0 B6R0.3 C#CC(O)C(C)C CDS001233 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.3 C=CC(C)C(C)C R289299 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 C=CC(O)C(C)C S442062 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.3 CC(C)/C(=N\O)/N MNO000140 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CC(C)C(=O)NN CDS003555 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 CC(O)C(=O)NN PH018680 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CN(C)C(=O)CBr CDS023710 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CN(C)C(=O)CO CDS023758 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 CNC(=O)[C@H](C)N CDS020776 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CNC(C)C(C)C CBR00876 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 COC(=O)C(C)N S378909 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 O=C(O)C(=O)O[Cs] S366196 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C(=O)NC(C)C S378380 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CC(C)C=NO S388378 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CC(C)CCCl S564524 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CNCC(C)C CDS000422 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 COC[C@@H](C)N CDS023796 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 COC[C@H](C)N CDS001149 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.3 CCC(=O)CO R277614 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 CCC(N)CC TMT00064 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.3 CCN(O)CC S623067 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CC[Tl](Br)CC S837075 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.3 CC[Tl](I)CC S837083 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.3 CNC(=O)CCl OTV000964 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.3 CNC(=O)NN CDS019843 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.5 C=C(C)C(=O)C CDS000556 [1,0,0,0,0,0|0,0,2]=3 26 B5R0.5 C=C(C)C(=O)[O-] S457930 [1,0,0,0,0,0|0,0,3]=4 27 B5R0.5 C=C(C)C(=O)[O-] S460389 [1,0,0,0,0,0|0,0,3]=4 28 B5R0.5 C=C(C)C(=O)[O-] S461806 [1,0,0,0,0,0|0,0,3]=4 29 B5R0.5 C=C(C)C(C)O T277479 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.5 CC(=O)C(C)F CDS002853 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.5 CC(=S)N(C)C S622877 [1,0,0,0,0,0|1,1,0]=3 32 B5R0.5 CC(C)C(=N)N CDS015019 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.5 CC(C)C(=S)N PH006913 [1,0,0,0,0,0|1,1,0]=3 34 B5R0.5 CC(O)C(=O)[O-] S933260 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.5 O=C(O)C(=O)O S647829 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.5 C/C(=C\C#N)/C(C)C PH010111 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.5 C=C(CCC)C(C)C R289221 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.5 CC(C)C(N)CCO BBO000682 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.5 CCCC(=C(C)C)C R289469 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.5 CCOC(=O)C(Br)Br PH011431 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.5 CCOC(=O)C(C)N CDS015013 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.5 CCOC(=O)N(C)C PH001938 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.5 CCOC(=O)N(C)N PH007944 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.5 CN(C)C(=O)CCN CBR00920 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.5 CNCC(=O)N(C)C CDS007544 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.5 COCC(=O)C(C)C CDS024045 [0,1,0,0,0,0|0,0,0]=1 48 B7R0.5 CSCC(=O)N(C)C PH007257 [0,1,0,0,0,0|1,1,0]=3 49 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,1,0,0,0,0|0,0,1]=2 50 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.10 CCC(C)/C(=N/O)/N CBR01424 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.10 CCN(C)C(C)CO CBR01495 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.10 CNC(C)C(=O)OC CBR01417 [0,1,0,0,0,0|0,0,0]=1 54 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [0,1,0,0,0,0|0,0,0]=1 55 B7R0.10 COC(=O)C(=O)NN PH011621 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.10 COC(=O)[C@H](N)CS PH013124 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.10 [C@H](O)(CO)C(=O)CO R426385 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.13 CCS(=O)(=O)C(C)Cl T163783 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.14 C/C=C(\C)/C(C)(C)C R289345 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.14 CC(C)(C)C(=O)NN CDS004742 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.14 CC(C)(O)C(=O)NN S677418 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.15 C(=O)C(CC)C(C)C S416274 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.16 CC(N)C(=O)N(C)C CBR01336 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.16 CC(O)C(=O)N(C)C CDS021721 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.4 CC1=C(CCC1)Br T256854 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.4 CC1=CCCC1O T295310 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.4 CC1CCCC1C R289701 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.4 CC1CCCC1O CDS001174 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.4 CC1OCOC1C T332674 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.4 CN1CCN=C1N S897663 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.4 CN1CCNC1=O CDS006142 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.4 NC1CCOC1=O CDS012715 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.4 NC1CCSC1=O S784036 [0,0,0,1,0,0|1,1,0]=3 75 B7R1.4 NN1CCOC1=O S462624 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.19 CC(C)C1(CC1)N CBR00890 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.22 CCC(=O)C1CC1 CDS023679 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.22 CCC(N)C1CC1 CBR01739 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.22 CNC(=O)C1CC1 S261831 [0,0,0,1,0,0|1,0,0]=2 83 B7R1.22 COC(=O)N1CC1 T175501 [0,0,0,1,0,0|1,0,0]=2 84 B7R1.22 NNC(=O)C1CC1 PH010669 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.22 O=C(CBr)C1CC1 TMT00623 [0,0,0,1,0,0|2,0,0]=3 86 B7R0.2 C=C(CO)CC(C)C T296279 [0,0,0,0,0,1|3,0,0]=4 87 B7R0.2 CC(C)CC(=O)C#N R260371 [0,0,0,0,0,1|2,0,0]=3 88 B7R0.2 CC(C)OC(=O)CS S593931 [0,0,0,0,0,1|2,0,0]=3 89 B7R0.2 CC(C)OC(=O)NF PH009513 [0,0,0,0,0,1|2,0,0]=3 90 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,0,0,0,0,1|1,0,0]=2 91 B7R0.2 CCC(O)CC(C)C S447455 [0,0,0,0,0,1|1,0,2]=4 92 B7R0.2 CN(C)CC(=O)NN CDS000357 [0,0,0,0,0,1|3,0,0]=4 93 B7R0.2 CNC(=O)NC(=O)C S411868 [0,0,0,0,0,1|2,0,1]=4 94 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,0,0,0,0,1|1,0,1]=3 95 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,0,0,0,0,1|1,0,1]=3 96 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,0,0,0,0,1|2,0,1]=4 97 B7R0.2 COC(=O)CC(C)Cl S559458 [0,0,0,0,0,1|1,0,0]=2 98 B7R0.2 COC(=O)NC(=O)N S876178 [0,0,0,0,0,1|2,0,1]=4 99 B7R0.2 COC(=O)NC(C)C PH006940 [0,0,0,0,0,1|0,0,0]=1 100 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,0]=3 102 B4R0.1 CC(C)NN CDS002505 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 CC(C)NN CDS002842 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 CCB(O)O CDS003542 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|0,0,1]=3 107 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|1,1,0]=4 108 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|0,1,0]=3 110 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|1,0,0]=3 111 B4R0.1 O=C([O-])CO CDS000626 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.1 C/C=C/[C@H](C)CC R289493 [1,1,0,0,0,0|1,0,0]=3 114 B6R0.1 C/C=C\C(C)CC R289485 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.1 CC/C=C(\C)/CC R289574 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.1 CC/C=C(\C)/CC R289582 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.1 CC/C=C(\C)/CO S888702 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.1 CCCC(C)NC PH018184 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.1 CCNC(C)CC CBR00870 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.1 CC[C@H](N)COC PH019017 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.1 COCC(O)CCl S615455 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.1 COCC(O)CN CDS009718 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.2 C=C(C)CC(C)C R289256 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.2 CC(=CC(C)C)C R289302 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.2 CC(=CN(C)C)C S365297 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.2 CC(=O)NC(C)C S378992 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.4 C#C/C=C/C(C)C T269360 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.4 CC(C)OCCN CDS000373 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.4 CCCSC(C)C S570702 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.4 CSCCC(C)C S351520 [1,1,0,0,0,0|0,1,1]=4 132 B6R0.5 C(=C\C(C)(C)C)\C S411922 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.5 C(=C\C(C)(C)C)\C S437441 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.5 CC(C)(C)/C=N/O PH009800 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.5 CCNC(C)(C)C CDS000392 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.5 CNCC(C)(C)C CBR00855 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.5 CNCC(C)(C)C CDS011416 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.5 COCC(C)(C)N CBR00858 [1,1,0,0,0,0|0,0,1]=3 139 B6R0.8 COP(=O)(O)OC CDS014665 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.9 CCC(CN)OC CBR00912 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.9 CCC(CN)OC CDS002072 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [1,1,0,0,0,0|0,0,0]=2 143 B6R0.7 CC(=O)C(C)(C)Cl S304212 [1,1,0,0,0,0|0,0,0]=2 144 B6R0.7 CC(=O)C(Cl)(Cl)Cl S439940 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.7 CC(C)(C)C(=N)N S168351 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.7 CC(C)(Cl)[N+](=O)[O-] S565962 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.7 CC(C)(N)C(=O)N CBR00900 [1,1,0,0,0,0|1,0,0]=3 148 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [1,1,0,0,0,0|0,0,1]=3 149 B6R0.7 CC(C)C(C)(C)N CBR02430 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.7 CC(Cl)(Cl)C(=O)[O-] R426326 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.7 CC(N)C(C)(C)C CDS001121 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.7 CC(N)P(=O)(O)O R425923 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.7 CC(O)C(C)(C)O S937371 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.7 CN(C)S(=O)(=O)C S616672 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.7 O=C(O)C(F)(F)F S619701 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.2 COC(=O)C(=O)C(C)Br SYX00008 [0,1,0,0,0,1|1,0,0]=3 157 B8R0.2 COC(=O)C(N)C(C)O S765430 [0,1,0,0,0,1|1,0,0]=3 158 B8R0.2 COC(=O)C(O)C(C)C CDS021214 [0,1,0,0,0,1|0,0,0]=2 159 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [0,1,0,0,0,1|1,0,0]=3 160 B8R0.5 CC(C)OC(=O)CC#N S615137 [0,1,0,0,0,1|1,0,1]=4 161 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,1,0,0,0,1|1,0,1]=4 162 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,1,0,0,0,1|1,0,1]=4 163 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,1,0,0,0,1|0,0,0]=2 164 B8R0.19 CCC(C)NC(=O)CCl OTV000953 [0,1,0,0,0,1|2,0,0]=4 165 B8R0.19 CCC(C)NC(=O)NC S724750 [0,1,0,0,0,1|1,0,0]=3 166 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,1,0,0,0,1|0,0,1]=3 167 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,1,0,0,0,1|0,0,1]=3 168 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,1,0,0,0,1|1,0,1]=4 169 B8R0.23 CC(C)OC(=O)N(F)F PH009514 [0,1,0,0,0,1|2,0,0]=4 170 B8R0.24 C=CC(=O)NC(C)(C)C S601497 [0,1,0,0,0,1|1,0,1]=4 171 B8R0.24 CC(C)(C)NC(=O)CI PH000979 [0,1,0,0,0,1|2,0,0]=4 172 B8R0.24 CC(C)(C)OC(=O)CN T243442 [0,1,0,0,0,1|2,0,0]=4 173 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [0,1,0,0,0,1|1,0,0]=3 174 B8R0.3 C#CC(O)C(=O)OCC CDS000110 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.3 C(=C(\C)/C(=O)OC)\CCl T297852 [0,2,0,0,0,0|0,0,1]=3 176 B8R0.3 CCCC(=O)C(Br)CC PH011136 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,2,0,0,0,0|2,0,0]=4 178 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [0,2,0,0,0,0|1,0,0]=3 179 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [0,2,0,0,0,0|1,0,1]=4 180 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,2,0,0,0,0|1,0,0]=3 181 B8R0.3 CCOC(=O)C(F)CC S431370 [0,2,0,0,0,0|1,0,0]=3 182 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,2,0,0,0,0|1,0,0]=3 183 B8R0.3 COC(=O)[C@H](C)N=C=S PH015177 [0,2,0,0,0,0|0,0,1]=3 184 B8R0.8 CCCCC(=O)N(C)C S939811 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.8 CN(C)C(=O)CCCN CBR00927 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,2,0,0,0,0|0,0,0]=2 187 B8R0.12 CC(C)S(=O)(=O)CCN CBR01556 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [0,2,0,0,0,0|1,0,0]=3 189 B8R0.14 CCNC(=O)C(C)(C)O S536970 [0,2,0,0,0,0|1,0,0]=3 190 B8R0.14 CO/N=[N+](\C)/C(C)(C)C S887390 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.15 CC(C)N(C=O)CCO PH000615 [0,2,0,0,0,0|2,0,0]=4 192 B8R0.13 CNC(=O)C(C)(C)NC CDS021433 [0,2,0,0,0,0|1,0,0]=3 193 B8R0.13 COC(=O)C(C)(Br)CBr S881287 [0,2,0,0,0,0|0,0,0]=2 194 B8R0.20 C(=C(\CBr)/C(=O)OC)\C T262250 [0,2,0,0,0,0|0,0,1]=3 195 B8R0.20 CCC(CC)C(=O)OC S240257 [0,2,0,0,0,0|0,0,0]=2 196 B8R0.20 CCC(NC)C(=O)OC CBR01434 [0,2,0,0,0,0|0,0,0]=2 197 B8R0.20 [C-]#[N+]C(CC)C(=O)OC PH015976 [0,2,0,0,0,0|0,0,1]=3 198 B8R0.37 CC(C)S(=O)(=O)C(C)C S799092 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.27 CC(C)(C)C(=O)C(=O)O CDS001578 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.27 CC(C)C(=O)C(F)(F)F MNO000138 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.27 CN(C)C(=O)C(C)(C)N CBR01553 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.27 CN(C)C(=O)C(C)(C)N CDS024007 [0,2,0,0,0,0|1,0,0]=3 203 B8R0.18 CC(=O)/C(=N\O)/C(C)C PH009501 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.18 CC(C)C(=NO)C(C)C S37762 [0,2,0,0,0,0|1,0,1]=4 205 B8R0.18 CCC(C(=O)C)C(C)C S373559 [0,2,0,0,0,0|1,0,1]=4 206 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,1,0,0|1,0,1]=4 207 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,1,0,0|1,0,1]=4 209 B6R1.3 CNCC1CC1 CBR00064 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.9 CC1CC1(C)C R289639 [1,0,0,1,0,0|1,0,1]=4 211 B6R1.11 CC(C)C1CC1 R289612 [1,0,0,1,0,0|1,0,1]=4 212 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,1,0,0|1,0,0]=3 213 B6R1.4 O=C1CCC1=O S869309 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.4 CC1CCOC(O1)C S346918 [0,0,0,1,0,1|1,0,1]=4 215 B8R1.4 CC1CCOS(=O)O1 S359173 [0,0,0,1,0,1|1,0,0]=3 216 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,0,0,1,0,1|2,0,0]=4 217 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,0,0,1,0,1|1,0,0]=3 218 B8R1.40 CO/C(=N/C1CC1)/C T199370 [0,0,0,1,0,1|1,0,0]=3 219 B8R1.40 NCC(=O)NC1CC1 CBR00910 [0,0,0,1,0,1|2,0,0]=4 220 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,0,0,1,0,1|1,0,0]=3 221 B8R1.51 CC1(CNC(=O)O1)C T283703 [0,0,0,1,0,1|1,0,0]=3 222 B8R1.51 CC1(CNC(=S)N1)C T149195 [0,0,0,1,0,1|1,1,0]=4 223 B8R1.51 CC1(COC(=O)N1)C CBR01583 [0,0,0,1,0,1|0,0,0]=2 224 B8R1.51 CC1NC(CO1)(C)C PH016117 [0,0,0,1,0,1|1,0,1]=4 225 B8R1.83 COC(=O)C1CC1C EME00059 [0,0,0,1,0,1|0,0,0]=2 226 B8R1.5 CC1SCCNC1=O R305707 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.7 CC(N)C1=CCCO1 PH018924 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.19 CC1(CCOC1O)C T274453 [0,1,0,1,0,0|0,0,2]=4 232 B8R1.19 CC1CCCS1(=O)=O S566659 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.19 CN1CCOS1(=O)=O SYX00442 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.19 C[N+]1=COCC1(C)C S618810 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.37 CCCC(=O)N1CC1 S406996 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.54 CC(C)C(=O)C1CC1 CDS023680 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.54 CC(C)C(=O)N1CC1 S432822 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.11 CC1CCC=C1C#N T238554 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.11 CCC1CCNC1=O CBR01663 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.11 N#CC1CCCC1=O CDS020714 [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|0,0,0]=2 243 B8R1.38 COC(=O)C1CNC1 CDS005119 [0,1,0,1,0,0|0,0,0]=2 244 B8R1.38 NNC(=O)C1CCC1 CBR00212 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.39 COC(=O)C1(CC1)N CDS020064 [0,1,0,1,0,0|0,0,0]=2 246 B8R1.50 CC1=NOC(=O)C1C PH007712 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.50 CC1C(=O)COC1=O S839418 [0,1,0,1,0,0|0,0,1]=3 248 B8R1.69 CC1(CCS1(=O)=O)C T176273 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.33 C/N=C(/OC)\C1CC1 T170984 [0,1,0,1,0,0|1,0,0]=3 250 B8R0.9 CC(C)CNC(=O)CCl CBR01221 [0,0,0,0,0,2|2,0,0]=4 251 B8R0.9 COC(=O)CNC(=O)C S785687 [0,0,0,0,0,2|1,0,1]=4