,0,2]=4 161 B10R0.101 CCOC(=O)C(CC)C(C)=O SBB079228 [0,2,0,0,0,0|0,0,0]=2 162 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,2,0,0,0,0|1,0,0]=3 163 B10R0.19 CCOC(=O)C(N)CCSC SBB000541 [0,2,0,0,0,0|1,0,0]=3 164 B10R0.19 CCOC(=O)[C@@H](N)CCCN SBB070614 [0,2,0,0,0,0|1,0,0]=3 165 B10R0.32 CCOC(=O)C(=O)CC(C)=O SBB008612 [0,2,0,0,0,0|1,0,1]=4 166 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,2,0,0,0,0|1,0,0]=3 167 B10R0.37 CCC(Br)C(=O)OC(C)(C)C SBB070816 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.2 CCC1CCCCC1 SBB061162 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.2 COC1C=CCCC1 SBB060461 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.2 N1CCCCC1CC SBB004312 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.2 NCC1CCCOC1 SBB013821 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.2 OCC1CCCOC1 SBB014200 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.3 CC1CCC(C)CC1 SBB061451 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.5 CC1CCCNC1C SBB027556 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.19 CC1(Br)CCOC1=O SBB057373 [1,0,0,1,0,0|1,0,0]=3 176 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [1,0,0,1,0,0|1,0,1]=4 177 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.8 CCCC1OCCO1 SBB060981 [1,0,0,1,0,0|0,0,2]=4 179 B8R1.8 CCCC1OCCS1 SBB056724 [1,0,0,1,0,0|0,1,1]=4 180 B8R1.39 COC(=O)C1(N)CC1 SBB069778 [1,0,0,1,0,0|1,0,0]=3 181 B10R1.22 CC1CC(=O)CN(C)C1C SBB002863 [0,0,0,1,0,1|2,0,0]=4 182 B10R1.137 CCOC(=O)C=C1CCC1 SBB054044 [0,0,0,1,0,1|0,0,1]=3 183 B10R1.475 C=C1OC(=O)OC1(C)CC SBB012659 [0,0,0,1,0,1|0,0,2]=4 184 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,1,0,1,0,0|1,0,1]=4 185 B10R1.291 CC(=O)C1(C)CCOC1=O SBB048120 [0,1,0,1,0,0|0,0,1]=3 186 B10R1.19 O=C1CCCCCN1CO SBB001697 [0,1,0,1,0,0|2,0,0]=4 187 B10R1.119 CC1C(=O)CCN(C)C1C SBB002408 [0,1,0,1,0,0|1,0,0]=3 188 B10R1.4 C=CCC1CCCCC1=O SBB006544 [0,1,0,1,0,0|1,0,1]=4 189 B10R1.63 CC1CNC(C)(C)C(=O)C1 SBB002833 [0,1,0,1,0,0|2,0,0]=4 190 B10R1.401 CCOC(=O)C1(N)CCC1 SBB003753 [0,1,0,1,0,0|0,0,0]=2 191 B10R1.11 CCOC(=O)C1SCCS1 SBB056950 [0,1,0,1,0,0|1,0,0]=3 192 B10R1.118 CC1OC(=O)C(C)OC1=O SBB007949 [0,1,0,1,0,0|1,0,1]=4 193 B10R1.118 CC1OC(=O)C(C)OC1=O SBB008348 [0,1,0,1,0,0|1,0,1]=4 194 B10R1.118 [C@H]1(C)C[C@@H](C)C(=O)OC1=O SBB086230 [0,1,0,1,0,0|1,0,1]=4 195 B10R2.25 O=C1C2CCC(C2)C1Cl SBB061651 [0,0,0,2,0,0|2,0,0]=4 196 B10R2.62 O=C1CN2CCC1CC2 SBB056219 [0,0,0,2,0,0|2,0,0]=4 197 B10R2.62 O=C1CN2CCC1CC2 SBB080572 [0,0,0,2,0,0|2,0,0]=4 198 B10R2.42 O=C1OC(=O)C2CCC12 SBB056376 [0,0,0,2,0,0|1,0,1]=4