0 B6R0.9 CCN(CC)CC MC426119 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.9 CCP(CC)CC MC444861 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.9 CCP(CC)CC MC444910 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.9 CC[SiH](CC)CC MC41948 [0,0,0,0,0,0|1,1,1]=3 4 B6R0.9 COC(CBr)OC MC428001 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.9 COC(CCl)OC MC428004 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.9 COC(CN)OC MC428005 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.9 COC(OC)OC MC41951 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 C=C(CO)CO CS21689 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 CCC(C)[Zn]Br MC121335 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.3 CCC(N)CO CS15119 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.3 CCC(N)CO MC10528 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.3 CCC(N)CO MC20718 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.3 CCC(N)CO MC436159 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.3 CCC(O)CO CS15622 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.3 CNC(=O)CCl MC21094 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 CNC(=O)CN MC437710 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 COC(=O)CN CS15045 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 COC(=O)CO CS19433 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 COC(=O)CS MC20578 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.3 COC(C)CN CS17733 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 COC(C)CO CS12306 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.3 NC(CO)CO CS18352 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.3 NCC(O)CCl MC427329 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 NCC(O)CN CS14232 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 NCC(O)CO CS14832 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.3 NCC(O)CO CS18397 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 NCC(O)CO MC20311 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 O=C(CO)CO CS11245 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.3 O=CC(=O)CO MC427604 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 O=CC(Br)C=O CS18151 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 O=CC(O)CO MC107096 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 O=CC(O)CO MC20361 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 O=CC(O)CO MC20362 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.3 OC(CCl)CCl MC428012 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 OC(CF)CF MC429449 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 OCC(O)CCl CS15061 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 OCC(O)CCl MC20314 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.12 CCN(CC)CCCl CS16184 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.12 CCN(CC)CCN MC21046 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.12 COC(CSC)OC MC10796 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.15 CCC(CC)C(=O)[O-] MC21097 [0,1,0,0,0,0|0,0,0]=1 42 B7R0.15 CCC(CC)C(C)=O MC425625 [0,1,0,0,0,0|0,0,0]=1 43 B7R0.15 CCC(CN)C(=O)O MC105840 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.15 CCC(CN)C(=O)O MC105841 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.15 CCN(CC)C(=S)[S-] MC20803 [0,1,0,0,0,0|1,1,0]=3 46 B7R0.15 CC[N+](CC)=S(F)F MC426108 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.15 CNC(CO)C(=O)O MC435500 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.15 CNC(CO)C(=O)O MC437945 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.15 COC(OC)C(C)=O MC20526 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.18 CCC(N)(CO)CO CS21221 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.18 CC[Si](Cl)(CC)CC MC439152 [0,1,0,0,0,0|1,1,1]=4 52 B7R1.1 BrCC1CCCC1 MC20145 [0,0,0,1,0,0|1,0,1]=3 53 B7R1.1 BrCC1CCCN1 MC114648 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.1 BrCC1CCCO1 MC106365 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.1 C#CC1CCOC1 MC103679 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.1 CCC1CCCN1 MC110951 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.1 CNC1CCOC1 MC104966 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.1 CNC1CCOC1 MC105597 [0,0,0,1,0,0|1,0,2]=4 60 B7R1.1 COC1CCCN1 MC41692 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.1 COC1CCNC1 CS12136 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.1 COC1CCNC1 CS12137 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 COC1CCNC1 CS22350 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.1 FCC1CCCN1 MC100102 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.1 FCC1CCNC1 MC103199 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.1 N#CC1CCCC1 MC433761 [0,0,0,1,0,0|1,0,1]=3 67 B7R1.1 N#CC1CCCN1 MC104069 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.1 N#CC1CCOC1 MC103877 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.1 N#CC1CCOC1 MC103878 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 NCC1CCCC1 CS14873 [0,0,0,1,0,0|1,0,1]=3 71 B7R1.1 NCC1CCCN1 CS15469 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.1 NCC1CCCN1 CS15745 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.1 NCC1CCNC1 MC431426 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.1 NCC1CCOC1 MC102307 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.1 NCC1CCOC1 MC103862 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.1 NCC1CCOC1 MC115675 [0,0,0,1,0,0|1,0,2]=4 77 B7R1.1 NCC1CCOC1 MC121256 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.1 O=CC1=CCCC1 CS12865 [0,0,0,1,0,0|0,0,2]=3 79 B7R1.1 O=CC1CCCC1 MC21048 [0,0,0,1,0,0|0,0,0]=1 80 B7R1.1 OCC1CCCC1 CS11185 [0,0,0,1,0,0|0,0,2]=3 81 B7R1.1 OCC1CCCN1 CS17003 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.1 OCC1CCCN1 CS22640 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.1 OCC1CCCO1 MC20392 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.1 OCC1CCNC1 CS11284 [0,0,0,1,0,0|1,0,2]=4 85 B7R1.1 OCC1CCNC1 CS16764 [0,0,0,1,0,0|1,0,2]=4 86 B7R1.1 OCC1CCNC1 CS18341 [0,0,0,1,0,0|1,0,2]=4 87 B7R1.1 OCC1CCNC1 MC102405 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.1 OCC1CCNC1 MC115660 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.1 OCC1CCOC1 MC113000 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.1 OCC1CCOC1 MC113001 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.1 OCC1CCOC1 MC427704 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.8 CN1CCC1CN MC104666 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.8 CN1CCC1CN MC104667 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.8 CN1CCC1CN MC105491 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.8 O=C1CCC1CO MC104211 [0,0,0,1,0,0|1,0,0]=2 96 B7R1.8 O=C1CCC1CO MC104212 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.8 O=C1CCC1CO MC104213 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.29 N#CC1(CN)CC1 MC428177 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.29 N#CC1(CN)CC1 MC428191 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.29 OCC1(CO)CC1 MC20742 [0,0,0,1,0,0|1,0,2]=4 101 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.1 CC(C)C#N MC41920 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.1 CC(C)NN CS11525 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 CC(C)ON CS13668 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 CC(C)[Zn]Br MC121350 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 CC(Cl)CO CS20251 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 CC(Cl)CO MC428270 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 CC(N)CN CS20323 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 CC(N)CN MC10147 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 CC(N)CO CS14182 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.1 CC(N)CO CS19476 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.1 CC(N)CO CS21310 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 CC(O)CCl MC20696 [2,0,0,0,0,0|1,0,1]=4 116 B4R0.1 CC(O)CCl MC20697 [2,0,0,0,0,0|1,0,1]=4 117 B4R0.1 CC(O)CN CS14075 [2,0,0,0,0,0|1,0,1]=4 118 B4R0.1 CC(O)CO MC20330 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|0,0,1]=3 120 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,0]=2 123 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.2 CCC[Zn]Br MC121348 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|1,0,0]=3 126 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,0]=3 128 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|1,0,0]=3 130 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,2]=4 133 B4R0.2 ClCCCBr MC41861 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.2 NCCCBr CS22190 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.2 NCCCS MC428180 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.2 [NH3+]CCCS MC428140 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.1 CCC(C)CCBr MC112369 [1,1,0,0,0,0|0,0,1]=3 138 B6R0.1 CCCC(C)CBr MC112368 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.1 CCCC(O)CO CS20495 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.1 CCNC(=O)NC MC428152 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.1 CCOC(=O)CBr MC41907 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.1 CCOC(=O)CCl MC41910 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.1 CCOC(=O)CN CS15347 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.1 CCOC(=O)CO CS11386 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.1 CNC(=O)CCN MC112263 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.1 CNCC(=O)OC MC438154 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.1 COC(=O)CCBr CS18993 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.1 COC(=O)CCN CS22266 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.1 OC(CBr)CCBr MC107100 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.1 OC(CBr)CCBr MC107101 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.1 OCCC(O)CO MC42234 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.3 CC(C)C(C)CO MC113312 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.3 CC(C)C(N)CO CS17224 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.3 CC(C)C(N)CO CS22659 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.3 CC(CN)C(=O)O MC105846 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.3 CC(CN)C(=O)O MC105847 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.3 CC(O)C(N)CO MC438221 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.3 CCC(N)C(N)=O CS15891 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.3 CCC(N)C(N)=O MC436006 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.3 CNC(=O)C(C)N MC436151 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.3 CNC(C)C(=O)O MC428068 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.3 CNC(C)C(=O)O MC428076 [1,1,0,0,0,0|1,0,0]=3 170 B6R0.3 CNC(C)C(=O)O MC428084 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.3 COC(=O)C(C)Br CS14958 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.3 COC(=O)C(C)C MC41931 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.3 COC(=O)C(C)Cl CS15798 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.3 COC(=O)C(C)N CS14901 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.3 COC(=O)C(C)N CS16663 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.3 COC(=O)C(C)N CS22242 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.3 COC(=O)C(C)O MC20343 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.3 COC(C)C(=O)O CS14024 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.3 COC(C)C(=O)O MC425243 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.3 CON(C)C(C)=O CS11789 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.3 NC(=O)C(N)CO MC438160 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.3 NC(CCl)C(=O)O MC436849 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.3 NC(CCl)C(=O)O MC436850 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.3 NC(CCl)C(=O)O MC436851 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.3 NC(CCl)C(=O)O MC436852 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 NC(CF)C(=O)O MC437009 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.3 NC(CO)C(=O)O CS14731 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.3 NC(CO)C(=O)O CS18949 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.3 NC(CO)C(=O)O CS19144 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.3 NC(CS)C(=O)O CS19113 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.3 NC(CS)C(=O)O CS19417 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.3 NC(CS)C(=O)O CS19655 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.3 NC(CS)C(=O)O MC428046 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 NC(CS)C(=O)O MC436887 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.3 NC(CS)C(=O)O MC436888 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.3 NC(CS)C(=O)O MC439001 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.3 NC(C[SeH])C(=O)O MC435423 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.3 NCC(N)C(=O)O CS14756 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.3 NCC(N)C(=O)O CS19624 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.3 NCC(N)C(=O)O CS19672 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.3 NCC(O)C(=O)O CS20294 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.3 NCC(O)C(=O)O MC437816 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.3 O=C(O)C(Br)CBr CS15215 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.3 O=C(O)C(O)CCl MC10790 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.8 C#CC(C)(N)CC CS22059 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.8 CC(C)(C=O)CO MC21089 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.8 CCC(Br)(Br)C=O MC106928 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.8 CCC(C)(N)C#N CS17000 [1,1,0,0,0,0|1,0,1]=4 209 B8R0.15 CCCC(NC)C(=O)O MC435490 [0,2,0,0,0,0|1,0,0]=3 210 B8R0.15 CCCC(NC)C(=O)O MC437925 [0,2,0,0,0,0|1,0,0]=3 211 B8R0.20 CCN(CC)C(=O)CCl MC21099 [0,2,0,0,0,0|1,0,0]=3 212 B8R0.20 CNC(CO)C(=O)OC MC435501 [0,2,0,0,0,0|2,0,0]=4 213 B8R0.20 CNC(CO)C(=O)OC MC435502 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.20 COC(=O)C(CN)CN MC115963 [0,2,0,0,0,0|2,0,0]=4 215 B8R0.22 C#CC(OCC)OCC CS11884 [0,2,0,0,0,0|1,0,1]=4 216 B8R0.22 CCOC(CBr)OCC MC20525 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.22 CCOC(CCl)OCC MC428003 [0,2,0,0,0,0|1,0,1]=4 218 B8R0.22 CCOC(CN)OCC MC428006 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.22 CCOC(CO)OCC CS19208 [0,2,0,0,0,0|0,0,2]=4 220 B8R0.18 CC(C)N(C=O)C(C)C MC33009 [0,2,0,0,0,0|1,0,0]=3 221 B8R0.18 CNC(C(=O)O)C(C)C MC437989 [0,2,0,0,0,0|1,0,0]=3 222 B8R0.18 CNC(C(=O)O)C(C)C MC437990 [0,2,0,0,0,0|1,0,0]=3 223 B8R0.18 CNC(C(=O)O)C(C)O MC435508 [0,2,0,0,0,0|1,0,0]=3 224 B8R0.18 CNC(C(=O)O)C(C)O MC437968 [0,2,0,0,0,0|1,0,0]=3 225 B8R0.36 CC(CO)(CO)C(=O)O CS20965 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.36 CCC(C)(CC)C(=O)O MC105694 [0,2,0,0,0,0|0,0,0]=2 227 B8R0.36 CCC(N)(CC)C(=O)O MC439327 [0,2,0,0,0,0|0,0,0]=2 228 B8R0.36 COC(C)(OC)C(C)=O CS21903 [0,2,0,0,0,0|2,0,0]=4 229 B6R1.2 BrC1CCNC1 CS15742 [1,0,0,1,0,0|2,0,0]=4 230 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,1,0,0|2,0,0]=4 231 B6R1.2 CC1CCCN1 CS18299 [1,0,0,1,0,0|1,0,1]=4 232 B6R1.2 CC1CCCN1 CS18800 [1,0,0,1,0,0|1,0,1]=4 233 B6R1.2 CC1CCCN1 CS19735 [1,0,0,1,0,0|1,0,1]=4 234 B6R1.2 CC1CCCN1 CS21699 [1,0,0,1,0,0|1,0,1]=4 235 B6R1.2 CC1CCCN1 CS21700 [1,0,0,1,0,0|1,0,1]=4 236 B6R1.2 CC1CCCN1 MC428345 [1,0,0,1,0,0|1,0,1]=4 237 B6R1.2 CC1CCCO1 MC20580 [1,0,0,1,0,0|1,0,1]=4 238 B6R1.2 FC1CCNC1 CS12894 [1,0,0,1,0,0|2,0,0]=4 239 B6R1.2 FC1CCNC1 CS14870 [1,0,0,1,0,0|2,0,0]=4 240 B6R1.2 FC1CCNC1 MC31003 [1,0,0,1,0,0|2,0,0]=4 241 B6R1.2 IC1CCOC1 MC101926 [1,0,0,1,0,0|2,0,0]=4 242 B6R1.2 NC1CCOC1 CS12010 [1,0,0,1,0,0|2,0,0]=4 243 B6R1.2 NC1CCOC1 CS13003 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.2 NC1CCOC1 CS20366 [1,0,0,1,0,0|2,0,0]=4 245 B6R1.2 NC1CCOC1 MC443324 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.2 NC1CCOC1 MC444237 [1,0,0,1,0,0|2,0,0]=4 247 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|0,0,1]=3 248 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|1,0,1]=4 249 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|1,0,1]=4 250 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|1,0,1]=4 251 B6R1.2 OC1CCNC1 CS16166 [1,0,0,1,0,0|1,0,1]=4 252 B6R1.2 OC1CCNC1 CS16635 [1,0,0,1,0,0|1,0,1]=4 253 B6R1.2 OC1CCNC1 CS16650 [1,0,0,1,0,0|1,0,1]=4 254 B6R1.2 OC1CCNC1 CS17407 [1,0,0,1,0,0|1,0,1]=4 255 B6R1.2 OC1CCNC1 CS21757 [1,0,0,1,0,0|1,0,1]=4 256 B6R1.2 OC1CCOC1 CS20284 [1,0,0,1,0,0|1,0,1]=4 257 B6R1.2 OC1CCOC1 MC42235 [1,0,0,1,0,0|1,0,1]=4 258 B6R1.2 OC1CCOC1 MC444279 [1,0,0,1,0,0|1,0,1]=4 259 B6R1.4 CC1COC1=O MC121237 [1,0,0,1,0,0|1,0,0]=3 260 B6R1.4 NC1CCC1O MC111877 [1,0,0,1,0,0|1,0,1]=4 261 B6R1.6 BrCC1CCC1 MC10470 [1,0,0,1,0,0|1,0,1]=4 262 B6R1.6 BrCC1CCO1 MC444177 [1,0,0,1,0,0|1,0,1]=4 263 B6R1.6 Cl[Zn]C1CCC1 MC121327 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.6 NCC1CCC1 CS11178 [1,0,0,1,0,0|1,0,1]=4 265 B6R1.6 NCC1CCN1 MC121273 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.6 NCC1CCO1 MC121118 [1,0,0,1,0,0|1,0,1]=4 267 B6R1.6 NNC1CCC1 MC111229 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.6 OCC1CCN1 CS15230 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.6 OCC1CCN1 MC102029 [1,0,0,1,0,0|2,0,0]=4 270 B6R1.6 OCC1CCN1 MC102030 [1,0,0,1,0,0|2,0,0]=4 271 B6R1.6 OCC1CCO1 CS15009 [1,0,0,1,0,0|1,0,1]=4 272 B6R1.7 NC1(CF)CC1 MC107347 [1,0,0,1,0,0|2,0,0]=4 273 B6R1.7 NC1(CO)CC1 CS13349 [1,0,0,1,0,0|2,0,0]=4 274 B6R1.7 NC1(CO)CC1 MC113084 [1,0,0,1,0,0|2,0,0]=4 275 B6R1.7 NCC1(O)CC1 CS20441 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.1 CN1CCC(CN)C1 MC104144 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.1 CN1CCC(CN)C1 MC105308 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.1 CN1CCC(CO)C1 MC102370 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.1 CN1CCC(CO)C1 MC102371 [0,1,0,1,0,0|0,0,2]=4 280 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.2 BrCC1CCCCC1 CS19887 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.2 BrCC1CCCOC1 MC102393 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.2 C#CC1CCCOC1 MC104582 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.2 C#CC1CCSCC1 MC104148 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.2 C=CC1CC=CCC1 MC115110 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.2 CCC1CNCCN1 MC31046 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.2 CCC1CNCCN1 MC31080 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.2 CCC1CNCCO1 MC444035 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.2 CCC1CNCCO1 MC444058 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.2 CCC1CNCCO1 MC444187 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.2 CCC1COCCN1 MC20812 [0,1,0,1,0,0|0,0,2]=4 302 B8R1.2 CCC1COCCN1 MC444040 [0,1,0,1,0,0|0,0,2]=4 303 B8R1.2 CCC1COCCN1 MC444061 [0,1,0,1,0,0|0,0,2]=4 304 B8R1.2 CCC1COCCN1 MC444269 [0,1,0,1,0,0|0,0,2]=4 305 B8R1.2 CNC1CCCNC1 CS22823 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.2 CNC1CCOCC1 CS15192 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.2 COC1CCNCC1 MC444354 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.2 CSC1CCNCC1 MC444359 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.2 ICC1CCOCC1 MC31010 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.2 N#CC1CCCCN1 MC105353 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.2 N#CC1CCCCN1 MC444185 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.2 N#CC1CCCNC1 MC105598 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.2 N#CC1CCCNC1 MC444266 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.2 N#CC1CCOCC1 CS12562 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,1,0,0|1,0,1]=4 320 B8R1.2 NCC1CCCOC1 CS18439 [0,1,0,1,0,0|1,0,1]=4 321 B8R1.2 NCC1CCCOC1 MC105501 [0,1,0,1,0,0|1,0,1]=4 322 B8R1.2 NCC1CCCOC1 MC105502 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.2 NCC1CCOCC1 CS18584 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,1,0,0|1,0,1]=4 325 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.2 NNC1CCCCC1 MC442574 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.2 NNC1CCCCC1 MC442575 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.2 NNC1CCOCC1 CS13041 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.2 NNC1CCOCC1 CS20368 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,1,0,0|0,0,2]=4 332 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,1,0,0|0,0,0]=2 333 B8R1.2 O=CC1CCCOC1 MC442323 [0,1,0,1,0,0|0,0,0]=2 334 B8R1.2 O=CC1CCOCC1 MC445812 [0,1,0,1,0,0|0,0,0]=2 335 B8R1.2 O=CN1CCOCC1 CS11780 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.2 OCC1CCC=CO1 MC20505 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,1,0,0|0,0,2]=4 338 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,1,0,0|0,0,2]=4 339 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,1,0,0|0,0,2]=4 340 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,1,0,0|0,0,2]=4 341 B8R1.2 OCC1CCCOC1 MC31058 [0,1,0,1,0,0|0,0,2]=4 342 B8R1.2 OCC1CCNCC1 CS22819 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.2 OCC1CCOCC1 CS18741 [0,1,0,1,0,0|0,0,2]=4 344 B8R1.8 COCC1CCCN1 CS20310 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.8 COCC1CCNC1 MC104848 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.8 COCC1CCNC1 MC105535 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.8 ICCC1CCCC1 MC106254 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.8 NCCC1CCCC1 CS15909 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.8 OCCC1CCCN1 MC103847 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.8 OCCC1CCCN1 MC106622 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.11 N#CC1CCCC1=O CS20047 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.11 N#CC1CCCC1N MC104396 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.11 O=C1NCCC1CO MC104392 [0,1,0,1,0,0|1,0,0]=3 354 B8R1.60 C#CC1(CC)COC1 MC115769 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.60 CCC1(CO)COC1 MC440257 [0,1,0,1,0,0|0,0,2]=4 356 B8R1.60 O=CC1(CBr)COC1 MC430509 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,1,0,1,0,0|0,0,0]=2 358 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,1,0,1,0,0|0,0,0]=2 359 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,1,0,1,0,0|0,0,2]=4 360 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.7 O=C([O-])C1CSCN1 MC436714 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.31 NC1CCC1C(=O)O MC104253 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.31 NC1CCC1C(=O)O MC104335 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.31 NC1CCC1C(=O)O MC104421 [0,1,0,1,0,0|1,0,0]=3 382 B8R1.31 NC1CCC1C(=O)O MC105420 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.63 N#CC1(C(=O)O)CC1 MC41838 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.63 NCC1(C(N)=O)CC1 MC443195 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.63 O=C(O)C1(CF)CC1 MC116220 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.52 NCC1(O)CCCC1 CS15390 [0,1,0,1,0,0|1,0,1]=4 387 B8R1.52 NCC1(O)CCCC1 MC31148 [0,1,0,1,0,0|1,0,1]=4 388 B8R1.52 OCC1(F)CCCC1 MC443810 [0,1,0,1,0,0|0,0,2]=4 389 B8R2.22 C1CC2CNCC12 MC103502 [0,0,0,2,0,0|1,0,1]=4 390 B8R2.22 C1CC2CNCC12 MC105043 [0,0,0,2,0,0|1,0,1]=4 391 B8R2.34 C1=CC2CCC1C2 CS11805 [0,0,0,2,0,0|1,0,0]=3 392 B8R2.34 C1CC2CCC1N2 CS10780 [0,0,0,2,0,0|2,0,0]=4 393 B8R2.34 C1CC2CCC1N2 MC113036 [0,0,0,2,0,0|2,0,0]=4 394 B8R2.55 C1CC2(CC2)CN1 MC103447 [0,0,0,2,0,0|1,0,1]=4 395 B8R2.55 C1CNC2(C1)CC2 MC103449 [0,0,0,2,0,0|2,0,0]=4