0 B4R0.1 C=C(Br)CN CS-0251869 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C=CB(O)O CS-0176836 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C=C[C@H](C)N CS-0196819 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(O)CN CS-0466165 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.1 CC(S)CN CS-0231499 [0,0,0,0,0,0|1,1,0]=2 5 B4R0.1 CCS(C)=O CS-0772381 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 C[C@@H](N)CN CS-0341700 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 N=C(N)CBr CS-0694615 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 N=C(N)CF CS-0336061 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 N=C(N)CN CS-0112951 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 N=C(N)NO CS-0044700 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 N=C(N)NO CS-0306684 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 NC(=S)CF CS-0233322 [0,0,0,0,0,0|2,1,1]=4 13 B4R0.1 NCC(=O)O CS-0468679 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 NCC(N)=S CS-0225666 [0,0,0,0,0,0|2,1,1]=4 15 B4R0.1 O=C(O)CS CS-0620475 [0,0,0,0,0,0|1,1,1]=3 16 B4R0.1 O=S([O-])CO CS-0875772 [0,0,0,0,0,0|2,0,1]=3 17 B3R0.1 C[Te][Te]C CS-0771445 [1,0,0,0,0,0|3,0,0]=4 18 B3R0.1 NCCN CS-0857495 [1,0,0,0,0,0|2,0,0]=3 19 B3R0.1 NCCO CS-0621989 [1,0,0,0,0,0|1,0,0]=2 20 B3R0.2 CC(=N)N CS-0180936 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.2 CC(=O)O CS-1154102 [1,0,0,0,0,0|0,0,2]=3 22 B3R0.2 CC(=O)[O-] CS-0459253 [1,0,0,0,0,0|0,0,3]=4 23 B3R0.2 CC(=O)[O-] CS-0870965 [1,0,0,0,0,0|0,0,3]=4 24 B3R0.2 CC(C)O CS-1046195 [1,0,0,0,0,0|0,0,0]=1 25 B3R0.2 CN(C)O CS-0757536 [1,0,0,0,0,0|1,0,0]=2 26 B3R0.2 FC(I)I CS-0749252 [1,0,0,0,0,0|3,0,0]=4 27 B3R0.2 O=P(=O)O CS-0620318 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 C=C(Br)CCO CS-0204881 [0,1,0,0,0,0|1,0,2]=4 29 B5R0.1 C=C(C)CCCl CS-0685201 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.1 C=C(C)CCN CS-0204885 [0,1,0,0,0,0|2,0,1]=4 31 B5R0.1 C=C(C)CNN CS-0742042 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.1 C=CCC(C)N CS-0217614 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.1 C=CC[C@H](C)N CS-0910278 [0,1,0,0,0,0|2,0,0]=3 34 B5R0.1 CC(=O)CCBr CS-0162440 [0,1,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(=O)OCI CS-0943067 [0,1,0,0,0,0|1,0,2]=4 36 B5R0.1 CC(C)=CCN CS-0434630 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.1 CC(N)CCN CS-0262681 [0,1,0,0,0,0|2,0,0]=3 38 B5R0.1 CC(O)CCCl CS-0959567 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.1 CC(O)CNN CS-0036622 [0,1,0,0,0,0|1,0,0]=2 40 B5R0.1 CCSC(C)=O CS-0206289 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.1 CN(C)CCI CS-0524227 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 CN(C)CCO CS-W009541 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.1 CNCC(C)O CS-0754427 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.1 CNCC(F)F CS-0099167 [0,1,0,0,0,0|3,0,0]=4 45 B5R0.1 CNC[C@@H](C)O CS-0375929 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.1 CNC[C@H](C)O CS-0139471 [0,1,0,0,0,0|1,0,0]=2 47 B5R0.1 CNC[C@H](C)O CS-0652032 [0,1,0,0,0,0|1,0,0]=2 48 B5R0.1 COCC(N)=S CS-0216719 [0,1,0,0,0,0|1,1,1]=4 49 B5R0.1 CS(=O)CC#N CS-0233781 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.1 CS(=O)CCN CS-0762173 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.1 CSCC(C)N CS-0217650 [0,1,0,0,0,0|1,1,0]=3 52 B5R0.1 C[C@@H](O)CC#N CS-0693312 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.1 C[C@@H](O)CCN CS-0113150 [0,1,0,0,0,0|1,0,0]=2 54 B5R0.1 C[NH+](C)CC[NH3+] CS-0214071 [0,1,0,0,0,0|3,0,0]=4 55 B5R0.1 C\C(I)=C\CI CS-0503683 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.1 N#CCC(F)F CS-0242692 [0,1,0,0,0,0|3,0,0]=4 57 B5R0.1 N=C(N)CCO CS-0570174 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.1 N=C(N)CCO CS-0698343 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.1 NC(=O)NCO CS-0719447 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.1 NCCC(=O)O CS-0214063 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.1 NNCC(F)F CS-0433399 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.1 NOCC(N)=O CS-0225941 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.1 OCC=C(Cl)Cl CS-0962787 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.3 C#CC(O)C#C CS-0310690 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.3 C=C(C#N)CO CS-0079973 [0,1,0,0,0,0|1,0,2]=4 66 B5R0.3 C=CC(O)C#N CS-0223428 [0,1,0,0,0,0|1,0,2]=4 67 B5R0.3 C=C[C@H](N)CO CS-0089895 [0,1,0,0,0,0|1,0,1]=3 68 B5R0.3 CC(C#N)C#N CS-0263861 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.3 CC(C#N)CBr CS-0241543 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.3 CC(C#N)CN CS-0253541 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.3 CC(CI)CI CS-0512528 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.3 CC(CN)CCl CS-0038279 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.3 CC(CN)CN CS-0168145 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.3 CC(CO)NN CS-0221979 [0,1,0,0,0,0|1,0,0]=2 75 B5R0.3 CCC(Br)CBr CS-0204830 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.3 CCC(C)NN CS-0210628 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.3 CCC(C)ON CS-0232113 [0,1,0,0,0,0|1,0,0]=2 78 B5R0.3 CCC(O)CBr CS-0197080 [0,1,0,0,0,0|1,0,0]=2 79 B5R0.3 CCC(S)CC CS-0253155 [0,1,0,0,0,0|1,1,0]=3 80 B5R0.3 CNC(C)CO CS-0522344 [0,1,0,0,0,0|1,0,0]=2 81 B5R0.3 CN[C@H](C)CO CS-0697577 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.3 C[C@@H](CN)CO CS-0231467 [0,1,0,0,0,0|1,0,0]=2 83 B5R0.3 N#CC(Br)CBr CS-0204302 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.3 N#CC(N)CO CS-0528524 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.3 NCC(=O)CN CS-0181766 [0,1,0,0,0,0|1,0,2]=4 86 B5R0.3 NCC(Br)CBr CS-0259791 [0,1,0,0,0,0|2,0,0]=3 87 B5R0.3 NCC(F)CO CS-0523308 [0,1,0,0,0,0|1,0,0]=2 88 B5R0.3 NCC(O)CF CS-0071970 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.3 NC[C@H](F)CO CS-0517422 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.3 OC(CF)CCl CS-0121193 [0,1,0,0,0,0|1,0,0]=2 91 B5R0.3 OCC(O)CO CS-0188495 [0,1,0,0,0,0|0,0,0]=1 92 B5R0.3 OC[C@@H](O)CF CS-0022575 [0,1,0,0,0,0|0,0,0]=1 93 B5R0.4 CC(C)(Cl)C#N CS-0223392 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.4 CC(C)(N)CBr CS-0044806 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.4 CC(C)(N)CF CS-0030310 [0,1,0,0,0,0|2,0,0]=3 96 B5R0.4 CC(C)(N)CO CS-0660148 [0,1,0,0,0,0|1,0,0]=2 97 B5R0.4 CP(C)(=O)CCl CS-0224734 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.4 CS(=O)(=O)CBr CS-0223879 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.4 CS(=O)(=O)CCl CS-0674567 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.4 CSC(C)(C)C CS-0326865 [0,1,0,0,0,0|3,0,0]=4 101 B5R0.4 C[Si](C)(C)CBr CS-0196909 [0,1,0,0,0,0|2,1,0]=4 102 B5R0.4 NCC(F)(F)Br CS-0205381 [0,1,0,0,0,0|3,0,0]=4 103 B5R0.4 OCC(F)(F)Br CS-0179505 [0,1,0,0,0,0|2,0,0]=3 104 B5R0.5 CC(Br)C(C)Br CS-W014879 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.5 CC(I)C(N)=O CS-0233464 [0,1,0,0,0,0|1,0,2]=4 106 B5R0.5 CC(N)C(C)O CS-0776838 [0,1,0,0,0,0|1,0,0]=2 107 B5R0.5 CC(N)C(F)F CS-0307900 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.5 CC(O)C(=N)N CS-0037354 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.5 CC(O)C(=N)N CS-0677492 [0,1,0,0,0,0|1,0,1]=3 110 B5R0.5 CN(O)C(N)=O CS-0244981 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.5 C[C@@H](N)C(F)F CS-0492658 [0,1,0,0,0,0|2,0,0]=3 112 B5R0.5 C[C@H](N)[C@H](C)O CS-0266951 [0,1,0,0,0,0|1,0,0]=2 113 B5R0.5 C[C@H](N)[C@H](C)O CS-0567898 [0,1,0,0,0,0|1,0,0]=2 114 B5R1.2 ClC1COC1 CS-0183303 [0,0,0,1,0,0|1,0,0]=2 115 B5R1.2 SC1COC1 CS-0048763 [0,0,0,1,0,0|0,1,0]=2 116 B5R1.4 C[C@@H]1C[C@H]1N CS-0197605 [0,0,0,1,0,0|2,0,0]=3 117 B5R1.4 C[C@H]1C[C@@H]1N CS-0214194 [0,0,0,1,0,0|2,0,0]=3 118 B5R1.4 C[C@H]1C[C@H]1N CS-0462910 [0,0,0,1,0,0|2,0,0]=3 119 B5R1.4 N[C@@H]1C[C@@H]1F CS-0143338 [0,0,0,1,0,0|2,0,0]=3 120 B5R1.4 [C@@H]1(N)C[C@H]1N CS-W006879 [0,0,0,1,0,0|2,0,0]=3 121 B2R0.1 CNC CS-0214096 [2,0,0,0,0,0|1,0,0]=3 122 B2R0.1 C[Cu]C CS-0676536 [2,0,0,0,0,0|1,0,0]=3 123 B2R0.1 C[Pd]C CS-0086756 [2,0,0,0,0,0|1,0,0]=3 124 B2R0.1 C[Zn]C CS-0676533 [2,0,0,0,0,0|1,0,0]=3 125 B2R0.1 O[Pt]O CS-0111341 [2,0,0,0,0,0|1,0,0]=3 126 B4R0.2 CC#CCI CS-0233903 [1,1,0,0,0,0|1,0,1]=4 127 B4R0.2 CCCNC CS-0312281 [1,1,0,0,0,0|1,0,0]=3 128 B4R0.2 CCCNN CS-0670498 [1,1,0,0,0,0|1,0,0]=3 129 B4R0.2 CCNCC CS-0214083 [1,1,0,0,0,0|1,0,0]=3 130 B4R0.2 COCCN CS-0468680 [1,1,0,0,0,0|1,0,0]=3 131 B4R0.2 CSCC#N CS-0204347 [1,1,0,0,0,0|1,0,1]=4 132 B4R0.2 NCCCF CS-0088913 [1,1,0,0,0,0|1,0,0]=3 133 B4R0.2 NOCCF CS-0231371 [1,1,0,0,0,0|1,0,0]=3 134 B4R0.2 OC\C=C\Cl CS-0224631 [1,1,0,0,0,0|0,0,2]=4 135 B4R0.3 CP(C)(=O)Cl CS-0238642 [1,1,0,0,0,0|1,0,1]=4 136 B4R0.3 CS(=O)(=O)O CS-1014623 [1,1,0,0,0,0|1,0,1]=4 137 B4R0.3 C[Hf](C)(C)C CS-0111857 [1,1,0,0,0,0|2,0,0]=4 138 B4R0.3 C[Mo](C)(Cl)Cl CS-0085428 [1,1,0,0,0,0|2,0,0]=4 139 B4R0.3 C[N+](C)(C)C CS-W011077 [1,1,0,0,0,0|2,0,0]=4 140 B4R0.3 C[N+](C)(C)N CS-0530352 [1,1,0,0,0,0|2,0,0]=4 141 B4R0.3 C[P+](C)(C)C CS-W017665 [1,1,0,0,0,0|2,0,0]=4 142 B4R0.3 C[W](C)(Cl)Cl CS-0110616 [1,1,0,0,0,0|2,0,0]=4 143 B4R0.3 C[Zr](C)(C)C CS-0085824 [1,1,0,0,0,0|2,0,0]=4 144 B4R0.3 O=[Cr](=O)(O)O CS-1045740 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.1 C#CCC(O)CN CS-0244963 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.1 C=CC(N)COC CS-0234293 [0,2,0,0,0,0|1,0,1]=4 147 B6R0.1 C=CCC(N)CC CS-0538746 [0,2,0,0,0,0|2,0,0]=4 148 B6R0.1 C=CCC(O)CC CS-0238036 [0,2,0,0,0,0|1,0,0]=3 149 B6R0.1 C=CC[C@H](N)CO CS-0325766 [0,2,0,0,0,0|1,0,0]=3 150 B6R0.1 CCC(Br)COC CS-0231861 [0,2,0,0,0,0|1,0,0]=3 151 B6R0.1 CCC(C)CCCl CS-0257596 [0,2,0,0,0,0|2,0,0]=4 152 B6R0.1 CCC(N)CCO CS-0757410 [0,2,0,0,0,0|1,0,0]=3 153 B6R0.1 CCC(O)CCN CS-0252993 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.1 CCC(O)CCO CS-0224666 [0,2,0,0,0,0|0,0,0]=2 155 B6R0.1 CCC(O)CNN CS-0739636 [0,2,0,0,0,0|1,0,0]=3 156 B6R0.1 CCCC(=O)CO CS-0239089 [0,2,0,0,0,0|0,0,2]=4 157 B6R0.1 CCCC(Br)CC CS-0320329 [0,2,0,0,0,0|2,0,0]=4 158 B6R0.1 CCCC(C)CBr CS-0296949 [0,2,0,0,0,0|2,0,0]=4 159 B6R0.1 CCCC(C)CCl CS-0621759 [0,2,0,0,0,0|2,0,0]=4 160 B6R0.1 CCCC(N)CC CS-0714492 [0,2,0,0,0,0|2,0,0]=4 161 B6R0.1 CCNC(C)CC CS-0441021 [0,2,0,0,0,0|2,0,0]=4 162 B6R0.1 CCOC(C)CN CS-0148791 [0,2,0,0,0,0|1,0,0]=3 163 B6R0.1 CCSC(C)C#N CS-0222525 [0,2,0,0,0,0|2,0,0]=4 164 B6R0.1 CNCC(C)C#N CS-0248402 [0,2,0,0,0,0|2,0,0]=4 165 B6R0.1 CNCC(C)CN CS-0443116 [0,2,0,0,0,0|2,0,0]=4 166 B6R0.1 CNCC(C)CO CS-0263897 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.1 CN[C@@H](C)CCO CS-0802797 [0,2,0,0,0,0|1,0,0]=3 168 B6R0.1 CN[C@H](C)CCO CS-0858605 [0,2,0,0,0,0|1,0,0]=3 169 B6R0.1 COCC(C)NN CS-0232402 [0,2,0,0,0,0|1,0,0]=3 170 B6R0.1 COCC(N)CO CS-0091346 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.1 COCC(O)CCl CS-0303388 [0,2,0,0,0,0|0,0,0]=2 172 B6R0.1 COCC(O)CF CS-0262658 [0,2,0,0,0,0|0,0,0]=2 173 B6R0.1 COC[C@@H](O)CN CS-0509864 [0,2,0,0,0,0|0,0,0]=2 174 B6R0.1 CSC(C)CCO CS-0242025 [0,2,0,0,0,0|0,1,0]=3 175 B6R0.1 CSCC(C)CN CS-0260731 [0,2,0,0,0,0|1,1,0]=4 176 B6R0.1 CSCC(C)CO CS-0242026 [0,2,0,0,0,0|0,1,0]=3 177 B6R0.1 C[C@H](CO)CCO CS-0197580 [0,2,0,0,0,0|0,0,0]=2 178 B6R0.1 NCC(N)CCO CS-0262956 [0,2,0,0,0,0|1,0,0]=3 179 B6R0.1 NCCC(O)CO CS-0212807 [0,2,0,0,0,0|0,0,0]=2 180 B6R0.1 N[C@@H](CO)CCO CS-0091341 [0,2,0,0,0,0|1,0,0]=3 181 B6R0.1 N[C@H](CS)CCS CS-0146136 [0,2,0,0,0,0|1,1,0]=4 182 B6R0.1 O=C(CO)CCO CS-0734935 [0,2,0,0,0,0|0,0,2]=4 183 B6R0.1 OCC[C@H](O)CCl CS-0127558 [0,2,0,0,0,0|0,0,0]=2 184 B6R0.2 C=C(C)CC(=O)O CS-0222727 [0,2,0,0,0,0|1,0,1]=4 185 B6R0.2 CC(Br)CC(=O)O CS-0234784 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.2 CC(C)CC(C)N CS-0171946 [0,2,0,0,0,0|2,0,0]=4 187 B6R0.2 CC(N)CC(C)O CS-0723502 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.2 CC(O)C[C@@H](C)N CS-1057041 [0,2,0,0,0,0|1,0,0]=3 189 B6R0.2 C[C@H](N)CN(C)C CS-0159972 [0,2,0,0,0,0|2,0,0]=4 190 B6R0.2 C[C@H](O)C[C@@H](C)O CS-0999890 [0,2,0,0,0,0|0,0,0]=2 191 B6R0.3 C#CC(O)C(=O)O CS-0254224 [0,2,0,0,0,0|0,0,2]=4 192 B6R0.3 C=CC(O)C(=O)O CS-0237282 [0,2,0,0,0,0|0,0,2]=4 193 B6R0.3 C=C[C@@H](C)[C@H](C)O CS-0567857 [0,2,0,0,0,0|1,0,0]=3 194 B6R0.3 CC(=O)C(C)CO CS-0132490 [0,2,0,0,0,0|0,0,1]=3 195 B6R0.3 CC(C)C(=O)CCl CS-0187851 [0,2,0,0,0,0|2,0,0]=4 196 B6R0.3 CC(C)C(C)CO CS-0752023 [0,2,0,0,0,0|1,0,0]=3 197 B6R0.3 CC(C)C(C)NN CS-0431728 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.3 CC(C)C(O)CO CS-0965839 [0,2,0,0,0,0|0,0,0]=2 199 B6R0.3 CC(CN)C(=O)O CS-0210672 [0,2,0,0,0,0|1,0,0]=3 200 B6R0.3 CC(CN)N(C)C CS-0159970 [0,2,0,0,0,0|2,0,0]=4 201 B6R0.3 CC(N)C(C)CO CS-0262667 [0,2,0,0,0,0|1,0,0]=3 202 B6R0.3 CC(O)C(C)C#N CS-0238999 [0,2,0,0,0,0|1,0,0]=3 203 B6R0.3 CC(O)C(C)CN CS-0257858 [0,2,0,0,0,0|1,0,0]=3 204 B6R0.3 CC(O)C(C)CO CS-0258428 [0,2,0,0,0,0|0,0,0]=2 205 B6R0.3 CC(O)C(N)CO CS-0091337 [0,2,0,0,0,0|0,0,0]=2 206 B6R0.3 CC(O)C(O)CO CS-0332229 [0,2,0,0,0,0|0,0,0]=2 207 B6R0.3 CC(O)\C(N)=N\O CS-0734185 [0,2,0,0,0,0|0,0,1]=3 208 B6R0.3 CCC(=O)C(C)O CS-0242252 [0,2,0,0,0,0|1,0,0]=3 209 B6R0.3 CCC(C)C(=O)O CS-0964752 [0,2,0,0,0,0|1,0,0]=3 210 B6R0.3 CCC(C)C(C)Cl CS-0262916 [0,2,0,0,0,0|2,0,0]=4 211 B6R0.3 CCC(C)C(C)O CS-0234266 [0,2,0,0,0,0|1,0,0]=3 212 B6R0.3 CCC(C)S(=O)[O-] CS-0279012 [0,2,0,0,0,0|1,0,1]=4 213 B6R0.3 CC[C@@H](N)[C@@H](C)O CS-0538779 [0,2,0,0,0,0|1,0,0]=3 214 B6R0.3 CC[C@@H](N)[C@H](C)O CS-0183883 [0,2,0,0,0,0|1,0,0]=3 215 B6R0.3 CC[C@@H](N)[C@H](C)O CS-0183884 [0,2,0,0,0,0|1,0,0]=3 216 B6R0.3 CC[C@H](Cl)C(=O)O CS-0198776 [0,2,0,0,0,0|1,0,1]=4 217 B6R0.3 CC[C@H](N)C(C)C CS-0215629 [0,2,0,0,0,0|2,0,0]=4 218 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183872 [0,2,0,0,0,0|1,0,0]=3 219 B6R0.3 CN[C@@H](C)C(=O)O CS-0527567 [0,2,0,0,0,0|1,0,1]=4 220 B6R0.3 COC(C)C(=N)N CS-0230214 [0,2,0,0,0,0|1,0,1]=4 221 B6R0.3 COC(C)[C@@H](C)N CS-0873276 [0,2,0,0,0,0|1,0,0]=3 222 B6R0.3 CO[C@@H](C)[C@@H](C)N CS-1136417 [0,2,0,0,0,0|1,0,0]=3 223 B6R0.3 C[C@@H](CO)C(=O)O CS-0372687 [0,2,0,0,0,0|0,0,0]=2 224 B6R0.3 C[C@@H](N)C(=O)NO CS-0217818 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.3 C[C@@H](O)[C@H](N)CO CS-0240190 [0,2,0,0,0,0|0,0,0]=2 226 B6R0.3 C[C@@H](ON)C(=O)O CS-0511050 [0,2,0,0,0,0|0,0,1]=3 227 B6R0.3 C[C@H](O)C(=O)O[K] CS-0620477 [0,2,0,0,0,0|0,0,1]=3 228 B6R0.3 C[C@H](O)[C@H](N)CO CS-0356224 [0,2,0,0,0,0|0,0,0]=2 229 B6R0.3 NC(=O)C(N)CO CS-0161462 [0,2,0,0,0,0|1,0,1]=4 230 B6R0.3 NC(CCl)C(=O)O CS-0539404 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.3 NC(CF)C(=O)O CS-0181058 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.3 NCC(F)C(=O)O CS-0456683 [0,2,0,0,0,0|1,0,1]=4 233 B6R0.3 NCC(N)C(=O)O CS-0666493 [0,2,0,0,0,0|1,0,1]=4 234 B6R0.3 NCC(O)C(F)F CS-0145740 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.3 NCC(O)C(F)F CS-0145741 [0,2,0,0,0,0|1,0,0]=3 236 B6R0.3 NCC(O)C(N)=O CS-0521710 [0,2,0,0,0,0|0,0,2]=4 237 B6R0.3 N[C@@H](CS)C(=O)O CS-0516218 [0,2,0,0,0,0|1,0,1]=4 238 B6R0.3 O=C(O)C(Cl)CCl CS-0204463 [0,2,0,0,0,0|1,0,1]=4 239 B6R0.3 O=C(O)C(O)C[O-] CS-0636758 [0,2,0,0,0,0|0,0,1]=3 240 B6R0.3 O=C(O)[C@@H](Br)CO CS-0099808 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.3 O=C(O)[C@H](Br)CO CS-0099806 [0,2,0,0,0,0|1,0,0]=3 242 B6R0.4 C#CCCC(C)O CS-0242593 [0,2,0,0,0,0|1,0,0]=3 243 B6R0.4 C=C(C)CCCO CS-0132697 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.4 CC#CCC(C)N CS-0244890 [0,2,0,0,0,0|2,0,0]=4 245 B6R0.4 CC(Br)CCC#N CS-0074633 [0,2,0,0,0,0|2,0,0]=4 246 B6R0.4 CC(C)CCON CS-0072030 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.4 CC(C)NCC#N CS-0251174 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.4 CC(C)NCC#N CS-0433313 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.4 CC(C)OCC#N CS-0265172 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.4 CC(C)SCCO CS-0317867 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.4 CC(C)\C=C\CBr CS-0225920 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.4 CC(Cl)CCCCl CS-0668755 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.4 CCC#CC(C)Br CS-0223757 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.4 CCNCC(C)N CS-0244889 [0,2,0,0,0,0|2,0,0]=4 255 B6R0.4 COCCC(C)=O CS-0250048 [0,2,0,0,0,0|0,0,2]=4 256 B6R0.4 COCC[C@@H](C)N CS-0858618 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.4 O=C(O)\C=C\CO CS-0020662 [0,2,0,0,0,0|1,0,1]=4 258 B6R0.5 C#CCC(C)(C)O CS-0265533 [0,2,0,0,0,0|1,0,0]=3 259 B6R0.5 C=CCC(C)(C)N CS-0217451 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.5 C=CCC(C)(C)O CS-0138338 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.5 CC(C)(O)CCI CS-0233321 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.5 CC(F)(F)CCBr CS-0697178 [0,2,0,0,0,0|2,0,0]=4 263 B6R0.5 CNCC(C)(C)C CS-W020152 [0,2,0,0,0,0|2,0,0]=4 264 B6R0.5 CNCC(C)(C)F CS-0199530 [0,2,0,0,0,0|2,0,0]=4 265 B6R0.5 COCC(C)(C)N CS-0217209 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.5 CSCC(C)(C)O CS-0248291 [0,2,0,0,0,0|0,1,0]=3 267 B6R0.8 C#CC(C)(C)CO CS-0137418 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.8 CC(C)(C#N)CBr CS-0511523 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.8 CC(C)(C#N)CN CS-0239432 [0,2,0,0,0,0|2,0,0]=4 270 B6R0.8 CC(C)(CCl)CCl CS-0205194 [0,2,0,0,0,0|2,0,0]=4 271 B6R0.8 CCC(C)(C)NN CS-0870463 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.8 CCC(C)(O)C#N CS-0217800 [0,2,0,0,0,0|1,0,0]=3 273 B6R0.8 CSC(C)(C)CO CS-0308636 [0,2,0,0,0,0|0,1,0]=3 274 B6R0.9 C#CC(CC)CN CS-0646559 [0,2,0,0,0,0|2,0,0]=4 275 B6R0.9 CCC(CF)NN CS-0230085 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.9 CCC(CN)CN CS-0239311 [0,2,0,0,0,0|2,0,0]=4 277 B6R0.9 CCC(CN)OC CS-0148793 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.9 CCC(CO)CO CS-0210382 [0,2,0,0,0,0|0,0,0]=2 279 B6R0.9 CNC(CO)CO CS-0238156 [0,2,0,0,0,0|0,0,0]=2 280 B6R0.9 NCC(CO)CO CS-0354635 [0,2,0,0,0,0|0,0,0]=2 281 B6R0.7 CC(Br)C(C)(C)O CS-0541578 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.7 CC(C)(N)C(F)F CS-0468178 [0,2,0,0,0,0|2,0,0]=4 283 B6R0.7 CC(I)C(C)(C)O CS-0570811 [0,2,0,0,0,0|1,0,0]=3 284 B6R0.7 CC(N)C(C)(C)O CS-0252507 [0,2,0,0,0,0|1,0,0]=3 285 B6R0.7 CC(N)P(=O)(O)O CS-0622467 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.7 CC(O)C(Cl)(Cl)Cl CS-0731371 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.7 C[C@@H](N)C(C)(C)O CS-0342230 [0,2,0,0,0,0|1,0,0]=3 288 B6R0.7 C[C@@H](N)C(C)(F)F CS-0539507 [0,2,0,0,0,0|2,0,0]=4 289 B6R0.7 C[C@@H](N)C(F)(F)F CS-0099939 [0,2,0,0,0,0|2,0,0]=4 290 B6R0.7 C[C@H](N)C(C)(C)O CS-0653055 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.7 [2H]C(C)(N)C(=O)O CS-0201649 [0,2,0,0,0,0|1,0,1]=4 292 B6R1.2 Br[C@@H]1CCNC1 CS-0223803 [0,1,0,1,0,0|2,0,0]=4 293 B6R1.2 CC1CCNC1 CS-0451382 [0,1,0,1,0,0|2,0,0]=4 294 B6R1.2 CC1COCO1 CS-0204301 [0,1,0,1,0,0|0,0,0]=2 295 B6R1.2 CC1SCCS1 CS-0365126 [0,1,0,1,0,0|1,1,0]=4 296 B6R1.2 ClC1CCOC1 CS-W004265 [0,1,0,1,0,0|1,0,0]=3 297 B6R1.2 NC1CCNC1 CS-W004336 [0,1,0,1,0,0|2,0,0]=4 298 B6R1.2 NC1CCSC1 CS-0046717 [0,1,0,1,0,0|1,1,0]=4 299 B6R1.2 O[C@@H]1C=CCC1 CS-1136917 [0,1,0,1,0,0|1,0,1]=4 300 B6R1.2 O[C@@H]1CCSC1 CS-0171629 [0,1,0,1,0,0|0,1,0]=3 301 B6R1.2 SC1CCNC1 CS-0185425 [0,1,0,1,0,0|1,1,0]=4 302 B6R1.2 SC1CCSC1 CS-0232805 [0,1,0,1,0,0|0,2,0]=4 303 B6R1.2 S[C@H]1CCNC1 CS-0185417 [0,1,0,1,0,0|1,1,0]=4 304 B6R1.2 [C@@H]1(N)CCNC1 CS-W016678 [0,1,0,1,0,0|2,0,0]=4 305 B6R1.3 N#CCC1CO1 CS-0877276 [0,1,0,1,0,0|1,0,0]=3 306 B6R1.5 CC1CC(=O)N1 CS-0046688 [0,1,0,1,0,0|1,0,1]=4 307 B6R1.5 CC1CC(O)C1 CS-0055823 [0,1,0,1,0,0|1,0,0]=3 308 B6R1.5 C[C@@H]1C[C@@H](C)N1 CS-0434799 [0,1,0,1,0,0|2,0,0]=4 309 B6R1.5 C[C@H]1C[C@@H](C)N1 CS-0517867 [0,1,0,1,0,0|2,0,0]=4 310 B6R1.5 C[C@H]1C[C@@H](N)C1 CS-0049698 [0,1,0,1,0,0|2,0,0]=4 311 B6R1.5 C[C@H]1C[C@H](C)N1 CS-0162351 [0,1,0,1,0,0|2,0,0]=4 312 B6R1.5 NC1CC(N)C1 CS-0049638 [0,1,0,1,0,0|2,0,0]=4 313 B6R1.5 N[C@H]1C[C@@H](N)C1 CS-0049755 [0,1,0,1,0,0|2,0,0]=4 314 B6R1.5 N[C@H]1C[C@@H](O)C1 CS-0183121 [0,1,0,1,0,0|1,0,0]=3 315 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047839 [0,1,0,1,0,0|2,0,0]=4 316 B6R1.5 OC1CC(Br)C1 CS-0374322 [0,1,0,1,0,0|1,0,0]=3 317 B6R1.5 O[C@H]1C[C@@H](F)C1 CS-0049706 [0,1,0,1,0,0|1,0,0]=3 318 B6R1.5 O[C@H]1C[C@@H](O)C1 CS-0056269 [0,1,0,1,0,0|0,0,0]=2 319 B6R1.5 O[C@H]1C[C@H](O)C1 CS-0056268 [0,1,0,1,0,0|0,0,0]=2 320 B6R1.8 CC1CC1CBr CS-0266125 [0,1,0,1,0,0|2,0,0]=4 321 B6R1.8 CC1CC1CO CS-0251356 [0,1,0,1,0,0|1,0,0]=3 322 B6R1.8 C[C@H]1C[C@H]1CO CS-0183080 [0,1,0,1,0,0|1,0,0]=3 323 B6R1.8 N#C[C@H]1C[C@@H]1F CS-0447908 [0,1,0,1,0,0|2,0,0]=4 324 B6R1.8 OCC1CC1Cl CS-0222738 [0,1,0,1,0,0|1,0,0]=3 325 B6R1.9 CC1(C)CC1N CS-0071402 [0,1,0,1,0,0|2,0,0]=4 326 B6R1.9 N[C@H]1CC1(F)F CS-0197849 [0,1,0,1,0,0|2,0,0]=4 327 B6R1.10 CC1(C)CCN1 CS-0057135 [0,1,0,1,0,0|2,0,0]=4 328 B6R1.10 CC1(N)CSC1 CS-0045441 [0,1,0,1,0,0|1,1,0]=4 329 B6R1.11 CC(Cl)C1CC1 CS-0209842 [0,1,0,1,0,0|2,0,0]=4 330 B6R1.11 C[C@@H](O)C1CC1 CS-0123843 [0,1,0,1,0,0|1,0,0]=3 331 B6R1.4 CC1CNC1=O CS-0046512 [0,1,0,1,0,0|1,0,1]=4 332 B6R1.4 CC1NCC1F CS-0184006 [0,1,0,1,0,0|2,0,0]=4 333 B6R1.4 CC1OCC1N CS-0312215 [0,1,0,1,0,0|1,0,0]=3 334 B6R1.4 CC1OCC1O CS-0051834 [0,1,0,1,0,0|0,0,0]=2 335 B6R1.4 C[C@@H]1NCC1F CS-0478356 [0,1,0,1,0,0|2,0,0]=4 336 B6R1.4 C[C@@H]1NC[C@@H]1F CS-0517876 [0,1,0,1,0,0|2,0,0]=4 337 B6R1.4 C[C@H]1NCC1F CS-0478355 [0,1,0,1,0,0|2,0,0]=4 338 B6R1.4 C[C@H]1NC[C@@H]1O CS-0782278 [0,1,0,1,0,0|1,0,0]=3 339 B6R1.4 C[C@H]1NC[C@H]1F CS-0478354 [0,1,0,1,0,0|2,0,0]=4 340 B6R1.4 NC1CCC1O CS-0310362 [0,1,0,1,0,0|1,0,0]=3 341 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0049745 [0,1,0,1,0,0|1,0,0]=3 342 B6R1.4 N[C@@H]1CC[C@H]1N CS-0474240 [0,1,0,1,0,0|2,0,0]=4 343 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045478 [0,1,0,1,0,0|1,0,0]=3 344 B6R1.4 N[C@H]1CC[C@@H]1O CS-0183307 [0,1,0,1,0,0|1,0,0]=3 345 B6R1.4 N[C@H]1CC[C@H]1O CS-0784768 [0,1,0,1,0,0|1,0,0]=3 346 B6R1.4 OC1CCC1O CS-0683326 [0,1,0,1,0,0|0,0,0]=2 347 B6R1.4 O[C@@H]1CC[C@H]1O CS-0504665 [0,1,0,1,0,0|0,0,0]=2 348 B6R1.4 O[C@H]1CC[C@H]1O CS-0504664 [0,1,0,1,0,0|0,0,0]=2 349 B6R1.6 BrCC1CCO1 CS-0045505 [0,1,0,1,0,0|1,0,0]=3 350 B6R1.6 BrC[C@@H]1CCO1 CS-0310467 [0,1,0,1,0,0|1,0,0]=3 351 B6R1.6 BrC[C@H]1CCO1 CS-0530005 [0,1,0,1,0,0|1,0,0]=3 352 B6R1.6 C#CC1CCC1 CS-0183866 [0,1,0,1,0,0|2,0,0]=4 353 B6R1.6 C#CC1CNC1 CS-0102283 [0,1,0,1,0,0|2,0,0]=4 354 B6R1.6 CNC1CNC1 CS-0660718 [0,1,0,1,0,0|2,0,0]=4 355 B6R1.6 CNC1COC1 CS-W000751 [0,1,0,1,0,0|1,0,0]=3 356 B6R1.6 FCC1CCN1 CS-0056652 [0,1,0,1,0,0|2,0,0]=4 357 B6R1.6 FC[C@@H]1CCN1 CS-0056653 [0,1,0,1,0,0|2,0,0]=4 358 B6R1.6 N#CC1CSC1 CS-0309094 [0,1,0,1,0,0|1,1,0]=4 359 B6R1.6 NCC1CCN1 CS-0049914 [0,1,0,1,0,0|2,0,0]=4 360 B6R1.6 NCC1CSC1 CS-0045533 [0,1,0,1,0,0|1,1,0]=4 361 B6R1.6 NC[C@@H]1CCO1 CS-0179911 [0,1,0,1,0,0|1,0,0]=3 362 B6R1.6 NC[C@H]1CCO1 CS-0102901 [0,1,0,1,0,0|1,0,0]=3 363 B6R1.6 NNC1CNC1 CS-0321052 [0,1,0,1,0,0|2,0,0]=4 364 B6R1.6 NNC1CSC1 CS-0214884 [0,1,0,1,0,0|1,1,0]=4 365 B6R1.6 NOC1CCC1 CS-0215049 [0,1,0,1,0,0|1,0,0]=3 366 B6R1.6 OCC1CCN1 CS-0637637 [0,1,0,1,0,0|1,0,0]=3 367 B6R1.6 OCC1CSC1 CS-0045518 [0,1,0,1,0,0|0,1,0]=3 368 B6R1.6 OC[C@@H]1CCN1 CS-0148327 [0,1,0,1,0,0|1,0,0]=3 369 B6R1.6 ON=C1CCC1 CS-0261750 [0,1,0,1,0,0|1,0,1]=4 370 B6R1.7 CCC1(N)CC1 CS-0052565 [0,1,0,1,0,0|2,0,0]=4 371 B6R1.7 C[C@@]1(CO)CO1 CS-0093325 [0,1,0,1,0,0|0,0,0]=2 372 B6R1.7 NCC1(N)CC1 CS-0341934 [0,1,0,1,0,0|2,0,0]=4 373 B6R1.7 NCC1(O)CC1 CS-0457151 [0,1,0,1,0,0|1,0,0]=3 374 B6R1.7 OCC1(Br)CC1 CS-0570795 [0,1,0,1,0,0|1,0,0]=3