0 B5R0.1 C#CCC(=O)O SY040154 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=CNC(N)=O SY159600 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CC#CC(C)=O SY262884 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC(=O)CCN SY263173 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(=O)CCO SY002849 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(=O)NCO SY047960 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(=O)OCBr SY051438 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 CC(=O)\C=N/O SY112549 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CC(I)=CCI SY237855 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CCNC(C)=O SY016499 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.1 CN(C)CC=O SY114927 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CNCC(=O)O SY001630 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CNCC(N)=O SY059741 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CSCC(N)=O SY040648 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CSCS(C)=O SY049552 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C\C(I)=C/CI SY237856 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 C\C(I)=C\CI SY237854 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C\C(I)=C\CO SY246995 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C\C(I)=C\CO SY252919 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 NC(=O)CCBr SY014886 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 NCCC(N)=O SY024863 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 NCCC(N)=O SY101590 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 O=C(O)CCF SY008508 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 O=C(O)CCO SY003982 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 O=C(O)\C=C\Br SY026854 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 C#CC(N)=O SY060790 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C=C(C)CN SY018445 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C=C[C@H](C)N SY245785 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CC(=N)NN SY188423 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CC(=O)CN SY018511 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CC(C)ON SY019006 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CCC(N)=O SY048276 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 CNC(N)=O SY018863 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 COC(=N)N SY021749 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 COC(=N)N SY023512 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C\C(Cl)=N\O SY307714 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 C\C(N)=N\O SY011082 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 NCC(N)=O SY003860 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 NCC(N)=O SY104505 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 O=C([O-])CI SY066613 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 C=CCCN SY036713 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 C=CCNN SY076022 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.2 C=CCON SY029026 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.2 CC=CC[Pd+2] SY070788 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 CCOC=N SY041120 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.2 O=[Ho]O[Ho]=O SY010030 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.2 O=[In]O[In]=O SY061096 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.2 O=[Sc]O[Sc]=O SY003090 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.1 C=CCC(=O)OC SY025883 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.1 C=CC[C@H](C)C=O SY018347 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.1 CC#CC(=O)OC SY012646 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.1 CCC(=O)CC#N SY004535 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 CCC(=O)COC SY190908 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.1 CCNC(=O)CCl SY024489 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.1 CCOC(=N)CCl SY026914 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CCOC(=O)CN SY002226 [0,1,0,0,0,0|0,0,2]=3 56 B6R0.1 CCOC(=O)CO SY002762 [0,1,0,0,0,0|0,0,2]=3 57 B6R0.1 CCOC(=S)SC SY261921 [0,1,0,0,0,0|0,1,2]=4 58 B6R0.1 CNC(=O)CC#N SY032593 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CNC(=O)CCO SY083761 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.1 COC(=O)C#CBr SY039726 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 COC(=O)C=CI SY264761 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.1 COC(=O)CCBr SY002337 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 COC(=O)CCN SY004831 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 COC(=O)CCO SY008913 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 COC(=O)OCCl SY047554 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.1 COC(=O)\C=C/I SY257888 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.2 CC(=O)C[N+](=O)[O-] SY285532 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.2 CC(=O)NC(C)C SY107538 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.2 CC(=O)OC(C)Br SY067153 [0,1,0,0,0,0|0,0,2]=3 70 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.2 N=C(N)CC(N)=O SY109396 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.2 NC(=O)CC(N)=O SY018470 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.2 O=C(O)CC(=O)O SY001875 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.3 C=CC(=O)C(=O)O SY253275 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.3 CON(C)C(C)=O SY004033 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 C\C=C(\C)C(=O)O SY053021 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 C=CCC[C@H](C)O SY307699 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.4 C=CCC[N+](=O)[O-] SY266513 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.4 CC(=O)CCCO SY002852 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.4 CC(=O)NCCN SY313725 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.4 CC(C)OCC=O SY269035 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.4 CCCOC(N)=O SY114484 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.4 CO\C=C\C(C)=O SY029615 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.4 N#CC=CC(=O)O SY249647 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.4 N#C\C=C/C(=O)O SY252923 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.4 O=C(Cl)\C=C\CBr SY263119 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.4 O=C(O)\C=C\CBr SY028405 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.4 O=C(O)\C=C\CO SY032954 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.4 O=CNCC(=O)O SY052094 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.5 C=CCC(C)(C)N SY264947 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.5 C=CCS(=O)(=O)Cl SY045333 [0,1,0,0,0,0|3,0,0]=4 99 B6R1.2 BrC1=NC=CN1 SY021648 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.2 BrC1=NC=CS1 SY001649 [0,0,0,1,0,0|2,1,0]=4 101 B6R1.2 CC1=CC=CN1 SY004787 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.2 CC1=CC=NO1 SY038700 [0,0,0,1,0,0|2,0,0]=3 103 B6R1.2 CC1=CNC=C1 SY014135 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.2 CC1=COC=N1 SY046619 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.2 CC1=CSC=N1 SY004152 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.2 CC1=NC=CS1 SY009541 [0,0,0,1,0,0|1,1,0]=3 107 B6R1.2 CC1=NNC=N1 SY025686 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.2 IC1=CC=CS1 SY001504 [0,0,0,1,0,0|1,1,1]=4 109 B6R1.2 IC1=NC=CO1 SY098116 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.2 NC1=NC=CN1 SY007805 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.2 NC1=NC=CO1 SY004397 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.2 NC1=NC=CS1 SY001447 [0,0,0,1,0,0|2,1,0]=4 113 B6R1.2 NC1=NC=CS1 SY112313 [0,0,0,1,0,0|2,1,0]=4 114 B6R1.2 NC1=NN=CO1 SY022770 [0,0,0,1,0,0|3,0,0]=4 115 B6R1.2 NC1CC=CC1 SY019807 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.2 O=C1C=CCN1 SY032773 [0,0,0,1,0,0|1,0,2]=4 117 B6R1.2 O=C1C=CCO1 SY017893 [0,0,0,1,0,0|0,0,2]=3 118 B6R1.2 O=C1C=CNN1 SY022755 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 O=C1C=CSN1 SY045488 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 O=C1CC=NN1 SY211686 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.2 O=C1CCNC1 SY019727 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.2 O=C1CCNN1 SY073624 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 O=C1CCOC1 SY003100 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 O=C1N=CNN1 SY014481 [0,0,0,1,0,0|3,0,0]=4 125 B6R1.2 O=C1NC=CN1 SY006094 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.2 O=C1NCCO1 SY003480 [0,0,0,1,0,0|1,0,2]=4 127 B6R1.2 O=C1OC=CO1 SY001314 [0,0,0,1,0,0|1,0,0]=2 128 B6R1.2 OC1=CC=CS1 SY248518 [0,0,0,1,0,0|0,1,2]=4 129 B6R1.2 OC1CC=CC1 SY007884 [0,0,0,1,0,0|1,0,2]=4 130 B6R1.5 NC1CC(=O)C1 SY022838 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.5 O=C1CC(Br)C1 SY029031 [0,0,0,1,0,0|2,0,1]=4 132 B3R0.1 CCON SY009566 [2,0,0,0,0,0|1,0,1]=4 133 B3R0.1 CNOC SY001763 [2,0,0,0,0,0|1,0,1]=4 134 B3R0.1 COCBr SY029084 [2,0,0,0,0,0|1,0,1]=4 135 B3R0.2 CB(O)O SY001105 [2,0,0,0,0,0|1,0,1]=4 136 B3R0.2 CC(=O)O SY001386 [2,0,0,0,0,0|0,0,0]=2 137 B3R0.2 CC(=O)O SY004125 [2,0,0,0,0,0|0,0,0]=2 138 B3R0.2 CC(=O)[O-] SY001322 [2,0,0,0,0,0|0,0,1]=3 139 B3R0.2 CC(=O)[O-] SY010327 [2,0,0,0,0,0|0,0,1]=3 140 B3R0.2 CC(=O)[O-] SY011498 [2,0,0,0,0,0|0,0,1]=3 141 B3R0.2 CC(=O)[O-] SY011745 [2,0,0,0,0,0|0,0,1]=3 142 B3R0.2 CC(=O)[O-] SY011809 [2,0,0,0,0,0|0,0,1]=3 143 B3R0.2 CC(=O)[O-] SY011846 [2,0,0,0,0,0|0,0,1]=3 144 B3R0.2 CC(=O)[O-] SY013501 [2,0,0,0,0,0|0,0,1]=3 145 B3R0.2 CC(=O)[O-] SY027391 [2,0,0,0,0,0|0,0,1]=3 146 B3R0.2 CC(=O)[O-] SY045651 [2,0,0,0,0,0|0,0,1]=3 147 B3R0.2 CC(=O)[O-] SY067119 [2,0,0,0,0,0|0,0,1]=3 148 B3R0.2 CC(=O)[O-] SY256925 [2,0,0,0,0,0|0,0,1]=3 149 B3R0.2 CC(=O)[O-] SY257453 [2,0,0,0,0,0|0,0,1]=3 150 B3R0.2 CS(=O)[O-] SY002584 [2,0,0,0,0,0|1,0,1]=4 151 B3R0.2 O=C([O-])[O-] SY001250 [2,0,0,0,0,0|1,0,1]=4 152 B3R0.2 O=C([O-])[O-] SY009169 [2,0,0,0,0,0|1,0,1]=4 153 B3R0.2 O=C([O-])[O-] SY011697 [2,0,0,0,0,0|1,0,1]=4 154 B3R0.2 O=C([O-])[O-] SY011713 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.2 O=C([O-])[O-] SY011779 [2,0,0,0,0,0|1,0,1]=4 156 B3R0.2 O=C([O-])[O-] SY011799 [2,0,0,0,0,0|1,0,1]=4 157 B3R0.2 O=C([O-])[O-] SY011844 [2,0,0,0,0,0|1,0,1]=4 158 B3R0.2 O=C([O-])[O-] SY066643 [2,0,0,0,0,0|1,0,1]=4 159 B3R0.2 O=C([O-])[O-] SY076666 [2,0,0,0,0,0|1,0,1]=4 160 B3R0.2 O=C([O-])[O-] SY274515 [2,0,0,0,0,0|1,0,1]=4 161 B3R0.2 O=C([O-])[O-] SY288394 [2,0,0,0,0,0|1,0,1]=4 162 B3R0.2 P(C)(C)=O SY009874 [2,0,0,0,0,0|1,0,1]=4 163 B3R0.2 P(C)(C)=O SY237149 [2,0,0,0,0,0|1,0,1]=4 164 B5R0.3 C=C(OC)OC SY274566 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.3 C=CC(=O)NC SY057550 [1,1,0,0,0,0|0,0,0]=2 166 B5R0.3 C=CC(C)ON SY039116 [1,1,0,0,0,0|0,0,2]=4 167 B5R0.3 C=CC(O)CO SY275096 [1,1,0,0,0,0|0,0,2]=4 168 B5R0.3 C=C[C@@H](N)CO SY211186 [1,1,0,0,0,0|1,0,1]=4 169 B5R0.3 C=C[C@H](N)CO SY101322 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.3 CC(=CI)CI SY271392 [1,1,0,0,0,0|2,0,0]=4 171 B5R0.3 CNC(=O)CBr SY106596 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.3 CNC(=O)CCl SY003250 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.3 CNC(=O)CN SY024913 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.3 CNC(=O)CN SY066423 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.3 CNC(=O)NC SY004507 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.3 COC(=O)CN SY001589 [1,1,0,0,0,0|0,0,1]=3 177 B5R0.3 COC(=O)CO SY003097 [1,1,0,0,0,0|0,0,1]=3 178 B5R0.3 C\C(=C/I)CO SY270524 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.3 C\C(=C\I)CI SY248780 [1,1,0,0,0,0|2,0,0]=4 180 B5R0.3 NNC(=O)CO SY059283 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.3 O=C(CO)CO SY038299 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.4 C=CS(=O)(=O)Cl SY030716 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.5 C=C(C)C(C)O SY145959 [1,1,0,0,0,0|0,0,2]=4 184 B5R0.5 C=C(C)C(N)=O SY010261 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.5 C=C(F)C(=O)Cl SY039966 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.5 C=C(F)C(=O)O SY021247 [1,1,0,0,0,0|1,0,0]=3 187 B5R0.5 CC(=O)C(F)F SY013768 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.2 C=CCCCCl SY115227 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.2 C=CCCCN SY039810 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.2 O=CNNC=O SY012914 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.2 CC(C)OC(=O)CO SY022067 [0,2,0,0,0,0|0,0,2]=4 192 B7R0.2 COC(=O)CC(=N)N SY034666 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.2 COC(=O)CC(=O)O SY046546 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.2 COC(=O)CC(=O)[O-] SY031346 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.2 COC(=O)CC(N)=O SY031703 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.2 COC(=O)CC(N)=S SY007662 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.2 O=C(Br)CC(=O)CBr SY287828 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.3 CCC(=O)OCCO SY301488 [0,2,0,0,0,0|0,0,2]=4 199 B7R0.3 COC(=O)C=CCBr SY007768 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.3 COC(=O)\C=C\CBr SY112634 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.3 COC=CC(=O)OC SY012690 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.5 C=CCC(C)C(=O)O SY048335 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.5 C=CCC(N)C(=O)O SY052428 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.5 C=CC[C@@H](N)C(=O)O SY064478 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.5 C=CC[C@H](N)C(=O)O SY008709 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.5 CC(C)C(=O)OCCl SY033791 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.5 CC=CC(C)C(=O)O SY254091 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.5 CCOC(=O)C(C)N SY004290 [0,2,0,0,0,0|0,0,2]=4 209 B7R0.5 CCOC(=O)[C@@H](C)N SY021480 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.5 CCOC(=O)[C@@H](C)O SY030456 [0,2,0,0,0,0|0,0,2]=4 211 B7R0.7 CC#CC(=O)OCC SY037256 [0,2,0,0,0,0|0,0,2]=4 212 B7R0.7 CCCC(=O)OCCl SY018804 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.7 CCOC(=O)CCBr SY001430 [0,2,0,0,0,0|0,0,2]=4 214 B7R0.7 CCOC(=O)CCI SY031505 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.7 CCOC(=O)CCN SY001761 [0,2,0,0,0,0|0,0,2]=4 216 B7R0.7 CCOC(=O)CCO SY008914 [0,2,0,0,0,0|0,0,2]=4 217 B7R0.7 CCOC(=O)CNC SY007981 [0,2,0,0,0,0|0,0,2]=4 218 B7R0.7 CCOC(=O)CNN SY021491 [0,2,0,0,0,0|0,0,2]=4 219 B7R0.7 CCOC(=O)OCCl SY114398 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.7 CCOC(=O)\C=C\O SY272545 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.10 COC(=O)C(C)C=O SY238219 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.16 CC(=O)C(C)C(C)=O SY048147 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.13 C=CC(C)(C)C(=O)O SY056888 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.4 C=CCCCC(=O)O SY050075 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.4 CC(=O)OCCCCl SY106444 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.6 C=C(Br)CNC(C)=O SY264197 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.6 CC(=O)C=CC(C)=O SY233697 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.6 CC(=O)CCC(N)=O SY273013 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.6 CC(=O)NCC(=O)O SY013515 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.6 CC(=O)NNC(N)=S SY109331 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.6 CC(=O)OCC(C)O SY272306 [0,2,0,0,0,0|0,0,2]=4 232 B5R1.2 O=C1CNC1 SY027144 [1,0,0,1,0,0|1,0,1]=4 233 B5R1.2 O=C1COC1 SY003915 [1,0,0,1,0,0|1,0,1]=4 234 B5R1.1 C1=CCC=C1 SY010219 [1,0,0,1,0,0|1,0,0]=3 235 B5R1.1 C1=CCNC1 SY012047 [1,0,0,1,0,0|2,0,0]=4 236 B5R1.1 C1=CNC=N1 SY112845 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.1 BrCC1=NC=CN1 SY024828 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.1 BrCC1=NC=CO1 SY024822 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.1 C#CC1=CC=CO1 SY253025 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.1 CCC1=CC=CS1 SY048489 [0,1,0,1,0,0|1,1,0]=4 241 B7R1.1 CNC1=NC=CS1 SY104581 [0,1,0,1,0,0|1,1,0]=4 242 B7R1.1 CSC1=NC=CN1 SY025774 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.1 ClCC1=CN=CO1 SY232319 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.1 ClCC1=NC=CO1 SY016952 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.1 ClCC1=NC=CS1 SY031528 [0,1,0,1,0,0|1,1,0]=4 246 B7R1.1 N#CC1=CC=CO1 SY048410 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.1 NCC1=CC=CN1 SY032090 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.1 NCC1=CC=NO1 SY021529 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.1 NCC1=NC=CN1 SY025359 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.1 NCC1=NC=CO1 SY026394 [0,1,0,1,0,0|1,0,0]=3 251 B7R1.1 NCC1=NC=CS1 SY005679 [0,1,0,1,0,0|1,1,0]=4 252 B7R1.1 NCC1=NC=CS1 SY005981 [0,1,0,1,0,0|1,1,0]=4 253 B7R1.1 O=CC1=CC=CN1 SY001497 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.1 O=CC1=CN=CO1 SY025934 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.1 O=CC1=NC=CN1 SY014217 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.1 O=CC1=NC=CS1 SY005879 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.1 OCC1=CC=CS1 SY036796 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.1 OCC1=CC=NO1 SY179337 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.1 OCC1=CN=CO1 SY025391 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.1 OCC1=NC=CN1 SY041704 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.1 OCC1=NC=CS1 SY017208 [0,1,0,1,0,0|1,1,0]=4 262 B7R1.2 BrC1=CC=C(Br)O1 SY047378 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.2 CC1=CC(Br)=CS1 SY009269 [0,1,0,1,0,0|1,1,0]=4 264 B7R1.2 CC1=CC(Br)=NO1 SY037249 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.2 CC1=CC(N)=NO1 SY001097 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.2 CC1=CC=C(Br)S1 SY002012 [0,1,0,1,0,0|1,1,0]=4 267 B7R1.2 CC1=CC=C(C)S1 SY018010 [0,1,0,1,0,0|1,1,0]=4 268 B7R1.2 CC1=CC=C(I)S1 SY016776 [0,1,0,1,0,0|1,1,0]=4 269 B7R1.2 CC1=CN=C(C)O1 SY040818 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.2 CC1=CN=C(C)S1 SY030427 [0,1,0,1,0,0|1,1,0]=4 271 B7R1.2 CC1=CN=C(I)O1 SY294256 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.2 CC1=NC(Br)=CN1 SY026643 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.2 CC1=NC(Br)=CS1 SY019472 [0,1,0,1,0,0|1,1,0]=4 274 B7R1.2 CC1=NC(Br)=NO1 SY041226 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.2 CC1=NC(I)=CN1 SY020522 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.2 CC1=NC(N)=CN1 SY265833 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.2 CC1=NC(N)=CS1 SY120664 [0,1,0,1,0,0|1,1,0]=4 278 B7R1.2 CC1=NC(N)=NO1 SY083716 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.2 CC1=NC=C(Br)S1 SY023487 [0,1,0,1,0,0|1,1,0]=4 280 B7R1.2 CC1=NC=C(N)S1 SY011962 [0,1,0,1,0,0|1,1,0]=4 281 B7R1.2 CC1=NN=C(Br)O1 SY022992 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.2 CC1=NN=C(N)O1 SY008409 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.2 CC1=NNC(=O)C1 SY010796 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.2 CC1=NNC(=O)O1 SY017602 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.2 CC1=NOC(N)=C1 SY048418 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.2 CC1=NOC(O)=C1 SY040816 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.2 CC1CCC(=O)O1 SY011304 [0,1,0,1,0,0|0,0,2]=4 288 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [0,1,0,1,0,0|0,0,2]=4 290 B7R1.2 FC1=CC=C(Br)O1 SY301649 [0,1,0,1,0,0|1,0,1]=4 291 B7R1.2 NC1=NC(=O)CS1 SY034788 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,1,0,1,0,0|0,0,2]=4 293 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,1,0,1,0,0|0,0,2]=4 294 B7R1.2 O=C1CCC(=O)C1 SY003377 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.2 O=C1COC(=O)C1 SY048546 [0,1,0,1,0,0|0,0,1]=3 296 B7R1.2 O=C1CSC(=O)N1 SY001546 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.2 O=C1CSC(=S)N1 SY037748 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,1,0,1,0,0|0,0,2]=4 299 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,1,0,1,0,0|0,0,2]=4 300 B7R1.2 O=C1OCC(F)O1 SY017141 [0,1,0,1,0,0|1,0,1]=4 301 B7R1.3 CC1=CC=CCC1 SY292105 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.3 CC1=NC=CC=N1 SY008219 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.3 CC1=NC=NC=C1 SY009308 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.3 CC1=NN=CC=C1 SY031534 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.3 O=C1C=CC=NN1 SY020182 [0,1,0,1,0,0|1,0,1]=4 306 B7R1.3 O=C1C=CCCN1 SY259179 [0,1,0,1,0,0|1,0,1]=4 307 B7R1.3 O=C1C=CN=CN1 SY002707 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.3 O=C1CC=CCN1 SY270920 [0,1,0,1,0,0|1,0,0]=3 309 B7R1.3 O=C1CCCCO1 SY018264 [0,1,0,1,0,0|0,0,2]=4 310 B7R1.3 O=C1CCCOC1 SY003102 [0,1,0,1,0,0|0,0,2]=4 311 B7R1.3 O=C1CNCCO1 SY047308 [0,1,0,1,0,0|0,0,2]=4 312 B7R1.3 O=C1COCCO1 SY055447 [0,1,0,1,0,0|0,0,2]=4 313 B7R1.3 O=C1NCCCO1 SY005699 [0,1,0,1,0,0|0,0,2]=4 314 B7R1.4 CC1=C(C)NC=C1 SY284153 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.4 CC1=C(I)C=NO1 SY038698 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.4 CC1=C(N)ON=C1 SY193496 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.4 CC1=CCNC1=O SY295114 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.4 CC1CCOC1=O SY051660 [0,1,0,1,0,0|0,0,2]=4 319 B7R1.4 CN1C=CN=C1Br SY013969 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.4 CN1C=CN=C1Cl SY019835 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.4 CN1C=CN=C1N SY010735 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.4 NC1CCOC1=O SY111957 [0,1,0,1,0,0|0,0,2]=4 323 B7R1.4 N[C@@H]1CCOC1=O SY017502 [0,1,0,1,0,0|0,0,2]=4 324 B7R1.4 N[C@H]1CCOC1=O SY027501 [0,1,0,1,0,0|0,0,2]=4 325 B7R1.4 N[C@H]1CCOC1=O SY030497 [0,1,0,1,0,0|0,0,2]=4 326 B7R1.4 O=C1OCC=C1Br SY017900 [0,1,0,1,0,0|0,0,2]=4 327 B7R1.4 O=C1OCCC1Br SY001762 [0,1,0,1,0,0|0,0,2]=4 328 B7R1.4 O=C1OCCC1O SY052569 [0,1,0,1,0,0|0,0,2]=4 329 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,1,0,1,0,0|0,0,2]=4 330 B7R1.10 O=C1CC(CBr)O1 SY250803 [0,1,0,1,0,0|0,0,2]=4 331 B7R1.12 CC1=CC1C(=O)O SY273475 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.14 O=S1(=O)C=CCO1 SY029588 [0,1,0,1,0,0|2,0,0]=4