0 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 CC(C)CCC(C)N MC446673 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 CN(C)CCN(C)C MC425151 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 CN(C)CCN(C)C MC444920 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(C)CCC=O MC428026 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CN(C)\C=C\C=O MC42238 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CNCCN(C)C CS11723 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 CNCCN(C)C CS15131 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.3 CC1COC(C)CN1 MC107001 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.3 CC1COC(C)CN1 MC107002 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,0,0,1,0,0|1,0,0]=2 69 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,0,1,0,0|2,0,0]=3 72 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,1,0|1,0,2]=4 73 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,1,0|2,0,0]=3 74 B6R0.2 CC(Br)CC(N)=S MC106193 [0,0,0,0,1,0|2,1,0]=4 75 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,1,0|1,0,2]=4 76 B6R0.2 CC(C)CB(O)O CS22276 [0,0,0,0,1,0|2,0,1]=4 77 B6R0.2 CC(C)PC(C)C MC444830 [0,0,0,0,1,0|2,0,1]=4 78 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,1,0|2,0,0]=3 79 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,1,0|2,0,0]=3 80 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,1,0|2,0,0]=3 81 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,1,0|2,0,0]=3 82 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,1,0|2,0,0]=3 83 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,1,0|2,0,0]=3 84 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,1,0|2,0,0]=3 85 B6R0.2 CN(C)CC(N)=S CS15155 [0,0,0,0,1,0|2,1,0]=4 86 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,1,0|3,0,0]=4 87 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,1,0|3,0,0]=4 88 B8R0.28 CC(C)CCCC(C)N MC446672 [0,0,0,0,0,1|2,0,1]=4 89 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,1|3,0,0]=4 90 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,0,0,0,0,1|3,0,0]=4 91 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,0,0,0,0,1|3,0,0]=4 92 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,0,0,0,0,1|3,0,0]=4 93 B5R0.1 C=C(C)CCBr CS14513 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.1 CC(C)CC=O CS11530 [2,0,0,0,0,0|0,0,0]=2 95 B5R0.1 CC(O)CON CS17735 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|0,0,0]=2 97 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 CCOC(=N)N CS11818 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 CN(C)CC=O CS17734 [2,0,0,0,0,0|1,0,0]=3 100 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.1 COCC(C)N CS15401 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.1 COCC(C)O CS20249 [2,0,0,0,0,0|1,0,0]=3 106 B5R0.1 COCC(C)O CS20309 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.1 COCC(C)O CS20741 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,1,0,0,0,0|0,0,1]=3 118 B7R0.3 C=CCOC(=O)CCl MC428296 [1,1,0,0,0,0|0,0,2]=4 119 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.4 CC#CCOC(C)=O MC434061 [1,1,0,0,0,0|0,0,1]=3 122 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|1,0,0]=3 123 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|1,0,0]=3 124 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.5 CCCC(N)C(=O)O CS10518 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.5 CCCC(N)C(=O)O CS17028 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.5 CCCC(N)C(=O)O MC439125 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.5 CCCC(N)C(N)=O MC438024 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.5 CCOC(=O)C(C)C CS11388 [1,1,0,0,0,0|0,0,2]=4 132 B7R0.9 CC(=O)CC(F)(F)F MC418477 [0,1,0,0,1,0|2,0,0]=4 133 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,1,0,0,1,0|1,0,0]=3 134 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,1,0,0,1,0|1,0,0]=3 135 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,1,0,0,1,0|1,0,0]=3 136 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,1,0,0,1,0|1,0,0]=3 137 B7R0.9 CC(C)CS(=O)(=O)Cl MC33117 [0,1,0,0,1,0|2,0,0]=4 138 B7R0.9 CC(C)OS(C)(=O)=O MC445527 [0,1,0,0,1,0|1,0,0]=3 139 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,1,0,0,1,0|0,0,2]=4 140 B7R0.9 CN(C)CC(C)(C)O MC41894 [0,1,0,0,1,0|2,0,0]=4 141 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,1,0,0,1,0|2,0,0]=4 142 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,1,0,0,1,0|2,0,0]=4 143 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,0,0,1,0|1,0,1]=4 144 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,1,0,0,1,0|1,0,0]=3 145 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,1,0,0,1,0|1,0,0]=3 146 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,1,0,0,1,0|1,0,0]=3 147 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,1,0,0,1,0|1,0,0]=3 148 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,1,0,0,1,0|1,0,0]=3 149 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,1,0,0,1,0|1,0,0]=3 150 B7R0.16 CC(C)C(N)C(C)C CS17730 [0,1,0,0,1,0|1,0,1]=4 151 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,1,0,0,1,0|1,0,0]=3 152 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,1,0,0,1,0|1,0,0]=3 153 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,1,0,0,1,0|1,0,0]=3 154 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,1,0,0,1,0|1,0,0]=3 155 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,1,0,0,1,0|1,0,0]=3 156 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,1,0|2,0,0]=4 157 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,1,0|2,0,0]=4 158 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,1,0|2,0,0]=4 159 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,1,0|2,0,0]=4 160 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,1,0|2,0,0]=4 161 B7R0.16 CC(O)C(N)C(N)=O MC438202 [0,1,0,0,1,0|2,0,0]=4 162 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,1,0,0,0,1|2,0,0]=4 163 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,1,0,0,0,1|2,0,0]=4 164 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,1,0,0,0,1|2,0,0]=4 165 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,1,0,0,0,1|2,0,0]=4 166 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,1,0,0,0,1|2,0,0]=4 167 B9R0.21 COC(=O)CCC(C)(C)N MC112459 [0,2,0,0,0,0|1,0,0]=3 168 B9R0.23 CC(C)CC(N)C(=O)CCl MC437823 [0,2,0,0,0,0|1,0,0]=3 169 B9R0.23 CCC(=O)C(C)CN(C)C CS12103 [0,2,0,0,0,0|2,0,0]=4 170 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,2,0,0,0,0|2,0,0]=4 171 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,2,0,0,0,0|1,0,0]=3 172 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,2,0,0,0,0|1,0,0]=3 173 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,2,0,0,0,0|1,0,0]=3 174 B9R0.42 CCC(=O)OC(Cl)C(C)C CS20670 [0,2,0,0,0,0|0,0,0]=2 175 B9R0.42 COC(=O)CC(=O)C(C)C CS11675 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.43 CC(=O)SCC(CN)CN MC112757 [0,2,0,0,0,0|0,1,0]=3 177 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|2,0,0]=4 178 B9R0.10 CC(C)(C)C(N)CC(=O)O CS20286 [0,2,0,0,0,0|2,0,0]=4 179 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437916 [0,2,0,0,0,0|2,0,0]=4 180 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437918 [0,2,0,0,0,0|2,0,0]=4 181 B9R0.11 CC(C)CC(C)(N)C(=O)O MC437919 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.39 CNC(CC(C)C)C(=O)O MC435478 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.39 CNC(CC(C)C)C(=O)O MC437917 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.39 CNC(CC(C)C)C(=O)O MC437920 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.57 CC(C)(C)CC(N)C(=O)O MC100406 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436788 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436789 [0,2,0,0,0,0|2,0,0]=4 188 B9R0.79 CC(C)C(O)C(N)C(=O)O MC116178 [0,2,0,0,0,0|2,0,0]=4 189 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,1,0,0|1,0,0]=3 190 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|1,0,0]=3 191 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 192 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|1,0,0]=3 196 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,1,0,0|1,0,1]=4 201 B7R1.3 CC1COCCN1 CS14856 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.3 CC1COCCN1 CS20285 [1,0,0,1,0,0|1,0,1]=4 203 B7R1.3 CC1COCCN1 CS22371 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.3 CC1COCCN1 CS22413 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.3 CC1COCCN1 MC20820 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.3 CN1CC=CCC1 CS20742 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,0]=2 210 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.3 OC1CCCOC1 CS17782 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.5 CC1CC1N=C=O MC121381 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.10 NCC1CC(=O)C1 MC444212 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.10 NCC1CC(=O)N1 MC111758 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.10 O=C1CC(CI)N1 MC111759 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.10 O=C1CC(CO)C1 MC113039 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.16 CC1(C)CC(Br)C1 MC115986 [0,0,0,1,1,0|1,0,1]=4 232 B7R1.16 O=C1CC(F)(F)C1 MC102143 [0,0,0,1,1,0|2,0,0]=4 233 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,0,0,1,0,1|1,0,0]=3 234 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,0,0,1,0,1|2,0,0]=4 235 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,0,0,1,0,1|2,0,0]=4 236 B9R1.53 CC(=O)NC1CC(N)C1 MC104659 [0,0,0,1,0,1|2,0,0]=4 237 B9R1.53 CC(=O)OC1CC(=O)N1 CS18165 [0,0,0,1,0,1|1,0,1]=4 238 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,0,0,1,0,1|1,0,0]=3 239 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,0,0,1,0,1|1,0,0]=3 240 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.1 N#CC1CCC(=O)CC1 CS13355 [0,1,0,1,0,0|1,0,1]=4 243 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.10 C=C1CCC(C)(C)CC1 MC105700 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.10 CC1(C)OCC(=O)CO1 MC425473 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.10 O=C1CCC(F)(F)CC1 MC10539 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.10 O=C1CCC(F)(F)CN1 MC105162 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.82 COC(=O)C1CC(Br)C1 MC103784 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.82 COC(=O)C1CC(Br)C1 MC103785 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.82 COC(=O)C1CC(Cl)C1 MC444530 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.82 COC(=O)C1CC(N)C1 CS15952 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.82 COC(=O)C1CC(N)C1 MC103928 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.82 COC(=O)C1CC(N)C1 MC103997 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.82 COC(=O)C1CC(N)C1 MC444564 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.82 COC(=O)C1CC(O)C1 MC444276 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.82 COC(=O)C1CC(O)C1 MC444557 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.82 COC(=O)C1CC(O)C1 MC444565 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.95 CC(=O)N1CC(CO)C1 MC111767 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.95 COC1CC(C(=O)O)C1 MC102156 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.95 COC1CC(C(=O)O)C1 MC103811 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.95 NCC1CC(C(=O)O)C1 MC105165 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.95 O=C(O)C1CC(CO)C1 MC103733 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.38 CC1(C)CC(=O)OC1=O CS19863 [0,1,0,1,0,0|0,0,1]=3 273 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.164 CC1(C)C=C(C(=O)O)C1 MC101960 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.164 CC1(C)CC(C(=O)O)C1 MC444205 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.164 CC1(F)CC(C(=O)O)C1 MC111625 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.164 CC1(F)CC(C(=O)O)C1 MC116400 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.164 CC1(O)CC(C(=O)O)C1 CS16009 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.164 CC1(O)CC(C(=O)O)C1 MC103746 [0,1,0,1,0,0|2,0,0]=4 280 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,0,0,2,0,0|2,0,0]=4 281 B5R0.5 CC(Br)C(=O)O MC20444 [0,0,0,0,2,0|2,0,0]=4 282 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,0,0,2,0|1,0,0]=3 283 B5R0.5 CC(C)C(N)=O CS21696 [0,0,0,0,2,0|1,0,0]=3 284 B5R0.5 CC(Cl)C(=O)O MC20315 [0,0,0,0,2,0|2,0,0]=4 285 B5R0.5 CC(Cl)C(=O)O MC436860 [0,0,0,0,2,0|2,0,0]=4 286 B5R0.5 CC(F)C(=O)O MC429445 [0,0,0,0,2,0|2,0,0]=4 287 B5R0.5 CC(N)C(=O)O CS18992 [0,0,0,0,2,0|2,0,0]=4 288 B5R0.5 CC(N)C(=O)O CS19143 [0,0,0,0,2,0|2,0,0]=4 289 B5R0.5 CC(N)C(=O)O MC428047 [0,0,0,0,2,0|2,0,0]=4 290 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,2,0|2,0,0]=4 291 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,2,0|2,0,0]=4 292 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,2,0|2,0,0]=4 293 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,2,0|2,0,0]=4 294 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,2,0|2,0,0]=4 295 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,0,0,2,0|2,0,0]=4