0 B6R0.1 C/C=C/[C@H](C)CC R289493 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 C/C=C\C(C)CC R289485 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 CC/C=C(\C)/CC R289574 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.1 CC/C=C(\C)/CC R289582 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.1 CC/C=C(\C)/CO S888702 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCC(=O)COC CDS024044 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.1 CCC(=O)OCS PH000959 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCC(C)NC=O S620394 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CCCC(N)CC CBR01120 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.1 CCNC(=O)CBr CBR01984 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCNC(=O)CCl TMT00299 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 CCNC(C)CC CBR00870 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 CCOC(=O)NC PH010865 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.1 CCOC(=O)N[O-] S859273 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CCSC(=O)CC CDS001498 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.1 CC[C@H](N)COC PH019017 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.1 CNCC(=O)NC CBR00235 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 CNCC(=O)OC PH006931 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 COC(=O)/C=C\I SYX00331 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 [Li]OC(=O)CCC S813958 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 C=C(C)CSC S866024 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 C=COC(=O)C S458201 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CC(=O)CCN OTV000740 [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 COCC(=O)N S371874 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 O=C([O-])/C=C\Cl T234753 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.2 C=CCNCC PH014544 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.2 C=CCSCC S620327 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 CCC/C=N/O S429139 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 CCCCSC S447420 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.2 CCCNCC CDS000615 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 CCCOCC CDS000380 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 CCNNCC S814563 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 OC/C=C/CO PH000110 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 Br/C=C(\Br)/CBr S53202 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.3 C/C(=C\Br)/CO S881295 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.3 C=CC(O)CBr TMT00686 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.3 CCC(=O)CO R277614 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.3 CCC(N)CC TMT00064 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.3 CCN(O)CC S623067 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.3 CC[Tl](Br)CC S837075 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.3 CC[Tl](I)CC S837083 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.3 CNC(=O)CCl OTV000964 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.3 CNC(=O)NN CDS019843 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.3 Cl/C=C(/Cl)\CCl PH008783 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.2 CC(C)OC(=O)CS S593931 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.2 CNC(=O)CC(=N)N CBR01542 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.2 COC(=O)CC(C)Cl S559458 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.2 COC(=O)NC(=O)N S876178 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.2 COC(=O)NC(C)C PH006940 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.2 NC(=O)NC(=O)CCl PH011412 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.3 C=C(CC)CCCC CDS000215 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.3 C=CCOC(=O)CBr PH008698 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.3 CCC#CC(=O)OC T242845 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.3 CCCNC(=O)CCl OTV000047 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.3 CCCOC(=O)CBr PH011324 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.3 CCCOC(=O)CCl S431443 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.3 CCCOC(=O)CN PH019063 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.3 CCOCC(=O)OC EME00071 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.3 CCSCS(=O)CC S697834 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.3 CNC(=O)OCCCl L163082 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.3 CNC(=O)OCCO S392650 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.3 CNCCC(=O)NC CBR01261 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.5 C/C(=C\C#N)/C(C)C PH010111 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.5 C=C(CCC)C(C)C R289221 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.5 CCOC(=O)C(Br)Br PH011431 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.5 CCOC(=O)C(C)N CDS015013 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.5 CCOC(=O)N(C)C PH001938 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.5 CCOC(=O)N(C)N PH007944 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.5 CNCC(=O)N(C)C CDS007544 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 COCC(=O)C(C)C CDS024045 [0,1,0,0,0,0|1,0,1]=3 83 B7R0.5 CSCC(=O)N(C)C PH007257 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.7 C/C=C/C(O)CCC S417386 [0,1,0,0,0,0|0,0,2]=3 85 B7R0.7 C=CCC(O)/C=C\C S505013 [0,1,0,0,0,0|0,0,3]=4 86 B7R0.7 CCC/C(=C/C#N)/C PH010112 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.7 CCCS(=O)CCC S440973 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.7 CCNC(=O)CC#N OTV000131 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.7 CCOC(=O)CCI T255378 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.7 CCOC(=O)CNC PH000310 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.7 CCOC(=O)CNN CDS009912 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.7 CCOC(=O)NNC PH007943 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.7 CCOC(=O)NOC PH005154 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.7 CCSC(=O)SCC S189634 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,1,0,0,0,0|0,0,2]=3 97 B7R0.10 CNC(=S)C(=S)NC S346977 [0,1,0,0,0,0|2,1,0]=4 98 B7R0.10 CNC(C)C(=O)OC CBR01417 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.10 COC(=O)C(=O)NN PH011621 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.1 CCC1=CNN=C1 CBR01738 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.1 CCC1C=CCC1 S416223 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.1 COC1C=CCC1 S702501 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.1 CSC1=CC=CS1 R436550 [0,0,0,1,0,0|1,1,1]=4 106 B7R1.1 NCC1=COC=C1 CDS008929 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.1 OCC1=NOC=C1 PHB00207 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.1 SCC1=CC=CS1 CDS000069 [0,0,0,1,0,0|1,1,1]=4 110 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.2 CC1COC(=O)C1 PH007953 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.2 CC1COC(=O)N1 CBR01603 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.2 CC1OC(=O)CS1 PH007278 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.3 IC1=CCCCC1 PH008510 [0,0,0,1,0,0|1,0,1]=3 121 B7R1.3 O=C1C=CC=CN1 T160121 [0,0,0,1,0,0|1,0,2]=4 122 B7R1.3 O=C1C=CNC=C1 T161470 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.3 O=C1C=CSC=C1 T162035 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.3 O=C1CCCNC1 CDS006090 [0,0,0,1,0,0|1,0,1]=3 125 B7R1.3 O=C1COCCN1 T160245 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.3 O=C1COCCO1 PH009771 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.3 O=C1CSC=CN1 OTV000696 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.3 O=C1CSCCN1 PH010392 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.3 O=C1NCCCN1 S436712 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.3 O=C1NCCCO1 CBR00063 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.3 O=C1OCCCO1 S939668 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.3 O=S1CCCSC1 S885002 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.4 CC1=CCCC1O T295310 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.4 CN1CCNC1=O CDS006142 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.4 CN1N=CC=C1Br CBR02073 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.4 NC1CCOC1=O CDS012715 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.4 NC1CCSC1=O S784036 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.4 OC1C=CCC1O PH007055 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.6 COC=C1COC1 SYX00441 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.15 CC1NC(=O)C1C T173835 [0,0,0,1,0,0|1,0,1]=3 144 B7R1.15 CC1NC(=O)C1C T173843 [0,0,0,1,0,0|1,0,1]=3 145 B7R1.22 CCC(=O)C1CC1 CDS023679 [0,0,0,1,0,0|0,0,2]=3 146 B7R1.22 CNC(=O)C1CC1 S261831 [0,0,0,1,0,0|1,0,2]=4 147 B7R1.22 COC(=O)N1CC1 T175501 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.22 O=C(CBr)C1CC1 TMT00623 [0,0,0,1,0,0|1,0,2]=4 149 B4R0.1 C(=O)C(=O)[O-] S573140 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|1,1,0]=4 155 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|1,0,0]=3 157 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 O=C([O-])CO CDS000626 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.2 C=CCCN CDS021978 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.2 OC/C=C/Br S880973 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.2 CC(=CC(C)C)C R289302 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.2 CC(=CN(C)C)C S365297 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.2 CC(=N)CC(=O)C S366234 [1,1,0,0,0,0|0,0,1]=3 165 B6R0.2 CC(=O)NC(C)C S378992 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.2 CC(=O)SC(=O)C R425621 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.2 CC(=S)CC(=O)N S704164 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.2 O=C(O)C=C(Cl)Cl T295175 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.4 C=CCNC(=O)C EME00415 [1,1,0,0,0,0|0,0,2]=4 174 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.4 CC(=O)OCCS S363049 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.4 CCC#CC(=O)C CDS000006 [1,1,0,0,0,0|0,0,2]=4 178 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|0,0,2]=4 180 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|0,0,2]=4 181 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.5 C(=C\C(C)(C)C)\C S411922 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.5 C(=C\C(C)(C)C)\C S437441 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.8 C=CC(C)(C)CC R289280 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.2 CCC(C)C(=O)C(C)C S431117 [0,2,0,0,0,0|0,0,2]=4 186 B8R0.2 COC(=O)C(=O)C(C)Br SYX00008 [0,2,0,0,0,0|1,0,0]=3 187 B8R0.5 C(=C/[C@H](O)C[C@H](C)O)\C T262730 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.5 C/C=C/C(=O)NC(C)C PH006962 [0,2,0,0,0,0|0,0,0]=2 189 B8R0.5 C=C(C)CC(O)/C=C/C S504947 [0,2,0,0,0,0|0,0,2]=4 190 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [0,2,0,0,0,0|1,0,0]=3 191 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,2,0,0,0,0|0,0,1]=3 192 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,2,0,0,0,0|0,0,1]=3 194 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,2,0,0,0,0|1,0,0]=3 195 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,2,0,0,0,0|1,0,0]=3 198 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,2,0,0,0,0|0,0,1]=3 200 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,2,0,0,0,0|0,0,1]=3 201 B8R0.1 C/C=C\C(O)CCCC S364290 [0,2,0,0,0,0|0,0,2]=4 202 B8R0.1 C=CCNC(=O)OCC S361445 [0,2,0,0,0,0|0,0,2]=4 203 B8R0.1 CC=CC(=O)NCCC T173770 [0,2,0,0,0,0|0,0,0]=2 204 B8R0.1 CCCCC(=O)CCC S456489 [0,2,0,0,0,0|0,0,2]=4 205 B8R0.1 CCCNC(=O)NCC S805858 [0,2,0,0,0,0|0,0,2]=4 206 B8R0.1 CCCNC(=O)OCC S361909 [0,2,0,0,0,0|0,0,2]=4 207 B8R0.1 CCOC(=O)CCC#N PH003642 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.1 CCOC(=O)CCOC CDS025273 [0,2,0,0,0,0|0,0,2]=4 209 B8R0.1 CCOC(=O)NCCO S391980 [0,2,0,0,0,0|1,0,1]=4 210 B8R0.3 C(=C(\C)/C(=O)OC)\CCl T297852 [0,2,0,0,0,0|1,0,0]=3 211 B8R0.3 CCCC(=O)C(Br)CC PH011136 [0,2,0,0,0,0|0,0,2]=4 212 B8R0.3 CCCC(O)C(=O)CC PH008572 [0,2,0,0,0,0|0,0,2]=4 213 B8R0.3 CCOC(=O)/C(=N/O)/C S942979 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.3 CCOC(=O)C(Cl)CC S918407 [0,2,0,0,0,0|0,0,2]=4 215 B8R0.3 CCOC(=O)C(F)CC S431370 [0,2,0,0,0,0|0,0,2]=4 216 B8R0.3 CCOC(=O)[C@H](N)CO PH015186 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,2,0,0,0,0|1,0,0]=3 218 B8R0.8 COCCC(=O)C(C)C CDS024032 [0,2,0,0,0,0|0,0,2]=4 219 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.9 C=C(C)CNC(=O)CCl PH008781 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.9 CC(=O)OCC(=O)CCl CDS000183 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,2,0,0,0,0|1,0,1]=4 224 B8R0.9 CCC(=O)COC(=O)C S362409 [0,2,0,0,0,0|0,0,1]=3 225 B8R0.9 CCC(=O)NC=C(Cl)Cl S196908 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.9 COC(=O)CNC(=O)C S785687 [0,2,0,0,0,0|1,0,1]=4 228 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [0,2,0,0,0,0|0,0,2]=4 229 B8R0.14 CCNC(=O)C(C)(C)O S536970 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.20 C(=C(\CBr)/C(=O)OC)\C T262250 [0,2,0,0,0,0|1,0,0]=3 231 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,1,0,0|2,0,0]=4 232 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,1,0,0|2,0,0]=4 233 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,1,0,0|0,0,2]=4 234 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,1,0,0|1,1,0]=4 235 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,1,0,1,0,0|1,1,0]=4 238 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.1 CCC1=NNC(=C1)N CDS019625 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,1,0,1,0,0|0,0,2]=4 249 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,1,0,0|0,0,1]=3 252 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,1,0,0|0,0,0]=2 253 B8R1.4 NC1=NC(=O)CCS1 PH012053 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.4 O=C1CSCC(=O)N1 R305316 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.4 OC1C=C(CCC1)Br T262986 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,1,0,0|0,1,1]=4 260 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,1,0,1,0,0|0,0,0]=2 261 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.18 CC1SC(=NC1=O)N PH008402 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,1,0,0|0,0,2]=4 267 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.51 CC1=CS(=O)(=O)CC1 S948608 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.2 NCC1=CCCCC1 CBR00863 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.2 O=CC1=COCCO1 CDS007966 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,1,0,1,0,0|0,0,2]=4 274 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.3 O=C1CCC(CC1)O T292184 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.5 CC1CC=CCC1C T152838 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.5 CC1SCCNC1=O R305707 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.5 FC1=C(CCCC1)Br S896187 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.5 N1CCNC(=O)C1=O S15025 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.5 OC1CCCC=C1Br T272590 [0,1,0,1,0,0|0,0,2]=4 287 B8R1.22 O=C1C=CCCC=C1 T167258 [0,1,0,1,0,0|0,0,1]=3 288 B8R1.22 O=C1CCSCCN1 SYX00233 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.22 O=C1CNCCCN1 CDS019453 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.22 O=C1CSCCSC1 CBR01192 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.50 CC1=CC=[N+](N1C)C R461717 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.50 CC1=NOC(=O)C1C PH007712 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.50 CC1C(=O)COC1=O S839418 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,1,0,1,0,0|0,1,1]=4 295 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,1,0,1,0,0|0,1,1]=4 296 B8R1.7 CC(N)C1=CCCO1 PH018924 [0,1,0,1,0,0|0,0,2]=4 297 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.37 CCCC(=O)N1CC1 S406996 [0,1,0,1,0,0|0,0,2]=4 300 B8R1.54 CC(C)C(=O)C1CC1 CDS023680 [0,1,0,1,0,0|0,0,2]=4 301 B8R1.54 CC(C)C(=O)N1CC1 S432822 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.8 CCCC1C=CCC1 R289795 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,1,0,1,0,0|0,1,1]=4 304 B8R1.8 CNCC1=CC=CS1 PH012021 [0,1,0,1,0,0|0,1,1]=4 305 B8R1.8 CNCC1=CSC=C1 PH015792 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,1,0,1,0,0|0,0,2]=4 307 B8R1.11 CC1CCC=C1C#N T238554 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.11 CCC1CCNC1=O CBR01663 [0,1,0,1,0,0|0,0,2]=4