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m_240690__17028040__3025698 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.1 CC(=CCNC(=O)CO)C m_22__9277640__7941800 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.1 CC(=CCNC(C)CCl)C m_2230__22399894__681184 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.1 CC(=CCNC(C)CO)C m_269862__9277692__15157990 [1,0,0,0,0,0|1,0,1]=3 56 B9R0.1 CC(=CCN[C@H](C)CF)C m_2230__22399906__681184 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.1 CC(=CCN[C@H](C)CN)C m_269982__22505378__22499720 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.1 CC(=CCN[C@H](C)CO)C m_2230__22399532__681184 [1,0,0,0,0,0|1,0,1]=3 59 B9R0.1 CC(=CCN[C@H](C)CO)Cl m_2230__22399532__12215360 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.1 CC(=CCSC(C)CO)C m_7__6338928__10267514 [1,0,0,0,0,0|1,0,1]=3 61 B9R0.1 CC(=CCSC(C)CO)Cl m_7__6338928__12215356 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.1 CC(=CCS[C@@H](C)CN)C m_7__20871330__10267514 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.1 CC(=NO)CCCC(C)C m_4__388124__7207788 [1,0,0,0,0,0|1,0,2]=4 64 B9R0.1 CC(=O)NCCC(C)CO m_270062__24471890__15585492 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.1 CC(CO)CCNC(C)C m_269862__24471902__7204804 [1,0,0,0,0,0|1,0,2]=4 66 B9R0.1 CC=C(C)CNCC(C)C m_270004__8288546__16464078 [1,0,0,0,0,0|1,0,2]=4 67 B9R0.1 CC=C(C)CSCC(C)C m_7__27301__15113410 [1,0,0,0,0,0|1,0,2]=4 68 B9R0.1 CCC(=O)NCC=C(C)C m_270062__16413502__22005658 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.1 CCC(=O)OCC=C(C)C m_276436__14079874__14101862 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.1 CCC(C)NCC=C(C)C m_269862__9277692__7200134 [1,0,0,0,0,0|1,0,2]=4 71 B9R0.1 CNC(=NCC=C(C)C)N m_264822__9277690__3499590 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.1 CNC(=O)CCC=C(C)C m_22__387492__14052492 [1,0,0,0,0,0|2,0,0]=3 73 B9R0.1 CNC(=O)NCC=C(C)C m_2554__9277674__788506 [1,0,0,0,0,0|3,0,0]=4 74 B9R0.1 CNC(=S)NCC=C(C)C m_8__9277634__83693 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.1 CNC(C)CCC=C(C)C m_269862__7193148__7200712 [1,0,0,0,0,0|1,0,1]=3 76 B9R0.1 COC(=O)CCC=C(C)C m_276436__14076652__14110446 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.1 COC(=O)NCC=C(C)C m_282070__22215862__22151046 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.1 CON(C)CCC=C(C)C m_2230__679026__12121626 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[1,0,0,0,0,0|1,0,1]=3 93 B9R0.5 C=CCSCC(=CCO)C m_7__22987946__20765532 [1,0,0,0,0,0|1,0,2]=4 94 B9R0.5 CC=CCCC(=O)NCC m_22__57815__16726278 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.5 CC=CCCC(=O)OCC m_1458__16726282__1327610 [1,0,0,0,0,0|3,0,0]=4 96 B9R0.5 CC=CCNC(=O)CCO m_487__14317870__12879784 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.5 CC=CCNC(C)CCO m_2230__22400640__681024 [1,0,0,0,0,0|1,0,2]=4 98 B9R0.5 CCCSCC(=CCO)C m_7__22986886__20765532 [1,0,0,0,0,0|1,0,2]=4 99 B11R0.1 C=C(C)CN(C)CC(=CCO)C m_2230__12158106__20765536 [0,1,0,0,0,0|1,0,2]=4 100 B11R0.1 CC(=CC(C)NC(C)CCO)C m_269862__7198430__14924846 [0,1,0,0,0,0|1,0,2]=4 101 B11R0.1 CC(=CCO)CN(C)CC(C)C m_2230__2206024__20765536 [0,1,0,0,0,0|1,0,2]=4 102 B11R0.6 CC(=CCCC(=O)NC(C)C)C m_1626__513594__22120310 [0,1,0,0,0,0|3,0,0]=4 103 B11R0.6 CC(=CCCC(=O)OC(C)C)C m_276436__14076930__14110446 [0,1,0,0,0,0|3,0,0]=4 104 B11R0.6 CC(=CCCC(C)NC(C)C)C m_2230__22399376__680832 [0,1,0,0,0,0|2,0,1]=4 105 B11R0.6 CC(=CCCN(C)CC(C)C)C m_2230__2206024__12121626 [0,1,0,0,0,0|2,0,1]=4 106 B11R0.6 CC(=CCCN(C)CC(C)O)C m_2230__5729954__12121626 [0,1,0,0,0,0|1,0,1]=3 107 B11R0.6 CC(=CCCN(C)CC(F)Cl)C m_2230__21676360__12121626 [0,1,0,0,0,0|2,0,1]=4 108 B11R0.6 CC(=CCCN(C)C[C@H](C)N)C m_269982__22504918__12124166 [0,1,0,0,0,0|2,0,1]=4 109 B11R0.6 CC(=CCNC(=O)CC(C)O)C m_487__9277654__23862482 [0,1,0,0,0,0|2,0,1]=4 110 B11R0.6 CC(=CCNC(C)CC(C)O)C m_2230__22399846__681184 [0,1,0,0,0,0|1,0,2]=4 111 B11R0.6 CC(=CCOC(=O)C[C@@H](C)O)C m_1458__21596576__10267524 [0,1,0,0,0,0|2,0,1]=4 112 B11R0.45 CC(=CCNC(CO)CCO)C m_2230__22404146__681184 [0,1,0,0,0,0|1,0,2]=4 113 B11R0.45 CCC(CCO)SCC=C(C)C m_7__22987708__10267514 [0,1,0,0,0,0|1,0,2]=4 114 B11R0.45 CCCN(CC)CCC=C(C)C m_2230__2234344__12121626 [0,1,0,0,0,0|2,0,1]=4 115 B11R0.45 CCN(CCF)CCC=C(C)C m_2230__17607486__12121626 [0,1,0,0,0,0|2,0,1]=4 116 B11R0.45 CCN(CCO)CCC=C(C)C m_2230__3225026__12121626 [0,1,0,0,0,0|1,0,1]=3 117 B11R0.45 CC[C@@H](CCO)NCC=C(C)C m_2230__22403216__681184 [0,1,0,0,0,0|1,0,2]=4 118 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CC(=C(F)CNC(C)CCO)C m_2230__22400640__17837754 [0,1,0,0,0,0|1,0,2]=4 131 B11R0.141 CC(=C(F)CSC(C)CCO)C m_7__5819074__17837742 [0,1,0,0,0,0|1,0,2]=4 132 B11R0.141 CC(=CCO)CN[C@@H](C)C(C)C m_2230__22399838__20765536 [0,1,0,0,0,0|1,0,2]=4 133 B11R0.141 CC(=CCO)COC(=O)C(C)Br m_1458__23414716__20765534 [0,1,0,0,0,0|2,0,1]=4 134 B11R0.141 CC(=CCO)COC(=O)C(C)C m_1458__473302__20765534 [0,1,0,0,0,0|1,0,1]=3 135 B11R0.141 CC(=CCO)CSC(C)C(C)C m_7__6286942__20765532 [0,1,0,0,0,0|1,0,2]=4 136 B11R0.141 CC(=O)C(C)SCC(=CCO)C m_7__6506312__20765532 [0,1,0,0,0,0|2,0,1]=4 137 B11R0.141 CC(C)C(=O)CCN(C)CCO m_2230__679202__10269724 [0,1,0,0,0,0|1,0,2]=4 138 B11R0.141 CC(CCO)CCC(=O)N(C)C m_22__387202__24596112 [0,1,0,0,0,0|1,0,2]=4 139 B11R0.141 CC/C=C(\C)/CNC(=O)C(C)C m_22__24029806__337030 [0,1,0,0,0,0|2,0,1]=4 140 B11R0.141 CC/C=C(\C)/CNC(=O)N(C)C m_68__23314888__22160914 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.141 CCCN(C)CCC(=C(C)C)C m_2230__2261920__22379594 [0,1,0,0,0,0|2,0,1]=4 142 B11R0.141 CN(CCO)CCC(=O)N(C)C m_2230__679202__804610 [0,1,0,0,0,0|2,0,1]=4 143 B11R0.145 C=C(CC)C(=O)NCC=C(C)C m_273270__13679090__21397238 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.145 C=C(CO)C(=O)NCC=C(C)C m_22__9277640__9436058 [0,1,0,0,0,0|2,0,0]=3 145 B11R0.145 CC(=CCCN(C)C(C)CF)C m_2230__22408738__12121626 [0,1,0,0,0,0|2,0,1]=4 146 B11R0.145 CC(=CCCN(C)C(C)CO)C m_2230__7785428__12121626 [0,1,0,0,0,0|1,0,1]=3 147 B11R0.145 CC(=CCNC(=O)C(C)CO)C m_22__9277640__16784146 [0,1,0,0,0,0|2,0,1]=4 148 B11R0.145 CC(=CCNC(=O)C(N)CO)C m_240690__17028040__12887534 [0,1,0,0,0,0|2,0,1]=4 149 B11R0.145 CC(=CCNC(=O)[C@H](N)CO)C m_240690__17028040__12297580 [0,1,0,0,0,0|2,0,1]=4 150 B11R0.145 CC(=CCNC(C)C(C)CO)C m_2230__8740410__681184 [0,1,0,0,0,0|1,0,2]=4 151 B11R0.145 CC(=CCN[C@@H](C)[C@H](N)CO)C m_269982__22505312__22499720 [0,1,0,0,0,0|1,0,2]=4 152 B11R0.145 CC(=CCSC(C)C(C)CO)C m_7__22987758__10267514 [0,1,0,0,0,0|1,0,2]=4 153 B11R0.145 CC(=O)NCCN(C)C(=O)CO m_22__11572088__7941800 [0,1,0,0,0,0|3,0,0]=4 154 B11R0.145 CC(=O)OCCN(C)C(=O)CO m_22__15345398__7941800 [0,1,0,0,0,0|3,0,0]=4 155 B11R0.145 CC(C)CCCN(C)C(=O)CO m_22__13824052__7941800 [0,1,0,0,0,0|1,0,2]=4 156 B11R0.145 CC(C)OCCN(C)C(=O)CO m_22__16925322__7941800 [0,1,0,0,0,0|2,0,1]=4 157 B11R0.145 CCC(C)N(C)CCC=C(C)C m_2230__7462418__12121626 [0,1,0,0,0,0|2,0,1]=4 158 B11R0.145 CCN(C)C(=O)CCC=C(C)C m_1626__22018992__22120310 [0,1,0,0,0,0|3,0,0]=4 159 B11R0.145 CN(C)CCCN(C)C(=O)CO m_22__8282302__7941800 [0,1,0,0,0,0|2,0,1]=4 160 B11R0.145 CN(CCC=C(Cl)Cl)C(=O)CO m_22__24035212__7941800 [0,1,0,0,0,0|3,0,0]=4 161 B11R0.147 C#CCCN(C)CCC=C(C)C m_2230__15161984__12121626 [0,1,0,0,0,0|2,0,1]=4 162 B11R0.147 C#CCNC(=O)CCC=C(C)C m_527__154469__14052494 [0,1,0,0,0,0|3,0,0]=4 163 B11R0.147 C#CCOC(=O)CCC=C(C)C m_276436__14076544__14110446 [0,1,0,0,0,0|3,0,0]=4 164 B11R0.147 C=CCNC(=O)CCC=C(C)C m_527__154357__14052494 [0,1,0,0,0,0|3,0,0]=4 165 B11R0.147 C=CCNC(C)CCC=C(C)C m_2230__22399376__680312 [0,1,0,0,0,0|2,0,1]=4 166 B11R0.147 C=CCOC(=O)CCC=C(C)C m_1458__14052496__489874 [0,1,0,0,0,0|3,0,0]=4 167 B11R0.147 CC(=CCCC(=CC=NO)C)C m_4__388124__66859 [0,1,0,0,0,0|0,0,1]=2 168 B11R0.147 CC(=CCCC(=O)NCCF)C m_1626__22055678__22120310 [0,1,0,0,0,0|2,0,1]=4 169 B11R0.147 CC(=CCCC(=O)NCCN)C m_240690__3025612__14052514 [0,1,0,0,0,0|2,0,1]=4 170 B11R0.147 CC(=CCCC(=O)NCCO)C m_527__154483__14052494 [0,1,0,0,0,0|1,0,1]=3 171 B11R0.147 CC(=CCCC(=O)OCC#N)C m_1458__14052496__483934 [0,1,0,0,0,0|3,0,0]=4 172 B11R0.147 CC(=CCCC(=O)OCCF)C m_276436__14078274__14110446 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.147 CC(=CCCC(=O)OCCO)C m_1458__14052496__485506 [0,1,0,0,0,0|1,0,1]=3 174 B11R0.147 CC(=CCCC(C)CC=NO)C m_4__388124__67628 [0,1,0,0,0,0|1,0,1]=3 175 B11R0.147 CC(=CCCC(C)NCC#N)C m_2230__22399376__680932 [0,1,0,0,0,0|2,0,1]=4 176 B11R0.147 CC(=CCCC(C)NCCF)C m_2230__22399376__22320836 [0,1,0,0,0,0|1,0,2]=4 177 B11R0.147 CC(=CCCC(C)NCCN)C m_272690__11349186__11346450 [0,1,0,0,0,0|1,0,2]=4 178 B11R0.147 CC(=CCCC(C)NCCO)C m_2230__22399376__6165700 [0,1,0,0,0,0|0,0,2]=3 179 B11R0.147 CC(=CCCN(C)CCC#N)C m_2230__6737726__12121626 [0,1,0,0,0,0|2,0,1]=4 180 B11R0.147 CC(=CCCN(C)CCCF)C m_2230__13040470__12121626 [0,1,0,0,0,0|2,0,1]=4 181 B11R0.147 CC(=CCCN(C)CCCN)C m_269982__11965286__12124166 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.147 CC(=CCCN(C)CCCO)C m_2230__9787816__12121626 [0,1,0,0,0,0|1,0,1]=3 183 B11R0.147 CC(=CCNC(=O)/C=C/CF)C m_11__9277636__22137828 [0,1,0,0,0,0|3,0,0]=4 184 B11R0.147 CC(=CCNC(=O)/C=C/CN)C m_240690__17028040__16887350 [0,1,0,0,0,0|3,0,0]=4 185 B11R0.147 CC(=CCNC(=O)C=CCO)C m_22__9277640__13570734 [0,1,0,0,0,0|2,0,0]=3 186 B11R0.147 CC(=CCNC(=O)CCNO)C m_240690__17028040__21394576 [0,1,0,0,0,0|2,0,1]=4 187 B11R0.147 CC(=CCNC(=O)NCCO)C m_2708__9277676__908988 [0,1,0,0,0,0|2,0,1]=4 188 B11R0.147 CC(=CCNC(C)CCCO)C m_2230__22399382__681184 [0,1,0,0,0,0|1,0,2]=4 189 B11R0.147 CC(=CCSC(C)CCCO)C m_7__22988038__10267514 [0,1,0,0,0,0|1,0,2]=4 190 B11R0.147 CCC=CC(=O)NCC=C(C)C m_22__9277640__12103034 [0,1,0,0,0,0|3,0,0]=4 191 B11R0.147 CCC=CC(=O)OCC=C(C)C m_276436__14079874__14096172 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.147 CCCCN(C)CCC=C(C)C m_2230__665312__12121626 [0,1,0,0,0,0|2,0,1]=4 193 B11R0.147 CCCNC(=O)CCC=C(C)C m_527__154065__14052494 [0,1,0,0,0,0|2,0,1]=4 194 B11R0.147 CCCNC(C)CCC=C(C)C m_269862__7192572__7200712 [0,1,0,0,0,0|1,0,2]=4 195 B11R0.147 CCCOC(=O)CCC=C(C)C m_276436__14076550__14110446 [0,1,0,0,0,0|2,0,1]=4 196 B11R0.147 CCNCC(C)CCC=C(C)C m_270004__8160850__24715026 [0,1,0,0,0,0|1,0,2]=4 197 B11R0.147 CCNNC(=O)CCC=C(C)C m_240690__21583724__14052514 [0,1,0,0,0,0|3,0,0]=4 198 B11R0.147 CCON=C(C)CCC=C(C)C m_4__158181__6553850 [0,1,0,0,0,0|2,0,0]=3 199 B11R0.147 CCONC(=O)CCC=C(C)C m_22__303688__14052492 [0,1,0,0,0,0|3,0,0]=4 200 B11R0.147 CNCCN(C)CCC=C(C)C m_269982__10880304__12124166 [0,1,0,0,0,0|2,0,1]=4 201 B11R0.147 COCCC(=O)NCC=C(C)C m_527__9277660__2909592 [0,1,0,0,0,0|2,0,1]=4 202 B11R0.147 COCCC(=O)OCC=C(C)C m_1458__2909598__10267524 [0,1,0,0,0,0|2,0,1]=4 203 B11R0.147 COCCC(C)NCC=C(C)C m_2230__22398948__681184 [0,1,0,0,0,0|1,0,2]=4 204 B11R0.147 COCCC(C)SCC=C(C)C m_62__12201838__6956440 [0,1,0,0,0,0|1,0,2]=4 205 B11R0.147 COCCN(C)CCC=C(C)C m_2230__2013888__12121626 [0,1,0,0,0,0|1,0,1]=3 206 B11R0.147 COCNC(=O)NCC=C(C)C m_68__23330438__21690156 [0,1,0,0,0,0|3,0,0]=4 207 B11R0.147 COCOC(=O)CCC=C(C)C m_1458__14052496__484704 [0,1,0,0,0,0|2,0,0]=3 208 B11R0.147 CON=CC(=O)NCC=C(C)C m_527__9277660__9864668 [0,1,0,0,0,0|3,0,0]=4 209 B11R0.147 CSCCN(C)CCC=C(C)C m_2230__7207368__12121626 [0,1,0,0,0,0|1,1,1]=4 210 B11R0.174 CC(=CCO)CSCC(C)CO m_7__6078536__20765532 [0,1,0,0,0,0|1,0,2]=4 211 B11R0.174 CC(=CCl)CSCC(=CCO)C m_7__9703826__20765532 [0,1,0,0,0,0|1,0,2]=4 212 B11R0.174 CCC(C)CSCC(=CCO)C m_7__7022538__20765532 [0,1,0,0,0,0|1,0,2]=4 213 B11R0.174 CNC(=O)CSCC(=CCO)C m_7__9788170__20765532 [0,1,0,0,0,0|2,0,1]=4 214 B11R0.174 COC(=O)CSCC(=CCO)C m_7__29561__20765532 [0,1,0,0,0,0|2,0,1]=4 215 B11R0.174 COC(C)CSCC(=CCO)C m_7__22986820__20765532 [0,1,0,0,0,0|1,0,2]=4 216 B11R0.174 CON(C)CCCC(=CCO)C m_2230__679026__22383944 [0,1,0,0,0,0|1,0,1]=3 217 B11R0.180 CC(=CCO)CNCP(=O)(C)C m_2230__19438450__20765536 [0,1,0,0,0,0|2,0,1]=4 218 B11R0.180 CC(=CCO)CSCC(C)(C)C m_7__9780138__20765532 [0,1,0,0,0,0|1,0,2]=4 219 B11R0.180 CC(=CCO)CSCC(C)(C)N m_7__22849170__20765532 [0,1,0,0,0,0|1,0,2]=4 220 B11R0.180 CC(=CCO)CSCC(C)(C)O m_7__22987452__20765532 [0,1,0,0,0,0|1,0,2]=4 221 B11R0.180 CC(=CCO)CSC[Si](C)(C)C m_7__17541628__20765532 [0,1,0,0,0,0|1,1,1]=4 222 B11R1.15 CC1=CCN(C1)C(=O)CCO m_487__18687226__12879784 [0,0,0,1,0,0|2,0,1]=4 223 B11R1.124 CCC=C1CCN(C1)C(=O)C m_270062__14780936__15585492 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.124 CCC=C1CCN(C1)C(C)C m_2230__14780924__680832 [0,0,0,1,0,0|2,0,1]=4 225 B11R1.154 CC(=CCCN1CC(C1)F)C m_2230__15542798__12121626 [0,0,0,1,0,0|2,0,1]=4 226 B11R1.172 CC(=CCCN1CCCC1)C m_2230__678722__12121626 [0,0,0,1,0,0|2,0,1]=4 227 B11R1.172 CC(=CCNC1CCOC1)C m_270004__9277694__8157394 [0,0,0,1,0,0|1,0,2]=4 228 B11R1.172 CC(=CCSC1CCOC1)C m_62__12201838__10903820 [0,0,0,1,0,0|1,0,2]=4 229 B11R1.290 CC(=CCO)CSCC1CC1 m_7__10390288__20765532 [0,0,0,1,0,0|1,0,2]=4 230 B11R1.720 CC(=CCCN(C)C1CC1)C m_2230__804662__12121626 [0,0,0,1,0,0|2,0,1]=4 231 B9R0.48 C=C(C)CCN(C)CCO m_2230__679202__10158748 [0,0,0,0,1,0|1,0,2]=4 232 B9R0.48 CC(=CCN(C)CCN)C m_269982__10894792__22499720 [0,0,0,0,1,0|2,0,1]=4 233 B9R0.48 CC(=CCN(C)CCO)C m_2230__679202__681184 [0,0,0,0,1,0|1,0,1]=3 234 B9R0.48 CC(=CCN(C)CCO)Cl m_2230__679202__12215360 [0,0,0,0,1,0|2,0,1]=4 235 B9R0.48 CC(=O)CCN(C)CCO m_2230__679202__22368824 [0,0,0,0,1,0|2,0,1]=4 236 B9R0.48 CC(=O)OCC(=CCO)C m_1458__473186__20765534 [0,0,0,0,1,0|2,0,0]=3 237 B9R0.48 CC(C)CCN(C)CCO m_2230__15147462__2463448 [0,0,0,0,1,0|1,0,2]=4 238 B9R0.48 CC/C=C(\C)/CNC(=O)C m_22__24029806__58844 [0,0,0,0,1,0|3,0,0]=4 239 B9R0.48 CCCN(C)CC=C(C)C m_2230__2261920__681184 [0,0,0,0,1,0|2,0,1]=4 240 B9R0.48 CCNC(=O)CC=C(C)C m_22__57815__21288532 [0,0,0,0,1,0|3,0,0]=4 241 B9R0.48 CN(C)CCN(C)CCO m_2230__15141024__2463448 [0,0,0,0,1,0|2,0,1]=4 242 B11R0.176 C/C=C/C(=O)NCCC=C(C)C m_11__9277426__22136110 [0,0,0,0,0,1|2,0,1]=4 243 B11R0.176 CC(=CCCCN(C)CCO)C m_270004__8127950__16886698 [0,0,0,0,0,1|1,0,1]=3 244 B11R0.176 CC(=CCCNC(=O)CCBr)C m_270062__16420556__20844442 [0,0,0,0,0,1|2,0,1]=4 245 B11R0.176 CC(=CCCNC(=O)CCN)C m_240690__17028036__3025680 [0,0,0,0,0,1|2,0,1]=4 246 B11R0.176 CC(=CCCNC(=O)CCO)C m_487__9277444__12879784 [0,0,0,0,0,1|1,0,1]=3 247 B11R0.176 CC(=CCCNC(C)CCN)C m_269982__22505446__12124166 [0,0,0,0,0,1|1,0,2]=4 248 B11R0.176 CC(=CCCNC(C)CCO)C m_2230__22400640__12121626 [0,0,0,0,0,1|0,0,2]=3 249 B11R0.176 CC(=CCCN[C@H](C)CCF)C m_2230__22404666__12121626 [0,0,0,0,0,1|1,0,2]=4 250 B11R0.176 CC(=CCCSC(C)CCO)C m_7__5819074__12121616 [0,0,0,0,0,1|0,0,2]=3 251 B11R0.176 CC(=CCO)CSCCC(C)C m_7__22987856__20765532 [0,0,0,0,0,1|0,0,2]=3 252 B11R0.176 CC(=CCO)CSCCC(C)N m_7__20871360__20765532 [0,0,0,0,0,1|1,0,2]=4 253 B11R0.176 CC(=CCO)CSCCN(C)C m_7__6950568__20765532 [0,0,0,0,0,1|1,0,1]=3 254 B11R0.176 CC(=CCON=C(N)CCO)C m_34__8845210__12201834 [0,0,0,0,0,1|2,0,1]=4 255 B11R0.176 CC(=CCSCC(O)CCO)C m_63__9422688__16726650 [0,0,0,0,0,1|1,0,2]=4 256 B11R0.176 CC=CC(=O)NCCC=C(C)C m_273270__13679086__15281756 [0,0,0,0,0,1|2,0,1]=4 257 B11R0.176 CCCC(=NOCC=C(C)C)C m_34__15258682__12201834 [0,0,0,0,0,1|2,0,1]=4 258 B11R0.176 CCCC(=O)NCCC=C(C)C m_270062__16420556__17814498 [0,0,0,0,0,1|2,0,1]=4 259 B11R0.176 CCCC(=O)OCCC=C(C)C m_1458__473330__12121624 [0,0,0,0,0,1|2,0,1]=4 260 B11R0.176 CCCC(C)CNCC=C(C)C m_270004__9277694__8300564 [0,0,0,0,0,1|1,0,2]=4 261 B11R0.176 CCCC(C)NCCC=C(C)C m_2230__22397382__12121626 [0,0,0,0,0,1|1,0,2]=4 262 B11R0.176 CCCC(C)SCCC=C(C)C m_62__12121620__10638528 [0,0,0,0,0,1|1,0,2]=4 263 B11R0.176 CCCN(C)CCCC=C(C)C m_270004__8134916__16886698 [0,0,0,0,0,1|2,0,1]=4 264 B11R0.176 CCNC(=NCCC=C(C)C)N m_264822__9277480__3499528 [0,0,0,0,0,1|3,0,0]=4 265 B11R0.176 CCNC(=O)CSCC=C(C)C m_62__12201838__81303 [0,0,0,0,0,1|3,0,0]=4 266 B11R0.176 CCNC(=O)NCCC=C(C)C m_2554__9277464__951600 [0,0,0,0,0,1|3,0,0]=4 267 B11R0.176 CCNC(=S)NCCC=C(C)C m_8__9277424__83696 [0,0,0,0,0,1|3,0,0]=4 268 B11R0.176 CCOC(=O)CNCC=C(C)C m_270004__9277694__8957134 [0,0,0,0,0,1|3,0,0]=4 269 B11R0.176 CCOC(=O)CSCC=C(C)C m_7__27132__10267514 [0,0,0,0,0,1|3,0,0]=4 270 B11R0.176 CCOC(=O)NCCC=C(C)C m_282070__22215730__22150950 [0,0,0,0,0,1|3,0,0]=4 271 B8R0.6 C/C=C/CCN(C)OC m_2230__679026__23858420 [2,0,0,0,0,0|2,0,0]=4 272 B8R0.6 CC=CCCC(=O)NC m_22__387492__16726278 [2,0,0,0,0,0|2,0,0]=4 273 B8R0.6 CC=CCCC(=O)NO m_527__388132__16726280 [2,0,0,0,0,0|2,0,0]=4 274 B8R0.6 CC=CCCC(=O)OC m_276436__14076652__16726292 [2,0,0,0,0,0|2,0,0]=4 275 B8R0.6 CC=CCNC(=O)CO m_22__14317856__7941800 [2,0,0,0,0,0|2,0,0]=4 276 B8R0.6 CC=CCNC(C)CO m_269862__14317892__15157990 [2,0,0,0,0,0|1,0,1]=4 277 B8R0.6 CC=CCN[C@H](C)CO m_2230__22399532__681024 [2,0,0,0,0,0|1,0,1]=4 278 B8R0.7 C/C=C/CCNC(=O)C m_22__24036082__58844 [2,0,0,0,0,0|2,0,0]=4 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m_22__58357__14052492 [2,0,0,0,0,0|1,0,1]=4 293 B8R0.28 CC(=CCNC(C)C)C m_269862__9277692__7204804 [2,0,0,0,0,0|1,0,1]=4 294 B8R0.28 CC(=CCSC(C)C)C m_62__12201838__2390352 [2,0,0,0,0,0|1,0,1]=4 295 B8R0.28 CC(=O)NCC=C(C)C m_270062__16413502__15585492 [2,0,0,0,0,0|1,0,1]=4 296 B8R0.28 CC(=O)OCC=C(C)C m_276436__14079874__14088324 [2,0,0,0,0,0|1,0,1]=4 297 B8R0.4 C/C=C/CCSCCO m_62__23858414__10178562 [2,0,0,0,0,0|1,0,1]=4 298 B8R0.1 C=CCCN(C)CCO m_2230__679202__8929530 [2,0,0,0,0,0|1,0,1]=4 299 B8R0.1 CC=CCN(C)CCO m_2230__679202__681024 [2,0,0,0,0,0|1,0,1]=4 300 B8R0.1 CCSCC(=CCO)C m_7__22987770__20765532 [2,0,0,0,0,0|1,0,1]=4 301 B10R0.44 CC(=CC(C)N[C@H](C)CO)C m_269862__7194864__14924846 [1,1,0,0,0,0|1,0,1]=4 302 B10R0.57 CC(=CCN(C)C(C)CO)C m_2230__7785428__681184 [1,1,0,0,0,0|1,0,1]=4 303 B10R0.65 CC(=CCNC(C)(C)CO)C m_2230__3081244__681184 [1,1,0,0,0,0|1,0,1]=4 304 B10R0.65 CC(=CCSC(C)(C)CO)C m_7__22987538__10267514 [1,1,0,0,0,0|1,0,1]=4 305 B10R0.77 CC(=CCNC(CN)CO)C m_269982__22505370__22499720 [1,1,0,0,0,0|1,0,1]=4 306 B10R0.77 CC(=CCNC(CO)CO)C m_2230__10738176__681184 [1,1,0,0,0,0|1,0,1]=4 307 B10R0.77 CC(=CCN[C@@H](CO)CF)C m_2230__22400244__681184 [1,1,0,0,0,0|1,0,1]=4 308 B10R0.77 CCC(CO)NCC=C(C)C m_2230__13047752__681184 [1,1,0,0,0,0|1,0,1]=4 309 B10R0.77 CCN(CC)CCC=C(C)C m_2230__678602__12121626 [1,1,0,0,0,0|1,0,1]=4 310 B10R0.77 CN=C(NC)NCC=C(C)C m_58668__9277682__2227894 [1,1,0,0,0,0|2,0,0]=4 311 B10R0.82 CC(=C(Br)CNC(=O)CO)C m_22__15074858__7941800 [1,1,0,0,0,0|2,0,0]=4 312 B10R0.82 CC(=C(Br)CNC(C)CO)C m_269862__15074898__15157990 [1,1,0,0,0,0|1,0,1]=4 313 B10R0.82 CC(=C(Br)CN[C@H](C)CO)C m_2230__22399532__15153572 [1,1,0,0,0,0|1,0,1]=4 314 B10R0.82 CC(=C(Br)CSC(C)CO)C m_7__6338928__15153560 [1,1,0,0,0,0|1,0,1]=4 315 B10R0.82 CC(=C(F)CNC(=O)CO)C m_22__17650528__7941800 [1,1,0,0,0,0|2,0,0]=4 316 B10R0.82 CC(=C(F)CNC(C)CO)C m_269862__17650572__15157990 [1,1,0,0,0,0|1,0,1]=4 317 B10R0.82 CC(=C(F)CN[C@H](C)CO)C m_2230__22399532__17837754 [1,1,0,0,0,0|1,0,1]=4 318 B10R0.82 CC(=C(F)CSC(C)CO)C m_7__6338928__17837742 [1,1,0,0,0,0|1,0,1]=4 319 B10R0.82 CC=C(C)COC(=O)C(C)C m_276436__14085050__14088334 [1,1,0,0,0,0|1,0,1]=4 320 B10R0.82 CON(C)CCC(=C(C)C)C m_2230__679026__22379594 [1,1,0,0,0,0|2,0,0]=4 321 B10R0.98 C=C(C)C(=O)NCC=C(C)C m_270062__16413502__23277672 [1,1,0,0,0,0|2,0,0]=4 322 B10R0.98 CC(=CCCC(=O)N(C)C)C m_1626__24364878__22120310 [1,1,0,0,0,0|2,0,0]=4 323 B10R0.98 CC(=CCCC(=O)N(C)N)C m_240690__21583792__14052514 [1,1,0,0,0,0|2,0,0]=4 324 B10R0.98 CC(=CCNC(=O)[C@@H](C)O)C m_22__9277640__17541882 [1,1,0,0,0,0|2,0,0]=4 325 B10R0.98 CC(=CCNC(C)C(=O)O)C m_273456__11077030__13259262 [1,1,0,0,0,0|1,0,1]=4 326 B10R0.98 CC(=CCNC(C)C(C)O)C m_269862__9277692__13817824 [1,1,0,0,0,0|1,0,1]=4 327 B10R0.98 CC(=CCN[C@H](C)[C@H](C)O)C m_2230__22400278__681184 [1,1,0,0,0,0|1,0,1]=4 328 B10R0.98 CC(=CCSC(C)C(C)O)C m_7__6286572__10267514 [1,1,0,0,0,0|1,0,1]=4 329 B10R0.98 CC(=O)C(C)SCC=C(C)C m_7__6506312__10267514 [1,1,0,0,0,0|1,0,1]=4 330 B10R0.4 CC(=CCCCNCCO)C m_270004__8349608__16886698 [1,1,0,0,0,0|0,0,2]=4 331 B10R0.4 CC(=CCCSCCCO)C m_7__10972294__12121616 [1,1,0,0,0,0|0,0,2]=4 332 B10R0.4 CC(=CCSCC#CCO)C m_62__12201838__15141012 [1,1,0,0,0,0|0,0,2]=4 333 B10R0.4 CC(=CCSCCCCO)C m_7__22849690__10267514 [1,1,0,0,0,0|0,0,2]=4 334 B10R0.4 CC(C)CCNCC=CCO m_207__11971532__134014 [1,1,0,0,0,0|0,0,2]=4 335 B10R0.4 CC(C)CCSCC=CCO m_7__22987856__16809272 [1,1,0,0,0,0|0,0,2]=4 336 B10R0.4 CCC=NOCCC=C(C)C m_34__17309904__12121618 [1,1,0,0,0,0|2,0,0]=4 337 B10R0.4 CCON=CCCC=C(C)C m_4__158181__16887922 [1,1,0,0,0,0|2,0,0]=4 338 B10R0.4 CN(C)CCSCC=CCO m_7__6950568__16809272 [1,1,0,0,0,0|1,0,1]=4 339 B10R0.4 COCCSCCC=C(C)C m_62__12121620__8623480 [1,1,0,0,0,0|1,0,1]=4 340 B10R0.55 CC(=CCCNC(=O)CN)C m_240690__17028036__3025698 [1,1,0,0,0,0|2,0,0]=4 341 B10R0.55 CC(=CCCNC(=O)CO)C m_22__9277430__7941800 [1,1,0,0,0,0|1,0,0]=3 342 B10R0.55 CC(=CCCNC(C)CO)C m_269862__9277482__15157990 [1,1,0,0,0,0|1,0,1]=4 343 B10R0.55 CC(=CCCN[C@H](C)CO)C m_2230__22399532__12121626 [1,1,0,0,0,0|1,0,1]=4 344 B10R0.55 CC(=CCCSC(C)CO)C m_7__6338928__12121616 [1,1,0,0,0,0|1,0,1]=4 345 B10R0.55 CC(=CCONC(=N)CO)C m_34__11944490__12201834 [1,1,0,0,0,0|2,0,0]=4 346 B10R0.55 CC(=CCONC(=O)CO)C m_22__24029506__7941800 [1,1,0,0,0,0|2,0,0]=4 347 B10R0.55 CCC(=O)NCCC=C(C)C m_270062__16420556__22005658 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.55 CCC(=O)OCCC=C(C)C m_1458__473508__12121624 [1,1,0,0,0,0|2,0,0]=4 349 B10R0.75 C=C(C)C(=O)NCC=CCO m_270062__16414618__23277672 [1,1,0,0,0,0|1,0,1]=4 350 B10R0.75 CC(C)C(=O)NCC=CCO m_270062__16414618__13861800 [1,1,0,0,0,0|1,0,1]=4 351 B10R0.75 CC(C)C(=O)OCC=CCO m_1458__473302__16809274 [1,1,0,0,0,0|1,0,1]=4 352 B10R0.75 CN(C)C(=O)NCC=CCO m_68__23305620__22160914 [1,1,0,0,0,0|2,0,0]=4 353 B10R0.97 CC(=CCCC=CC(=O)N)C m_22__58357__16887744 [1,1,0,0,0,0|0,0,2]=4 354 B10R0.97 CC(=CCCNCC(C)O)C m_273610__11527688__11516404 [1,1,0,0,0,0|1,0,1]=4 355 B10R0.97 CC(=CCCSCC(C)O)C m_7__10953796__12121616 [1,1,0,0,0,0|1,0,1]=4 356 B10R0.1 C/C=C/CCNC(C)CCO m_2230__22400640__23858420 [1,1,0,0,0,0|0,0,2]=4 357 B10R0.1 C/C=C/CCSC(C)CCO m_7__5819074__23858408 [1,1,0,0,0,0|0,0,2]=4 358 B10R0.1 CC#CCSCC(=CCO)C m_7__22987458__20765532 [1,1,0,0,0,0|0,0,2]=4 359 B10R0.1 CC(=CCO)CSC/C=C\Br m_7__22544354__20765532 [1,1,0,0,0,0|1,0,0]=3 360 B10R0.1 CC=CCCCN(C)CCO m_2230__679202__16975682 [1,1,0,0,0,0|1,0,1]=4 361 B10R0.1 CCC=CCCN(C)CCO m_2230__679202__8859726 [1,1,0,0,0,0|1,0,1]=4 362 B10R0.1 CCSCCCC(=CCO)C m_7__22987770__22787184 [1,1,0,0,0,0|0,0,2]=4 363 B10R0.1 CNCCSCC(=CCO)C m_7__22986920__20765532 [1,1,0,0,0,0|1,0,1]=4 364 B10R0.1 COCCSCC(=CCO)C m_7__6362310__20765532 [1,1,0,0,0,0|1,0,1]=4 365 B10R0.24 C/C=C/CCN(CC)CCO m_2230__3225026__23858420 [1,1,0,0,0,0|1,0,1]=4 366 B10R0.24 C/C=C/CCN(CCO)OC m_2230__9111768__23858420 [1,1,0,0,0,0|1,0,1]=4 367 B10R0.83 C/C=C/CCN(C)C(C)CO m_2230__7785428__23858420 [1,1,0,0,0,0|1,0,1]=4 368 B10R0.83 C=C(CO)C(=O)NCC=CC m_22__14317856__9436058 [1,1,0,0,0,0|2,0,0]=4 369 B10R0.91 C/C=C/CCN(C)CCCO m_2230__9787816__23858420 [1,1,0,0,0,0|1,0,1]=4 370 B10R0.91 C/C=C/CCN(C)CCOC m_2230__2013888__23858420 [1,1,0,0,0,0|1,0,1]=4 371 B10R0.91 CC=CCCC(=O)NCCO m_527__154483__16726280 [1,1,0,0,0,0|1,0,1]=4 372 B10R0.91 CC=CCCC(=O)OCCO m_1458__16726282__485506 [1,1,0,0,0,0|1,0,1]=4 373 B10R0.91 CC=CCCC(=O)OCOC m_1458__16726282__484704 [1,1,0,0,0,0|2,0,0]=4 374 B10R0.91 CC=CCNC(=O)C=CCO m_22__14317856__13570734 [1,1,0,0,0,0|2,0,0]=4 375 B10R0.108 CCC(=O)OCC(=CCO)C m_1458__473508__20765534 [1,1,0,0,0,0|1,0,1]=4 376 B10R0.26 CC(=C(Br)CN(C)CCO)C m_2230__679202__15153572 [0,1,0,0,1,0|1,0,1]=4 377 B10R0.26 CC(=C(F)CN(C)CCO)C m_2230__679202__17837754 [0,1,0,0,1,0|1,0,1]=4 378 B10R0.27 CCN(CC=C(C)C)CCO m_2230__3225026__681184 [0,1,0,0,1,0|1,0,1]=4 379 B10R0.27 CON(CC=C(C)C)CCO m_2230__9111768__681184 [0,1,0,0,1,0|1,0,1]=4 380 B10R0.96 CC(=CCN(C)CC(C)O)C m_2230__5729954__681184 [0,1,0,0,1,0|1,0,1]=4 381 B10R0.109 CC(=CCO)CNC(C)(C)C m_2230__3081242__20765536 [0,1,0,0,1,0|1,0,1]=4 382 B12R0.54 CC(=CCCC(=O)N(C)CCO)C m_527__564568__14052494 [0,1,0,0,0,1|1,0,1]=4 383 B12R0.54 CC(=CCCN(C)C(C)CCO)C m_2230__11733728__12121626 [0,1,0,0,0,1|0,0,2]=4 384 B12R0.54 CC(=CCCN(C)[C@H](C)CCO)C m_2230__22409128__12121626 [0,1,0,0,0,1|0,0,2]=4 385 B12R0.54 CC(=CCNC(=O)C(=CCN)C)C m_240690__17028040__13754342 [0,1,0,0,0,1|1,0,1]=4 386 B12R0.54 CC(=CCNC(=O)C(=CCO)C)C m_22__9277640__25074292 [0,1,0,0,0,1|0,0,1]=3 387 B12R0.54 CCC=C(C)C(=O)NCC=C(C)C m_527__9277660__16527530 [0,1,0,0,0,1|1,0,1]=4 388 B12R0.54 CCC=C(C)C(=O)OCC=C(C)C m_276436__14079874__16527542 [0,1,0,0,0,1|1,0,1]=4 389 B12R0.72 CC(=CCO)CCCNC(C)(C)C m_2230__3081242__22383944 [0,1,0,0,0,1|0,0,2]=4 390 B12R0.72 CC(=CCO)CSCCC(C)(C)C m_7__22988126__20765532 [0,1,0,0,0,1|0,0,2]=4 391 B12R0.72 CC(=CCO)CSCCC(C)(C)O m_7__11758710__20765532 [0,1,0,0,0,1|0,0,2]=4 392 B12R0.86 C=C(CC)C(=O)NCCC=C(C)C m_273270__13679086__21397238 [0,1,0,0,0,1|2,0,0]=4 393 B12R0.86 C=C(CO)C(=O)NCCC=C(C)C m_22__9277430__9436058 [0,1,0,0,0,1|1,0,0]=3 394 B12R0.86 C=C(CO)C(=O)NOCC=C(C)C m_22__24029506__9436058 [0,1,0,0,0,1|2,0,0]=4 395 B12R0.86 CC(=CCCCN(C)C(C)CO)C m_270004__24150182__16886698 [0,1,0,0,0,1|1,0,1]=4 396 B12R0.86 CC(=CCCNC(=O)C(C)CO)C m_22__9277430__16784146 [0,1,0,0,0,1|1,0,1]=4 397 B12R0.86 CC(=CCCNC(=O)C(N)CO)C m_240690__17028036__12887534 [0,1,0,0,0,1|1,0,1]=4 398 B12R0.86 CC(=CCCNC(=O)[C@H](N)CO)C m_240690__17028036__12297580 [0,1,0,0,0,1|1,0,1]=4 399 B12R0.86 CC(=CCCNC(C)C(C)CO)C m_2230__8740410__12121626 [0,1,0,0,0,1|0,0,2]=4 400 B12R0.86 CC(=CCCN[C@@H](C)[C@H](N)CO)C m_269982__22505312__12124166 [0,1,0,0,0,1|0,0,2]=4 401 B12R0.86 CC(=CCCSC(C)C(C)CO)C m_7__22987758__12121616 [0,1,0,0,0,1|0,0,2]=4 402 B12R0.95 CC(=CCCCN(C)CCCO)C m_270004__9787826__16886698 [0,1,0,0,0,1|1,0,1]=4 403 B12R0.95 CC(=CCCNC(=O)/C=C/CF)C m_11__9277426__22137828 [0,1,0,0,0,1|2,0,0]=4 404 B12R0.95 CC(=CCCNC(=O)/C=C/CN)C m_240690__17028036__16887350 [0,1,0,0,0,1|2,0,0]=4 405 B12R0.95 CC(=CCCNC(=O)C=CCO)C m_22__9277430__13570734 [0,1,0,0,0,1|1,0,0]=3 406 B12R0.95 CC(=CCCNC(=O)CCNO)C m_240690__17028036__21394576 [0,1,0,0,0,1|1,0,1]=4 407 B12R0.95 CC(=CCCNC(=O)NCCO)C m_2708__9277466__908988 [0,1,0,0,0,1|1,0,1]=4 408 B12R0.95 CC(=CCCNC(C)CCCO)C m_2230__22399382__12121626 [0,1,0,0,0,1|0,0,2]=4 409 B12R0.95 CC(=CCCSC(C)CCCO)C m_7__22988038__12121616 [0,1,0,0,0,1|0,0,2]=4 410 B12R0.95 CC(=CCONC(=O)C=CCO)C m_22__24029506__13570734 [0,1,0,0,0,1|2,0,0]=4 411 B12R0.95 CCC=CC(=O)NCCC=C(C)C m_22__9277430__12103034 [0,1,0,0,0,1|2,0,0]=4 412 B12R0.95 CCC=CC(=O)OCCC=C(C)C m_1458__478220__12121624 [0,1,0,0,0,1|2,0,0]=4 413 B12R0.95 COCCC(=O)NCCC=C(C)C m_527__9277450__2909592 [0,1,0,0,0,1|1,0,1]=4 414 B12R0.95 COCCC(=O)OCCC=C(C)C m_1458__2909598__12121624 [0,1,0,0,0,1|1,0,1]=4 415 B12R0.95 COCCC(C)NCCC=C(C)C m_2230__22398948__12121626 [0,1,0,0,0,1|0,0,2]=4 416 B12R0.95 COCCC(C)SCCC=C(C)C m_62__12121620__6956440 [0,1,0,0,0,1|0,0,2]=4 417 B12R0.95 COCCN(C)CCCC=C(C)C m_270004__8129546__16886698 [0,1,0,0,0,1|1,0,1]=4 418 B12R0.95 COCNC(=O)NCCC=C(C)C m_68__23347864__21690156 [0,1,0,0,0,1|2,0,0]=4 419 B12R0.95 CON=CC(=O)NCCC=C(C)C m_527__9277450__9864668 [0,1,0,0,0,1|2,0,0]=4 420 B12R0.172 CC(=CCCNC(C)(C)CCO)C m_2230__22483446__12121626 [0,1,0,0,0,1|0,0,2]=4 421 B12R0.172 CC(=CCCSC(C)(C)CCO)C m_7__22988032__12121616 [0,1,0,0,0,1|0,0,2]=4 422 B12R0.224 CC(=CCCNC(CO)CCO)C m_2230__22404146__12121626 [0,1,0,0,0,1|0,0,2]=4 423 B12R0.224 CCC(CCO)SCCC=C(C)C m_7__22987708__12121616 [0,1,0,0,0,1|0,0,2]=4 424 B12R0.224 CCN(CCO)CCCC=C(C)C m_270004__8128004__16886698 [0,1,0,0,0,1|1,0,1]=4 425 B12R0.224 CC[C@@H](CCO)NCCC=C(C)C m_2230__22403216__12121626 [0,1,0,0,0,1|0,0,2]=4 426 B12R0.270 CC(=CCCCN(C)CC(C)O)C m_270004__8739444__16886698 [0,1,0,0,0,1|1,0,1]=4 427 B12R0.270 CC(=CCCCN(C)C[C@@H](C)O)C m_270004__16620752__16886698 [0,1,0,0,0,1|1,0,1]=4 428 B12R0.270 CC(=CCCNC(=O)CC(C)O)C m_487__9277444__23862482 [0,1,0,0,0,1|1,0,1]=4 429 B12R0.270 CC(=CCCNC(C)CC(C)O)C m_2230__22399846__12121626 [0,1,0,0,0,1|0,0,2]=4 430 B12R0.270 CC(=CCCOC(=O)C[C@@H](C)O)C m_1458__21596576__12121624 [0,1,0,0,0,1|1,0,1]=4 431 B12R0.272 CC(=CC(=O)OCC(=CCO)C)C m_1458__472828__20765534 [0,1,0,0,0,1|0,0,1]=3 432 B12R0.272 CC(=CC(C)NCC(C)CCO)C m_269862__7199086__14924846 [0,1,0,0,0,1|0,0,2]=4 433 B12R0.272 CC(=CCO)CNC(C)CC(C)C m_2230__22399870__20765536 [0,1,0,0,0,1|0,0,2]=4 434 B12R0.272 CC(=CCO)CN[C@@H](C)CN(C)C m_2230__22399874__20765536 [0,1,0,0,0,1|1,0,1]=4 435 B12R0.272 CC(=CCO)COC(=O)CC(C)C m_1458__473118__20765534 [0,1,0,0,0,1|1,0,1]=4 436 B12R0.272 CC/C=C(\C)/CNC(=O)C=C(C)C m_22__24029806__59124 [0,1,0,0,0,1|1,0,1]=4 437 B12R0.276 CC(=CCO)CCCNC(C)CCl m_2230__22399894__22383944 [0,1,0,0,0,1|0,0,2]=4 438 B12R0.276 CC(=CCO)CCCN[C@H](C)CF m_2230__22399906__22383944 [0,1,0,0,0,1|0,0,2]=4 439 B12R0.276 CC(=CCO)CCCN[C@H](C)CN m_269982__22505378__22488566 [0,1,0,0,0,1|0,0,2]=4 440 B12R0.276 CC(=CCO)CCCN[C@H](C)CO m_2230__22399532__22383944 [0,1,0,0,0,1|0,0,2]=4 441 B12R0.276 CC(=CCO)CCCSC(C)CO m_7__6338928__22787184 [0,1,0,0,0,1|0,0,2]=4 442 B12R0.276 CC(=CCO)CCCS[C@@H](C)CN m_7__20871330__22787184 [0,1,0,0,0,1|0,0,2]=4 443 B12R0.276 CCC(C)NCCCC(=CCO)C m_2230__22399526__22383944 [0,1,0,0,0,1|0,0,2]=4 444 B12R0.276 CCN(C)CCSCC(=CCO)C m_7__14769896__20765532 [0,1,0,0,0,1|1,0,1]=4 445 B12R0.276 COC(=O)CCSCC(=CCO)C m_7__27270__20765532 [0,1,0,0,0,1|1,0,1]=4 446 B12R0.276 COC(C)CCSCC(=CCO)C m_7__22987798__20765532 [0,1,0,0,0,1|0,0,2]=4 447 B12R0.279 CC(=C(C)CCNC(C)CCO)C m_2230__22400640__22379594 [0,1,0,0,0,1|0,0,2]=4 448 B12R0.279 CC(=CCO)CSCC(=O)N(C)C m_7__10861282__20765532 [0,1,0,0,0,1|1,0,0]=3 449 B12R0.283 CC(=CCN(C)CC(C)CCO)C m_2230__22406006__681184 [0,1,0,0,0,1|0,0,2]=4 450 B12R0.140 CC(=CCCN(C)CC(C)(C)O)C m_2230__4971308__12121626 [0,2,0,0,0,0|1,0,1]=4 451 B12R0.240 CC(=CCCC(=O)NC(C)CO)C m_527__564612__14052494 [0,2,0,0,0,0|1,0,1]=4 452 B12R0.240 CC(=CCCC(C)CC(=O)NO)C m_527__388132__11569076 [0,2,0,0,0,0|1,0,1]=4 453 B12R0.240 CC(=CCCC(C)NC(=O)CN)C m_240690__21554630__3025698 [0,2,0,0,0,0|1,0,1]=4 454 B12R0.240 CC(=CCCC(C)NC(=O)CO)C m_22__10690434__7941800 [0,2,0,0,0,0|0,0,1]=3 455 B12R0.240 CC(=CCCC(C)NC(C)CO)C m_269862__10690474__15157990 [0,2,0,0,0,0|0,0,2]=4 456 B12R0.240 CC(=CCCC(C)N[C@H](C)CO)C m_269862__7194864__7200712 [0,2,0,0,0,0|0,0,2]=4 457 B12R0.240 CC(=CCCN(C)CC(C)CO)C m_2230__5903708__12121626 [0,2,0,0,0,0|1,0,1]=4 458 B12R0.240 CC(=CCCN(C)CC(O)CF)C m_2230__14324520__12121626 [0,2,0,0,0,0|1,0,1]=4 459 B12R0.240 CC(=CCCN(C)CC(O)CN)C m_269982__10880336__12124166 [0,2,0,0,0,0|1,0,1]=4 460 B12R0.240 CC(=CCCN(C)C[C@@H](O)CO)C m_2230__22405902__12121626 [0,2,0,0,0,0|1,0,1]=4 461 B12R0.240 CC(=CCNC(=O)/C=C(\C)/CO)C m_22__9277640__24596156 [0,2,0,0,0,0|2,0,0]=4 462 B12R0.240 CCC(=O)NC(C)CCC=C(C)C m_270062__16414554__22005658 [0,2,0,0,0,0|1,0,1]=4 463 B12R0.240 CCC(O)CN(C)CCC=C(C)C m_2230__15766958__12121626 [0,2,0,0,0,0|1,0,1]=4 464 B12R0.240 COC(C)CN(C)CCC=C(C)C m_2230__10158424__12121626 [0,2,0,0,0,0|1,0,1]=4 465 B12R0.535 CCN(CCC=C(C)C)CC(C)O m_2230__5344536__12121626 [0,2,0,0,0,0|1,0,1]=4 466 B12R0.535 CCN(CCC=C(C)C)C[C@H](C)O m_2230__17693280__12121626 [0,2,0,0,0,0|1,0,1]=4 467 B12R0.687 CC(=C(C)CCN(C)CC(C)O)C m_2230__5729954__22379594 [0,2,0,0,0,0|1,0,1]=4 468 B12R0.164 C=CCN(CCO)CCC=C(C)C m_2230__5001112__12121626 [0,2,0,0,0,0|1,0,1]=4 469 B12R0.164 CC(=CCCN(CCO)CCO)C m_2230__3225024__12121626 [0,2,0,0,0,0|1,0,1]=4 470 B12R0.164 CCCN(CCO)CCC=C(C)C m_2230__804440__12121626 [0,2,0,0,0,0|1,0,1]=4 471 B12R0.188 CCN(CCC=C(C)C)[C@@H](C)CO m_2230__10548330__12121626 [0,2,0,0,0,0|1,0,1]=4 472 B12R0.254 CCN(CCC=C(C)C)CCCO m_2230__6287314__12121626 [0,2,0,0,0,0|1,0,1]=4 473 B12R0.254 CCN(CCC=C(C)C)CCOC m_2230__10176424__12121626 [0,2,0,0,0,0|1,0,1]=4 474 B12R0.299 CCN(CCO)CCC(=C(C)C)C m_2230__3225026__22379594 [0,2,0,0,0,0|1,0,1]=4 475 B12R0.299 CON(CCO)CCC(=C(C)C)C m_2230__9111768__22379594 [0,2,0,0,0,0|1,0,1]=4 476 B12R0.397 CC(=CCCN(CCO)C(C)C)C m_2230__1169446__12121626 [0,2,0,0,0,0|1,0,1]=4 477 B12R0.16 CC(=CCO)COC(=O)C(C)(C)Br m_1458__23414720__20765534 [0,2,0,0,0,0|1,0,1]=4 478 B12R0.16 CC(=CCO)COC(=O)C(C)(C)C m_1458__803702__20765534 [0,2,0,0,0,0|1,0,1]=4 479 B12R0.16 CC(=CCO)COC(=O)C(C)(C)F m_1458__8158024__20765534 [0,2,0,0,0,0|1,0,1]=4 480 B12R0.48 CC(=C(Br)CNC(=O)C=CCO)C m_22__15074858__13570734 [0,2,0,0,0,0|2,0,0]=4 481 B12R0.48 CC(=C(C)CCN(C)CCCO)C m_2230__9787816__22379594 [0,2,0,0,0,0|1,0,1]=4 482 B12R0.48 CC(=C(F)CNC(=O)C=CCO)C m_22__17650528__13570734 [0,2,0,0,0,0|2,0,0]=4 483 B12R0.48 COCCN(C)CCC(=C(C)C)C m_2230__2013888__22379594 [0,2,0,0,0,0|1,0,1]=4 484 B12R0.79 CC(=CCO)COC(=O)C(C)CBr m_1458__22606896__20765534 [0,2,0,0,0,0|1,0,1]=4 485 B12R0.79 CC(=CCO)COC(=O)C(C)CF m_1458__12111298__20765534 [0,2,0,0,0,0|1,0,1]=4 486 B12R0.79 CCC(C)C(=O)OCC(=CCO)C m_1458__475836__20765534 [0,2,0,0,0,0|1,0,1]=4 487 B12R0.79 CO[C@@H](C)C(=O)OCC(=CCO)C m_1458__16232116__20765534 [0,2,0,0,0,0|1,0,1]=4 488 B12R0.236 C=C(CO)C(=O)NCC(=C(C)C)Br m_22__15074858__9436058 [0,2,0,0,0,0|2,0,0]=4 489 B12R0.236 C=C(CO)C(=O)NCC(=C(C)C)F m_22__17650528__9436058 [0,2,0,0,0,0|2,0,0]=4 490 B12R0.236 CC(=C(C)CCN(C)C(C)CO)C m_2230__7785428__22379594 [0,2,0,0,0,0|1,0,1]=4 491 B12R0.677 CCC(CO)N(C)CCC=C(C)C m_2230__10642192__12121626 [0,2,0,0,0,0|1,0,1]=4 492 B12R0.44 CC(=CCCC(=NOC(C)C)C)C m_4__10691394__6553850 [0,2,0,0,0,0|2,0,0]=4 493 B12R0.44 CC(=CCCC(=O)NCC(=O)O)C m_270112__14876994__14052532 [0,2,0,0,0,0|2,0,0]=4 494 B12R0.44 CC(=CCCC(=O)NCC(C)O)C m_527__564580__14052494 [0,2,0,0,0,0|1,0,1]=4 495 B12R0.44 CC(=CCCC(=O)OCC(=O)O)C m_279392__16579846__16560928 [0,2,0,0,0,0|2,0,0]=4 496 B12R0.44 CC(=CCCC(=O)OCC(C)O)C m_1458__14052496__9780094 [0,2,0,0,0,0|1,0,1]=4 497 B12R0.44 CC(=CCCC(C)NCC(C)O)C m_2230__22399376__9736146 [0,2,0,0,0,0|0,0,2]=4 498 B12R0.44 CC(=CCCN(C)CCC(=O)O)C m_269956__7329822__12123436 [0,2,0,0,0,0|1,0,1]=4 499 B12R0.44 CC(=CCCN(C)CC[C@H](C)O)C m_2230__18186218__12121626 [0,2,0,0,0,0|1,0,1]=4 500 B12R0.233 C#CCON=C(C)CCC=C(C)C m_4__19637030__6553850 [0,2,0,0,0,0|2,0,0]=4 501 B12R0.233 C=CCON=C(C)CCC=C(C)C m_4__10814764__6553850 [0,2,0,0,0,0|2,0,0]=4 502 B12R0.233 CC(=CCCC(=O)NCCCO)C m_527__564570__14052494 [0,2,0,0,0,0|1,0,1]=4 503 B12R0.233 CC(=CCCC(=O)NCCON)C m_240690__19116814__14052514 [0,2,0,0,0,0|1,0,1]=4 504 B12R0.233 CC(=CCCC(=O)NOCCO)C m_22__8989546__14052492 [0,2,0,0,0,0|1,0,1]=4 505 B12R0.233 CC(=CCCC(=O)OCCCO)C m_1458__14052496__484772 [0,2,0,0,0,0|1,0,1]=4 506 B12R0.233 CC(=CCCC(C)CNCCO)C m_270004__8349608__24715026 [0,2,0,0,0,0|0,0,2]=4 507 B12R0.233 CC(=CCCC(C)NCCCO)C m_2230__22399376__680950 [0,2,0,0,0,0|0,0,2]=4 508 B12R0.233 CC(=CCCN(C)CCCCO)C m_2230__9209606__12121626 [0,2,0,0,0,0|1,0,1]=4 509 B12R0.233 CCCON=C(C)CCC=C(C)C m_4__11573770__6553850 [0,2,0,0,0,0|1,0,1]=4 510 B12R0.233 CCOCCN(C)CCC=C(C)C m_2230__8253658__12121626 [0,2,0,0,0,0|1,0,1]=4 511 B12R0.233 COC/C=C/C(=O)NCC=C(C)C m_11__9277636__22137674 [0,2,0,0,0,0|2,0,0]=4 512 B12R0.233 COCC=CC(=O)NCC=C(C)C m_22__9277640__12625302 [0,2,0,0,0,0|2,0,0]=4 513 B12R0.233 COCC=CC(=O)OCC=C(C)C m_276436__14079874__14107148 [0,2,0,0,0,0|2,0,0]=4 514 B12R0.233 COCCCN(C)CCC=C(C)C m_2230__2067964__12121626 [0,2,0,0,0,0|1,0,1]=4 515 B12R0.233 COCCNC(=O)CCC=C(C)C m_527__153920__14052494 [0,2,0,0,0,0|1,0,1]=4 516 B12R0.233 COCCNC(C)CCC=C(C)C m_2230__22399376__666874 [0,2,0,0,0,0|0,0,2]=4 517 B12R0.233 COCCOC(=O)CCC=C(C)C m_276436__14076538__14110446 [0,2,0,0,0,0|1,0,1]=4 518 B12R0.233 COCONC(=O)CCC=C(C)C m_22__20995954__14052492 [0,2,0,0,0,0|2,0,0]=4 519 B12R0.233 CON=CC=C(C)CCC=C(C)C m_4__461206__66859 [0,2,0,0,0,0|0,0,1]=3 520 B12R0.233 CON=CCC(C)CCC=C(C)C m_4__461206__67628 [0,2,0,0,0,0|1,0,1]=4 521 B12R0.265 CCN(CC)CCCC(=CCO)C m_2230__678602__22383944 [0,2,0,0,0,0|1,0,1]=4 522 B12R0.285 C=CCN(C)CCCC(=CCO)C m_2230__9044904__22383944 [0,2,0,0,0,0|1,0,1]=4 523 B12R0.285 CC(=CCO)CCCN(C)CCN m_269982__10894792__22488566 [0,2,0,0,0,0|1,0,1]=4 524 B12R0.285 CC(=CCO)CCCN(C)CCO m_2230__679202__22383944 [0,2,0,0,0,0|1,0,1]=4 525 B12R0.285 CCCN(C)CCCC(=CCO)C m_2230__2261920__22383944 [0,2,0,0,0,0|1,0,1]=4 526 B10R1.13 CC(=O)N1CC=C(CC1)C m_270062__16415058__15585492 [1,0,0,1,0,0|2,0,0]=4 527 B10R1.13 CC1=CCN(CC1)C(C)C m_2230__7832586__680832 [1,0,0,1,0,0|1,0,1]=4 528 B10R1.14 CC1=CCN(C1)C(=O)CO m_22__18687220__7941800 [1,0,0,1,0,0|2,0,0]=4 529 B10R1.54 CC(=CC1=NC(=CO1)C)C m_271570__13019924__11651922 [1,0,0,1,0,0|1,0,1]=4 530 B10R1.127 CC(=CCNC1COC1)C m_269862__9277692__7931470 [1,0,0,1,0,0|1,0,1]=4 531 B10R1.127 CC(=CCSC1COC1)C m_7__13420946__10267514 [1,0,0,1,0,0|1,0,1]=4 532 B10R1.408 CC=C(C)[C@H]1C[C@@H]1C(C)C m_271570__24800698__16886636 [1,0,0,1,0,0|0,0,2]=4 533 B10R1.10 CC1=CCCN(C1)CCO m_2230__9706914__6165700 [1,0,0,1,0,0|1,0,1]=4 534 B10R1.11 CN(CCO)C1CC=CC1 m_2230__679202__16736526 [1,0,0,1,0,0|1,0,1]=4 535 B10R1.85 OCCN1CCC=CCC1 m_2230__22406010__6165700 [1,0,0,1,0,0|1,0,1]=4 536 B10R1.1 CC1=CCN(CC1)CCO m_2230__7832586__6165700 [0,0,0,1,1,0|1,0,1]=4 537 B12R1.17 CC1=CCCN(C1)C(=O)CCO m_487__9706904__12879784 [0,0,0,1,0,1|1,0,1]=4 538 B12R1.17 CC1=CCCN(C1)C(C)CCO m_2230__9706914__13397858 [0,0,0,1,0,1|0,0,2]=4 539 B12R1.31 C=C1CCN(C1)CC(=CCO)C m_2230__13656258__20765536 [0,0,0,1,0,1|0,0,2]=4 540 B12R1.31 CC(=CCO)CN1C=C(C=N1)C m_7__20776250__20765532 [0,0,0,1,0,1|1,0,1]=4 541 B12R1.31 CC(=CCO)CN1CC=C(C1)F m_2230__18187030__20765536 [0,0,0,1,0,1|1,0,0]=3 542 B12R1.31 CC(=CCO)CN1CCC(C1)C m_2230__6813990__20765536 [0,0,0,1,0,1|0,0,2]=4 543 B12R1.31 CC(=CCO)CN1CNC(=O)C1 m_2230__13616464__20765536 [0,0,0,1,0,1|2,0,0]=4 544 B12R1.226 CC(=CCN1CCC=C(C1)Br)C m_2230__9785686__681184 [0,0,0,1,0,1|2,0,0]=4 545 B12R1.226 CC(=CCN1CCC=C(C1)C)C m_2230__9706914__681184 [0,0,0,1,0,1|1,0,0]=3 546 B12R1.226 CC(=CCN1CCC=C(C1)C)Cl m_2230__9706914__12215360 [0,0,0,1,0,1|2,0,0]=4 547 B12R1.226 CC(=CCN1CCC=C(C1)Cl)C m_2230__11676298__681184 [0,0,0,1,0,1|2,0,0]=4 548 B12R1.226 CC(=CCN1CCC=C(C1)F)C m_2230__8251980__681184 [0,0,0,1,0,1|2,0,0]=4 549 B12R1.255 CC(=CCCNC1CCOC1)C m_270004__9277484__8157394 [0,0,0,1,0,1|0,0,2]=4 550 B12R1.255 CC(=CCCSC1CCOC1)C m_62__12121620__10903820 [0,0,0,1,0,1|0,0,2]=4 551 B12R1.255 CC(=CCNCC1=COC=C1)C m_207__9277650__2989444 [0,0,0,1,0,1|0,0,2]=4 552 B12R1.255 CC(=CCNCC1=CON=C1)C m_270004__9277694__24721452 [0,0,0,1,0,1|1,0,1]=4 553 B12R1.255 CC(=CCNCC1=NOC=C1)C m_207__9277650__12873822 [0,0,0,1,0,1|1,0,1]=4 554 B12R1.255 CC(=CCSCC1=CCCC1)C m_62__12201838__11572528 [0,0,0,1,0,1|1,0,0]=3 555 B12R1.255 CC(=CCSCC1=CCCC1)Cl m_7__22988114__12215356 [0,0,0,1,0,1|2,0,0]=4 556 B12R1.255 CC(=CCSCC1=NOC=C1)C m_62__12201838__10302582 [0,0,0,1,0,1|1,0,1]=4 557 B12R1.255 CC(=CCSCC1CCOC1)C m_62__12201838__8794298 [0,0,0,1,0,1|0,0,2]=4 558 B12R1.310 CC(=CCO)CCCSC1CC1 m_7__22987858__22787184 [0,0,0,1,0,1|0,0,2]=4 559 B12R1.310 CC(=CCO)CSCCC1CC1 m_7__18798568__20765532 [0,0,0,1,0,1|0,0,2]=4 560 B12R1.66 CC(=CC1=NC(=C(O1)CO)C)C m_271570__13019924__23830572 [0,1,0,1,0,0|1,0,1]=4 561 B12R1.66 CC(=CC1=NC(=C(S1)C)CO)C m_271570__13019924__24877714 [0,1,0,1,0,0|1,0,1]=4 562 B12R1.66 CC(=CC1=NC(=C(S1)CO)C)C m_271570__13019924__13419824 [0,1,0,1,0,0|1,0,1]=4 563 B12R1.105 CC(=CCCN1CC[C@@H](C1)O)C m_2230__3351214__12121626 [0,1,0,1,0,0|1,0,1]=4 564 B12R1.1810 CC(=CCCN1CC(C1)(C)O)C m_2230__7555612__12121626 [0,1,0,1,0,0|1,0,1]=4 565 B12R1.252 CC(=CCCN1CCCC=N1)C m_2230__22595168__12121626 [0,1,0,1,0,0|2,0,0]=4 566 B12R1.252 CC(=CCCN1CCOCC1)C m_2230__665308__12121626 [0,1,0,1,0,0|1,0,1]=4 567 B12R1.252 CC(=O)NCCC1=CCOCC1 m_270062__16423572__15585492 [0,1,0,1,0,0|2,0,0]=4 568 B12R1.252 CC(C)NCCC1=CCOCC1 m_269862__8259822__7204804 [0,1,0,1,0,0|1,0,1]=4 569 B12R1.444 CC(=CCCN1CCC1CO)C m_2230__13428546__12121626 [0,1,0,1,0,0|1,0,1]=4 570 B12R1.686 CC(=CCO)COC(=O)C1CC1 m_1458__473538__20765534 [0,1,0,1,0,0|1,0,1]=4 571 B12R1.33 C=C(CO)C(=O)N1CC=C(C1)C m_22__18687220__9436058 [0,1,0,1,0,0|2,0,0]=4 572 B12R1.1357 CC(=CCCN(C)C1COC1)C m_2230__13570148__12121626 [0,1,0,1,0,0|1,0,1]=4 573 B12R1.29 CC1=CCN(C1)C(=O)C=CCO m_22__18687220__13570734 [0,1,0,1,0,0|2,0,0]=4 574 B12R1.65 CC(=CC1=C(N=C(S1)C)CO)C m_271570__13019924__16978072 [0,1,0,1,0,0|1,0,1]=4 575 B8R0.9 C=C(C)CCC(=NO)C m_4__388124__14034296 [1,0,0,0,1,0|1,0,1]=4 576 B8R0.9 CC(=NO)CCC(C)C m_4__388124__66793 [1,0,0,0,1,0|1,0,1]=4 577 B8R0.9 CC(=NO)CCN(C)C m_4__388124__8850540 [1,0,0,0,1,0|2,0,0]=4 578 B8R0.9 CC=C(C)C=CC(C)C m_271570__17312298__16886636 [1,0,0,0,1,0|0,0,2]=4 579 B8R0.9 CC=C(C)CNC(C)C m_270004__23845338__16464078 [1,0,0,0,1,0|1,0,1]=4 580 B8R0.9 CC=C(C)COC(=O)C m_276436__14085050__14088324 [1,0,0,0,1,0|2,0,0]=4 581 B8R0.9 CNC(=O)CC=C(C)C m_22__387492__21288532 [1,0,0,0,1,0|2,0,0]=4 582 B8R0.9 CON(C)CC=C(C)C m_2230__679026__681184 [1,0,0,0,1,0|2,0,0]=4 583 B12R0.277 CC(=CCCCNC(C)CCO)C m_270004__8296818__16886698 [0,0,0,0,0,2|0,0,2]=4 584 B12R0.277 CC(=CCCCN[C@@H](C)CCO)C m_270004__13469994__16886698 [0,0,0,0,0,2|0,0,2]=4 585 B12R0.277 CC(=CCCON=C(N)CCO)C m_34__8845210__12121618 [0,0,0,0,0,2|1,0,1]=4 586 B12R0.277 CC(=CCO)CCCSCC(C)C m_7__27301__22787184 [0,0,0,0,0,2|0,0,2]=4 587 B12R0.277 CC(=CCO)CSCCCC(C)C m_7__8333108__20765532 [0,0,0,0,0,2|0,0,2]=4 588 B12R0.277 CC(=CCO)CSCCCN(C)C m_7__15765946__20765532 [0,0,0,0,0,2|1,0,1]=4 589 B12R0.277 CC(=CCO)CSCCOC(C)C m_7__22987390__20765532 [0,0,0,0,0,2|0,0,2]=4 590 B12R0.277 CC(=O)NCCSCC(=CCO)C m_7__17756534__20765532 [0,0,0,0,0,2|1,0,1]=4 591 B12R0.277 CCCC(=NOCCC=C(C)C)C m_34__15258682__12121618 [0,0,0,0,0,2|1,0,1]=4