0 B7R0.2 C=CC(C)OC(C)=O CS-0139597 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.2 CC(CCl)CN(C)C CS-W017630 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.2 CCC(C)CC(C)N CS-W016309 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.2 CCC(C)OC(=S)S CS-0182625 [0,0,0,0,0,0|1,2,0]=3 6 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.2 CCN(C)CC(=O)O CS-0144155 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 C=CCC(N)CO CS-0197807 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 CC(CO)CCN CS-0154050 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 CC(CO)CCO CS-0517219 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.1 CCCC(Cl)CC CS-0102884 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CCOC(C)CC CS-0196425 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CNC(C)COC CS-0301311 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 COC(C)CCO CS-W013686 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.1 OCCC(O)CO CS-0008443 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 OCC[C@H](O)CO CS-0000034 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.2 CC(=O)CC(N)=O CS-0134202 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 CC(=O)CN(C)C CS-0204530 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.2 CC(=O)NC(C)C CS-M3536 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.2 CC(=O)OC(C)Br CS-0135277 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.2 CC(C)=CC(=O)O CS-W011327 [1,0,0,0,0,0|0,0,2]=3 31 B6R0.2 CC(C)CB(O)O CS-W000978 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.2 CC(C)CC(=O)O CS-0881782 [1,0,0,0,0,0|0,0,0]=1 33 B6R0.2 CC(C)CC(=O)O CS-W013696 [1,0,0,0,0,0|0,0,0]=1 34 B6R0.2 CC(C)CC(N)=S CS-0642935 [1,0,0,0,0,0|1,1,0]=3 35 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.2 CC(C)NC(N)=O CS-0162822 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.2 CC(C)OC(=S)[S-] CS-0154170 [1,0,0,0,0,0|1,2,0]=4 38 B6R0.2 CC(C)OC(N)=O CS-0119929 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.2 CC(N)CC(=O)O CS-W009549 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.2 CC(O)CC(=O)O CS-0062335 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.2 CC(O)CC(C)O CS-0377993 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.2 CC(O)CC(N)=O CS-0435186 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.2 CN(C)CC(=O)O CS-D1391 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.2 CN(C)CC(=O)O CS-W001158 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.2 CN(C)CC(N)=S CS-W021439 [1,0,0,0,0,0|2,1,0]=4 46 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.2 C[C@@H](O)C[C@@H](C)O CS-0085737 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.2 NC(=O)CC(=O)O CS-0149950 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.4 C#CCCC(=O)O CS-W008784 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.4 C=CCCC(=O)O CS-W009138 [1,0,0,0,0,0|0,0,2]=3 60 B6R0.4 CC(=O)CCCCl CS-W013569 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.4 CC(=O)CCCO CS-0020001 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 CC(=O)NCCO CS-W013689 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.4 CC(=O)OCCBr CS-W007598 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.4 CC(=O)OCCN CS-0657679 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 CC(=O)OCCO CS-0154995 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.4 CC(O)CCCO CS-0154051 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.4 CCC#CC(=O)O CS-W013726 [1,0,0,0,0,0|0,0,2]=3 68 B6R0.4 CCCCB(O)O CS-W000932 [1,0,0,0,0,0|1,0,1]=3 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|1,0,1]=3 72 B6R0.4 CCCC[C@@H](C)O CS-0179419 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.4 CCCC[C@H](C)O CS-0179420 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.4 CCCNC(C)=O CS-0246738 [1,0,0,0,0,0|2,0,0]=3 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|1,0,0]=2 77 B6R0.4 CCOCC(=O)O CS-0071579 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.4 CCSCC(=O)O CS-0197336 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.4 CC\C=C\C(=O)O CS-0053528 [1,0,0,0,0,0|0,0,2]=3 80 B6R0.4 CNCCC(=O)O CS-0112815 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.4 CNCCC(=O)O CS-0169148 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.4 CNCCC(N)=O CS-0214971 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.4 COCCC(=O)O CS-W009112 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.4 CO\C=C\C(=O)O CS-0201343 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.4 CS(=O)CCCN CS-0286765 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.4 CSCCC(=O)O CS-6296 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.4 CSCCC(C)=O CS-0206726 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.4 C\C=C\CC(=O)O CS-0129103 [1,0,0,0,0,0|0,0,2]=3 89 B6R0.4 N#CCCC(=O)O CS-W018565 [1,0,0,0,0,0|1,0,1]=3 90 B6R0.4 N=C(O)NCCO CS-W011301 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.4 NC(=O)NCCCl CS-0317452 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.4 NCCCC(=O)O CS-W020704 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.4 NCCCC(N)=O CS-0103894 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.4 NCCNC(N)=O CS-0139236 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.4 O=C(O)C#CCO CS-0005249 [1,0,0,0,0,0|1,0,2]=4 96 B6R0.4 O=C(O)CCCBr CS-W016047 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.4 O=C(O)CCCCl CS-W013545 [1,0,0,0,0,0|1,0,0]=2 98 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [1,0,0,0,0,0|1,0,2]=4 99 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.4 O=CNCC(=O)O CS-0102520 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.4 O=[N+]([O-])CCCO CS-0209456 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.4 [N-]=[N+]=NCC(=O)O CS-0618774 [1,0,0,0,0,0|3,0,0]=4 103 B8R0.2 CCC(C)C(N)C(=O)O CS-1225312 [0,1,0,0,0,0|0,0,0]=1 104 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CS-0011133 [0,1,0,0,0,0|0,0,0]=1 105 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CS-W009266 [0,1,0,0,0,0|0,0,0]=1 106 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W013422 [0,1,0,0,0,0|0,0,0]=1 107 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W018502 [0,1,0,0,0,0|0,0,0]=1 108 B8R0.2 COC(=O)C(C)C(=O)O CS-0072824 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O CS-0043555 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CS-0064614 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CS-0140508 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC CS-W008464 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [0,1,0,0,0,0|1,0,0]=2 114 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,1,0,0,0,0|0,0,2]=3 116 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [0,1,0,0,0,0|1,0,1]=3 117 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.5 CCOC(=O)CC(N)=O CS-W002214 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.5 COCC(C)OC(C)=O CS-0198137 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.16 CCC(CO)CC(C)C CS-0152610 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.16 CCN(CC)CC(=O)O CS-0044402 [0,1,0,0,0,0|1,0,0]=2 122 B8R0.16 COC(CC(=O)O)OC CS-0372688 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.16 COC(CC(C)=O)OC CS-0008327 [0,1,0,0,0,0|2,0,0]=3 124 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [0,1,0,0,0,0|1,0,1]=3 126 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [0,1,0,0,0,0|1,0,0]=2 128 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.19 COC(=O)CC(=O)CCl CS-0044248 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.19 COC(=O)CC(=O)O[K] CS-M3561 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.23 CC(=O)N(C)CC(=O)O CS-0169319 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [0,1,0,0,0,0|1,0,0]=2 137 B8R0.23 CC(CC(=O)O)C(=O)O CS-W011097 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.23 CN(CC(=O)O)C(=N)N CS-W011104 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.23 CN(CC(=O)O)C(N)=O CS-0067086 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.23 NC(=O)[C@H](N)CC(=O)O CS-0449242 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-0009701 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] CS-0021584 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.23 N[C@H](CC(=O)O)C(=O)O CS-0020434 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.23 O=C(O)CC(O)C(=O)O CS-0017784 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.23 O=C(O)CC(O)C(=O)O CS-0757668 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CS-B0824 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.23 O=C(O)C[C@H](O)C(=O)O CS-W020132 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.34 CSC(C)(C)CC(C)=O CS-0199050 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,0,0,1,0,0|0,0,2]=3 154 B8R1.1 C=CC1COC(=O)O1 CS-W011250 [0,0,0,1,0,0|1,0,2]=4 155 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [0,0,0,1,0,0|0,0,2]=3 156 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.1 CCC1COC(=O)N1 CS-0447690 [0,0,0,1,0,0|1,0,0]=2 158 B8R1.1 CCC1COC(=O)O1 CS-0187002 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [0,0,0,1,0,0|1,0,0]=2 160 B8R1.1 N#C[C@@H]1CCC(=O)C1 CS-0056414 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,0,0,1,0,0|1,0,0]=2 168 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.1 O=C1NCC(CO)O1 CS-0113076 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.1 O=C1NC[C@@H](CCl)O1 CS-0186187 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.1 O=C1NC[C@@H](CO)O1 CS-0067235 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.1 O=C1NC[C@H](CCl)O1 CS-0436811 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.1 O=C1NC[C@H](CO)O1 CS-0131343 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.1 OC1=NCC(CCl)O1 CS-W011062 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,0,0,1,0,0|1,0,2]=4 187 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.4 NC1CCCC(O)C1 CS-W005423 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0047790 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0134685 [0,0,0,1,0,0|2,0,1]=4 204 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0112892 [0,0,0,1,0,0|2,0,1]=4 205 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,0,0,1,0,0|1,0,2]=4 210 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,0,0,1,0,0|1,0,1]=3 211 B8R1.18 CN1CC(=O)OC1=O CS-0109855 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.34 CC(=O)NC1CNC1 CS-0048846 [0,0,0,1,0,0|3,0,0]=4 213 B8R1.34 O=C(O)C=C1CCC1 CS-0045555 [0,0,0,1,0,0|0,0,2]=3 214 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [0,0,0,1,0,0|0,0,0]=1 215 B8R1.34 O=C(O)CC1COC1 CS-0045509 [0,0,0,1,0,0|1,0,0]=2 216 B8R1.42 CC1(CC(=O)O)CC1 CS-0029552 [0,0,0,1,0,0|0,0,0]=1 217 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O CS-0047826 [0,0,0,1,0,0|1,0,1]=3 218 B8R1.51 NC1CCS(=O)(=O)C1 CS-W005500 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 CS-B0948 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.51 N[C@H]1CCS(=O)(=O)C1 CS-B0940 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.51 O=S1(=O)CCC(O)C1 CS-W017755 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 CS-0049703 [0,0,0,1,0,0|2,0,1]=4 223 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [0,0,0,0,1,0|0,0,2]=3 224 B6R0.3 C=C(CBr)C(=O)O CS-W017896 [0,0,0,0,1,0|1,0,2]=4 225 B6R0.3 C=C(I)[C@H](C)CI CS-M3569 [0,0,0,0,1,0|3,0,0]=4 226 B6R0.3 C=CC(C)C(=O)O CS-0006592 [0,0,0,0,1,0|0,0,2]=3 227 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [0,0,0,0,1,0|1,0,2]=4 228 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,0,0,0,1,0|1,0,2]=4 229 B6R0.3 CC(C#N)C(=O)O CS-0139286 [0,0,0,0,1,0|1,0,1]=3 230 B6R0.3 CC(CBr)C(=O)O CS-W016048 [0,0,0,0,1,0|1,0,0]=2 231 B6R0.3 CC(CN)C(=O)O CS-W013690 [0,0,0,0,1,0|1,0,0]=2 232 B6R0.3 CCC(=O)C(=O)O CS-W007926 [0,0,0,0,1,0|1,0,1]=3 233 B6R0.3 CCC(=O)C(C)=O CS-W013714 [0,0,0,0,1,0|2,0,1]=4 234 B6R0.3 CCC(Br)C(N)=O CS-0152635 [0,0,0,0,1,0|2,0,0]=3 235 B6R0.3 CCC(C)B(O)O CS-W011315 [0,0,0,0,1,0|1,0,1]=3 236 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,0,0,0,1,0|1,0,0]=2 237 B6R0.3 CCC(N)C(N)=O CS-0197483 [0,0,0,0,1,0|2,0,0]=3 238 B6R0.3 CCC(O)C(N)=O CS-0232591 [0,0,0,0,1,0|2,0,0]=3 239 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [0,0,0,0,1,0|1,0,0]=2 240 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [0,0,0,0,1,0|0,0,0]=1 241 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [0,0,0,0,1,0|1,0,0]=2 242 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [0,0,0,0,1,0|2,0,0]=3 243 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [0,0,0,0,1,0|1,0,0]=2 244 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [0,0,0,0,1,0|1,0,0]=2 245 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [0,0,0,0,1,0|0,0,0]=1 246 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,0,0,0,1,0|1,0,0]=2 247 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [0,0,0,0,1,0|2,0,0]=3 248 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,0,0,0,1,0|2,0,0]=3 249 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [0,0,0,0,1,0|2,0,1]=4 250 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [0,0,0,0,1,0|1,0,0]=2 251 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,0,0,0,1,0|2,0,1]=4 252 B6R0.3 CNC(C)C(=O)O CS-W011307 [0,0,0,0,1,0|1,0,0]=2 253 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,0,0,0,1,0|1,0,0]=2 254 B6R0.3 COC(C)C(=O)O CS-W004806 [0,0,0,0,1,0|1,0,0]=2 255 B6R0.3 CON(C)C(C)=O CS-W001095 [0,0,0,0,1,0|3,0,0]=4 256 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,0,0,0,1,0|1,0,0]=2 257 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,0,0,0,1,0|1,0,0]=2 258 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [0,0,0,0,1,0|1,0,0]=2 259 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,0,0,0,1,0|1,0,0]=2 260 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [0,0,0,0,1,0|1,0,0]=2 261 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [0,0,0,0,1,0|0,0,2]=3 262 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [0,0,0,0,1,0|0,0,2]=3 263 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,0,0,0,1,0|3,0,0]=4 264 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [0,0,0,0,1,0|3,0,0]=4 265 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [0,0,0,0,1,0|3,0,0]=4 266 B6R0.3 NC(CO)C(=O)O CS-0015292 [0,0,0,0,1,0|2,0,0]=3 267 B6R0.3 NC(CS)C(=O)O CS-0201576 [0,0,0,0,1,0|2,0,0]=3 268 B6R0.3 NC(CS)C(=O)O CS-W013566 [0,0,0,0,1,0|2,0,0]=3 269 B6R0.3 NC(CS)C(=O)O CS-W014367 [0,0,0,0,1,0|2,0,0]=3 270 B6R0.3 NC(CS)C(=O)O CS-W017432 [0,0,0,0,1,0|2,0,0]=3 271 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,0,0,0,1,0|2,0,0]=3 272 B6R0.3 NCC(N)C(=O)O CS-0130703 [0,0,0,0,1,0|2,0,0]=3 273 B6R0.3 NCC(N)C(=O)O CS-W014390 [0,0,0,0,1,0|2,0,0]=3 274 B6R0.3 NCC(O)C(=O)O CS-W013682 [0,0,0,0,1,0|2,0,0]=3 275 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [0,0,0,0,1,0|2,0,0]=3 276 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [0,0,0,0,1,0|2,0,0]=3 277 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,0,0,0,1,0|2,0,0]=3 278 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [0,0,0,0,1,0|2,0,0]=3 279 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [0,0,0,0,1,0|2,0,0]=3 280 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [0,0,0,0,1,0|2,0,0]=3 281 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [0,0,0,0,1,0|2,0,0]=3 282 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [0,0,0,0,1,0|2,0,0]=3 283 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [0,0,0,0,1,0|2,0,0]=3 284 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [0,0,0,0,1,0|2,0,0]=3 285 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,0,0,0,1,0|2,0,0]=3 286 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [0,0,0,0,1,0|2,0,0]=3 287 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [0,0,0,0,1,0|2,0,0]=3 288 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,0,0,0,1,0|2,0,0]=3 289 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,0,0,0,1,0|2,0,0]=3 290 B6R0.3 O=C(O)C(=O)CBr CS-5517 [0,0,0,0,1,0|2,0,1]=4 291 B6R0.3 O=C(O)C(O)CCl CS-0186802 [0,0,0,0,1,0|2,0,0]=3 292 B6R0.3 O=C(O)C(O)CO CS-W018821 [0,0,0,0,1,0|2,0,0]=3 293 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,0,0,0,1,0|1,0,0]=2 294 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [0,0,0,0,1,0|1,0,0]=2 295 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [0,0,0,0,1,0|1,0,0]=2 296 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [0,0,0,0,1,0|2,0,0]=3 297 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [0,0,0,0,0,1|1,0,1]=3 298 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,0,0,0,0,1|2,0,1]=4 299 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [0,0,0,0,0,1|2,0,1]=4 300 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [0,0,0,0,0,1|2,0,1]=4 301 B8R0.9 NCC(=O)NCC(=O)O CS-0015211 [0,0,0,0,0,1|2,0,1]=4 302 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [0,0,0,0,0,1|2,0,1]=4 303 B5R0.1 C#CCC(=O)O CS-W004784 [2,0,0,0,0,0|0,0,2]=4 304 B5R0.1 C=CCC(=O)O CS-0069849 [2,0,0,0,0,0|0,0,2]=4 305 B5R0.1 C=CC[C@H](C)O CS-0081915 [2,0,0,0,0,0|2,0,0]=4 306 B5R0.1 CC#CC(=O)O CS-W007936 [2,0,0,0,0,0|0,0,2]=4 307 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.1 CC(=O)CCN CS-0209803 [2,0,0,0,0,0|2,0,0]=4 309 B5R0.1 CC(C)CNN CS-0067938 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.1 CC(C)CON CS-0136014 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.1 CC(C)\C=N\O CS-W000111 [2,0,0,0,0,0|1,0,1]=4 312 B5R0.1 CC(N)CCO CS-W004841 [2,0,0,0,0,0|1,0,1]=4 313 B5R0.1 CC(O)CCO CS-0115644 [2,0,0,0,0,0|1,0,1]=4 314 B5R0.1 CCCB(O)O CS-W007470 [2,0,0,0,0,0|1,0,1]=4 315 B5R0.1 CCCC(=N)N CS-W013544 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.1 CCCC(=O)O CS-0977378 [2,0,0,0,0,0|0,0,0]=2 317 B5R0.1 CCCC(N)=O CS-0130522 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.1 CCNC(N)=O CS-W011351 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.1 CCOC(N)=O CS-4731 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.1 CN(C)NC=O CS-M2144 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.1 CNCC(=O)O CS-W018511 [2,0,0,0,0,0|1,0,0]=3 323 B5R0.1 CNCC(N)=O CS-W011178 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.1 CSCC(=O)O CS-0015159 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.1 CSCC(N)=O CS-0150088 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.1 C[C@@H](N)CCO CS-W013746 [2,0,0,0,0,0|1,0,1]=4 328 B5R0.1 C[C@@H](O)CCO CS-M1638 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.1 C[C@H](N)CCO CS-W019851 [2,0,0,0,0,0|1,0,1]=4 330 B5R0.1 C[C@H](O)CCO CS-W016671 [2,0,0,0,0,0|1,0,1]=4 331 B5R0.1 C\C=C\C(=O)O CS-0017976 [2,0,0,0,0,0|0,0,2]=4 332 B5R0.1 N=C(O)CCN CS-W007497 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.1 NC(=O)CCBr CS-0046169 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.1 NC(=O)CCCl CS-0204808 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.1 NC(=O)CCO CS-0205185 [2,0,0,0,0,0|2,0,0]=4 336 B5R0.1 NCCC(=O)O CS-0668359 [2,0,0,0,0,0|1,0,0]=3 337 B5R0.1 NCCC(=O)O CS-W020126 [2,0,0,0,0,0|1,0,0]=3 338 B5R0.1 NCCS(=O)O CS-6985 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.1 NOCC(=O)O CS-8158 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.1 O=C(O)CCF CS-0038385 [2,0,0,0,0,0|1,0,0]=3 341 B5R0.1 O=C(O)CCI CS-0204563 [2,0,0,0,0,0|1,0,0]=3 342 B5R0.1 O=C(O)CCO CS-0147832 [2,0,0,0,0,0|1,0,0]=3 343 B5R0.2 C=CCCCI CS-0135974 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.2 C=CCCNC CS-0197692 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.2 CCCCON CS-0106180 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.2 CCNCCO CS-0076051 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.2 CC\C=C\C=O CS-0173472 [2,0,0,0,0,0|0,0,2]=4 348 B5R0.2 CNCCCO CS-W007469 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.2 CSCCCO CS-0015993 [2,0,0,0,0,0|1,0,1]=4 350 B5R0.2 NCCCCO CS-W002041 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.2 OCCCCBr CS-W000344 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.2 OCCCCCl CS-0022417 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.2 OCCCCF CS-0116811 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.3 CC(CBr)CBr CS-0154074 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.3 CC(CCl)CBr CS-0204235 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.3 CC(CN)CO CS-0447291 [2,0,0,0,0,0|1,0,0]=3 357 B5R0.3 CC(CO)CBr CS-0139638 [2,0,0,0,0,0|1,0,0]=3 358 B5R0.3 CC(CO)CO CS-0021060 [2,0,0,0,0,0|1,0,0]=3 359 B5R0.3 CCC(=O)CO CS-W005327 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.3 CCC(Br)CC CS-0015742 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.3 CCC(C)C#N CS-0648856 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.3 CCC(C)C#N CS-0649016 [2,0,0,0,0,0|1,0,1]=4 363 B5R0.3 CCC(C)C#N CS-0649019 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.3 CCC(N)CC CS-0128806 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.3 CCC(O)CC CS-0128838 [2,0,0,0,0,0|1,0,1]=4 366 B5R0.3 CCC(O)CN CS-0109319 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.3 CC[C@@H](C)CBr CS-0539690 [2,0,0,0,0,0|1,0,0]=3 368 B5R0.3 CC[C@@H](N)CO CS-W020734 [2,0,0,0,0,0|1,0,0]=3 369 B5R0.3 CC[C@H](C)CO CS-0139702 [2,0,0,0,0,0|0,0,0]=2 370 B5R0.3 CC[C@H](N)CO CS-W013745 [2,0,0,0,0,0|1,0,0]=3 371 B5R0.3 CC[C@H](O)CO CS-0031373 [2,0,0,0,0,0|1,0,0]=3 372 B5R0.3 CNC(C)CO CS-0197105 [2,0,0,0,0,0|1,0,0]=3 373 B5R0.3 CN[C@@H](C)CO CS-0139480 [2,0,0,0,0,0|1,0,0]=3 374 B5R0.3 CN[C@@H](C)CO CS-0162089 [2,0,0,0,0,0|1,0,0]=3 375 B5R0.3 CN[C@H](C)CO CS-0162211 [2,0,0,0,0,0|1,0,0]=3 376 B5R0.3 CON(C)C=O CS-0128675 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.3 CO[C@@H](C)CN CS-W021167 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.3 CO[C@@H](C)CO CS-0096324 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.3 CO[C@H](C)CN CS-0148788 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.3 CO[C@H](C)CN CS-0613352 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.3 CO[C@H](C)CO CS-W011349 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.3 C[C@@H](CO)CBr CS-0101486 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.3 NC(CO)CO CS-W007357 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.3 NC(CO)CO CS-W011141 [2,0,0,0,0,0|2,0,0]=4 385 B5R0.3 NCC(O)CO CS-W002040 [2,0,0,0,0,0|2,0,0]=4 386 B5R0.3 NC[C@@H](F)CO CS-0053486 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.3 NC[C@@H](O)CO CS-W002683 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.3 NC[C@H](F)CO CS-0053431 [2,0,0,0,0,0|2,0,0]=4 389 B5R0.3 O=CC(O)CO CS-0102543 [2,0,0,0,0,0|2,0,0]=4 390 B5R0.3 OCC(Cl)CO CS-0640889 [2,0,0,0,0,0|2,0,0]=4 391 B5R0.3 OCC(O)CBr CS-W018026 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.3 OCC(O)CO CS-6964 [2,0,0,0,0,0|2,0,0]=4 393 B5R0.3 OCC(O)CS CS-W011288 [2,0,0,0,0,0|2,0,0]=4 394 B5R0.3 OCC(S)CS CS-0013059 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.3 OC[C@@H](O)CCl CS-W018500 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.3 [C@H](O)(CN)CO CS-W017771 [2,0,0,0,0,0|2,0,0]=4 398 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [2,0,0,0,0,0|2,0,0]=4 399 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.7 CC(CCBr)CCBr CS-0182622 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.7 CC(CCO)CCO CS-0188324 [1,1,0,0,0,0|0,0,1]=3 402 B7R0.7 CCC[C@H](N)CCO CS-0152589 [1,1,0,0,0,0|1,0,1]=4 403 B7R0.7 OCCC(O)CCO CS-0469963 [1,1,0,0,0,0|1,0,1]=4 404 B7R0.10 O=C[C@H](O)[C@H](O)CO CS-0066906 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [1,1,0,0,0,0|0,0,1]=3 406 B7R0.11 COC(C)(C)CCO CS-0132453 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.12 CCC(\C=N\O)CC CS-0849967 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.12 CCN(CC)CCO CS-W010936 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.9 CC(C)(C)CB(O)O CS-0063198 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.9 CC(C)(C)NC(N)=O CS-0329615 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.9 CC(C)(C)OC(N)=O CS-D1170 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.9 CC(C)(N)CC(=O)O CS-W003906 [1,1,0,0,0,0|0,0,0]=2 413 B7R0.9 CC(C)(N)CC(=O)O CS-W004865 [1,1,0,0,0,0|0,0,0]=2 414 B7R0.9 CC(C)(N)CC(N)=O CS-0181808 [1,1,0,0,0,0|1,0,0]=3 415 B7R0.9 CC(C)(O)CC(=O)O CS-0059394 [1,1,0,0,0,0|0,0,0]=2 416 B7R0.9 CC(C)(O)CC(=O)[O-] CS-0187335 [1,1,0,0,0,0|0,0,1]=3 417 B7R0.9 CS(=O)(=O)CC(=O)O CS-W004723 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.9 C[N+](C)(C)CC(=O)[O-] CS-2947 [1,1,0,0,0,0|1,0,1]=4 419 B7R0.9 C[N+](C)(C)CC(=O)[O-] CS-W011064 [1,1,0,0,0,0|1,0,1]=4 420 B7R0.9 O=C(O)CC(F)(F)F CS-0051640 [1,1,0,0,0,0|2,0,0]=4 421 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [1,1,0,0,0,0|0,0,1]=3 422 B7R0.16 CC(C)C(Br)C(=O)O CS-0498321 [1,1,0,0,0,0|0,0,0]=2 423 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [1,1,0,0,0,0|0,0,0]=2 424 B7R0.16 CC(C)C(Cl)C(=O)O CS-0343571 [1,1,0,0,0,0|0,0,0]=2 425 B7R0.16 CC(C)C(N)C(=O)O CS-W013605 [1,1,0,0,0,0|0,0,0]=2 426 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [1,1,0,0,0,0|0,0,0]=2 427 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [1,1,0,0,0,0|0,0,0]=2 428 B7R0.16 CC(C)[C@@H](N)C(=O)O CS-0010218 [1,1,0,0,0,0|0,0,0]=2 429 B7R0.16 CC(C)[C@@H](N)C(N)=O CS-W002589 [1,1,0,0,0,0|1,0,0]=3 430 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [1,1,0,0,0,0|0,0,0]=2 431 B7R0.16 CC(C)[C@H](Cl)C(=O)O CS-0198767 [1,1,0,0,0,0|0,0,0]=2 432 B7R0.16 CC(C)[C@H](N)C(=O)O CS-W020706 [1,1,0,0,0,0|0,0,0]=2 433 B7R0.16 CC(C)[C@H](N)C(N)=O CS-W008135 [1,1,0,0,0,0|1,0,0]=3 434 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [1,1,0,0,0,0|0,0,0]=2 435 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [1,1,0,0,0,0|1,0,0]=3 436 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [1,1,0,0,0,0|1,0,0]=3 437 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [1,1,0,0,0,0|1,0,0]=3 438 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [1,1,0,0,0,0|1,0,0]=3 441 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [1,1,0,0,0,0|1,0,0]=3 443 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,1,0,0,0,0|0,0,1]=3 444 B7R0.4 C#CCOCC(=O)O CS-0070099 [1,1,0,0,0,0|0,0,2]=4 445 B7R0.4 C=CCCCC(=O)O CS-0113496 [1,1,0,0,0,0|0,0,1]=3 446 B7R0.4 CC(=O)CCCCCl CS-W013363 [1,1,0,0,0,0|1,0,0]=3 447 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.4 CC(=O)OCCCI CS-0166646 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.4 CC(O)CCCCO CS-0572924 [1,1,0,0,0,0|1,0,1]=4 450 B7R0.4 CCCCCB(O)O CS-W018820 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.4 CCCCCC(C)O CS-W016595 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [1,1,0,0,0,0|1,0,1]=4 453 B7R0.4 CCCCC[C@H](C)O CS-0179417 [1,1,0,0,0,0|1,0,1]=4 454 B7R0.4 CCCCNC(N)=O CS-0071736 [1,1,0,0,0,0|1,0,0]=3 455 B7R0.4 CCCCNC(N)=S CS-0132422 [1,1,0,0,0,0|1,1,0]=4 456 B7R0.4 CCCCOC(=S)[S-] CS-0187867 [1,1,0,0,0,0|0,2,0]=4 457 B7R0.4 CCCNCC(=O)O CS-0250530 [1,1,0,0,0,0|0,0,0]=2 458 B7R0.4 CCCOCC(=O)O CS-0152048 [1,1,0,0,0,0|0,0,0]=2 459 B7R0.4 CCCSCC(=O)O CS-0651549 [1,1,0,0,0,0|0,0,0]=2 460 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [1,1,0,0,0,0|0,0,1]=3 461 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,1,0,0,0,0|0,0,2]=4 463 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [1,1,0,0,0,0|0,0,1]=3 464 B7R0.4 CNCCCC(=O)O CS-0096860 [1,1,0,0,0,0|0,0,0]=2 465 B7R0.4 CNCCCC(=O)O CS-0133777 [1,1,0,0,0,0|0,0,0]=2 466 B7R0.4 COCCCC(=O)O CS-W001021 [1,1,0,0,0,0|0,0,0]=2 467 B7R0.4 COC\C=C\C(=O)O CS-0100437 [1,1,0,0,0,0|0,0,2]=4 468 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [1,1,0,0,0,0|0,0,1]=3 469 B7R0.4 N#CCCCC(=O)O CS-W018817 [1,1,0,0,0,0|0,0,1]=3 470 B7R0.4 NC(=O)COCCCl CS-0149936 [1,1,0,0,0,0|2,0,0]=4 471 B7R0.4 NCCCCC(=O)O CS-0181832 [1,1,0,0,0,0|0,0,0]=2 472 B7R0.4 NCCCCC(=O)O CS-W016594 [1,1,0,0,0,0|0,0,0]=2 473 B7R0.4 NCCNCC(=O)O CS-W013599 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.4 NCCOCC(=O)O CS-0115741 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.4 NCCOCC(=O)O CS-0115743 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.4 NCCOCC(=O)O CS-0127947 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.4 O=C(O)C#CCCO CS-0371334 [1,1,0,0,0,0|0,0,2]=4 478 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,1,0,0,0,0|0,0,0]=2 479 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,1,0,0,0,0|0,0,0]=2 480 B7R0.4 O=C(O)CNCCO CS-0158315 [1,1,0,0,0,0|1,0,0]=3 481 B7R0.4 O=C(O)COCCBr CS-0105329 [1,1,0,0,0,0|1,0,0]=3 482 B7R0.4 O=C(O)COCCCl CS-W006556 [1,1,0,0,0,0|1,0,0]=3 483 B7R0.4 O=C(O)COCCS CS-0115755 [1,1,0,0,0,0|1,0,0]=3 484 B7R0.4 O=C(O)COCCS CS-0115757 [1,1,0,0,0,0|1,0,0]=3 485 B7R0.4 O=C([O-])COCCO CS-0158309 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [1,1,0,0,0,0|0,0,1]=3 487 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [1,1,0,0,0,0|0,0,1]=3 489 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.6 CC(C)CCB(O)O CS-0154235 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.6 CC(C)CCC(=O)O CS-W016598 [1,1,0,0,0,0|0,0,0]=2 496 B7R0.6 CC(C)CCC(C)O CS-0225168 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.6 CC(C)OCC(=O)O CS-0005425 [1,1,0,0,0,0|1,0,0]=3 498 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [1,1,0,0,0,0|0,0,2]=4 499 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [1,1,0,0,0,0|0,0,2]=4 500 B7R0.6 CC(N)CCC(=O)O CS-0276521 [1,1,0,0,0,0|0,0,0]=2 501 B7R0.6 CC(O)CCC(C)O CS-0377979 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,1,0,0,0,0|1,0,0]=3 503 B7R0.6 C[C@@H](O)CC[C@@H](C)O CS-0040431 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [1,1,0,0,0,0|0,0,0]=2 505 B7R0.6 C[C@H](O)CC[C@H](C)O CS-W013595 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [1,1,0,0,0,0|1,0,0]=3 507 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.6 O=C(O)CCC(F)F CS-0375270 [1,1,0,0,0,0|1,0,0]=3 510 B7R0.6 O=C(O)COC(F)F CS-0102315 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.8 CCCCC(C)(C)O CS-0181812 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.8 CNCCS(=O)(=O)O CS-0150990 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.8 NCCCP(=O)(O)O CS-0158336 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.8 NCCCS(=O)(=O)O CS-5741 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.8 O=S(=O)(O)CCCO CS-W016464 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.13 C#CC(C)(C)C(=O)O CS-W018866 [0,1,0,0,1,0|0,0,2]=4 517 B7R0.13 C=CC(C)(C)C(=O)O CS-W006345 [0,1,0,0,1,0|0,0,2]=4 518 B7R0.13 CC(C)(C#N)C(=O)O CS-0066959 [0,1,0,0,1,0|1,0,1]=4 519 B7R0.13 CC(C)(CCl)C(=O)O CS-0140560 [0,1,0,0,1,0|1,0,0]=3 520 B7R0.13 CC(C)(CF)C(=O)O CS-W005928 [0,1,0,0,1,0|1,0,0]=3 521 B7R0.13 CC(C)(CN)C(=O)O CS-0107300 [0,1,0,0,1,0|1,0,0]=3 522 B7R0.13 CC(C)(CN)C(N)=O CS-W003343 [0,1,0,0,1,0|2,0,0]=4 523 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [0,1,0,0,1,0|1,0,0]=3 524 B7R0.13 CC(C)(ON)C(=O)O CS-0377037 [0,1,0,0,1,0|2,0,0]=4 525 B7R0.13 CCC(C)(C)C(=O)O CS-W016597 [0,1,0,0,1,0|0,0,0]=2 526 B7R0.13 CCC(C)(O)C(=O)O CS-W016590 [0,1,0,0,1,0|0,0,0]=2 527 B7R0.13 CC[C@@](C)(N)C(=O)O CS-W008544 [0,1,0,0,1,0|0,0,0]=2 528 B7R0.13 CC[C@](C)(N)C(=O)O CS-0433358 [0,1,0,0,1,0|0,0,0]=2 529 B7R0.13 CC[C@](C)(N)C(=O)O CS-W020180 [0,1,0,0,1,0|0,0,0]=2 530 B7R0.13 CNC(C)(C)C(=O)O CS-0142453 [0,1,0,0,1,0|1,0,0]=3 531 B7R0.13 COC(C)(C)C(=O)O CS-0046912 [0,1,0,0,1,0|1,0,0]=3 532 B7R0.13 C[C@@](N)(CO)C(=O)O CS-0136603 [0,1,0,0,1,0|1,0,0]=3 533 B7R0.13 C[C@@](N)(CS)C(=O)O CS-0308069 [0,1,0,0,1,0|1,0,0]=3 534 B7R0.13 C[C@@](O)(CBr)C(=O)O CS-W017072 [0,1,0,0,1,0|1,0,0]=3 535 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [0,1,0,0,1,0|1,0,0]=3 536 B7R0.13 C[C@](O)(CBr)C(=O)O CS-W019154 [0,1,0,0,1,0|1,0,0]=3 537 B7R0.13 NCC(F)(F)C(=O)O CS-W000458 [0,1,0,0,1,0|2,0,0]=4 538 B7R0.14 CCC(C)S(=O)(=O)O CS-0864131 [0,1,0,0,1,0|1,0,0]=3 539 B7R0.15 CCC(CC)C(=O)[O-] CS-0152606 [0,1,0,0,1,0|0,0,1]=3 540 B7R0.15 CCC(CC)C(C)=O CS-0149235 [0,1,0,0,1,0|1,0,0]=3 541 B7R0.15 CCC(CC)C(N)=O CS-0214584 [0,1,0,0,1,0|1,0,0]=3 542 B7R0.15 CCN(CC)C(C)=O CS-W009545 [0,1,0,0,1,0|2,0,0]=4 543 B7R0.15 O=C(O)C(CBr)CBr CS-0003905 [0,1,0,0,1,0|1,0,0]=3 544 B7R0.15 [C@@H](CO)(NC)C(=O)O CS-W013588 [0,1,0,0,1,0|1,0,0]=3 545 B9R0.7 CC(C)C(=O)NCC(=O)O CS-0201719 [0,1,0,0,0,1|1,0,1]=4 546 B9R0.7 CC(CCC(=O)O)C(=O)O CS-W018240 [0,1,0,0,0,1|1,0,1]=4 547 B9R0.7 CC(Cl)C(=O)NCC(=O)O CS-0161354 [0,1,0,0,0,1|1,0,1]=4 548 B9R0.7 CC(S)C(=O)NCC(=O)O CS-2431 [0,1,0,0,0,1|1,0,1]=4 549 B9R0.7 C[C@H](N)C(=O)NCC(=O)O CS-W010993 [0,1,0,0,0,1|1,0,1]=4 550 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CS-0158276 [0,1,0,0,0,1|1,0,1]=4 551 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CS-W017140 [0,1,0,0,0,1|0,0,0]=2 552 B9R0.43 COC(CNC(C)=O)OC CS-0314652 [0,1,0,0,0,1|2,0,0]=4 553 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [0,1,0,0,0,1|1,0,1]=4 554 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,1,0,0,0,1|1,0,1]=4 555 B9R0.48 COCC(C)OCC(C)O CS-W016335 [0,1,0,0,0,1|1,0,1]=4 556 B9R0.6 CCC[C@@H](N)C(O)C(N)=O CS-M1863 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.27 CCC(=O)C(F)C(=O)OC CS-M3568 [0,2,0,0,0,0|1,0,1]=4 558 B9R0.27 CCC(C)C(=O)C(=O)O[Na] CS-W018102 [0,2,0,0,0,0|0,0,1]=3 559 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CS-W017139 [0,2,0,0,0,0|0,0,0]=2 560 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr CS-0135565 [0,2,0,0,0,0|2,0,0]=4 561 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CS-W018249 [0,2,0,0,0,0|0,0,0]=2 562 B9R0.79 CC(C(=O)O)C(C)C(=O)O CS-0217793 [0,2,0,0,0,0|1,0,1]=4 563 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O CS-0037182 [0,2,0,0,0,0|1,0,1]=4 564 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O CS-W010987 [0,2,0,0,0,0|0,0,0]=2 565 B9R0.4 CCCCC(C)OC(C)=O CS-0255972 [0,2,0,0,0,0|2,0,0]=4 566 B9R0.4 CSCC[C@@H](N)CC(=O)O CS-0196593 [0,2,0,0,0,0|1,0,0]=3 567 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0062044 [0,2,0,0,0,0|1,0,0]=3 568 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0150087 [0,2,0,0,0,0|1,0,0]=3 569 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|1,0,1]=4 570 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,2,0,0,0,0|1,0,1]=4 571 B9R0.34 CCOC(=O)CC(=O)O[K] CS-D1444 [0,2,0,0,0,0|1,0,1]=4 572 B9R0.34 CCOC(=O)C[C@@H](O)CCl CS-W010802 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.34 CCOC(=O)C[C@H](O)CCl CS-W017853 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,2,0,0,0,0|1,0,1]=4 575 B9R0.53 CC(C)CC(C)CC(C)O CS-0232992 [0,2,0,0,0,0|1,0,1]=4 576 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,2,0,0,0,0|1,0,0]=3 578 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,2,0,0,0,0|1,0,0]=3 580 B9R0.53 CC(CC(=O)O)CC(=O)O CS-0059397 [0,2,0,0,0,0|0,0,1]=3 581 B9R0.53 CN(CC(=O)O)CC(=O)O CS-W007872 [0,2,0,0,0,0|1,0,1]=4 582 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0158462 [0,2,0,0,0,0|1,0,1]=4 583 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0161137 [0,2,0,0,0,0|1,0,1]=4 584 B9R0.58 CCCC(C)(O)CC(=O)O CS-W021935 [0,2,0,0,0,0|0,0,0]=2 585 B9R0.26 CCN(CC)CC(=O)O[Na] CS-0017849 [0,2,0,0,0,0|1,0,0]=3 586 B9R0.26 COC(=O)CC(OC)OC CS-W018190 [0,2,0,0,0,0|1,0,0]=3 587 B9R0.39 CNC(CC(=O)O)C(=O)O CS-W018216 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CS-2194 [0,2,0,0,0,0|1,0,1]=4 589 B9R0.63 COP(=O)(CC(=O)O)OC CS-0186443 [0,2,0,0,0,0|2,0,0]=4 590 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O CS-0145791 [0,2,0,0,0,0|1,0,0]=3 591 B9R0.10 CN(CC(=O)O)S(C)(=O)=O CS-0205351 [0,2,0,0,0,0|2,0,0]=4 592 B9R0.10 NC(CC(=O)O)C(F)(F)F CS-0132235 [0,2,0,0,0,0|2,0,0]=4 593 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F CS-0102137 [0,2,0,0,0,0|2,0,0]=4 594 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS-W016357 [0,2,0,0,0,0|1,0,1]=4 595 B9R0.11 CC(O)(CC(=O)O)C(=O)O CS-0231763 [0,2,0,0,0,0|1,0,1]=4 596 B7R1.1 BrCC1CCOC1 CS-W004268 [1,0,0,1,0,0|1,0,1]=4 597 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [1,0,0,1,0,0|1,0,1]=4 598 B7R1.1 ICC1CCOC1 CS-W004269 [1,0,0,1,0,0|1,0,1]=4 599 B7R1.1 NCC1CCOC1 CS-W004787 [1,0,0,1,0,0|1,0,1]=4 600 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [1,0,0,1,0,0|1,0,1]=4 601 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [1,0,0,1,0,0|1,0,1]=4 602 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [1,0,0,1,0,0|1,0,1]=4 603 B7R1.1 OCC1CC=CC1 CS-W003141 [1,0,0,1,0,0|2,0,0]=4 604 B7R1.1 OCC1CCOC1 CS-D1159 [1,0,0,1,0,0|1,0,1]=4 605 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [1,0,0,1,0,0|0,0,2]=4 606 B7R1.2 CC1CCC(=O)O1 CS-W016654 [1,0,0,1,0,0|1,0,0]=3 607 B7R1.2 CC1CNC(=O)C1 CS-0040667 [1,0,0,1,0,0|1,0,0]=3 608 B7R1.2 CC1COC(=O)N1 CS-0181060 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.2 CN1CCC(=O)C1 CS-0172438 [1,0,0,1,0,0|1,0,0]=3 610 B7R1.2 CN1CCC(O)C1 CS-M2838 [1,0,0,1,0,0|1,0,1]=4 611 B7R1.2 CN1CC[C@H](O)C1 CS-W003109 [1,0,0,1,0,0|1,0,1]=4 612 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [1,0,0,1,0,0|1,0,0]=3 613 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [1,0,0,1,0,0|2,0,0]=4 615 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [1,0,0,1,0,0|1,0,1]=4 617 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [1,0,0,1,0,0|1,0,0]=3 618 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [1,0,0,1,0,0|1,0,0]=3 619 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [1,0,0,1,0,0|1,0,0]=3 620 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|2,0,0]=4 622 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [1,0,0,1,0,0|1,0,1]=4 623 B7R1.2 NC1CCC(O)C1 CS-0083804 [1,0,0,1,0,0|1,0,1]=4 624 B7R1.2 NC1CCC(O)C1 CS-W005211 [1,0,0,1,0,0|1,0,1]=4 625 B7R1.2 NC1CNC(=O)C1 CS-W023257 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [1,0,0,1,0,0|1,0,1]=4 627 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [1,0,0,1,0,0|1,0,1]=4 628 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0044036 [1,0,0,1,0,0|1,0,1]=4 629 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [1,0,0,1,0,0|1,0,1]=4 630 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [1,0,0,1,0,0|2,0,0]=4 631 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|2,0,0]=4 632 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0062467 [1,0,0,1,0,0|1,0,1]=4 633 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [1,0,0,1,0,0|1,0,1]=4 634 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [1,0,0,1,0,0|1,0,1]=4 635 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0131617 [1,0,0,1,0,0|1,0,1]=4 636 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [1,0,0,1,0,0|2,0,0]=4 637 B7R1.2 O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4 638 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4 639 B7R1.2 O=C1CCC(O)C1 CS-0051334 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4 641 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [1,0,0,1,0,0|2,0,0]=4 642 B7R1.2 OC1CCC(O)C1 CS-0049625 [1,0,0,1,0,0|1,0,1]=4 643 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [1,0,0,1,0,0|1,0,1]=4 644 B7R1.2 [C@@H]1(O)CCN(C)C1 CS-W013705 [1,0,0,1,0,0|1,0,1]=4 645 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.3 BrC1CCOCC1 CS-W003396 [1,0,0,1,0,0|1,0,1]=4 647 B7R1.3 CC1CCOCC1 CS-0233092 [1,0,0,1,0,0|0,0,1]=3 648 B7R1.3 CC1CCOCO1 CS-0181838 [1,0,0,1,0,0|1,0,1]=4 649 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.3 ClC1CCOCC1 CS-W016579 [1,0,0,1,0,0|1,0,1]=4 651 B7R1.3 IC1CCOCC1 CS-W004278 [1,0,0,1,0,0|1,0,1]=4 652 B7R1.3 NC1CC=CCC1 CS-0076943 [1,0,0,1,0,0|2,0,0]=4 653 B7R1.3 NC1CCOCC1 CS-B0654 [1,0,0,1,0,0|1,0,1]=4 654 B7R1.3 NC1CCOCC1 CS-W002372 [1,0,0,1,0,0|1,0,1]=4 655 B7R1.3 OC1CC=CCC1 CS-0161778 [1,0,0,1,0,0|2,0,0]=4 656 B7R1.3 OC1CCOCC1 CS-W004264 [1,0,0,1,0,0|1,0,1]=4 657 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [1,0,0,1,0,0|2,0,0]=4 658 B7R1.4 CC1OCCC1S CS-W013594 [1,0,0,1,0,0|1,0,1]=4 659 B7R1.6 NOCC1CCC1 CS-0145228 [1,0,0,1,0,0|2,0,0]=4 660 B7R1.6 OCCC1COC1 CS-0052216 [1,0,0,1,0,0|1,0,1]=4 661 B7R1.6 OCCN1CCC1 CS-D0268 [1,0,0,1,0,0|1,0,1]=4 662 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [1,0,0,1,0,0|1,0,1]=4 663 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [1,0,0,1,0,0|1,0,1]=4 664 B7R1.10 C=C1CC(CO)C1 CS-0185403 [1,0,0,1,0,0|2,0,0]=4 665 B7R1.10 CNC1CC(O)C1 CS-0051674 [1,0,0,1,0,0|1,0,1]=4 666 B7R1.10 COC1CC(=O)C1 CS-0051289 [1,0,0,1,0,0|1,0,0]=3 667 B7R1.10 COC1CC(O)C1 CS-0056983 [1,0,0,1,0,0|1,0,1]=4 668 B7R1.10 N#CC1CC(=O)C1 CS-W004195 [1,0,0,1,0,0|1,0,1]=4 669 B7R1.10 NCC1CC(=O)C1 CS-0045539 [1,0,0,1,0,0|1,0,0]=3 670 B7R1.10 O=C1CC(CBr)C1 CS-0043859 [1,0,0,1,0,0|1,0,0]=3 671 B7R1.10 O=C1CC(CCl)C1 CS-0054362 [1,0,0,1,0,0|1,0,0]=3 672 B7R1.10 O=C1CC(CO)C1 CS-0045541 [1,0,0,1,0,0|1,0,0]=3 673 B7R1.10 OCC1CC(O)C1 CS-0186717 [1,0,0,1,0,0|1,0,1]=4 674 B7R1.12 CC1CC1C(=O)O CS-0072900 [1,0,0,1,0,0|0,0,0]=2 675 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [1,0,0,1,0,0|0,0,0]=2 676 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [1,0,0,1,0,0|0,0,0]=2 677 B7R1.12 O=C(O)C1CC1F CS-W006378 [1,0,0,1,0,0|1,0,0]=3 678 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [1,0,0,1,0,0|1,0,0]=3 679 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [1,0,0,1,0,0|1,0,0]=3 680 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [1,0,0,1,0,0|1,0,0]=3 681 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [1,0,0,1,0,0|1,0,0]=3 682 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [1,0,0,1,0,0|1,0,0]=3 683 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [1,0,0,1,0,0|1,0,0]=3 684 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [1,0,0,1,0,0|1,0,0]=3 685 B7R1.20 NC(=O)NC1CC1 CS-0073680 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.20 O=C(O)CC1CC1 CS-W011326 [1,0,0,1,0,0|0,0,0]=2 687 B7R1.18 CC(O)C1CCC1 CS-W006217 [1,0,0,1,0,0|1,0,1]=4 688 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,1,0,0|1,0,0]=3 689 B7R1.18 O=C(O)C1=CCC1 CS-0155456 [1,0,0,1,0,0|0,0,2]=4 690 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,1,0,0|0,0,0]=2 691 B7R1.18 O=C(O)C1CCN1 CS-M0178 [1,0,0,1,0,0|1,0,0]=3 692 B7R1.18 O=C(O)C1CCO1 CS-W006382 [1,0,0,1,0,0|1,0,0]=3 693 B7R1.18 O=C(O)C1CNC1 CS-0067915 [1,0,0,1,0,0|1,0,0]=3 694 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,1,0,0|1,0,0]=3 695 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [1,0,0,1,0,0|1,0,0]=3 696 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [1,0,0,1,0,0|1,0,0]=3 697 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [1,0,0,1,0,0|1,0,0]=3 698 B7R1.18 OB(O)C1CCC1 CS-W001218 [1,0,0,1,0,0|1,0,1]=4 699 B7R1.19 CC(=O)C1(Cl)CC1 CS-0186210 [0,0,0,1,1,0|2,0,0]=4 700 B7R1.19 CC1(C(=O)O)CC1 CS-W000087 [0,0,0,1,1,0|0,0,0]=2 701 B7R1.19 NC(=O)C1(Br)CC1 CS-0138277 [0,0,0,1,1,0|2,0,0]=4 702 B7R1.19 NC(=O)C1(N)CC1 CS-0036086 [0,0,0,1,1,0|2,0,0]=4 703 B7R1.19 NC1(C(=O)O)CC1 CS-0003966 [0,0,0,1,1,0|1,0,0]=3 704 B7R1.19 NC1(C(=O)O)CC1 CS-B0091 [0,0,0,1,1,0|1,0,0]=3 705 B7R1.19 O=C(O)C1(Br)CC1 CS-0043838 [0,0,0,1,1,0|1,0,0]=3 706 B7R1.19 O=C(O)C1(O)CC1 CS-W011313 [0,0,0,1,1,0|1,0,0]=3 707 B9R1.1 CCC1CCC(=O)CC1 CS-0226152 [0,0,0,1,0,1|1,0,0]=3 708 B9R1.1 CCC1CCC(O)CC1 CS-0152471 [0,0,0,1,0,1|1,0,1]=4 709 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,0,0,1,0,1|2,0,0]=4 710 B9R1.1 COC1CCC(=O)CC1 CS-W004809 [0,0,0,1,0,1|2,0,0]=4 711 B9R1.1 NCC1CNC(=O)CO1 CS-0311050 [0,0,0,1,0,1|2,0,0]=4 712 B9R1.1 O=C1CCC(CO)CC1 CS-W005330 [0,0,0,1,0,1|2,0,0]=4 713 B9R1.1 O=C1COC(CO)CN1 CS-W022434 [0,0,0,1,0,1|2,0,0]=4 714 B9R1.1 O=C1CO[C@@H](CO)CN1 CS-0183833 [0,0,0,1,0,1|2,0,0]=4 715 B9R1.1 O=C1CO[C@H](CO)CN1 CS-0036959 [0,0,0,1,0,1|2,0,0]=4 716 B9R1.35 CC(=O)N1CCC(O)C1 CS-0155043 [0,0,0,1,0,1|2,0,0]=4 717 B9R1.35 CC(=O)N1CC[C@@H](O)C1 CS-0052712 [0,0,0,1,0,1|2,0,0]=4 718 B9R1.35 CN1CCC(C(=O)O)C1 CS-0005397 [0,0,0,1,0,1|1,0,0]=3 719 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,0,0,1,0,1|1,0,0]=3 720 B9R1.35 NC1CCC(C(=O)O)C1 CS-0119364 [0,0,0,1,0,1|1,0,0]=3 721 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0047789 [0,0,0,1,0,1|1,0,0]=3 722 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,0,0,1,0,1|1,0,0]=3 723 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0001906 [0,0,0,1,0,1|2,0,0]=4 724 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,0,0,1,0,1|1,0,0]=3 725 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,0,0,1,0,1|1,0,0]=3 726 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0166792 [0,0,0,1,0,1|1,0,0]=3 727 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 CS-0162383 [0,0,0,1,0,1|1,0,0]=3 728 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 CS-0438145 [0,0,0,1,0,1|2,0,0]=4 729 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0028271 [0,0,0,1,0,1|2,0,0]=4 730 B9R1.35 O=C(O)C1CCC(Br)C1 CS-0380404 [0,0,0,1,0,1|1,0,0]=3 731 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,1,0,1|1,0,0]=3 732 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0037623 [0,0,0,1,0,1|2,0,0]=4 733 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0058696 [0,0,0,1,0,1|2,0,0]=4 734 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,1,0,1|2,0,0]=4 735 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-W008928 [0,0,0,1,0,1|2,0,0]=4 736 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0053410 [0,0,0,1,0,1|2,0,0]=4 737 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0058726 [0,0,0,1,0,1|2,0,0]=4 738 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-0028245 [0,0,0,1,0,1|2,0,0]=4 739 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-W009077 [0,0,0,1,0,1|2,0,0]=4 740 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 CS-0053465 [0,0,0,1,0,1|2,0,0]=4 741 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,1,0,1|2,0,0]=4 742 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0001913 [0,0,0,1,0,1|2,0,0]=4 743 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,1,0,1|2,0,0]=4 744 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,1,0,1|2,0,0]=4 745 B9R1.35 O=C1CCC(C(=O)O)C1 CS-W001693 [0,0,0,1,0,1|1,0,1]=4 746 B9R1.35 O=C1CCC(C(=O)O)N1 CS-W013454 [0,0,0,1,0,1|1,0,1]=4 747 B9R1.35 O=C1CCC(C(=O)O)O1 CS-0129013 [0,0,0,1,0,1|1,0,1]=4 748 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CS-M0659 [0,0,0,1,0,1|1,0,1]=4 749 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [0,0,0,1,0,1|1,0,1]=4 750 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CS-W002304 [0,0,0,1,0,1|1,0,1]=4 751 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,1,0,1|1,0,1]=4 752 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)C1 CS-0044068 [0,0,0,1,0,1|1,0,1]=4 753 B9R1.35 [C@H]1(C(=O)O)CCC(=O)C1 CS-0044069 [0,0,0,1,0,1|1,0,1]=4 754 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 CS-W008129 [0,0,0,1,0,1|2,0,0]=4 755 B9R1.49 CN1CCCC(=O)CC1 CS-W003427 [0,0,0,1,0,1|2,0,0]=4 756 B9R1.49 O=C1CCCC(O)CN1 CS-0187220 [0,0,0,1,0,1|2,0,0]=4 757 B9R1.69 CC1CCC(O)CC1C CS-0206609 [0,0,0,1,0,1|1,0,1]=4 758 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,0,0,1,0,1|0,0,0]=2 759 B9R1.147 CC1(CCC(=O)O)CC1 CS-0240053 [0,0,0,1,0,1|0,0,0]=2 760 B9R1.147 CC1(CCC(=O)O)N=N1 CS-0061126 [0,0,0,1,0,1|2,0,0]=4 761 B9R1.37 CC1=C(O)C(=O)OC1C CS-0035224 [0,1,0,1,0,0|0,0,2]=4 762 B9R1.41 CC1CCCC1C(=O)O CS-0047145 [0,1,0,1,0,0|0,0,0]=2 763 B9R1.41 CC1CNCC1C(=O)O CS-0460956 [0,1,0,1,0,0|0,0,0]=2 764 B9R1.41 CN1CCCC1C(=O)O CS-B1576 [0,1,0,1,0,0|1,0,0]=3 765 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001861 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.41 CN1CCC[C@H]1C(N)=O CS-0162641 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.41 CN1CSCC1C(=O)O CS-0597627 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CS-0120592 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O CS-0130164 [0,1,0,1,0,0|1,0,0]=3 772 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-0130633 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.41 O=C(O)C1NCCC1O CS-0465857 [0,1,0,1,0,0|1,0,0]=3 774 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CS-0058698 [0,1,0,1,0,0|1,0,0]=3 775 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-0184644 [0,1,0,1,0,0|1,0,0]=3 776 B9R1.41 [C@H]1(O)CCN[C@@H]1C(=O)O CS-W006575 [0,1,0,1,0,0|1,0,0]=3 777 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0010 [0,1,0,1,0,0|0,0,0]=2 778 B9R1.110 N[C@@H](C(=O)O)C1CCC1 CS-0053495 [0,1,0,1,0,0|0,0,0]=2 779 B9R1.110 N[C@@H](C(=O)O)C1COC1 CS-0043570 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.110 N[C@H](C(=O)O)C1CCC1 CS-W021160 [0,1,0,1,0,0|0,0,0]=2 781 B9R1.7 CCCC1CNC(=O)C1 CS-0061478 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.7 CCCC1COC(=O)O1 CS-0134586 [0,1,0,1,0,0|1,0,0]=3 783 B9R1.7 CCC[C@@H]1COC(=O)C1 CS-0188536 [0,1,0,1,0,0|0,0,0]=2 784 B9R1.7 O=S1OCC(CCCl)O1 CS-M1076 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.13 CC(=O)CC1CCCC1 CS-0134561 [0,1,0,1,0,0|1,0,0]=3 786 B9R1.13 CC(=O)OC1CCCO1 CS-0160246 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.13 NC(=O)NC1CCCC1 CS-0062148 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.13 O=C(O)CC1C=CCC1 CS-0147114 [0,1,0,1,0,0|0,0,1]=3 789 B9R1.13 O=C(O)CC1CCCC1 CS-W007405 [0,1,0,1,0,0|0,0,0]=2 790 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [0,1,0,1,0,0|0,0,0]=2 791 B9R1.13 O=C(O)CC1CCCO1 CS-0076866 [0,1,0,1,0,0|0,0,0]=2 792 B9R1.13 O=C(O)CC1CCNC1 CS-0052205 [0,1,0,1,0,0|0,0,0]=2 793 B9R1.13 O=C(O)CC1CCOC1 CS-W005250 [0,1,0,1,0,0|0,0,0]=2 794 B9R1.13 O=C(O)CN1CCCC1 CS-W004008 [0,1,0,1,0,0|1,0,0]=3 795 B9R1.13 O=C(O)CN1CCCC1 CS-W020371 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.13 O=C(O)C[C@@H]1CCCN1 CS-0035426 [0,1,0,1,0,0|0,0,0]=2 797 B9R1.13 O=C(O)C[C@@H]1CCNC1 CS-0052117 [0,1,0,1,0,0|0,0,0]=2 798 B9R1.13 O=C(O)C[C@@H]1CCOC1 CS-0155206 [0,1,0,1,0,0|0,0,0]=2 799 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [0,1,0,1,0,0|0,0,0]=2 800 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0035825 [0,1,0,1,0,0|0,0,0]=2 801 B9R1.13 OB(O)CC1CCCC1 CS-0243064 [0,1,0,1,0,0|1,0,1]=4 802 B9R1.13 [C@@H]1(CC(=O)O)CCCN1 CS-W010817 [0,1,0,1,0,0|0,0,0]=2 803 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 CS-0053170 [0,1,0,1,0,0|1,0,0]=3 804 B9R1.34 CC1CC(=O)CC(=O)C1 CS-0130624 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.34 CC1CC(=O)CC(C)N1 CS-0140246 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.34 CC1CC(=O)OC(=O)C1 CS-0152693 [0,1,0,1,0,0|0,0,1]=3 807 B9R1.34 CC1CC(C)CC(O)C1 CS-0188357 [0,1,0,1,0,0|1,0,1]=4 808 B9R1.34 CN1CC(=O)OC(=O)C1 CS-0163445 [0,1,0,1,0,0|1,0,1]=4 809 B9R1.38 CC1(C)CC(=O)OC1=O CS-W007998 [0,1,0,1,0,0|1,0,1]=4 810 B9R1.53 O=C(O)CC1CC(=O)C1 CS-0040780 [0,1,0,1,0,0|0,0,1]=3 811 B9R1.66 CC1(C)CC(=O)CCN1 CS-0153799 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.66 CC1(C)CC=CC(=O)C1 CS-0648459 [0,1,0,1,0,0|1,0,1]=4 814 B9R1.66 CC1(C)CCCC(=O)C1 CS-0010863 [0,1,0,1,0,0|1,0,0]=3 815 B9R1.66 CC1(C)CCCC(=O)N1 CS-0062136 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.137 NC(CC(=O)O)C1CC1 CS-0054269 [0,1,0,1,0,0|1,0,0]=3 817 B9R1.171 O=C(O)CC1(O)CCC1 CS-0037202 [0,1,0,1,0,0|0,0,0]=2 818 B9R1.2 CCN1CCNC(=O)C1 CS-0145869 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.2 CSC1CCCC(=O)C1 CS-0237612 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.2 N#CC1CCCC(=O)C1 CS-0119852 [0,1,0,1,0,0|1,0,1]=4 821 B9R1.2 NCC1CCNC(=O)C1 CS-0037079 [0,1,0,1,0,0|1,0,0]=3 822 B9R1.2 O=C1CC(CO)CCN1 CS-0051145 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.2 O=C1CCCC(CO)N1 CS-0099968 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.2 O=C1COCC(CO)N1 CS-W022261 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.2 O=C1COC[C@H](CO)N1 CS-0146689 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.128 O=C(O)CC1(CS)CC1 CS-0088374 [0,1,0,1,0,0|0,0,0]=2 827 B9R1.23 CN1CC(CN)CC1=O CS-0051186 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.23 CN1CC(CO)CC1=O CS-0051148 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.79 COC(=O)CC1COC1 CS-0049199 [0,1,0,1,0,0|1,0,0]=3 830 B9R1.88 COC(=O)C1CC1C#N CS-0514359 [0,1,0,1,0,0|1,0,1]=4 831 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO CS-0078750 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F CS-0312499 [0,1,0,1,0,0|1,0,0]=3 833 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CS-0053628 [0,1,0,1,0,0|1,0,1]=4 834 B9R2.39 O=C1CC2CCC1C2 CS-0072123 [0,0,0,2,0,0|1,0,0]=3 835 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [0,0,0,2,0,0|2,0,0]=4 836 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 CS-0131290 [0,0,0,2,0,0|2,0,0]=4 837 B9R2.39 OC1CC2CCC1C2 CS-0214941 [0,0,0,2,0,0|1,0,1]=4 838 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 CS-0063194 [0,0,0,2,0,0|1,0,1]=4 839 B9R2.25 O=C1OC(=O)C2CC12 CS-W002390 [0,0,0,2,0,0|1,0,1]=4 840 B9R2.109 O=C1CCCC2CC12 CS-0049777 [0,0,0,2,0,0|1,0,0]=3 841 B9R2.109 O=C1CCCC2OC12 CS-0155446 [0,0,0,2,0,0|2,0,0]=4 842 B9R2.143 O=C(O)C1CC12CC2 CS-0048700 [0,0,0,2,0,0|0,0,0]=2 843 B5R0.5 CC(=O)C(=O)O CS-W020190 [1,0,0,0,1,0|1,0,1]=4 844 B5R0.5 CC(=O)C(C)Br CS-0130132 [1,0,0,0,1,0|2,0,0]=4 845 B5R0.5 CC(=O)C(C)N CS-0105630 [1,0,0,0,1,0|2,0,0]=4 846 B5R0.5 CC(=O)N(C)C CS-W023195 [1,0,0,0,1,0|2,0,0]=4 847 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [1,0,0,0,1,0|1,0,1]=4 848 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [1,0,0,0,1,0|2,0,0]=4 849 B5R0.5 CC(Br)C(N)=O CS-0139914 [1,0,0,0,1,0|2,0,0]=4 850 B5R0.5 CC(C)B(O)O CS-W004088 [1,0,0,0,1,0|1,0,1]=4 851 B5R0.5 CC(C)C(=N)N CS-0120122 [1,0,0,0,1,0|2,0,0]=4 852 B5R0.5 CC(C)C(N)=O CS-W019979 [1,0,0,0,1,0|1,0,0]=3 853 B5R0.5 CC(F)C(=O)O CS-0180920 [1,0,0,0,1,0|1,0,0]=3 854 B5R0.5 CC(N)C(=O)O CS-0022544 [1,0,0,0,1,0|1,0,0]=3 855 B5R0.5 CC(N)C(N)=O CS-0186552 [1,0,0,0,1,0|2,0,0]=4 856 B5R0.5 CC(O)C(=O)O CS-0013338 [1,0,0,0,1,0|1,0,0]=3 857 B5R0.5 CC(O)C(=O)O CS-0031116 [1,0,0,0,1,0|1,0,0]=3 858 B5R0.5 CC(O)C(=O)O CS-0310546 [1,0,0,0,1,0|1,0,0]=3 859 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,0,0,0,1,0|1,0,1]=4 860 B5R0.5 CC(O)C(N)=O CS-0068194 [1,0,0,0,1,0|2,0,0]=4 861 B5R0.5 CN(C)C(N)=O CS-0132397 [1,0,0,0,1,0|2,0,0]=4 862 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [1,0,0,0,1,0|1,0,0]=3 863 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [1,0,0,0,1,0|2,0,0]=4 864 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [1,0,0,0,1,0|1,0,0]=3 865 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [1,0,0,0,1,0|2,0,0]=4 866 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,0,0,0,1,0|2,0,0]=4 867 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,0,0,0,1,0|2,0,0]=4 868 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [1,0,0,0,1,0|1,0,0]=3 869 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [1,0,0,0,1,0|2,0,0]=4 870 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [1,0,0,0,1,0|1,0,0]=3 871 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [1,0,0,0,1,0|2,0,0]=4 872 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [1,0,0,0,1,0|2,0,0]=4 873 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [1,0,0,0,1,0|2,0,0]=4 874 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [1,0,0,0,1,0|1,0,0]=3 875 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [1,0,0,0,1,0|2,0,0]=4 876 B5R0.5 NC(O)C(=O)O CS-0380752 [1,0,0,0,1,0|2,0,0]=4 877 B5R0.5 O=C(O)C(F)Cl CS-0204955 [1,0,0,0,1,0|2,0,0]=4 878 B5R0.5 O=C(O)[C@H](F)Cl CS-0434926 [1,0,0,0,1,0|2,0,0]=4 879 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [1,0,0,0,1,0|1,0,0]=3