0 B7R0.4 C#CCCCC(=O)O CS14686 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC#CCOC(C)=O MC434061 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.4 CC(=O)CCCCBr CS10627 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.4 CC(O)CCCCO MC112436 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 CCCCCB(O)O CS22305 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CCCCCC(C)O CS21570 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 CCCOCC(=O)O MC425744 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 CN(C)CCCCO CS22813 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.4 COCCCC(C)N MC112163 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 NCCCCC(=O)O MC428108 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.4 NCCNCC(=O)O MC436179 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.4 O=C(O)CCCCBr MC41866 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 C#CCCC(=O)Cl MC106035 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 C#CCCC(=O)O MC428029 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 C#CCCC(N)=O MC106194 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.4 CN(C)CCCBr CS22184 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 CN(C)CCCCl CS13505 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CN(C)CCCCl CS14943 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CNCCN(C)C CS11723 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 CNCCN(C)C CS15131 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 N#CCCC(=O)O CS22262 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.6 C=CCCCCCl MC427568 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 C=CCCCCN MC111853 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 C=CCCCCO CS10397 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 C=COCCCN MC41859 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.6 C=COCCON MC106384 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 COCCCC=O MC111975 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.6 COCCCCBr CS22933 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 COCCCCCl MC428014 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.6 CCCCCC(O)CCl MC114490 [0,1,0,0,0,0|1,0,2]=4 46 B8R0.6 CCCCNC(=O)CCl CS11766 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.6 CCCSCC(=O)OC MC434048 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.7 CCNCCCN(C)C MC103675 [0,1,0,0,0,0|3,0,0]=4 49 B8R0.7 COCCOCC(=O)O MC10458 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.7 CSCCCCC(=O)O MC112374 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.7 N=C(N)NCCCCN MC436135 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.7 NCCCCCC(=O)O CS13381 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.7 O=C(O)CCCCCBr CS18405 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,1,0,0,0,0|3,0,0]=4 64 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.21 CCCCCS(=O)(=O)[O-] MC445019 [0,1,0,0,0,0|3,0,0]=4 70 B8R0.21 CCCCCS(=O)(=O)[O-] MC445025 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.21 CS(=O)(=O)CCCCN MC116558 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.21 NCCCOP(=O)([O-])[O-] MC20565 [0,1,0,0,0,0|3,0,0]=4 73 B8R0.28 CC(C)CCCC(C)N MC446672 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.1 NCC1COC(=O)N1 MC104254 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,0,0,1,0,0|1,0,0]=2 81 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.4 CC1CC(O)CCO1 MC31218 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.4 CC1CCNC(C)C1 CS21125 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,0,0,1,0,0|1,0,0]=2 99 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,0,0,1,0,0|1,0,0]=2 105 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.31 NC1CCC1C(=O)O MC104253 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.31 NC1CCC1C(=O)O MC104335 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.31 NC1CCC1C(=O)O MC104421 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.31 NC1CCC1C(=O)O MC105420 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,0,0,1,0,0|1,1,0]=3 130 B8R1.34 CC(C)OC1CNC1 MC10552 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.34 CC(C)OC1CNC1 MC10553 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.34 O=C(O)CC1COC1 MC444158 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.72 CC1(C)CNCCO1 MC100077 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,0,0,1,0,0|3,0,0]=4 139 B5R0.1 C=C(C)CCBr CS14513 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|0,0,0]=2 141 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.1 CCOC(=N)N CS11818 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,1]=4 154 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|1,0,1]=4 157 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.2 CNCCNC CS15116 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|1,0,0]=3 160 B5R0.2 COCCC#N CS22345 [2,0,0,0,0,0|1,0,1]=4 161 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|1,0,0]=3 162 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|1,0,0]=3 163 B5R0.2 COCCNN MC103229 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.2 COCCNN MC107041 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|0,0,1]=3 168 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,1,0,0,0,0|0,0,1]=3 169 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.2 NCC(O)CC(=O)O CS16710 [1,1,0,0,0,0|2,0,0]=4 171 B7R0.3 C#CCCC(=O)OC MC424002 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.3 C=CCOC(=O)CCl MC428296 [1,1,0,0,0,0|0,0,2]=4 173 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.3 COCCC(=O)NN MC111753 [1,1,0,0,0,0|2,0,0]=4 177 B7R0.5 CCCC(N)C(=O)O CS10518 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.5 CCCC(N)C(=O)O CS17028 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.5 CCCC(N)C(=O)O MC439125 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.5 CCCC(N)C(N)=O MC438024 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.5 COCC(N)C(=O)O CS12183 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.5 COCC(N)C(=O)O CS16755 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.5 COCC(N)C(=O)O CS20335 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.5 CSCC(N)C(=O)O MC439293 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.5 NC(CCO)C(=O)O CS13886 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.5 NC(CCO)C(=O)O CS16701 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.5 NC(CCO)C(=O)O CS22620 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.5 NCCC(N)C(=O)O CS13874 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.5 NCCC(N)C(=O)O CS15080 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.5 NCCC(N)C(=O)O MC436921 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.5 NCCC(N)C(=O)O MC439091 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.5 NCCC(N)C(=O)O MC439321 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.5 NCCC(O)C(=O)O CS15496 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.5 NCCC(O)C(=O)O CS21759 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,1,0,0,0,0|1,0,0]=3 200 B7R0.6 CC(C)CCC(C)N MC446673 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.6 CC(N)CCC(=O)O MC435302 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.6 CN(C)CCC(=O)O CS12169 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.8 CCCCS(=O)(=O)F MC32077 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.8 CCCCS(=O)(=O)O MC32078 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.8 CCCCS(N)(=O)=O MC32080 [1,1,0,0,0,0|2,0,0]=4 209 B7R0.1 C=CCCCCCBr CS19607 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.1 COCCOCCN MC431493 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.1 COCOCCC=O MC445436 [1,1,0,0,0,0|2,0,0]=4 212 B9R0.4 C[Se]CCC(N)CC(=O)O MC435596 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.4 C[Se]CCC(N)CC(=O)O MC435597 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,2,0,0,0,0|2,0,0]=4 215 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,2,0,0,0,0|2,0,0]=4 216 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,2,0,0,0,0|2,0,0]=4 217 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.5 CCOC(=O)CCCCN CS14354 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,2,0,0,0,0|1,0,0]=3 221 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,2,0,0,0,0|1,0,0]=3 222 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.46 COC(=O)CCCCCN CS11662 [0,2,0,0,0,0|1,0,0]=3 227 B9R0.47 C=C(C)C(=O)NCCCN CS11712 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,2,0,0,0,0|0,0,0]=2 229 B9R0.47 NCCCCC(N)C(=O)O CS18635 [0,2,0,0,0,0|2,0,0]=4 230 B9R0.47 NCCCCC(N)C(=O)O CS18638 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.47 NCCCCC(N)C(=O)O CS19147 [0,2,0,0,0,0|2,0,0]=4 232 B9R0.47 NCCCCC(N)C(=O)O CS19277 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.47 NCCCCC(N)C(=O)O MC20432 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.47 NCCCCC(N)C(=O)O MC435005 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.47 NCCCCC(N)C(=O)O MC439006 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.47 NCCCCC(N)C(N)=O MC437847 [0,2,0,0,0,0|2,0,0]=4 237 B9R0.47 NCCCCC(N)C(N)=O MC437848 [0,2,0,0,0,0|2,0,0]=4 238 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,2,0,0,0,0|1,0,0]=3 240 B9R0.2 CCCSCCCC(=O)O MC112372 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.2 NCCCCCCC(=O)O CS10138 [0,2,0,0,0,0|2,0,0]=4 242 B9R0.2 O=C(O)CCCCCCO CS10820 [0,2,0,0,0,0|2,0,0]=4 243 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|2,0,0]=4 244 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.13 CCCCC(NC)C(=O)O MC435132 [0,2,0,0,0,0|2,0,0]=4 249 B9R0.13 CCCCC(NC)C(=O)O MC435489 [0,2,0,0,0,0|2,0,0]=4 250 B9R0.43 CC(=O)SCC(CN)CN MC112757 [0,2,0,0,0,0|1,1,0]=4 251 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|0,0,2]=4 252 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.2 CC1CCC(C)N1 MC102818 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|1,0,0]=3 255 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,0]=3 257 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|1,0,0]=3 259 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|1,0,0]=3 260 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.3 CC1CCCCN1 MC20418 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|0,0,2]=4 266 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,0]=2 268 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|1,0,0]=3 272 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|1,0,0]=3 273 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|1,0,0]=3 274 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,0]=3 276 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.10 NCC1CC(=O)C1 MC444212 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.10 NCC1CC(=O)N1 MC111758 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.10 O=C1CC(CI)N1 MC111759 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.10 O=C1CC(CO)C1 MC113039 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|1,0,0]=3 283 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|1,0,0]=3 285 B7R1.12 NC(=O)C1CC1F MC102846 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.12 O=C(O)C1CC1Br MC430635 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.12 O=C(O)C1CC1F MC21162 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.12 O=C(O)C1CC1F MC425300 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.12 O=C(O)C1CC1F MC425301 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.12 O=C(O)C1CC1F MC425302 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.12 O=C(O)C1CC1F MC425316 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.12 O=C(O)C1CC1I MC102749 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.12 O=C(O)C1CC1I MC425298 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.14 CC1(O)CCCC1 CS20768 [1,0,0,1,0,0|0,0,2]=4 295 B7R1.18 CC(O)C1CCC1 CS20672 [1,0,0,1,0,0|0,0,2]=4 296 B7R1.18 NC(=O)C1CNC1 MC10515 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.18 NC(=O)C1CNC1 MC10516 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.20 N=C(N)CC1CC1 MC114877 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|1,0,0]=3 309 B7R1.1 CNC1CCOC1 MC104966 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.1 CNC1CCOC1 MC105597 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.1 NCC1CCOC1 MC102307 [1,0,0,1,0,0|1,0,1]=4 312 B7R1.1 NCC1CCOC1 MC103862 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.1 NCC1CCOC1 MC115675 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.1 NCC1CCOC1 MC121256 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.1 O=CC1CCCC1 MC21048 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.1 OCC1CC=CC1 CS20734 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.1 OCC1CCOC1 MC113000 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.1 OCC1CCOC1 MC113001 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.1 OCC1CCOC1 MC427704 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.4 NC1CCNC1=O MC107169 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.4 NC1CCNC1=O MC115917 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,1,0,0|1,0,0]=3 327 B7R1.4 NC1CCSC1=O MC428331 [1,0,0,1,0,0|1,1,0]=4 328 B7R1.4 NN1CCOC1=O MC102926 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|1,0,1]=4 337 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,1,0,1,0,0|0,0,0]=2 338 B9R1.13 O=C(Cl)OC1CCCC1 CS11187 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.13 O=C(O)CC1CCCC1 MC112805 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.13 O=C(O)CC1CCCN1 MC106679 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.13 O=C(O)CC1CCNC1 MC104574 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.13 O=C(O)CC1CCNC1 MC105475 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.13 O=C(O)CC1CCOC1 CS20367 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.41 CN1CCCC1C(=O)O CS11794 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.41 CN1CCCC1C(=O)O MC437939 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.53 CC(=O)NC1CC(N)C1 MC104659 [0,1,0,1,0,0|1,0,0]=3 351 B9R1.53 CC(=O)OC1CC(=O)N1 CS18165 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.53 NC1CC(CC(=O)O)C1 MC103479 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.53 NC1CC(CC(=O)O)C1 MC103480 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.53 NC1CC(CC(=O)O)C1 MC103481 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.66 CC1(C)CC(N)CCO1 MC115908 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,1,0,1,0,0|1,0,0]=3 358 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,1,0,0|1,0,0]=3 362 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,1,0,0|1,0,0]=3 363 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,1,0,0|1,0,0]=3 369 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.11 COC(=O)C1CCNC1 MC103933 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.79 COC(=O)CC1CNC1 MC113002 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.79 COC(=O)CC1CNC1 MC444523 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.81 COC(=O)C1CCC1N MC103768 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.132 CN1C(=O)CCC1CO MC102373 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [0,1,0,1,0,0|1,0,1]=4 383 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,1,0,1,0,0|1,0,0]=3 384 B9R1.6 CC(=O)N1CCNCC1 CS18512 [0,1,0,1,0,0|1,0,0]=3 385 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.6 NC(=O)C1CCCNC1 CS18298 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.6 NC(=O)C1CCCNC1 MC103934 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.6 NC(=O)C1CCCNC1 MC105293 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.6 NC(=O)C1CCNCC1 CS22309 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.6 O=C(O)C1CNCCO1 CS21703 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.6 O=C(O)C1CNCCO1 MC444042 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.6 O=C(O)C1CNCCO1 MC444064 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.84 O=C(O)COC1CCC1 MC33255 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,1,0,1,0,0|1,0,0]=3 408 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.95 CC(=O)N1CC(CO)C1 MC111767 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.110 NC(C(=O)O)C1CCC1 MC444160 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.110 NC(C(=O)O)C1CCC1 MC444508 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.163 NC(=O)C1(N)CCCC1 CS18509 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.163 NC1(C(=O)O)CCCC1 CS18420 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.163 O=C(O)C1(F)CCCC1 MC443736 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.163 O=C(O)C1(O)CCCC1 CS20733 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.114 CS(=O)(=O)OC1COC1 MC425337 [0,1,0,1,0,0|2,0,0]=4 422 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|1,0,0]=3 423 B9R2.138 O=C1CC2(CCC2)C1 MC103861 [0,0,0,2,0,0|1,0,0]=3 424 B9R2.138 O=C1CC2(COC2)C1 MC102066 [0,0,0,2,0,0|2,0,0]=4 425 B9R2.138 O=C1CC2(CSC2)C1 MC444201 [0,0,0,2,0,0|2,0,0]=4