0 B5R0.5 C=C(C)C(=O)[O-] CS-0448042 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 CC(=N)N(C)C CS-0231575 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.5 CC(=O)N(C)C CS-0858406 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.5 CC(=O)N(C)N CS-0535170 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.5 CC(Br)C(C)Br CS-W014879 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.5 CC(I)C(N)=O CS-0233464 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CC(N)C(C)O CS-0776838 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 CC(N)C(F)F CS-0307900 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.5 CC(O)C(=N)N CS-0037354 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.5 CC(O)C(=N)N CS-0677492 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CN(C)C(=S)[S-] CS-0187344 [0,0,0,0,0,0|2,2,0]=4 11 B5R0.5 CN(O)C(N)=O CS-0244981 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 C[C@@H](N)C(F)F CS-0492658 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.5 C[C@H](N)[C@H](C)O CS-0266951 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 C[C@H](N)[C@H](C)O CS-0567898 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.5 NC(=O)C(F)Br CS-0216247 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 NC(=O)C(F)Cl CS-0452473 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.5 O=C([O-])C(=O)[O-] CS-0698867 [0,0,0,0,0,0|1,0,3]=4 18 B5R0.5 O=C([O-])C(F)F CS-0121627 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 C=C(Br)CN CS-0251869 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 C=CB(O)O CS-0176836 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 C=C[C@H](C)N CS-0196819 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CC(O)CN CS-0466165 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 CC(S)CN CS-0231499 [1,0,0,0,0,0|1,1,1]=4 24 B4R0.1 CCS(C)=O CS-0772381 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CNC(=S)[S-] CS-0370878 [1,0,0,0,0,0|1,2,0]=4 26 B4R0.1 C[C@@H](N)CN CS-0341700 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 N=C(N)CBr CS-0694615 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 N=C(N)CF CS-0336061 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 N=C(N)CN CS-0112951 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 N=C(N)NO CS-0044700 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 N=C(N)NO CS-0306684 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 NC(=S)CF CS-0233322 [1,0,0,0,0,0|2,1,0]=4 33 B4R0.1 NCC(=O)O CS-0468679 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 NCC(N)=S CS-0225666 [1,0,0,0,0,0|2,1,0]=4 35 B4R0.1 NNC(N)=O CS-0058574 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 O=C(O)CS CS-0620475 [1,0,0,0,0,0|0,1,0]=2 37 B4R0.1 O=S([O-])CO CS-0875772 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.3 C#CC(O)C(=O)O CS-0254224 [0,1,0,0,0,0|0,0,1]=2 39 B6R0.3 C=C(C)C(=O)CC CS-0245128 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 C=CC(O)C(=O)O CS-0237282 [0,1,0,0,0,0|0,0,1]=2 41 B6R0.3 C=C[C@@H](C)[C@H](C)O CS-0567857 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 C=C[C@H](N)C(=O)O CS-0012700 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.3 CC(=O)C(=O)CCl CS-0239555 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 CC(=O)C(C)CO CS-0132490 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.3 CC(C)C(=O)CCl CS-0187851 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 CC(C)C(C)CO CS-0752023 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 CC(C)C(O)CO CS-0965839 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.3 CC(CN)C(=O)O CS-0210672 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.3 CC(N)C(C)CO CS-0262667 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 CC(O)C(C)C#N CS-0238999 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.3 CC(O)C(C)CN CS-0257858 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.3 CC(O)C(C)CO CS-0258428 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.3 CC(O)C(N)CO CS-0091337 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 CC(O)C(O)CO CS-0332229 [0,1,0,0,0,0|0,0,2]=3 55 B6R0.3 CC(O)\C(N)=N\O CS-0734185 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.3 CCC(=O)C(C)O CS-0242252 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.3 CCC(C)C(=O)O CS-0964752 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.3 CCC(C)C(C)O CS-0234266 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 CCC(C)S(=O)[O-] CS-0279012 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 CCC(Cl)C(N)=O CS-0455431 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.3 CCN(C)C(C)=O CS-0187586 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.3 CC[C@@H](N)[C@@H](C)O CS-0538779 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 CC[C@@H](N)[C@H](C)O CS-0183883 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 CC[C@@H](N)[C@H](C)O CS-0183884 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 CC[C@H](Cl)C(=O)O CS-0198776 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183872 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 CNC(C)C(N)=O CS-0277080 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 CNC(C)C(N)=O CS-0508434 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.3 CN[C@@H](C)C(=O)O CS-0527567 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.3 COC(=O)C(=O)O CS-0668275 [0,1,0,0,0,0|0,0,2]=3 71 B6R0.3 COC(=O)C(F)F CS-0204334 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.3 COC(C)C(=N)N CS-0230214 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.3 COC(C)[C@@H](C)N CS-0873276 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 CO[C@@H](C)[C@@H](C)N CS-1136417 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CSC(C)C(C)=O CS-0453432 [0,1,0,0,0,0|1,1,0]=3 76 B6R0.3 C[C@@H](CO)C(=O)O CS-0372687 [0,1,0,0,0,0|0,0,0]=1 77 B6R0.3 C[C@@H](N)C(=O)NO CS-0217818 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.3 C[C@@H](O)[C@H](N)CO CS-0240190 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.3 C[C@@H](ON)C(=O)O CS-0511050 [0,1,0,0,0,0|0,0,0]=1 80 B6R0.3 C[C@H](O)C(=O)O[K] CS-0620477 [0,1,0,0,0,0|0,0,0]=1 81 B6R0.3 C[C@H](O)[C@H](N)CO CS-0356224 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.3 C\C=C(\Cl)C(=O)O CS-0668274 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 NC(=O)C(N)CO CS-0161462 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 NC(CCl)C(=O)O CS-0539404 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.3 NC(CF)C(=O)O CS-0181058 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 NCC(F)C(=O)O CS-0456683 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.3 NCC(N)C(=O)O CS-0666493 [0,1,0,0,0,0|1,0,0]=2 88 B6R0.3 NCC(O)C(F)F CS-0145740 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 NCC(O)C(F)F CS-0145741 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 NCC(O)C(N)=O CS-0521710 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.3 N[C@@H](CS)C(=O)O CS-0516218 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.3 O=C(O)C(Cl)CCl CS-0204463 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.3 O=C(O)C(O)C[O-] CS-0636758 [0,1,0,0,0,0|0,0,0]=1 94 B6R0.3 O=C(O)[C@@H](Br)CO CS-0099808 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.3 O=C(O)[C@H](Br)CO CS-0099806 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.7 CC(=O)C(C)(C)N CS-0036060 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.7 CC(=O)C(Cl)(Cl)Cl CS-0207254 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.7 CC(=O)C(F)(F)Cl CS-0237892 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.7 CC(Br)C(C)(C)O CS-0541578 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.7 CC(C)(Br)[N+](=O)[O-] CS-0757564 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.7 CC(C)S(C)(=O)=O CS-0529651 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.7 CC(Cl)(Cl)C(=O)[O-] CS-0444021 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.7 CC(F)(F)S(=O)[O-] CS-0258693 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.7 CC(I)C(C)(C)O CS-0570811 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.7 CC(N)C(C)(C)O CS-0252507 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.7 CC(N)P(=O)(O)O CS-0622467 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.7 CC(O)C(Cl)(Cl)Cl CS-0731371 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.7 C[C@@H](N)C(C)(C)O CS-0342230 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.7 C[C@H](N)C(C)(C)O CS-0653055 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.7 O=C(O)C(F)(F)F CS-0051842 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.7 O=C(O)C(F)(F)F CS-0133238 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.7 O=C(O)C(F)(F)F CS-0172791 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.7 O=C(O)C(F)(F)F CS-0184148 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.7 O=C([O-])C(F)(F)F CS-0207918 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.7 [2H]C(C)(N)C(=O)O CS-0201649 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.7 [2H]C([2H])([2H])C(N)=O CS-0356175 [0,1,0,0,0,0|3,0,0]=4 117 B6R1.4 CC1CNC1=O CS-0046512 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.4 CC1OCC1N CS-0312215 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.4 CC1OCC1O CS-0051834 [0,0,0,1,0,0|1,0,1]=3 120 B6R1.4 C[C@H]1NC[C@@H]1O CS-0782278 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.4 NC1CCC1O CS-0310362 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0049745 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045478 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.4 N[C@H]1CC[C@@H]1O CS-0183307 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.4 N[C@H]1CC[C@H]1O CS-0784768 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.4 OC1CCC1O CS-0683326 [0,0,0,1,0,0|1,0,1]=3 127 B6R1.4 O[C@@H]1CC[C@H]1O CS-0504665 [0,0,0,1,0,0|1,0,1]=3 128 B6R1.4 O[C@H]1CC[C@H]1O CS-0504664 [0,0,0,1,0,0|1,0,1]=3 129 B6R1.11 C=C(Br)C1CC1 CS-0133268 [0,0,0,1,0,0|3,0,0]=4 130 B6R1.11 C[C@@H](O)C1CC1 CS-0123843 [0,0,0,1,0,0|2,0,1]=4 131 B6R0.2 C=C(C)CC(=O)O CS-0222727 [0,0,0,0,0,1|1,0,1]=3 132 B6R0.2 CC(=O)O[AlH3](O)O CS-0111502 [0,0,0,0,0,1|3,0,0]=4 133 B6R0.2 CC(=O)\C=C(/C)N CS-0970843 [0,0,0,0,0,1|2,0,1]=4 134 B6R0.2 CC(Br)CC(=O)O CS-0234784 [0,0,0,0,0,1|1,0,0]=2 135 B6R0.2 CC(C)=CC(N)=O CS-0237253 [0,0,0,0,0,1|2,0,1]=4 136 B6R0.2 CC(C)NC(N)=S CS-0180918 [0,0,0,0,0,1|2,1,0]=4 137 B6R0.2 CC(N)CC(C)O CS-0723502 [0,0,0,0,0,1|2,0,1]=4 138 B6R0.2 CC(O)C[C@@H](C)N CS-1057041 [0,0,0,0,0,1|2,0,1]=4 139 B6R0.2 C[C@H](O)C[C@@H](C)O CS-0999890 [0,0,0,0,0,1|1,0,1]=3 140 B6R0.2 O=C([O-])OC(Cl)Cl CS-0235602 [0,0,0,0,0,1|2,0,1]=4 141 B3R0.1 NCCO CS-0621989 [2,0,0,0,0,0|1,0,1]=4 142 B3R0.2 CC(=N)N CS-0180936 [2,0,0,0,0,0|2,0,0]=4 143 B3R0.2 CC(=O)O CS-1154102 [2,0,0,0,0,0|0,0,0]=2 144 B3R0.2 CC(=O)[O-] CS-0459253 [2,0,0,0,0,0|0,0,1]=3 145 B3R0.2 CC(=O)[O-] CS-0870965 [2,0,0,0,0,0|0,0,1]=3 146 B3R0.2 CC(C)O CS-1046195 [2,0,0,0,0,0|0,0,1]=3 147 B3R0.2 CN(C)O CS-0757536 [2,0,0,0,0,0|1,0,1]=4 148 B3R0.2 O=P(=O)O CS-0620318 [2,0,0,0,0,0|1,0,1]=4 149 B3R0.2 [2H]C(N)=O CS-0567859 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.1 C=C(Br)CCO CS-0204881 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.1 C=C(C)CCCl CS-0685201 [1,1,0,0,0,0|2,0,0]=4 152 B5R0.1 C=C(C)CCN CS-0204885 [1,1,0,0,0,0|2,0,0]=4 153 B5R0.1 C=CCC(C)N CS-0217614 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.1 C=CC[C@H](C)N CS-0910278 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.1 CC#CC(C)=O CS-0245459 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 CC(=O)CCBr CS-0162440 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.1 CC(=O)OCI CS-0943067 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.1 CC(O)CCCl CS-0959567 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.1 CC(O)CNN CS-0036622 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.1 CCSC(C)=O CS-0206289 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.1 CNCC(C)O CS-0754427 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.1 CNC[C@@H](C)O CS-0375929 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.1 CNC[C@H](C)O CS-0139471 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 CNC[C@H](C)O CS-0652032 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.1 COCC(N)=S CS-0216719 [1,1,0,0,0,0|1,1,0]=4 166 B5R0.1 CONC(N)=O CS-0236664 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.1 CS(=O)CCN CS-0762173 [1,1,0,0,0,0|2,0,0]=4 168 B5R0.1 CSCC(N)=S CS-0237490 [1,1,0,0,0,0|1,1,0]=4 169 B5R0.1 C[C@@H](O)CC#N CS-0693312 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.1 C[C@@H](O)CCN CS-0113150 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.1 N=C(N)CCO CS-0570174 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.1 N=C(N)CCO CS-0698343 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.1 NC(=O)NCO CS-0719447 [1,1,0,0,0,0|1,0,0]=3 174 B5R0.1 NCCC(=O)O CS-0214063 [1,1,0,0,0,0|0,0,0]=2 175 B5R0.1 NCCC(N)=O CS-0465599 [1,1,0,0,0,0|1,0,0]=3 176 B5R0.1 NNCC(N)=O CS-0233610 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.1 NOCC(N)=O CS-0225941 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.1 O=C(O)C#CBr CS-0372642 [1,1,0,0,0,0|0,0,2]=4 179 B5R0.1 O=S([O-])CCCl CS-0259077 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.1 OCC=C(Cl)Cl CS-0962787 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.3 C=C(C#N)CO CS-0079973 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.3 C=CC(O)C#N CS-0223428 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.3 C=C[C@H](N)CO CS-0089895 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.3 CC(CO)NN CS-0221979 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.3 CCC(C)ON CS-0232113 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.3 CCC(O)CBr CS-0197080 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.3 CNC(=O)NN CS-0769790 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.3 CNC(C)CO CS-0522344 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.3 CN[C@H](C)CO CS-0697577 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.3 CSC(=O)SC CS-0015824 [1,1,0,0,0,0|1,1,0]=4 191 B5R0.3 C[C@@H](CN)CO CS-0231467 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.3 NCC(=O)CN CS-0181766 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.3 NCC(F)CO CS-0523308 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.3 NCC(O)CF CS-0071970 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.3 NC[C@H](F)CO CS-0517422 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.3 NNC(=O)CS CS-0524226 [1,1,0,0,0,0|1,1,0]=4 197 B5R0.3 OC(CF)CCl CS-0121193 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.3 OCC(O)CO CS-0188495 [1,1,0,0,0,0|0,0,1]=3 199 B5R0.3 OC[C@@H](O)CF CS-0022575 [1,1,0,0,0,0|0,0,1]=3 200 B5R0.4 CC(C)(N)CO CS-0660148 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.2 C=CC(=O)CC(C)C CS-0449789 [0,1,0,0,0,1|2,0,0]=4 202 B7R0.2 CC(=O)NC(C)CN CS-0521164 [0,1,0,0,0,1|2,0,0]=4 203 B7R0.2 CC(=O)OC(Br)CBr CS-0450286 [0,1,0,0,0,1|2,0,0]=4 204 B7R0.2 CC(C#N)CC(=O)O CS-0611916 [0,1,0,0,0,1|1,0,0]=3 205 B7R0.2 CC(C#N)NC(N)=O CS-0239269 [0,1,0,0,0,1|2,0,0]=4 206 B7R0.2 CC(C)NC(=O)CBr CS-0153998 [0,1,0,0,0,1|2,0,0]=4 207 B7R0.2 CC(C)NC(=O)CI CS-0365091 [0,1,0,0,0,1|2,0,0]=4 208 B7R0.2 CC(C)NC(=O)CN CS-0245520 [0,1,0,0,0,1|2,0,0]=4 209 B7R0.2 CC(O)CC(=O)NN CS-0660666 [0,1,0,0,0,1|1,0,0]=3 210 B7R0.2 CCC(=O)CC(=O)O CS-0321524 [0,1,0,0,0,1|0,0,2]=4 211 B7R0.2 CCC(=O)CC(C)C CS-0205108 [0,1,0,0,0,1|2,0,0]=4 212 B7R0.2 CC[C@@H](C)CC(=O)O CS-0172023 [0,1,0,0,0,1|1,0,0]=3 213 B7R0.2 CC[C@@H](N)CC(=O)O CS-0236565 [0,1,0,0,0,1|1,0,0]=3 214 B7R0.2 CC\C(C)=C\C(=O)O CS-0006550 [0,1,0,0,0,1|1,0,1]=4 215 B7R0.2 CNC(=O)CC(C)C CS-0763692 [0,1,0,0,0,1|2,0,0]=4 216 B7R0.2 CNC(=O)CC(C)N CS-0242259 [0,1,0,0,0,1|2,0,0]=4 217 B7R0.2 CNC(C)CC(=O)O CS-0742482 [0,1,0,0,0,1|1,0,0]=3 218 B7R0.2 CNC(C)CC(N)=O CS-0714602 [0,1,0,0,0,1|2,0,0]=4 219 B7R0.2 COC(=O)CC(C)Br CS-0154070 [0,1,0,0,0,1|1,0,0]=3 220 B7R0.2 COC(=O)C[C@H](C)N CS-0672686 [0,1,0,0,0,1|1,0,0]=3 221 B7R0.2 COC(=O)OC(C)C CS-0368304 [0,1,0,0,0,1|1,0,0]=3 222 B7R0.2 COC(=O)OC(C)Cl CS-0902839 [0,1,0,0,0,1|1,0,0]=3 223 B7R0.2 COC(C)CC(C)O CS-0321884 [0,1,0,0,0,1|1,0,1]=4 224 B7R0.2 CO\C(C)=C\C(C)=O CS-0517157 [0,1,0,0,0,1|1,0,1]=4 225 B7R0.2 C[C@H](O)CC(=O)O[Na] CS-0143593 [0,1,0,0,0,1|0,0,0]=2 226 B7R0.2 NC(CO)CC(=O)O CS-0161147 [0,1,0,0,0,1|1,0,0]=3 227 B7R0.9 CC(=O)CC(C)(C)N CS-0024134 [0,1,0,0,0,1|2,0,0]=4 228 B7R0.9 CC(=O)NC(C)(C)C CS-0331122 [0,1,0,0,0,1|2,0,0]=4 229 B7R0.9 CC(C)(O)CC(=O)O CS-0915573 [0,1,0,0,0,1|0,0,0]=2 230 B7R0.16 CC(Br)C(Br)C(=O)O CS-0454034 [0,1,0,0,0,1|1,0,0]=3 231 B7R0.16 CC(C(=O)O)N(C)C CS-0205349 [0,1,0,0,0,1|2,0,0]=4 232 B7R0.16 CC(C(=O)O)N(C)C CS-0447938 [0,1,0,0,0,1|2,0,0]=4 233 B7R0.16 CC(C)=C(C)C(=O)O CS-0229947 [0,1,0,0,0,1|1,0,1]=4 234 B7R0.16 CC(C)=C(F)C(=O)O CS-0231240 [0,1,0,0,0,1|1,0,1]=4 235 B7R0.16 CC(C)[C@@H](C)C(=O)O CS-0273260 [0,1,0,0,0,1|1,0,0]=3 236 B7R0.16 CC(C)[C@H](C)C(=O)O CS-0447089 [0,1,0,0,0,1|1,0,0]=3 237 B7R0.16 CC(F)C(N)C(=O)O CS-0272279 [0,1,0,0,0,1|1,0,0]=3 238 B7R0.16 CC(O)C(C)C(C)O CS-0242579 [0,1,0,0,0,1|1,0,1]=4 239 B7R0.16 CC(O)C(C)[N+](=O)[O-] CS-0598246 [0,1,0,0,0,1|1,0,1]=4 240 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CS-0257726 [0,1,0,0,0,1|1,0,0]=3 241 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-0031502 [0,1,0,0,0,1|0,0,0]=2 242 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0668310 [0,1,0,0,0,1|0,0,0]=2 243 B7R0.5 C=C(CCC)C(=O)O CS-0232511 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.5 C=C(COC)C(=O)O CS-0276223 [0,2,0,0,0,0|0,0,2]=4 245 B7R0.5 CC(=O)C(Cl)CCO CS-0444407 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.5 CCCC(=O)C(C)C CS-0204265 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.5 CCCC(N)C(N)=O CS-0832391 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.5 CCC[C@@H](O)C(=O)O CS-0697299 [0,2,0,0,0,0|0,0,0]=2 249 B7R0.5 CCNC(=O)C(C)Cl CS-0669894 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.5 CCNC(C)C(=O)O CS-0524761 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.5 CCNC(C)C(N)=O CS-0323954 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.5 CCN[C@@H](C)C(=O)O CS-0524772 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.5 CCN[C@H](C)C(=O)O CS-0457913 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.5 CCOC(=N)C(C)O CS-0662031 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.5 CCOC(=O)[C@H](C)Cl CS-0259841 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.5 CCSC(=O)[C@H](C)N CS-0163175 [0,2,0,0,0,0|1,1,0]=4 257 B7R0.5 CCSC(C)C(=O)O CS-0449712 [0,2,0,0,0,0|0,1,0]=3 258 B7R0.5 CN(C)C(=O)CON CS-0238328 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.5 CN(C)C(=O)OCCl CS-0139165 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.5 COCC(Cl)C(=O)O CS-W016486 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.5 COCC(N)C(N)=O CS-0224625 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.5 NCC[C@@H](O)C(=O)O CS-0214761 [0,2,0,0,0,0|0,0,0]=2 263 B7R0.5 N[C@@H](CCO)C(=O)O CS-0541796 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.5 O=C(O)C(O)CCO CS-1001199 [0,2,0,0,0,0|0,0,0]=2 265 B7R0.10 C=C(CC)C(=O)OC CS-0080800 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.10 C=C(OC)C(=O)OC CS-0238105 [0,2,0,0,0,0|0,0,2]=4 267 B7R0.10 C=CC(O)C(=O)OC CS-0099770 [0,2,0,0,0,0|0,0,1]=3 268 B7R0.10 CC(CO)C(=O)O[Na] CS-0169672 [0,2,0,0,0,0|0,0,0]=2 269 B7R0.10 CCC(C)C(=N)NO CS-0445663 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.10 CCC(C)C(=O)CCl CS-0230637 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.10 CCC(N)C(=O)NO CS-0359062 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.10 CNC(C)C(=O)OC CS-0272269 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.10 COC(=O)[C@@H](N)CCl CS-W017537 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.10 COC(=O)[C@@H](N)CO CS-0001840 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.10 COC(=O)[C@H](C)OC CS-0541735 [0,2,0,0,0,0|0,0,0]=2 276 B7R0.10 C\C=C(/Br)C(=O)OC CS-0188187 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.10 O=C(CS)C(=O)O[Na] CS-0231406 [0,2,0,0,0,0|0,0,2]=4 278 B7R0.10 O=C(O[K])C(=O)O[K] CS-0202378 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.10 O=C[C@@H](O)[C@@H](O)CO CS-0139803 [0,2,0,0,0,0|0,0,1]=3 280 B7R0.10 OC(CBr)C(O)CBr CS-W012677 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.10 OC[C@H](O)[C@@H](O)CO CS-0133193 [0,2,0,0,0,0|0,0,2]=4 282 B7R0.10 [C@@H](O)(C=O)[C@H](O)CO CS-W013580 [0,2,0,0,0,0|0,0,1]=3 283 B7R0.13 CC(=O)C(C)(C)CO CS-0160832 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.13 CC(C)(CBr)C(=O)O CS-0308255 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.13 CC(C)(CO)[N+](=O)[O-] CS-0242540 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.13 CC(Cl)(CCl)C(=O)O CS-0321424 [0,2,0,0,0,0|1,0,0]=3 287 B7R0.13 CC(O)(CO)C(=O)O CS-0062265 [0,2,0,0,0,0|0,0,0]=2 288 B7R0.13 CNC(C)(C)C(=O)O CS-0208734 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.13 CNC(C)(C)C(=O)O CS-0872569 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.13 CNC(C)(C)C(N)=O CS-0239436 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.13 COC(C)(C)C(N)=S CS-0239617 [0,2,0,0,0,0|1,1,0]=4 292 B7R0.14 CC(C)(C)C(=O)CN CS-0183436 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.14 CNC(=O)C(C)(C)N CS-0235740 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.14 COC(=O)C(C)(F)Br CS-0447443 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.15 CCC(CN)C(=O)O CS-0680219 [0,2,0,0,0,0|1,0,0]=3 296 B7R0.15 CCC(NC)C(N)=O CS-0895915 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.15 CCC(OC)C(=O)O CS-0252116 [0,2,0,0,0,0|0,0,0]=2 298 B7R0.15 CNC(CS)C(=O)O CS-0301359 [0,2,0,0,0,0|0,1,0]=3 299 B7R0.15 COC(OC)C(N)=O CS-0242007 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.15 CO[C@@H](CN)C(=O)O CS-1055675 [0,2,0,0,0,0|0,0,0]=2 301 B7R0.15 N#CC(CN)C(=O)O CS-0456957 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.17 CC(C)(C)P(=O)(O)O CS-0510880 [0,2,0,0,0,0|2,0,0]=4 303 B5R1.2 ClC1COC1 CS-0183303 [1,0,0,1,0,0|1,0,1]=4 304 B5R1.2 SC1COC1 CS-0048763 [1,0,0,1,0,0|0,1,1]=4 305 B7R1.2 CC1CC(N)=NO1 CS-0224760 [0,0,0,1,0,1|2,0,0]=4 306 B7R1.2 CC1CCC(=O)C1 CS-0015918 [0,0,0,1,0,1|2,0,0]=4 307 B7R1.2 C[C@@H]1CNC(=O)C1 CS-0053172 [0,0,0,1,0,1|2,0,0]=4 308 B7R1.2 C[C@H]1CCC(=O)O1 CS-0233222 [0,0,0,1,0,1|2,0,0]=4 309 B7R1.2 C[C@H]1COC(=O)C1 CS-0120813 [0,0,0,1,0,1|1,0,0]=3 310 B7R1.2 N[C@@H]1CNC(=O)C1 CS-0053173 [0,0,0,1,0,1|2,0,0]=4 311 B7R1.2 N[C@H]1CNC(=O)C1 CS-0053185 [0,0,0,1,0,1|2,0,0]=4 312 B7R1.2 O=C1C=C(O)CC1 CS-0319792 [0,0,0,1,0,1|1,0,1]=4 313 B7R1.2 O=C1C=C[C@H](O)C1 CS-0113091 [0,0,0,1,0,1|1,0,1]=4 314 B7R1.2 O=C1CC[C@H](O)C1 CS-0495545 [0,0,0,1,0,1|1,0,0]=3 315 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O CS-0055686 [0,0,0,1,0,1|1,0,0]=3 316 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0308589 [0,0,0,1,0,1|1,0,0]=3 317 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS-0443821 [0,0,0,1,0,1|2,0,0]=4 318 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-0043217 [0,0,0,1,0,1|1,0,0]=3 319 B7R1.12 O=C(O)[C@H]1C[C@H]1I CS-0016517 [0,0,0,1,0,1|1,0,0]=3 320 B7R1.16 CC1(O)CC(=O)C1 CS-0615533 [0,0,0,1,0,1|1,0,0]=3 321 B7R1.16 CC1(O)CC(O)C1 CS-0615532 [0,0,0,1,0,1|1,0,1]=4 322 B7R1.20 O=C(O)C=C1CC1 CS-0265215 [0,0,0,1,0,1|1,0,1]=4 323 B7R1.20 O=C(O)CC1CO1 CS-0057155 [0,0,0,1,0,1|0,0,0]=2 324 B7R1.4 CC1COCC1=O CS-0566067 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.4 CC1CSCC1=O CS-0309330 [0,1,0,1,0,0|1,1,0]=4 326 B7R1.4 C[C@@H]1CCNC1=O CS-0046449 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.4 NC1=CCOC1=O CS-0309293 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.4 NC1CCOC1=O CS-0039961 [0,1,0,1,0,0|1,0,0]=3 329 B7R1.4 NC1CCSC1=O CS-0059430 [0,1,0,1,0,0|1,1,0]=4 330 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0029555 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.4 N[C@@H]1COC[C@H]1O CS-0046712 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.4 N[C@H]1COC[C@@H]1O CS-0184532 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.4 O=C1NCCC1Br CS-0072352 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.4 O=C1OCC=C1Br CS-0101295 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.4 O=C1O[Pt]OC1=O CS-0111334 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.4 OC1CCCC1O CS-0451973 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.4 OC1CNCC1O CS-0083889 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.4 OC1CNCC1O CS-0496937 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.4 OC1COCC1Br CS-0487203 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.4 O[C@@H]1CCC[C@H]1O CS-0782195 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.4 O[C@H]1CCC[C@@H]1O CS-0058322 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.4 O[C@H]1COC[C@@H]1O CS-0173155 [0,1,0,1,0,0|0,0,2]=4 343 B7R1.8 COC1CCC1=O CS-0185211 [0,1,0,1,0,0|1,0,0]=3 344 B7R1.8 OC[C@H]1CC[C@H]1O CS-0499615 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.17 CC1(C)OCC1O CS-0654629 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.18 CC(=O)C1CNC1 CS-0469799 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.18 CC(O)C1COC1 CS-0056972 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.18 C[C@H](O)C1COC1 CS-0309421 [0,1,0,1,0,0|1,0,1]=4 349 B7R1.18 NC(=O)C1CCN1 CS-0005435 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.18 NC(=O)C1CCN1 CS-0718838 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.18 NC(=O)[C@@H]1CCN1 CS-0614448 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.18 NC(=O)[C@@H]1CCN1 CS-1046018 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.18 O=C(O)C1CCN1 CS-0271917 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.18 O=C(O)C1CSC1 CS-0045516 [0,1,0,1,0,0|0,1,0]=3 355 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0171605 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.18 O=C(O)[C@H]1CCO1 CS-0148271 [0,1,0,1,0,0|0,0,0]=2 357 B7R1.18 O=[N+]([O-])C1COC1 CS-0055701 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.19 CC(=O)C1(Br)CC1 CS-0199863 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.19 CC1(C(=O)O)CO1 CS-0113830 [0,1,0,1,0,0|0,0,0]=2 360 B7R1.19 NC(=O)C1(O)CC1 CS-0081496 [0,1,0,1,0,0|1,0,0]=3 361 B7R1.22 COC(=O)[C@@H]1CN1 CS-0040496 [0,1,0,1,0,0|1,0,0]=3 362 B7R1.22 NCC(=O)C1CC1 CS-0139185 [0,1,0,1,0,0|2,0,0]=4 363 B7R0.6 CC(=O)COC(C)C CS-0258624 [0,0,0,0,0,2|2,0,0]=4 364 B7R0.6 CC(=O)OCC(C)O CS-0505133 [0,0,0,0,0,2|1,0,0]=3 365 B7R0.6 CC(Br)CCC(=O)O CS-0225367 [0,0,0,0,0,2|1,0,0]=3 366 B7R0.6 CC(C)=CCC(=O)O CS-0453086 [0,0,0,0,0,2|1,0,1]=4 367 B7R0.6 CC(C)CCC(N)=O CS-0850663 [0,0,0,0,0,2|2,0,0]=4 368 B7R0.6 CC(C)NCC(=O)O CS-0274531 [0,0,0,0,0,2|1,0,0]=3 369 B7R0.6 CC(C)SCC(=O)O CS-0216007 [0,0,0,0,0,2|1,0,0]=3 370 B7R0.6 CC(O)CCC(=O)[O-] CS-0160829 [0,0,0,0,0,2|0,0,1]=3 371 B7R0.6 O=C(O)CCC(=O)O CS-0912129 [0,0,0,0,0,2|1,0,1]=4 372 B7R0.6 O=C(O)CSC(F)F CS-0240100 [0,0,0,0,0,2|2,0,0]=4