0 B5R0.3 CNC(=O)CCl MC21094 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 CNC(=O)CN MC437710 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 COC(=O)CN CS15045 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.3 COC(=O)CO CS19433 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.3 COC(=O)CS MC20578 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.3 COC(=O)NN MC20825 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 COC(C)CN CS17733 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 COC(C)CO CS12306 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 O=C(CO)CO CS11245 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 O=CC(=O)CO MC427604 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 C#CC(=O)O MC428031 [1,0,0,0,0,0|0,0,2]=3 11 B4R0.1 C=CC(N)=O MC41857 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(=O)NN CS10881 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CNC(N)=O MC10792 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 CNC(N)=S CS11797 [1,0,0,0,0,0|2,1,0]=4 21 B4R0.1 COC(N)=O CS11667 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 COC(N)=[NH2+] CS11820 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CSC(=N)N MC41956 [1,0,0,0,0,0|2,1,0]=4 24 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 NC(=O)CBr CS21389 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 NCC(=O)[O-] CS10910 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 NCC(=O)[O-] MC20522 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 NCC(N)=O CS13806 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 NCC(N)=O MC437712 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 NNC(N)=O CS11949 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 O=C(Cl)CBr MC21000 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 O=C([O-])CCl MC41872 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 C=CCNN MC107856 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 C=CC[Pd]Cl MC444917 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.2 COCC#N MC40783 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 COCCCl MC428007 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 C\C=C\C=O MC41879 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.1 C#CC(=O)OCC MC434052 [0,1,0,0,0,0|0,0,2]=3 47 B6R0.1 CCCC(=O)NN CS22544 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.1 CCNC(=O)NC MC428152 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.1 CCOC(=O)CBr MC41907 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.1 CCOC(=O)CCl MC41910 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.1 CCOC(=O)CN CS15347 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.1 CCOC(=O)CO CS11386 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.1 CCOC(=O)NN CS11383 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 CNC(=O)CC#N CS18404 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CNC(=O)CCN MC112263 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.1 CNCC(=O)OC MC438154 [0,1,0,0,0,0|0,0,2]=3 57 B6R0.1 COC(=O)C#CBr MC427266 [0,1,0,0,0,0|0,0,2]=3 58 B6R0.1 COC(=O)CC#N MC428339 [0,1,0,0,0,0|0,0,2]=3 59 B6R0.1 COC(=O)CCBr CS18993 [0,1,0,0,0,0|0,0,2]=3 60 B6R0.1 COC(=O)CCN CS22266 [0,1,0,0,0,0|0,0,2]=3 61 B6R0.1 COC(=O)\C=C\I MC20613 [0,1,0,0,0,0|0,0,0]=1 62 B6R0.1 COCC(=O)NN CS11580 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.1 C\C=C\C(=O)OC MC41953 [0,1,0,0,0,0|0,0,0]=1 64 B6R0.1 O=C(CCl)NCO CS14580 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 CCC(=O)C(=O)O CS21626 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.3 CN(C)C(=O)CBr CS14025 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 CN(C)C(=O)CN CS21306 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 CN(C)C(=O)CN MC116188 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 CN(C)C(=O)CN MC437713 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 CNC(=O)C(C)N MC436151 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.3 COC(=O)C(C)Br CS14958 [0,1,0,0,0,0|0,0,2]=3 72 B6R0.3 COC(=O)C(C)C MC41931 [0,1,0,0,0,0|0,0,2]=3 73 B6R0.3 COC(=O)C(C)Cl CS15798 [0,1,0,0,0,0|0,0,2]=3 74 B6R0.3 COC(=O)C(C)N CS14901 [0,1,0,0,0,0|0,0,2]=3 75 B6R0.3 COC(=O)C(C)N CS16663 [0,1,0,0,0,0|0,0,2]=3 76 B6R0.3 COC(=O)C(C)N CS22242 [0,1,0,0,0,0|0,0,2]=3 77 B6R0.3 COC(=O)C(C)O MC20343 [0,1,0,0,0,0|0,0,2]=3 78 B6R0.3 COC(=O)C(F)F MC32025 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.3 COC(=O)C(N)=S MC430693 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.3 COC(C)C(=O)O CS14024 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 COC(C)C(=O)O MC425243 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 CON(C)C(C)=O CS11789 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.8 COS(=O)(=O)OC MC41901 [0,1,0,0,0,0|2,0,1]=4 85 B6R1.2 BrC1=CC=CS1 CS21414 [0,0,0,1,0,0|1,1,1]=4 86 B6R1.2 BrC1=CC=C[Se]1 MC114898 [0,0,0,1,0,0|1,1,1]=4 87 B6R1.2 BrC1=CC=NN1 CS17757 [0,0,0,1,0,0|3,0,0]=4 88 B6R1.2 BrC1=CN=CO1 MC105695 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.2 BrC1=COC=C1 CS19877 [0,0,0,1,0,0|3,0,0]=4 90 B6R1.2 BrC1=CSC=C1 CS21415 [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 BrC1=NC=CO1 MC104314 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.2 BrC1=NNC=C1 CS19717 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 BrC1=NOC=C1 MC113742 [0,0,0,1,0,0|3,0,0]=4 94 B6R1.2 BrC1=NSC=C1 CS11529 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 CC1=CC=CN1 CS21660 [0,0,0,1,0,0|2,0,1]=4 96 B6R1.2 CC1=CC=CO1 MC41695 [0,0,0,1,0,0|1,0,1]=3 97 B6R1.2 CC1=CC=CS1 CS21701 [0,0,0,1,0,0|1,1,1]=4 98 B6R1.2 CC1=CC=NN1 MC21108 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.2 CC1=CNC=C1 MC20689 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.2 CC1=NC=CO1 CS11827 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 CC1=NNC=C1 CS13720 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 CC1=NOC=C1 CS11533 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.2 ClC1=CC=NN1 CS16937 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.2 ClC1=NC=CO1 MC106420 [0,0,0,1,0,0|2,0,1]=4 105 B6R1.2 ClC1=NNC=C1 MC103128 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.2 FC1=CC=NN1 MC104307 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.2 IC1=CC=CS1 CS21616 [0,0,0,1,0,0|1,1,1]=4 108 B6R1.2 IC1=CSC=C1 CS22332 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.2 IC1=NC=CO1 MC103755 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 IC1=NNC=C1 CS13669 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.2 NC1=CC=NS1 MC20989 [0,0,0,1,0,0|2,1,0]=4 112 B6R1.2 NC1=CSC=C1 CS12280 [0,0,0,1,0,0|3,0,0]=4 113 B6R1.2 NC1=NC=CO1 CS19070 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 NC1=NNC=C1 CS22527 [0,0,0,1,0,0|3,0,0]=4 115 B6R1.2 NC1=NOC=C1 CS14368 [0,0,0,1,0,0|3,0,0]=4 116 B6R1.2 O=C1C=CNN1 MC106502 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.2 O=C1C=CON1 MC442265 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 O=C1C=CSN1 MC427073 [0,0,0,1,0,0|2,0,0]=3 119 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|1,0,2]=4 121 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.2 O=C1NC=CN1 MC20853 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,1,0,0|1,1,1]=4 128 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,1,0,0|1,0,1]=3 129 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,0,0|0,0,2]=3 130 B3R0.1 C=CCBr MC41858 [2,0,0,0,0,0|1,0,1]=4 131 B3R0.1 C=C[Mg]Br MC10627 [2,0,0,0,0,0|2,0,0]=4 132 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|1,0,1]=4 133 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|1,0,1]=4 134 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,1]=3 135 B3R0.1 Cl\C=C\Cl MC41969 [2,0,0,0,0,0|2,0,0]=4 136 B3R0.2 C=C(C)Br MC440274 [2,0,0,0,0,0|1,0,0]=3 137 B3R0.2 CC(=O)Cl MC40433 [2,0,0,0,0,0|1,0,0]=3 138 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|0,0,1]=3 139 B3R0.2 CC(=O)[O-] CS11168 [2,0,0,0,0,0|1,0,0]=3 140 B3R0.2 CC(=O)[O-] CS11832 [2,0,0,0,0,0|1,0,0]=3 141 B3R0.2 CC(=O)[O-] MC41921 [2,0,0,0,0,0|1,0,0]=3 142 B3R0.2 CC(N)=O MC40849 [2,0,0,0,0,0|1,0,0]=3 143 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|0,1,1]=4 144 B3R0.2 CS(=O)[O-] MC434050 [2,0,0,0,0,0|2,0,0]=4 145 B3R0.2 C[N+](=O)[O-] MC41935 [2,0,0,0,0,0|2,0,0]=4 146 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,0,1]=4 147 B3R0.2 O=C([O-])[O-] CS11119 [2,0,0,0,0,0|1,0,1]=4 148 B3R0.2 O=S([O-])O MC445110 [2,0,0,0,0,0|2,0,0]=4 149 B3R0.2 O=S([O-])O MC445111 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.2 O=[PH](O)O MC34534 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 C=C(C)CCBr CS14513 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.1 CC#CC(=O)O MC20776 [1,1,0,0,0,0|0,0,2]=4 153 B5R0.1 CC(=O)\C=N\O CS11520 [1,1,0,0,0,0|1,0,0]=3 154 B5R0.1 CC(=O)\C=N\O CS18968 [1,1,0,0,0,0|1,0,0]=3 155 B5R0.1 CC(C)=CCBr MC41900 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 CCCC(C)=O CS21731 [1,1,0,0,0,0|0,0,2]=4 157 B5R0.1 CCOC(=N)N CS11818 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.1 CNCC(=O)O CS18595 [1,1,0,0,0,0|0,0,2]=4 159 B5R0.1 CNCC(N)=O MC438151 [1,1,0,0,0,0|2,0,0]=4 160 B5R0.1 COCC(=O)Cl MC40491 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.1 COCC(=O)O CS11579 [1,1,0,0,0,0|1,0,0]=3 162 B5R0.1 COCC(N)=O MC41924 [1,1,0,0,0,0|1,0,0]=3 163 B5R0.1 COCC(N)=S MC102255 [1,1,0,0,0,0|1,1,0]=4 164 B5R0.1 CSCC(=O)Cl MC106201 [1,1,0,0,0,0|1,1,0]=4 165 B5R0.1 CSCC(N)=O CS12608 [1,1,0,0,0,0|1,1,0]=4 166 B5R0.1 C\C=C\B(O)O MC116392 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 C\C=C\C(=O)O MC41882 [1,1,0,0,0,0|0,0,0]=2 168 B5R0.1 N#CCC(=O)O MC41881 [1,1,0,0,0,0|0,0,2]=4 169 B5R0.1 NCCC(=O)O CS13499 [1,1,0,0,0,0|0,0,2]=4 170 B5R0.1 NCCC(N)=O MC436150 [1,1,0,0,0,0|2,0,0]=4 171 B5R0.1 O=C(O)CCO MC20638 [1,1,0,0,0,0|0,0,2]=4 172 B5R0.4 COS(C)(=O)=O MC445529 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.5 CC(=O)C(=O)O MC41939 [1,1,0,0,0,0|0,0,1]=3 174 B5R0.5 CC(Br)C(=O)O MC20444 [1,1,0,0,0,0|0,0,2]=4 175 B5R0.5 CC(C)C(=O)Cl MC40490 [1,1,0,0,0,0|2,0,0]=4 176 B5R0.5 CC(C)C(N)=O CS21696 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.5 CC(Cl)C(=O)O MC20315 [1,1,0,0,0,0|0,0,2]=4 178 B5R0.5 CC(Cl)C(=O)O MC436860 [1,1,0,0,0,0|0,0,2]=4 179 B5R0.5 CC(F)C(=O)O MC429445 [1,1,0,0,0,0|0,0,2]=4 180 B5R0.5 CC(N)C(=O)O CS18992 [1,1,0,0,0,0|0,0,2]=4 181 B5R0.5 CC(N)C(=O)O CS19143 [1,1,0,0,0,0|0,0,2]=4 182 B5R0.5 CC(N)C(=O)O MC428047 [1,1,0,0,0,0|0,0,2]=4 183 B5R0.5 CC(N)C(N)=O CS15732 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.5 CC(N)C(N)=O CS22529 [1,1,0,0,0,0|2,0,0]=4 185 B5R0.5 CC(N)C(N)=O MC436152 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.5 CC(N)C(N)=O MC436153 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.5 CC(O)C(=O)O MC437817 [1,1,0,0,0,0|0,0,2]=4 188 B5R0.5 CN(C)C(=O)Cl MC428263 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.5 NC(=O)C(N)=O MC20822 [1,1,0,0,0,0|2,0,0]=4 190 B5R0.5 O=C(O)C(=O)O CS11387 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.5 O=C(O)C(=O)O MC425345 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.5 O=C(O)C(F)F MC20641 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.2 C=CCCON MC110761 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.2 CC(C)OC(=O)CO CS11522 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,2,0,0,0,0|0,0,2]=4 199 B7R0.2 COC(=O)CC(=O)O CS13436 [0,2,0,0,0,0|0,0,1]=3 200 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,2,0,0,0,0|0,0,1]=3 201 B7R0.2 COC(=O)CC(C)=O MC41927 [0,2,0,0,0,0|0,0,1]=3 202 B7R0.2 COC(=O)CC(C)O CS11584 [0,2,0,0,0,0|0,0,2]=4 203 B7R0.2 COC(=O)C[N+](=O)[O-] MC41932 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,2,0,0,0,0|0,0,0]=2 205 B7R0.3 C#CCCC(=O)OC MC424002 [0,2,0,0,0,0|0,0,2]=4 206 B7R0.3 C=CCOC(=O)CCl MC428296 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.3 COC(=O)CCC=O MC21172 [0,2,0,0,0,0|0,0,1]=3 208 B7R0.3 COC(=O)CCCBr MC427387 [0,2,0,0,0,0|0,0,2]=4 209 B7R0.3 COC(=O)CCCN MC439309 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.3 COC(=O)CN=[N+]=[N-] MC428311 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,2,0,0,0,0|0,0,0]=2 212 B7R0.3 COCCC(=O)NN MC111753 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,2,0,0,0,0|0,0,0]=2 214 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.5 CCOC(=O)C(C)F MC439605 [0,2,0,0,0,0|0,0,2]=4 216 B7R0.5 CCOC(=O)C(C)N CS15404 [0,2,0,0,0,0|0,0,2]=4 217 B7R0.5 CCOC(=O)C(C)N MC436160 [0,2,0,0,0,0|0,0,2]=4 218 B7R0.5 CCOC(=O)C(C)O CS20075 [0,2,0,0,0,0|0,0,2]=4 219 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.5 CCOC(=O)C(F)F CS11385 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.5 CCOC(=O)C(N)=S CS11392 [0,2,0,0,0,0|1,0,0]=3 223 B7R0.7 CC#CC(=O)OCC CS10117 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.7 CCOC(=O)CC#N MC41911 [0,2,0,0,0,0|0,0,2]=4 225 B7R0.7 CCOC(=O)CCN CS14330 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.7 CCOC(=O)CNC CS17068 [0,2,0,0,0,0|0,0,2]=4 227 B7R0.7 CCOC(=O)CNN CS19987 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.7 CCOC(=O)COC CS11389 [0,2,0,0,0,0|0,0,2]=4 229 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,2,0,0,0,0|0,0,0]=2 230 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,2,0,0,0,0|0,0,0]=2 231 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,2,0,0,0,0|0,0,2]=4 232 B7R0.10 CCC(N)C(=O)OC MC436010 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.10 CNC(C)C(=O)OC MC437898 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,2,0,0,0,0|0,0,1]=3 235 B7R0.10 COC(=O)C(C)CBr MC428281 [0,2,0,0,0,0|0,0,2]=4 236 B7R0.10 COC(=O)C(F)CO CS17081 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.10 COC(=O)C(N)CCl CS22615 [0,2,0,0,0,0|0,0,2]=4 238 B7R0.10 COC(=O)C(N)CCl MC418493 [0,2,0,0,0,0|0,0,2]=4 239 B7R0.10 COC(=O)C(N)CCl MC436854 [0,2,0,0,0,0|0,0,2]=4 240 B7R0.10 COC(=O)C(N)CO CS16778 [0,2,0,0,0,0|0,0,2]=4 241 B7R0.10 COC(=O)C(N)CO CS16785 [0,2,0,0,0,0|0,0,2]=4 242 B7R0.10 COC(=O)C(N)CO CS22621 [0,2,0,0,0,0|0,0,2]=4 243 B7R0.10 COC(=O)C(N)CS CS13863 [0,2,0,0,0,0|0,0,2]=4 244 B7R0.10 COC(=O)C(N)CS MC110561 [0,2,0,0,0,0|0,0,2]=4 245 B7R0.10 COC(=O)C(O)CO MC429048 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.10 CON(C)C(=O)CCl MC33020 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.13 C=CS(=O)(=O)N(C)C CS12264 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.14 COC(=O)C(C)(C)F CS11604 [0,2,0,0,0,0|0,0,2]=4 249 B7R0.14 COC(=O)C(C)(C)N CS17071 [0,2,0,0,0,0|0,0,2]=4 250 B7R0.14 COC(=O)C(F)(F)Cl MC439609 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.14 COC(=O)C(F)(F)F MC32021 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,2,0,0,0,0|2,0,0]=4 254 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|0,0,2]=4 255 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|1,0,1]=4 256 B5R1.2 O=C1CNC1 MC444241 [1,0,0,1,0,0|1,0,1]=4 257 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|1,0,1]=4 258 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|1,0,1]=4 259 B5R1.3 C=CC1CO1 MC428261 [1,0,0,1,0,0|0,0,2]=4 260 B5R1.1 C1=CCNC1 MC10278 [1,0,0,1,0,0|1,0,1]=4 261 B5R1.1 C1=CNC=C1 MC20798 [1,0,0,1,0,0|1,0,1]=4 262 B5R1.1 C1=CNN=C1 CS18933 [1,0,0,1,0,0|2,0,0]=4 263 B5R1.1 C1=CON=C1 MC20462 [1,0,0,1,0,0|1,0,0]=3 264 B5R1.1 C1=CSC=C1 MC41709 [1,0,0,1,0,0|0,1,1]=4 265 B5R1.1 C1=CSN=C1 MC20995 [1,0,0,1,0,0|1,1,0]=4 266 B5R1.1 C1=C[CH-]C=C1 MC21078 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.1 BrCC1=CC=NO1 MC114075 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.1 CCC1=NC=CN1 CS21533 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.1 CNC1=NC=CS1 CS12598 [0,1,0,1,0,0|1,1,0]=4 270 B7R1.1 COC1=CSC=C1 CS22351 [0,1,0,1,0,0|0,1,0]=3 271 B7R1.1 COC1=NC=CS1 CS22597 [0,1,0,1,0,0|0,1,0]=3 272 B7R1.1 CSC1=NC=CO1 CS17723 [0,1,0,1,0,0|0,1,1]=4 273 B7R1.1 ClCC1=CC=CO1 CS13429 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.1 N#CC1=CC=NO1 CS17495 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.1 NCC1=CC=CO1 MC41689 [0,1,0,1,0,0|1,0,1]=4 276 B7R1.1 O=CC1=CC=CN1 CS17764 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.1 O=CC1=CC=CN1 MC434011 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.1 O=CC1=CC=CO1 MC41686 [0,1,0,1,0,0|0,0,1]=3 279 B7R1.1 O=CC1=CC=CS1 CS16400 [0,1,0,1,0,0|0,1,1]=4 280 B7R1.1 O=CC1=CCCC1 CS12865 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.1 O=CC1=CN=CO1 MC100355 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.1 O=CC1=CNC=C1 CS20728 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.1 O=CC1=CSC=C1 CS14553 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.1 O=CC1=NNC=C1 CS18284 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.1 OCC1=CC=CO1 MC41687 [0,1,0,1,0,0|0,0,2]=4 286 B7R1.1 OCC1=CC=NO1 CS15343 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.2 CC1=CC(Br)=NO1 MC113406 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.2 CC1=CC=C(Br)S1 CS22735 [0,1,0,1,0,0|1,1,0]=4 293 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.2 CC1=NN(C)C=C1 CS20520 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.2 CC1COC(=O)N1 CS14300 [0,1,0,1,0,0|0,0,2]=4 299 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,1,0,0|0,0,2]=4 300 B7R1.2 CN1C=CC(=O)N1 CS17197 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.2 CN1C=CC(Br)=N1 CS20720 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.2 CN1C=CC(I)=N1 MC442844 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.2 CN1C=CC(N)=C1 CS17699 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.2 CN1C=CC(N)=N1 CS13878 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.2 NC1=CC(=O)NN1 CS13152 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,1,0,0|0,0,2]=4 307 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,1,0,0|0,0,2]=4 308 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,1,0,1,0,0|1,0,0]=3 309 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,1,0,1,0,0|1,0,1]=4 312 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,1,0,1,0,0|1,1,0]=4 313 B7R1.2 O=C1NOC(=O)N1 MC115169 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.3 O=C1C=CC=CN1 CS18724 [0,1,0,1,0,0|1,0,1]=4 315 B7R1.3 O=C1C=CC=NN1 CS19793 [0,1,0,1,0,0|1,0,1]=4 316 B7R1.3 O=C1C=CCCC1 MC41883 [0,1,0,1,0,0|1,0,0]=3 317 B7R1.3 O=C1C=CCCN1 CS15771 [0,1,0,1,0,0|1,0,0]=3 318 B7R1.3 O=C1C=CCOC1 CS17023 [0,1,0,1,0,0|0,0,0]=2 319 B7R1.3 O=C1C=CN=CN1 CS19105 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.3 O=C1C=CNN=C1 MC427203 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.3 O=C1CCCCO1 CS11208 [0,1,0,1,0,0|0,0,2]=4 322 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|0,0,2]=4 323 B7R1.3 O=C1CNCCO1 MC441004 [0,1,0,1,0,0|0,0,2]=4 324 B7R1.3 O=C1COCCN1 CS11697 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.3 O=C1COCCO1 MC20725 [0,1,0,1,0,0|0,0,2]=4 326 B7R1.4 CC1=C(Br)SC=C1 CS13700 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.4 CC1=CC=NN1C CS19266 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.4 CC1=CSC=C1Br MC441134 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.4 CC1=CSC=C1N MC427269 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.4 CN1C=CN=C1Br MC428146 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.4 CN1C=CN=C1I CS21609 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.4 CN1C=NC=C1Br CS17783 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.4 CN1C=NC=C1F MC429980 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.4 CN1C=NC=C1I CS16077 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.4 CN1C=NC=C1N CS17122 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.4 CN1C=NC=C1N MC106511 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.4 CN1N=CC=C1Br CS12124 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.4 CN1N=CC=C1N CS22609 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.4 CN1N=CC=C1O CS10399 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.4 CN1N=CCC1=O CS15601 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|0,0,2]=4 342 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|0,0,2]=4 343 B7R1.4 NC1CONC1=O CS19264 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.4 NC1CONC1=O CS22528 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.4 NC1CONC1=O MC436879 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.4 NN1CCOC1=O MC102926 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.22 COC(=O)C1CC1 MC41839 [0,1,0,1,0,0|0,0,2]=4 349 B7R1.14 O=S1(=O)C=CCO1 CS13255 [0,1,0,1,0,0|1,0,0]=3