0 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,0,0,0,0|0,0,2]=2 4 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 CN1CCCC(N)C1 SBB047756 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.4 O=C1CCNC(=O)N1 SBB007702 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.4 O=C1COCC(=O)O1 SBB060695 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.4 O=C1CSCC(=O)O1 SBB085808 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.3 BrC1C=CCCC1 SBB007864 [1,0,0,0,0,0|1,0,1]=3 16 B7R1.3 BrC1CCCCC1 SBB059944 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.3 BrC1CCNCC1 SBB054613 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.3 CC1CC=CCC1 SBB060473 [1,0,0,0,0,0|0,0,1]=2 19 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,0,0,0|0,0,1]=2 20 B7R1.3 CC1SCCCS1 SBB056211 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.3 CN1CCCCC1 SBB060237 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.3 CN1CCOCC1 SBB061013 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.3 ClC1CCOCC1 SBB070678 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.3 FC1CCCNC1 SBB070684 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 FC1CCNCC1 SBB070685 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.3 N1CCC(C)CC1 SBB027302 [1,0,0,0,0,0|1,0,1]=3 27 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,0,0,0|1,0,0]=2 28 B7R1.3 N1CCCC(O)C1 SBB004193 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 N1CCCCC1C SBB027300 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.3 N1CCN(C)CC1 SBB027304 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.3 N1CCNC(C)C1 SBB027299 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 NC1CCCCC1 SBB040492 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.3 NC1CCCNC1 SBB052004 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 NC1CCCOC1 SBB012974 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 NC1CCNCC1 SBB028166 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.3 NC1CCOCC1 SBB014873 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 NC1CCOCC1 SBB069906 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 NN1CCCCC1 SBB067336 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 NN1CCOCC1 SBB004363 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 N[C@H]1CCCNC1 SBB017596 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,0,0,0|0,0,2]=3 43 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,0,0,0|0,0,0]=1 44 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,0,0,0|1,0,0]=2 47 B7R1.3 O=C1CNCCN1 SBB000034 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 OC1CCCCC1 SBB060483 [1,0,0,0,0,0|0,0,2]=3 49 B7R1.3 OC1CCCCO1 SBB055947 [1,0,0,0,0,0|1,0,2]=4 50 B7R1.3 OC1CCCNC1 SBB027351 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 OC1CCNCC1 SBB027346 [1,0,0,0,0,0|1,0,2]=4 52 B7R1.3 OC1CCOCC1 SBB055945 [1,0,0,0,0,0|1,0,2]=4 53 B7R1.3 S=C1NCCCN1 SBB017542 [1,0,0,0,0,0|2,1,0]=4 54 B7R1.3 S=C1NCCCS1 SBB085843 [1,0,0,0,0,0|2,1,0]=4 55 B7R1.3 SC1=NCCCN1 SBB039536 [1,0,0,0,0,0|2,1,0]=4 56 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.2 CCN1CCCC(N)C1 SBB010256 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.2 CN1CCCC(CN)C1 SBB085275 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.2 CN1CCCC(CO)C1 SBB108760 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.2 CN1CCOC(CN)C1 SBB002810 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,1,0,0,0,0|0,0,0]=1 62 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,1,0,0,0,0|1,0,2]=4 63 B9R1.3 CC1CCCC(C)N1N SBB061736 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.3 CC1CCCC(N)C1C SBB061727 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.3 O=C1CCCC(=O)C1Br SBB038106 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [0,1,0,0,0,0|1,0,2]=4 67 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,1,0,0,0,0|0,0,1]=2 68 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.34 CC1CC(=O)NC(=O)N1 SBB007701 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.34 CC1CC(=O)NC(S)=N1 SBB059861 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.34 CC1CC(C)CC(C)C1 SBB061287 [0,1,0,0,0,0|1,0,1]=3 72 B9R1.34 CC1CC(O)CN(C)C1 SBB002820 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.34 OC1CC(O)CC(O)C1 SBB061570 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.69 CC1CN(C)CCC1=O SBB001724 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,0,1,0,0,0|2,0,0]=3 77 B7R0.2 CC(C)NC(=O)CBr SBB051007 [0,0,1,0,0,0|2,0,0]=3 78 B7R0.2 CC(C)NC(=O)CCl SBB016573 [0,0,1,0,0,0|2,0,0]=3 79 B7R0.2 CC(C)NC(=O)CN SBB085357 [0,0,1,0,0,0|2,0,0]=3 80 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,0,1,0,0,0|2,0,0]=3 81 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,0,1,0,0,0|2,0,0]=3 82 B7R0.2 CC(CO)CN(C)C SBB046544 [0,0,1,0,0,0|3,0,0]=4 83 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,0,1,0,0,0|1,0,0]=2 85 B7R0.2 CCC(C)CC(=O)O SBB008180 [0,0,1,0,0,0|1,0,0]=2 86 B7R0.2 CCC(C)NC(N)=O SBB008605 [0,0,1,0,0,0|2,0,0]=3 87 B7R0.2 CCC(O)CN(C)C SBB061151 [0,0,1,0,0,0|1,0,2]=4 88 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,0,1,0,0,0|1,0,1]=3 89 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.2 NC[C@@H](O)CC(=O)O SBB065945 [0,0,1,0,0,0|3,0,0]=4 91 B7R0.4 C#CCCCC(=O)O SBB009090 [0,0,1,0,0,0|1,0,2]=4 92 B7R0.4 CC(C)CCCCBr SBB008833 [0,0,1,0,0,0|1,0,1]=3 93 B7R0.4 CC(C)OCCC#N SBB080430 [0,0,1,0,0,0|2,0,1]=4 94 B7R0.4 CC(C)OCCCN SBB061717 [0,0,1,0,0,0|2,0,1]=4 95 B7R0.4 CCCC#CC(=O)O SBB009091 [0,0,1,0,0,0|1,0,2]=4 96 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,0,1,0,0,0|1,0,0]=2 97 B7R0.4 CCCCCC(=O)O SBB053586 [0,0,1,0,0,0|1,0,0]=2 98 B7R0.4 CCCCCC(C)=O SBB061125 [0,0,1,0,0,0|0,0,0]=1 99 B7R0.4 CCCCCC(N)=O SBB061056 [0,0,1,0,0,0|1,0,0]=2 100 B7R0.4 CCCCNC(N)=S SBB028242 [0,0,1,0,0,0|2,1,0]=4 101 B7R0.4 CCCCOC(N)=O SBB060819 [0,0,1,0,0,0|2,0,0]=3 102 B7R0.4 CCCOCC(C)O SBB061007 [0,0,1,0,0,0|1,0,2]=4 103 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,0,1,0,0,0|1,0,2]=4 104 B7R0.4 CCOCCC(=O)O SBB053607 [0,0,1,0,0,0|2,0,0]=3 105 B7R0.4 CN(C)CCCC#N SBB072052 [0,0,1,0,0,0|2,0,1]=4 106 B7R0.4 CN(C)CCCCN SBB008514 [0,0,1,0,0,0|2,0,1]=4 107 B7R0.4 CNCCCN(C)C SBB052125 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.4 COCCNC(C)C SBB302570 [0,0,1,0,0,0|3,0,0]=4 109 B7R0.4 COCCOC(C)=O SBB060999 [0,0,1,0,0,0|2,0,0]=3 110 B7R0.4 NCCCCC(=O)O SBB061559 [0,0,1,0,0,0|2,0,0]=3 111 B7R0.4 O=C(O)CCCCBr SBB061343 [0,0,1,0,0,0|2,0,0]=3 112 B7R0.4 O=C(O)CCCCCl SBB061215 [0,0,1,0,0,0|2,0,0]=3 113 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,0,1,0,0,0|1,0,2]=4 114 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.7 CC#CC(=O)OCC SBB069554 [0,0,1,0,0,0|1,0,2]=4 116 B7R0.7 CCCC(=O)CCC SBB060386 [0,0,1,0,0,0|0,0,0]=1 117 B7R0.7 CCCC(N)CCC SBB018801 [0,0,1,0,0,0|1,0,1]=3 118 B7R0.7 CCCC(O)CCC SBB061327 [0,0,1,0,0,0|0,0,2]=3 119 B7R0.7 CCCN(C)CCC SBB061592 [0,0,1,0,0,0|2,0,0]=3 120 B7R0.7 CCNC(=O)CC#N SBB000040 [0,0,1,0,0,0|2,0,1]=4 121 B7R0.7 CCNC(=O)NCC SBB058550 [0,0,1,0,0,0|2,0,0]=3 122 B7R0.7 CCNC(C)CCO SBB046562 [0,0,1,0,0,0|1,0,2]=4 123 B7R0.7 CCOC(=O)CC#N SBB040821 [0,0,1,0,0,0|2,0,1]=4 124 B7R0.7 CCOC(=O)CCBr SBB070739 [0,0,1,0,0,0|2,0,0]=3 125 B7R0.7 CCOC(=O)CCN SBB004038 [0,0,1,0,0,0|2,0,0]=3 126 B7R0.7 CCOC(=O)CNN SBB021976 [0,0,1,0,0,0|3,0,0]=4 127 B7R0.7 CCOC(=O)CNN SBB054137 [0,0,1,0,0,0|3,0,0]=4 128 B7R0.7 CCOC(=O)OCC SBB060086 [0,0,1,0,0,0|2,0,0]=3 129 B7R0.7 CCOS(=O)OCC SBB060108 [0,0,1,0,0,0|3,0,0]=4 130 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,0,1,0,0,0|1,0,2]=4 131 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,0,1,0,0,0|2,0,0]=3 132 B7R0.7 P(=O)(OCC)OCC SBB056825 [0,0,1,0,0,0|3,0,0]=4 133 B9R2.39 N[C@H]1C[C@@H]2CCC1C2 SBB017219 [0,0,0,1,0,0|1,0,1]=3 134 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,0,0,1,0,0|0,0,0]=1 135 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O SBB056352 [0,0,0,1,0,0|1,0,2]=4 136 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,0,0,0,1,0|2,1,0]=4 137 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,0,0,0,1,0|2,0,1]=4 138 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,0,0,0,1,0|2,0,1]=4 139 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,0,0,0,1,0|2,0,1]=4 140 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,0,0,0,1,0|2,0,1]=4 141 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,0,0,0,1,0|2,0,0]=3 142 B7R1.4 BrC1CCCC1Br SBB060684 [0,0,0,0,1,0|2,0,1]=4 143 B7R1.4 CN1CCCC1=O SBB060297 [0,0,0,0,1,0|1,0,0]=2 144 B7R1.4 ClC1CCCC1Cl SBB060212 [0,0,0,0,1,0|2,0,1]=4 145 B7R1.4 NC1CCOC1=O SBB004366 [0,0,0,0,1,0|2,0,0]=3 146 B7R1.4 NC1CCOC1=O SBB057192 [0,0,0,0,1,0|2,0,0]=3 147 B7R1.4 NC1CCSC1=O SBB004035 [0,0,0,0,1,0|2,0,0]=3 148 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,0,0,0,1,0|3,0,0]=4 149 B7R1.4 O=C1OCCC1Br SBB083094 [0,0,0,0,1,0|2,0,0]=3 150 B7R1.4 OC1CCCC1Cl SBB060196 [0,0,0,0,1,0|1,0,2]=4 151 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,0,0,0,1,0|1,0,2]=4 152 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,0,0,0,0,1|1,0,1]=3 153 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,0,0,0,0,1|2,0,1]=4 154 B6R0.1 CCC(O)COC SBB072708 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.1 CCCC(=O)CC SBB061496 [1,0,1,0,0,0|0,0,0]=2 156 B6R0.1 CCCC(=O)NN SBB028175 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.1 CCCC(=O)OC SBB061104 [1,0,1,0,0,0|1,0,0]=3 158 B6R0.1 CCCC(C)CO SBB061282 [1,0,1,0,0,0|0,0,1]=3 159 B6R0.1 CCCC(O)CC SBB061363 [1,0,1,0,0,0|0,0,2]=4 160 B6R0.1 CCNC(=O)CBr SBB051008 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.1 CCNC(=O)CCl SBB008200 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.1 CCNC(C)CO SBB046531 [1,0,1,0,0,0|1,0,1]=4 163 B6R0.1 CCOC(=O)CBr SBB060995 [1,0,1,0,0,0|2,0,0]=4 164 B6R0.1 CCOC(=O)CC SBB060312 [1,0,1,0,0,0|1,0,0]=3 165 B6R0.1 CNCC(C)OC SBB049894 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.1 COC(=O)CCBr SBB070709 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.1 COC(=O)CCN SBB071679 [1,0,1,0,0,0|2,0,0]=4 168 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.2 CC(=O)C=C(C)C SBB040870 [1,0,1,0,0,0|0,0,2]=4 170 B6R0.2 CC(=O)CC(C)=O SBB009914 [1,0,1,0,0,0|1,0,1]=4 171 B6R0.2 CC(=O)CC(C)C SBB060384 [1,0,1,0,0,0|0,0,0]=2 172 B6R0.2 CC(C)CC(=O)Cl SBB040623 [1,0,1,0,0,0|1,0,0]=3 173 B6R0.2 CC(C)CC(C)Br SBB007950 [1,0,1,0,0,0|1,0,1]=4 174 B6R0.2 CC(C)CC(C)O SBB061337 [1,0,1,0,0,0|0,0,2]=4 175 B6R0.2 CC(C)CC(N)=O SBB028167 [1,0,1,0,0,0|1,0,0]=3 176 B6R0.2 CC(O)CC(=O)O SBB065815 [1,0,1,0,0,0|2,0,0]=4 177 B6R0.2 CN(C)CC(=O)O SBB065779 [1,0,1,0,0,0|2,0,0]=4 178 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [1,0,1,0,0,0|2,0,0]=4 179 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,1,0,0,0|0,0,2]=4 180 B6R0.4 C=COCC(C)C SBB060157 [1,0,1,0,0,0|1,0,1]=4 181 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.4 CC(=O)NCCN SBB028176 [1,0,1,0,0,0|2,0,0]=4 183 B6R0.4 CC(=O)NCCO SBB007954 [1,0,1,0,0,0|2,0,0]=4 184 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.4 CC(C)COC=O SBB061244 [1,0,1,0,0,0|1,0,0]=3 186 B6R0.4 CC(C)NCCN SBB048119 [1,0,1,0,0,0|2,0,0]=4 187 B6R0.4 CC(C)NCCO SBB056428 [1,0,1,0,0,0|1,0,1]=4 188 B6R0.4 CC(C)OCCN SBB301616 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.4 CCC#CC(C)=O SBB009086 [1,0,1,0,0,0|0,0,2]=4 190 B6R0.4 CCCCC(=O)O SBB053585 [1,0,1,0,0,0|1,0,0]=3 191 B6R0.4 CCCCC(C)=O SBB061262 [1,0,1,0,0,0|0,0,0]=2 192 B6R0.4 CCCCC(C)O SBB061290 [1,0,1,0,0,0|0,0,2]=4 193 B6R0.4 CCCCC(N)=O SBB028169 [1,0,1,0,0,0|1,0,0]=3 194 B6R0.4 CCCCN(C)C SBB060243 [1,0,1,0,0,0|1,0,1]=4 195 B6R0.4 CCCNC(N)=O SBB028174 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.4 CCCOC(C)=O SBB060305 [1,0,1,0,0,0|1,0,0]=3 197 B6R0.4 CCCOC(N)=O SBB000036 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.4 CCOCC(=O)O SBB069120 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.4 CCOCC(C)O SBB061006 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.4 CCSCC(=O)O SBB047288 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.4 CN(C)CCCN SBB028177 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.4 CNCCC(N)=O SBB080375 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.4 NCCCC(=O)O SBB028179 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.4 O=C(Cl)CCCCl SBB060894 [1,0,1,0,0,0|2,0,0]=4 205 B6R0.4 O=C(O)CCCBr SBB065986 [1,0,1,0,0,0|2,0,0]=4 206 B6R0.6 C#CCCCCC SBB067441 [1,0,1,0,0,0|0,0,2]=4 207 B6R0.6 C=CCCCCBr SBB054740 [1,0,1,0,0,0|1,0,1]=4 208 B6R0.6 C=CCCCCC SBB059882 [1,0,1,0,0,0|0,0,1]=3 209 B6R0.6 CCCCCC#N SBB060051 [1,0,1,0,0,0|1,0,1]=4 210 B6R0.6 CCCCCCBr SBB059934 [1,0,1,0,0,0|1,0,1]=4 211 B6R0.6 CCCCCCCl SBB059952 [1,0,1,0,0,0|1,0,1]=4 212 B6R0.6 CCCCCCN SBB059984 [1,0,1,0,0,0|1,0,1]=4 213 B6R0.6 CCCCCCO SBB059899 [1,0,1,0,0,0|0,0,2]=4 214 B6R0.6 CCCCCOC SBB061300 [1,0,1,0,0,0|1,0,0]=3 215 B6R0.6 CCCCNC=O SBB060026 [1,0,1,0,0,0|1,0,0]=3 216 B6R0.6 CCCCOC=O SBB060300 [1,0,1,0,0,0|1,0,0]=3 217 B6R0.6 CCCCSCC SBB061178 [1,0,1,0,0,0|1,0,1]=4 218 B6R0.6 CCCNCCC SBB059762 [1,0,1,0,0,0|1,0,0]=3 219 B6R0.6 CCCOCCO SBB061379 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.6 CCCSCCC SBB061017 [1,0,1,0,0,0|1,0,0]=3 221 B6R0.6 CCCSCCO SBB058605 [1,0,1,0,0,0|2,0,0]=4 222 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,1,0,0,0|0,0,2]=4 223 B6R0.6 CC\C=C/CCO SBB007739 [1,0,1,0,0,0|1,0,1]=4 224 B6R1.1 C1=COCCC1 SBB060381 [2,0,0,0,0,0|1,0,1]=4 225 B6R1.1 C1CSCCN1 SBB056209 [2,0,0,0,0,0|2,0,0]=4 226 B6R1.1 C1CSCCO1 SBB060674 [2,0,0,0,0,0|2,0,0]=4 227 B6R1.1 C1CSCSC1 SBB061220 [2,0,0,0,0,0|2,0,0]=4 228 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,1,1,0,0,0|1,0,0]=3 229 B8R0.2 COC(=O)C(N)C(C)C SBB003876 [0,1,1,0,0,0|1,0,0]=3 230 B8R0.2 COC(=O)[C@@H](N)C(C)C SBB302661 [0,1,1,0,0,0|1,0,0]=3 231 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,1,1,0,0,0|1,0,0]=3 232 B8R0.2 [NH3+][C@H](C(=O)[O-])[C@H](C)OC SBB069865 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.5 CC(C)NC(=O)CC#N SBB047976 [0,1,1,0,0,0|1,0,1]=4 234 B8R0.5 CC(C)OC(=O)CC#N SBB056441 [0,1,1,0,0,0|1,0,1]=4 235 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,1,1,0,0,0|1,0,0]=3 236 B8R0.5 CCCC(C)CC(=O)O SBB061321 [0,1,1,0,0,0|1,0,0]=3 237 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [0,1,1,0,0,0|1,0,1]=4 238 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,1,1,0,0,0|0,0,0]=2 239 B8R0.5 CCOC(=O)CC(C)N SBB108871 [0,1,1,0,0,0|1,0,0]=3 240 B8R0.16 CCN(CC)CC(=O)O SBB010260 [0,1,1,0,0,0|2,0,0]=4 241 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,1,1,0,0,0|1,0,0]=3 242 B8R0.19 CCN(C)CC(C)CN SBB046527 [0,1,1,0,0,0|2,0,0]=4 243 B8R0.23 CC(=O)CC(C)C(=O)O SBB053608 [0,1,1,0,0,0|1,0,1]=4 244 B8R0.23 CC(C)CC(O)C(C)C SBB116858 [0,1,1,0,0,0|0,0,2]=4 245 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [0,1,1,0,0,0|1,0,0]=3 246 B8R0.24 CC(C)(C)CC(=O)NN SBB021013 [0,1,1,0,0,0|2,0,0]=4 247 B8R0.24 CC(C)(C)NC(=O)CCl SBB016593 [0,1,1,0,0,0|2,0,0]=4 248 B8R0.24 CC(C)(C)NC(=O)CN SBB302535 [0,1,1,0,0,0|2,0,0]=4 249 B8R0.24 CC(C)(C)OC(=O)CBr SBB070756 [0,1,1,0,0,0|2,0,0]=4 250 B8R0.24 CC(C)(C)OC(=O)CN SBB003877 [0,1,1,0,0,0|2,0,0]=4 251 B8R0.24 CC(C)(C)OC(=O)CN SBB069858 [0,1,1,0,0,0|2,0,0]=4 252 B8R0.24 CCC(=O)NC(C)(C)C SBB060291 [0,1,1,0,0,0|1,0,0]=3 253 B8R0.24 CNC(=O)OC(C)(C)C SBB085461 [0,1,1,0,0,0|2,0,0]=4 254 B8R0.34 CCC(C)(C)NC(C)=O SBB056853 [0,1,1,0,0,0|1,0,0]=3 255 B8R0.34 CCC(C)(C)OC(C)=O SBB060028 [0,1,1,0,0,0|1,0,0]=3 256 B8R0.6 CCCC#CC(=O)OC SBB069575 [0,1,1,0,0,0|0,0,2]=4 257 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,1,0,0,0|0,0,0]=2 258 B8R0.6 CCCCCC(=O)NN SBB021010 [0,1,1,0,0,0|1,0,0]=3 259 B8R0.6 CCCCCC(=O)NO SBB008093 [0,1,1,0,0,0|1,0,0]=3 260 B8R0.6 CCCCCC(=O)OC SBB060591 [0,1,1,0,0,0|0,0,0]=2 261 B8R0.6 CCCCCC(Br)CBr SBB060499 [0,1,1,0,0,0|1,0,1]=4 262 B8R0.6 CCCCCC(O)CC SBB059904 [0,1,1,0,0,0|0,0,2]=4 263 B8R0.6 CCCCNC(=O)CCl SBB010319 [0,1,1,0,0,0|1,0,0]=3 264 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,1,0,0,0|1,0,0]=3 265 B8R0.6 CCCCOC(=O)CCl SBB060760 [0,1,1,0,0,0|1,0,0]=3 266 B8R0.6 CCCCOC(=O)CF SBB085867 [0,1,1,0,0,0|1,0,0]=3 267 B8R0.6 CCCCOC(=O)CS SBB061004 [0,1,1,0,0,0|1,0,0]=3 268 B8R0.6 CCNCCC(=O)NN SBB046550 [0,1,1,0,0,0|2,0,0]=4 269 B8R0.6 CCOCCC(=O)NN SBB079954 [0,1,1,0,0,0|2,0,0]=4 270 B8R0.6 COC(=O)CCCCBr SBB070759 [0,1,1,0,0,0|1,0,0]=3 271 B8R0.6 COCCNC(=O)CCl SBB038704 [0,1,1,0,0,0|2,0,0]=4 272 B8R0.7 C#CCCCCC(=O)O SBB008797 [0,1,1,0,0,0|1,0,1]=4 273 B8R0.7 C=C(C)CSCCCC SBB061593 [0,1,1,0,0,0|1,0,0]=3 274 B8R0.7 CC(=O)CCCOC=O SBB001557 [0,1,1,0,0,0|1,0,1]=4 275 B8R0.7 CC(=O)OCCCCCl SBB059334 [0,1,1,0,0,0|1,0,0]=3 276 B8R0.7 CC(C)CCCCCBr SBB054753 [0,1,1,0,0,0|1,0,1]=4 277 B8R0.7 CC(C)CNCCCO SBB301242 [0,1,1,0,0,0|0,0,2]=4 278 B8R0.7 CC(C)COCCC#N SBB061192 [0,1,1,0,0,0|1,0,1]=4 279 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,1,1,0,0,0|1,0,0]=3 280 B8R0.7 CCCCCCC(=O)O SBB053587 [0,1,1,0,0,0|1,0,0]=3 281 B8R0.7 CCCCCCC(C)=O SBB060387 [0,1,1,0,0,0|0,0,0]=2 282 B8R0.7 CCCCCCC(C)Br SBB060198 [0,1,1,0,0,0|1,0,1]=4 283 B8R0.7 CCCCCCC(C)N SBB028238 [0,1,1,0,0,0|1,0,1]=4 284 B8R0.7 CCCCCCC(C)O SBB059903 [0,1,1,0,0,0|0,0,2]=4 285 B8R0.7 CCCCCCN(C)C SBB059990 [0,1,1,0,0,0|2,0,0]=4 286 B8R0.7 CCCCCOC(C)=O SBB060027 [0,1,1,0,0,0|0,0,0]=2 287 B8R0.7 CCCCNCC(C)C SBB059764 [0,1,1,0,0,0|1,0,1]=4 288 B8R0.7 CCCCNCC(C)O SBB059782 [0,1,1,0,0,0|0,0,2]=4 289 B8R0.7 CCCCSCC(=O)O SBB061205 [0,1,1,0,0,0|1,0,0]=3 290 B8R0.7 CCCNCCC(N)=O SBB116773 [0,1,1,0,0,0|1,0,0]=3 291 B8R0.7 CCOCCOC(C)=O SBB061000 [0,1,1,0,0,0|1,0,0]=3 292 B8R0.7 CN(C)CCCCCN SBB008565 [0,1,1,0,0,0|2,0,0]=4 293 B8R0.7 COCCOCC(=O)O SBB008497 [0,1,1,0,0,0|2,0,0]=4 294 B8R0.7 NC(=O)CCNCCO SBB116776 [0,1,1,0,0,0|2,0,0]=4 295 B8R0.7 NCCCCCC(=O)O SBB015068 [0,1,1,0,0,0|1,0,0]=3 296 B8R0.7 O=C(O)CCCCCBr SBB065783 [0,1,1,0,0,0|1,0,0]=3 297 B8R0.7 O=C(O)CCNCCO SBB079386 [0,1,1,0,0,0|2,0,0]=4 298 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [0,1,1,0,0,0|1,0,1]=4 299 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,1,1,0,0,0|0,0,1]=3 300 B8R0.8 CCCCC(Br)C(=O)O SBB069524 [0,1,1,0,0,0|1,0,0]=3 301 B8R0.8 CCCCC(C)C(=O)O SBB072714 [0,1,1,0,0,0|1,0,0]=3 302 B8R0.8 CCCCC(N)C(C)=O SBB014561 [0,1,1,0,0,0|0,0,0]=2 303 B8R0.8 CCCC[C@H](N)C(=O)O SBB065920 [0,1,1,0,0,0|1,0,0]=3 304 B8R0.8 NCCCC(N)C(=O)O SBB047988 [0,1,1,0,0,0|2,0,0]=4 305 B8R0.8 OC(=O)C(C)CCCCl SBB004068 [0,1,1,0,0,0|2,0,0]=4 306 B8R0.8 OC(=O)[C@@H](CCSC)N SBB006710 [0,1,1,0,0,0|2,0,0]=4 307 B8R0.8 [NH3+]CCCC(N)C(=O)O SBB061681 [0,1,1,0,0,0|2,0,0]=4 308 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,1,0,0,0|1,0,1]=4 309 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,1,1,0,0,0|1,0,0]=3 310 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,1,1,0,0,0|1,0,1]=4 311 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,1,1,0,0,0|0,0,0]=2 312 B8R0.28 OC(=O)CCCN(C)C SBB005767 [0,1,1,0,0,0|1,0,0]=3 313 B8R0.28 [NH+](C)(C)CCCC(=O)O SBB058463 [0,1,1,0,0,0|1,0,0]=3 314 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,1,1,0,0,0|0,0,2]=4 315 B8R0.1 CCC#CC(=O)OCC SBB008819 [0,1,1,0,0,0|1,0,1]=4 316 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,1,1,0,0,0|1,0,0]=3 317 B8R0.1 CCCCC(=O)OCC SBB061113 [0,1,1,0,0,0|1,0,0]=3 318 B8R0.1 CCCCC(O)CCC SBB059905 [0,1,1,0,0,0|0,0,2]=4 319 B8R0.1 CCCCS(=O)CCO SBB019077 [0,1,1,0,0,0|2,0,0]=4 320 B8R0.1 CCCNC(=O)CC#N SBB049417 [0,1,1,0,0,0|1,0,1]=4 321 B8R0.1 CCCOC(=O)CCC SBB061105 [0,1,1,0,0,0|0,0,0]=2 322 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,1,1,0,0,0|1,0,0]=3 323 B8R0.1 CCOC(=O)CCCN SBB003878 [0,1,1,0,0,0|1,0,0]=3 324 B8R0.1 CCOC(=O)NCCO SBB079074 [0,1,1,0,0,0|2,0,0]=4 325 B8R0.1 O=C(CCS)OCCO SBB008479 [0,1,1,0,0,0|2,0,0]=4 326 B8R0.3 C#CC(O)C(C)CCC SBB009074 [0,1,1,0,0,0|1,0,1]=4 327 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,1,1,0,0,0|1,0,1]=4 328 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,1,1,0,0,0|1,0,0]=3 329 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,1,1,0,0,0|1,0,0]=3 330 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [0,1,1,0,0,0|2,0,0]=4 331 B8R0.3 O=CC[C@H](O)[C@H](O)CO SBB067136 [0,1,1,0,0,0|2,0,0]=4 332 B8R0.22 C(=O)N(CCC)CCC SBB008026 [0,1,1,0,0,0|1,0,0]=3 333 B8R0.22 CCCC(C=O)CCC SBB052355 [0,1,1,0,0,0|0,0,1]=3 334 B8R1.2 BrCC1CCCCO1 SBB054944 [1,1,0,0,0,0|1,0,1]=4 335 B8R1.2 BrCC1CCCNC1 SBB019055 [1,1,0,0,0,0|1,0,0]=3 336 B8R1.2 BrCC1CCOCC1 SBB054945 [1,1,0,0,0,0|1,0,1]=4 337 B8R1.2 C#CC1=CCCCC1 SBB002648 [1,1,0,0,0,0|1,0,1]=4 338 B8R1.2 C(=O)N1CCCCC1 SBB004316 [1,1,0,0,0,0|1,0,0]=3 339 B8R1.2 C(=O)N1CCNCC1 SBB027307 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.2 C(=O)N1CCOCC1 SBB007670 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.2 C=CC1CC=CCC1 SBB059892 [1,1,0,0,0,0|0,0,2]=4 342 B8R1.2 CCC1CCCCC1 SBB061162 [1,1,0,0,0,0|0,0,1]=3 343 B8R1.2 CCC1CCNCC1 SBB046379 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.2 CCN1CCCCC1 SBB061409 [1,1,0,0,0,0|1,0,1]=4 345 B8R1.2 COC1C=CCCC1 SBB060461 [1,1,0,0,0,0|0,0,1]=3 346 B8R1.2 COC1CCNCC1 SBB019028 [1,1,0,0,0,0|1,0,1]=4 347 B8R1.2 ClCC1CCCCO1 SBB040653 [1,1,0,0,0,0|1,0,1]=4 348 B8R1.2 ClCC1COCCO1 SBB046611 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.2 N#CC1=CCCCC1 SBB007873 [1,1,0,0,0,0|1,0,1]=4 350 B8R1.2 N#CC1CC=CCC1 SBB007998 [1,1,0,0,0,0|0,0,2]=4 351 B8R1.2 N#CC1CCCCC1 SBB008404 [1,1,0,0,0,0|0,0,2]=4 352 B8R1.2 N(C)C1CCCCC1 SBB004314 [1,1,0,0,0,0|0,0,1]=3 353 B8R1.2 N1CCCCC1CC SBB004312 [1,1,0,0,0,0|1,0,1]=4 354 B8R1.2 NCC1CCCCC1 SBB028193 [1,1,0,0,0,0|0,0,1]=3 355 B8R1.2 NCC1CCCCN1 SBB069774 [1,1,0,0,0,0|1,0,1]=4 356 B8R1.2 NCC1CCCCO1 SBB085471 [1,1,0,0,0,0|1,0,1]=4 357 B8R1.2 NCC1CCCOC1 SBB013821 [1,1,0,0,0,0|1,0,0]=3 358 B8R1.2 NCC1CCNCC1 SBB004305 [1,1,0,0,0,0|1,0,1]=4 359 B8R1.2 NCC1CCOCC1 SBB014254 [1,1,0,0,0,0|1,0,1]=4 360 B8R1.2 NCC1COCCO1 SBB014104 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.2 O=CC1=CCCOC1 SBB018863 [1,1,0,0,0,0|1,0,1]=4 362 B8R1.2 O=CC1CC=CCC1 SBB068360 [1,1,0,0,0,0|0,0,2]=4 363 B8R1.2 O=CC1CCNCC1 SBB052337 [1,1,0,0,0,0|1,0,1]=4 364 B8R1.2 O=CC1CCOCC1 SBB052321 [1,1,0,0,0,0|1,0,1]=4 365 B8R1.2 OCC1CC=CCC1 SBB054865 [1,1,0,0,0,0|0,0,1]=3 366 B8R1.2 OCC1CCCCC1 SBB061328 [1,1,0,0,0,0|0,0,1]=3 367 B8R1.2 OCC1CCCCN1 SBB058544 [1,1,0,0,0,0|1,0,1]=4 368 B8R1.2 OCC1CCCCO1 SBB008943 [1,1,0,0,0,0|1,0,1]=4 369 B8R1.2 OCC1CCCOC1 SBB014200 [1,1,0,0,0,0|1,0,0]=3 370 B8R1.2 OCC1CCNCC1 SBB054833 [1,1,0,0,0,0|1,0,1]=4 371 B8R1.2 ON=C1CCCCC1 SBB058381 [1,1,0,0,0,0|0,0,1]=3 372 B8R1.3 CC1CCC(C)CC1 SBB061451 [1,1,0,0,0,0|0,0,1]=3 373 B8R1.3 CC1CCC(O)CC1 SBB060479 [1,1,0,0,0,0|0,0,1]=3 374 B8R1.3 CN1CCC(=O)CC1 SBB080527 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.3 CN1CCC(Cl)CC1 SBB057204 [1,1,0,0,0,0|1,0,1]=4 376 B8R1.3 CN1CCC(N)CC1 SBB004306 [1,1,0,0,0,0|1,0,1]=4 377 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [1,1,0,0,0,0|0,0,1]=3 378 B8R1.3 N1CC(C)NCC1C SBB004303 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.3 N[C@H]1CC[C@H](N)CC1 SBB008553 [1,1,0,0,0,0|1,0,1]=4 380 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [1,1,0,0,0,0|0,0,2]=4 381 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [1,1,0,0,0,0|0,0,1]=3 382 B8R1.3 O=C1CCC(O)CC1 SBB056283 [1,1,0,0,0,0|0,0,0]=2 383 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [1,1,0,0,0,0|0,0,2]=4 384 B8R1.3 OC1CCN(C)CC1 SBB004301 [1,1,0,0,0,0|1,0,1]=4 385 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [1,1,0,0,0,0|1,0,1]=4 386 B8R1.5 CC1=C(C)CCCC1 SBB060472 [1,1,0,0,0,0|1,0,1]=4 387 B8R1.5 CC1CCCCC1=O SBB058517 [1,1,0,0,0,0|0,0,0]=2 388 B8R1.5 CC1CCCCC1N SBB061724 [1,1,0,0,0,0|0,0,1]=3 389 B8R1.5 CC1CCCCN1C SBB060747 [1,1,0,0,0,0|1,0,1]=4 390 B8R1.5 CC1CCCNC1C SBB027556 [1,1,0,0,0,0|1,0,0]=3 391 B8R1.5 CC1CNCCC1O SBB300760 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.5 CC1NCCNC1=O SBB080100 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.5 CC1SCCNC1=O SBB111924 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [1,1,0,0,0,0|1,0,1]=4 395 B8R1.5 FC1CCCCC1Br SBB089745 [1,1,0,0,0,0|1,0,1]=4 396 B8R1.5 NC1CCCNC1=O SBB012739 [1,1,0,0,0,0|1,0,0]=3 397 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [1,1,0,0,0,0|1,0,1]=4 398 B8R1.5 O=C1CCCCC1Cl SBB061548 [1,1,0,0,0,0|0,0,0]=2 399 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [1,1,0,0,0,0|0,0,2]=4 400 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [1,1,0,0,0,0|0,0,2]=4 401 B8R1.72 CC1(C)CCCNC1 SBB027276 [1,1,0,0,0,0|1,0,0]=3 402 B8R1.72 CC1(O)CCCCC1 SBB061165 [1,1,0,0,0,0|0,0,1]=3 403 B8R1.72 FC1(F)CCCNC1 SBB087232 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.72 O=S1(=O)CCNCC1 SBB010267 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.72 O=S1(=O)CCNCC1 SBB056140 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,1,0,0,1,0|2,0,0]=4 408 B8R1.1 CN1CCC(CCl)C1 SBB012983 [0,1,0,0,1,0|2,0,0]=4 409 B8R1.1 CNC1CCN(C)C1 SBB052021 [0,1,0,0,1,0|2,0,0]=4 410 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,0,1,0|1,0,0]=3 411 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,1,0,0,1,0|2,0,0]=4 412 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,0,1,0|1,0,0]=3 413 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,1,0,0,1,0|1,0,1]=4 414 B8R1.51 NC1CCS(=O)(=O)C1 SBB005601 [0,1,0,0,1,0|2,0,0]=4 415 B8R1.51 NC1CCS(=O)(=O)C1 SBB073006 [0,1,0,0,1,0|2,0,0]=4 416 B8R1.51 O=S1(=O)CCC(Br)C1 SBB019024 [0,1,0,0,1,0|2,0,0]=4 417 B8R1.51 O=S1(=O)CCC(Cl)C1 SBB041213 [0,1,0,0,1,0|2,0,0]=4 418 B8R1.51 O=S1(=O)CCC(O)C1 SBB001886 [0,1,0,0,1,0|2,0,0]=4 419 B8R1.11 CN1CCCC1CO SBB108833 [0,1,0,0,1,0|2,0,0]=4 420 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,1,0,0,1,0|1,0,0]=3 421 B10R1.8 CCN1CC(C)CC(O)C1 SBB002881 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.10 CC1CCCN(CCN)C1 SBB007291 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.10 CNCC1CCCN(C)C1 SBB086259 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.113 CC1CCCC(C(=O)O)N1 SBB080591 [0,2,0,0,0,0|1,0,1]=4 425 B10R1.113 CC1CCCN(C(=N)N)C1 SBB302671 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.113 CN1CCC=C(C(=O)O)C1 SBB053325 [0,2,0,0,0,0|1,0,1]=4 427 B10R1.113 CN1CCCC(C(=O)O)C1 SBB003754 [0,2,0,0,0,0|1,0,1]=4 428 B10R1.113 CN1CCCC(C(=O)O)C1 SBB085537 [0,2,0,0,0,0|1,0,1]=4 429 B10R1.172 CCN1CCCC(CN)C1 SBB012843 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.22 CC1CC(=O)CN(C)C1C SBB002863 [0,2,0,0,0,0|1,0,0]=3 431 B10R1.22 CC1CC(O)C(C)N(C)C1 SBB002864 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.22 CC1CC(O)CN(C)C1C SBB002865 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.119 CC1C(=O)CCN(C)C1C SBB002408 [0,2,0,0,0,0|1,0,0]=3 434 B10R1.119 CC1C(O)CCN(C)C1C SBB002818 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 SBB058429 [0,2,0,0,0,0|0,0,2]=4 436 B10R1.329 CC1(C)CC(=O)C=C(N)C1 SBB082967 [0,2,0,0,0,0|0,0,2]=4 437 B10R1.329 CC1(C)CC(=O)CC(=O)C1 SBB058731 [0,2,0,0,0,0|0,0,1]=3 438 B10R1.329 CC1CC(N)CC(C)(C)C1 SBB013727 [0,2,0,0,0,0|1,0,1]=4 439 B10R1.25 CC1=CC(C)C(C=O)CC1 SBB017127 [0,2,0,0,0,0|1,0,1]=4 440 B10R1.63 CC1CNC(C)(C)C(=O)C1 SBB002833 [0,2,0,0,0,0|1,0,0]=3 441 B10R1.118 CC1CN(C)C(C)CC1O SBB002819 [0,2,0,0,0,0|2,0,0]=4 442 B8R1.34 O=C(O)CC1CCC1 SBB050298 [0,0,1,1,0,0|1,0,0]=3 443 B8R1.40 O=C(CCl)NC1CC1 SBB016595 [0,0,1,1,0,0|2,0,0]=4 444 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,0,1,1,0,0|2,0,0]=4 445 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,0,1,1,0,0|2,0,0]=4 446 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,0,1,1,0,0|2,0,0]=4 447 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,0,1,1,0,0|1,0,0]=3 448 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,0,1,1,0,0|2,0,0]=4 449 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,0,1,1,0,0|2,0,0]=4 450 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,0,1,1,0,0|2,0,0]=4 451 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,0,1,1,0,0|2,0,0]=4 452 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,0,1,1,0,0|2,0,0]=4 453 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,0,1,1,0,0|2,0,0]=4 454 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,1,1,0,0|1,0,1]=4 455 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,1,1,0,0|0,0,0]=2 456 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,1,1,0,0|1,0,0]=3 457 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,1,1,0,0|2,0,0]=4 458 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,1,1,0,0|0,0,2]=4 459 B8R1.8 C=CCC1CCCC1 SBB008872 [0,0,1,1,0,0|1,0,0]=3 460 B8R1.8 NCCC1CCCC1 SBB072011 [0,0,1,1,0,0|1,0,1]=4 461 B8R1.8 O=C=NC1CCCC1 SBB046723 [0,0,1,1,0,0|1,0,1]=4 462 B8R1.8 OCCC1CCCC1 SBB008459 [0,0,1,1,0,0|0,0,2]=4 463 B8R2.25 C1CCC2OC2C1 SBB061377 [1,0,0,1,0,0|0,0,2]=4 464 B8R2.34 C1CC2CC1CN2 SBB013021 [1,0,0,1,0,0|1,0,0]=3 465 B8R2.34 C1OC2CNC1C2 SBB017544 [1,0,0,1,0,0|2,0,0]=4 466 B10R2.178 O=C1CCC2CO[C@@H]1O2 SBB014281 [0,0,0,1,0,1|2,0,0]=4 467 B10R2.62 O=C1CN2CCC1CC2 SBB056219 [0,1,0,1,0,0|1,0,0]=3 468 B10R2.62 O=C1CN2CCC1CC2 SBB080572 [0,1,0,1,0,0|1,0,0]=3 469 B10R2.99 CCC1CC2CCC1C2 SBB060621 [0,1,0,1,0,0|1,0,1]=4 470 B10R2.99 NCC1CC2CCC1C2 SBB010246 [0,1,0,1,0,0|1,0,1]=4 471 B10R2.99 OCC1CC2CCC1C2 SBB008210 [0,1,0,1,0,0|0,0,2]=4 472 B10R2.99 O\N=C1/CC2CCC1C2 SBB038199 [0,1,0,1,0,0|0,0,1]=3 473 B10R2.25 O=C1C2CCC(C2)C1Cl SBB061651 [0,1,0,1,0,0|0,0,0]=2 474 B10R2.253 CC12CS(=O)(=O)CC1O2 SBB043900 [0,1,0,1,0,0|2,0,0]=4 475 B6R0.3 CC(C)C(=O)NN SBB030401 [0,0,1,0,1,0|2,0,0]=4 476 B6R0.3 CC(CN)C(=O)O SBB061656 [0,0,1,0,1,0|2,0,0]=4 477 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,0,1,0,1,0|1,0,1]=4 478 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,0,1,0,1,0|2,0,0]=4 479 B6R0.3 CCC(C)C(C)C SBB061452 [0,0,1,0,1,0|1,0,1]=4 480 B6R0.3 CCC(N)C(N)=O SBB017505 [0,0,1,0,1,0|2,0,0]=4 481 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,0,1,0,1,0|2,0,0]=4 482 B6R0.3 CN(C)C(=O)CCl SBB038711 [0,0,1,0,1,0|2,0,0]=4 483 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,0,1,0,1,0|2,0,0]=4 484 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,0,1,0,1,0|2,0,0]=4 485 B6R0.3 COC(=O)C(C)C SBB061111 [0,0,1,0,1,0|1,0,0]=3 486 B6R0.3 COC(=O)C(C)N SBB007634 [0,0,1,0,1,0|2,0,0]=4 487 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,0,1,0|1,0,0]=3 488 B6R1.2 F[C@H]1CCNC1 SBB085616 [1,0,0,0,1,0|2,0,0]=4 489 B6R1.2 N1CCC(N)C1 SBB027337 [1,0,0,0,1,0|2,0,0]=4 490 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,0,1,0|1,0,0]=3 491 B6R1.2 NC1CCNC1 SBB003982 [1,0,0,0,1,0|2,0,0]=4 492 B6R1.2 NN1CCCC1 SBB066760 [1,0,0,0,1,0|2,0,0]=4 493 B6R1.2 O=C1CCCC1 SBB040835 [1,0,0,0,1,0|0,0,0]=2 494 B6R1.2 O=C1CCCN1 SBB060296 [1,0,0,0,1,0|1,0,0]=3 495 B6R1.2 O=C1CCNN1 SBB007977 [1,0,0,0,1,0|2,0,0]=4 496 B6R1.2 O=C1CCSC1 SBB007947 [1,0,0,0,1,0|1,0,0]=3 497 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,0,1,0|2,0,0]=4 498 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,0,1,0|2,0,0]=4 499 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,0,1,0|2,0,0]=4 500 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,0,1,0|2,0,0]=4