0 B7R0.4 C#CCCCC(=O)O CS-W009272 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C#CCOCC(=O)O CS-0070099 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C=CCCCC(=O)O CS-0113496 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 CC(=O)CCCCCl CS-W013363 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.4 CC(=O)OCCCI CS-0166646 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 CC(C)CCCCBr CS-0154231 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CC(C)CCCCO CS-W011227 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.4 CC(O)CCCCO CS-0572924 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.4 CC(O)CSCCO CS-0159777 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 CCCCCB(O)O CS-W018820 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 CCCCCC(C)O CS-W016595 [0,0,0,0,0,0|0,0,2]=2 12 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [0,0,0,0,0,0|0,0,2]=2 13 B7R0.4 CCCCC[C@H](C)O CS-0179417 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.4 CCCCNC(N)=O CS-0071736 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.4 CCCCNC(N)=S CS-0132422 [0,0,0,0,0,0|2,1,0]=3 16 B7R0.4 CCCCOC(=S)[S-] CS-0187867 [0,0,0,0,0,0|2,1,0]=3 17 B7R0.4 CCCNCC(=O)O CS-0250530 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.4 CCCOCC(=O)O CS-0152048 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.4 CCCSCC(=O)O CS-0651549 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [0,0,0,0,0,0|0,0,2]=2 22 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.4 CN(C)CCCCCl CS-0059660 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.4 CN(C)CCCCN CS-0206346 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.4 CN(C)CCCCN CS-0669419 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.4 CN(C)CCCCO CS-W022016 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.4 CNCCCC(=O)O CS-0096860 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.4 CNCCCC(=O)O CS-0133777 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.4 COCCCC(=O)O CS-W001021 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.4 COCCNC(N)=S CS-0150176 [0,0,0,0,0,0|3,1,0]=4 32 B7R0.4 COC\C=C\C(=O)O CS-0100437 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [0,0,0,0,0,0|1,0,2]=3 34 B7R0.4 N#CCCCC(=O)O CS-W018817 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.4 NC(=O)COCCCl CS-0149936 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.4 NCCCCC(=O)O CS-0181832 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.4 NCCCCC(=O)O CS-W016594 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.4 NCCNCC(=O)O CS-W013599 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.4 NCCOCC(=O)O CS-0115741 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.4 NCCOCC(=O)O CS-0115743 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.4 NCCOCC(=O)O CS-0127947 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.4 O=C(O)C#CCCO CS-0371334 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,0,0,0,0,0|2,0,0]=2 44 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,0,0,0,0,0|2,0,0]=2 45 B7R0.4 O=C(O)CNCCO CS-0158315 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.4 O=C(O)COCCBr CS-0105329 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.4 O=C(O)COCCCl CS-W006556 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.4 O=C(O)COCCS CS-0115755 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.4 O=C(O)COCCS CS-0115757 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.4 O=C([O-])COCCO CS-0158309 [0,0,0,0,0,0|3,0,0]=3 51 B7R0.4 O=[N+]([O-])OCCCO CS-0213543 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.4 C#CCCC(=O)O CS-W008784 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.4 C#CCNC(C)=O CS-0434175 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.4 C#CCOC(C)=O CS-0158541 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.4 C=CCCC(=O)O CS-W009138 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.4 CC(=O)CCCCl CS-W013569 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.4 CC(=O)CCCO CS-0020001 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.4 CC(=O)NCCO CS-W013689 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 CC(=O)OCCBr CS-W007598 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.4 CC(=O)OCCN CS-0657679 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.4 CC(=O)OCCO CS-0154995 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 CC(Br)CCCBr CS-0204659 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.4 CC(C)=CCCBr CS-0155165 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.4 CC(C)CCCBr CS-0154233 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.4 CC(C)CCCO CS-W007511 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(O)CCCO CS-0154051 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.4 CCC#CC(=O)O CS-W013726 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.4 CCCCB(O)O CS-W000932 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.4 CCCCC(=N)N CS-0122242 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 CCCCC(N)=S CS-0248646 [1,0,0,0,0,0|1,1,0]=3 71 B6R0.4 CCCCS(=O)[O-] CS-0851776 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CCCC[C@@H](C)O CS-0179419 [1,0,0,0,0,0|0,0,2]=3 73 B6R0.4 CCCC[C@H](C)O CS-0179420 [1,0,0,0,0,0|0,0,2]=3 74 B6R0.4 CCCNC(C)=O CS-0246738 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.4 CCCOC(N)=O CS-W019060 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CCNCC(=O)O CS-0201673 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.4 CCNCC(C)C CS-0071534 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.4 CCOCC(=O)O CS-0071579 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.4 CCSCC(=O)O CS-0197336 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.4 CC\C=C\C(=O)O CS-0053528 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.4 CN(C)CCCBr CS-W003771 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.4 CN(C)CCCCl CS-W004690 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.4 CN(C)CCCCl CS-W019575 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.4 CN(C)CCCN CS-0214111 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.4 CNCCC(=O)O CS-0112815 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.4 CNCCC(=O)O CS-0169148 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.4 CNCCC(C)C CS-0039334 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.4 CNCCC(N)=O CS-0214971 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.4 CNCCN(C)C CS-W022914 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.4 COCCC(=O)O CS-W009112 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.4 CO\C=C\C(C)=O CS-0145411 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.4 CS(=O)CCCN CS-0286765 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.4 CSCCC(=O)O CS-6296 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.4 CSCCC(C)=O CS-0206726 [1,0,0,0,0,0|1,0,0]=2 96 B6R0.4 C[C@@H](N)CCCO CS-0634445 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.4 C[C@H](N)CCCO CS-0652529 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.4 C\C=C\CC(=O)O CS-0129103 [1,0,0,0,0,0|1,0,2]=4 99 B6R0.4 N#CCCC(=O)O CS-W018565 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.4 NC(=O)NCCCl CS-0317452 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.4 NCCCC(=O)O CS-W020704 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.4 NCCCC(N)=O CS-0103894 [1,0,0,0,0,0|2,0,0]=3 103 B6R0.4 NCCNC(N)=O CS-0139236 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.4 O=C(O)CCCBr CS-W016047 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.4 O=C(O)CCCCl CS-W013545 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.4 O=[N+]([O-])CCCO CS-0209456 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.6 BrCCCCCBr CS-W019956 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.6 C#CCCCCCl CS-0204489 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.6 C#CCCCCI CS-0088557 [1,0,0,0,0,0|1,0,2]=4 110 B6R0.6 C#CCCCCN CS-0059697 [1,0,0,0,0,0|1,0,2]=4 111 B6R0.6 C#CCCCCN CS-0106594 [1,0,0,0,0,0|1,0,2]=4 112 B6R0.6 C#CCCCCO CS-W016659 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.6 C=CCCCCBr CS-W008939 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.6 C=CCCCCN CS-0210385 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.6 C=CCCCCO CS-W013711 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.6 C=CCOCCO CS-0157967 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.6 CCCCCCI CS-0132388 [1,0,0,0,0,0|1,0,1]=3 118 B6R0.6 CCCCCCN CS-0196786 [1,0,0,0,0,0|1,0,1]=3 119 B6R0.6 CCCNCCC CS-0187381 [1,0,0,0,0,0|1,0,1]=3 120 B6R0.6 CCCNCCC CS-0214120 [1,0,0,0,0,0|1,0,1]=3 121 B6R0.6 CCCNCCO CS-0105782 [1,0,0,0,0,0|1,0,2]=4 122 B6R0.6 CCCOCCCl CS-0200392 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.6 CCC\C=C\C=O CS-0099263 [1,0,0,0,0,0|0,0,2]=3 124 B6R0.6 CCNCCCN CS-0151962 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.6 CCOCCCO CS-W013685 [1,0,0,0,0,0|1,0,2]=4 126 B6R0.6 CNCCCCBr CS-0163109 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.6 CNCCCCO CS-W006493 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.6 COCCCCBr CS-W021313 [1,0,0,0,0,0|2,0,0]=3 129 B6R0.6 COCCCCCl CS-0039726 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.6 COCCCCO CS-0150179 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.6 CSCCCCO CS-0204406 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.6 ClCCCCCBr CS-W016940 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.6 ClCCCCCI CS-0135342 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.6 FCCCCCBr CS-W005161 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.6 ICCCCCI CS-0041009 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.6 N#CCCCCBr CS-D1429 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.6 N#CCCCCCl CS-W022361 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.6 NCCCCCBr CS-0006784 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.6 NCCCCCN CS-W017466 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.6 NCCCCCO CS-W013687 [1,0,0,0,0,0|1,0,2]=4 141 B6R0.6 OCCCCCBr CS-0905394 [1,0,0,0,0,0|1,0,2]=4 142 B6R0.6 OCCCCCBr CS-W007393 [1,0,0,0,0,0|1,0,2]=4 143 B6R0.6 OCCCCCCl CS-0095410 [1,0,0,0,0,0|1,0,2]=4 144 B6R0.6 OCCCCCI CS-0252955 [1,0,0,0,0,0|1,0,2]=4 145 B6R0.6 OCCCCCO CS-W020635 [1,0,0,0,0,0|1,0,2]=4 146 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [0,1,0,0,0,0|1,0,0]=2 148 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [0,1,0,0,0,0|1,0,1]=3 151 B8R0.5 CCOC(=O)CC(N)=O CS-W002214 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.5 COCC(C)OC(C)=O CS-0198137 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.6 C#CC(O)CCCCC CS-W011154 [0,1,0,0,0,0|0,0,3]=4 154 B8R0.6 C#CCCCC(=O)OC CS-0127624 [0,1,0,0,0,0|0,0,2]=3 155 B8R0.6 C=CC(=O)CCCCC CS-0168504 [0,1,0,0,0,0|0,0,1]=2 156 B8R0.6 C=CC(=O)NCCCC CS-0152107 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.6 C=CC(O)CCCCC CS-W011126 [0,1,0,0,0,0|0,0,3]=4 158 B8R0.6 C=CCCCC(=O)OC CS-0015919 [0,1,0,0,0,0|0,0,2]=3 159 B8R0.6 CCCCCC(=O)NN CS-0152328 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.6 CCCCCC(O)CC CS-0152331 [0,1,0,0,0,0|0,0,2]=3 161 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [0,1,0,0,0,0|0,0,2]=3 162 B8R0.6 CCCCNC(=O)CCl CS-0116592 [0,1,0,0,0,0|1,0,0]=2 163 B8R0.6 CCCCOC(=O)CN CS-0571899 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.6 CCCCOC(=O)CS CS-0297731 [0,1,0,0,0,0|1,0,0]=2 165 B8R0.6 CCC\C=C\C(=O)OC CS-W013465 [0,1,0,0,0,0|0,0,2]=3 166 B8R0.6 CNCCCC(=O)OC CS-0112438 [0,1,0,0,0,0|1,0,0]=2 167 B8R0.6 COC(=O)CCCC#N CS-0216788 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,1,0,0,0,0|1,0,0]=2 169 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,1,0,0,0,0|1,0,0]=2 170 B8R0.6 COC(=O)CCCCN CS-0018002 [0,1,0,0,0,0|1,0,0]=2 171 B8R0.6 COC(=O)CCCCO CS-0021769 [0,1,0,0,0,0|1,0,0]=2 172 B8R0.6 COC(=O)COCCCl CS-0209481 [0,1,0,0,0,0|2,0,0]=3 173 B8R0.6 COCCCC(=O)OC CS-W011093 [0,1,0,0,0,0|1,0,0]=2 174 B8R0.6 COC\C=C\C(=O)OC CS-0528723 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.6 O=C(CCCCO)O[Na] CS-0047732 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,1,0,0,0,0|1,0,1]=3 177 B8R0.7 C#CCCOCC(=O)O CS-0614377 [0,1,0,0,0,0|1,0,2]=4 178 B8R0.7 C#CCOCCC(=O)O CS-0108409 [0,1,0,0,0,0|1,0,2]=4 179 B8R0.7 C=CCCCCC(=O)O CS-0097711 [0,1,0,0,0,0|1,0,1]=3 180 B8R0.7 CC(=O)NCCCCN CS-0453679 [0,1,0,0,0,0|1,0,0]=2 181 B8R0.7 CC(=O)OCCCCCl CS-W010967 [0,1,0,0,0,0|1,0,0]=2 182 B8R0.7 CC(C)CCCCCO CS-0210352 [0,1,0,0,0,0|1,0,1]=3 183 B8R0.7 CC(C)CCCCCO CS-0641181 [0,1,0,0,0,0|1,0,1]=3 184 B8R0.7 CC(C)NCCCCO CS-M3069 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.7 CCCCCCB(O)O CS-W000880 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.7 CCCCCCC(C)=O CS-W011125 [0,1,0,0,0,0|0,0,0]=1 187 B8R0.7 CCCCCCC(C)Br CS-0182749 [0,1,0,0,0,0|1,0,1]=3 188 B8R0.7 CCCCCCC(C)O CS-W011107 [0,1,0,0,0,0|0,0,2]=3 189 B8R0.7 CCCCCC[C@@H](C)N CS-0204339 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [0,1,0,0,0,0|0,0,2]=3 191 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [0,1,0,0,0,0|0,0,2]=3 192 B8R0.7 CCCCOCC(=O)O CS-0152080 [0,1,0,0,0,0|1,0,0]=2 193 B8R0.7 CN(C)CCCCCN CS-0044781 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.7 CN(C)CCOCCO CS-W011078 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.7 COCCOCC(=O)O CS-0084611 [0,1,0,0,0,0|2,0,0]=3 196 B8R0.7 COCCOCC(=O)O CS-0527879 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.7 COCCOCC(=O)O CS-0527882 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.7 FC(F)CCCCCBr CS-0639269 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.7 N=C(N)NCCCCN CS-0058963 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.7 NC(=O)CCCCCBr CS-0138401 [0,1,0,0,0,0|1,0,0]=2 201 B8R0.7 NCCCCCC(=O)O CS-2204 [0,1,0,0,0,0|1,0,0]=2 202 B8R0.7 NCCCCCC(N)=O CS-0137981 [0,1,0,0,0,0|1,0,0]=2 203 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,1,0,0,0,0|1,0,0]=2 204 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,1,0,0,0,0|1,0,0]=2 205 B8R0.7 O=C(O)CCCCCO CS-0158392 [0,1,0,0,0,0|1,0,0]=2 206 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [0,1,0,0,0,0|1,0,0]=2 207 B8R0.7 O=C(O)CCOCCBr CS-0107735 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.7 O=C(O)CCOCCO CS-0066172 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.7 O=C(O)CCOCCO CS-0528773 [0,1,0,0,0,0|2,0,0]=3 210 B8R0.7 O=C([O-])CCCCCO CS-0158395 [0,1,0,0,0,0|1,0,0]=2 211 B8R0.8 C=CCC[C@@H](N)C(=O)O CS-0100555 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,1,0,0,0,0|1,0,0]=2 215 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [0,1,0,0,0,0|1,0,0]=2 218 B8R0.8 CSCCC(N)C(=O)O CS-0008889 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.8 CSCC[C@@H](N)C(=O)O CS-7880 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.8 CSCC[C@H](N)C(=O)O CS-W020566 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.8 CSCC[C@H](N)C(N)=O CS-W016972 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.8 C[Se]CCC(N)C(=O)O CS-4494 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.8 C[Se]CC[C@H](N)C(=O)O CS-5178 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.8 NCCCC(N)C(=O)O CS-0136494 [0,1,0,0,0,0|2,0,0]=3 226 B8R0.8 NCCC[C@@H](N)C(=O)O CS-0020076 [0,1,0,0,0,0|2,0,0]=3 227 B8R0.8 NCCC[C@H](N)C(=O)O CS-0159620 [0,1,0,0,0,0|2,0,0]=3 228 B8R0.8 NCCC[C@H](N)C(=O)O CS-4817 [0,1,0,0,0,0|2,0,0]=3 229 B8R0.8 [C@H](N)(CCCN)C(=O)O CS-W017734 [0,1,0,0,0,0|2,0,0]=3 230 B8R0.9 CC(=O)OCC(=O)CCl CS-W018134 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.9 CNC(=O)CNC(C)=O CS-0277639 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [0,1,0,0,0,0|1,0,1]=3 235 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.21 CCCCOS(C)(=O)=O CS-W018582 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.21 COCCOS(C)(=O)=O CS-W018040 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.21 NCCCCP(=O)(O)O CS-W019288 [0,1,0,0,0,0|3,0,0]=4 242 B8R0.21 O=S(=O)(O)CCCCO CS-0132130 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.21 O=S(=O)([O-])CCCCO CS-0465125 [0,1,0,0,0,0|3,0,0]=4 244 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,1,0,0,0,0|0,0,2]=3 245 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [0,1,0,0,0,0|1,0,1]=3 246 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [0,1,0,0,0,0|0,0,0]=1 247 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.28 CC(=O)OCC=C(C)C CS-W011131 [0,1,0,0,0,0|1,0,2]=4 249 B8R0.28 CC(=O)OCOC(C)=O CS-W004911 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [0,1,0,0,0,0|0,0,2]=3 252 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [0,1,0,0,0,0|1,0,1]=3 253 B8R0.28 CC(C)CNCC(C)C CS-0154216 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [0,1,0,0,0,0|1,0,0]=2 256 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,1,0,0,0,0|2,0,0]=3 258 B8R0.28 NC(=O)CCCC(N)=O CS-0012581 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.28 O=C(O)CCCC(=O)O CS-W009536 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.28 O=C(O)CCC[N+](=O)[O-] CS-0198123 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,0,0,1,0,0|1,0,2]=4 262 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [0,0,0,1,0,0|1,0,2]=4 263 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,0,0,1,0,0|1,0,0]=2 264 B8R1.1 CCC1COC(=O)N1 CS-0447690 [0,0,0,1,0,0|2,0,0]=3 265 B8R1.1 CCC1COC(=O)O1 CS-0187002 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.1 CN1CCC(CO)C1 CS-0005413 [0,0,0,1,0,0|3,0,0]=4 268 B8R1.1 CN1CC[C@@H](CO)C1 CS-D0333 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.1 CN[C@@H]1CCN(C)C1 CS-0053320 [0,0,0,1,0,0|3,0,0]=4 270 B8R1.1 COC1=CC(=O)CC1 CS-0040746 [0,0,0,1,0,0|1,0,2]=4 271 B8R1.1 COC1CCC(N)C1 CS-0051286 [0,0,0,1,0,0|2,0,1]=4 272 B8R1.1 N#C[C@@H]1CCC(=O)C1 CS-0056414 [0,0,0,1,0,0|1,0,1]=3 273 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [0,0,0,1,0,0|2,0,0]=3 276 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [0,0,0,1,0,0|2,0,0]=3 277 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [0,0,0,1,0,0|2,0,0]=3 279 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,0,0,1,0,0|1,0,0]=2 281 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [0,0,0,1,0,0|2,0,0]=3 282 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [0,0,0,1,0,0|2,0,0]=3 283 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [0,0,0,1,0,0|2,0,0]=3 284 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [0,0,0,1,0,0|3,0,0]=4 287 B8R1.1 O=C1NCC(CO)O1 CS-0113076 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.1 O=C1NC[C@@H](CCl)O1 CS-0186187 [0,0,0,1,0,0|3,0,0]=4 289 B8R1.1 O=C1NC[C@@H](CO)O1 CS-0067235 [0,0,0,1,0,0|3,0,0]=4 290 B8R1.1 O=C1NC[C@H](CCl)O1 CS-0436811 [0,0,0,1,0,0|3,0,0]=4 291 B8R1.1 O=C1NC[C@H](CO)O1 CS-0131343 [0,0,0,1,0,0|3,0,0]=4 292 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [0,0,0,1,0,0|3,0,0]=4 293 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [0,0,0,1,0,0|3,0,0]=4 294 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,0,0,1,0,0|3,0,0]=4 295 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [0,0,0,1,0,0|3,0,0]=4 296 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [0,0,0,1,0,0|3,0,0]=4 297 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,0,0,1,0,0|0,0,2]=3 298 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,0,0,1,0,0|1,0,0]=2 299 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,0,0,1,0,0|1,0,0]=2 300 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,0,0,1,0,0|1,0,0]=2 301 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,0,0,1,0,0|1,0,0]=2 302 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,0,0,1,0,0|1,0,1]=3 303 B8R1.4 CC1CN(C)CCN1 CS-0173710 [0,0,0,1,0,0|3,0,0]=4 304 B8R1.4 CC1CNCC(C)N1 CS-W013629 [0,0,0,1,0,0|2,0,1]=4 305 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,0,0,1,0,0|2,0,0]=3 306 B8R1.4 CC1COCC(C)N1 CS-0075433 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.4 CN1CCCC(N)C1 CS-W003989 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [0,0,0,1,0,0|2,0,1]=4 309 B8R1.4 CN1CCC[C@@H](N)C1 CS-0053341 [0,0,0,1,0,0|2,0,1]=4 310 B8R1.4 CN1CCC[C@H](N)C1 CS-0053774 [0,0,0,1,0,0|2,0,1]=4 311 B8R1.4 CN1CCC[C@H](N)C1 CS-W021153 [0,0,0,1,0,0|2,0,1]=4 312 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,0,0,1,0,0|2,0,0]=3 313 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,0,0,1,0,0|2,0,0]=3 314 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,0,0,1,0,0|1,0,0]=2 315 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,0,0,1,0,0|1,0,0]=2 316 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0006865 [0,0,0,1,0,0|3,0,0]=4 317 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0067514 [0,0,0,1,0,0|3,0,0]=4 318 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-0088046 [0,0,0,1,0,0|1,0,2]=4 320 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-W005832 [0,0,0,1,0,0|1,0,2]=4 321 B8R1.4 C[C@@H]1CNC[C@H](C)C1 CS-0139658 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,0,0,1,0,0|2,0,0]=3 323 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0084653 [0,0,0,1,0,0|2,0,1]=4 324 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0112796 [0,0,0,1,0,0|2,0,1]=4 325 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,0,0,1,0,0|1,0,0]=2 326 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0015754 [0,0,0,1,0,0|1,0,1]=3 327 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0995219 [0,0,0,1,0,0|1,0,1]=3 328 B8R1.4 C[C@H]1CN(C)CCN1 CS-0054951 [0,0,0,1,0,0|3,0,0]=4 329 B8R1.4 C[C@H]1CN(C)CCN1 CS-0183803 [0,0,0,1,0,0|3,0,0]=4 330 B8R1.4 C[C@H]1CNC[C@@H](C)N1 CS-W013630 [0,0,0,1,0,0|2,0,1]=4 331 B8R1.4 C[C@H]1CNC[C@@H](C)O1 CS-0008437 [0,0,0,1,0,0|1,0,2]=4 332 B8R1.4 C[C@H]1CNC[C@H](C)O1 CS-0102294 [0,0,0,1,0,0|1,0,2]=4 333 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,0,0,1,0,0|2,0,0]=3 334 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0049722 [0,0,0,1,0,0|2,0,1]=4 335 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0057260 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0102260 [0,0,0,1,0,0|2,0,1]=4 337 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0147828 [0,0,0,1,0,0|2,0,1]=4 338 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,0,0,1,0,0|1,0,2]=4 339 B8R1.4 NC1CCCC(N)C1 CS-0129557 [0,0,0,1,0,0|2,0,1]=4 340 B8R1.4 NC1CCCC(O)C1 CS-W005423 [0,0,0,1,0,0|1,0,2]=4 341 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,0,0,1,0,0|2,0,0]=3 342 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0047790 [0,0,0,1,0,0|1,0,2]=4 343 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0134685 [0,0,0,1,0,0|1,0,2]=4 344 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0112892 [0,0,0,1,0,0|1,0,2]=4 345 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0047588 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.4 O=C1C=C(Cl)CCC1 CS-0180958 [0,0,0,1,0,0|1,0,2]=4 347 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,0,0,1,0,0|2,0,0]=3 348 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,0,0,1,0,0|1,0,1]=3 349 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,0,0,1,0,0|2,0,0]=3 351 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,0,0,1,0,0|2,0,0]=3 352 B8R1.6 COCC1CC(=O)C1 CS-0416147 [0,0,0,1,0,0|1,0,0]=2 353 B8R1.7 CC(=O)C1=NCCS1 CS-W002515 [0,0,0,1,0,0|2,0,1]=4 354 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,0,0,1,0,0|0,0,0]=1 355 B8R1.7 CC(=O)N1CCCC1 CS-0055117 [0,0,0,1,0,0|1,0,0]=2 356 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [0,0,0,1,0,0|2,0,1]=4 357 B8R1.7 CC(N)C1CCCC1 CS-0052581 [0,0,0,1,0,0|1,0,1]=3 358 B8R1.7 CC(N)C1CCOC1 CS-0263398 [0,0,0,1,0,0|2,0,1]=4 359 B8R1.7 CC(O)C1CCCC1 CS-0144924 [0,0,0,1,0,0|0,0,2]=3 360 B8R1.7 CN(C)C1CCNC1 CS-0022389 [0,0,0,1,0,0|3,0,0]=4 361 B8R1.7 CN(C)[C@@H]1CCNC1 CS-W002496 [0,0,0,1,0,0|3,0,0]=4 362 B8R1.7 CN(C)[C@@H]1CCNC1 CS-W005785 [0,0,0,1,0,0|3,0,0]=4 363 B8R1.7 CN(C)[C@H]1CCNC1 CS-W002497 [0,0,0,1,0,0|3,0,0]=4 364 B8R1.7 C[C@H](N)C1CCCC1 CS-0135384 [0,0,0,1,0,0|1,0,1]=3 365 B8R1.7 NC(=O)C1CC=CC1 CS-0149959 [0,0,0,1,0,0|1,0,2]=4 366 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [0,0,0,1,0,0|1,0,0]=2 367 B8R1.7 NC(=O)C1CCCN1 CS-0450473 [0,0,0,1,0,0|2,0,0]=3 368 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [0,0,0,1,0,0|2,0,0]=3 369 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [0,0,0,1,0,0|2,0,0]=3 370 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [0,0,0,1,0,0|2,0,0]=3 371 B8R1.7 NC(=O)[C@H]1CCCN1 CS-W013637 [0,0,0,1,0,0|2,0,0]=3 372 B8R1.7 NC(=O)[C@H]1CCNC1 CS-0053244 [0,0,0,1,0,0|2,0,0]=3 373 B8R1.7 NC(=S)C1CCCC1 CS-0468896 [0,0,0,1,0,0|1,1,0]=3 374 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [0,0,0,1,0,0|1,0,2]=4 375 B8R1.7 O=C(O)C1CC=CC1 CS-W002373 [0,0,0,1,0,0|1,0,2]=4 376 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,0,0,1,0,0|1,0,0]=2 377 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [0,0,0,1,0,0|2,0,0]=3 378 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [0,0,0,1,0,0|2,0,0]=3 379 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [0,0,0,1,0,0|2,0,0]=3 380 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [0,0,0,1,0,0|2,0,0]=3 381 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [0,0,0,1,0,0|2,0,0]=3 382 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [0,0,0,1,0,0|2,0,0]=3 383 B8R1.7 O=C(O)C1CSCN1 CS-8024 [0,0,0,1,0,0|3,0,0]=4 384 B8R1.7 O=C(O)C1NCCS1 CS-0204253 [0,0,0,1,0,0|3,0,0]=4 385 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [0,0,0,1,0,0|2,0,0]=3 386 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [0,0,0,1,0,0|2,0,0]=3 387 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [0,0,0,1,0,0|2,0,0]=3 388 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [0,0,0,1,0,0|2,0,0]=3 389 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [0,0,0,1,0,0|2,0,0]=3 390 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [0,0,0,1,0,0|3,0,0]=4 391 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [0,0,0,1,0,0|2,0,0]=3 392 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [0,0,0,1,0,0|2,0,0]=3 393 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [0,0,0,1,0,0|2,0,0]=3 394 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [0,0,0,1,0,0|2,0,0]=3 395 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [0,0,0,1,0,0|2,0,0]=3 396 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [0,0,0,1,0,0|3,0,0]=4 397 B8R1.7 OB(O)C1CCCC1 CS-W000955 [0,0,0,1,0,0|2,0,1]=4 398 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [0,0,0,1,0,0|2,0,0]=3 399 B8R1.19 CC1(C)CCCC1O CS-0072492 [0,0,0,1,0,0|2,0,1]=4 400 B8R1.19 C[C@@]1(O)CCC[C@H]1N CS-0105761 [0,0,0,1,0,0|1,0,2]=4 401 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,0,0,1,0,0|1,0,1]=3 402 B8R1.22 BrC1CCCCCC1 CS-0146614 [0,0,0,1,0,0|1,0,1]=3 403 B8R1.22 C=C1OCCCCO1 CS-W006464 [0,0,0,1,0,0|1,0,2]=4 404 B8R1.22 CC1CCCNCC1 CS-0199646 [0,0,0,1,0,0|2,0,1]=4 405 B8R1.22 CN1CCCNCC1 CS-W013631 [0,0,0,1,0,0|3,0,0]=4 406 B8R1.22 ClC1CCCCCC1 CS-0155300 [0,0,0,1,0,0|1,0,1]=3 407 B8R1.22 FC1CCCCNC1 CS-0308682 [0,0,0,1,0,0|2,0,1]=4 408 B8R1.22 NC1CCCCCC1 CS-0071927 [0,0,0,1,0,0|1,0,1]=3 409 B8R1.22 NC1CCCCNC1 CS-W002928 [0,0,0,1,0,0|2,0,1]=4 410 B8R1.22 NC1CCCNCC1 CS-0271304 [0,0,0,1,0,0|2,0,1]=4 411 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,0,0,1,0,0|2,0,1]=4 412 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [0,0,0,1,0,0|2,0,1]=4 413 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,0,0,1,0,0|0,0,2]=3 414 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,0,0,1,0,0|1,0,0]=2 415 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,0,0,1,0,0|1,0,0]=2 416 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,0,0,1,0,0|1,0,0]=2 417 B8R1.22 O=C1CCNCCN1 CS-W003673 [0,0,0,1,0,0|2,0,0]=3 418 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,0,0,1,0,0|2,0,0]=3 419 B8R1.22 O=C1COCCCN1 CS-0037454 [0,0,0,1,0,0|2,0,0]=3 420 B8R1.22 O=C1OCCCCO1 CS-0665438 [0,0,0,1,0,0|2,0,0]=3 421 B8R1.22 OC1=NCCNCC1 CS-W011246 [0,0,0,1,0,0|2,0,1]=4 422 B8R1.22 OC1CCCCCC1 CS-W013633 [0,0,0,1,0,0|0,0,2]=3 423 B8R1.22 OC1CCCCNC1 CS-0475252 [0,0,0,1,0,0|1,0,2]=4 424 B8R1.22 OC1CCCNCC1 CS-0038201 [0,0,0,1,0,0|1,0,2]=4 425 B8R1.34 CC(=O)NC1CNC1 CS-0048846 [0,0,0,1,0,0|2,0,0]=3 426 B8R1.34 CN(C)CC1CNC1 CS-0053101 [0,0,0,1,0,0|3,0,0]=4 427 B8R1.34 O=C(O)C=C1CCC1 CS-0045555 [0,0,0,1,0,0|1,0,2]=4 428 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [0,0,0,1,0,0|1,0,0]=2 429 B8R1.34 O=C(O)CC1COC1 CS-0045509 [0,0,0,1,0,0|2,0,0]=3 430 B8R1.35 O=C(O)C#CC1CC1 CS-0071182 [0,0,0,1,0,0|1,0,2]=4 431 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [0,0,0,1,0,0|1,0,0]=2 432 B8R1.35 O=C(O)\C=C\C1CC1 CS-B1741 [0,0,0,1,0,0|1,0,2]=4 433 B8R1.36 CCCCCC1CO1 CS-0205209 [0,0,0,1,0,0|0,0,2]=3 434 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O CS-0047826 [0,0,0,1,0,0|2,0,1]=4 435 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,0,0,1,0,0|2,0,1]=4 436 B8R1.72 CC1(F)CCNCC1 CS-0187010 [0,0,0,1,0,0|2,0,1]=4 437 B8R1.72 CC1(N)CCOCC1 CS-0039635 [0,0,0,1,0,0|2,0,1]=4 438 B8R1.72 CC1(N)CCOCC1 CS-W018780 [0,0,0,1,0,0|2,0,1]=4 439 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,0,0,1,0,0|0,0,2]=3 440 B8R1.72 CC1(O)CCCNC1 CS-0051242 [0,0,0,1,0,0|1,0,2]=4 441 B8R1.72 CC1(O)CCCNC1 CS-0183561 [0,0,0,1,0,0|1,0,2]=4 442 B8R1.72 CC1(O)CCNCC1 CS-B1024 [0,0,0,1,0,0|1,0,2]=4 443 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,0,0,1,0,0|1,0,2]=4 444 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,0,0,1,0,0|1,0,2]=4 445 B8R1.72 CC1(O)CCOCC1 CS-W006621 [0,0,0,1,0,0|1,0,2]=4 446 B8R1.72 C[C@@]1(O)CCCNC1 CS-0184477 [0,0,0,1,0,0|1,0,2]=4 447 B8R1.72 C[N+]1(C)CCCCC1 CS-W018164 [0,0,0,1,0,0|2,0,0]=3 448 B8R1.72 C[N+]1([O-])CCOCC1 CS-0226155 [0,0,0,1,0,0|2,0,1]=4 449 B8R1.72 C[N+]1([O-])CCOCC1 CS-0369372 [0,0,0,1,0,0|2,0,1]=4 450 B8R1.72 C[Si]1(C)CCNCC1 CS-0043662 [0,0,0,1,0,0|2,1,0]=4 451 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [0,0,0,1,0,0|2,0,0]=3 452 B8R1.72 N=S1(=O)CCNCC1 CS-0163183 [0,0,0,1,0,0|3,0,0]=4 453 B8R1.72 N=S1(=O)CCOCC1 CS-0134129 [0,0,0,1,0,0|3,0,0]=4 454 B8R1.72 O=S1(=O)CCCCN1 CS-W005956 [0,0,0,1,0,0|3,0,0]=4 455 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,0,0,1,0,0|3,0,0]=4 456 B8R1.72 O=S1(=O)CCNCC1 CS-W005419 [0,0,0,1,0,0|3,0,0]=4 457 B8R1.72 O=S1(=O)CCNCC1 CS-W009111 [0,0,0,1,0,0|3,0,0]=4 458 B8R1.72 O=S1(=O)CCOCC1 CS-0128435 [0,0,0,1,0,0|3,0,0]=4 459 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|1,0,0]=3 460 B5R0.1 CC(=O)CCN CS-0209803 [2,0,0,0,0,0|1,0,0]=3 461 B5R0.1 CC(=O)NCO CS-0061075 [2,0,0,0,0,0|2,0,0]=4 462 B5R0.1 CC(=O)OCBr CS-0090812 [2,0,0,0,0,0|2,0,0]=4 463 B5R0.1 CC(=O)OCCl CS-0139458 [2,0,0,0,0,0|2,0,0]=4 464 B5R0.1 CCCC(=N)N CS-W013544 [2,0,0,0,0,0|2,0,0]=4 465 B5R0.1 CCCC(=O)O CS-0977378 [2,0,0,0,0,0|1,0,0]=3 466 B5R0.1 CCCC(N)=O CS-0130522 [2,0,0,0,0,0|1,0,0]=3 467 B5R0.1 CCC[C@@H](C)N CS-0162182 [2,0,0,0,0,0|1,0,1]=4 468 B5R0.1 CCC[C@H](C)N CS-W006528 [2,0,0,0,0,0|1,0,1]=4 469 B5R0.1 CCNC(N)=O CS-W011351 [2,0,0,0,0,0|2,0,0]=4 470 B5R0.1 CCOC(C)=N CS-W008601 [2,0,0,0,0,0|2,0,0]=4 471 B5R0.1 CCOC(N)=O CS-4731 [2,0,0,0,0,0|2,0,0]=4 472 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|2,0,0]=4 473 B5R0.1 CNCC(=O)O CS-W018511 [2,0,0,0,0,0|2,0,0]=4 474 B5R0.1 CNCC(N)=O CS-W011178 [2,0,0,0,0,0|2,0,0]=4 475 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|2,0,0]=4 476 B5R0.1 CSCC(=O)O CS-0015159 [2,0,0,0,0,0|2,0,0]=4 477 B5R0.1 CSCC(N)=O CS-0150088 [2,0,0,0,0,0|2,0,0]=4 478 B5R0.1 CSCS(C)=O CS-0146450 [2,0,0,0,0,0|2,0,0]=4 479 B5R0.1 C\C=C\C(C)=O CS-0022376 [2,0,0,0,0,0|0,0,2]=4 480 B5R0.1 C\C=C\C(C)=O CS-0513711 [2,0,0,0,0,0|0,0,2]=4 481 B5R0.1 NC(=O)CCBr CS-0046169 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.1 NC(=O)CCCl CS-0204808 [2,0,0,0,0,0|2,0,0]=4 483 B5R0.1 NC(=O)CCO CS-0205185 [2,0,0,0,0,0|2,0,0]=4 484 B5R0.1 NCCC(=O)O CS-0668359 [2,0,0,0,0,0|2,0,0]=4 485 B5R0.1 NCCC(=O)O CS-W020126 [2,0,0,0,0,0|2,0,0]=4 486 B5R0.1 O=C(O)CCF CS-0038385 [2,0,0,0,0,0|2,0,0]=4 487 B5R0.1 O=C(O)CCI CS-0204563 [2,0,0,0,0,0|2,0,0]=4 488 B5R0.1 O=C(O)CCO CS-0147832 [2,0,0,0,0,0|2,0,0]=4 489 B5R0.2 BrCCCCBr CS-W020631 [2,0,0,0,0,0|2,0,0]=4 490 B5R0.2 C=CCCCI CS-0135974 [2,0,0,0,0,0|1,0,1]=4 491 B5R0.2 C=CCCNC CS-0197692 [2,0,0,0,0,0|1,0,1]=4 492 B5R0.2 CCCCON CS-0106180 [2,0,0,0,0,0|2,0,0]=4 493 B5R0.2 CCNCCO CS-0076051 [2,0,0,0,0,0|1,0,1]=4 494 B5R0.2 CCSCCN CS-0663845 [2,0,0,0,0,0|2,0,0]=4 495 B5R0.2 CC\C=C\C=O CS-0173472 [2,0,0,0,0,0|0,0,2]=4 496 B5R0.2 CNCCCCl CS-0150991 [2,0,0,0,0,0|2,0,0]=4 497 B5R0.2 CNCCCO CS-W007469 [2,0,0,0,0,0|1,0,1]=4 498 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|2,0,0]=4 499 B5R0.2 CSCCCO CS-0015993 [2,0,0,0,0,0|1,0,1]=4 500 B5R0.2 C\C=C\CCO CS-0162245 [2,0,0,0,0,0|1,0,1]=4 501 B5R0.2 ClCCCCBr CS-W017647 [2,0,0,0,0,0|2,0,0]=4 502 B5R0.2 ClCCCCI CS-W019348 [2,0,0,0,0,0|2,0,0]=4 503 B5R0.2 FCCCCBr CS-W018025 [2,0,0,0,0,0|2,0,0]=4 504 B5R0.2 ICCCCI CS-W004871 [2,0,0,0,0,0|2,0,0]=4 505 B5R0.2 NCCCCBr CS-W005399 [2,0,0,0,0,0|2,0,0]=4 506 B5R0.2 NCCCCCl CS-0158355 [2,0,0,0,0,0|2,0,0]=4 507 B5R0.2 NCCCCO CS-W002041 [2,0,0,0,0,0|1,0,1]=4 508 B5R0.2 OCCCCBr CS-W000344 [2,0,0,0,0,0|1,0,1]=4 509 B5R0.2 OCCCCCl CS-0022417 [2,0,0,0,0,0|1,0,1]=4 510 B5R0.2 OCCCCF CS-0116811 [2,0,0,0,0,0|1,0,1]=4 511 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,1,0,0,0,0|0,0,1]=3 512 B7R0.2 CCC(C)CC(=O)O CS-W011229 [1,1,0,0,0,0|1,0,0]=3 513 B7R0.2 CCC(C)CC(C)N CS-W016309 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.2 CCC(N)CC(=O)O CS-W021843 [1,1,0,0,0,0|1,0,0]=3 515 B7R0.2 CCN(C)CC(=O)O CS-0144155 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [1,1,0,0,0,0|1,0,0]=3 517 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.3 C#CCCC(=O)OC CS-0137200 [1,1,0,0,0,0|0,0,2]=4 521 B7R0.3 C=CCCC(=O)OC CS-0187527 [1,1,0,0,0,0|0,0,2]=4 522 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.3 CCCCC(O)CO CS-W013596 [1,1,0,0,0,0|0,0,2]=4 524 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [1,1,0,0,0,0|1,0,1]=4 525 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [1,1,0,0,0,0|1,0,1]=4 526 B7R0.3 CCCC\C(O)=N\N CS-W013606 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.3 CCCNC(=O)CCl CS-0074801 [1,1,0,0,0,0|1,0,0]=3 528 B7R0.3 CCCOC(=O)OC CS-0111112 [1,1,0,0,0,0|1,0,0]=3 529 B7R0.3 CNCCC(=O)OC CS-0150994 [1,1,0,0,0,0|1,0,0]=3 530 B7R0.3 COC(=O)CCC#N CS-W009546 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.3 COC(=O)CCCBr CS-W004701 [1,1,0,0,0,0|1,0,0]=3 532 B7R0.3 COC(=O)CCCCl CS-0001466 [1,1,0,0,0,0|1,0,0]=3 533 B7R0.3 COC(=O)CCCI CS-0001467 [1,1,0,0,0,0|1,0,0]=3 534 B7R0.3 COC(=O)CCCN CS-W019991 [1,1,0,0,0,0|1,0,0]=3 535 B7R0.3 COC(=O)CCSC CS-0128902 [1,1,0,0,0,0|1,0,0]=3 536 B7R0.3 COCCC(=O)OC CS-0072438 [1,1,0,0,0,0|1,0,0]=3 537 B7R0.3 NCCNC(=O)CCl CS-0697880 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.5 CC(=O)N(C)CCO CS-0112257 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [1,1,0,0,0,0|0,0,1]=3 540 B7R0.5 CCCC(C)C(=O)O CS-W011232 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.5 CCCC(N)C(=O)O CS-W011226 [1,1,0,0,0,0|1,0,0]=3 542 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [1,1,0,0,0,0|1,0,0]=3 543 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [1,1,0,0,0,0|1,0,0]=3 544 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [1,1,0,0,0,0|1,0,0]=3 545 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [1,1,0,0,0,0|2,0,0]=4 548 B7R0.5 COCC(Br)C(=O)O CS-0197352 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.5 COCC(N)C(=O)O CS-W013587 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [1,1,0,0,0,0|2,0,0]=4 554 B7R0.5 CSCC(N)C(=O)O CS-0071070 [1,1,0,0,0,0|2,0,0]=4 555 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [1,1,0,0,0,0|2,0,0]=4 557 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [1,1,0,0,0,0|2,0,0]=4 558 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.5 NC(CCS)C(=O)O CS-W021561 [1,1,0,0,0,0|2,0,0]=4 560 B7R0.5 NCCC(F)C(=O)O CS-0094454 [1,1,0,0,0,0|2,0,0]=4 561 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,1,0,0,0,0|2,0,0]=4 562 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [1,1,0,0,0,0|2,0,0]=4 563 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [1,1,0,0,0,0|0,0,1]=3 571 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [1,1,0,0,0,0|1,0,1]=4 572 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,1,0,0,0,0|0,0,1]=3 573 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [1,1,0,0,0,0|1,0,1]=4 574 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [1,1,0,0,0,0|0,0,2]=4 575 B7R0.6 CC(C)CCC(=O)O CS-W016598 [1,1,0,0,0,0|1,0,0]=3 576 B7R0.6 CC(C)CCC(C)O CS-0225168 [1,1,0,0,0,0|0,0,2]=4 577 B7R0.6 CC(C)OCC(=O)O CS-0005425 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.6 CC(N)CCC(=O)O CS-0276521 [1,1,0,0,0,0|1,0,0]=3 579 B7R0.6 CC(O)CCC(C)O CS-0377979 [1,1,0,0,0,0|0,0,2]=4 580 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.6 C[C@@H](O)CC[C@@H](C)O CS-0040431 [1,1,0,0,0,0|0,0,2]=4 582 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [1,1,0,0,0,0|1,0,0]=3 583 B7R0.6 C[C@H](O)CC[C@H](C)O CS-W013595 [1,1,0,0,0,0|0,0,2]=4 584 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.6 O=C(O)CCC(F)F CS-0375270 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.8 CCCCC(C)(C)O CS-0181812 [1,1,0,0,0,0|0,0,2]=4 587 B7R0.8 CCCC[N+](C)(C)C CS-0187556 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.8 CCCOS(C)(=O)=O CS-0152047 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.8 CS(=O)(=O)CCCBr CS-0142400 [1,1,0,0,0,0|2,0,0]=4 590 B7R0.8 CS(=O)(=O)CCCN CS-0150131 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.1 BrCCCCCCBr CS-0015831 [1,1,0,0,0,0|1,0,1]=4 593 B7R0.1 C#CCCCCCO CS-W007441 [1,1,0,0,0,0|0,0,2]=4 594 B7R0.1 C=CCCCCCBr CS-W009270 [1,1,0,0,0,0|0,0,1]=3 595 B7R0.1 C=CCCCCNC CS-0187593 [1,1,0,0,0,0|0,0,1]=3 596 B7R0.1 C=COCCCCO CS-0077087 [1,1,0,0,0,0|1,0,1]=4 597 B7R0.1 CCCCCCCBr CS-W017293 [1,1,0,0,0,0|0,0,1]=3 598 B7R0.1 CCCCCCCO CS-0152146 [1,1,0,0,0,0|0,0,1]=3 599 B7R0.1 CCCCNCCO CS-0077079 [1,1,0,0,0,0|0,0,2]=4 600 B7R0.1 CCCC\C=C\C=O CS-0185633 [1,1,0,0,0,0|0,0,1]=3 601 B7R0.1 CCCOCCCN CS-0213493 [1,1,0,0,0,0|1,0,1]=4 602 B7R0.1 CCNCCCCO CS-0206547 [1,1,0,0,0,0|0,0,2]=4 603 B7R0.1 CNCCOCCO CS-0209922 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.1 COCCOCCBr CS-0116183 [1,1,0,0,0,0|2,0,0]=4 605 B7R0.1 COCCOCCI CS-0150162 [1,1,0,0,0,0|2,0,0]=4 606 B7R0.1 COCCOCCN CS-0115786 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.1 COCCOCCN CS-0115787 [1,1,0,0,0,0|2,0,0]=4 608 B7R0.1 COCCOCCN CS-0115788 [1,1,0,0,0,0|2,0,0]=4 609 B7R0.1 COCCOCCN CS-0115790 [1,1,0,0,0,0|2,0,0]=4 610 B7R0.1 COCCOCCN CS-W008429 [1,1,0,0,0,0|2,0,0]=4 611 B7R0.1 COCCOCCO CS-0116122 [1,1,0,0,0,0|2,0,0]=4 612 B7R0.1 COCCOCCO CS-0644881 [1,1,0,0,0,0|2,0,0]=4 613 B7R0.1 COCCOCCO CS-0889987 [1,1,0,0,0,0|2,0,0]=4 614 B7R0.1 COCCOCCO CS-W013578 [1,1,0,0,0,0|2,0,0]=4 615 B7R0.1 COCCOCCS CS-0115760 [1,1,0,0,0,0|2,0,0]=4 616 B7R0.1 COCCOCCS CS-0115764 [1,1,0,0,0,0|2,0,0]=4 617 B7R0.1 COCCOCCS CS-0650914 [1,1,0,0,0,0|2,0,0]=4 618 B7R0.1 ClCCCCCCBr CS-W010503 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.1 ClCCCCCCCl CS-W016259 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.1 ClCCCCCCI CS-0059200 [1,1,0,0,0,0|1,0,1]=4 621 B7R0.1 ICCCCCCI CS-W011914 [1,1,0,0,0,0|1,0,1]=4 622 B7R0.1 N#CCCCCCBr CS-0158396 [1,1,0,0,0,0|1,0,1]=4 623 B7R0.1 N#CCCCCCN CS-0147655 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.1 NCCCCCCBr CS-0158390 [1,1,0,0,0,0|1,0,1]=4 625 B7R0.1 NCCCCCCN CS-W015964 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.1 NCCCCCCO CS-W007957 [1,1,0,0,0,0|0,0,2]=4 627 B7R0.1 NCCCCCCS CS-D0506 [1,1,0,0,0,0|0,1,1]=4 628 B7R0.1 OCCCCCCBr CS-0654104 [1,1,0,0,0,0|0,0,2]=4 629 B7R0.1 OCCCCCCBr CS-W017171 [1,1,0,0,0,0|0,0,2]=4 630 B7R0.1 OCCCCCCCl CS-B1599 [1,1,0,0,0,0|0,0,2]=4 631 B7R0.1 OCCCCCCO CS-W011221 [1,1,0,0,0,0|0,0,2]=4 632 B7R0.7 CCCC(Br)CCC CS-0106173 [1,1,0,0,0,0|0,0,1]=3 633 B7R0.7 CCCC(O)CCC CS-0132313 [1,1,0,0,0,0|0,0,1]=3 634 B7R0.7 CCC[C@H](N)CCO CS-0152589 [1,1,0,0,0,0|0,0,2]=4 635 B7R0.7 COCC(N)COC CS-W005488 [1,1,0,0,0,0|2,0,0]=4 636 B7R0.7 COCC(O)COC CS-W018661 [1,1,0,0,0,0|2,0,0]=4 637 B9R0.4 CC(=O)CC(=O)NCCO CS-0138442 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.4 CCCCC(C)OC(C)=O CS-0255972 [0,2,0,0,0,0|0,0,0]=2 639 B9R0.4 CSCC[C@@H](N)CC(=O)O CS-0196593 [0,2,0,0,0,0|1,0,0]=3 640 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0062044 [0,2,0,0,0,0|1,0,0]=3 641 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0150087 [0,2,0,0,0,0|1,0,0]=3 642 B9R0.6 CCC[C@@H](N)C(O)C(N)=O CS-M1863 [0,2,0,0,0,0|1,0,0]=3 643 B9R0.6 CCOC(=O)C(C)C(C)=O CS-W004822 [0,2,0,0,0,0|1,0,1]=4 644 B9R0.6 CCOC(=O)C(Cl)C(C)=O CS-W018512 [0,2,0,0,0,0|1,0,1]=4 645 B9R0.6 CCOC(=O)C(F)C(C)=O CS-0151900 [0,2,0,0,0,0|1,0,1]=4 646 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CS-W017140 [0,2,0,0,0,0|1,0,0]=3 647 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|0,0,1]=3 648 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,2,0,0,0,0|1,0,1]=4 649 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,2,0,0,0,0|1,0,1]=4 650 B9R0.34 CCOC(=O)CC(=O)NC CS-0151538 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.53 CC(=O)CC(=O)CC(C)C CS-0095754 [0,2,0,0,0,0|0,0,1]=3 653 B9R0.53 CC(=O)CC(=O)OC(C)C CS-0179766 [0,2,0,0,0,0|1,0,1]=4 654 B9R0.53 CC(C)CC(C)CC(C)O CS-0232992 [0,2,0,0,0,0|0,0,2]=4 655 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,2,0,0,0,0|1,0,0]=3 656 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,2,0,0,0,0|1,0,0]=3 657 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,2,0,0,0,0|1,0,0]=3 658 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,2,0,0,0,0|1,0,0]=3 659 B9R0.58 CCCC(C)(O)CC(=O)O CS-W021935 [0,2,0,0,0,0|1,0,0]=3 660 B9R0.1 C=CC(C)CCC=C(C)C CS-0699619 [0,2,0,0,0,0|1,0,1]=4 661 B9R0.1 COC(=O)CCCC(=O)O CS-W018239 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,2,0,0,0,0|0,0,1]=3 663 B9R0.1 COC(=O)CCC[N+](=O)[O-] CS-0039131 [0,2,0,0,0,0|2,0,0]=4 664 B9R0.5 C#CCCCC(=O)OCC CS-0532490 [0,2,0,0,0,0|0,0,2]=4 665 B9R0.5 CCCCOC(=O)CC#N CS-W016439 [0,2,0,0,0,0|1,0,0]=3 666 B9R0.5 CCC\C=C\C(=O)OCC CS-W018283 [0,2,0,0,0,0|0,0,2]=4 667 B9R0.5 CCOC(=O)CCCC#N CS-0151586 [0,2,0,0,0,0|1,0,1]=4 668 B9R0.5 CCOC(=O)CCCCBr CS-W008658 [0,2,0,0,0,0|1,0,0]=3 669 B9R0.5 CCOC(=O)CCCCN CS-W022699 [0,2,0,0,0,0|1,0,0]=3 670 B9R0.5 CCOC(=O)COCCCl CS-W018917 [0,2,0,0,0,0|2,0,0]=4 671 B9R0.5 CCOCCC(=O)OCC CS-W013312 [0,2,0,0,0,0|1,0,0]=3 672 B9R0.8 CCCCC(Br)C(=O)OC CS-M2020 [0,2,0,0,0,0|0,0,0]=2 673 B9R0.8 CCCCC(N)C(=O)OC CS-W017144 [0,2,0,0,0,0|0,0,0]=2 674 B9R0.8 CCCC[C@H](N)C(=O)OC CS-0152444 [0,2,0,0,0,0|0,0,0]=2 675 B9R0.8 COC(=O)C(Br)CCCBr CS-0150917 [0,2,0,0,0,0|1,0,0]=3 676 B9R0.8 COC(=O)C(N)CCSC CS-0169307 [0,2,0,0,0,0|1,0,0]=3 677 B9R0.8 COC(=O)[C@@H](N)CCCN CS-W010477 [0,2,0,0,0,0|1,0,0]=3 678 B9R0.8 COC(=O)[C@@H](N)CCSC CS-W015632 [0,2,0,0,0,0|1,0,0]=3 679 B9R0.8 COC(=O)[C@H](N)CCSC CS-W015633 [0,2,0,0,0,0|1,0,0]=3 680 B9R0.20 CCCCCC(C)(C)CC CS-0128828 [0,2,0,0,0,0|1,0,1]=4 681 B9R0.20 CCCCCS(=O)(=O)O[Na] CS-W017507 [0,2,0,0,0,0|2,0,0]=4 682 B9R0.24 CCC(=O)CCC(=O)CC CS-0152646 [0,2,0,0,0,0|0,0,1]=3 683 B9R0.24 CC[C@@H](O)CC[C@H](O)CC CS-0106832 [0,2,0,0,0,0|0,0,2]=4 684 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,2,0,0,0,0|1,0,1]=4 685 B9R0.24 COC(=O)CCC(=O)CN CS-W009212 [0,2,0,0,0,0|1,0,1]=4 686 B9R0.24 COC(=O)CCC(=O)OC CS-0015787 [0,2,0,0,0,0|1,0,1]=4 687 B9R0.46 C=CC(=O)OCCCCO CS-0167368 [0,2,0,0,0,0|1,0,1]=4 688 B9R0.46 CCCCCCC(=O)CC CS-0330265 [0,2,0,0,0,0|0,0,0]=2 689 B9R0.46 CCCCCCC(=O)NN CS-0215224 [0,2,0,0,0,0|1,0,0]=3 690 B9R0.46 CCCCCCC(=O)OC CS-0182587 [0,2,0,0,0,0|0,0,0]=2 691 B9R0.46 CCCCCCC(=O)O[Na] CS-0182616 [0,2,0,0,0,0|1,0,0]=3 692 B9R0.46 CCCCCCC(O)CC CS-0199187 [0,2,0,0,0,0|0,0,2]=4 693 B9R0.46 CCCCCCC(O)CO CS-W018222 [0,2,0,0,0,0|0,0,2]=4 694 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,2,0,0,0,0|0,0,0]=2 695 B9R0.46 COC(=O)CCCCCN CS-W008066 [0,2,0,0,0,0|0,0,0]=2 696 B9R0.46 COC(=O)CCCCCO CS-0187523 [0,2,0,0,0,0|0,0,0]=2 697 B9R0.46 NCCCCNC(=O)CCl CS-0224033 [0,2,0,0,0,0|1,0,0]=3 698 B9R0.47 C=C(C)C(=O)NCCCN CS-W002334 [0,2,0,0,0,0|2,0,0]=4 699 B9R0.47 C=C(C)C(=O)OCCOC CS-W016392 [0,2,0,0,0,0|2,0,0]=4 700 B9R0.47 CCCCCC(N)C(=O)O CS-W016364 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.47 CCCCCC(O)C(=O)O CS-0242197 [0,2,0,0,0,0|1,0,0]=3 702 B9R0.47 CCCCC[C@@H](N)C(=O)O CS-0152364 [0,2,0,0,0,0|1,0,0]=3 703 B9R0.47 CCCCC[C@H](N)C(=O)O CS-W018819 [0,2,0,0,0,0|1,0,0]=3 704 B9R0.47 CCCCOC(=O)[C@H](C)N CS-0523493 [0,2,0,0,0,0|1,0,0]=3 705 B9R0.47 CCCCOC(=O)[C@H](C)O CS-0451298 [0,2,0,0,0,0|1,0,0]=3 706 B9R0.47 CCSCC[C@H](N)C(=O)O CS-W017916 [0,2,0,0,0,0|1,0,0]=3 707 B9R0.47 CC[Se]CCC(N)C(=O)O CS-0640882 [0,2,0,0,0,0|1,0,0]=3 708 B9R0.47 COCCNC(C)C(=O)O CS-0641900 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.47 NCCCCC(N)C(=O)O CS-0071275 [0,2,0,0,0,0|1,0,0]=3 710 B9R0.47 NCCCCC(N)C(=O)O CS-0201768 [0,2,0,0,0,0|1,0,0]=3 711 B9R0.47 NCCCCC(N)C(=O)O CS-7806 [0,2,0,0,0,0|1,0,0]=3 712 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-0016215 [0,2,0,0,0,0|1,0,0]=3 713 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-D1670 [0,2,0,0,0,0|1,0,0]=3 714 B9R0.47 NCCCC[C@H](N)C(=O)O CS-1184636 [0,2,0,0,0,0|1,0,0]=3 715 B9R0.47 NCCCC[C@H](N)C(=O)O CS-7885 [0,2,0,0,0,0|1,0,0]=3 716 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W016086 [0,2,0,0,0,0|1,0,0]=3 717 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W019758 [0,2,0,0,0,0|1,0,0]=3 718 B9R0.47 [C@@H](N)(CCSCC)C(=O)O CS-W017917 [0,2,0,0,0,0|1,0,0]=3 719 B9R0.2 C#CCCCCCC(=O)O CS-0006437 [0,2,0,0,0,0|1,0,0]=3 720 B9R0.2 C(CC)=CCCOC(C)=O CS-W016426 [0,2,0,0,0,0|0,0,1]=3 721 B9R0.2 C=CCCCCCC(=O)O CS-0147251 [0,2,0,0,0,0|1,0,0]=3 722 B9R0.2 CC(=O)OCCCCCBr CS-0006787 [0,2,0,0,0,0|0,0,0]=2 723 B9R0.2 CC(=O)OCCOCCO CS-0147717 [0,2,0,0,0,0|1,0,0]=3 724 B9R0.2 CCCCCC#CC(=O)O CS-0297443 [0,2,0,0,0,0|1,0,0]=3 725 B9R0.2 CCCCCCCC(=O)O CS-0016549 [0,2,0,0,0,0|1,0,0]=3 726 B9R0.2 CCCCCCCC(C)=O CS-0015991 [0,2,0,0,0,0|0,0,0]=2 727 B9R0.2 CCCCC\C=C\C(=O)O CS-0098436 [0,2,0,0,0,0|1,0,0]=3 728 B9R0.2 CCCNCCCN(C)C CS-0116651 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.2 CN(C)CCCCCCO CS-W017749 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.2 COCCOCCC(=O)O CS-0105847 [0,2,0,0,0,0|1,0,0]=3 731 B9R0.2 NCCCCCCC(=O)O CS-W002042 [0,2,0,0,0,0|1,0,0]=3 732 B9R0.2 O=C(O)CCCCCCBr CS-W007714 [0,2,0,0,0,0|1,0,0]=3 733 B9R0.2 O=C(O)CCCCCCO CS-W022546 [0,2,0,0,0,0|1,0,0]=3 734 B9R0.2 [N-]=[N+]=NCCCCC(=O)O CS-0109049 [0,2,0,0,0,0|2,0,0]=4 735 B9R0.38 CCCCCC[N+](C)(C)C CS-0152324 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.38 CSCCCOS(C)(=O)=O CS-M0564 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|1,0,1]=4 738 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [0,2,0,0,0,0|1,0,1]=4 739 B9R0.48 CCOC(=O)CCC(C)=O CS-0204023 [0,2,0,0,0,0|0,0,1]=3 740 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,2,0,0,0,0|1,0,1]=4 741 B9R0.55 CC(=O)CCCCC(=O)O CS-W008210 [0,2,0,0,0,0|0,0,1]=3 742 B9R0.55 CC(=O)CCCOC(C)=O CS-0089169 [0,2,0,0,0,0|0,0,1]=3 743 B9R0.55 CC(C)CCCCC(=O)O CS-0154230 [0,2,0,0,0,0|1,0,0]=3 744 B9R0.55 CN(C)CCCCC(=O)O CS-0151284 [0,2,0,0,0,0|1,0,0]=3 745 B9R0.55 CN(C)CCCCC(=O)O CS-0151285 [0,2,0,0,0,0|1,0,0]=3 746 B9R0.55 CN(C)CCCCN(C)C CS-0095543 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.55 O=C(O)CCCCC(=O)O CS-W018238 [0,2,0,0,0,0|1,0,1]=4 748 B9R0.7 CC(C)CC[C@@H](N)C(=O)O CS-0154245 [0,2,0,0,0,0|1,0,0]=3 749 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0498852 [0,2,0,0,0,0|1,0,0]=3 750 B9R0.7 CS(=O)CCC(N)C(=O)O CS-0059319 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.7 C[S+](C)CCC(N)C(=O)O CS-0083177 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O CS-W010820 [0,2,0,0,0,0|2,0,0]=4 753 B9R0.13 CCCCC(CC)C(=O)O CS-0196714 [0,2,0,0,0,0|1,0,0]=3 754 B9R0.13 CCCCC(CC)C(=O)O CS-W016381 [0,2,0,0,0,0|1,0,0]=3 755 B9R0.13 CCCCC(CC)C(=O)[O-] CS-0106411 [0,2,0,0,0,0|1,0,0]=3 756 B9R0.13 CCCCC(CC)C(=O)[O-] CS-0152385 [0,2,0,0,0,0|1,0,0]=3 757 B9R0.13 CN[C@@H](CCSC)C(=O)O CS-0511030 [0,2,0,0,0,0|2,0,0]=4 758 B9R0.51 CCCCC(C)(O)C(C)C CS-0128923 [0,2,0,0,0,0|1,0,1]=4 759 B9R0.43 COC(CNC(C)=O)OC CS-0314652 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.56 CC(=O)OCC[N+](C)(C)C CS-0020798 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.56 CC(=O)OCC[N+](C)(C)C CS-0143594 [0,2,0,0,0,0|2,0,0]=4 762 B9R0.56 CC(=O)SCC[N+](C)(C)C CS-0199449 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.56 CC(=O)SCC[N+](C)(C)C CS-D1378 [0,2,0,0,0,0|2,0,0]=4 764 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [1,0,0,1,0,0|0,0,2]=4 765 B7R1.2 CC1CCC(=O)O1 CS-W016654 [1,0,0,1,0,0|1,0,0]=3 766 B7R1.2 CC1CNC(=O)C1 CS-0040667 [1,0,0,1,0,0|1,0,0]=3 767 B7R1.2 CC1COC(=O)N1 CS-0181060 [1,0,0,1,0,0|2,0,0]=4 768 B7R1.2 CN1CCC(=O)C1 CS-0172438 [1,0,0,1,0,0|1,0,0]=3 769 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [1,0,0,1,0,0|1,0,0]=3 770 B7R1.2 C[C@@H]1CC[C@@H](C)N1 CS-0111299 [1,0,0,1,0,0|1,0,1]=4 771 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [1,0,0,1,0,0|2,0,0]=4 772 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [1,0,0,1,0,0|2,0,0]=4 773 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [1,0,0,1,0,0|2,0,0]=4 774 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [1,0,0,1,0,0|1,0,0]=3 775 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [1,0,0,1,0,0|1,0,0]=3 776 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [1,0,0,1,0,0|1,0,0]=3 777 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [1,0,0,1,0,0|2,0,0]=4 778 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|2,0,0]=4 779 B7R1.2 NC1CNC(=O)C1 CS-W023257 [1,0,0,1,0,0|2,0,0]=4 780 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [1,0,0,1,0,0|2,0,0]=4 781 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|2,0,0]=4 782 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [1,0,0,1,0,0|2,0,0]=4 783 B7R1.2 O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4 784 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4 785 B7R1.2 O=C1CCC(O)C1 CS-0051334 [1,0,0,1,0,0|1,0,0]=3 786 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4 787 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [1,0,0,1,0,0|2,0,0]=4 788 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [1,0,0,1,0,0|2,0,0]=4 789 B7R1.3 BrC1=CCCCC1 CS-0155410 [1,0,0,1,0,0|1,0,1]=4 790 B7R1.3 BrC1CCCCC1 CS-W017925 [1,0,0,1,0,0|1,0,1]=4 791 B7R1.3 C=C1CCNCC1 CS-D0508 [1,0,0,1,0,0|2,0,0]=4 792 B7R1.3 CC1=CCCNC1 CS-0050445 [1,0,0,1,0,0|2,0,0]=4 793 B7R1.3 CC1=CCNCC1 CS-W004399 [1,0,0,1,0,0|2,0,0]=4 794 B7R1.3 CC1=NCCCO1 CS-1006941 [1,0,0,1,0,0|1,0,1]=4 795 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [1,0,0,1,0,0|1,0,1]=4 796 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [1,0,0,1,0,0|1,0,1]=4 797 B7R1.3 ClC1CCCCC1 CS-0198086 [1,0,0,1,0,0|1,0,1]=4 798 B7R1.3 IC1CCCCC1 CS-0148628 [1,0,0,1,0,0|1,0,1]=4 799 B7R1.3 NC1CCCCC1 CS-W013335 [1,0,0,1,0,0|1,0,1]=4 800 B7R1.3 NN1CCCCC1 CS-W007639 [1,0,0,1,0,0|2,0,0]=4 801 B7R1.3 O=C1CCCCN1 CS-W022933 [1,0,0,1,0,0|1,0,0]=3 802 B7R1.3 O=C1CCCCO1 CS-W013713 [1,0,0,1,0,0|1,0,0]=3 803 B7R1.3 O=C1CCCNC1 CS-0048756 [1,0,0,1,0,0|1,0,0]=3 804 B7R1.3 O=C1CCCNC1 CS-0185548 [1,0,0,1,0,0|1,0,0]=3 805 B7R1.3 O=C1CCCOC1 CS-D1576 [1,0,0,1,0,0|1,0,0]=3 806 B7R1.3 O=C1CCCSC1 CS-D0446 [1,0,0,1,0,0|1,0,0]=3 807 B7R1.3 O=C1CCOCC1 CS-D0601 [1,0,0,1,0,0|1,0,0]=3 808 B7R1.3 O=C1CCSCC1 CS-W002007 [1,0,0,1,0,0|1,0,0]=3 809 B7R1.3 O=C1CNCCN1 CS-B0039 [1,0,0,1,0,0|2,0,0]=4 810 B7R1.3 O=C1CNCCO1 CS-0098127 [1,0,0,1,0,0|2,0,0]=4 811 B7R1.3 O=C1COCCN1 CS-D1427 [1,0,0,1,0,0|2,0,0]=4 812 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|2,0,0]=4 813 B7R1.3 O=C1CSCCN1 CS-W019146 [1,0,0,1,0,0|2,0,0]=4 814 B7R1.3 O=C1NCCCO1 CS-0088044 [1,0,0,1,0,0|2,0,0]=4 815 B7R1.3 O=C1OCCCO1 CS-0155207 [1,0,0,1,0,0|2,0,0]=4 816 B7R1.3 O=S1CCNCC1 CS-0043941 [1,0,0,1,0,0|2,0,0]=4 817 B7R1.3 OC1CCCCC1 CS-0017198 [1,0,0,1,0,0|0,0,2]=4 818 B7R1.3 ON1CCCCC1 CS-W016646 [1,0,0,1,0,0|1,0,1]=4 819 B7R1.3 S=C1CCCCC1 CS-0661522 [1,0,0,1,0,0|0,1,0]=3 820 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [1,0,0,1,0,0|1,0,1]=4 821 B7R1.10 C=C1CC(CO)C1 CS-0185403 [1,0,0,1,0,0|2,0,0]=4 822 B7R1.10 COC1CC(=O)C1 CS-0051289 [1,0,0,1,0,0|1,0,0]=3 823 B7R1.10 N#CC1CC(=O)C1 CS-W004195 [1,0,0,1,0,0|1,0,1]=4 824 B7R1.10 NCC1CC(=O)C1 CS-0045539 [1,0,0,1,0,0|1,0,0]=3 825 B7R1.10 O=C1CC(CBr)C1 CS-0043859 [1,0,0,1,0,0|1,0,0]=3 826 B7R1.10 O=C1CC(CCl)C1 CS-0054362 [1,0,0,1,0,0|1,0,0]=3 827 B7R1.10 O=C1CC(CO)C1 CS-0045541 [1,0,0,1,0,0|1,0,0]=3 828 B7R1.12 CC1CC1C(=O)O CS-0072900 [1,0,0,1,0,0|1,0,0]=3 829 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [1,0,0,1,0,0|1,0,0]=3 830 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [1,0,0,1,0,0|1,0,0]=3 831 B7R1.12 O=C(O)C1CC1F CS-W006378 [1,0,0,1,0,0|2,0,0]=4 832 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [1,0,0,1,0,0|2,0,0]=4 833 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [1,0,0,1,0,0|2,0,0]=4 834 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [1,0,0,1,0,0|2,0,0]=4 835 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [1,0,0,1,0,0|2,0,0]=4 836 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [1,0,0,1,0,0|2,0,0]=4 837 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [1,0,0,1,0,0|2,0,0]=4 838 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [1,0,0,1,0,0|2,0,0]=4 839 B7R1.14 CC1(N)CCCC1 CS-0119714 [1,0,0,1,0,0|1,0,1]=4 840 B7R1.18 CC(N)C1CCC1 CS-0052584 [1,0,0,1,0,0|1,0,1]=4 841 B7R1.18 CC(O)C1CCC1 CS-W006217 [1,0,0,1,0,0|0,0,2]=4 842 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,1,0,0|1,0,0]=3 843 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,1,0,0|1,0,0]=3 844 B7R1.18 O=C(O)C1CCN1 CS-M0178 [1,0,0,1,0,0|2,0,0]=4 845 B7R1.18 O=C(O)C1CCO1 CS-W006382 [1,0,0,1,0,0|2,0,0]=4 846 B7R1.18 O=C(O)C1CNC1 CS-0067915 [1,0,0,1,0,0|2,0,0]=4 847 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,1,0,0|2,0,0]=4 848 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [1,0,0,1,0,0|2,0,0]=4 849 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [1,0,0,1,0,0|2,0,0]=4 850 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [1,0,0,1,0,0|2,0,0]=4 851 B7R1.20 NC(=O)NC1CC1 CS-0073680 [1,0,0,1,0,0|2,0,0]=4 852 B7R1.20 O=C(O)CC1CC1 CS-W011326 [1,0,0,1,0,0|1,0,0]=3 853 B7R1.1 BrCC1CCCC1 CS-W004985 [1,0,0,1,0,0|1,0,1]=4 854 B7R1.1 BrCC1CCOC1 CS-W004268 [1,0,0,1,0,0|2,0,0]=4 855 B7R1.1 CCC1CCCN1 CS-0454761 [1,0,0,1,0,0|1,0,1]=4 856 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [1,0,0,1,0,0|1,0,1]=4 857 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [1,0,0,1,0,0|2,0,0]=4 858 B7R1.1 COC1CCNC1 CS-0039937 [1,0,0,1,0,0|2,0,0]=4 859 B7R1.1 COC1CCNC1 CS-W004880 [1,0,0,1,0,0|2,0,0]=4 860 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [1,0,0,1,0,0|2,0,0]=4 861 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [1,0,0,1,0,0|2,0,0]=4 862 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [1,0,0,1,0,0|2,0,0]=4 863 B7R1.1 ICC1CCCC1 CS-0309298 [1,0,0,1,0,0|1,0,1]=4 864 B7R1.1 ICC1CCOC1 CS-W004269 [1,0,0,1,0,0|2,0,0]=4 865 B7R1.1 N#CC1CCCC1 CS-0072286 [1,0,0,1,0,0|1,0,1]=4 866 B7R1.1 NCC1CCCC1 CS-D0472 [1,0,0,1,0,0|1,0,1]=4 867 B7R1.1 NCC1CCOC1 CS-W004787 [1,0,0,1,0,0|2,0,0]=4 868 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [1,0,0,1,0,0|2,0,0]=4 869 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [1,0,0,1,0,0|2,0,0]=4 870 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [1,0,0,1,0,0|2,0,0]=4 871 B7R1.1 NNC1CCCC1 CS-D0525 [1,0,0,1,0,0|2,0,0]=4 872 B7R1.1 O=CC1CCOC1 CS-W004272 [1,0,0,1,0,0|1,0,0]=3 873 B7R1.1 O=CN1CCCC1 CS-0155290 [1,0,0,1,0,0|1,0,0]=3 874 B7R1.1 O=NN1CCCC1 CS-0199565 [1,0,0,1,0,0|2,0,0]=4 875 B7R1.1 OCC1CC=CC1 CS-W003141 [1,0,0,1,0,0|1,0,1]=4 876 B7R1.1 OCC1CCCC1 CS-W001923 [1,0,0,1,0,0|0,0,2]=4 877 B7R1.1 OCC1CCNC1 CS-W019882 [1,0,0,1,0,0|2,0,0]=4 878 B7R1.1 OCC1CCOC1 CS-D1159 [1,0,0,1,0,0|2,0,0]=4 879 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [1,0,0,1,0,0|2,0,0]=4 880 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [1,0,0,1,0,0|2,0,0]=4 881 B7R1.4 CC1=CCCC1=O CS-0180943 [1,0,0,1,0,0|0,0,2]=4 882 B7R1.4 CC1CCNC1=O CS-W004958 [1,0,0,1,0,0|1,0,0]=3 883 B7R1.4 CC1CCOC1=O CS-0152675 [1,0,0,1,0,0|1,0,0]=3 884 B7R1.4 CC1OCCC1=O CS-W011324 [1,0,0,1,0,0|1,0,0]=3 885 B7R1.4 CC1SCCC1=O CS-W011228 [1,0,0,1,0,0|1,0,0]=3 886 B7R1.4 CN1CCCC1=O CS-0017258 [1,0,0,1,0,0|1,0,0]=3 887 B7R1.4 CN1CCCC1=S CS-W013619 [1,0,0,1,0,0|1,1,0]=4 888 B7R1.4 CN1CCNC1=O CS-W005507 [1,0,0,1,0,0|2,0,0]=4 889 B7R1.4 CN1CCOC1=O CS-W016647 [1,0,0,1,0,0|2,0,0]=4 890 B7R1.4 NC1CCNC1=O CS-0113495 [1,0,0,1,0,0|2,0,0]=4 891 B7R1.4 NC1CCOC1=O CS-0051531 [1,0,0,1,0,0|2,0,0]=4 892 B7R1.4 NC1CCSC1=O CS-0021300 [1,0,0,1,0,0|2,0,0]=4 893 B7R1.4 NN1CCCC1=O CS-D0019 [1,0,0,1,0,0|2,0,0]=4 894 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [1,0,0,1,0,0|2,0,0]=4 895 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [1,0,0,1,0,0|2,0,0]=4 896 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [1,0,0,1,0,0|2,0,0]=4 897 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [1,0,0,1,0,0|2,0,0]=4 898 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|2,0,0]=4 899 B7R1.4 N[C@H]1CCSC1=O CS-6394 [1,0,0,1,0,0|2,0,0]=4 900 B7R1.4 O=C1NCCC1O CS-W005201 [1,0,0,1,0,0|2,0,0]=4 901 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [1,0,0,1,0,0|2,0,0]=4 902 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [1,0,0,1,0,0|2,0,0]=4 903 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [1,0,0,1,0,0|2,0,0]=4 904 B7R1.4 O=C1OCCC1Br CS-W001104 [1,0,0,1,0,0|2,0,0]=4 905 B7R1.4 O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|2,0,0]=4 906 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [1,0,0,1,0,0|2,0,0]=4 907 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [1,0,0,1,0,0|2,0,0]=4 908 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [1,0,0,1,0,0|2,0,0]=4 909 B7R1.6 COCC1CNC1 CS-W023140 [1,0,0,1,0,0|2,0,0]=4 910 B7R1.6 NOCC1CCC1 CS-0145228 [1,0,0,1,0,0|2,0,0]=4 911 B7R1.6 OCCC1COC1 CS-0052216 [1,0,0,1,0,0|2,0,0]=4 912 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [1,0,0,1,0,0|2,0,0]=4 913 B7R1.24 C1CNCCNC1 CS-W007768 [1,0,0,1,0,0|2,0,0]=4 914 B7R1.24 C1CNCCOC1 CS-0171615 [1,0,0,1,0,0|2,0,0]=4 915 B7R1.24 C1CNCCOC1 CS-B1101 [1,0,0,1,0,0|2,0,0]=4 916 B9R1.7 CCCC1CNC(=O)C1 CS-0061478 [0,1,0,1,0,0|0,0,0]=2 917 B9R1.7 CCCC1COC(=O)O1 CS-0134586 [0,1,0,1,0,0|1,0,0]=3 918 B9R1.7 CCC[C@@H]1COC(=O)C1 CS-0188536 [0,1,0,1,0,0|0,0,0]=2 919 B9R1.7 CCOC1=CC(=O)CC1 CS-0039741 [0,1,0,1,0,0|0,0,2]=4 920 B9R1.13 CC(=O)CC1CCCC1 CS-0134561 [0,1,0,1,0,0|0,0,0]=2 921 B9R1.13 CC(=O)OC1CCCO1 CS-0160246 [0,1,0,1,0,0|1,0,0]=3 922 B9R1.13 CN(C)C[C@@H]1CCCN1 CS-0049613 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.13 NC(=O)NC1CCCC1 CS-0062148 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.13 O=C(O)CC1C=CCC1 CS-0147114 [0,1,0,1,0,0|1,0,1]=4 925 B9R1.13 O=C(O)CC1CCCC1 CS-W007405 [0,1,0,1,0,0|1,0,0]=3 926 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [0,1,0,1,0,0|1,0,0]=3 927 B9R1.13 O=C(O)CC1CCCO1 CS-0076866 [0,1,0,1,0,0|1,0,0]=3 928 B9R1.13 O=C(O)CC1CCNC1 CS-0052205 [0,1,0,1,0,0|1,0,0]=3 929 B9R1.13 O=C(O)CC1CCOC1 CS-W005250 [0,1,0,1,0,0|1,0,0]=3 930 B9R1.13 O=C(O)CN1CCCC1 CS-W004008 [0,1,0,1,0,0|1,0,0]=3 931 B9R1.13 O=C(O)CN1CCCC1 CS-W020371 [0,1,0,1,0,0|1,0,0]=3 932 B9R1.13 O=C(O)C[C@@H]1CCCN1 CS-0035426 [0,1,0,1,0,0|1,0,0]=3 933 B9R1.13 O=C(O)C[C@@H]1CCNC1 CS-0052117 [0,1,0,1,0,0|1,0,0]=3 934 B9R1.13 O=C(O)C[C@@H]1CCOC1 CS-0155206 [0,1,0,1,0,0|1,0,0]=3 935 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [0,1,0,1,0,0|1,0,0]=3 936 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0035825 [0,1,0,1,0,0|1,0,0]=3 937 B9R1.13 [C@@H]1(CC(=O)O)CCCN1 CS-W010817 [0,1,0,1,0,0|1,0,0]=3 938 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 CS-0053170 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.34 CC1CC(=O)CC(=O)C1 CS-0130624 [0,1,0,1,0,0|0,0,1]=3 940 B9R1.34 CC1CC(=O)CC(C)N1 CS-0140246 [0,1,0,1,0,0|1,0,0]=3 941 B9R1.34 CC1CC(=O)OC(=O)C1 CS-0152693 [0,1,0,1,0,0|1,0,1]=4 942 B9R1.34 CC1CC(C)CC(O)C1 CS-0188357 [0,1,0,1,0,0|0,0,2]=4 943 B9R1.41 CC(=O)C1CCCC1=O CS-W011158 [0,1,0,1,0,0|0,0,1]=3 944 B9R1.41 CC(=O)N1CCCC1=O CS-0186313 [0,1,0,1,0,0|1,0,1]=4 945 B9R1.41 CC1CCCC1C(=O)O CS-0047145 [0,1,0,1,0,0|1,0,0]=3 946 B9R1.41 CC1CNCC1C(=O)O CS-0460956 [0,1,0,1,0,0|1,0,0]=3 947 B9R1.41 CN1CCCC1C(=O)O CS-B1576 [0,1,0,1,0,0|1,0,0]=3 948 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001861 [0,1,0,1,0,0|1,0,0]=3 949 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,1,0,1,0,0|1,0,0]=3 950 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,1,0,1,0,0|1,0,0]=3 951 B9R1.41 CN1CCC[C@H]1C(N)=O CS-0162641 [0,1,0,1,0,0|1,0,0]=3 952 B9R1.41 CN1CSCC1C(=O)O CS-0597627 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.41 C[C@H](O)[C@@H]1CCCN1C CS-0159084 [0,1,0,1,0,0|0,0,2]=4 954 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CS-0120592 [0,1,0,1,0,0|1,0,0]=3 955 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O CS-0130164 [0,1,0,1,0,0|1,0,0]=3 956 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-0130633 [0,1,0,1,0,0|1,0,0]=3 957 B9R1.41 O=C(O)C1NCCC1O CS-0465857 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CS-0058698 [0,1,0,1,0,0|2,0,0]=4 959 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-0184644 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.41 [C@H]1(O)CCN[C@@H]1C(=O)O CS-W006575 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.48 O=C1CCCCC(=O)C1 CS-W002860 [0,1,0,1,0,0|0,0,1]=3 962 B9R1.48 O=C1CCCCC(=O)O1 CS-W019642 [0,1,0,1,0,0|1,0,1]=4 963 B9R1.53 O=C(O)CC1CC(=O)C1 CS-0040780 [0,1,0,1,0,0|1,0,1]=4 964 B9R1.66 CC1(C)CC(=O)CCN1 CS-0153799 [0,1,0,1,0,0|1,0,0]=3 965 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,1,0,1,0,0|1,0,0]=3 966 B9R1.66 CC1(C)CC=CC(=O)C1 CS-0648459 [0,1,0,1,0,0|0,0,2]=4 967 B9R1.66 CC1(C)CCCC(=O)C1 CS-0010863 [0,1,0,1,0,0|0,0,0]=2 968 B9R1.66 CC1(C)CCCC(=O)N1 CS-0062136 [0,1,0,1,0,0|1,0,0]=3 969 B9R1.66 CC1(C)COCC(=O)N1 CS-0146687 [0,1,0,1,0,0|2,0,0]=4 970 B9R1.137 CC(=O)CC(=O)C1CC1 CS-W006361 [0,1,0,1,0,0|0,0,1]=3 971 B9R1.137 NC(CC(=O)O)C1CC1 CS-0054269 [0,1,0,1,0,0|1,0,0]=3 972 B9R1.171 O=C(O)CC1(O)CCC1 CS-0037202 [0,1,0,1,0,0|1,0,0]=3 973 B9R1.1 C#CC1CCC(=O)CC1 CS-0132033 [0,1,0,1,0,0|0,0,2]=4 974 B9R1.1 C=C1CCC(CO)CC1 CS-0034131 [0,1,0,1,0,0|2,0,0]=4 975 B9R1.1 CCC1CCC(=O)CC1 CS-0226152 [0,1,0,1,0,0|0,0,0]=2 976 B9R1.1 CCC1CCC(N)CC1 CS-0216065 [0,1,0,1,0,0|1,0,1]=4 977 B9R1.1 CCC1CCC(O)CC1 CS-0152471 [0,1,0,1,0,0|0,0,2]=4 978 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,1,0,1,0,0|1,0,0]=3 979 B9R1.1 COC1CCC(=O)CC1 CS-W004809 [0,1,0,1,0,0|1,0,0]=3 980 B9R1.1 N#CC1CCC(=O)CC1 CS-D0281 [0,1,0,1,0,0|1,0,1]=4 981 B9R1.1 NCC1CNC(=O)CO1 CS-0311050 [0,1,0,1,0,0|2,0,0]=4 982 B9R1.1 O=C1CCC(CO)CC1 CS-W005330 [0,1,0,1,0,0|1,0,0]=3 983 B9R1.1 O=C1COC(CO)CN1 CS-W022434 [0,1,0,1,0,0|2,0,0]=4 984 B9R1.1 O=C1CO[C@@H](CO)CN1 CS-0183833 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.1 O=C1CO[C@H](CO)CN1 CS-0036959 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.2 CCN1CCCC(O)C1 CS-0075008 [0,1,0,1,0,0|0,0,2]=4 987 B9R1.2 CCN1CCC[C@@H](N)C1 CS-0311909 [0,1,0,1,0,0|1,0,1]=4 988 B9R1.2 CCN1CCNC(=O)C1 CS-0145869 [0,1,0,1,0,0|1,0,0]=3 989 B9R1.2 CN1CCCC(CN)C1 CS-B1372 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.2 CN1CCCC(CO)C1 CS-W021353 [0,1,0,1,0,0|2,0,0]=4 991 B9R1.2 CN1CCC[C@@H](CO)C1 CS-B0137 [0,1,0,1,0,0|2,0,0]=4 992 B9R1.2 CN1CCC[C@H](CO)C1 CS-B0136 [0,1,0,1,0,0|2,0,0]=4 993 B9R1.2 COC1=CC(=O)CCC1 CS-0100011 [0,1,0,1,0,0|0,0,2]=4 994 B9R1.2 CSC1CCCC(=O)C1 CS-0237612 [0,1,0,1,0,0|0,0,0]=2 995 B9R1.2 N#CC1CCCC(=O)C1 CS-0119852 [0,1,0,1,0,0|0,0,1]=3 996 B9R1.2 NCC1CCNC(=O)C1 CS-0037079 [0,1,0,1,0,0|1,0,0]=3 997 B9R1.2 O=C1CC(CO)CCN1 CS-0051145 [0,1,0,1,0,0|1,0,0]=3 998 B9R1.2 O=C1CCCC(CO)N1 CS-0099968 [0,1,0,1,0,0|1,0,0]=3 999 B9R1.2 O=C1COCC(CO)N1 CS-W022261 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.2 O=C1COC[C@H](CO)N1 CS-0146689 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.3 CC1C(=O)CCCC1=O CS-W019564 [0,1,0,1,0,0|1,0,1]=4 1002 B9R1.3 CC1CCCC(C)C1=O CS-0215006 [0,1,0,1,0,0|0,0,1]=3 1003 B9R1.3 CN1C(=O)CCCC1=O CS-0151200 [0,1,0,1,0,0|1,0,1]=4 1004 B9R1.3 CN1CCCN(C)C1=O CS-W009128 [0,1,0,1,0,0|2,0,0]=4 1005 B9R1.3 C[C@H]1NCCN(C)C1=O CS-0341873 [0,1,0,1,0,0|2,0,0]=4 1006 B9R1.3 O=C1CCCC(=O)C1Br CS-0071714 [0,1,0,1,0,0|1,0,1]=4 1007 B9R1.5 NC1CCCCNC1=O CS-W002296 [0,1,0,1,0,0|1,0,0]=3 1008 B9R1.5 N[C@@H]1CCCCNC1=O CS-0112895 [0,1,0,1,0,0|1,0,0]=3 1009 B9R1.5 N[C@H]1CCCCNC1=O CS-W002297 [0,1,0,1,0,0|1,0,0]=3 1010 B9R1.5 N[C@H]1CCCCNC1=O CS-W016082 [0,1,0,1,0,0|1,0,0]=3 1011 B9R1.11 CNC(=O)C1CCNC1 CS-0188103 [0,1,0,1,0,0|1,0,0]=3 1012 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [0,1,0,1,0,0|1,0,0]=3 1013 B9R1.11 COC(=O)C1=CCCC1 CS-D0999 [0,1,0,1,0,0|0,0,2]=4 1014 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [0,1,0,1,0,0|0,0,2]=4 1015 B9R1.11 COC(=O)C1CCCC1 CS-W005310 [0,1,0,1,0,0|0,0,0]=2 1016 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [0,1,0,1,0,0|1,0,0]=3 1017 B9R1.11 COC(=O)C1CCCO1 CS-0096501 [0,1,0,1,0,0|1,0,0]=3 1018 B9R1.11 COC(=O)C1CCNC1 CS-W001842 [0,1,0,1,0,0|1,0,0]=3 1019 B9R1.11 COC(=O)C1CCOC1 CS-W004271 [0,1,0,1,0,0|1,0,0]=3 1020 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [0,1,0,1,0,0|1,0,0]=3 1021 B9R1.11 COC(=O)[C@@H]1CCNC1 CS-B0685 [0,1,0,1,0,0|1,0,0]=3 1022 B9R1.11 NCC(=O)N1CCCC1 CS-0055114 [0,1,0,1,0,0|1,0,0]=3 1023 B9R1.11 O=C(CBr)N1CCCC1 CS-0461588 [0,1,0,1,0,0|1,0,0]=3 1024 B9R1.11 O=C(CCl)N1CCCC1 CS-0037280 [0,1,0,1,0,0|1,0,0]=3 1025 B9R1.11 O=C(O[Na])[C@@H]1CCCN1 CS-0091626 [0,1,0,1,0,0|2,0,0]=4 1026 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [0,1,0,1,0,0|1,0,0]=3 1027 B9R1.11 [C@H]1(C(=O)OC)CCNC1 CS-W005089 [0,1,0,1,0,0|1,0,0]=3 1028 B9R1.49 CN1CCCC(=O)CC1 CS-W003427 [0,1,0,1,0,0|1,0,0]=3 1029 B9R1.49 O=C1CCCC(O)CN1 CS-0187220 [0,1,0,1,0,0|1,0,0]=3 1030 B9R1.50 NC1CCCCCCC1 CS-0155298 [0,1,0,1,0,0|1,0,1]=4 1031 B9R1.50 O=C1CCCCCCC1 CS-W007564 [0,1,0,1,0,0|0,0,0]=2 1032 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,1,0,1,0,0|0,0,0]=2 1033 B9R1.79 COC(=O)CC1COC1 CS-0049199 [0,1,0,1,0,0|1,0,0]=3 1034 B9R1.80 COC(=O)\C=C\C1CC1 CS-0380678 [0,1,0,1,0,0|0,0,2]=4 1035 B9R1.88 COC(=O)C1CC1C#N CS-0514359 [0,1,0,1,0,0|1,0,1]=4 1036 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO CS-0078750 [0,1,0,1,0,0|1,0,0]=3 1037 B9R1.89 BrCC1CCCCCC1 CS-0144558 [0,1,0,1,0,0|1,0,1]=4 1038 B9R1.89 N#CC1CCCCCC1 CS-0079887 [0,1,0,1,0,0|1,0,1]=4 1039 B9R1.89 NCC1CCCCCC1 CS-0155299 [0,1,0,1,0,0|1,0,1]=4 1040 B9R1.89 O=CN1CCCNCC1 CS-0132310 [0,1,0,1,0,0|2,0,0]=4 1041 B9R1.89 OCC1CCCCCC1 CS-0144557 [0,1,0,1,0,0|0,0,2]=4 1042 B9R1.89 ONC1=NCCCCC1 CS-0449006 [0,1,0,1,0,0|1,0,1]=4 1043 B9R1.118 CC1(CO)CCCCC1 CS-0433278 [0,1,0,1,0,0|0,0,2]=4 1044 B9R1.118 CCC1(O)CCCCC1 CS-0032047 [0,1,0,1,0,0|0,0,2]=4 1045 B9R1.118 NC1(CO)CCCCC1 CS-0146523 [0,1,0,1,0,0|1,0,1]=4 1046 B9R1.118 NCC1(N)CCCCC1 CS-0064736 [0,1,0,1,0,0|1,0,1]=4 1047 B9R1.132 CN1C(=O)CCC1CO CS-W001672 [0,1,0,1,0,0|1,0,0]=3 1048 B9R1.132 CN1CCC(CO)C1=O CS-W018824 [0,1,0,1,0,0|2,0,0]=4 1049 B9R1.6 CC(=O)C1=CCCCC1 CS-0155078 [0,1,0,1,0,0|0,0,1]=3 1050 B9R1.6 CC(=O)C1CCCCC1 CS-W007597 [0,1,0,1,0,0|0,0,0]=2 1051 B9R1.6 CC(=O)C1CCCNC1 CS-0212276 [0,1,0,1,0,0|0,0,0]=2 1052 B9R1.6 CC(=O)C1CCNCC1 CS-W021259 [0,1,0,1,0,0|0,0,0]=2 1053 B9R1.6 CC(=O)C1CCOCC1 CS-D1226 [0,1,0,1,0,0|0,0,0]=2 1054 B9R1.6 CC(=O)C1CNCCO1 CS-0197640 [0,1,0,1,0,0|1,0,0]=3 1055 B9R1.6 CC(=O)N1CCCCC1 CS-0155037 [0,1,0,1,0,0|0,0,0]=2 1056 B9R1.6 CC(=O)N1CCNCC1 CS-W007382 [0,1,0,1,0,0|1,0,0]=3 1057 B9R1.6 CC(=O)N1CCOCC1 CS-W011119 [0,1,0,1,0,0|1,0,0]=3 1058 B9R1.6 CC(C)C1CCNCC1 CS-0096311 [0,1,0,1,0,0|1,0,1]=4 1059 B9R1.6 CC(N)C1CCCCC1 CS-0136579 [0,1,0,1,0,0|1,0,1]=4 1060 B9R1.6 CC(N)C1CCOCC1 CS-0196712 [0,1,0,1,0,0|1,0,1]=4 1061 B9R1.6 CC(O)C1CCCCC1 CS-0109616 [0,1,0,1,0,0|0,0,2]=4 1062 B9R1.6 CC(O)C1CCOCC1 CS-W004281 [0,1,0,1,0,0|0,0,2]=4 1063 B9R1.6 CN(C)C1CCCNC1 CS-0096399 [0,1,0,1,0,0|2,0,0]=4 1064 B9R1.6 CN(C)C1CCNCC1 CS-W002131 [0,1,0,1,0,0|2,0,0]=4 1065 B9R1.6 CN(C)C1CCNCC1 CS-W002164 [0,1,0,1,0,0|2,0,0]=4 1066 B9R1.6 CN(C)[C@H]1CCCNC1 CS-0196482 [0,1,0,1,0,0|2,0,0]=4 1067 B9R1.6 CN(C)[C@H]1CCCNC1 CS-0506149 [0,1,0,1,0,0|2,0,0]=4 1068 B9R1.6 C[C@@H](N)C1CCCCC1 CS-0343288 [0,1,0,1,0,0|1,0,1]=4 1069 B9R1.6 C[C@@H](O)C1CCCCC1 CS-0144970 [0,1,0,1,0,0|0,0,2]=4 1070 B9R1.6 C[C@H](N)C1CCCCC1 CS-0136578 [0,1,0,1,0,0|1,0,1]=4 1071 B9R1.6 N=C(N)C1CCCCC1 CS-0216687 [0,1,0,1,0,0|2,0,0]=4 1072 B9R1.6 NC(=O)C1CCCCC1 CS-W013481 [0,1,0,1,0,0|1,0,0]=3 1073 B9R1.6 NC(=O)C1CCCCN1 CS-0306563 [0,1,0,1,0,0|1,0,0]=3 1074 B9R1.6 NC(=O)C1CCCCN1 CS-W022934 [0,1,0,1,0,0|1,0,0]=3 1075 B9R1.6 NC(=O)C1CCCNC1 CS-W001980 [0,1,0,1,0,0|1,0,0]=3 1076 B9R1.6 NC(=O)C1CCNCC1 CS-W013464 [0,1,0,1,0,0|1,0,0]=3 1077 B9R1.6 NC(=O)C1CCOCC1 CS-D1171 [0,1,0,1,0,0|1,0,0]=3 1078 B9R1.6 NC(=O)C1CNCCO1 CS-0074995 [0,1,0,1,0,0|2,0,0]=4 1079 B9R1.6 NC(=O)C1CNCCO1 CS-0441731 [0,1,0,1,0,0|2,0,0]=4 1080 B9R1.6 NC(=O)N1CCNCC1 CS-0149933 [0,1,0,1,0,0|2,0,0]=4 1081 B9R1.6 NC(=O)N1CCOCC1 CS-0144907 [0,1,0,1,0,0|2,0,0]=4 1082 B9R1.6 NC(=O)[C@@H]1CCCNC1 CS-0053782 [0,1,0,1,0,0|1,0,0]=3 1083 B9R1.6 NC(=S)C1CCNCC1 CS-0149953 [0,1,0,1,0,0|1,1,0]=4 1084 B9R1.6 NC(=S)C1CCOCC1 CS-0460943 [0,1,0,1,0,0|1,1,0]=4 1085 B9R1.6 O=C(O)C1=CCCCC1 CS-W007947 [0,1,0,1,0,0|1,0,1]=4 1086 B9R1.6 O=C(O)C1CC=CCC1 CS-W011160 [0,1,0,1,0,0|1,0,1]=4 1087 B9R1.6 O=C(O)C1CCCCC1 CS-D1501 [0,1,0,1,0,0|1,0,0]=3 1088 B9R1.6 O=C(O)C1CCCCN1 CS-B1313 [0,1,0,1,0,0|1,0,0]=3 1089 B9R1.6 O=C(O)C1CCCCO1 CS-W001872 [0,1,0,1,0,0|1,0,0]=3 1090 B9R1.6 O=C(O)C1CCCNC1 CS-W020556 [0,1,0,1,0,0|1,0,0]=3 1091 B9R1.6 O=C(O)C1CCCOC1 CS-W001890 [0,1,0,1,0,0|1,0,0]=3 1092 B9R1.6 O=C(O)C1CCNCC1 CS-D1472 [0,1,0,1,0,0|1,0,0]=3 1093 B9R1.6 O=C(O)C1CCOCC1 CS-W002155 [0,1,0,1,0,0|1,0,0]=3 1094 B9R1.6 O=C(O)C1CCSCC1 CS-0045869 [0,1,0,1,0,0|1,0,0]=3 1095 B9R1.6 O=C(O)C1CCSCN1 CS-0236271 [0,1,0,1,0,0|2,0,0]=4 1096 B9R1.6 O=C(O)C1CNCCN1 CS-W002409 [0,1,0,1,0,0|2,0,0]=4 1097 B9R1.6 O=C(O)C1CNCCN1 CS-W015473 [0,1,0,1,0,0|2,0,0]=4 1098 B9R1.6 O=C(O)C1CNCCO1 CS-0067952 [0,1,0,1,0,0|2,0,0]=4 1099 B9R1.6 O=C(O)C1CNCCO1 CS-0103628 [0,1,0,1,0,0|2,0,0]=4 1100 B9R1.6 O=C(O)C1COCCN1 CS-0043809 [0,1,0,1,0,0|2,0,0]=4 1101 B9R1.6 O=C(O)C1COCCN1 CS-W001894 [0,1,0,1,0,0|2,0,0]=4 1102 B9R1.6 O=C(O)C1CSCCN1 CS-0005336 [0,1,0,1,0,0|2,0,0]=4 1103 B9R1.6 O=C(O)C1CSCCN1 CS-0137001 [0,1,0,1,0,0|2,0,0]=4 1104 B9R1.6 O=C(O)C1SCCCS1 CS-0646095 [0,1,0,1,0,0|2,0,0]=4 1105 B9R1.6 O=C(O)N1CCCCC1 CS-0084306 [0,1,0,1,0,0|1,0,0]=3 1106 B9R1.6 O=C(O)[C@@H]1CC=CCC1 CS-W018428 [0,1,0,1,0,0|1,0,1]=4 1107 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,1,0,1,0,0|1,0,0]=3 1108 B9R1.6 O=C(O)[C@@H]1CNCCN1 CS-B0619 [0,1,0,1,0,0|2,0,0]=4 1109 B9R1.6 O=C(O)[C@@H]1CNCCO1 CS-0031402 [0,1,0,1,0,0|2,0,0]=4 1110 B9R1.6 O=C(O)[C@@H]1COCCN1 CS-0043806 [0,1,0,1,0,0|2,0,0]=4 1111 B9R1.6 O=C(O)[C@@H]1COCCN1 CS-W003069 [0,1,0,1,0,0|2,0,0]=4 1112 B9R1.6 O=C(O)[C@@H]1COCCO1 CS-0155208 [0,1,0,1,0,0|2,0,0]=4 1113 B9R1.6 O=C(O)[C@H]1CC=CCC1 CS-0021761 [0,1,0,1,0,0|1,0,1]=4 1114 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-0143812 [0,1,0,1,0,0|1,0,0]=3 1115 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-D1144 [0,1,0,1,0,0|1,0,0]=3 1116 B9R1.6 O=C(O)[C@H]1CCCNC1 CS-0043826 [0,1,0,1,0,0|1,0,0]=3 1117 B9R1.6 O=C(O)[C@H]1CNCCN1 CS-D1376 [0,1,0,1,0,0|2,0,0]=4 1118 B9R1.6 O=C(O)[C@H]1CNCCO1 CS-0102851 [0,1,0,1,0,0|2,0,0]=4 1119 B9R1.6 O=C(O)[C@H]1COCCN1 CS-0053321 [0,1,0,1,0,0|2,0,0]=4 1120 B9R1.6 O=C(O)[C@H]1COCCN1 CS-W021143 [0,1,0,1,0,0|2,0,0]=4 1121 B9R1.6 O=C(O)[C@H]1COCCO1 CS-0162226 [0,1,0,1,0,0|2,0,0]=4 1122 B9R1.6 O=S([O-])C1CCOCC1 CS-0698469 [0,1,0,1,0,0|2,0,0]=4 1123 B9R1.6 O=[N+]([O-])C1CCNCC1 CS-0162514 [0,1,0,1,0,0|2,0,0]=4 1124 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 CS-W013450 [0,1,0,1,0,0|1,0,0]=3 1125 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 CS-0043827 [0,1,0,1,0,0|1,0,0]=3 1126 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 CS-W008123 [0,1,0,1,0,0|1,0,0]=3 1127 B9R1.6 [C@H]1(C(=O)O)CCCNC1 CS-W013451 [0,1,0,1,0,0|1,0,0]=3 1128 B9R1.6 [C@H]1(C(=O)O)CNCCO1 CS-W006279 [0,1,0,1,0,0|2,0,0]=4 1129 B9R1.83 CCCCCCC1CO1 CS-0152296 [0,1,0,1,0,0|0,0,2]=4 1130 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,1,0,1,0,0|1,0,0]=3 1131 B9R1.23 CN1CC(CN)CC1=O CS-0051186 [0,1,0,1,0,0|2,0,0]=4 1132 B9R1.23 CN1CC(CO)CC1=O CS-0051148 [0,1,0,1,0,0|2,0,0]=4 1133 B9R1.35 CC(=O)N1CCC(O)C1 CS-0155043 [0,1,0,1,0,0|1,0,0]=3 1134 B9R1.35 CC(=O)N1CC[C@@H](O)C1 CS-0052712 [0,1,0,1,0,0|1,0,0]=3 1135 B9R1.35 CC(C)C1CNC(=O)C1 CS-0046667 [0,1,0,1,0,0|1,0,0]=3 1136 B9R1.35 CC(C)C1COC(=O)N1 CS-0076533 [0,1,0,1,0,0|2,0,0]=4 1137 B9R1.35 CC(C)[C@@H]1COC(=O)N1 CS-W002320 [0,1,0,1,0,0|2,0,0]=4 1138 B9R1.35 CC(C)[C@H]1COC(=O)N1 CS-W002062 [0,1,0,1,0,0|2,0,0]=4 1139 B9R1.35 CN1CCC(C(=O)O)C1 CS-0005397 [0,1,0,1,0,0|2,0,0]=4 1140 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 CS-0149995 [0,1,0,1,0,0|2,0,0]=4 1141 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 CS-0671280 [0,1,0,1,0,0|2,0,0]=4 1142 B9R1.35 NC(=O)[C@H]1C[C@@H](O)CN1 CS-0495436 [0,1,0,1,0,0|2,0,0]=4 1143 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,1,0,1,0,0|1,0,0]=3 1144 B9R1.35 NC1CCC(C(=O)O)C1 CS-0119364 [0,1,0,1,0,0|1,0,0]=3 1145 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0047789 [0,1,0,1,0,0|1,0,0]=3 1146 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,1,0,1,0,0|1,0,0]=3 1147 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0001906 [0,1,0,1,0,0|2,0,0]=4 1148 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,1,0,1,0,0|1,0,0]=3 1149 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,1,0,1,0,0|1,0,0]=3 1150 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0166792 [0,1,0,1,0,0|1,0,0]=3 1151 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 CS-0162383 [0,1,0,1,0,0|1,0,0]=3 1152 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 CS-0438145 [0,1,0,1,0,0|2,0,0]=4 1153 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0028271 [0,1,0,1,0,0|2,0,0]=4 1154 B9R1.35 O=C(O)C1CCC(Br)C1 CS-0380404 [0,1,0,1,0,0|1,0,0]=3 1155 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,1,0,1,0,0|1,0,0]=3 1156 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0037623 [0,1,0,1,0,0|2,0,0]=4 1157 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0058696 [0,1,0,1,0,0|2,0,0]=4 1158 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,1,0,1,0,0|2,0,0]=4 1159 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-W008928 [0,1,0,1,0,0|2,0,0]=4 1160 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0053410 [0,1,0,1,0,0|2,0,0]=4 1161 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0058726 [0,1,0,1,0,0|2,0,0]=4 1162 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-0028245 [0,1,0,1,0,0|2,0,0]=4 1163 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-W009077 [0,1,0,1,0,0|2,0,0]=4 1164 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 CS-0053465 [0,1,0,1,0,0|2,0,0]=4 1165 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,1,0,1,0,0|2,0,0]=4 1166 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0001913 [0,1,0,1,0,0|2,0,0]=4 1167 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,1,0,1,0,0|2,0,0]=4 1168 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,1,0,1,0,0|2,0,0]=4 1169 B9R1.35 O=C1CCC(C(=O)O)C1 CS-W001693 [0,1,0,1,0,0|1,0,1]=4 1170 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)C1 CS-0044068 [0,1,0,1,0,0|1,0,1]=4 1171 B9R1.35 [C@H]1(C(=O)O)CCC(=O)C1 CS-0044069 [0,1,0,1,0,0|1,0,1]=4 1172 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 CS-W008129 [0,1,0,1,0,0|2,0,0]=4 1173 B9R1.69 CC1CCC(O)CC1C CS-0206609 [0,1,0,1,0,0|0,0,2]=4 1174 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0010 [0,1,0,1,0,0|1,0,0]=3 1175 B9R1.110 N[C@@H](C(=O)O)C1CCC1 CS-0053495 [0,1,0,1,0,0|1,0,0]=3 1176 B9R1.110 N[C@@H](C(=O)O)C1COC1 CS-0043570 [0,1,0,1,0,0|2,0,0]=4 1177 B9R1.110 N[C@H](C(=O)O)C1CCC1 CS-W021160 [0,1,0,1,0,0|1,0,0]=3 1178 B9R1.112 NC(CC1CC1)C(=O)O CS-0043558 [0,1,0,1,0,0|1,0,0]=3 1179 B9R1.112 N[C@H](CC1CC1)C(=O)O CS-W013449 [0,1,0,1,0,0|1,0,0]=3 1180 B9R1.112 [C@H](N)(CC1CC1)C(=O)O CS-W008028 [0,1,0,1,0,0|1,0,0]=3 1181 B9R1.163 CC1(C(=O)O)CCCC1 CS-0135257 [0,1,0,1,0,0|1,0,0]=3 1182 B9R1.163 CC1(C(=O)O)CCCO1 CS-0100004 [0,1,0,1,0,0|2,0,0]=4 1183 B9R1.163 CC1(C(=O)O)CCNC1 CS-0091785 [0,1,0,1,0,0|2,0,0]=4 1184 B9R1.163 CC1(C(=O)O)CCOC1 CS-0051243 [0,1,0,1,0,0|2,0,0]=4 1185 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1365 [0,1,0,1,0,0|2,0,0]=4 1186 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1378 [0,1,0,1,0,0|2,0,0]=4 1187 B9R1.163 C[C@@]1(C(=O)O)CCNC1 CS-0133807 [0,1,0,1,0,0|2,0,0]=4 1188 B9R1.163 C[C@]1(C(=O)O)CCCN1 CS-M3406 [0,1,0,1,0,0|2,0,0]=4 1189 B9R1.163 C[C@]1(C(=O)O)CCNC1 CS-0133594 [0,1,0,1,0,0|2,0,0]=4 1190 B9R1.163 NC1(C(=O)O)CCCC1 CS-B0093 [0,1,0,1,0,0|1,0,0]=3 1191 B9R1.163 NC1(C(=O)O)CCNC1 CS-M0821 [0,1,0,1,0,0|2,0,0]=4 1192 B9R1.163 O=C(O)C1(F)CCCC1 CS-0054991 [0,1,0,1,0,0|1,0,0]=3 1193 B9R1.163 O=C(O)C1(O)CCCC1 CS-W006221 [0,1,0,1,0,0|1,0,0]=3 1194 B9R1.10 CC1(C)CCC(N)CC1 CS-0153790 [0,1,0,1,0,0|1,0,1]=4 1195 B9R1.10 CC1(C)CCC(N)CC1 CS-0153791 [0,1,0,1,0,0|1,0,1]=4 1196 B9R1.10 CC1(C)CCC(O)CC1 CS-W019410 [0,1,0,1,0,0|1,0,1]=4 1197 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 CS-0038308 [0,1,0,1,0,0|0,0,2]=4 1198 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 CS-0049749 [0,1,0,1,0,0|0,0,2]=4 1199 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 CS-0038204 [0,1,0,1,0,0|0,0,2]=4 1200 B9R1.10 NC1CCS(=O)(=O)CC1 CS-0012628 [0,1,0,1,0,0|2,0,0]=4 1201 B9R1.10 NC1CCS(=O)(=O)CC1 CS-D1060 [0,1,0,1,0,0|2,0,0]=4 1202 B9R1.10 O=S1(=O)CCC(O)CC1 CS-W005199 [0,1,0,1,0,0|2,0,0]=4 1203 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [0,1,0,1,0,0|1,0,1]=4 1204 B9R1.133 CNC1CCS(=O)(=O)C1 CS-0206001 [0,1,0,1,0,0|2,0,0]=4 1205 B9R1.147 CC1(CCC(=O)O)CC1 CS-0240053 [0,1,0,1,0,0|1,0,0]=3 1206 B9R1.19 CC(C)(O)C1CCCC1 CS-0446914 [0,1,0,1,0,0|0,0,2]=4 1207 B9R1.114 CS(=O)(=O)CC1CNC1 CS-0051678 [0,1,0,1,0,0|2,0,0]=4 1208 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F CS-0312499 [0,1,0,1,0,0|2,0,0]=4 1209 B9R2.39 BrC1CC2CCC1C2 CS-0139601 [0,0,0,2,0,0|1,0,1]=4 1210 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 CS-0119860 [0,0,0,2,0,0|1,0,1]=4 1211 B9R2.39 O=C1CC2C=CC1C2 CS-0480105 [0,0,0,2,0,0|0,0,2]=4 1212 B9R2.39 O=C1CC2CCC1C2 CS-0072123 [0,0,0,2,0,0|0,0,0]=2 1213 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [0,0,0,2,0,0|1,0,0]=3 1214 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 CS-0131290 [0,0,0,2,0,0|1,0,0]=3 1215 B9R2.39 OC1CC2CCC1C2 CS-0214941 [0,0,0,2,0,0|0,0,2]=4 1216 B9R2.39 [C@H]1(N)C[C@@H]2CC[C@H]1C2 CS-0044000 [0,0,0,2,0,0|1,0,1]=4 1217 B9R2.39 [C@H]12CC[C@H](C1)[C@H](Br)C2 CS-0094482 [0,0,0,2,0,0|1,0,1]=4 1218 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 CS-0063194 [0,0,0,2,0,0|0,0,2]=4 1219 B9R2.68 C1CC2CCC(C1)N2 CS-0049977 [0,0,0,2,0,0|1,0,1]=4 1220 B9R2.109 O=C1CCCC2CC12 CS-0049777 [0,0,0,2,0,0|0,0,0]=2 1221 B9R2.109 O=C1CCCC2OC12 CS-0155446 [0,0,0,2,0,0|1,0,0]=3 1222 B9R2.7 O=C1CC2C=CCC12 CS-W008501 [0,0,0,2,0,0|0,0,2]=4 1223 B9R2.7 O=C1NC2CCCC12 CS-0063926 [0,0,0,2,0,0|1,0,0]=3 1224 B9R2.138 NC1CC2(CCC2)C1 CS-0048691 [0,0,0,2,0,0|1,0,1]=4 1225 B9R2.6 CC12CCCCC1O2 CS-0152704 [0,0,0,2,0,0|0,0,2]=4 1226 B9R2.143 O=C(O)C1CC12CC2 CS-0048700 [0,0,0,2,0,0|1,0,0]=3