0 B6R0.2 C=C(C)CC(C)C R289256 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 CC(=CB(O)O)C CDS007838 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=CC(C)C)C R289302 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.2 CC(=CN(C)C)C S365297 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 CC(=N)CC(=O)C S366234 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.2 CC(=O)NC(C)C S378992 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.2 CC(=O)SC(=O)C R425621 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(=S)CC(=O)N S704164 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(C)CC(=O)[O-] S693154 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.2 CC(C)OC(=S)N PH008713 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.2 CC(Cl)CC(=O)O S419621 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.2 CN(C)CC(=O)Cl CDS013657 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 N=C(N)NC(=O)N S414786 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.2 N=C(N)NC(=O)N S414980 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.2 NC(=O)CC(=O)O S937436 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.2 O=C(O)C=C(Cl)Cl T295175 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.2 O=C([O-])C=[N+]([O-])[O-] L160970 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 C(=O)CC(C)O CDS019977 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 C(=O)NC(C)C S378380 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 C=C(C)CSC S866024 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 C=COC(=O)C S458201 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 CC(C)C=NO S388378 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CNCC(C)C CDS000422 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 O=C([O-])/C=C\Cl T234753 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.2 C=C(CO)CC(C)C T296279 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.2 C=CC(C)OC(=O)C S413755 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.2 CC(=O)NC(C)C=O PH018360 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.2 CC(C)CC(=O)C#N R260371 [0,1,0,0,0,0|0,0,3]=4 35 B7R0.2 CC(C)OC(=O)CS S593931 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.2 CC(C)OC(=O)NF PH009513 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,1,0,0,0,0|1,0,1]=3 38 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.2 CN(C)CC(=O)NN CDS000357 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 CNC(=O)CC(=N)N CBR01542 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.2 CNC(C)CC(=O)N CBR01535 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.2 COC(=O)CC(C)Cl S559458 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.2 COC(=O)NC(=O)N S876178 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 COC(=O)NC(C)C PH006940 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 NC(=O)NC(=O)CCl PH011412 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.9 C/C(=C\S(=O)(=O)C)/I S779059 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.9 CC(=O)CC(C)(C)S CDS009189 [0,1,0,0,0,0|0,0,2]=3 54 B7R0.9 CC(C)NS(=O)(=O)C PH007925 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.9 CN(C)NS(=O)(=O)C PH009301 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.16 CC(=O)N(C)C(=O)C S511196 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.16 CC(N)C(=O)N(C)C CBR01336 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.16 CC(O)C(=O)N(C)C CDS021721 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.16 NC(=O)C(=C(Cl)Cl)Cl PH002333 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl S893994 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [0,1,0,0,0,0|1,0,2]=4 64 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.2 CC1=NOC(=N1)C PH016136 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.2 CC1COC(=O)C1 PH007953 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.2 CC1COC(=O)N1 CBR01603 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.2 CC1OC(=O)CS1 PH007278 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,0,0,1,0,0|1,0,0]=2 72 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.12 CC1CC1C(=O)N EME00444 [0,0,0,1,0,0|1,0,2]=4 74 B7R1.20 CC(=O)CC1CC1 PH014420 [0,0,0,1,0,0|0,0,2]=3 75 B7R1.20 O=C(O)CC1CC1 CDS000888 [0,0,0,1,0,0|1,0,2]=4 76 B5R0.5 C=C(C)C(=O)C CDS000556 [0,0,0,0,1,0|0,0,1]=2 77 B5R0.5 C=C(C)C(=O)[O-] S457930 [0,0,0,0,1,0|1,0,1]=3 78 B5R0.5 C=C(C)C(=O)[O-] S460389 [0,0,0,0,1,0|1,0,1]=3 79 B5R0.5 C=C(C)C(=O)[O-] S461806 [0,0,0,0,1,0|1,0,1]=3 80 B5R0.5 C=C(C)C(C)O T277479 [0,0,0,0,1,0|0,0,3]=4 81 B5R0.5 CC(=O)C(C)F CDS002853 [0,0,0,0,1,0|1,0,1]=3 82 B5R0.5 CC(=S)N(C)C S622877 [0,0,0,0,1,0|1,1,0]=3 83 B5R0.5 CC(C)C(=N)N CDS015019 [0,0,0,0,1,0|2,0,1]=4 84 B5R0.5 CC(C)C(=S)N PH006913 [0,0,0,0,1,0|1,1,1]=4 85 B5R0.5 CC(O)C(=O)[O-] S933260 [0,0,0,0,1,0|2,0,1]=4 86 B5R0.5 O=C(O)C(=O)O S647829 [0,0,0,0,1,0|3,0,0]=4 87 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [0,0,0,0,0,1|3,0,0]=4 88 B7R0.6 C=C(C)COC(=O)N S352055 [0,0,0,0,0,1|1,0,2]=4 89 B7R0.6 C=C(Cl)CSC(=O)C SYX00321 [0,0,0,0,0,1|1,0,2]=4 90 B7R0.6 CC(=NNC(=O)N)C S449784 [0,0,0,0,0,1|2,0,0]=3 91 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [0,0,0,0,0,1|1,0,1]=3 92 B7R0.6 CC(C)/C=C/C(C)C R289566 [0,0,0,0,0,1|1,0,2]=4 93 B7R0.6 CC(C)CCC(=O)Cl PH015411 [0,0,0,0,0,1|1,0,2]=4 94 B7R0.6 CC(C)COC(=O)N S362840 [0,0,0,0,0,1|1,0,2]=4 95 B7R0.6 CC(C)SCC(=O)O OTV000315 [0,0,0,0,0,1|1,0,2]=4 96 B7R0.6 CN(C)CCC(=O)O CDS000423 [0,0,0,0,0,1|2,0,1]=4 97 B7R0.6 CN(C)CCC(=O)O CDS013778 [0,0,0,0,0,1|2,0,1]=4 98 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [0,0,0,0,0,1|2,0,1]=4 99 B4R0.1 C(=O)C(=O)[O-] S573140 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.1 C(=O)CC(C)OC T278319 [1,1,0,0,0,0|0,0,2]=4 105 B6R0.1 C/C=C/[C@H](C)CC R289493 [1,1,0,0,0,0|0,0,1]=3 106 B6R0.1 C/C=C\C(C)CC R289485 [1,1,0,0,0,0|0,0,1]=3 107 B6R0.1 CC/C=C(\C)/CC R289574 [1,1,0,0,0,0|0,0,1]=3 108 B6R0.1 CC/C=C(\C)/CC R289582 [1,1,0,0,0,0|0,0,1]=3 109 B6R0.1 CC/C=C(\C)/CO S888702 [1,1,0,0,0,0|0,0,1]=3 110 B6R0.1 CCC(=O)COC CDS024044 [1,1,0,0,0,0|1,0,1]=4 111 B6R0.1 CCC(C)NC=O S620394 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.1 CCNC(=O)CBr CBR01984 [1,1,0,0,0,0|1,0,1]=4 113 B6R0.1 CCNC(=O)CCl TMT00299 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.1 CCOC(=O)NC PH010865 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.1 CCSC(=O)CC CDS001498 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.1 CNCC(=O)NC CBR00235 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.1 CNCC(=O)OC PH006931 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.1 COC(=O)/C=C\I SYX00331 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.3 C(=O)C(=C(Cl)Cl)Cl S893986 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.4 C#C/C=C/C(C)C T269360 [1,1,0,0,0,0|0,0,2]=4 125 B6R0.4 C=CCNC(=O)C EME00415 [1,1,0,0,0,0|0,0,2]=4 126 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.4 CC(=O)OCCS S363049 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,1,0,0,0,0|1,0,0]=3 129 B6R0.4 CCC#CC(=O)C CDS000006 [1,1,0,0,0,0|0,0,2]=4 130 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|0,0,1]=3 131 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|0,0,2]=4 132 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|0,0,2]=4 133 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.5 C(=C\C(C)(C)C)\C S411922 [1,1,0,0,0,0|0,0,1]=3 135 B6R0.5 C(=C\C(C)(C)C)\C S437441 [1,1,0,0,0,0|0,0,1]=3 136 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [0,1,0,0,1,0|0,0,1]=3 137 B6R0.7 CC(=O)C(C)(C)Cl S304212 [0,1,0,0,1,0|0,0,1]=3 138 B6R0.7 CC(C)(N)C(=O)N CBR00900 [0,1,0,0,1,0|1,0,1]=4 139 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [0,1,0,0,1,0|1,0,1]=4 140 B6R0.7 CN(C)S(=O)(=O)C S616672 [0,1,0,0,1,0|2,0,0]=4 141 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,1,0,0,0,1|2,0,0]=4 142 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,1,0,0,0,1|2,0,0]=4 143 B8R0.9 C=C(C)CNC(=O)CCl PH008781 [0,1,0,0,0,1|0,0,2]=4 144 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [0,1,0,0,0,1|1,0,1]=4 145 B8R0.9 CC(=O)SCC(C)CCl S344397 [0,1,0,0,0,1|0,0,2]=4 146 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,1,0,0,0,1|0,0,2]=4 147 B8R0.9 CCC(=O)COC(=O)C S362409 [0,1,0,0,0,1|1,0,1]=4 148 B8R0.9 CCC(=O)NC=C(Cl)Cl S196908 [0,1,0,0,0,1|2,0,0]=4 149 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,1,0,0,0,1|1,0,1]=4 150 B8R0.9 COC(=O)CNC(=O)C S785687 [0,1,0,0,0,1|1,0,1]=4 151 B8R0.9 CSC(=S)NNC(=O)C S986798 [0,1,0,0,0,1|2,0,0]=4 152 B8R0.23 C/C(=C\C(C)C)/C(=O)O CDS001260 [0,1,0,0,0,1|1,0,1]=4 153 B8R0.23 CC(=O)/C(=C/C(=O)O)/C S548960 [0,1,0,0,0,1|2,0,0]=4 154 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,1,0,0,0,1|0,0,1]=3 155 B8R0.23 CC(=O)ON(C)C(=O)C S295159 [0,1,0,0,0,1|2,0,0]=4 156 B8R0.23 CN(C)C(=O)CC(=O)O CDS022231 [0,1,0,0,0,1|2,0,0]=4 157 B8R0.29 CC(=O)CC[N+](C)(C)C S915017 [0,1,0,0,0,1|1,0,1]=4 158 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,2,0,0,0,0|1,0,1]=4 159 B8R0.2 COC(=O)C(=O)C(C)Br SYX00008 [0,2,0,0,0,0|1,0,1]=4 160 B8R0.2 COC(=O)C(O)C(C)C CDS021214 [0,2,0,0,0,0|0,0,2]=4 161 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [0,2,0,0,0,0|1,0,1]=4 162 B8R0.5 CC(C)OC(=O)CC#N S615137 [0,2,0,0,0,0|1,0,1]=4 163 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [0,2,0,0,0,0|1,0,0]=3 164 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,2,0,0,0,0|1,0,1]=4 165 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,2,0,0,0,0|1,0,1]=4 167 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,2,0,0,0,0|2,0,0]=4 168 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,2,0,0,0,0|1,0,1]=4 169 B8R0.16 CC(=O)OC(CCl)CCl PH007003 [0,2,0,0,0,0|1,0,1]=4 170 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,2,0,0,0,0|1,0,1]=4 171 B8R0.19 CCC(C)NC(=O)NC S724750 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,2,0,0,0,0|0,0,0]=2 173 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,2,0,0,0,0|0,0,0]=2 174 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.24 CC(C)(C)NC(=O)CI PH000979 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.24 CC(C)(C)OC(=O)CN T243442 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [0,2,0,0,0,0|1,0,1]=4 178 B8R0.34 CC(=O)NC(C)(C)C#N PH001493 [0,2,0,0,0,0|1,0,1]=4 179 B8R0.34 CCC(C)(C)OC(=O)C S851981 [0,2,0,0,0,0|1,0,1]=4 180 B8R0.34 COC(C)(C)CC(=O)C CDS001275 [0,2,0,0,0,0|0,0,2]=4 181 B8R0.27 C=C(C(=O)C)[Si](C)(C)C T227439 [0,2,0,0,0,0|0,1,0]=3 182 B8R0.27 CC(C)(C)C(=O)C(=O)O CDS001578 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.18 CC(=C(C#N)C(=O)O)C S112283 [0,2,0,0,0,0|1,0,0]=3 184 B8R0.18 CC(=O)/C(=N\O)/C(C)C PH009501 [0,2,0,0,0,0|0,0,1]=3 185 B8R0.18 CCC(C(=O)C)C(C)C S373559 [0,2,0,0,0,0|0,0,2]=4 186 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,1,0,0|2,0,0]=4 187 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,1,0,0|0,0,2]=4 188 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,1,0,0|0,0,2]=4 189 B6R1.4 CC1CCC1=O CDS021461 [0,0,0,1,1,0|0,0,1]=3 190 B6R1.4 O=C1CCC1=O S869309 [0,0,0,1,1,0|1,0,0]=3 191 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,0,0,1,0,1|1,0,1]=4 192 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,0,0,1,0,1|0,0,2]=4 193 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,0,0,1,0,1|2,0,0]=4 194 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,0,0,1,0,1|1,0,0]=3 195 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [0,0,0,1,0,1|1,0,1]=4 196 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,1,0,0|0,1,1]=4 197 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,1,0,1,0,0|0,0,2]=4 204 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,1,0,0|0,0,1]=3 205 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,1,0,0|1,0,0]=3 206 B8R1.4 NC1=NC(=O)CCS1 PH012053 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.4 O=C1CSCC(=O)N1 R305316 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,1,0,0|1,0,1]=4 213 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,1,0,0|1,0,1]=4 217 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.83 COC(=O)C1CC1C EME00059 [0,1,0,1,0,0|0,0,2]=4 220 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.50 CC1=NNC(=C1N)C L203173 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.50 CC1=NNC(=C1O)C S720429 [0,1,0,1,0,0|2,0,0]=4 223 B8R0.28 C=C(C)CCOC(=O)C S881171 [0,0,0,0,0,2|0,0,2]=4 224 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [0,0,0,0,0,2|0,0,2]=4 225 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,0,0,0,0,2|0,0,0]=2 226 B8R0.28 CC(=O)CCCC(C)C CDS000306 [0,0,0,0,0,2|0,0,2]=4 227 B8R0.28 CC(=O)CCCN(C)C PH014778 [0,0,0,0,0,2|1,0,1]=4 228 B8R0.28 CC(=O)CCOC(=O)C PH003361 [0,0,0,0,0,2|1,0,1]=4 229 B8R0.28 CC(=O)COCC(=O)C S38912 [0,0,0,0,0,2|1,0,1]=4 230 B8R0.28 CC(=O)CSCC(C)C EME00074 [0,0,0,0,0,2|0,0,2]=4 231 B8R0.28 CC(=O)NCNC(=O)C PH003004 [0,0,0,0,0,2|1,0,1]=4 232 B8R0.28 CC(=O)OCCN(C)C PH011981 [0,0,0,0,0,2|1,0,1]=4 233 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [0,0,0,0,0,2|0,0,2]=4