0 B5R0.3 C=CC(O)CBr CS-0742258 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C=CC(O)CC CS-0187602 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C=C[C@H](O)CO CS-0170861 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.3 CC(C#N)CO CS-0222830 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CC(CN)CO CS-0213279 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CCC(C)C#N CS-0648820 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CCC(C)CCl CS-0252571 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CCC(C)CI CS-0152624 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CCC(C)NC CS-0249746 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 CCC(C)NN CS-0035425 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.3 CCC(Cl)C#N CS-0251795 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 CCC(N)CO CS-W013747 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 CCC(O)C#N CS-0217991 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CCC(O)CI CS-0244982 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.3 CCC(O)CO CS-0094102 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.3 CC[C@@H](O)CN CS-0096325 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 CC[C@H](C)CBr CS-0821293 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 CC[C@H](C)CN CS-0084160 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 CC\C(N)=N\O CS-0701769 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 CNC(=O)CO CS-0205237 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 COC(C)CN CS-0148787 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.3 C[C@H](CO)CBr CS-0142517 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 N#CC(Cl)CCl CS-W013536 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.3 N=C(CCl)NO CS-0368582 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 NCC(=O)CN CS-0165855 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.3 NCC(N)CN CS-0264968 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.3 NC[C@H](O)CO CS-0259926 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.3 N\C(CCl)=N/O CS-0074761 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.3 O=C(CO)CO CS-W021282 [0,0,0,0,0,0|0,0,2]=2 29 B5R0.3 OCC(O)CI CS-0758162 [0,0,0,0,0,0|1,0,0]=1 30 B5R0.3 O[C@@H](CCl)CI CS-0622968 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.3 O[C@H](CCl)CI CS-0622969 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 C=C(Cl)CO CS-0204551 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=C(I)CO CS-0523656 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 CC(=O)CN CS-0697654 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 CC(Br)CN CS-0154044 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(C)CN CS-0214119 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(C)NN CS-0580294 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 CC(Cl)CN CS-0668764 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(I)C#N CS-0245121 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(O)CS CS-0265005 [1,0,0,0,0,0|0,1,0]=2 41 B4R0.1 CC[PH](C)=O CS-0637552 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 C[C@H](O)CCl CS-0158252 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 O=C(O)CO CS-0205290 [1,0,0,0,0,0|0,0,2]=3 44 B4R0.1 O=C(O)[Ba]O CS-0783548 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 O=C([O-])CO CS-0110893 [1,0,0,0,0,0|0,0,3]=4 46 B4R0.1 O=S(O)CF CS-0779635 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 O=S(O)CO CS-0699021 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 OCC(Cl)Cl CS-0246811 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 C=C=CCO CS-0239838 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 C=CCCN CS-0227046 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 CCCCN CS-0214095 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.2 CCCC[O-] CS-0870886 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.2 CCCON CS-0106185 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.2 CCNCC CS-0621902 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.2 CC\C=N\O CS-0239378 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.2 CNCCF CS-0103514 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.2 CNCCN CS-W003799 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.2 COCCN CS-0115625 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.2 COCCN CS-0214155 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.2 CSCCBr CS-0208163 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.2 CSCCN CS-W016668 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.2 NCCCO CS-0375891 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.1 C#CCC(O)CC CS-0227140 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 C=CC(O)CC#N CS-0308277 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 C=CC(O)CCC CS-0188333 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 C=CCC(O)C=C CS-0230804 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 CC(CN)CCO CS-0264833 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.1 CC(CO)CCCl CS-0858617 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.1 CCC(C)CC#N CS-0243767 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.1 CCC(C)CCO CS-0204814 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.1 CCC(C)CNC CS-0356555 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.1 CCC(N)CC#N CS-0253543 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.1 CCC(N)CCN CS-0238941 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.1 CCC(O)COC CS-0199441 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.1 CCCC(N)CO CS-0089892 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.1 CCCC(O)C#N CS-0230777 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.1 CCC[C@@H](N)CO CS-0088083 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.1 CCC[C@@H](N)CO CS-1181369 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.1 CCNC(=O)CO CS-0239967 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.1 CCNC(C)CO CS-0298610 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.1 CC[C@@H](O)CC#N CS-0618888 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.1 CC[C@H](C)CCO CS-0198789 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.1 CNC(C)CCO CS-0661493 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.1 COCC(C)C#N CS-0139338 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.1 COCC(C)CN CS-1031373 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.1 COCC(C)CO CS-0144671 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.1 COCC(O)CO CS-W011295 [0,1,0,0,0,0|0,0,0]=1 88 B6R0.1 C[C@@H](CO)CCN CS-0205665 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.1 N#CCC(O)CCl CS-W001254 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.1 OC(CCl)CCCl CS-0314175 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.1 OCC[C@@H](O)CO CS-0069613 [0,1,0,0,0,0|0,0,0]=1 92 B6R0.3 C=C(CO)C(=O)O CS-0234763 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.3 C=C[C@H](C)[C@@H](C)O CS-0567207 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 CC(C)C(O)C#N CS-0208256 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 CC(C)[C@H](N)CO CS-0333893 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CC(CN)C(=O)O CS-0154043 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 CC(CO)N(=O)=O CS-0204482 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 CC(CS)C(=O)O CS-0141858 [0,1,0,0,0,0|1,1,1]=4 99 B6R0.3 CCC(C)C(C)Br CS-0242604 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.3 CCC(Cl)C(=O)O CS-0283480 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CCC(N)C(C)C CS-0251418 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.3 CCC(O)C(C)O CS-0243433 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.3 CC[C@@H](Cl)C(=O)O CS-0198794 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 CC[C@H](O)C(=O)O CS-1022965 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.3 CC[C@H](S)C(=O)O CS-0442983 [0,1,0,0,0,0|1,1,1]=4 106 B6R0.3 COC(C)C(C)O CS-0667009 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.3 C[C@@H](CO)N(C)C CS-0533497 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.3 C[C@@H](O)[C@@H](N)CO CS-0091338 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.3 C[C@H](CO)N(C)C CS-0616072 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [0,1,0,0,0,0|1,0,2]=4 111 B6R0.3 NC(CCl)C(=O)O CS-W016172 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 N[C@@H](CCl)C(=O)O CS-0133369 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 O=C(O)[C@H](O)CO CS-0179318 [0,1,0,0,0,0|0,0,1]=2 114 B6R0.3 OC[C@@H](O)C(F)F CS-0509324 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.8 C=CC(C)(C)CO CS-0242016 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.8 CC(Br)(CBr)CBr CS-0260767 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.8 CC(C)(CI)CI CS-0260030 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.8 CC(O)(CO)CO CS-0503727 [0,1,0,0,0,0|0,0,0]=1 119 B6R0.8 CCC(C)(C)CBr CS-0223721 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.8 CCC(C)(C)CO CS-0075738 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.8 CCC(C)(N)CC CS-0260809 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.8 CCC(C)(N)CN CS-0252348 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.8 CCC(C)(N)CO CS-0091232 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.8 CCP(=O)(O)CC CS-0569340 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.8 ClCC(Cl)(Cl)CCl CS-0329043 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.8 NCC(F)(F)CO CS-D0487 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.9 CCC(C#N)CC CS-0179161 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.9 CCC(CC)=NO CS-0248514 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.9 CCC(CC)CN CS-0211034 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.9 CCC(CC)NC CS-W000153 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.9 CCC(CC)NN CS-0261341 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.9 CCC(CN)CO CS-0217124 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.9 CCC(CO)OC CS-0447197 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.9 CO[C@H](CN)CO CS-0309906 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.9 OCC(CO)=NO CS-0320200 [0,1,0,0,0,0|0,0,1]=2 136 B6R1.2 BrC1CCNC1 CS-0256433 [0,0,0,1,0,0|3,0,0]=4 137 B6R1.2 BrC1CCSC1 CS-0242008 [0,0,0,1,0,0|2,1,0]=4 138 B6R1.2 CC1CNOC1 CS-0745139 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.2 Cl[C@@H]1CCNC1 CS-0445255 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.2 IC1CCNC1 CS-0058319 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.2 NC1CCSC1 CS-0184405 [0,0,0,1,0,0|2,1,0]=4 142 B6R1.2 N[C@H]1CCOC1 CS-0053253 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 OC1CCCO1 CS-0197674 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.2 O[C@@H]1CNOC1 CS-0060090 [0,0,0,1,0,0|1,0,0]=2 145 B6R1.2 [C@H]1(N)CCNC1 CS-W017772 [0,0,0,1,0,0|3,0,0]=4 146 B6R1.4 C[C@@H]1NC[C@H]1F CS-0433518 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.4 C[C@@H]1NC[C@H]1O CS-0045456 [0,0,0,1,0,0|2,0,0]=3 148 B6R1.4 C[C@H]1NC[C@@H]1F CS-0478353 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.4 C[C@H]1NC[C@@H]1O CS-0045457 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.4 C[C@H]1NC[C@H]1O CS-0045459 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.4 C[C@H]1NC[C@H]1O CS-0368655 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.6 ClCC1COC1 CS-0051702 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.6 NCC1CCN1 CS-0005437 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.6 NCC1COC1 CS-0053094 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.6 OCC1CNC1 CS-0045522 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.6 OCC1COC1 CS-W004925 [0,0,0,1,0,0|1,0,0]=2 157 B6R1.6 OC[C@@H]1CCN1 CS-W018891 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.6 OC[C@H]1CCO1 CS-0120764 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.7 CC1(CO)CO1 CS-0089842 [0,0,0,1,0,0|1,0,0]=2 160 B6R1.7 CCC1(O)CC1 CS-0185336 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.8 CC1CC1CN CS-0248472 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.8 OC[C@@H]1C[C@H]1F CS-0447822 [0,0,0,1,0,0|2,0,0]=3 163 B3R0.1 BrCCI CS-0210895 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.1 CCNC CS-0433089 [2,0,0,0,0,0|2,0,0]=4 165 B3R0.1 NCCN CS-W012035 [2,0,0,0,0,0|2,0,0]=4 166 B3R0.2 CC(=O)O CS-0452080 [2,0,0,0,0,0|0,0,2]=4 167 B3R0.2 CC(Br)Br CS-0207046 [2,0,0,0,0,0|2,0,0]=4 168 B3R0.2 CC(C)C CS-0088231 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.2 CC(C)[O-] CS-0870864 [2,0,0,0,0,0|0,0,1]=3 170 B3R0.2 CC(Cl)Br CS-0207268 [2,0,0,0,0,0|2,0,0]=4 171 B3R0.2 CN(C)C CS-0852207 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.2 C[PH+](C)C CS-0085100 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.2 C[Zr](C)=O CS-0111413 [2,0,0,0,0,0|1,0,1]=4 174 B3R0.2 O=C(O)O CS-0188062 [2,0,0,0,0,0|0,0,2]=4 175 B3R0.2 O[Cr](O)O CS-0204740 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.1 C=C(C)CON CS-0158063 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.1 CC#CC(C)O CS-0264164 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.1 CC(Br)CC#N CS-0621908 [1,1,0,0,0,0|2,0,0]=4 179 B5R0.1 CC(Br)CCBr CS-0186296 [1,1,0,0,0,0|2,0,0]=4 180 B5R0.1 CC(Br)CCO CS-0902584 [1,1,0,0,0,0|1,0,0]=3 181 B5R0.1 CC(C)CCN CS-0214104 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.1 CC(Cl)CCCl CS-0442069 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.1 CC(O)CCN CS-0113030 [1,1,0,0,0,0|1,0,0]=3 184 B5R0.1 CC(O)CCN CS-0113103 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.1 CC(O)CON CS-0154035 [1,1,0,0,0,0|0,0,0]=2 186 B5R0.1 CCCC(C)N CS-0216448 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.1 CCOC(C)Cl CS-0233243 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.1 CC\N=C(\C)O CS-W011352 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.1 CNCC(C)C CS-0252120 [1,1,0,0,0,0|2,0,0]=4 190 B5R0.1 COCC(C)Br CS-0139276 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.1 COCC(C)N CS-0148794 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.1 C\C=C\C(C)O CS-0187943 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.4 CC(C)(C)CCl CS-0272708 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.4 CC(C)(N)CN CS-0217342 [1,1,0,0,0,0|2,0,0]=4 195 B5R0.4 CC(C)(O)CN CS-0171835 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.4 CC(C)(S)CO CS-0159069 [1,1,0,0,0,0|0,1,0]=3 197 B5R0.4 CCC(C)(C)I CS-0238650 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.4 O=P(O)(O)CCl CS-0328214 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.4 O=P(O)(O)CO CS-0757558 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.5 CC(Cl)C(Cl)Cl CS-0622374 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.5 CC(N)[PH](=O)O CS-0877877 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.5 CC(O)C(=O)O CS-0945561 [1,1,0,0,0,0|0,0,1]=3 203 B5R0.5 C[C@@H](O)C(=N)N CS-0215453 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.5 C[C@@H](O)C(=O)[O-] CS-0236856 [1,1,0,0,0,0|0,0,2]=4 205 B5R0.2 C=C=CCCO CS-0246741 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.2 C=CCCCN CS-0072974 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.2 C=CCCON CS-0215003 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.2 CC#CCCO CS-0143647 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.2 CCCCCF CS-0716626 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.2 CCCCCN CS-0214092 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.2 CCCCNN CS-0667621 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.2 CCCCO[Ti] CS-0111516 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.2 CCSCCBr CS-0232073 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.2 CC\C=C/CO CS-0074371 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.2 CNCCOC CS-0250483 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.2 COCCCI CS-0236599 [1,1,0,0,0,0|1,0,0]=3 217 B5R0.2 COCCCN CS-0162830 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.2 COCCNN CS-0035845 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.2 COCCOC CS-0835969 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.2 CSCCCN CS-0204914 [1,1,0,0,0,0|1,1,0]=4 221 B5R0.2 CSCCCN CS-0516616 [1,1,0,0,0,0|1,1,0]=4 222 B5R0.2 ClCCOCCl CS-W013455 [1,1,0,0,0,0|2,0,0]=4 223 B5R0.2 N#CCCCI CS-0239629 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.2 N#CCCCN CS-0034835 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.2 NCCCCN CS-0214045 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.2 NCCCCN CS-0468676 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.2 NNCCCO CS-0047562 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.2 OCCCCI CS-0130048 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.2 OCCCCO CS-0637550 [1,1,0,0,0,0|0,0,0]=2 230 B7R0.2 CC(C)CC(O)CN CS-0262435 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.2 CC(C)CC(O)CN CS-0274062 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.2 CC(CN)CC(=O)O CS-0020588 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.2 CCC(C)CB(O)O CS-0697192 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.2 CCC(N)CC(=O)O CS-0172209 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.2 CC[C@@H](N)CC(=O)O CS-0172026 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.2 CC[C@H](N)CC(=O)O CS-0153929 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.2 CC[C@H](N)CC(=O)O CS-0172024 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.2 CN(C)CC(O)CN CS-0216011 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.2 CN(C)C[C@@H](O)CO CS-0504629 [0,2,0,0,0,0|1,0,0]=3 240 B7R0.2 CN(C)C[C@H](O)CO CS-0468289 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.2 NCC(N)CC(=O)O CS-0260960 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.2 NCC(O)CC(=O)O CS-0013138 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.3 CCC(C)NCCO CS-0239442 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.3 CCCCC(C)CO CS-0297350 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.3 CCCCC(O)CC CS-0137777 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.3 CCCC[C@H](N)CO CS-0089877 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.3 CCOCC(O)CN CS-0128931 [0,2,0,0,0,0|1,0,0]=3 248 B7R0.3 CC[C@H](C)CCCO CS-0198766 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.3 COCCC(C)CN CS-0242646 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.3 COCO[C@H](C)CO CS-0732322 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.3 CSCC[C@@H](N)CO CS-0088128 [0,2,0,0,0,0|1,1,0]=4 252 B7R0.3 OCCCC(O)CO CS-0207492 [0,2,0,0,0,0|0,0,0]=2 253 B7R0.5 CC(C)C(C)CCO CS-0570786 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.5 CC(C)[C@@H](N)CCO CS-0572776 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.5 CCCC(O)C(=O)O CS-0062341 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.5 CCCC(O)C(C)C CS-0331622 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.5 CCOC(O)C(F)F CS-0179771 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.5 COCC(C)C(=O)O CS-0737187 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.7 C=CCC(O)CCC CS-0236276 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.7 CCNC(C)CCO CS-0309163 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.7 CCNC(C)COC CS-0248126 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.7 CNCC(O)COC CS-0071685 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.7 CNCC(O)COC CS-0248352 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.7 N#CCC(O)CC#N CS-0044178 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.7 O=S(CCO)CCO CS-0256472 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.10 CCC(=O)C(O)CC CS-W011231 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.10 CCC(C)C(N)CO CS-0262886 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.10 CCC(C)C(O)CC CS-0240206 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.10 CC[C@@H](C)[C@@H](N)CO CS-0552434 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.10 CC[C@H](C)[C@H](N)CO CS-0120436 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.10 COC(=O)C(O)CCl CS-0662697 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.10 O=C(CO)[C@@H](O)CO CS-0436802 [0,2,0,0,0,0|0,0,0]=2 273 B7R0.10 OCC(Br)C(Br)CO CS-0336551 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.10 O[C@H](CCl)[C@@H](O)CCl CS-0370619 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.11 CC(C)(CO)CCO CS-0147021 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.11 CCCC(C)(C)CO CS-0308552 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.11 CCCC(C)(O)CN CS-0260560 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.11 CCNC(C)(C)CO CS-0013020 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.11 COCC(C)(C)CN CS-0215038 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.11 COCC(C)(C)CN CS-0215084 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.11 COCC(C)(N)CN CS-0261159 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.11 COCC(C)(N)CO CS-0221917 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.12 CCC(CC)CCO CS-0230787 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.12 O=CNC(CO)CO CS-0258754 [0,2,0,0,0,0|0,0,1]=3 285 B7R0.13 CC(C)C(C)(O)CN CS-0260377 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.13 CC(N)(CO)C(=O)O CS-W013589 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.14 CC(C)(C)C(N)CO CS-0217571 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.14 CC(C)(O)[C@H](F)CN CS-0166657 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.14 CC(CO)C(C)(C)C CS-0246388 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.14 CCC(O)C(C)(C)C CS-0132258 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.15 CCC(CO)C(C)C CS-0152602 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.15 CCC(CO)N(C)C CS-0217260 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.15 CN(C)C(CO)CO CS-0151335 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.15 CN[C@@H](CO)C(=O)O CS-0187590 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.15 CN[C@H](CO)C(=O)O CS-0151242 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.15 COC(OC)C(C)O CS-0696223 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.15 COC(OC)[C@@H](C)O CS-0254441 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.15 COC(OC)[C@H](C)O CS-1054862 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.16 CC(O)C(N)C(=O)O CS-0154977 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0201886 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.18 C#CC(O)(CC)CC CS-0266179 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.18 CCC(C)(CO)CO CS-0207422 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.18 CCC(O)(CC)CC CS-0204667 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.18 CCC(O)(CC)CN CS-0252289 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.18 NC(CO)(CO)CO CS-0223093 [0,2,0,0,0,0|0,0,0]=2 306 B7R0.18 NC(CO)(CO)CO CS-0505162 [0,2,0,0,0,0|0,0,0]=2 307 B7R0.18 NC(CO)(CO)CO CS-0670373 [0,2,0,0,0,0|0,0,0]=2 308 B7R0.18 NC(CO)(CO)CO CS-0887440 [0,2,0,0,0,0|0,0,0]=2 309 B5R1.2 BrC1CNC1 CS-0659597 [1,0,0,1,0,0|2,0,0]=4 310 B5R1.2 IC1CCC1 CS-0131037 [1,0,0,1,0,0|2,0,0]=4 311 B5R1.2 IC1CNC1 CS-0054011 [1,0,0,1,0,0|2,0,0]=4 312 B5R1.2 SC1CNC1 CS-0049912 [1,0,0,1,0,0|1,1,0]=4 313 B5R1.3 FCC1CO1 CS-0238445 [1,0,0,1,0,0|1,0,0]=3 314 B5R1.4 NC1CC1F CS-0143346 [1,0,0,1,0,0|2,0,0]=4 315 B5R1.1 C1CCCC1 CS-0069724 [1,0,0,1,0,0|2,0,0]=4 316 B5R1.1 C1CCNC1 CS-0468677 [1,0,0,1,0,0|2,0,0]=4 317 B5R1.1 C1CCOC1 CS-0085484 [1,0,0,1,0,0|1,0,0]=3 318 B5R1.1 C1COCN1 CS-0214988 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.1 BrCC1CCCO1 CS-0052243 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.1 CNC1CCOC1 CS-0046706 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.1 ICC1CCCO1 CS-0225833 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.1 N#C[C@@H]1CCOC1 CS-0053250 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.1 N#C[C@H]1CCOC1 CS-0183413 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.1 NCC1CCOC1 CS-0048762 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.1 NCC1OCCO1 CS-D0489 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.1 NC[C@H]1CCCO1 CS-0469844 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.1 NNC1CCOC1 CS-0183421 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.1 OCC1CCNC1 CS-0048724 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.1 OCC1CCNC1 CS-0155220 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.1 OC[C@@H]1CCCN1 CS-0199747 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.1 OC[C@H]1CCNC1 CS-0053246 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.1 OC[C@H]1CCOC1 CS-0053313 [0,1,0,1,0,0|1,0,0]=3 333 B7R1.1 [C@@H]1(CO)CCNC1 CS-0044035 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.2 CC1CCC(O)C1 CS-0107204 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0020859 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.2 O=C1CC(O)CO1 CS-W013700 [0,1,0,1,0,0|0,0,1]=3 337 B7R1.2 O[C@H]1CC[C@@H](O)C1 CS-0049663 [0,1,0,1,0,0|1,0,0]=3 338 B7R1.3 NC1CCOCC1 CS-0439638 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.3 OC1CCCSC1 CS-0256670 [0,1,0,1,0,0|1,1,0]=4 340 B7R1.3 OC1COCOC1 CS-0249215 [0,1,0,1,0,0|0,0,0]=2 341 B7R1.3 O[C@@H]1CCCOC1 CS-0053086 [0,1,0,1,0,0|1,0,0]=3 342 B7R1.4 CC1CCCC1O CS-0464755 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.4 CC1CNCC1O CS-0486549 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.4 C[C@@H]1CNC[C@@H]1O CS-0184525 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.4 C[C@H]1CCC[C@@H]1O CS-0036071 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.4 NC1CCCC1O CS-W005452 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.4 NC1CNCC1O CS-0671458 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.4 NC1COCC1O CS-0112323 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0049679 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.4 N[C@H]1COC[C@@H]1O CS-0037840 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.4 OC1CCCC1Br CS-0527053 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.4 O[C@@H]1CCC[C@H]1F CS-0101190 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.4 O[C@@H]1COC[C@H]1F CS-0309512 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.4 O[C@@H]1COC[C@H]1O CS-0132915 [0,1,0,1,0,0|0,0,0]=2 355 B7R1.4 O[C@H]1CCC[C@H]1Cl CS-0518472 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.4 O[C@H]1CNC[C@@H]1O CS-0047805 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.4 O[C@H]1CNC[C@@H]1O CS-0058679 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.6 COCC1CCN1 CS-0052226 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.6 COCC1CCN1 CS-0184090 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.6 COCC1CNC1 CS-0051676 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.6 COC[C@@H]1CCN1 CS-0052225 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.6 N#CCC1COC1 CS-0234775 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.6 OCCC1CNC1 CS-0044129 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.8 CN1CCC1CO CS-0343601 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.8 CN1CC[C@H]1CO CS-0172435 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.8 O=C1CCC1CO CS-0045469 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.10 CN1CC(CO)C1 CS-0185407 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.10 NC1CC(CO)C1 CS-0053387 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.10 NC1CC(CO)C1 CS-0055186 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.10 NCC1CC(O)C1 CS-0051730 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.10 NC[C@H]1C[C@@H](O)C1 CS-0021312 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.10 NC[C@H]1C[C@@H](O)C1 CS-0053932 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.10 NC[C@H]1C[C@H](O)C1 CS-0047821 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.10 OCC1CC(F)C1 CS-0053367 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.10 OC[C@H]1C[C@H](O)C1 CS-0492107 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.21 CC1(CCO)CC1 CS-0088475 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.21 COCC1(N)CC1 CS-0088505 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.22 NCC(O)C1CC1 CS-0128613 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.25 C=CC1(O)COC1 CS-B1109 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.25 CC1(CCl)COC1 CS-0051705 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.25 CC1(CN)COC1 CS-0133586 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.25 CC1(CO)CNC1 CS-0053358 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.25 CCC1(O)CNC1 CS-0051380 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.25 CCC1(O)CNC1 CS-0185337 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.25 CCC1(O)COC1 CS-0163084 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.25 NCC1(F)COC1 CS-0045511 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.25 OCC1(F)CCC1 CS-0183328 [0,1,0,1,0,0|2,0,0]=4 388 B7R1.25 OCC1(F)CNC1 CS-0060757 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.17 CC1(C)NCC1O CS-0502438 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.18 CC(O)C1CNC1 CS-0052852 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.18 C[C@H](O)C1CCC1 CS-0144927 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.23 CC1(C)CC1CO CS-0238975 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.23 CC1(C)OC1CO CS-0784298 [0,1,0,1,0,0|1,0,0]=3 394 B7R1.23 OCC1CC1(Cl)Cl CS-0116800 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.14 CC1(N)CCOC1 CS-0051244 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.29 CCC1(CCl)CO1 CS-0208164 [0,1,0,1,0,0|2,0,0]=4