0 B4R0.2 BrCCCI CS-0199040 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C#CCCBr CS-0147245 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.2 C#CCCI CS-0088596 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.2 C#CCCN CS-0059198 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.2 C#CCCO CS-W001947 [0,0,0,0,0,0|0,0,2]=2 5 B4R0.2 C#CCNN CS-0934814 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 C#CCON CS-B1211 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.2 C=CCCI CS-0139149 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.2 C=CCCN CS-0028781 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.2 C=CCNN CS-0465740 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.2 C=CCON CS-0010194 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 CC#CCN CS-0307944 [0,0,0,0,0,0|1,0,2]=3 12 B4R0.2 CC#CCO CS-B1382 [0,0,0,0,0,0|0,0,2]=2 13 B4R0.2 CCCCN CS-0214149 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.2 CCCNN CS-0152064 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.2 CCNC=O CS-0187584 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.2 CCNCC CS-0160324 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.2 CCOC=N CS-0333913 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 CNCC#N CS-W002073 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 CNCCBr CS-0042068 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.2 CNCCCl CS-W019383 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.2 CNCCO CS-0542090 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.2 CNCCO CS-W008875 [0,0,0,0,0,0|1,0,0]=1 23 B4R0.2 COCC#N CS-0128800 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.2 COCCBr CS-0015336 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.2 COCCI CS-0139205 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.2 COCCO CS-0179325 [0,0,0,0,0,0|1,0,0]=1 27 B4R0.2 COCCO CS-0200432 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.2 CSCCN CS-0063136 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.2 CSCCO CS-0150086 [0,0,0,0,0,0|1,0,0]=1 30 B4R0.2 CSCSC CS-W013673 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.2 ClCCCI CS-W018493 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.2 FCCCI CS-0121313 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.2 ICCCI CS-W012156 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.2 N#CCCI CS-0243866 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.2 N#CCCN CS-D1507 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.2 N#CCCO CS-W001263 [0,0,0,0,0,0|1,0,1]=2 37 B4R0.2 NCCCBr CS-W008585 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.2 NCCCCl CS-0015792 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.2 NCCCN CS-0214047 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.2 NCCCN CS-0214116 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.2 NCCCO CS-W020089 [0,0,0,0,0,0|1,0,0]=1 42 B4R0.2 NCCON CS-M2746 [0,0,0,0,0,0|3,0,0]=3 43 B4R0.2 NOCCO CS-W011361 [0,0,0,0,0,0|2,0,0]=2 44 B4R0.2 OCCCBr CS-W007337 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.2 OCCCF CS-0170820 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.2 OCCCI CS-W015993 [0,0,0,0,0,0|1,0,0]=1 47 B4R0.2 OCCCO CS-W018490 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.2 OOO[Sr][Zr] CS-0144650 [0,0,0,0,0,0|4,0,0]=4 49 B3R0.1 CCCN CS-0079898 [1,0,0,0,0,0|1,0,0]=2 50 B3R0.1 CCCN CS-0203559 [1,0,0,0,0,0|1,0,0]=2 51 B3R0.1 CCC[O-] CS-0636169 [1,0,0,0,0,0|0,0,1]=2 52 B3R0.1 CCNC CS-0158300 [1,0,0,0,0,0|1,0,0]=2 53 B3R0.1 CCNN CS-0151959 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.1 CCNN CS-0160233 [1,0,0,0,0,0|2,0,0]=3 55 B3R0.1 CCNO CS-0370696 [1,0,0,0,0,0|1,0,0]=2 56 B3R0.1 CCON CS-0017502 [1,0,0,0,0,0|2,0,0]=3 57 B3R0.1 CCON CS-W011335 [1,0,0,0,0,0|2,0,0]=3 58 B3R0.1 CNNC CS-0530458 [1,0,0,0,0,0|2,0,0]=3 59 B3R0.1 CNOC CS-D1361 [1,0,0,0,0,0|2,0,0]=3 60 B3R0.1 C[Se][Se]C CS-0199215 [1,0,0,0,0,0|2,0,0]=3 61 B3R0.1 ICCI CS-0143351 [1,0,0,0,0,0|2,0,0]=3 62 B3R0.1 N#CCI CS-W016050 [1,0,0,0,0,0|2,0,1]=4 63 B3R0.1 N#CCN CS-W013739 [1,0,0,0,0,0|2,0,1]=4 64 B3R0.1 NCCBr CS-W008659 [1,0,0,0,0,0|2,0,0]=3 65 B3R0.1 NCCCl CS-W013617 [1,0,0,0,0,0|2,0,0]=3 66 B3R0.1 NCCF CS-W007788 [1,0,0,0,0,0|2,0,0]=3 67 B3R0.1 NCCO CS-0088236 [1,0,0,0,0,0|1,0,0]=2 68 B3R0.1 NCCS CS-2800 [1,0,0,0,0,0|1,1,0]=3 69 B3R0.1 O=BOO CS-0013869 [1,0,0,0,0,0|3,0,0]=4 70 B3R0.1 OCCI CS-W017637 [1,0,0,0,0,0|1,0,0]=2 71 B3R0.1 OCCO CS-0015059 [1,0,0,0,0,0|1,0,0]=2 72 B3R0.1 OCCO CS-0015844 [1,0,0,0,0,0|1,0,0]=2 73 B3R0.1 OCCO CS-0676146 [1,0,0,0,0,0|1,0,0]=2 74 B3R0.1 OCCO CS-0864542 [1,0,0,0,0,0|1,0,0]=2 75 B3R0.1 OCCO CS-0907650 [1,0,0,0,0,0|1,0,0]=2 76 B3R0.1 OCCO CS-0998158 [1,0,0,0,0,0|1,0,0]=2 77 B3R0.1 OCCO CS-1053456 [1,0,0,0,0,0|1,0,0]=2 78 B3R0.1 OOOP CS-0166639 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.1 C#CCC(=O)O CS-W004784 [0,1,0,0,0,0|0,0,3]=4 80 B5R0.1 C=CCC(=O)O CS-0069849 [0,1,0,0,0,0|0,0,3]=4 81 B5R0.1 C=CC[C@H](C)O CS-0081915 [0,1,0,0,0,0|0,0,2]=3 82 B5R0.1 CC#CC(=O)O CS-W007936 [0,1,0,0,0,0|0,0,3]=4 83 B5R0.1 CC(=O)CCCl CS-W022162 [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 CC(=O)CCN CS-0209803 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.1 CC(=O)NCO CS-0061075 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.1 CC(=O)OCBr CS-0090812 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.1 CC(=O)OCCl CS-0139458 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.1 CC(C)=CCCl CS-0204351 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.1 CC(C)=CCN CS-0236946 [0,1,0,0,0,0|1,0,2]=4 90 B5R0.1 CC(C)=CCO CS-W013751 [0,1,0,0,0,0|0,0,2]=3 91 B5R0.1 CC(C)CNN CS-0067938 [0,1,0,0,0,0|2,0,0]=3 92 B5R0.1 CC(C)CON CS-0136014 [0,1,0,0,0,0|2,0,0]=3 93 B5R0.1 CC(C)\C=N\O CS-W000111 [0,1,0,0,0,0|1,0,1]=3 94 B5R0.1 CC(N)CCO CS-W004841 [0,1,0,0,0,0|0,0,0]=1 95 B5R0.1 CC(O)CC#N CS-0261013 [0,1,0,0,0,0|1,0,1]=3 96 B5R0.1 CC(O)CCBr CS-0142519 [0,1,0,0,0,0|1,0,0]=2 97 B5R0.1 CC(O)CCO CS-0115644 [0,1,0,0,0,0|0,0,0]=1 98 B5R0.1 CCCB(O)O CS-W007470 [0,1,0,0,0,0|1,0,0]=2 99 B5R0.1 CCCC(=N)N CS-W013544 [0,1,0,0,0,0|1,0,1]=3 100 B5R0.1 CCCC(=O)O CS-0977378 [0,1,0,0,0,0|0,0,1]=2 101 B5R0.1 CCCC(N)=O CS-0130522 [0,1,0,0,0,0|0,0,2]=3 102 B5R0.1 CCC[C@@H](C)N CS-0162182 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.1 CCC[C@H](C)N CS-W006528 [0,1,0,0,0,0|1,0,0]=2 104 B5R0.1 CCNC(N)=O CS-W011351 [0,1,0,0,0,0|1,0,2]=4 105 B5R0.1 CCNC(N)=S CS-0180914 [0,1,0,0,0,0|1,1,1]=4 106 B5R0.1 CCOC(=N)N CS-W019160 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.1 CCOC(C)=N CS-W008601 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.1 CCOC(N)=O CS-4731 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.1 CCSC(=N)N CS-0021039 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.1 CN(C)CCBr CS-W004693 [0,1,0,0,0,0|2,0,0]=3 111 B5R0.1 CNCC(=O)O CS-W013507 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.1 CNCC(=O)O CS-W018511 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.1 CNCC(C)O CS-0216704 [0,1,0,0,0,0|1,0,0]=2 114 B5R0.1 CNCC(N)=O CS-W011178 [0,1,0,0,0,0|1,0,2]=4 115 B5R0.1 COCC(=N)N CS-W003564 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.1 COCC(=O)O CS-W020123 [0,1,0,0,0,0|1,0,1]=3 117 B5R0.1 COC[C@@H](C)N CS-W019198 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.1 COC[C@H](C)N CS-0148795 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.1 COC[C@H](C)O CS-0031378 [0,1,0,0,0,0|1,0,0]=2 120 B5R0.1 CSCC(=O)O CS-0015159 [0,1,0,0,0,0|1,0,1]=3 121 B5R0.1 CSCC(N)=O CS-0150088 [0,1,0,0,0,0|1,0,2]=4 122 B5R0.1 CSCS(C)=O CS-0146450 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.1 C[C@@H](N)CC#N CS-0127883 [0,1,0,0,0,0|1,0,1]=3 124 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,1,0,0,0,0|0,0,0]=1 125 B5R0.1 C[C@@H](O)CCO CS-M1638 [0,1,0,0,0,0|0,0,0]=1 126 B5R0.1 C[C@H](N)CC#N CS-0127884 [0,1,0,0,0,0|1,0,1]=3 127 B5R0.1 C[C@H](N)CCO CS-W019851 [0,1,0,0,0,0|0,0,0]=1 128 B5R0.1 C[C@H](O)CCO CS-W016671 [0,1,0,0,0,0|0,0,0]=1 129 B5R0.1 C\C=C\B(O)O CS-0086306 [0,1,0,0,0,0|1,0,2]=4 130 B5R0.1 C\C=C\C(=O)O CS-0017976 [0,1,0,0,0,0|0,0,3]=4 131 B5R0.1 N=C(O)CCN CS-W007497 [0,1,0,0,0,0|1,0,1]=3 132 B5R0.1 NC(=O)CCBr CS-0046169 [0,1,0,0,0,0|1,0,2]=4 133 B5R0.1 NC(=O)CCCl CS-0204808 [0,1,0,0,0,0|1,0,2]=4 134 B5R0.1 NC(=O)CCO CS-0205185 [0,1,0,0,0,0|1,0,1]=3 135 B5R0.1 NCCC(=O)O CS-0668359 [0,1,0,0,0,0|1,0,1]=3 136 B5R0.1 NCCC(=O)O CS-W020126 [0,1,0,0,0,0|1,0,1]=3 137 B5R0.1 NCCS(=O)O CS-6985 [0,1,0,0,0,0|2,0,0]=3 138 B5R0.1 NOCC(=O)O CS-8158 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.1 O=C(O)CCF CS-0038385 [0,1,0,0,0,0|1,0,1]=3 140 B5R0.1 O=C(O)CCI CS-0204563 [0,1,0,0,0,0|1,0,1]=3 141 B5R0.1 O=C(O)CCO CS-0147832 [0,1,0,0,0,0|1,0,1]=3 142 B5R0.1 O=[N+]([O-])CCO CS-W013741 [0,1,0,0,0,0|2,0,0]=3 143 B5R0.1 OCCC(F)F CS-0185412 [0,1,0,0,0,0|1,0,0]=2 144 B5R0.2 BrCCCCBr CS-W020631 [0,1,0,0,0,0|1,0,0]=2 145 B5R0.2 BrC\C=C\CBr CS-0005942 [0,1,0,0,0,0|1,0,2]=4 146 B5R0.2 BrC\C=C\CBr CS-0017873 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.2 C#CCCC#N CS-0012101 [0,1,0,0,0,0|1,0,2]=4 148 B5R0.2 C#CCCCBr CS-0147349 [0,1,0,0,0,0|1,0,1]=3 149 B5R0.2 C#CCCCCl CS-W009550 [0,1,0,0,0,0|1,0,1]=3 150 B5R0.2 C#CCCCI CS-0088561 [0,1,0,0,0,0|1,0,1]=3 151 B5R0.2 C#CCCCN CS-0038434 [0,1,0,0,0,0|1,0,1]=3 152 B5R0.2 C#CCCCO CS-W011358 [0,1,0,0,0,0|0,0,1]=2 153 B5R0.2 C=CCCCI CS-0135974 [0,1,0,0,0,0|1,0,1]=3 154 B5R0.2 C=CCCNC CS-0197692 [0,1,0,0,0,0|1,0,1]=3 155 B5R0.2 CCC#CCBr CS-0188171 [0,1,0,0,0,0|1,0,1]=3 156 B5R0.2 CCC#CCO CS-0143646 [0,1,0,0,0,0|0,0,1]=2 157 B5R0.2 CCCCON CS-0106180 [0,1,0,0,0,0|0,0,0]=1 158 B5R0.2 CCNCCO CS-0076051 [0,1,0,0,0,0|0,0,0]=1 159 B5R0.2 CCSCCN CS-0663845 [0,1,0,0,0,0|1,0,0]=2 160 B5R0.2 CC\C=C\C=O CS-0173472 [0,1,0,0,0,0|0,0,3]=4 161 B5R0.2 CNCCC#N CS-W011357 [0,1,0,0,0,0|1,0,1]=3 162 B5R0.2 CNCCCCl CS-0150991 [0,1,0,0,0,0|1,0,0]=2 163 B5R0.2 CNCCCO CS-W007469 [0,1,0,0,0,0|0,0,0]=1 164 B5R0.2 COCCC#N CS-0030563 [0,1,0,0,0,0|1,0,1]=3 165 B5R0.2 COCCCBr CS-W010945 [0,1,0,0,0,0|1,0,0]=2 166 B5R0.2 COCCNN CS-0249520 [0,1,0,0,0,0|2,0,0]=3 167 B5R0.2 CSCCCO CS-0015993 [0,1,0,0,0,0|0,0,0]=1 168 B5R0.2 C\C=C\CCO CS-0162245 [0,1,0,0,0,0|0,0,1]=2 169 B5R0.2 ClCC#CCCl CS-W013542 [0,1,0,0,0,0|1,0,2]=4 170 B5R0.2 ClCCCCBr CS-W017647 [0,1,0,0,0,0|1,0,0]=2 171 B5R0.2 ClCCCCI CS-W019348 [0,1,0,0,0,0|1,0,0]=2 172 B5R0.2 FCCCCBr CS-W018025 [0,1,0,0,0,0|1,0,0]=2 173 B5R0.2 ICCCCI CS-W004871 [0,1,0,0,0,0|1,0,0]=2 174 B5R0.2 N#CCCCBr CS-W004123 [0,1,0,0,0,0|1,0,1]=3 175 B5R0.2 N#CCCCCl CS-D1161 [0,1,0,0,0,0|1,0,1]=3 176 B5R0.2 N#CCCNN CS-W001874 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.2 NCC#CCN CS-0073026 [0,1,0,0,0,0|1,0,2]=4 178 B5R0.2 NCCCCBr CS-W005399 [0,1,0,0,0,0|1,0,0]=2 179 B5R0.2 NCCCCCl CS-0158355 [0,1,0,0,0,0|1,0,0]=2 180 B5R0.2 NCCCCO CS-W002041 [0,1,0,0,0,0|0,0,0]=1 181 B5R0.2 NC\C=C/CCl CS-M0797 [0,1,0,0,0,0|1,0,2]=4 182 B5R0.2 NC\C=C/CN CS-WAA0092 [0,1,0,0,0,0|1,0,2]=4 183 B5R0.2 NC\C=C\CN CS-0374306 [0,1,0,0,0,0|1,0,2]=4 184 B5R0.2 NOCCON CS-0070013 [0,1,0,0,0,0|2,0,0]=3 185 B5R0.2 NOC\C=C\Cl CS-0186105 [0,1,0,0,0,0|1,0,2]=4 186 B5R0.2 OCC#CCCl CS-0262802 [0,1,0,0,0,0|0,0,2]=3 187 B5R0.2 OCCCCBr CS-W000344 [0,1,0,0,0,0|0,0,0]=1 188 B5R0.2 OCCCCCl CS-0022417 [0,1,0,0,0,0|0,0,0]=1 189 B5R0.2 OCCCCF CS-0116811 [0,1,0,0,0,0|0,0,0]=1 190 B5R0.2 OCCNCO CS-0203827 [0,1,0,0,0,0|1,0,0]=2 191 B5R0.2 OC\C=C\CO CS-0130476 [0,1,0,0,0,0|0,0,2]=3 192 B5R0.2 OC\C=C\CO CS-B0322 [0,1,0,0,0,0|0,0,2]=3 193 B5R0.2 [N-]=[N+]=NCCN CS-0644784 [0,1,0,0,0,0|3,0,0]=4 194 B5R0.3 C=C(CCl)CCl CS-W011177 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.3 C=C(CO)CO CS-W009247 [0,1,0,0,0,0|1,0,1]=3 196 B5R0.3 C=CC(O)CO CS-W016675 [0,1,0,0,0,0|0,0,2]=3 197 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,1,0,0,0,0|0,0,2]=3 198 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,1,0,0,0,0|0,0,2]=3 199 B5R0.3 CC(CBr)CBr CS-0154074 [0,1,0,0,0,0|2,0,0]=3 200 B5R0.3 CC(CCl)CBr CS-0204235 [0,1,0,0,0,0|2,0,0]=3 201 B5R0.3 CC(CN)CO CS-0447291 [0,1,0,0,0,0|1,0,0]=2 202 B5R0.3 CC(CO)CBr CS-0139638 [0,1,0,0,0,0|1,0,0]=2 203 B5R0.3 CC(CO)CO CS-0021060 [0,1,0,0,0,0|1,0,0]=2 204 B5R0.3 CCC(=N)NO CS-D0340 [0,1,0,0,0,0|1,0,1]=3 205 B5R0.3 CCC(=O)CBr CS-0131119 [0,1,0,0,0,0|1,0,1]=3 206 B5R0.3 CCC(=O)CN CS-W005374 [0,1,0,0,0,0|1,0,1]=3 207 B5R0.3 CCC(=O)CO CS-W005327 [0,1,0,0,0,0|0,0,1]=2 208 B5R0.3 CCC(=O)NC CS-0179730 [0,1,0,0,0,0|2,0,1]=4 209 B5R0.3 CCC(=O)NN CS-0206618 [0,1,0,0,0,0|2,0,1]=4 210 B5R0.3 CCC(=O)O[K] CS-0019431 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.3 CCC(=O)O[Na] CS-0013802 [0,1,0,0,0,0|2,0,1]=4 212 B5R0.3 CCC(Br)CC CS-0015742 [0,1,0,0,0,0|1,0,0]=2 213 B5R0.3 CCC(C)C#N CS-0648856 [0,1,0,0,0,0|1,0,1]=3 214 B5R0.3 CCC(C)C#N CS-0649016 [0,1,0,0,0,0|1,0,1]=3 215 B5R0.3 CCC(C)C#N CS-0649019 [0,1,0,0,0,0|1,0,1]=3 216 B5R0.3 CCC(N)C#N CS-0197521 [0,1,0,0,0,0|1,0,1]=3 217 B5R0.3 CCC(N)CC CS-0128806 [0,1,0,0,0,0|1,0,0]=2 218 B5R0.3 CCC(O)CC CS-0128838 [0,1,0,0,0,0|1,0,0]=2 219 B5R0.3 CCC(O)CN CS-0109319 [0,1,0,0,0,0|1,0,0]=2 220 B5R0.3 CCS(=O)CC CS-0199213 [0,1,0,0,0,0|2,0,0]=3 221 B5R0.3 CCS(=O)O[Na] CS-0020098 [0,1,0,0,0,0|3,0,0]=4 222 B5R0.3 CC[C@@H](C)CBr CS-0539690 [0,1,0,0,0,0|1,0,0]=2 223 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,1,0,0,0,0|0,0,0]=1 224 B5R0.3 CC[C@H](C)CO CS-0139702 [0,1,0,0,0,0|0,0,0]=1 225 B5R0.3 CC[C@H](N)CO CS-W013745 [0,1,0,0,0,0|0,0,0]=1 226 B5R0.3 CC[C@H](O)CO CS-0031373 [0,1,0,0,0,0|0,0,0]=1 227 B5R0.3 CNC(=O)CBr CS-0023001 [0,1,0,0,0,0|2,0,1]=4 228 B5R0.3 CNC(=O)CCl CS-W007769 [0,1,0,0,0,0|2,0,1]=4 229 B5R0.3 CNC(=O)CI CS-0244983 [0,1,0,0,0,0|2,0,1]=4 230 B5R0.3 CNC(=O)CN CS-0008246 [0,1,0,0,0,0|2,0,1]=4 231 B5R0.3 CNC(=O)CN CS-0130384 [0,1,0,0,0,0|2,0,1]=4 232 B5R0.3 CNC(C)CO CS-0197105 [0,1,0,0,0,0|1,0,0]=2 233 B5R0.3 CN[C@@H](C)CO CS-0139480 [0,1,0,0,0,0|1,0,0]=2 234 B5R0.3 CN[C@@H](C)CO CS-0162089 [0,1,0,0,0,0|1,0,0]=2 235 B5R0.3 CN[C@H](C)CO CS-0162211 [0,1,0,0,0,0|1,0,0]=2 236 B5R0.3 COC(=N)CCl CS-0150960 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.3 COC(=O)CI CS-0235696 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.3 COC(=O)CN CS-W018508 [0,1,0,0,0,0|2,0,1]=4 239 B5R0.3 COC(=O)CO CS-W004068 [0,1,0,0,0,0|1,0,1]=3 240 B5R0.3 COC(C)C#N CS-0372147 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.3 CO[C@@H](C)CN CS-W021167 [0,1,0,0,0,0|2,0,0]=3 242 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,1,0,0,0,0|1,0,0]=2 243 B5R0.3 CO[C@H](C)CN CS-0148788 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.3 CO[C@H](C)CN CS-0613352 [0,1,0,0,0,0|2,0,0]=3 245 B5R0.3 CO[C@H](C)CO CS-W011349 [0,1,0,0,0,0|1,0,0]=2 246 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,1,0,0,0,0|1,0,0]=2 247 B5R0.3 NC(CO)CO CS-W007357 [0,1,0,0,0,0|1,0,0]=2 248 B5R0.3 NC(CO)CO CS-W011141 [0,1,0,0,0,0|1,0,0]=2 249 B5R0.3 NCC(O)CCl CS-W006320 [0,1,0,0,0,0|2,0,0]=3 250 B5R0.3 NCC(O)CN CS-W007600 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.3 NCC(O)CO CS-W002040 [0,1,0,0,0,0|1,0,0]=2 252 B5R0.3 NC[C@@H](F)CO CS-0053486 [0,1,0,0,0,0|1,0,0]=2 253 B5R0.3 NC[C@@H](O)CCl CS-0162224 [0,1,0,0,0,0|2,0,0]=3 254 B5R0.3 NC[C@@H](O)CO CS-W002683 [0,1,0,0,0,0|1,0,0]=2 255 B5R0.3 NC[C@H](F)CO CS-0053431 [0,1,0,0,0,0|1,0,0]=2 256 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,1,0,0,0,0|2,0,0]=3 257 B5R0.3 NNC(=O)CO CS-W006527 [0,1,0,0,0,0|2,0,1]=4 258 B5R0.3 O=C(CBr)CBr CS-W020932 [0,1,0,0,0,0|2,0,1]=4 259 B5R0.3 O=C(CO)CO CS-W019614 [0,1,0,0,0,0|1,0,1]=3 260 B5R0.3 O=CC(O)CO CS-0102543 [0,1,0,0,0,0|1,0,1]=3 261 B5R0.3 O=S(CO)O[Na] CS-0046582 [0,1,0,0,0,0|3,0,0]=4 262 B5R0.3 OC(CBr)CBr CS-W014808 [0,1,0,0,0,0|2,0,0]=3 263 B5R0.3 OCC(Cl)CO CS-0640889 [0,1,0,0,0,0|1,0,0]=2 264 B5R0.3 OCC(O)CBr CS-W018026 [0,1,0,0,0,0|1,0,0]=2 265 B5R0.3 OCC(O)CO CS-6964 [0,1,0,0,0,0|1,0,0]=2 266 B5R0.3 OCC(O)CS CS-W011288 [0,1,0,0,0,0|1,0,0]=2 267 B5R0.3 OCC(S)CS CS-0013059 [0,1,0,0,0,0|1,0,0]=2 268 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,1,0,0,0,0|1,0,0]=2 269 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,1,0,0,0,0|0,0,0]=1 270 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,1,0,0,0,0|1,0,0]=2 271 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,1,0,0,0,0|1,0,0]=2 272 B5R1.1 C1=CCNC1 CS-W016634 [0,0,0,1,0,0|1,0,2]=4 273 B5R1.1 C1CCNC1 CS-0162629 [0,0,0,1,0,0|1,0,0]=2 274 B5R1.1 C1CNNC1 CS-0210819 [0,0,0,1,0,0|2,0,0]=3 275 B5R1.1 C1CNOC1 CS-0179756 [0,0,0,1,0,0|1,0,0]=2 276 B5R1.1 C1CSCN1 CS-0006687 [0,0,0,1,0,0|1,1,0]=3 277 B5R1.1 C1CSCN1 CS-M1684 [0,0,0,1,0,0|1,1,0]=3 278 B5R1.2 BrC1CCC1 CS-0044363 [0,0,0,1,0,0|1,0,0]=2 279 B5R1.2 BrC1CNC1 CS-0051440 [0,0,0,1,0,0|2,0,0]=3 280 B5R1.2 BrC1COC1 CS-D1251 [0,0,0,1,0,0|2,0,0]=3 281 B5R1.2 CC1CCN1 CS-0051841 [0,0,0,1,0,0|1,0,0]=2 282 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|2,0,0]=3 283 B5R1.2 C[C@@H]1CCN1 CS-0100346 [0,0,0,1,0,0|1,0,0]=2 284 B5R1.2 ClC1CNC1 CS-0051403 [0,0,0,1,0,0|2,0,0]=3 285 B5R1.2 FC1CNC1 CS-W001606 [0,0,0,1,0,0|2,0,0]=3 286 B5R1.2 IC1COC1 CS-W017022 [0,0,0,1,0,0|2,0,0]=3 287 B5R1.2 NC1CCC1 CS-0006655 [0,0,0,1,0,0|1,0,0]=2 288 B5R1.2 NC1CNC1 CS-W022573 [0,0,0,1,0,0|2,0,0]=3 289 B5R1.2 NC1COC1 CS-W018946 [0,0,0,1,0,0|2,0,0]=3 290 B5R1.2 NC1CSC1 CS-0045517 [0,0,0,1,0,0|2,0,0]=3 291 B5R1.2 O=C1CCN1 CS-W011364 [0,0,0,1,0,0|1,0,2]=4 292 B5R1.2 O=C1CNC1 CS-W019264 [0,0,0,1,0,0|1,0,2]=4 293 B5R1.2 O=C1COC1 CS-M1912 [0,0,0,1,0,0|1,0,2]=4 294 B5R1.2 O=C1CSC1 CS-B0978 [0,0,0,1,0,0|1,0,2]=4 295 B5R1.2 OC1CCC1 CS-W013758 [0,0,0,1,0,0|0,0,0]=1 296 B5R1.2 OC1CNC1 CS-0084651 [0,0,0,1,0,0|1,0,0]=2 297 B5R1.2 OC1CNC1 CS-D0673 [0,0,0,1,0,0|1,0,0]=2 298 B5R1.2 OC1COC1 CS-W007362 [0,0,0,1,0,0|1,0,0]=2 299 B5R1.2 OC1CSC1 CS-0045447 [0,0,0,1,0,0|1,0,0]=2 300 B5R1.3 BrCC1CC1 CS-W020194 [0,0,0,1,0,0|1,0,0]=2 301 B5R1.3 CNC1CC1 CS-W019814 [0,0,0,1,0,0|2,0,0]=3 302 B5R1.3 ClCC1CS1 CS-0232950 [0,0,0,1,0,0|1,1,0]=3 303 B5R1.3 ICC1CC1 CS-0056033 [0,0,0,1,0,0|1,0,0]=2 304 B5R1.3 NCC1CC1 CS-0132848 [0,0,0,1,0,0|1,0,0]=2 305 B5R1.3 NNC1CC1 CS-B1049 [0,0,0,1,0,0|2,0,0]=3 306 B5R1.3 NNC1CC1 CS-W000619 [0,0,0,1,0,0|2,0,0]=3 307 B5R1.3 OCC1CO1 CS-0016001 [0,0,0,1,0,0|1,0,0]=2 308 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [0,0,0,1,0,0|2,0,0]=3 309 B5R1.4 N[C@@H]1C[C@H]1F CS-0143339 [0,0,0,1,0,0|2,0,0]=3 310 B5R1.4 N[C@H]1C[C@H]1F CS-0143340 [0,0,0,1,0,0|2,0,0]=3 311 B2R0.1 BrCI CS-0188364 [2,0,0,0,0,0|2,0,0]=4 312 B2R0.1 C=CO CS-0015822 [2,0,0,0,0,0|0,0,2]=4 313 B2R0.1 CNC CS-0214151 [2,0,0,0,0,0|1,0,0]=3 314 B2R0.1 CNN CS-W022891 [2,0,0,0,0,0|2,0,0]=4 315 B2R0.1 CNO CS-W007348 [2,0,0,0,0,0|1,0,0]=3 316 B2R0.1 CON CS-W020192 [2,0,0,0,0,0|2,0,0]=4 317 B2R0.1 C[BiH]C CS-0085798 [2,0,0,0,0,0|1,0,0]=3 318 B2R0.1 C[Pd]C CS-1098490 [2,0,0,0,0,0|1,0,0]=3 319 B2R0.1 C[Pd]C CS-W002072 [2,0,0,0,0,0|1,0,0]=3 320 B2R0.1 C[SnH2]C CS-0199194 [2,0,0,0,0,0|1,0,0]=3 321 B2R0.1 ClCI CS-0015110 [2,0,0,0,0,0|2,0,0]=4 322 B2R0.1 O=CO CS-0205410 [2,0,0,0,0,0|1,0,1]=4 323 B2R0.1 O[Ni]O CS-0089243 [2,0,0,0,0,0|2,0,0]=4 324 B2R0.1 O[Zn]O CS-0635439 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 C#CC(C)N CS-0072301 [1,1,0,0,0,0|0,0,2]=4 326 B4R0.1 C#C[C@H](C)N CS-0147130 [1,1,0,0,0,0|0,0,2]=4 327 B4R0.1 C#C[C@H](C)O CS-0127970 [1,1,0,0,0,0|0,0,2]=4 328 B4R0.1 C=C(C)CN CS-0204398 [1,1,0,0,0,0|1,0,1]=4 329 B4R0.1 C=CC(C)N CS-0173225 [1,1,0,0,0,0|0,0,2]=4 330 B4R0.1 CC(=N)NO CS-W008635 [1,1,0,0,0,0|1,0,1]=4 331 B4R0.1 CC(=O)CN CS-W004850 [1,1,0,0,0,0|1,0,1]=4 332 B4R0.1 CC(=O)CO CS-0017823 [1,1,0,0,0,0|0,0,1]=3 333 B4R0.1 CC(=O)NO CS-4881 [1,1,0,0,0,0|1,0,1]=4 334 B4R0.1 CC(Br)C#N CS-0020094 [1,1,0,0,0,0|1,0,1]=4 335 B4R0.1 CC(Br)CO CS-0061061 [1,1,0,0,0,0|0,0,0]=2 336 B4R0.1 CC(C)=NO CS-W009556 [1,1,0,0,0,0|1,0,1]=4 337 B4R0.1 CC(C)CN CS-0154223 [1,1,0,0,0,0|1,0,0]=3 338 B4R0.1 CC(C)CN CS-0214073 [1,1,0,0,0,0|1,0,0]=3 339 B4R0.1 CC(C)NO CS-W022923 [1,1,0,0,0,0|1,0,0]=3 340 B4R0.1 CC(C)ON CS-W008733 [1,1,0,0,0,0|2,0,0]=4 341 B4R0.1 CC(N)C#N CS-0095478 [1,1,0,0,0,0|1,0,1]=4 342 B4R0.1 CC(N)CCl CS-0161780 [1,1,0,0,0,0|1,0,0]=3 343 B4R0.1 CC(N)CF CS-0107816 [1,1,0,0,0,0|1,0,0]=3 344 B4R0.1 CC(N)CO CS-W018531 [1,1,0,0,0,0|0,0,0]=2 345 B4R0.1 CC(O)CBr CS-0063182 [1,1,0,0,0,0|1,0,0]=3 346 B4R0.1 CC(O)CN CS-W016685 [1,1,0,0,0,0|1,0,0]=3 347 B4R0.1 CC(O)CO CS-0015917 [1,1,0,0,0,0|0,0,0]=2 348 B4R0.1 CCB(O)O CS-W000933 [1,1,0,0,0,0|1,0,0]=3 349 B4R0.1 CCC(=N)N CS-W019290 [1,1,0,0,0,0|1,0,1]=4 350 B4R0.1 CCC(=N)S CS-W016672 [1,1,0,0,0,0|0,1,1]=4 351 B4R0.1 CCC(N)=O CS-W016688 [1,1,0,0,0,0|0,0,2]=4 352 B4R0.1 CC[C@@H](C)N CS-0379054 [1,1,0,0,0,0|0,0,0]=2 353 B4R0.1 CC[C@@H](C)O CS-0128797 [1,1,0,0,0,0|0,0,0]=2 354 B4R0.1 CC[C@H](C)N CS-0084847 [1,1,0,0,0,0|0,0,0]=2 355 B4R0.1 CNC(C)=O CS-0031873 [1,1,0,0,0,0|1,0,1]=4 356 B4R0.1 CNN(C)C CS-M2145 [1,1,0,0,0,0|2,0,0]=4 357 B4R0.1 C[C@@H](Cl)CO CS-0186126 [1,1,0,0,0,0|0,0,0]=2 358 B4R0.1 C[C@@H](N)CF CS-0104382 [1,1,0,0,0,0|1,0,0]=3 359 B4R0.1 C[C@@H](N)CN CS-W018220 [1,1,0,0,0,0|1,0,0]=3 360 B4R0.1 C[C@@H](N)CO CS-W011362 [1,1,0,0,0,0|0,0,0]=2 361 B4R0.1 C[C@@H](O)CN CS-W002295 [1,1,0,0,0,0|1,0,0]=3 362 B4R0.1 C[C@@H](O)CO CS-W020032 [1,1,0,0,0,0|0,0,0]=2 363 B4R0.1 C[C@H](N)CF CS-0090252 [1,1,0,0,0,0|1,0,0]=3 364 B4R0.1 C[C@H](N)CO CS-B1303 [1,1,0,0,0,0|0,0,0]=2 365 B4R0.1 C[C@H](O)CN CS-W019029 [1,1,0,0,0,0|1,0,0]=3 366 B4R0.1 C[C@H](O)CO CS-0011520 [1,1,0,0,0,0|0,0,0]=2 367 B4R0.1 NC(=O)CO CS-W016686 [1,1,0,0,0,0|1,0,1]=4 368 B4R0.1 NCC(=O)O CS-0158475 [1,1,0,0,0,0|1,0,1]=4 369 B4R0.1 NCC(=O)O CS-0187433 [1,1,0,0,0,0|1,0,1]=4 370 B4R0.1 NCC(=O)O CS-B1641 [1,1,0,0,0,0|1,0,1]=4 371 B4R0.1 NCC(F)F CS-0121259 [1,1,0,0,0,0|2,0,0]=4 372 B4R0.1 [C@@H](C)(Cl)CO CS-W016664 [1,1,0,0,0,0|0,0,0]=2 373 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,1,0,0,0,0|1,0,0]=3 374 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,1,0,0,0,0|1,0,0]=3 375 B6R0.1 C#CC(O)CCC CS-W016658 [0,2,0,0,0,0|0,0,0]=2 376 B6R0.1 C=CCC(N)CO CS-0197807 [0,2,0,0,0,0|0,0,1]=3 377 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [0,2,0,0,0,0|0,0,1]=3 378 B6R0.1 CC(CO)CCN CS-0154050 [0,2,0,0,0,0|0,0,0]=2 379 B6R0.1 CC(CO)CCO CS-0517219 [0,2,0,0,0,0|0,0,0]=2 380 B6R0.1 CCC(=O)COC CS-0213932 [0,2,0,0,0,0|0,0,1]=3 381 B6R0.1 CCCC(=O)NN CS-0152447 [0,2,0,0,0,0|0,0,2]=4 382 B6R0.1 CCCC(Cl)CC CS-0102884 [0,2,0,0,0,0|1,0,0]=3 383 B6R0.1 CCCC(N)C#N CS-0255763 [0,2,0,0,0,0|1,0,0]=3 384 B6R0.1 CCCC(O)CO CS-0017222 [0,2,0,0,0,0|0,0,0]=2 385 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,2,0,0,0,0|0,0,0]=2 386 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,2,0,0,0,0|0,0,0]=2 387 B6R0.1 CCNC(=O)CBr CS-0239382 [0,2,0,0,0,0|1,0,1]=4 388 B6R0.1 CCOC(=O)CN CS-W020007 [0,2,0,0,0,0|1,0,1]=4 389 B6R0.1 CCOC(=O)CO CS-W019892 [0,2,0,0,0,0|0,0,1]=3 390 B6R0.1 CCOC(C)CC CS-0196425 [0,2,0,0,0,0|1,0,0]=3 391 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,2,0,0,0,0|1,0,1]=4 392 B6R0.1 CNC(=O)CCCl CS-0143787 [0,2,0,0,0,0|1,0,1]=4 393 B6R0.1 CNC(=O)CCO CS-0188403 [0,2,0,0,0,0|0,0,1]=3 394 B6R0.1 CNC(C)COC CS-0301311 [0,2,0,0,0,0|1,0,0]=3 395 B6R0.1 CNCC(=O)O[Na] CS-0077129 [0,2,0,0,0,0|1,0,1]=4 396 B6R0.1 CNCC(O)CO CS-0151017 [0,2,0,0,0,0|0,0,0]=2 397 B6R0.1 COC(=O)CCBr CS-W008728 [0,2,0,0,0,0|1,0,1]=4 398 B6R0.1 COC(=O)CCCl CS-0131786 [0,2,0,0,0,0|1,0,1]=4 399 B6R0.1 COC(=O)CCI CS-0615889 [0,2,0,0,0,0|1,0,1]=4 400 B6R0.1 COC(=O)CCN CS-W007648 [0,2,0,0,0,0|1,0,1]=4 401 B6R0.1 COC(=O)CCO CS-0022864 [0,2,0,0,0,0|0,0,1]=3 402 B6R0.1 COC(=O)CCS CS-0000049 [0,2,0,0,0,0|0,1,1]=4 403 B6R0.1 COC(C)CCO CS-W013686 [0,2,0,0,0,0|0,0,0]=2 404 B6R0.1 COCC(N)CO CS-0106469 [0,2,0,0,0,0|0,0,0]=2 405 B6R0.1 COCC(O)CN CS-0106474 [0,2,0,0,0,0|1,0,0]=3 406 B6R0.1 N#CC[C@H](O)CCl CS-0096879 [0,2,0,0,0,0|1,0,1]=4 407 B6R0.1 O=C(CCl)NCO CS-0147071 [0,2,0,0,0,0|1,0,1]=4 408 B6R0.1 OCCC(O)CO CS-0008443 [0,2,0,0,0,0|0,0,0]=2 409 B6R0.1 OCC[C@H](O)CO CS-0000034 [0,2,0,0,0,0|0,0,0]=2 410 B6R0.1 [C@H](O)(CCl)CC#N CS-W016583 [0,2,0,0,0,0|1,0,1]=4 411 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,2,0,0,0,0|0,0,2]=4 412 B6R0.2 CC(C)CB(O)O CS-W000978 [0,2,0,0,0,0|1,0,0]=3 413 B6R0.2 CC(C)CC(=O)O CS-0881782 [0,2,0,0,0,0|0,0,1]=3 414 B6R0.2 CC(C)CC(=O)O CS-W013696 [0,2,0,0,0,0|0,0,1]=3 415 B6R0.2 CC(C)CC(N)=S CS-0642935 [0,2,0,0,0,0|0,1,1]=4 416 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [0,2,0,0,0,0|0,0,0]=2 417 B6R0.2 CC(C)NC(C)C CS-0468828 [0,2,0,0,0,0|2,0,0]=4 418 B6R0.2 CC(C)NC(C)C CS-B1708 [0,2,0,0,0,0|2,0,0]=4 419 B6R0.2 CC(Cl)CN(C)C CS-0128777 [0,2,0,0,0,0|2,0,0]=4 420 B6R0.2 CC(N)CC(=O)O CS-W009549 [0,2,0,0,0,0|0,0,1]=3 421 B6R0.2 CC(O)CC(=O)O CS-0062335 [0,2,0,0,0,0|0,0,1]=3 422 B6R0.2 CC(O)CC(C)O CS-0377993 [0,2,0,0,0,0|0,0,0]=2 423 B6R0.2 CC(O)CC(N)=O CS-0435186 [0,2,0,0,0,0|0,0,2]=4 424 B6R0.2 CN(C)CC(=O)O CS-D1391 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.2 CN(C)CC(=O)O CS-W001158 [0,2,0,0,0,0|1,0,1]=4 426 B6R0.2 C[C@@H](N)CN(C)C CS-0159973 [0,2,0,0,0,0|2,0,0]=4 427 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [0,2,0,0,0,0|1,0,0]=3 428 B6R0.2 C[C@@H](O)C[C@@H](C)O CS-0085737 [0,2,0,0,0,0|0,0,0]=2 429 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,2,0,0,0,0|0,0,1]=3 430 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [0,2,0,0,0,0|0,0,1]=3 431 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [0,2,0,0,0,0|0,0,1]=3 432 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [0,2,0,0,0,0|0,0,0]=2 433 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,2,0,0,0,0|0,0,1]=3 434 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,2,0,0,0,0|0,0,1]=3 435 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [0,2,0,0,0,0|0,0,1]=3 436 B6R0.3 C#CC(O)C(C)C CS-0207469 [0,2,0,0,0,0|1,0,1]=4 437 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [0,2,0,0,0,0|0,0,2]=4 438 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [0,2,0,0,0,0|0,0,2]=4 439 B6R0.3 CC(C)C(=N)NO CS-0008651 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.3 CC(C)C(=N)NO CS-W011311 [0,2,0,0,0,0|1,0,1]=4 441 B6R0.3 CC(C)C(=O)CBr CS-0020096 [0,2,0,0,0,0|1,0,1]=4 442 B6R0.3 CC(C)C(N)C#N CS-0255764 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.3 CC(C)C(N)CO CS-W004906 [0,2,0,0,0,0|0,0,0]=2 444 B6R0.3 CC(C)C(O)CN CS-0129685 [0,2,0,0,0,0|1,0,0]=3 445 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,2,0,0,0,0|0,0,0]=2 446 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,2,0,0,0,0|0,0,0]=2 447 B6R0.3 CC(CBr)C(=O)O CS-W016048 [0,2,0,0,0,0|1,0,1]=4 448 B6R0.3 CC(CN)C(=O)O CS-W013690 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.3 CCC(=O)C(=O)O CS-W007926 [0,2,0,0,0,0|0,0,2]=4 450 B6R0.3 CCC(Br)C(N)=O CS-0152635 [0,2,0,0,0,0|0,0,2]=4 451 B6R0.3 CCC(C)B(O)O CS-W011315 [0,2,0,0,0,0|1,0,0]=3 452 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,2,0,0,0,0|0,0,1]=3 453 B6R0.3 CCC(N)C(N)=O CS-0197483 [0,2,0,0,0,0|0,0,2]=4 454 B6R0.3 CCC(O)C(N)=O CS-0232591 [0,2,0,0,0,0|0,0,2]=4 455 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [0,2,0,0,0,0|0,0,1]=3 456 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [0,2,0,0,0,0|0,0,1]=3 457 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [0,2,0,0,0,0|0,0,1]=3 458 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [0,2,0,0,0,0|0,0,2]=4 459 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [0,2,0,0,0,0|0,0,1]=3 460 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [0,2,0,0,0,0|0,0,1]=3 461 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [0,2,0,0,0,0|0,0,1]=3 462 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,2,0,0,0,0|0,0,1]=3 463 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [0,2,0,0,0,0|0,0,2]=4 464 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,2,0,0,0,0|0,0,2]=4 465 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [0,2,0,0,0,0|0,0,0]=2 466 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [0,2,0,0,0,0|0,0,1]=3 467 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.3 CNC(C)C(=O)O CS-W011307 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.3 CNC(C)C(C)C CS-W000156 [0,2,0,0,0,0|2,0,0]=4 470 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,2,0,0,0,0|1,0,1]=4 471 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,2,0,0,0,0|1,0,1]=4 472 B6R0.3 COC(C)C(=O)O CS-W004806 [0,2,0,0,0,0|1,0,1]=4 473 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,2,0,0,0,0|1,0,1]=4 475 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [0,2,0,0,0,0|1,0,1]=4 476 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,2,0,0,0,0|1,0,1]=4 477 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [0,2,0,0,0,0|1,0,1]=4 478 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.3 NC(CO)C(=O)O CS-0015292 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.3 NC(CS)C(=O)O CS-0201576 [0,2,0,0,0,0|1,0,1]=4 482 B6R0.3 NC(CS)C(=O)O CS-W013566 [0,2,0,0,0,0|1,0,1]=4 483 B6R0.3 NC(CS)C(=O)O CS-W014367 [0,2,0,0,0,0|1,0,1]=4 484 B6R0.3 NC(CS)C(=O)O CS-W017432 [0,2,0,0,0,0|1,0,1]=4 485 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,2,0,0,0,0|1,0,1]=4 486 B6R0.3 NCC(N)C(=O)O CS-0130703 [0,2,0,0,0,0|1,0,1]=4 487 B6R0.3 NCC(N)C(=O)O CS-W014390 [0,2,0,0,0,0|1,0,1]=4 488 B6R0.3 NCC(O)C(=O)O CS-W013682 [0,2,0,0,0,0|1,0,1]=4 489 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [0,2,0,0,0,0|1,0,1]=4 490 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [0,2,0,0,0,0|1,0,1]=4 491 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [0,2,0,0,0,0|1,0,1]=4 495 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [0,2,0,0,0,0|1,0,1]=4 496 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [0,2,0,0,0,0|1,0,1]=4 497 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [0,2,0,0,0,0|1,0,1]=4 499 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [0,2,0,0,0,0|1,0,1]=4 501 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [0,2,0,0,0,0|1,0,1]=4 502 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,2,0,0,0,0|1,0,1]=4 503 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,2,0,0,0,0|1,0,1]=4 504 B6R0.3 O=C(O)C(O)CCl CS-0186802 [0,2,0,0,0,0|1,0,1]=4 505 B6R0.3 O=C(O)C(O)CO CS-W018821 [0,2,0,0,0,0|1,0,1]=4 506 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,2,0,0,0,0|1,0,1]=4 507 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [0,2,0,0,0,0|0,0,0]=2 508 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [0,2,0,0,0,0|0,0,0]=2 509 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [0,2,0,0,0,0|1,0,1]=4 510 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [0,2,0,0,0,0|0,0,1]=3 511 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [0,2,0,0,0,0|1,0,1]=4 512 B6R0.4 C#CCCC(=O)O CS-W008784 [0,2,0,0,0,0|0,0,2]=4 513 B6R0.4 C=CCCC(=O)O CS-W009138 [0,2,0,0,0,0|0,0,2]=4 514 B6R0.4 C=CCCC(C)O CS-0513969 [0,2,0,0,0,0|0,0,1]=3 515 B6R0.4 CC(=O)CCCCl CS-W013569 [0,2,0,0,0,0|1,0,0]=3 516 B6R0.4 CC(=O)CCCO CS-0020001 [0,2,0,0,0,0|0,0,0]=2 517 B6R0.4 CC(=O)NCCO CS-W013689 [0,2,0,0,0,0|0,0,1]=3 518 B6R0.4 CC(=O)OCCBr CS-W007598 [0,2,0,0,0,0|1,0,1]=4 519 B6R0.4 CC(=O)OCCN CS-0657679 [0,2,0,0,0,0|1,0,1]=4 520 B6R0.4 CC(=O)OCCO CS-0154995 [0,2,0,0,0,0|0,0,1]=3 521 B6R0.4 CC(Br)CCCBr CS-0204659 [0,2,0,0,0,0|1,0,0]=3 522 B6R0.4 CC(C)=CCCBr CS-0155165 [0,2,0,0,0,0|1,0,1]=4 523 B6R0.4 CC(C)CCCBr CS-0154233 [0,2,0,0,0,0|1,0,0]=3 524 B6R0.4 CC(C)CCCO CS-W007511 [0,2,0,0,0,0|0,0,0]=2 525 B6R0.4 CC(C)NCCCl CS-W006300 [0,2,0,0,0,0|1,0,0]=3 526 B6R0.4 CC(C)NCCN CS-0199017 [0,2,0,0,0,0|1,0,0]=3 527 B6R0.4 CC(C)NCCO CS-0076304 [0,2,0,0,0,0|0,0,0]=2 528 B6R0.4 CC(C)OCCBr CS-W018660 [0,2,0,0,0,0|1,0,0]=3 529 B6R0.4 CC(O)CCCO CS-0154051 [0,2,0,0,0,0|0,0,0]=2 530 B6R0.4 CCC#CC(=O)O CS-W013726 [0,2,0,0,0,0|0,0,2]=4 531 B6R0.4 CCCCB(O)O CS-W000932 [0,2,0,0,0,0|0,0,0]=2 532 B6R0.4 CCCCC(=N)N CS-0122242 [0,2,0,0,0,0|1,0,0]=3 533 B6R0.4 CCCCC(N)=S CS-0248646 [0,2,0,0,0,0|0,1,0]=3 534 B6R0.4 CCCCS(=O)[O-] CS-0851776 [0,2,0,0,0,0|0,0,1]=3 535 B6R0.4 CCCC[C@@H](C)O CS-0179419 [0,2,0,0,0,0|0,0,0]=2 536 B6R0.4 CCCC[C@H](C)O CS-0179420 [0,2,0,0,0,0|0,0,0]=2 537 B6R0.4 CCCNC(C)=O CS-0246738 [0,2,0,0,0,0|0,0,2]=4 538 B6R0.4 CCCOC(N)=O CS-W019060 [0,2,0,0,0,0|0,0,2]=4 539 B6R0.4 CCNCC(=O)O CS-0201673 [0,2,0,0,0,0|0,0,1]=3 540 B6R0.4 CCNCC(C)C CS-0071534 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.4 CCOCC(=O)O CS-0071579 [0,2,0,0,0,0|0,0,1]=3 542 B6R0.4 CCSCC(=O)O CS-0197336 [0,2,0,0,0,0|0,0,1]=3 543 B6R0.4 CC\C=C\C(=O)O CS-0053528 [0,2,0,0,0,0|0,0,2]=4 544 B6R0.4 CN(C)CCCBr CS-W003771 [0,2,0,0,0,0|1,0,0]=3 545 B6R0.4 CN(C)CCCCl CS-W004690 [0,2,0,0,0,0|1,0,0]=3 546 B6R0.4 CN(C)CCCCl CS-W019575 [0,2,0,0,0,0|1,0,0]=3 547 B6R0.4 CN(C)CCCN CS-0214111 [0,2,0,0,0,0|1,0,0]=3 548 B6R0.4 CN(C)CCON CS-0145225 [0,2,0,0,0,0|1,0,0]=3 549 B6R0.4 CNCCC(=O)O CS-0112815 [0,2,0,0,0,0|0,0,1]=3 550 B6R0.4 CNCCC(=O)O CS-0169148 [0,2,0,0,0,0|0,0,1]=3 551 B6R0.4 CNCCC(C)C CS-0039334 [0,2,0,0,0,0|1,0,0]=3 552 B6R0.4 CNCCC(N)=O CS-0214971 [0,2,0,0,0,0|0,0,2]=4 553 B6R0.4 CNCCN(C)C CS-W022914 [0,2,0,0,0,0|2,0,0]=4 554 B6R0.4 COCCC(=O)O CS-W009112 [0,2,0,0,0,0|0,0,1]=3 555 B6R0.4 CS(=O)CCCN CS-0286765 [0,2,0,0,0,0|1,0,0]=3 556 B6R0.4 CSCCC(=O)O CS-6296 [0,2,0,0,0,0|0,0,1]=3 557 B6R0.4 CSCCC(C)=O CS-0206726 [0,2,0,0,0,0|0,0,2]=4 558 B6R0.4 C[C@@H](N)CCCO CS-0634445 [0,2,0,0,0,0|0,0,0]=2 559 B6R0.4 C[C@H](N)CCCO CS-0652529 [0,2,0,0,0,0|0,0,0]=2 560 B6R0.4 C\C=C\CC(=O)O CS-0129103 [0,2,0,0,0,0|0,0,2]=4 561 B6R0.4 N#CCCC(=O)O CS-W018565 [0,2,0,0,0,0|0,0,2]=4 562 B6R0.4 N=C(O)NCCO CS-W011301 [0,2,0,0,0,0|1,0,1]=4 563 B6R0.4 NCCCC(=O)O CS-W020704 [0,2,0,0,0,0|0,0,1]=3 564 B6R0.4 NCCCC(N)=O CS-0103894 [0,2,0,0,0,0|0,0,2]=4 565 B6R0.4 O=C(O)CCCBr CS-W016047 [0,2,0,0,0,0|0,0,1]=3 566 B6R0.4 O=C(O)CCCCl CS-W013545 [0,2,0,0,0,0|0,0,1]=3 567 B6R0.4 O=[N+]([O-])CCCO CS-0209456 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.5 CC(C)(C)CCBr CS-B0401 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.5 CC(C)(C)CCO CS-W013693 [0,2,0,0,0,0|0,0,0]=2 570 B6R0.5 CC(C)(F)CCN CS-0061673 [0,2,0,0,0,0|1,0,0]=3 571 B6R0.5 CC(C)(N)CCO CS-W004889 [0,2,0,0,0,0|0,0,0]=2 572 B6R0.5 CC(C)(O)CC#N CS-0154614 [0,2,0,0,0,0|1,0,1]=4 573 B6R0.5 CC(C)(O)CCBr CS-W018816 [0,2,0,0,0,0|1,0,0]=3 574 B6R0.5 CC(C)(O)CCN CS-0043489 [0,2,0,0,0,0|1,0,0]=3 575 B6R0.5 CCCS(=O)(=O)[O-] CS-0148389 [0,2,0,0,0,0|1,0,1]=4 576 B6R0.5 CCCS(N)(=O)=O CS-W022937 [0,2,0,0,0,0|1,0,1]=4 577 B6R0.5 CCC[B-](F)(F)F CS-0223553 [0,2,0,0,0,0|2,0,0]=4 578 B6R0.5 CCC[N+](C)(C)C CS-0152572 [0,2,0,0,0,0|2,0,0]=4 579 B6R0.5 CNCC(C)(C)C CS-0039440 [0,2,0,0,0,0|2,0,0]=4 580 B6R0.5 CNCC(C)(C)O CS-0038213 [0,2,0,0,0,0|1,0,0]=3 581 B6R0.5 CNCC(F)(F)F CS-0151016 [0,2,0,0,0,0|2,0,0]=4 582 B6R0.5 COCC(C)(C)O CS-0186349 [0,2,0,0,0,0|1,0,0]=3 583 B6R0.5 CS(=O)(=O)CCBr CS-0084612 [0,2,0,0,0,0|2,0,0]=4 584 B6R0.5 CS(=O)(=O)CCN CS-0139140 [0,2,0,0,0,0|2,0,0]=4 585 B6R0.5 CS(=O)(=O)CCN CS-W003121 [0,2,0,0,0,0|2,0,0]=4 586 B6R0.5 CS(=O)(=O)CCO CS-0059238 [0,2,0,0,0,0|1,0,0]=3 587 B6R0.5 CSCC(C)(C)N CS-0107363 [0,2,0,0,0,0|2,0,0]=4 588 B6R0.5 C[N+](C)(C)CCBr CS-W012688 [0,2,0,0,0,0|2,0,0]=4 589 B6R0.5 C[N+](C)(C)CCCl CS-W008900 [0,2,0,0,0,0|2,0,0]=4 590 B6R0.5 C[N+](C)(C)CCN CS-0204825 [0,2,0,0,0,0|2,0,0]=4 591 B6R0.5 C[N+](C)(C)CCO CS-0017216 [0,2,0,0,0,0|1,0,0]=3 592 B6R0.5 C[N+](C)(C)CCO CS-0097842 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.5 C[N+](C)(C)CCO CS-0185855 [0,2,0,0,0,0|1,0,0]=3 594 B6R0.5 C[N+](C)(C)CCO CS-4855 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.5 C[N+](C)(C)CCS CS-0528621 [0,2,0,0,0,0|1,1,0]=4 596 B6R0.5 C[Si](C)(C)CCBr CS-0239787 [0,2,0,0,0,0|1,1,0]=4 597 B6R0.5 C[Si](C)(C)CCO CS-0015144 [0,2,0,0,0,0|0,1,0]=3 598 B6R0.5 ClCCC(Cl)(Cl)Cl CS-0188510 [0,2,0,0,0,0|2,0,0]=4 599 B6R0.5 NCCC(F)(F)F CS-W004765 [0,2,0,0,0,0|2,0,0]=4 600 B6R0.5 NCCP(=O)(O)O CS-W006371 [0,2,0,0,0,0|2,0,0]=4 601 B6R0.5 NCCS(=O)(=O)O CS-2397 [0,2,0,0,0,0|2,0,0]=4 602 B6R0.5 NS(=O)(=O)CCO CS-0169345 [0,2,0,0,0,0|2,0,0]=4 603 B6R0.5 O=P(O)(O)CCCl CS-0197818 [0,2,0,0,0,0|2,0,0]=4 604 B6R0.5 O=P(O)(O)CCO CS-0514168 [0,2,0,0,0,0|2,0,0]=4 605 B6R0.5 O=S(=O)(O)CCO CS-W019640 [0,2,0,0,0,0|2,0,0]=4 606 B6R0.5 OCCC(F)(F)F CS-W011251 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.6 BrCCCCCBr CS-W019956 [0,2,0,0,0,0|1,0,0]=3 608 B6R0.6 BrCCOCCBr CS-W014174 [0,2,0,0,0,0|1,0,0]=3 609 B6R0.6 C#CCCCCCl CS-0204489 [0,2,0,0,0,0|1,0,0]=3 610 B6R0.6 C#CCCCCI CS-0088557 [0,2,0,0,0,0|1,0,0]=3 611 B6R0.6 C#CCCCCN CS-0059697 [0,2,0,0,0,0|1,0,0]=3 612 B6R0.6 C#CCCCCN CS-0106594 [0,2,0,0,0,0|1,0,0]=3 613 B6R0.6 C#CCCCCO CS-W016659 [0,2,0,0,0,0|0,0,0]=2 614 B6R0.6 C#CCOCCI CS-0514546 [0,2,0,0,0,0|1,0,1]=4 615 B6R0.6 C#CCOCCN CS-0063716 [0,2,0,0,0,0|1,0,1]=4 616 B6R0.6 C#CCOCCN CS-0199315 [0,2,0,0,0,0|1,0,1]=4 617 B6R0.6 C#CCOCCO CS-0086239 [0,2,0,0,0,0|0,0,1]=3 618 B6R0.6 C(CC)=CCCO CS-W009552 [0,2,0,0,0,0|0,0,0]=2 619 B6R0.6 C(CO)=CCCC CS-W016652 [0,2,0,0,0,0|0,0,0]=2 620 B6R0.6 C=C=CCCCO CS-1014365 [0,2,0,0,0,0|0,0,1]=3 621 B6R0.6 C=CCCCCBr CS-W008939 [0,2,0,0,0,0|1,0,0]=3 622 B6R0.6 C=CCCCCN CS-0210385 [0,2,0,0,0,0|1,0,0]=3 623 B6R0.6 C=CCCCCO CS-W013711 [0,2,0,0,0,0|0,0,0]=2 624 B6R0.6 C=CCOCCO CS-0157967 [0,2,0,0,0,0|0,0,1]=3 625 B6R0.6 C=COCCON CS-M0262 [0,2,0,0,0,0|0,0,2]=4 626 B6R0.6 CCC#CCCO CS-0040171 [0,2,0,0,0,0|0,0,0]=2 627 B6R0.6 CCCCCCI CS-0132388 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.6 CCCCCCN CS-0196786 [0,2,0,0,0,0|1,0,0]=3 629 B6R0.6 CCCNCCC CS-0187381 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.6 CCCNCCC CS-0214120 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.6 CCCNCCO CS-0105782 [0,2,0,0,0,0|0,0,0]=2 632 B6R0.6 CCCOCCCl CS-0200392 [0,2,0,0,0,0|1,0,0]=3 633 B6R0.6 CCC\C=C\C=O CS-0099263 [0,2,0,0,0,0|0,0,2]=4 634 B6R0.6 CCNCCCN CS-0151962 [0,2,0,0,0,0|1,0,0]=3 635 B6R0.6 CCOCCCO CS-W013685 [0,2,0,0,0,0|0,0,0]=2 636 B6R0.6 CC\C=C/CCO CS-W011323 [0,2,0,0,0,0|0,0,0]=2 637 B6R0.6 CNCCCCBr CS-0163109 [0,2,0,0,0,0|1,0,0]=3 638 B6R0.6 CNCCCCO CS-W006493 [0,2,0,0,0,0|0,0,0]=2 639 B6R0.6 COCCCCBr CS-W021313 [0,2,0,0,0,0|0,0,0]=2 640 B6R0.6 COCCCCCl CS-0039726 [0,2,0,0,0,0|0,0,0]=2 641 B6R0.6 COCCCCO CS-0150179 [0,2,0,0,0,0|0,0,0]=2 642 B6R0.6 CSCCCCO CS-0204406 [0,2,0,0,0,0|0,0,0]=2 643 B6R0.6 C\C=C\C=C\CO CS-W018413 [0,2,0,0,0,0|0,0,2]=4 644 B6R0.6 ClCCCCCBr CS-W016940 [0,2,0,0,0,0|1,0,0]=3 645 B6R0.6 ClCCCCCI CS-0135342 [0,2,0,0,0,0|1,0,0]=3 646 B6R0.6 ClCCNCCCl CS-W020124 [0,2,0,0,0,0|1,0,0]=3 647 B6R0.6 FCCCCCBr CS-W005161 [0,2,0,0,0,0|1,0,0]=3 648 B6R0.6 ICCCCCI CS-0041009 [0,2,0,0,0,0|1,0,0]=3 649 B6R0.6 ICCOCCI CS-W011980 [0,2,0,0,0,0|1,0,0]=3 650 B6R0.6 N#CCCCCBr CS-D1429 [0,2,0,0,0,0|1,0,0]=3 651 B6R0.6 N#CCCCCCl CS-W022361 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.6 N#CCOCCCl CS-0158721 [0,2,0,0,0,0|1,0,1]=4 653 B6R0.6 NCCCCCBr CS-0006784 [0,2,0,0,0,0|1,0,0]=3 654 B6R0.6 NCCCCCN CS-W017466 [0,2,0,0,0,0|1,0,0]=3 655 B6R0.6 NCCCCCO CS-W013687 [0,2,0,0,0,0|0,0,0]=2 656 B6R0.6 NCCNCCN CS-0498854 [0,2,0,0,0,0|1,0,0]=3 657 B6R0.6 NCCNCCO CS-W011299 [0,2,0,0,0,0|0,0,0]=2 658 B6R0.6 NCCOCCN CS-0114847 [0,2,0,0,0,0|1,0,0]=3 659 B6R0.6 NCCOCCN CS-0115750 [0,2,0,0,0,0|1,0,0]=3 660 B6R0.6 NCCOCCO CS-1013822 [0,2,0,0,0,0|0,0,0]=2 661 B6R0.6 NCCOCCO CS-1013830 [0,2,0,0,0,0|0,0,0]=2 662 B6R0.6 NCCOCCO CS-1014116 [0,2,0,0,0,0|0,0,0]=2 663 B6R0.6 NCCSCCN CS-W013570 [0,2,0,0,0,0|1,0,0]=3 664 B6R0.6 OCCCCCBr CS-0905394 [0,2,0,0,0,0|0,0,0]=2 665 B6R0.6 OCCCCCBr CS-W007393 [0,2,0,0,0,0|0,0,0]=2 666 B6R0.6 OCCCCCCl CS-0095410 [0,2,0,0,0,0|0,0,0]=2 667 B6R0.6 OCCCCCI CS-0252955 [0,2,0,0,0,0|0,0,0]=2 668 B6R0.6 OCCCCCO CS-W020635 [0,2,0,0,0,0|0,0,0]=2 669 B6R0.6 OCCNCCCl CS-0064563 [0,2,0,0,0,0|0,0,0]=2 670 B6R0.6 OCCOCCBr CS-0114928 [0,2,0,0,0,0|0,0,0]=2 671 B6R0.6 OCCOCCCl CS-0016058 [0,2,0,0,0,0|0,0,0]=2 672 B6R0.6 OCCOCCF CS-0199113 [0,2,0,0,0,0|0,0,0]=2 673 B6R0.6 OCCOCCI CS-0139452 [0,2,0,0,0,0|0,0,0]=2 674 B6R0.6 [N-]=[N+]=NCCCN CS-0620393 [0,2,0,0,0,0|2,0,0]=4 675 B6R0.8 C#CC(C)(N)CC CS-W003636 [0,2,0,0,0,0|1,0,1]=4 676 B6R0.8 CC(C)(C#N)CO CS-W018923 [0,2,0,0,0,0|1,0,1]=4 677 B6R0.8 CC(C)(CBr)CBr CS-W004189 [0,2,0,0,0,0|2,0,0]=4 678 B6R0.8 CC(C)(CN)CN CS-0077143 [0,2,0,0,0,0|2,0,0]=4 679 B6R0.8 CC(C)(CN)CO CS-W008239 [0,2,0,0,0,0|1,0,0]=3 680 B6R0.8 CC(C)(CO)CBr CS-0043654 [0,2,0,0,0,0|1,0,0]=3 681 B6R0.8 CC(C)(CO)CCl CS-W011189 [0,2,0,0,0,0|1,0,0]=3 682 B6R0.8 CC(N)(CO)CO CS-W017770 [0,2,0,0,0,0|1,0,0]=3 683 B6R0.8 CCC(C)(C)CN CS-0590202 [0,2,0,0,0,0|1,0,0]=3 684 B6R0.8 CCC(C)(C)O[K] CS-0636232 [0,2,0,0,0,0|2,0,0]=4 685 B6R0.8 CCS(=O)(=O)CC CS-0376644 [0,2,0,0,0,0|2,0,0]=4 686 B6R0.8 CNC(C)(C)CO CS-W018699 [0,2,0,0,0,0|1,0,0]=3 687 B6R0.8 COC(C)(C)CO CS-0146594 [0,2,0,0,0,0|1,0,0]=3 688 B6R0.8 NCC(F)(F)CN CS-0038484 [0,2,0,0,0,0|2,0,0]=4 689 B6R0.8 NCC(F)(F)CO CS-B1180 [0,2,0,0,0,0|1,0,0]=3 690 B6R0.8 OCC(F)(F)CO CS-0094694 [0,2,0,0,0,0|1,0,0]=3 691 B6R0.9 CCC(CC)CBr CS-0132321 [0,2,0,0,0,0|1,0,0]=3 692 B6R0.9 CCC(CC)NN CS-0210677 [0,2,0,0,0,0|1,0,0]=3 693 B6R0.9 CCN(C=O)CC CS-W009551 [0,2,0,0,0,0|2,0,0]=4 694 B6R0.9 CCN(CC)CC CS-0152028 [0,2,0,0,0,0|2,0,0]=4 695 B6R0.9 CCN(CC)CC CS-0187700 [0,2,0,0,0,0|2,0,0]=4 696 B6R0.9 CCN(CC)CC CS-0199232 [0,2,0,0,0,0|2,0,0]=4 697 B6R0.9 CCN(CC)N=O CS-0128799 [0,2,0,0,0,0|2,0,0]=4 698 B6R0.9 COC(CBr)OC CS-W018536 [0,2,0,0,0,0|2,0,0]=4 699 B6R0.9 COC(CN)OC CS-0015304 [0,2,0,0,0,0|2,0,0]=4 700 B6R0.9 COC(CO)OC CS-W011294 [0,2,0,0,0,0|1,0,0]=3 701 B6R0.9 OCC(CO)CO CS-W005889 [0,2,0,0,0,0|1,0,0]=3 702 B4R1.1 C1CNC1 CS-W011344 [1,0,0,1,0,0|1,0,0]=3 703 B4R1.2 IC1CC1 CS-0197833 [1,0,0,1,0,0|1,0,0]=3 704 B4R1.2 NC1CC1 CS-0697476 [1,0,0,1,0,0|1,0,0]=3 705 B4R1.2 OC1CC1 CS-0059134 [1,0,0,1,0,0|0,0,0]=2 706 B6R1.2 BrC1CCNC1 CS-W005728 [0,1,0,1,0,0|1,0,0]=3 707 B6R1.2 BrC1CCOC1 CS-W004035 [0,1,0,1,0,0|0,0,0]=2 708 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,1,0,0|1,0,0]=3 709 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,1,0,1,0,0|1,0,0]=3 710 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,1,0,1,0,0|1,0,0]=3 711 B6R1.2 FC1CCNC1 CS-W005668 [0,1,0,1,0,0|1,0,0]=3 712 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,1,0,1,0,0|1,0,0]=3 713 B6R1.2 IC1CCCC1 CS-0067150 [0,1,0,1,0,0|1,0,0]=3 714 B6R1.2 IC1CCOC1 CS-W004266 [0,1,0,1,0,0|0,0,0]=2 715 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,1,0,1,0,0|0,0,0]=2 716 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,1,0,1,0,0|0,0,0]=2 717 B6R1.2 N=C1CCCS1 CS-W016514 [0,1,0,1,0,0|0,1,1]=4 718 B6R1.2 NC1=NCCC1 CS-B0123 [0,1,0,1,0,0|1,0,1]=4 719 B6R1.2 NC1CC=CC1 CS-W022621 [0,1,0,1,0,0|1,0,1]=4 720 B6R1.2 NC1CCNC1 CS-W016190 [0,1,0,1,0,0|1,0,0]=3 721 B6R1.2 NC1CCOC1 CS-D1564 [0,1,0,1,0,0|0,0,0]=2 722 B6R1.2 NC1CCOC1 CS-W011353 [0,1,0,1,0,0|0,0,0]=2 723 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,1,0,1,0,0|1,0,0]=3 724 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,1,0,1,0,0|0,0,0]=2 725 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,1,0,1,0,0|1,0,0]=3 726 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,1,0,1,0,0|0,0,0]=2 727 B6R1.2 O=C1CCCN1 CS-0197058 [0,1,0,1,0,0|0,0,2]=4 728 B6R1.2 O=C1CCNC1 CS-W005267 [0,1,0,1,0,0|0,0,2]=4 729 B6R1.2 O=C1CCOC1 CS-D1574 [0,1,0,1,0,0|0,0,1]=3 730 B6R1.2 O=C1CCSC1 CS-W011310 [0,1,0,1,0,0|0,0,2]=4 731 B6R1.2 O=C1NCCO1 CS-W007548 [0,1,0,1,0,0|1,0,1]=4 732 B6R1.2 O=S1CCCC1 CS-0207394 [0,1,0,1,0,0|0,0,1]=3 733 B6R1.2 O=S1OCCO1 CS-W013675 [0,1,0,1,0,0|2,0,0]=4 734 B6R1.2 OC1C=CCC1 CS-0451001 [0,1,0,1,0,0|0,0,1]=3 735 B6R1.2 OC1CC=CC1 CS-W002682 [0,1,0,1,0,0|0,0,1]=3 736 B6R1.2 OC1CCNC1 CS-W002985 [0,1,0,1,0,0|0,0,0]=2 737 B6R1.2 OC1CCNC1 CS-W022946 [0,1,0,1,0,0|0,0,0]=2 738 B6R1.2 OC1CCOC1 CS-M0786 [0,1,0,1,0,0|0,0,0]=2 739 B6R1.2 OC1CCSC1 CS-0185375 [0,1,0,1,0,0|0,0,0]=2 740 B6R1.2 OC1CNOC1 CS-0271204 [0,1,0,1,0,0|1,0,0]=3 741 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,1,0,1,0,0|0,0,0]=2 742 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,1,0,1,0,0|0,0,0]=2 743 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,1,0,1,0,0|0,0,0]=2 744 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,1,0,1,0,0|0,0,0]=2 745 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,1,0,1,0,0|0,0,0]=2 746 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,1,0,1,0,0|0,0,0]=2 747 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,1,0,1,0,0|1,0,0]=3 748 B6R1.2 S=C1NCCO1 CS-0097403 [0,1,0,1,0,0|1,0,1]=4 749 B6R1.2 SC1=NCCC1 CS-W013703 [0,1,0,1,0,0|0,1,1]=4 750 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,1,0,1,0,0|1,0,0]=3 751 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,1,0,1,0,0|1,0,0]=3 752 B6R1.3 BrC#CC1CC1 CS-0130324 [0,1,0,1,0,0|1,0,1]=4 753 B6R1.3 BrCCC1CO1 CS-0158422 [0,1,0,1,0,0|0,0,0]=2 754 B6R1.3 CCNC1CC1 CS-0046972 [0,1,0,1,0,0|1,0,0]=3 755 B6R1.3 CNCC1CC1 CS-0045377 [0,1,0,1,0,0|1,0,0]=3 756 B6R1.3 COC[C@H]1CO1 CS-0165613 [0,1,0,1,0,0|0,0,0]=2 757 B6R1.3 ICCC1CC1 CS-0012702 [0,1,0,1,0,0|1,0,0]=3 758 B6R1.3 N#CCC1CC1 CS-0051913 [0,1,0,1,0,0|1,0,0]=3 759 B6R1.3 NCCC1CC1 CS-W006511 [0,1,0,1,0,0|1,0,0]=3 760 B6R1.3 NOCC1CC1 CS-W019324 [0,1,0,1,0,0|0,0,0]=2 761 B6R1.3 O=CNC1CC1 CS-M1370 [0,1,0,1,0,0|0,0,2]=4 762 B6R1.3 OCCC1CC1 CS-W016679 [0,1,0,1,0,0|0,0,0]=2 763 B6R1.3 OCCN1CC1 CS-W023058 [0,1,0,1,0,0|0,0,0]=2 764 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [0,1,0,1,0,0|0,0,0]=2 765 B6R1.5 CC1CC(N)C1 CS-W006905 [0,1,0,1,0,0|1,0,0]=3 766 B6R1.5 CN1CC(Cl)C1 CS-0504631 [0,1,0,1,0,0|2,0,0]=4 767 B6R1.5 CN1CC(O)C1 CS-0040831 [0,1,0,1,0,0|1,0,0]=3 768 B6R1.5 CN1CC(O)C1 CS-0041554 [0,1,0,1,0,0|1,0,0]=3 769 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,1,0,1,0,0|0,0,2]=4 770 B6R1.5 NC1CC(F)C1 CS-0045538 [0,1,0,1,0,0|1,0,0]=3 771 B6R1.5 NC1CC(O)C1 CS-W003832 [0,1,0,1,0,0|0,0,0]=2 772 B6R1.5 NC1CC(O)C1 CS-W020372 [0,1,0,1,0,0|0,0,0]=2 773 B6R1.5 N[C@H]1C[C@@H](F)C1 CS-0049708 [0,1,0,1,0,0|1,0,0]=3 774 B6R1.5 N[C@H]1C[C@@H](O)C1 CS-W022615 [0,1,0,1,0,0|0,0,0]=2 775 B6R1.5 N[C@H]1C[C@H](Br)C1 CS-0309496 [0,1,0,1,0,0|1,0,0]=3 776 B6R1.5 N[C@H]1C[C@H](F)C1 CS-0047786 [0,1,0,1,0,0|1,0,0]=3 777 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [0,1,0,1,0,0|0,0,0]=2 778 B6R1.5 O=C1CC(O)C1 CS-0051337 [0,1,0,1,0,0|0,0,1]=3 779 B6R1.8 C=C1CC1CO CS-0054284 [0,1,0,1,0,0|0,0,1]=3 780 B6R1.9 NC1CC1(F)F CS-W000385 [0,1,0,1,0,0|2,0,0]=4 781 B6R1.10 CC1(C)CNC1 CS-W003726 [0,1,0,1,0,0|2,0,0]=4 782 B6R1.10 CC1(F)CNC1 CS-0051364 [0,1,0,1,0,0|2,0,0]=4 783 B6R1.10 CC1(N)CCC1 CS-W021359 [0,1,0,1,0,0|1,0,0]=3 784 B6R1.10 CC1(N)COC1 CS-0045507 [0,1,0,1,0,0|2,0,0]=4 785 B6R1.10 CC1(O)CCC1 CS-0168123 [0,1,0,1,0,0|0,0,0]=2 786 B6R1.10 CC1(O)CNC1 CS-0007720 [0,1,0,1,0,0|1,0,0]=3 787 B6R1.10 CC1(O)COC1 CS-W005276 [0,1,0,1,0,0|1,0,0]=3 788 B6R1.10 FC1(F)CNC1 CS-W001214 [0,1,0,1,0,0|2,0,0]=4 789 B6R1.11 CC(N)C1CC1 CS-0112917 [0,1,0,1,0,0|1,0,0]=3 790 B6R1.11 C[C@@H](N)C1CC1 CS-0034128 [0,1,0,1,0,0|1,0,0]=3 791 B6R1.11 C[C@H](N)C1CC1 CS-0036411 [0,1,0,1,0,0|1,0,0]=3 792 B6R1.11 N=C(N)C1CC1 CS-W022622 [0,1,0,1,0,0|1,0,1]=4 793 B6R1.11 NC(=O)C1CC1 CS-W011356 [0,1,0,1,0,0|0,0,2]=4 794 B6R1.11 NC(=O)C1CO1 CS-0067053 [0,1,0,1,0,0|1,0,1]=4 795 B6R1.11 NC(=S)C1CC1 CS-0144906 [0,1,0,1,0,0|0,1,1]=4 796 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,1,0,1,0,0|0,0,1]=3 797 B6R1.11 OB(O)C1CC1 CS-D1018 [0,1,0,1,0,0|1,0,0]=3 798 B6R1.1 C1=CCNCC1 CS-W021272 [0,1,0,1,0,0|1,0,1]=4 799 B6R1.1 C1CCNNC1 CS-0038680 [0,1,0,1,0,0|1,0,0]=3 800 B6R1.1 C1CCONC1 CS-W000777 [0,1,0,1,0,0|0,0,0]=2 801 B6R1.1 C1CNCCN1 CS-0214091 [0,1,0,1,0,0|1,0,0]=3 802 B6R1.1 C1CNCCN1 CS-0214115 [0,1,0,1,0,0|1,0,0]=3 803 B6R1.1 C1CSCCN1 CS-W007359 [0,1,0,1,0,0|0,1,0]=3 804 B6R1.1 C1CSCCO1 CS-0155184 [0,1,0,1,0,0|0,0,0]=2 805 B6R1.1 C1CSCCS1 CS-0698377 [0,1,0,1,0,0|0,1,0]=3 806 B6R1.1 C1CSCSC1 CS-W001189 [0,1,0,1,0,0|0,1,0]=3 807 B6R1.4 CC1OCC1=O CS-0051833 [0,1,0,1,0,0|0,0,1]=3 808 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [0,1,0,1,0,0|0,0,0]=2 809 B6R1.4 NC1CCC1F CS-0505919 [0,1,0,1,0,0|1,0,0]=3 810 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,1,0,1,0,0|0,0,0]=2 811 B6R1.4 O=C1CCC1Br CS-0147268 [0,1,0,1,0,0|0,0,2]=4 812 B6R1.6 BrCC1CCC1 CS-0015296 [0,1,0,1,0,0|1,0,0]=3 813 B6R1.6 BrCC1COC1 CS-W018850 [0,1,0,1,0,0|1,0,0]=3 814 B6R1.6 CNC1CCC1 CS-0054580 [0,1,0,1,0,0|1,0,0]=3 815 B6R1.6 CNC1CNC1 CS-0043910 [0,1,0,1,0,0|2,0,0]=4 816 B6R1.6 CNC1COC1 CS-0040193 [0,1,0,1,0,0|1,0,0]=3 817 B6R1.6 COC1CNC1 CS-W008894 [0,1,0,1,0,0|1,0,0]=3 818 B6R1.6 CSC1CNC1 CS-0051673 [0,1,0,1,0,0|1,1,0]=4 819 B6R1.6 FCC1CNC1 CS-0085106 [0,1,0,1,0,0|1,0,0]=3 820 B6R1.6 ICC1CCC1 CS-0053096 [0,1,0,1,0,0|1,0,0]=3 821 B6R1.6 ICC1CCO1 CS-0052227 [0,1,0,1,0,0|0,0,0]=2 822 B6R1.6 ICC1COC1 CS-0045504 [0,1,0,1,0,0|1,0,0]=3 823 B6R1.6 N#CC1CCC1 CS-0007644 [0,1,0,1,0,0|1,0,0]=3 824 B6R1.6 N#CC1CNC1 CS-W018612 [0,1,0,1,0,0|1,0,1]=4 825 B6R1.6 N#CC1COC1 CS-0043332 [0,1,0,1,0,0|1,0,1]=4 826 B6R1.6 NCC1CCC1 CS-W004986 [0,1,0,1,0,0|1,0,0]=3 827 B6R1.6 NCC1CCO1 CS-0048767 [0,1,0,1,0,0|0,0,0]=2 828 B6R1.6 NCC1CNC1 CS-W022574 [0,1,0,1,0,0|1,0,0]=3 829 B6R1.6 NCC1COC1 CS-W008698 [0,1,0,1,0,0|1,0,0]=3 830 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,1,0,1,0,0|0,0,0]=2 831 B6R1.6 NNC1CCC1 CS-0054590 [0,1,0,1,0,0|1,0,0]=3 832 B6R1.6 NNC1CCC1 CS-D1710 [0,1,0,1,0,0|1,0,0]=3 833 B6R1.6 NNC1COC1 CS-0187598 [0,1,0,1,0,0|2,0,0]=4 834 B6R1.6 O=CC1COC1 CS-0048764 [0,1,0,1,0,0|0,0,2]=4 835 B6R1.6 OCC1CCC1 CS-W001922 [0,1,0,1,0,0|0,0,0]=2 836 B6R1.6 OCC1CCN1 CS-0049913 [0,1,0,1,0,0|0,0,0]=2 837 B6R1.6 OCC1CCO1 CS-W019194 [0,1,0,1,0,0|0,0,0]=2 838 B6R1.6 OCC1CNC1 CS-D1756 [0,1,0,1,0,0|0,0,0]=2 839 B6R1.7 C#CC1(N)CC1 CS-B0936 [0,1,0,1,0,0|1,0,1]=4 840 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,1,0,1,0,0|1,0,0]=3 841 B6R1.7 CC1(CN)CC1 CS-0037189 [0,1,0,1,0,0|1,0,0]=3 842 B6R1.7 CC1(CO)CC1 CS-W000081 [0,1,0,1,0,0|0,0,0]=2 843 B6R1.7 N#CC1(N)CC1 CS-D0921 [0,1,0,1,0,0|1,0,1]=4 844 B6R1.7 NC1(CF)CC1 CS-0139594 [0,1,0,1,0,0|1,0,0]=3 845 B6R1.7 NC1(CO)CC1 CS-0040895 [0,1,0,1,0,0|0,0,0]=2 846 B6R1.7 NC1(CO)CC1 CS-D0148 [0,1,0,1,0,0|0,0,0]=2 847 B6R1.7 NCC1(O)CC1 CS-W005471 [0,1,0,1,0,0|1,0,0]=3 848 B6R1.7 OCC1(F)CC1 CS-W000077 [0,1,0,1,0,0|0,0,0]=2 849 B6R1.7 OCC1(O)CC1 CS-0037029 [0,1,0,1,0,0|0,0,0]=2