0 B6R0.1 CCCC(=O)NN NO22544 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCNC(=O)CN DY461322 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCOC(=O)CC DY460554 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.1 CCOC(=O)CN DY700831 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCOC(=O)CN NO15347 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCOC(=O)CO NO11386 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CCOC(=O)NN NO11383 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CNC(=O)CC#N NO18404 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 COC(=O)CC=O DY740485 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 COC(=O)CCCl DY741043 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 COC(=O)CCN NO22266 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 COC(=O)CSC DY460536 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 COCC(=O)NN NO11580 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 O=C(CCl)NCO NO14580 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CC#CC(=O)O DY20776 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CC(=O)O[Ru]Cl DY577947 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 CC(=O)\C=N\O NO11520 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CC(=O)\C=N\O NO18968 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CC(C)=CCBr DY41900 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(C)=CCCl DY460578 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)=C[SiH2]Cl DY822351 [1,0,0,0,0,0|2,1,0]=4 21 B5R0.1 CCCC(=O)[O-] DY822775 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.1 CCCC(C)=O NO21731 [1,0,0,0,0,0|0,0,2]=3 23 B5R0.1 CCNC(C)=O DY564051 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 CCOC(C)=N DY500026 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CNCC(=O)O NO18595 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 COCC(=O)O NO11579 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CSCC(=O)O DY543879 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CSCC(N)=O NO12608 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 C\C(N)=C/C#N DY506903 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 C\C=C\C(=O)O DY41882 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,0,0,0,0,0|0,0,2]=3 32 B5R0.1 N\C=C\C(N)=O DY741355 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.2 CCC#CCC DY740797 [1,0,0,0,0,0|0,0,3]=4 34 B5R0.2 CCO\C=C\Br DY456448 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.2 CC\C=C\CO DY527871 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.2 C\C=C\CCO DY799773 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.2 ClC\C=C\CCl DY10276 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 ClC\C=C\CCl DY10277 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 OC\C=C\CCl DY10262 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 C=CC(Cl)CCl DY740791 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 C=CC(N)CO DY579231 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 C=C[C@H](O)CO DY625759 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.3 CCC(=O)OC DY460566 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.3 CCN(O)CC DY551655 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.3 CNC(=O)CCl DY21094 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.3 CNC(=O)CN DY437710 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.3 CNC(=O)CN DY542271 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.3 COC(=O)CF DY822286 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.3 COC(=O)CN NO15045 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.3 COC(=O)CO NO19433 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.3 COC(=O)CS DY20578 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.3 COC(=O)NN DY20825 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.3 O=C(CBr)CBr DY572985 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 O=C(CO)CO NO11245 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.2 CC(=O)NC(=O)CCl DY741085 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 CC(C)CC(=O)CN DY540483 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.2 CC(C)NC(=O)CN DY605375 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.2 CC(C)OC(=O)CO NO11522 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,1,0,0,0,0|0,0,1]=2 60 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.2 CNC(=O)CC(=O)O DY604593 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.2 COC(=O)CC(=O)O NO13436 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.2 COC(=O)CC(=O)[O-] DY41937 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.2 COC(=O)CC(N)=O DY557829 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.2 COC(=O)\C=C(/C)F DY822490 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.2 COC(=O)\C=C(/C)N NO13690 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.3 CC\C=C\C(=O)OC DY741019 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.3 COC(=O)CCC=O DY21172 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.3 COC(=O)\C=C\CBr NO13509 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.3 COC(=O)\C=C\CN DY583653 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.3 CO\C=C\C(=O)OC NO11630 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.5 CCCC(=O)N(C)C DY584357 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.5 CCNC(=O)C(C)Cl DY605068 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.5 CCOC(=O)C(Br)Br DY584292 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.5 CCOC(=O)C(C)C NO11388 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.5 CCOC(=O)C(C)N DY628935 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.5 CCOC(=O)C(F)F NO11385 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [0,1,0,0,0,0|1,0,1]=3 83 B7R0.7 CC#CC(=O)OCC NO10117 [0,1,0,0,0,0|0,0,2]=3 84 B7R0.7 CCNC(=O)CC#N DY740641 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.7 CCOC(=O)CC=O DY586084 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.7 CCOC(=O)CCN NO14330 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.7 CCOC(=O)CNC NO17068 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.7 CCOC(=O)CNN NO19987 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.7 CCOC(=O)COC NO11389 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.7 CCOC(=O)\C=C\Br DY822474 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.7 O=C(CCCl)CCCl NO19912 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.10 C=C(CBr)C(=O)OC NO11592 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.10 C=C(CC)C(=O)OC DY541119 [0,1,0,0,0,0|1,0,1]=3 94 B7R0.10 CCC(Br)C(=O)OC NO14136 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.10 CNC(=O)[C@H](C)NC DY608115 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.10 COC(=O)C(=O)CBr NO15824 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.10 COC(=O)C(C)OC DY822756 [0,1,0,0,0,0|2,0,1]=4 98 B7R1.1 CCC1=NC=CN1 NO21533 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 CCN1C=CC=N1 NO20681 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.1 CNC1=CC=CS1 DY786838 [0,0,0,1,0,0|1,1,1]=4 101 B7R1.1 CNC1=NNC=C1 DY555147 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.1 COC1=CC=CO1 DY759896 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.1 COC1=CSC=C1 NO22351 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.1 ClCC1=CC=CO1 NO13429 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.1 NCC1=CC=CN1 NO14874 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.1 NCC1=CC=CS1 NO22783 [0,0,0,1,0,0|1,1,1]=4 107 B7R1.1 NCC1=CSC=C1 NO22417 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.1 NCC1=NNC=C1 NO15493 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.1 OCC1=CC=NO1 NO15343 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.1 OCC1=COC=C1 NO22303 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.1 OCC1=CSC=C1 NO18039 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,0,0,1,0,0|0,0,0]=1 113 B7R1.2 CC1=CC(=O)NN1 NO22601 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.2 CC1=CC(Br)=CS1 NO22736 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.2 CC1=CC(Br)=NN1 NO12832 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.2 CC1=CC(Br)=NO1 DY113406 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.2 CC1=CC(C)=NN1 NO19982 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.2 CC1=CC(C)=NO1 NO14107 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.2 CC1=CC(I)=NN1 NO16887 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.2 CC1=CC(N)=CS1 DY786994 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.2 CC1=CCC(=O)O1 DY562161 [0,0,0,1,0,0|1,0,1]=3 122 B7R1.2 CC1=NCC(=O)O1 DY774159 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.2 CC1=NNC(=O)C1 NO16242 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.2 CC1=NNC(=O)O1 NO10427 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.2 CC1=NOC(Br)=C1 DY773601 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.2 CC1=NOC(N)=C1 NO16239 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.2 CC1=NSC(N)=C1 DY459756 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.2 CC1=NSC(N)=C1 NO16387 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.2 CC1CCC(=O)N1 DY505299 [0,0,0,1,0,0|1,0,1]=3 130 B7R1.2 CN1CCC(=O)C1 NO20760 [0,0,0,1,0,0|1,0,1]=3 131 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.2 C[N+]1=CC(=O)O[N-]1 DY567615 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.2 NC1=CC(=O)CS1 DY786970 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.2 NC1=CC(=O)NN1 NO13152 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,0,0,1,0,0|1,0,1]=3 137 B7R1.2 O=C1CCC(=O)N1 DY822949 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.2 O=C1CSC(=O)N1 NO22526 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.2 O=C1CSC(=S)N1 DY522063 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.3 BrC1=CCOCC1 DY543735 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.3 CC1C=CCCO1 DY560079 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.3 NC1C=CCCC1 DY608404 [0,0,0,1,0,0|1,0,1]=3 143 B7R1.3 O=C1C=CC=CN1 NO18724 [0,0,0,1,0,0|1,0,2]=4 144 B7R1.3 O=C1C=CC=NN1 NO19793 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.3 O=C1C=CCCN1 NO15771 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.3 O=C1C=CCOC1 NO17023 [0,0,0,1,0,0|1,0,0]=2 147 B7R1.3 O=C1C=CN=CN1 NO19105 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.3 O=C1CCCCO1 NO11208 [0,0,0,1,0,0|1,0,1]=3 149 B7R1.3 O=C1CCCNC1 DY557319 [0,0,0,1,0,0|1,0,1]=3 150 B7R1.3 O=C1CCCNC1 NO17767 [0,0,0,1,0,0|1,0,1]=3 151 B7R1.3 O=C1CCOCC1 NO13380 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.3 O=C1CCSCC1 NO18797 [0,0,0,1,0,0|1,0,2]=4 153 B7R1.3 O=C1CNCCN1 NO19142 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 O=C1COCCN1 NO11697 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 O=C1COCCO1 DY20725 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 O=S1CCCCC1 DY822282 [0,0,0,1,0,0|1,0,2]=4 157 B7R1.3 O=c1ccocc1 DY460890 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.3 OC1C=CCNC1 DY552951 [0,0,0,1,0,0|1,0,2]=4 159 B7R1.4 CC1=CC=NN1C NO19266 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.4 CC1CCOC1=O DY759320 [0,0,0,1,0,0|1,0,1]=3 161 B7R1.4 CC1OCCC1=O NO14135 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.4 CN1CC=CC1=O DY717447 [0,0,0,1,0,0|1,0,0]=2 163 B7R1.4 CN1N=CC=C1Br NO12124 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.4 CN1N=CC=C1N NO22609 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.4 CN1N=CC=C1O NO10399 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.4 CN1N=CCC1=O NO15601 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,0,0,1,0,0|1,0,1]=3 168 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,0,0,1,0,0|1,0,1]=3 169 B7R1.4 NC1CONC1=O NO19264 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.4 N[C@@H]1CONC1=O NO22528 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.4 O=C1CCCC1Cl DY567621 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.4 O=C1NCCC1O DY444274 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.22 CCC(=O)C1CC1 DY566457 [0,0,0,1,0,0|0,0,2]=3 178 B7R1.22 O=C(CO)C1CC1 DY758275 [0,0,0,1,0,0|1,0,2]=4 179 B4R0.1 C=CC(N)=O DY822472 [2,0,0,0,0,0|1,0,0]=3 180 B4R0.1 CC(=O)CBr DY20986 [2,0,0,0,0,0|1,0,0]=3 181 B4R0.1 CC(=O)CN NO10921 [2,0,0,0,0,0|1,0,0]=3 182 B4R0.1 CC(=O)CO NO11467 [2,0,0,0,0,0|1,0,0]=3 183 B4R0.1 CC(=O)NN NO10881 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 CC(=O)NO NO14961 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 CCC(C)I DY740911 [2,0,0,0,0,0|1,0,1]=4 186 B4R0.1 CCC(N)=O NO11886 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.1 COC(N)=O NO11667 [2,0,0,0,0,0|2,0,0]=4 188 B4R0.1 C\C=C(/C)Br DY10255 [2,0,0,0,0,0|1,0,0]=3 189 B4R0.1 NC(=O)CBr NO21389 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.1 NC(=O)CS DY570543 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 NCC(=O)O NO19951 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.1 NCC(=O)[O-] DY20522 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.1 NCC(=O)[O-] DY795873 [2,0,0,0,0,0|2,0,0]=4 194 B4R0.1 NCC(=O)[O-] NO10910 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.1 NCC(N)=O NO13806 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.1 O=C(Br)CBr DY796737 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 O=C(Cl)CBr DY21000 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.1 O=C(O)CO NO19334 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.1 O=C([O-])CS DY822459 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.2 C#C\C=C\C DY822380 [2,0,0,0,0,0|0,0,2]=4 201 B4R0.2 C=CCCN DY740341 [2,0,0,0,0,0|1,0,1]=4 202 B4R0.2 CCNCC NO11240 [2,0,0,0,0,0|1,0,1]=4 203 B4R0.2 COCC=O DY740317 [2,0,0,0,0,0|1,0,1]=4 204 B6R0.2 CC(=O)NC(C)C DY461094 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.2 CC(C)=CC(=O)O NO14947 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.2 CC(C)=CC(N)=O DY795567 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.3 CC(=O)C(C)C=O DY459582 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.3 CCC(=O)C(=O)O NO21626 [1,1,0,0,0,0|1,0,1]=4 209 B6R0.3 CON(C)C(C)=O NO11789 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.4 C=C\C=C\C(=O)O NO12033 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.4 CC(=O)CCCBr NO10305 [1,1,0,0,0,0|0,0,2]=4 212 B6R0.4 CC(=O)CCCCl NO10334 [1,1,0,0,0,0|0,0,2]=4 213 B6R0.4 CC(=O)NCCCl DY33011 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.4 CC\C=C\C(C)=O DY822743 [1,1,0,0,0,0|0,0,0]=2 215 B6R0.4 CSCCC(C)=O DY740809 [1,1,0,0,0,0|0,0,2]=4 216 B6R0.4 NC\C=C\C(=O)O DY552195 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.9 C=CC(CC)CO DY822489 [1,1,0,0,0,0|0,0,2]=4 218 B8R0.2 COC(=O)C(N)C(C)=O DY700224 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.5 CCOC(=O)C=C(C)C NO11345 [0,2,0,0,0,0|0,0,0]=2 220 B8R0.5 CCOC(=O)CC(C)O NO11353 [0,2,0,0,0,0|0,0,2]=4 221 B8R0.5 CCOC(=O)CC(F)F DY586521 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.5 CCOC(=O)CC(N)=O NO18301 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [0,2,0,0,0,0|0,0,2]=4 224 B8R0.5 CCOC(=O)OC(C)Cl NO20668 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.5 CCOC(=O)\C=C(/C)N NO15795 [0,2,0,0,0,0|0,0,0]=2 226 B8R0.19 CCC(=O)CC(=O)CC NO22007 [0,2,0,0,0,0|0,0,1]=3 227 B8R0.19 CCC(=O)CC(=O)OC NO18389 [0,2,0,0,0,0|0,0,1]=3 228 B8R0.19 COC(=O)CC(=O)CCl DY20592 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.19 COC(=O)OC(=O)OC DY528549 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.23 CC(=O)CC(=O)C(F)F DY429540 [0,2,0,0,0,0|1,0,1]=4 231 B8R0.23 CC(C)OC(=O)[C@H](C)N NO14281 [0,2,0,0,0,0|1,0,1]=4 232 B8R0.24 CCC(=O)OC(C)(C)C DY461112 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.1 C#CCCC(=O)CCC DY822712 [0,2,0,0,0,0|0,0,2]=4 234 B8R0.1 CCC#CC(=O)OCC DY560139 [0,2,0,0,0,0|0,0,2]=4 235 B8R0.1 CCOC(=O)CCCCl DY822383 [0,2,0,0,0,0|0,0,2]=4 236 B8R0.1 CCOC(=O)CCCO DY111642 [0,2,0,0,0,0|0,0,2]=4 237 B8R0.1 CCOC(=O)\C=C\C=O NO11394 [0,2,0,0,0,0|0,0,1]=3 238 B8R0.1 CCOCC(=O)OCC DY461136 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.1 CNCC(=O)NCCO DY741259 [0,2,0,0,0,0|1,0,1]=4 240 B8R0.3 C=C(CBr)C(=O)OCC NO11325 [0,2,0,0,0,0|1,0,1]=4 241 B8R0.3 C=C(CO)C(=O)OCC NO20908 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.3 CCNC(=O)[C@@H](N)CC DY116564 [0,2,0,0,0,0|0,0,2]=4 243 B8R0.3 CCOC(=O)C(=O)CBr NO18430 [0,2,0,0,0,0|1,0,1]=4 244 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,2,0,0,0,0|0,0,1]=3 245 B8R0.3 CCOC(=O)C(=O)NN NO13814 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.3 CCOC(=O)C(Br)CBr DY551433 [0,2,0,0,0,0|1,0,1]=4 247 B8R0.3 CCOC(=O)C(Br)OC DY556005 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.3 CCOC(=O)C(C)C#N NO21515 [0,2,0,0,0,0|1,0,1]=4 249 B8R0.3 CCOC(=O)C(N)CO DY439193 [0,2,0,0,0,0|1,0,1]=4 250 B8R0.3 CCOC(=O)[C@@H](N)CO DY553761 [0,2,0,0,0,0|1,0,1]=4 251 B8R0.3 CCOC(=O)[C@@H](N)CO NO17107 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.3 CCOC(=O)[C@H](N)CO NO13449 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.3 CCOC(=O)\C(Cl)=N\O NO16217 [0,2,0,0,0,0|2,0,0]=4 254 B8R0.14 CCOC(=O)C(C)(C)N NO18617 [0,2,0,0,0,0|1,0,1]=4 255 B8R0.14 N\C=C\C(=O)C(F)(F)F DY584796 [0,2,0,0,0,0|2,0,0]=4 256 B6R1.2 CC1=CC=CN1 NO21660 [1,0,0,1,0,0|1,0,1]=4 257 B6R1.2 CC1=CC=CS1 NO21701 [1,0,0,1,0,0|0,1,1]=4 258 B6R1.2 CC1=CC=NN1 DY21108 [1,0,0,1,0,0|2,0,0]=4 259 B6R1.2 CC1=CNC=C1 DY20689 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.2 CC1=NNC=C1 NO13720 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.2 CC1=NOC=C1 NO11533 [1,0,0,1,0,0|2,0,0]=4 262 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,1,0,0|0,0,2]=4 263 B6R1.2 O=C1CCNC1 NO22412 [1,0,0,1,0,0|1,0,1]=4 264 B6R1.2 O=C1CCOC1 NO18178 [1,0,0,1,0,0|1,0,1]=4 265 B6R1.2 O=C1CCSC1 DY20305 [1,0,0,1,0,0|1,0,1]=4 266 B6R1.2 O=C1N=CCO1 DY565077 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.5 C=C1CC(=O)O1 DY732691 [1,0,0,1,0,0|1,0,1]=4 268 B6R1.5 CN1CC(=O)C1 DY533589 [1,0,0,1,0,0|1,0,1]=4 269 B6R1.1 C1=CCNCC1 DY444071 [1,0,0,1,0,0|1,0,1]=4 270 B6R1.1 C1=CCSCC1 DY427366 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.1 C1=COCCC1 DY20500 [1,0,0,1,0,0|1,0,0]=3 272 B8R1.1 CC1=CC(C=O)=CS1 DY443650 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.1 CC1=CC(CBr)=NO1 DY516921 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.1 CC1=CC(CCl)=NN1 DY586450 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.1 CC1=CC(CN)=NO1 DY504243 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.1 CC1=CC(CO)=NN1 NO17779 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.1 CC1=CNC(CO)=C1 DY717969 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.1 CC1=CSC(CO)=N1 DY520509 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.1 CC1=NC=C(CN)S1 DY564495 [0,1,0,1,0,0|1,1,0]=4 280 B8R1.1 CC1=NSC(C=O)=C1 DY116147 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.1 CCC1=CC(C)=CS1 DY447443 [0,1,0,1,0,0|0,1,0]=3 282 B8R1.1 CCC1=CN=C(Br)S1 DY786274 [0,1,0,1,0,0|1,1,0]=4 283 B8R1.1 CCC1=CN=C(N)S1 DY518967 [0,1,0,1,0,0|1,1,0]=4 284 B8R1.1 CCC1=CSC(N)=N1 DY544221 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.1 CCC1=NC=C(C)N1 DY580743 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.1 CCC1=NNC(N)=C1 DY647282 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.1 CCC1=NNC(N)=C1 NO18101 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.1 CCC1=NOC(N)=C1 DY773151 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.1 CC[N+]1=CN(C)C=C1 DY565521 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.1 CN1C=CC(CCl)=N1 DY646990 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.4 CC1=CC(=O)NN=C1 NO10446 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.4 CC1=CC(C)OCC1 DY560031 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.4 CC1=NC=CC(=O)N1 NO22425 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.4 CC1CCNC(=O)N1 DY694421 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.4 CN1CCCC(=O)C1 DY774909 [0,1,0,1,0,0|0,0,2]=4 299 B8R1.4 CN1CCNC(=O)C1 NO13438 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.4 CN1CCOC(=O)C1 NO17566 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,1,0,1,0,0|0,0,2]=4 302 B8R1.4 NC1=CC(=O)COC1 DY777652 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.4 NC1CCNC(=O)C1 NO15459 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.4 O=C1C=C(Br)CCC1 DY560859 [0,1,0,1,0,0|0,0,0]=2 305 B8R1.4 O=C1CCCC(=O)C1 NO19094 [0,1,0,1,0,0|0,0,1]=3 306 B8R1.4 O=C1CCCC(=O)O1 NO11243 [0,1,0,1,0,0|1,0,0]=3 307 B8R1.4 O=C1CCNC(=O)C1 NO18339 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.4 O=C1CNCC(=O)N1 DY585972 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.4 O=C1CNCC(=O)N1 NO19079 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.18 CC1=C(C)OC(=O)O1 NO18029 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.18 CC1=CC(=O)N(C)N1 NO18184 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.18 CC1=CC(=O)OC1O NO22773 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.18 CC1=CC(C)=NN1C NO19810 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.18 CC1=CC(N)=NN1C NO13792 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.18 C[C@H]1NC(=O)OC1=O NO17248 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.18 O=C1CC(Br)C(=O)O1 DY822751 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.29 CC1C(=O)NC1(C)C DY720526 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.34 O=C(O)C=C1CCC1 DY544251 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.2 CCC1=CC=CN=C1 NO22277 [0,1,0,1,0,0|1,0,1]=4 321 B8R1.2 CCC1=NC=CN=C1 NO21534 [0,1,0,1,0,0|1,0,1]=4 322 B8R1.2 COC1=CCCCC1 DY789345 [0,1,0,1,0,0|0,0,2]=4 323 B8R1.2 O=CC1=CCCOC1 NO10171 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.3 CC1=CNC(=O)C=C1 NO21591 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.3 CC1=NNC(=O)C=C1 DY736970 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.3 CC1=NNC(=O)C=C1 NO19836 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,1,0,1,0,0|0,0,2]=4 328 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,1,0,1,0,0|0,0,2]=4 329 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,1,0,1,0,0|0,0,2]=4 330 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,1,0,1,0,0|0,0,2]=4 331 B8R1.3 NC1CCC(=O)NC1 DY444382 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.3 O=C1CCC(=O)CC1 NO19236 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.3 O=C1CCC(=O)NC1 NO21155 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,1,0,1,0,0|0,0,2]=4 335 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.5 CC1=CNC=CC1=O DY502725 [0,1,0,1,0,0|0,0,2]=4 337 B8R1.5 CC1NCCNC1=O DY543543 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.5 CN1N=CC=CC1=O DY736910 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.5 N[C@H]1CCCNC1=O DY106744 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.5 N[C@H]1CCCNC1=O DY554319 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.5 O=C1CCCCC1=O NO20486 [0,1,0,1,0,0|0,0,1]=3 343 B8R1.5 O=C1CCCCC1Br DY573183 [0,1,0,1,0,0|0,0,2]=4 344 B8R1.5 O=C1CCCCN1O DY822177 [0,1,0,1,0,0|1,0,1]=4 345 B8R1.5 O=C1NCCCC1O NO19689 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.5 O=C1NCCC[C@H]1O DY541749 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.5 O=C1NCCNC1=O DY517029 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.5 O=C1OCCCC1O NO16147 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.22 O=C1CCCCCC1 DY461238 [0,1,0,1,0,0|0,0,2]=4 350 B8R1.22 O=C1CCCNCC1 NO19096 [0,1,0,1,0,0|0,0,2]=4 351 B8R1.22 O=C1CCNCCN1 NO18857 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.22 O=C1OCCCCO1 DY770703 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.38 CCC(=O)C1COC1 DY526161 [0,1,0,1,0,0|0,0,2]=4 354 B8R1.50 CC1=C(C)C(=O)N=N1 DY566079 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.50 CC1=C(O)C(=O)CC1 NO16508 [0,1,0,1,0,0|0,0,0]=2 356 B8R1.50 CC1=CNC(=O)C1C DY799551 [0,1,0,1,0,0|0,0,0]=2 357 B8R1.50 CC1=CNC(C)=C1C NO16478 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.50 CC1=NNC(=O)C1Br DY557751 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.50 CC1C(=O)CCC1=O NO21655 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.50 O=C1CCC(=O)N1O NO19674 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.50 O=C1OCC(Br)=C1Br DY525615 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.7 CC(C)C1=CNC=C1 DY447203 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.7 CC(N)C1=CC=CN1 DY717705 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.7 CC(N)C1=CC=CS1 DY585951 [0,1,0,1,0,0|0,1,1]=4 365 B8R1.7 CC(O)C1=CSC=C1 DY786664 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [0,1,0,1,0,0|0,0,2]=4 367 B8R1.7 C[C@@H](O)C1=CC=CS1 DY621687 [0,1,0,1,0,0|0,1,1]=4 368 B8R1.37 CCCC(=O)N1CC1 DY743815 [0,1,0,1,0,0|0,0,2]=4 369 B8R1.8 CSCC1=CC=CO1 DY523785 [0,1,0,1,0,0|0,0,2]=4 370 B8R1.8 NCCC1=CC=CN1 DY717219 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.8 NCCC1=CSC=C1 NO22098 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.8 OCCC1=CC=CS1 NO14939 [0,1,0,1,0,0|0,1,1]=4 373 B8R1.8 OCCC1=CSC=C1 NO20858 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.11 CC1=C(C=O)C=CO1 DY759980 [0,1,0,1,0,0|1,0,1]=4 375 B8R1.11 CCC1=NNC=C1Br DY607581 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.11 CCC1=NNC=C1C DY647288 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.11 CCN1N=CC=C1I DY645242 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.11 CN1N=CC=C1C=O NO18205 [0,1,0,1,0,0|2,0,0]=4 379 B8R2.34 C1=CC2CCC1C2 NO11805 [0,0,0,2,0,0|1,0,1]=4