0 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CC(CN)C(=O)O CDS014136 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CC(CS)C(=O)O CDS000283 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CC(O)C(=O)NN PH018680 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CCC(C)C(=O)N S799637 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 CCC(C)[N+](=O)[O-] S919179 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.3 CCC(N)C(=O)N S784044 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 CCC(O)C(=O)O CDS000492 [0,0,0,0,0,0|0,0,2]=2 11 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [0,0,0,0,0,0|0,0,3]=3 12 B6R0.3 CN(C)C(=O)CBr CDS023710 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.3 CN(C)C(=O)CO CDS023758 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.3 CNC(=O)[C@H](C)N CDS020776 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 CNC(C)C(=O)N CBR00065 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 COC(=O)C(C)N S378909 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 NCC(N)C(=O)O R278769 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 O=C(O)C(=O)O[Cs] S366196 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CCNC(=N)N PH018983 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CCOC(=S)N PH003667 [1,0,0,0,0,0|2,1,0]=4 24 B5R0.1 CCOC(=S)[S-] R464988 [1,0,0,0,0,0|1,2,0]=4 25 B5R0.1 CCOC(=S)[S-] R533475 [1,0,0,0,0,0|1,2,0]=4 26 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 O=C([O-])/C=C\Cl T234753 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.3 Br/C=C(\Br)/CBr S53202 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.3 C(=O)C(S)CO S612626 [1,0,0,0,0,0|1,1,1]=4 36 B5R0.3 C/C(=C\Br)/CO S881295 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.3 C/C(=N\O)/CS R262161 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.3 CCC(=O)CO R277614 [1,0,0,0,0,0|0,0,1]=2 39 B5R0.3 CNC(=O)CCl OTV000964 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 CNC(=O)NN CDS019843 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.3 Cl/C=C(/Cl)\CCl PH008783 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.5 C=C(C)C(=O)C CDS000556 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.5 C=C(C)C(=O)[O-] S457930 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.5 C=C(C)C(=O)[O-] S460389 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.5 C=C(C)C(=O)[O-] S461806 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.5 C=C(C)C(C)O T277479 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.5 CC(=O)C(C)F CDS002853 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.5 CC(O)C(=O)[O-] S933260 [1,0,0,0,0,0|0,0,3]=4 49 B5R0.5 O=C(O)C(=O)O S647829 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.5 C#CC[C@@H](N)C(=O)O CDS005053 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.5 CC(=O)N(C)CCN PH019599 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.5 CC(=O)N(C)CCO CBR01454 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.5 CCCC(=C(C)C)C R289469 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.5 CCN[C@@H](C)C(=O)N CDS021310 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.5 CCOC(=O)C(Br)Br PH011431 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.5 CCOC(=O)C(C)N CDS015013 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.5 CCOC(=O)N(C)C PH001938 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.5 CCOC(=O)N(C)N PH007944 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.5 CCOC(C)C(=O)O CBR01494 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.5 CCSC(C)C(=O)O CBR01403 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.5 CN(C)C(=O)CCN CBR00920 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.5 CNCC(=O)N(C)C CDS007544 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.5 CNCC(C)C(=O)O CBR01429 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.5 CO/C=C(\C)/C(=O)O PH008422 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.5 COCC(=O)C(C)C CDS024045 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.5 CSCC(=O)N(C)C PH007257 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.5 CSC[C@@H](C)C(=O)O PH009560 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.5 NCCC(N)C(=O)O PH018181 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.10 CCC(C)/C(=N/O)/N CBR01424 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.10 CNC(C)C(=O)OC CBR01417 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.10 COC(=O)C(=O)NN PH011621 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.10 COC(=O)[C@H](N)CS PH013124 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.13 CC(Br)(CBr)C(=O)O S881317 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.13 CCC(C)(C)C(=O)Cl CDS001197 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.13 CCC(C)(O)C(=O)C PH007065 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.13 COC(C)(C)C(=O)O CDS009439 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.13 C[C@](O)(CBr)C(=O)O PH008021 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.14 CCC(N)P(=O)(O)O R426547 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.15 CC(=O)/C(=N/O)/CCl PH000849 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.15 CC/C(=N/O)/C(=O)O S283916 [0,1,0,0,0,0|0,0,1]=2 86 B7R0.15 CCC(CC)C(=O)C PH016168 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.15 CCC(CC)C(=O)N S378488 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.15 CCC(NN)C(=O)O PH009006 [0,1,0,0,0,0|1,0,1]=3 89 B7R0.15 CCC(NO)C(=O)O S283789 [0,1,0,0,0,0|0,0,2]=3 90 B7R0.15 CCN(CC)C(=O)[NH-] S586188 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.16 CC(N)C(=O)N(C)C CBR01336 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.16 CC(O)C(=O)N(C)C CDS021721 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.16 CC(O)C(N)C(=O)N S781339 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl S893994 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.16 O=C(O)C(F)C(Cl)Cl S28488 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [0,1,0,0,0,0|2,0,1]=4 100 B7R1.4 CC1=C(CCC1)Br T256854 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.4 CN1CCNC1=O CDS006142 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.4 NC1CCOC1=O CDS012715 [0,0,0,1,0,0|1,0,1]=3 103 B7R1.4 NC1CCSC1=O S784036 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.4 NN1CCOC1=O S462624 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.12 CC1CC1C(=O)N EME00444 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.15 CC1NC(=O)C1C T173835 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.15 CC1NC(=O)C1C T173843 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.18 NC(=O)C1CCC1 S680745 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.18 O=C(O)C1CCN1 CDS008419 [0,0,0,1,0,0|1,0,1]=3 112 B7R1.22 CCC(=O)C1CC1 CDS023679 [0,0,0,1,0,0|2,0,1]=4 113 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,0,0,0,0,1|2,0,1]=4 114 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,0,0,0,0,1|2,0,1]=4 115 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,0,0,0,0,1|1,0,1]=3 116 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,0,0,0,0,1|1,0,1]=3 117 B7R0.2 CNC(=O)CC(=N)N CBR01542 [0,0,0,0,0,1|3,0,0]=4 118 B7R0.2 CNC(=O)NC(=O)C S411868 [0,0,0,0,0,1|2,0,0]=3 119 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,0,0,0,0,1|3,0,0]=4 120 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,0,0,0,0,1|2,0,1]=4 121 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,0,0,0,0,1|1,0,0]=2 122 B7R0.2 COC(=O)NC(=O)N S876178 [0,0,0,0,0,1|2,0,0]=3 123 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,0,0,0,0,1|3,0,0]=4 124 B7R0.2 NC(=O)NC(=O)CCl PH011412 [0,0,0,0,0,1|2,0,0]=3 125 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,0,0,0,0,1|2,0,1]=4 126 B4R0.1 C(=O)C(=O)[O-] S573140 [2,0,0,0,0,0|0,0,1]=3 127 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 CCB(O)O CDS003542 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|0,0,1]=3 132 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|1,1,0]=4 133 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.1 O=C([O-])CO CDS000626 [2,0,0,0,0,0|1,0,1]=4 137 B4R0.2 OC/C=C/Br S880973 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.1 CC/C=C(\C)/CC R289574 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.1 CC/C=C(\C)/CC R289582 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.1 CC/C=C(\C)/CO S888702 [1,1,0,0,0,0|1,0,0]=3 141 B6R0.1 CCNC(=O)CBr CBR01984 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.1 CCNC(=O)CCl TMT00299 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.1 CCOC(=O)NC PH010865 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.1 CCOC(=O)N[O-] S859273 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.1 CCSC(=O)CC CDS001498 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.1 CNCC(=O)OC PH006931 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.1 COC(=O)/C=C\I SYX00331 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|0,0,1]=3 149 B6R0.2 CC(=CC(C)C)C R289302 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.2 CC(=O)NC(C)C S378992 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.2 CC(C)CC(=O)[O-] S693154 [1,1,0,0,0,0|0,0,2]=4 152 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|0,0,1]=3 153 B6R0.2 O=C(O)C=C(Cl)Cl T295175 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.4 CC(=O)OCCS S363049 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.4 CCC#CC(=O)C CDS000006 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.4 CCNCC(=O)N S877379 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.4 CCNCC(=O)N S986194 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|0,0,1]=3 164 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.4 CSCCC(=O)Cl CDS000414 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.4 N#CCCC(=O)O CDS009069 [1,1,0,0,0,0|0,0,2]=4 167 B6R0.4 NC(=O)CCCCl OTV000845 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.4 NC(=O)NCCCl CDS000493 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|0,0,1]=3 170 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,1,0,0,0,1|1,0,1]=4 171 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [0,1,0,0,0,1|1,0,1]=4 172 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [0,1,0,0,0,1|1,0,1]=4 173 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,1,0,0,0,1|1,0,0]=3 174 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,1,0,0,0,1|1,0,1]=4 175 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [0,1,0,0,0,1|1,0,0]=3 176 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,1,0,0,0,1|1,0,0]=3 177 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,1,0,0,0,1|1,0,0]=3 178 B8R0.5 CCOC(=O)N[N+](=O)[O-] R580899 [0,1,0,0,0,1|1,0,1]=4 179 B8R0.16 CCN(CC)CC(=O)O PH011958 [0,1,0,0,0,1|2,0,0]=4 180 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,1,0,0,0,1|2,0,0]=4 181 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,1,0,0,0,1|2,0,0]=4 182 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,1,0,0,0,1|1,0,0]=3 183 B8R0.23 CC(=O)/C(=C/C(=O)O)/C S548960 [0,1,0,0,0,1|1,0,1]=4 184 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,1,0,0,0,1|1,0,0]=3 185 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [0,1,0,0,0,1|1,0,1]=4 186 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [0,1,0,0,0,1|1,0,1]=4 187 B8R0.23 CN(C)C(=O)CC(=O)O CDS022231 [0,1,0,0,0,1|1,0,0]=3 188 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,1,0,0,0,1|0,0,2]=4 189 B8R0.3 C#CC(O)C(=O)OCC CDS000110 [0,2,0,0,0,0|1,0,1]=4 190 B8R0.3 C(=C(\C)/C(=O)OC)\CCl T297852 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [0,2,0,0,0,0|1,0,0]=3 194 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.3 CCOC(=O)C(F)CC S431370 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,2,0,0,0,0|1,0,1]=4 197 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,2,0,0,0,0|1,0,0]=3 198 B8R0.8 CSCCC(O)C(=O)O PH000120 [0,2,0,0,0,0|0,0,2]=4 199 B8R0.8 NCCCC(N)C(=O)O S594881 [0,2,0,0,0,0|1,0,1]=4 200 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,2,0,0,0,0|1,0,1]=4 201 B8R0.12 CSCC(C)(C)C(=O)O PH007648 [0,2,0,0,0,0|1,0,1]=4 202 B8R0.14 CCNC(=O)C(C)(C)O S536970 [0,2,0,0,0,0|1,0,1]=4 203 B8R0.20 C(=C(\CBr)/C(=O)OC)\C T262250 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.20 CCC(CC)C(=O)OC S240257 [0,2,0,0,0,0|1,0,1]=4 205 B8R0.20 CCC(NC)C(=O)OC CBR01434 [0,2,0,0,0,0|1,0,1]=4 206 B8R0.20 COC(=O)/C(=N/O)/C#N S545007 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.20 [C-]#[N+]C(CC)C(=O)OC PH015976 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.37 CC(Br)C(C)(Br)C(=O)O T305987 [0,2,0,0,0,0|1,0,1]=4 209 B8R0.27 CC(C)(C)C(=O)C(=O)O CDS001578 [0,2,0,0,0,0|0,0,0]=2 210 B8R0.27 CC(C)(S)C(N)C(=O)O S787019 [0,2,0,0,0,0|1,0,1]=4 211 B8R0.18 CC(=C(C#N)C(=O)O)C S112283 [0,2,0,0,0,0|1,0,1]=4 212 B8R0.18 CC(=O)/C(=N\O)/C(C)C PH009501 [0,2,0,0,0,0|1,0,1]=4 213 B8R0.18 CCC(C(=O)N)C(=O)N PH009400 [0,2,0,0,0,0|1,0,1]=4 214 B6R1.2 O=C1NCCS1 CDS011623 [1,0,0,1,0,0|1,1,0]=4 215 B6R1.2 P1(=O)OCCO1 S428957 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.11 NC(=O)C1CC1 S455989 [1,0,0,1,0,0|1,0,1]=4 217 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,1,0,0|1,0,1]=4 218 B6R1.4 O=C1CCC1=O S869309 [1,0,0,1,0,0|0,0,0]=2 219 B8R1.1 CCC1=NOC(=N1)O CBR01637 [0,0,0,1,0,1|1,0,1]=4 220 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,0,0,1,0,1|1,0,1]=4 221 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,0,1,0,1|2,0,0]=4 222 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,0,0,1,0,1|2,0,0]=4 223 B8R1.4 NC1=NC(=O)CCS1 PH012053 [0,0,0,1,0,1|1,1,0]=4 224 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [0,0,0,1,0,1|2,0,0]=4 225 B8R1.4 O=C1CSCC(=O)N1 R305316 [0,0,0,1,0,1|2,0,0]=4 226 B8R1.4 O=C1NCNC(=O)N1 S347531 [0,0,0,1,0,1|2,0,0]=4 227 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,0,0,1,0,1|1,0,1]=4 228 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,0,0,1,0,1|1,0,0]=3 229 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,1,0,1|1,0,1]=4 230 B8R1.18 CC1SC(=NC1=O)N PH008402 [0,0,0,1,0,1|1,1,0]=4 231 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,0,0,1,0,1|1,0,1]=4 232 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [0,0,0,1,0,1|2,0,0]=4 233 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,0,0,1,0,1|1,0,0]=3 234 B8R1.5 N1CCNC(=O)C1=O S15025 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.23 O=C(O)C1CC(C1)F CDS023094 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.23 O=C(O)C1CC(C1)O CDS022840 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.78 CC1(COC1)C(=O)O SYX00377 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.11 O=C1CCCN1CO S362557 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.38 COC(=O)C1CCC1 S851957 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.39 COC(=O)C1(CC1)N CDS020064 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.63 NCC1(CC1)C(=O)O CDS015451 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.63 O=C(O)C1(CC1)CO CDS024235 [0,1,0,1,0,0|0,0,2]=4 246 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,1,0,1,0,0|1,0,1]=4 247 B8R0.9 BC(=O)NCC(=O)OC R277398 [0,0,0,0,0,2|2,0,0]=4 248 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,0,0,0,0,2|1,0,0]=3 249 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,0,0,0,0,2|1,0,0]=3 250 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [0,0,0,0,0,2|2,0,0]=4 251 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,0,0,0,0,2|0,0,0]=2 252 B8R0.9 CCC(=O)COC(=O)C S362409 [0,0,0,0,0,2|1,0,0]=3 253 B8R0.9 CCC(=O)NC=C(Cl)Cl S196908 [0,0,0,0,0,2|2,0,0]=4 254 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,0,0,0,0,2|2,0,0]=4 255 B8R0.9 COC(=O)CNC(=O)C S785687 [0,0,0,0,0,2|2,0,0]=4 256 B8R0.9 COC(=O)NCC(=O)O CDS020780 [0,0,0,0,0,2|1,0,0]=3 257 B8R0.9 NCC(=O)NCC(=O)O S456829 [0,0,0,0,0,2|1,0,0]=3 258 B8R0.9 O=C(O)CNC(=O)CCl S451770 [0,0,0,0,0,2|1,0,0]=3