0 B5R0.3 C#C[C@H](C)OC SY282343 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.3 C=C(OC)OC SY274566 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C=CC(=O)NC SY057550 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.3 C=CC(C)ON SY039116 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C=CC(O)CO SY275096 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 C=C[C@@H](N)CO SY211186 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 C=C[C@H](N)CO SY101322 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CC(=CI)CI SY271392 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 CNC(=N)NC SY270827 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 CNC(=O)CBr SY106596 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CNC(=O)CCl SY003250 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 CNC(=O)CN SY024913 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 CNC(=O)CN SY066423 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CNC(=O)NC SY004507 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 COC(=O)CN SY001589 [0,0,0,0,0,0|1,0,1]=2 15 B5R0.3 COC(=O)CO SY003097 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.3 COC(C)CBr SY298794 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 CO[C@@H](C)CN SY114788 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.3 CSC(=N)NN SY023604 [0,0,0,0,0,0|3,1,0]=4 19 B5R0.3 C\C(=C/I)CO SY270524 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.3 C\C(=C\I)CI SY248780 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.3 NNC(=O)CO SY059283 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 O=C(CO)CO SY038299 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 C#CC(N)=O SY060790 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C=C(Br)CN SY122662 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C=C(Br)CN SY264242 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 C=C(Br)CO SY043202 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 C=C(C)CN SY018445 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C=C[C@H](C)N SY245785 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CC(=N)NN SY188423 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 CC(=O)CN SY018511 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 CCC(=N)N SY018521 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 CCC(N)=O SY048276 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CCS(=O)[O-] SY005659 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 CNC(N)=O SY018863 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 COC(=N)N SY021749 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 COC(=N)N SY023512 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CSC(=N)N SY001378 [1,0,0,0,0,0|2,1,0]=4 38 B4R0.1 C\C(Cl)=N\O SY307714 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 C\C(N)=N\O SY011082 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 NCC(N)=O SY003860 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 NCC(N)=O SY104505 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 O=C([O-])CI SY066613 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 C=CCCN SY036713 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 C=CCNN SY076022 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 C=CCON SY029026 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.2 CC=CC[Pd+2] SY070788 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 CCOC=N SY041120 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.2 COCC#N SY003878 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 COCCI SY248715 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.1 C=CC(O)CCC SY048915 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.1 C=CCC(=O)OC SY025883 [0,1,0,0,0,0|0,0,0]=1 52 B6R0.1 CC#CC(=O)OC SY012646 [0,1,0,0,0,0|0,0,2]=3 53 B6R0.1 CCC(=O)CC#N SY004535 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.1 CCC(=O)COC SY190908 [0,1,0,0,0,0|0,0,2]=3 55 B6R0.1 CCCC(=O)NN SY060413 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CCNC(=O)CCl SY024489 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 CCOC(=N)CCl SY026914 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCOC(=O)CN SY002226 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.1 CCOC(=O)CO SY002762 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.1 CCOC(=S)SC SY261921 [0,1,0,0,0,0|1,1,1]=4 61 B6R0.1 CNC(=O)CC#N SY032593 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.1 CNC(=O)CCO SY083761 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.1 COC(=N)CC#N SY257805 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.1 COC(=O)C#CBr SY039726 [0,1,0,0,0,0|0,0,2]=3 65 B6R0.1 COC(=O)C=CI SY264761 [0,1,0,0,0,0|0,0,0]=1 66 B6R0.1 COC(=O)CCBr SY002337 [0,1,0,0,0,0|0,0,2]=3 67 B6R0.1 COC(=O)CCN SY004831 [0,1,0,0,0,0|0,0,2]=3 68 B6R0.1 COC(=O)CCO SY008913 [0,1,0,0,0,0|0,0,2]=3 69 B6R0.1 COC(=O)OCCl SY047554 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.1 COC(=O)\C=C/I SY257888 [0,1,0,0,0,0|0,0,0]=1 71 B6R0.1 COCC(=O)NN SY109583 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.1 O=C(CCCl)NO SY159080 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.3 C=C(F)C(=O)OC SY044794 [0,1,0,0,0,0|0,0,0]=1 74 B6R0.3 C=CC(=O)C(=O)O SY253275 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 CC(C)C(=O)CN SY186390 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CC(C)C(=O)NN SY041947 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.3 CCC(=O)C(=O)O SY011034 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.3 CCC(=O)N(C)C SY036870 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.3 CN(C)C(=O)CBr SY031848 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 CN(C)C(=O)CCl SY004159 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 CN(C)C(=O)CN SY109935 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 COC(=N)C(C)C SY274570 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.3 COC(=O)C(=N)N SY123997 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.3 COC(=O)C(Br)Br SY264751 [0,1,0,0,0,0|1,0,1]=3 86 B6R0.3 COC(=O)C(C)N SY008132 [0,1,0,0,0,0|0,0,2]=3 87 B6R0.3 COC(=O)[C@@H](C)N SY008138 [0,1,0,0,0,0|0,0,2]=3 88 B6R0.3 COC(=O)[C@H](C)N SY005420 [0,1,0,0,0,0|0,0,2]=3 89 B6R0.3 COC(C)C(=O)O SY034306 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 CON(C)C(C)=O SY004033 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 C\C=C(\C)C(=O)O SY053021 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.8 COP(=O)([O-])OC SY285858 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.9 C\C=C(\C=O)CC SY265075 [0,1,0,0,0,0|1,0,1]=3 95 B6R1.2 BrC1=NNC=C1 SY004896 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.2 BrC1=NOC=C1 SY009266 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.2 BrC1=NSC=C1 SY039106 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.2 CC1=CC=CN1 SY004787 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 CC1=CC=NO1 SY038700 [0,0,0,1,0,0|2,0,0]=3 100 B6R1.2 CC1=CNC=C1 SY014135 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.2 ClC1=NNC=C1 SY032847 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 FC1=NNC=C1 SY072990 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.2 IC1=CC=CS1 SY001504 [0,0,0,1,0,0|1,1,1]=4 104 B6R1.2 IC1=CNC=C1 SY288841 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.2 IC1=CSC=C1 SY030129 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.2 IC1=NC=CO1 SY098116 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 IC1=NNC=C1 SY026658 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.2 NC1=COC=C1 SY237155 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.2 NC1=CSC=C1 SY003022 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.2 NC1=CSC=C1 SY098699 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.2 NC1=NC=CO1 SY004397 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.2 NC1=NOC=C1 SY007959 [0,0,0,1,0,0|3,0,0]=4 113 B6R1.2 O=C1C=CCN1 SY032773 [0,0,0,1,0,0|1,0,0]=2 114 B6R1.2 O=C1C=CCO1 SY017893 [0,0,0,1,0,0|0,0,0]=1 115 B6R1.2 O=C1C=CNN1 SY022755 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.2 O=C1C=CSN1 SY045488 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.2 O=C1CC=NN1 SY211686 [0,0,0,1,0,0|2,0,1]=4 118 B6R1.2 O=C1CCNC1 SY019727 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 O=C1CCNN1 SY073624 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 O=C1CCOC1 SY003100 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.2 O=C1N=CNN1 SY014481 [0,0,0,1,0,0|3,0,0]=4 122 B6R1.2 O=C1NC=CN1 SY006094 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 O=C1NCCO1 SY003480 [0,0,0,1,0,0|1,0,1]=3 124 B6R1.2 O=C1NCCS1 SY037960 [0,0,0,1,0,0|1,1,1]=4 125 B6R1.2 O=C1OC=CO1 SY001314 [0,0,0,1,0,0|1,0,1]=3 126 B6R1.2 O=S1OCCO1 SY036937 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 OC1=CC=CS1 SY248518 [0,0,0,1,0,0|0,1,2]=4 128 B6R1.2 OC1=NOC=C1 SY197715 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.4 O=C1CCC1Br SY234041 [0,0,0,1,0,0|2,0,1]=4 130 B3R0.1 CNOC SY001763 [2,0,0,0,0,0|1,0,1]=4 131 B3R0.1 COCBr SY029084 [2,0,0,0,0,0|1,0,1]=4 132 B3R0.1 N\C=N\O SY086195 [2,0,0,0,0,0|2,0,0]=4 133 B3R0.2 CC(=O)O SY001386 [2,0,0,0,0,0|0,0,1]=3 134 B3R0.2 CC(=O)O SY004125 [2,0,0,0,0,0|0,0,1]=3 135 B3R0.2 CC(=O)[O-] SY001322 [2,0,0,0,0,0|1,0,0]=3 136 B3R0.2 CC(=O)[O-] SY010327 [2,0,0,0,0,0|1,0,0]=3 137 B3R0.2 CC(=O)[O-] SY011498 [2,0,0,0,0,0|1,0,0]=3 138 B3R0.2 CC(=O)[O-] SY011745 [2,0,0,0,0,0|1,0,0]=3 139 B3R0.2 CC(=O)[O-] SY011809 [2,0,0,0,0,0|1,0,0]=3 140 B3R0.2 CC(=O)[O-] SY011846 [2,0,0,0,0,0|1,0,0]=3 141 B3R0.2 CC(=O)[O-] SY013501 [2,0,0,0,0,0|1,0,0]=3 142 B3R0.2 CC(=O)[O-] SY027391 [2,0,0,0,0,0|1,0,0]=3 143 B3R0.2 CC(=O)[O-] SY045651 [2,0,0,0,0,0|1,0,0]=3 144 B3R0.2 CC(=O)[O-] SY067119 [2,0,0,0,0,0|1,0,0]=3 145 B3R0.2 CC(=O)[O-] SY256925 [2,0,0,0,0,0|1,0,0]=3 146 B3R0.2 CC(=O)[O-] SY257453 [2,0,0,0,0,0|1,0,0]=3 147 B3R0.2 CS(=O)[O-] SY002584 [2,0,0,0,0,0|2,0,0]=4 148 B3R0.2 O=C([O-])[O-] SY001250 [2,0,0,0,0,0|1,0,1]=4 149 B3R0.2 O=C([O-])[O-] SY009169 [2,0,0,0,0,0|1,0,1]=4 150 B3R0.2 O=C([O-])[O-] SY011697 [2,0,0,0,0,0|1,0,1]=4 151 B3R0.2 O=C([O-])[O-] SY011713 [2,0,0,0,0,0|1,0,1]=4 152 B3R0.2 O=C([O-])[O-] SY011779 [2,0,0,0,0,0|1,0,1]=4 153 B3R0.2 O=C([O-])[O-] SY011799 [2,0,0,0,0,0|1,0,1]=4 154 B3R0.2 O=C([O-])[O-] SY011844 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.2 O=C([O-])[O-] SY066643 [2,0,0,0,0,0|1,0,1]=4 156 B3R0.2 O=C([O-])[O-] SY076666 [2,0,0,0,0,0|1,0,1]=4 157 B3R0.2 O=C([O-])[O-] SY274515 [2,0,0,0,0,0|1,0,1]=4 158 B3R0.2 O=C([O-])[O-] SY288394 [2,0,0,0,0,0|1,0,1]=4 159 B3R0.2 P(C)(C)=O SY009874 [2,0,0,0,0,0|1,0,1]=4 160 B3R0.2 P(C)(C)=O SY237149 [2,0,0,0,0,0|1,0,1]=4 161 B5R0.1 C#CCC(=O)O SY040154 [1,1,0,0,0,0|0,0,2]=4 162 B5R0.1 C=CNC(N)=O SY159600 [1,1,0,0,0,0|1,0,0]=3 163 B5R0.1 CC#CC(C)=O SY262884 [1,1,0,0,0,0|0,0,2]=4 164 B5R0.1 CC(=O)CCN SY263173 [1,1,0,0,0,0|0,0,2]=4 165 B5R0.1 CC(=O)CCO SY002849 [1,1,0,0,0,0|0,0,2]=4 166 B5R0.1 CC(=O)NCO SY047960 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 CC(=O)OCBr SY051438 [1,1,0,0,0,0|0,0,1]=3 168 B5R0.1 CC(=O)\C=N/O SY112549 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.1 CC(I)=CCI SY237855 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.1 CCNC(C)=O SY016499 [1,1,0,0,0,0|0,0,2]=4 171 B5R0.1 CNCC(=O)O SY001630 [1,1,0,0,0,0|0,0,2]=4 172 B5R0.1 CNCC(N)=O SY059741 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.1 COCC(=N)N SY019943 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.1 CSCC(N)=O SY040648 [1,1,0,0,0,0|1,1,0]=4 175 B5R0.1 C\C(I)=C/CI SY237856 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.1 C\C(I)=C\CI SY237854 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.1 C\C(I)=C\CO SY246995 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.1 C\C(I)=C\CO SY252919 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.1 C\C=C\B(O)O SY027001 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.1 NC(=O)CCBr SY014886 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.1 NCCC(N)=O SY024863 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.1 NCCC(N)=O SY101590 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.1 O=C(O)CCF SY008508 [1,1,0,0,0,0|0,0,2]=4 184 B5R0.1 O=C(O)CCO SY003982 [1,1,0,0,0,0|0,0,2]=4 185 B5R0.1 O=C(O)\C=C\Br SY026854 [1,1,0,0,0,0|0,0,0]=2 186 B5R0.4 C=CS(=O)(=O)Cl SY030716 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.5 C=C(C)C(C)O SY145959 [1,1,0,0,0,0|0,0,2]=4 188 B5R0.5 C=C(C)C(N)=O SY010261 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.5 C=C(F)C(=O)Cl SY039966 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.5 C=C(F)C(=O)O SY021247 [1,1,0,0,0,0|0,0,0]=2 191 B5R0.5 CC(=O)C(F)F SY013768 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.5 CC(Br)C(N)=O SY106825 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.5 CC(C)C(N)=O SY015332 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.5 CC(N)C(=O)O SY005245 [1,1,0,0,0,0|0,0,2]=4 195 B5R0.5 CC(N)C(N)=O SY012823 [1,1,0,0,0,0|2,0,0]=4 196 B5R0.5 CC(N)C(N)=O SY027188 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [1,1,0,0,0,0|0,0,2]=4 198 B5R0.5 C[C@@H](N)C(=O)O SY002277 [1,1,0,0,0,0|0,0,2]=4 199 B5R0.5 C[C@@H](N)C(N)=O SY030965 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.5 C[C@@H](N)C(N)=O SY111070 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.5 C[C@@H](O)C(N)=O SY022608 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [1,1,0,0,0,0|0,0,2]=4 203 B5R0.5 C[C@H](N)C(N)=O SY031439 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.5 O=C(O)C(F)Br SY040308 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.5 O=C(O)C(F)Cl SY275169 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.2 C=CCCCCl SY115227 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.2 C=CCCCN SY039810 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.2 C=CCCON SY201687 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.2 C=CCCON SY281557 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.2 C=CC(=O)NC(C)C SY010883 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.2 CC(C)OC(=O)CO SY022067 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.2 COC(=O)CC(=N)N SY034666 [0,2,0,0,0,0|0,0,1]=3 215 B7R0.2 COC(=O)CC(=O)O SY046546 [0,2,0,0,0,0|0,0,1]=3 216 B7R0.2 COC(=O)CC(=O)[O-] SY031346 [0,2,0,0,0,0|0,0,1]=3 217 B7R0.2 COC(=O)CC(N)=O SY031703 [0,2,0,0,0,0|0,0,1]=3 218 B7R0.2 COC(=O)CC(N)=S SY007662 [0,2,0,0,0,0|0,0,1]=3 219 B7R0.2 COC(=O)C[C@@H](C)N SY024605 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.2 COC(=O)C[C@@H](C)N SY024610 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.2 COC(=O)C[C@@H](C)O SY018984 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.2 COC(=O)C[C@H](C)N SY212047 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.2 COC(=O)C[C@H](C)O SY018985 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.2 COC(=O)C[N+](=O)[O-] SY001008 [0,2,0,0,0,0|1,0,1]=4 225 B7R0.3 C#CCCC(=O)OC SY057491 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.3 C=CC(=O)NCCN SY032050 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.3 C=CC(=O)OCCCl SY226312 [0,2,0,0,0,0|0,0,0]=2 228 B7R0.3 CCC(=O)OCCO SY301488 [0,2,0,0,0,0|0,0,2]=4 229 B7R0.3 CNCCC(=O)OC SY019690 [0,2,0,0,0,0|0,0,2]=4 230 B7R0.3 COC(=O)C=CCBr SY007768 [0,2,0,0,0,0|0,0,0]=2 231 B7R0.3 COC(=O)CCC#N SY012328 [0,2,0,0,0,0|0,0,2]=4 232 B7R0.3 COC(=O)CCCBr SY011922 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.3 COC(=O)CCCI SY110660 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.3 COC(=O)CCCN SY058513 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.3 COC(=O)CCCO SY268958 [0,2,0,0,0,0|0,0,2]=4 236 B7R0.3 COC(=O)\C=C\CBr SY112634 [0,2,0,0,0,0|0,0,0]=2 237 B7R0.3 COC=CC(=O)OC SY012690 [0,2,0,0,0,0|0,0,0]=2 238 B7R0.5 CC(C)C(=O)OCCl SY033791 [0,2,0,0,0,0|0,0,2]=4 239 B7R0.5 CCCC(=O)C(N)=O SY251044 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.5 CCOC(=O)C(=O)O SY257067 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.5 CCOC(=O)C(=O)[O-] SY057863 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.5 CCOC(=O)C(C)N SY004290 [0,2,0,0,0,0|0,0,2]=4 243 B7R0.5 CCOC(=O)C(N)=O SY047037 [0,2,0,0,0,0|1,0,0]=3 244 B7R0.5 CCOC(=O)C(N)=S SY004302 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.5 CCOC(=O)[C@@H](C)N SY021480 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.5 CCOC(=O)[C@@H](C)O SY030456 [0,2,0,0,0,0|0,0,2]=4 247 B7R0.7 CC#CC(=O)OCC SY037256 [0,2,0,0,0,0|0,0,2]=4 248 B7R0.7 CCCC(=O)OCCl SY018804 [0,2,0,0,0,0|0,0,2]=4 249 B7R0.7 CCOC(=O)C#CBr SY108326 [0,2,0,0,0,0|0,0,2]=4 250 B7R0.7 CCOC(=O)CCBr SY001430 [0,2,0,0,0,0|0,0,2]=4 251 B7R0.7 CCOC(=O)CCI SY031505 [0,2,0,0,0,0|0,0,2]=4 252 B7R0.7 CCOC(=O)CCN SY001761 [0,2,0,0,0,0|0,0,2]=4 253 B7R0.7 CCOC(=O)CCO SY008914 [0,2,0,0,0,0|0,0,2]=4 254 B7R0.7 CCOC(=O)CNC SY007981 [0,2,0,0,0,0|0,0,2]=4 255 B7R0.7 CCOC(=O)CNN SY021491 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.7 CCOC(=O)OCCl SY114398 [0,2,0,0,0,0|0,0,2]=4 257 B7R0.7 CCOC(=O)\C=C\O SY272545 [0,2,0,0,0,0|0,0,0]=2 258 B7R0.7 COCC(=O)COC SY110586 [0,2,0,0,0,0|0,0,2]=4 259 B7R0.10 C=C(CBr)C(=O)OC SY009735 [0,2,0,0,0,0|0,0,0]=2 260 B7R0.10 CCC(=O)N(C)OC SY104588 [0,2,0,0,0,0|0,0,2]=4 261 B7R0.10 CC[C@@H](N)C(=O)OC SY026012 [0,2,0,0,0,0|0,0,2]=4 262 B7R0.10 CC[C@H](N)C(=O)OC SY096587 [0,2,0,0,0,0|0,0,2]=4 263 B7R0.10 COC(=O)C(Br)CO SY246714 [0,2,0,0,0,0|0,0,2]=4 264 B7R0.10 COC(=O)C(C)C=O SY238219 [0,2,0,0,0,0|0,0,1]=3 265 B7R0.10 COC(=O)C(N)CO SY005975 [0,2,0,0,0,0|0,0,2]=4 266 B7R0.10 COC(=O)C(O)CN SY029941 [0,2,0,0,0,0|0,0,2]=4 267 B7R0.10 COC(=O)C(O)CO SY265586 [0,2,0,0,0,0|0,0,2]=4 268 B7R0.10 COC(=O)[C@@H](Br)CO SY246715 [0,2,0,0,0,0|0,0,2]=4 269 B7R0.10 COC(=O)[C@@H](C)CO SY016750 [0,2,0,0,0,0|0,0,2]=4 270 B7R0.10 COC(=O)[C@@H](F)CN SY277955 [0,2,0,0,0,0|0,0,2]=4 271 B7R0.10 COC(=O)[C@@H](N)CO SY005340 [0,2,0,0,0,0|0,0,2]=4 272 B7R0.10 COC(=O)[C@@H](N)CS SY021999 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.10 COC(=O)[C@@H](O)CO SY017442 [0,2,0,0,0,0|0,0,2]=4 274 B7R0.10 COC(=O)[C@H](C)CBr SY059958 [0,2,0,0,0,0|0,0,2]=4 275 B7R0.10 COC(=O)[C@H](C)CO SY031653 [0,2,0,0,0,0|0,0,2]=4 276 B7R0.10 COC(=O)[C@H](N)CO SY008009 [0,2,0,0,0,0|0,0,2]=4 277 B7R0.10 COC(=O)[C@H](N)CS SY076955 [0,2,0,0,0,0|0,0,2]=4 278 B7R0.10 COC(=O)[C@H](O)CO SY116554 [0,2,0,0,0,0|0,0,2]=4 279 B7R0.10 CON(C)C(=O)CCl SY002384 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.10 [C-]#[N+]C(C)C(=O)OC SY204645 [0,2,0,0,0,0|0,0,2]=4 281 B7R0.12 COC(=CC#N)OC SY257807 [0,2,0,0,0,0|0,0,2]=4 282 B7R0.14 COC(=O)C(C)(C)N SY010048 [0,2,0,0,0,0|0,0,2]=4 283 B7R0.14 COC(=O)C(C)(C)N SY031383 [0,2,0,0,0,0|0,0,2]=4 284 B7R0.16 C=C(C)C(=O)N(C)C SY055902 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.16 CC(C)C(=O)C(=O)O SY005235 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.16 CN(C)C(=O)C(=O)O SY050473 [0,2,0,0,0,0|2,0,0]=4 287 B5R1.2 O=C1CNC1 SY027144 [1,0,0,1,0,0|1,0,1]=4 288 B5R1.2 O=C1COC1 SY003915 [1,0,0,1,0,0|1,0,1]=4 289 B5R1.1 C1=CCC=C1 SY010219 [1,0,0,1,0,0|1,0,0]=3 290 B5R1.1 C1=CCNC1 SY012047 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.1 C#CC1=CC=CO1 SY253025 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.1 CCC1=CC=CS1 SY048489 [0,1,0,1,0,0|1,1,0]=4 293 B7R1.1 CCC1=CNC=N1 SY055411 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.1 CCC1=CSC=C1 SY036406 [0,1,0,1,0,0|1,1,0]=4 295 B7R1.1 CNC1=NC=CS1 SY104581 [0,1,0,1,0,0|1,1,0]=4 296 B7R1.1 COC1=CNN=C1 SY100279 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.1 COC1=NNC=C1 SY147600 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.1 CSC1=NC=CN1 SY025774 [0,1,0,1,0,0|1,1,0]=4 299 B7R1.1 N#CC1=CC=CO1 SY048410 [0,1,0,1,0,0|1,0,1]=4 300 B7R1.1 NCC1=CC=NO1 SY021529 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.1 O=CC1=CC=CN1 SY001497 [0,1,0,1,0,0|1,0,1]=4 302 B7R1.1 O=CC1=CN=CO1 SY025934 [0,1,0,1,0,0|1,0,1]=4 303 B7R1.1 O=CC1=CNC=C1 SY010726 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.1 O=CC1=COC=C1 SY013826 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.1 OCC1=CC=NO1 SY179337 [0,1,0,1,0,0|1,0,1]=4 306 B7R1.2 BrC1=CC=C(Br)O1 SY047378 [0,1,0,1,0,0|1,0,1]=4 307 B7R1.2 CC1=CC(Br)=NO1 SY037249 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.2 CC1=CC(N)=NO1 SY001097 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.2 CC1=CC=C(Br)S1 SY002012 [0,1,0,1,0,0|1,1,0]=4 310 B7R1.2 CC1=CC=C(C)S1 SY018010 [0,1,0,1,0,0|1,1,0]=4 311 B7R1.2 CC1=CC=C(I)S1 SY016776 [0,1,0,1,0,0|1,1,0]=4 312 B7R1.2 CC1=CN=C(C)O1 SY040818 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.2 CC1=CN=C(I)O1 SY294256 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.2 CC1=NN(C)C=C1 SY017661 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.2 CC1=NNC(=O)O1 SY017602 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.2 CC1=NOC(N)=C1 SY048418 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.2 CC1=NOC(O)=C1 SY040816 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.2 CC1CCC(=O)O1 SY011304 [0,1,0,1,0,0|0,0,2]=4 319 B7R1.2 CC1COC(=O)N1 SY037847 [0,1,0,1,0,0|0,0,2]=4 320 B7R1.2 CN1C=CC(=O)N1 SY047877 [0,1,0,1,0,0|1,0,0]=3 321 B7R1.2 CN1C=CC(Br)=N1 SY007834 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.2 CN1C=CC(I)=N1 SY041223 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.2 CN1C=CC(N)=N1 SY003249 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [0,1,0,1,0,0|0,0,2]=4 325 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [0,1,0,1,0,0|0,0,2]=4 326 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [0,1,0,1,0,0|0,0,2]=4 327 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [0,1,0,1,0,0|0,0,2]=4 328 B7R1.2 FC1=CC=C(Br)O1 SY301649 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,1,0,1,0,0|0,0,2]=4 330 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,1,0,1,0,0|0,0,2]=4 331 B7R1.2 O=C1CCC(=O)C1 SY003377 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.2 O=C1COC(=O)C1 SY048546 [0,1,0,1,0,0|0,0,1]=3 333 B7R1.2 O=C1CSC(=O)N1 SY001546 [0,1,0,1,0,0|1,1,0]=4 334 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,1,0,1,0,0|0,0,2]=4 335 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,1,0,1,0,0|0,0,2]=4 336 B7R1.2 O=C1OCC(F)O1 SY017141 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.3 CC1=CC=CCC1 SY292105 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.3 CC1=CCCC=C1 SY292104 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.3 O=C1C=CC=NN1 SY020182 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.3 O=C1C=CCCN1 SY259179 [0,1,0,1,0,0|1,0,0]=3 341 B7R1.3 O=C1C=CN=CN1 SY002707 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.3 O=C1CC=CCN1 SY270920 [0,1,0,1,0,0|1,0,0]=3 343 B7R1.3 O=C1CCCCO1 SY018264 [0,1,0,1,0,0|0,0,2]=4 344 B7R1.3 O=C1CCCOC1 SY003102 [0,1,0,1,0,0|0,0,2]=4 345 B7R1.3 O=C1CNCCO1 SY047308 [0,1,0,1,0,0|0,0,2]=4 346 B7R1.3 O=C1COCCN1 SY003974 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.3 O=C1COCCO1 SY055447 [0,1,0,1,0,0|0,0,2]=4 348 B7R1.3 O=C1NCCCO1 SY005699 [0,1,0,1,0,0|0,0,2]=4 349 B7R1.4 C=C1CCOC1=O SY013907 [0,1,0,1,0,0|0,0,0]=2 350 B7R1.4 CC1=C(C)NC=C1 SY284153 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.4 CC1=C(I)C=NO1 SY038698 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.4 CC1=C(N)ON=C1 SY193496 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.4 CC1=CC=NN1C SY032670 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.4 CC1=CCNC1=O SY295114 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.4 CC1=COC=C1Br SY298744 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.4 CC1=CSC=C1Br SY009333 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.4 CC1=CSC=C1C SY100626 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.4 CC1CCOC1=O SY051660 [0,1,0,1,0,0|0,0,2]=4 359 B7R1.4 CN1C=CN=C1Br SY013969 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.4 CN1C=CN=C1Cl SY019835 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.4 CN1C=CN=C1N SY010735 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.4 CN1C=NC=C1Br SY016736 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.4 CN1C=NC=C1Cl SY041529 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.4 CN1N=CC=C1Br SY043010 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.4 CN1N=CC=C1I SY037964 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.4 CN1N=CC=C1N SY003710 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.4 CN1N=CC=C1O SY047635 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.4 NC1CCOC1=O SY111957 [0,1,0,1,0,0|0,0,2]=4 369 B7R1.4 NN1CCOC1=O SY038618 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.4 N[C@@H]1CCOC1=O SY017502 [0,1,0,1,0,0|0,0,2]=4 371 B7R1.4 N[C@@H]1CONC1=O SY005636 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.4 N[C@H]1CCOC1=O SY027501 [0,1,0,1,0,0|0,0,2]=4 373 B7R1.4 N[C@H]1CCOC1=O SY030497 [0,1,0,1,0,0|0,0,2]=4 374 B7R1.4 O=C1CCCC1=O SY057516 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.4 O=C1OCC=C1Br SY017900 [0,1,0,1,0,0|0,0,0]=2 376 B7R1.4 O=C1OCCC1Br SY001762 [0,1,0,1,0,0|0,0,2]=4 377 B7R1.4 O=C1OCCC1O SY052569 [0,1,0,1,0,0|0,0,2]=4 378 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,1,0,1,0,0|0,0,2]=4 379 B7R1.22 C=C[C@H](O)[C@H]1CO1 SY268637 [0,1,0,1,0,0|0,0,2]=4 380 B7R1.22 COC(=O)C1CO1 SY103832 [0,1,0,1,0,0|0,0,2]=4 381 B7R1.22 COC(=O)[C@@H]1CO1 SY029486 [0,1,0,1,0,0|0,0,2]=4 382 B7R1.22 COC(=O)[C@H]1CO1 SY029485 [0,1,0,1,0,0|0,0,2]=4 383 B7R1.14 O=S1(=O)C=CCO1 SY029588 [0,1,0,1,0,0|1,0,0]=3