0 B7R0.6 C(C(=O)O)=CC(=O)O CS-W016599 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 C(C(C)=O)=CN(C)C CS-W016611 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.6 CC(=O)OCC(N)=S CS-0248602 [0,0,0,0,0,0|3,1,0]=4 10 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.6 CC(=O)\C=C\C(=O)O CS-0155153 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.6 CC(C)CCB(O)O CS-0154235 [0,0,0,0,0,0|1,0,3]=4 15 B7R0.6 CC(C)CCC(=O)O CS-W016598 [0,0,0,0,0,0|0,0,2]=2 16 B7R0.6 CC(C)CCC(C)O CS-0225168 [0,0,0,0,0,0|1,0,3]=4 17 B7R0.6 CC(C)OCC(=O)O CS-0005425 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [0,0,0,0,0,0|0,0,2]=2 19 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [0,0,0,0,0,0|0,0,2]=2 20 B7R0.6 CC(N)CCC(=O)O CS-0276521 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,0,0,0,0,0|1,0,1]=2 22 B7R0.6 CN(C)\C=C\[N+](=O)[O-] CS-D1168 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.6 N=C(N)NCC(=O)O CS-0040590 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.6 NC(=O)CCC(N)=O CS-0204735 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.6 NC(=O)NCC(=O)O CS-0204817 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.6 NC(=O)\C=C\C(N)=O CS-0179365 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.6 O=C(O)C#CC(=O)O CS-0020047 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.6 O=C(O)CCC(F)F CS-0375270 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 O=C(O)COC(F)F CS-0102315 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.6 O=C(O)\C=C\C(=O)O CS-0158509 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.6 O=C([O-])CCC(=O)[O-] CS-0158417 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.6 O=C([O-])\C=C\C(=O)[O-] CS-0013603 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.4 C#CCCC(=O)O CS-W008784 [1,0,0,0,0,0|0,0,3]=4 38 B6R0.4 C=CCCC(=O)O CS-W009138 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.4 CC(=O)CCCO CS-0020001 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.4 CC(=O)NCCO CS-W013689 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 CC(=O)OCCO CS-0154995 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.4 CC(C)=CCCBr CS-0155165 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.4 CC(C)CCCO CS-W007511 [1,0,0,0,0,0|0,0,3]=4 44 B6R0.4 CC(C)NCCO CS-0076304 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 CCC#CC(=O)O CS-W013726 [1,0,0,0,0,0|0,0,3]=4 46 B6R0.4 CCNCC(=O)O CS-0201673 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.4 CCOCC(=O)O CS-0071579 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.4 CCSCC(=O)O CS-0197336 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.4 CC\C=C\C(=O)O CS-0053528 [1,0,0,0,0,0|0,0,2]=3 50 B6R0.4 CN(C)\C=C\C=O CS-M0766 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.4 CNCCC(=O)O CS-0112815 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.4 CNCCC(=O)O CS-0169148 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.4 CNCCC(N)=O CS-0214971 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 COCCC(=O)O CS-W009112 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.4 CO\C=C\C(=O)O CS-0201343 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.4 CO\C=C\C(C)=O CS-0145411 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.4 CSCCC(=O)O CS-6296 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.4 CSCCC(C)=O CS-0206726 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.4 C\C=C\CC(=O)O CS-0129103 [1,0,0,0,0,0|0,0,0]=1 61 B6R0.4 N#CCCC(=O)O CS-W018565 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.4 NCCCC(=O)O CS-W020704 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.4 O=C(O)CCCBr CS-W016047 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.4 O=C(O)CCCCl CS-W013545 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.4 O=CNCC(=O)O CS-0102520 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 [N-]=[N+]=NCC(=O)O CS-0618774 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.9 C=CC(=O)NCC(=O)O CS-0239984 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.9 CC(=O)OCC(=O)CCl CS-W018134 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.9 CNC(=O)CNC(C)=O CS-0277639 [0,1,0,0,0,0|3,0,0]=4 73 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,1,0,0,0,0|1,0,1]=3 74 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 COC(=O)CC[C@H](C)N CS-0572078 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.9 COC(=O)CNC(C)C CS-0200417 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.9 COC(=O)\C=C/C(=O)O CS-0187530 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.9 COC(=O)\C=C\C(=O)O CS-0026484 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.9 COC(=O)\C=C\N(C)C CS-0680413 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.9 NCC(=O)NCC(=O)O CS-0015211 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.23 C=C(CC(=O)O)C(=O)O CS-0015302 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.23 C=C(CN(C)C)C(=O)O CS-0168545 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.23 CC(=O)N(C)CC(=O)O CS-0169319 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.23 CC(=O)NC(C)C(=O)O CS-W011105 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CS-W004066 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [0,1,0,0,0,0|0,0,2]=3 95 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [0,1,0,0,0,0|0,0,3]=4 96 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,1,0,0,0,0|0,0,2]=3 97 B8R0.23 CC(C)CC(N)C(=O)O CS-W020700 [0,1,0,0,0,0|0,0,2]=3 98 B8R0.23 CC(C)CC(N)C(N)=O CS-0154067 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.23 CC(C)C[C@@H](N)C(=O)O CS-D1369 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.23 CC(C)C[C@@H](N)C(N)=O CS-0169320 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,1,0,0,0,0|0,0,2]=3 102 B8R0.23 CC(C)C[C@H](N)C(=O)O CS-W020705 [0,1,0,0,0,0|0,0,2]=3 103 B8R0.23 CC(C)C[C@H](N)C(N)=O CS-0128410 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [0,1,0,0,0,0|0,0,2]=3 105 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,1,0,0,0,0|0,0,2]=3 106 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [0,1,0,0,0,0|0,0,2]=3 107 B8R0.23 CC(CC(=O)O)C(=O)O CS-W011097 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.23 CN(CC(=O)O)C(=N)N CS-W011104 [0,1,0,0,0,0|3,0,0]=4 109 B8R0.23 CN(CC(=O)O)C(N)=O CS-0067086 [0,1,0,0,0,0|3,0,0]=4 110 B8R0.23 CS(=O)C[C@H](N)C(=O)O CS-W018120 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [0,1,0,0,0,0|1,0,2]=4 112 B8R0.23 C\C(=C/C(=O)O)C(=O)O CS-0007669 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.23 C\C(=C\C(=O)O)C(=O)O CS-0059543 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.23 NC(=O)CC(N)C(=O)O CS-0188414 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.23 NC(=O)CC(N)C(=O)O CS-W018158 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W011094 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W018160 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-0009702 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.23 NC(=O)[C@H](N)CC(=O)O CS-0449242 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-0009701 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] CS-0021584 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.23 N[C@H](CC(=O)O)C(=O)O CS-0020434 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.23 O=C(O)CC(=O)C(=O)O CS-W011098 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.23 O=C(O)CC(O)C(=O)O CS-0017784 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.23 O=C(O)CC(O)C(=O)O CS-0757668 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CS-B0824 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.23 O=C(O)C[C@H](O)C(=O)O CS-W020132 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,1,0,0,0,0|0,0,2]=3 131 B8R0.29 CC(C)(C)C#CC(=O)O CS-0371341 [0,1,0,0,0,0|0,0,3]=4 132 B8R0.29 CC(C)(C)NCC(=O)O CS-W021463 [0,1,0,0,0,0|1,0,1]=3 133 B8R0.29 CC(C)(C)OCC(=O)O CS-W013413 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.29 CC(C)(N)CCC(=O)O CS-0273048 [0,1,0,0,0,0|0,0,2]=3 135 B8R0.29 CC(F)(F)CCC(=O)O CS-0248177 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.29 CS(=O)(=O)CCC(=O)O CS-0038744 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.29 CS(=O)(=O)NCC(=O)O CS-0201713 [0,1,0,0,0,0|3,0,0]=4 138 B8R0.29 C[Si](C)(C)C#CC(=O)O CS-W018277 [0,1,0,0,0,0|0,1,2]=4 139 B8R0.29 C[Si](C)(C)CCC(=O)O CS-0698434 [0,1,0,0,0,0|0,1,1]=3 140 B8R1.3 CC1=CN=C(O)C=C1 CS-0101601 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.3 CC1=CNC(=O)C=C1 CS-W011282 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.3 CC1=CNC(=O)C=N1 CS-W008795 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.3 CC1=CNC(=O)N=C1 CS-0021071 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.3 CC1=NC=C(O)C=C1 CS-W004681 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.3 CC1=NNC(=O)C=C1 CS-W002182 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.3 CC1=NNC(=O)CC1 CS-W011268 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,0,0,1,0,0|1,0,2]=4 149 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.3 O=C1CNC(=O)CN1 CS-0046695 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.23 C=C1CC(C(=O)O)C1 CS-M1233 [0,0,0,1,0,0|0,0,2]=3 157 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [0,0,0,1,0,0|0,0,2]=3 158 B8R1.23 CN1CC(C(=O)O)C1 CS-W004004 [0,0,0,1,0,0|1,0,1]=3 159 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [0,0,0,1,0,0|1,0,2]=4 160 B8R1.23 O=C(O)C1CC(Cl)C1 CS-0051401 [0,0,0,1,0,0|1,0,2]=4 161 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [0,0,0,1,0,0|1,0,2]=4 162 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 CS-0179205 [0,0,0,1,0,0|1,0,2]=4 163 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 CS-W018750 [0,0,0,1,0,0|1,0,2]=4 164 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,0,0,1,0,0|1,0,1]=3 165 B8R1.23 O=C1CC(C(=O)O)N1 CS-W019929 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.23 O=C1C[C@@H](C(=O)O)N1 CS-W013626 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [0,0,0,1,0,0|1,0,2]=4 168 B8R1.35 O=C(O)C#CC1CC1 CS-0071182 [0,0,0,1,0,0|0,0,3]=4 169 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [0,0,0,1,0,0|0,0,2]=3 170 B8R1.35 O=C(O)\C=C\C1CC1 CS-B1741 [0,0,0,1,0,0|0,0,2]=3 171 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [0,0,0,1,0,0|1,0,2]=4 172 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,0,0,1,0,0|1,0,2]=4 173 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,0,0,1,0,0|0,0,2]=3 174 B8R1.51 CC1(C)CNC(=O)O1 CS-0139215 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.77 CC1(C)CC1C(=O)O CS-W005115 [0,0,0,1,0,0|0,0,2]=3 176 B8R1.77 CC1(C)C[C@@H]1C(N)=O CS-W013652 [0,0,0,1,0,0|1,0,2]=4 177 B6R0.2 CC(=O)CC(N)=O CS-0134202 [0,0,0,0,1,0|2,0,0]=3 178 B6R0.2 CC(=O)CN(C)C CS-0204530 [0,0,0,0,1,0|2,0,0]=3 179 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,0,0,0,1,0|2,0,1]=4 180 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,0,0,0,1,0|2,0,1]=4 181 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [0,0,0,0,1,0|2,0,1]=4 182 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,0,0,0,1,0|2,0,0]=3 183 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [0,0,0,0,1,0|2,0,0]=3 184 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [0,0,0,0,1,0|2,0,0]=3 185 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [0,0,0,0,1,0|2,0,0]=3 186 B6R0.2 CC(C)=CB(O)O CS-0046252 [0,0,0,0,1,0|1,0,1]=3 187 B6R0.2 CC(C)=CC(=O)O CS-W011327 [0,0,0,0,1,0|0,0,0]=1 188 B6R0.2 CC(C)CB(O)O CS-W000978 [0,0,0,0,1,0|1,0,2]=4 189 B6R0.2 CC(C)CC(=O)O CS-0881782 [0,0,0,0,1,0|0,0,1]=2 190 B6R0.2 CC(C)CC(=O)O CS-W013696 [0,0,0,0,1,0|0,0,1]=2 191 B6R0.2 CC(C)CC(N)=S CS-0642935 [0,0,0,0,1,0|1,1,1]=4 192 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [0,0,0,0,1,0|1,0,2]=4 193 B6R0.2 CC(C)NC(N)=O CS-0162822 [0,0,0,0,1,0|2,0,1]=4 194 B6R0.2 CC(C)OC(N)=O CS-0119929 [0,0,0,0,1,0|2,0,1]=4 195 B6R0.2 CC(N)CC(=O)O CS-W009549 [0,0,0,0,1,0|1,0,1]=3 196 B6R0.2 CC(O)CC(=O)O CS-0062335 [0,0,0,0,1,0|1,0,1]=3 197 B6R0.2 CC(O)CC(N)=O CS-0435186 [0,0,0,0,1,0|2,0,1]=4 198 B6R0.2 CN(C)CC(=O)O CS-D1391 [0,0,0,0,1,0|1,0,0]=2 199 B6R0.2 CN(C)CC(=O)O CS-W001158 [0,0,0,0,1,0|1,0,0]=2 200 B6R0.2 CN(C)CC(N)=S CS-W021439 [0,0,0,0,1,0|2,1,0]=4 201 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [0,0,0,0,1,0|2,0,1]=4 202 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,0,0,0,1,0|1,0,1]=3 203 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [0,0,0,0,1,0|1,0,1]=3 204 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [0,0,0,0,1,0|1,0,1]=3 205 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [0,0,0,0,1,0|1,0,0]=2 206 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [0,0,0,0,1,0|1,0,0]=2 207 B6R0.2 N=C(N)CC(N)=O CS-W018503 [0,0,0,0,1,0|3,0,0]=4 208 B6R0.2 NC(=O)CC(=O)O CS-0149950 [0,0,0,0,1,0|2,0,0]=3 209 B6R0.2 NC(=O)CC(N)=O CS-W011312 [0,0,0,0,1,0|3,0,0]=4 210 B6R0.2 O=C(O)[Ca]C(=O)O CS-0160132 [0,0,0,0,1,0|3,0,0]=4 211 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,0,0,0,1,0|1,0,1]=3 212 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,0,0,0,1,0|1,0,1]=3 213 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [0,0,0,0,1,0|1,0,1]=3 214 B8R0.28 C(C=C(C)C)=CC(C)=O CS-W013522 [0,0,0,0,0,1|1,0,1]=3 215 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,0,0,0,0,1|1,0,0]=2 216 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [0,0,0,0,0,1|1,0,1]=3 217 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [0,0,0,0,0,1|1,0,2]=4 218 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,0,0,0,0,1|1,0,1]=3 219 B8R0.28 CC(=O)OCC=C(C)C CS-W011131 [0,0,0,0,0,1|1,0,0]=2 220 B8R0.28 CC(=O)OCOC(C)=O CS-W004911 [0,0,0,0,0,1|3,0,0]=4 221 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [0,0,0,0,0,1|1,0,1]=3 222 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [0,0,0,0,0,1|1,0,2]=4 223 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [0,0,0,0,0,1|1,0,1]=3 224 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [0,0,0,0,0,1|0,0,2]=3 225 B8R0.28 CN(C)CC#CC(=O)O CS-0371338 [0,0,0,0,0,1|1,0,2]=4 226 B8R0.28 CN(C)CC#CC(=O)O CS-0564430 [0,0,0,0,0,1|1,0,2]=4 227 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [0,0,0,0,0,1|1,0,1]=3 228 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,0,0,0,0,1|1,0,1]=3 229 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [0,0,0,0,0,1|1,0,1]=3 230 B8R0.28 CN(C)C\C=C\C(=O)O CS-0132058 [0,0,0,0,0,1|1,0,1]=3 231 B8R0.28 CN(C)C\C=C\C(=O)O CS-D1794 [0,0,0,0,0,1|1,0,1]=3 232 B8R0.28 CN(C)C\C=C\C(=O)O CS-M0298 [0,0,0,0,0,1|1,0,1]=3 233 B8R0.28 N=C(N)NCCC(=O)O CS-W016544 [0,0,0,0,0,1|2,0,1]=4 234 B8R0.28 N=C(N)SCCC(=O)O CS-W018186 [0,0,0,0,0,1|2,0,1]=4 235 B8R0.28 NC(=O)COCC(=O)O CS-0318293 [0,0,0,0,0,1|2,0,1]=4 236 B8R0.28 NC(=O)NCCC(=O)O CS-0059512 [0,0,0,0,0,1|2,0,1]=4 237 B8R0.28 O=C(O)CCCC(=O)O CS-W009536 [0,0,0,0,0,1|2,0,1]=4 238 B8R0.28 O=C(O)CNCC(=O)O CS-W013399 [0,0,0,0,0,1|2,0,1]=4 239 B8R0.28 O=C(O)COCC(=O)O CS-0158474 [0,0,0,0,0,1|2,0,1]=4 240 B8R0.28 O=C(O)CSCC(=O)O CS-W013299 [0,0,0,0,0,1|2,0,1]=4 241 B8R0.28 O=C(O)\C=C\CC(=O)O CS-0106651 [0,0,0,0,0,1|2,0,0]=3 242 B5R0.1 C#CCC(=O)O CS-W004784 [2,0,0,0,0,0|0,0,2]=4 243 B5R0.1 C=CCC(=O)O CS-0069849 [2,0,0,0,0,0|0,0,0]=2 244 B5R0.1 C=CC[C@H](C)O CS-0081915 [2,0,0,0,0,0|1,0,1]=4 245 B5R0.1 CC#CC(=O)O CS-W007936 [2,0,0,0,0,0|0,0,2]=4 246 B5R0.1 CC(=O)NCO CS-0061075 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.1 CC(C)=CCCl CS-0204351 [2,0,0,0,0,0|1,0,0]=3 248 B5R0.1 CC(C)=CCN CS-0236946 [2,0,0,0,0,0|1,0,0]=3 249 B5R0.1 CC(C)=CCO CS-W013751 [2,0,0,0,0,0|0,0,0]=2 250 B5R0.1 CC(C)\C=N\O CS-W000111 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.1 CCCC(=O)O CS-0977378 [2,0,0,0,0,0|0,0,1]=3 252 B5R0.1 CCCC(N)=O CS-0130522 [2,0,0,0,0,0|1,0,1]=4 253 B5R0.1 CN(C)NC=O CS-M2144 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|1,0,0]=3 255 B5R0.1 CNCC(=O)O CS-W018511 [2,0,0,0,0,0|1,0,0]=3 256 B5R0.1 CNCC(N)=O CS-W011178 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|1,0,0]=3 258 B5R0.1 CSCC(=O)O CS-0015159 [2,0,0,0,0,0|1,0,0]=3 259 B5R0.1 CSCC(N)=O CS-0150088 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.1 C\C=C\B(O)O CS-0086306 [2,0,0,0,0,0|1,0,1]=4 261 B5R0.1 C\C=C\C(=O)O CS-0017976 [2,0,0,0,0,0|0,0,0]=2 262 B5R0.1 C\C=C\C(C)=O CS-0022376 [2,0,0,0,0,0|1,0,0]=3 263 B5R0.1 C\C=C\C(C)=O CS-0513711 [2,0,0,0,0,0|1,0,0]=3 264 B5R0.1 NCCC(=O)O CS-0668359 [2,0,0,0,0,0|1,0,1]=4 265 B5R0.1 NCCC(=O)O CS-W020126 [2,0,0,0,0,0|1,0,1]=4 266 B5R0.1 NOCC(=O)O CS-8158 [2,0,0,0,0,0|2,0,0]=4 267 B5R0.1 O=C(O)CCF CS-0038385 [2,0,0,0,0,0|1,0,1]=4 268 B5R0.1 O=C(O)CCI CS-0204563 [2,0,0,0,0,0|1,0,1]=4 269 B5R0.1 O=C(O)CCO CS-0147832 [2,0,0,0,0,0|1,0,1]=4 270 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [2,0,0,0,0,0|1,0,0]=3 271 B5R0.1 O=C(O)\C=C/I CS-0668652 [2,0,0,0,0,0|1,0,0]=3 272 B5R0.1 O=C(O)\C=C\Br CS-0063842 [2,0,0,0,0,0|1,0,0]=3 273 B5R0.1 O=C(O)\C=C\I CS-0092724 [2,0,0,0,0,0|1,0,0]=3 274 B5R0.2 CC\C=C\C=O CS-0173472 [2,0,0,0,0,0|0,0,2]=4 275 B5R0.2 C\C=C\CCO CS-0162245 [2,0,0,0,0,0|0,0,1]=3 276 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.2 CCC(C)CC(=O)O CS-W011229 [1,1,0,0,0,0|0,0,2]=4 278 B7R0.2 CCC(N)CC(=O)O CS-W021843 [1,1,0,0,0,0|0,0,2]=4 279 B7R0.2 CCN(C)CC(=O)O CS-0144155 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [1,1,0,0,0,0|0,0,2]=4 281 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [1,1,0,0,0,0|1,0,0]=3 282 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,1,0,0,0,0|1,0,0]=3 283 B7R0.2 COC(=O)CC(N)=O CS-W022821 [1,1,0,0,0,0|2,0,0]=4 284 B7R0.2 C\C(C=O)=C/N(C)C CS-M0504 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.3 C=CCCC(=O)OC CS-0187527 [1,1,0,0,0,0|0,0,2]=4 286 B7R0.3 C=C\C=C\C(=O)OC CS-0207613 [1,1,0,0,0,0|0,0,2]=4 287 B7R0.3 C=C\C=C\C(=O)OC CS-0626198 [1,1,0,0,0,0|0,0,2]=4 288 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [1,1,0,0,0,0|0,0,2]=4 289 B7R0.3 CNCCC(=O)OC CS-0150994 [1,1,0,0,0,0|1,0,1]=4 290 B7R0.3 COC(=O)CCSC CS-0128902 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.3 COC(=O)CNC=O CS-0187476 [1,1,0,0,0,0|2,0,0]=4 292 B7R0.3 COCCC(=O)OC CS-0072438 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.4 C=CCCCC(=O)O CS-0113496 [1,1,0,0,0,0|0,0,2]=4 296 B7R0.4 CCCNCC(=O)O CS-0250530 [1,1,0,0,0,0|0,0,2]=4 297 B7R0.4 CCCOCC(=O)O CS-0152048 [1,1,0,0,0,0|0,0,2]=4 298 B7R0.4 CCCSCC(=O)O CS-0651549 [1,1,0,0,0,0|0,0,2]=4 299 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [1,1,0,0,0,0|0,0,2]=4 300 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,1,0,0,0,0|0,0,2]=4 301 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [1,1,0,0,0,0|0,0,0]=2 302 B7R0.4 CNCCCC(=O)O CS-0096860 [1,1,0,0,0,0|0,0,2]=4 303 B7R0.4 CNCCCC(=O)O CS-0133777 [1,1,0,0,0,0|0,0,2]=4 304 B7R0.4 COCCCC(=O)O CS-W001021 [1,1,0,0,0,0|0,0,2]=4 305 B7R0.4 COC\C=C\C(=O)O CS-0100437 [1,1,0,0,0,0|0,0,2]=4 306 B7R0.4 C\C=C\C=C\C(=O)O CS-0009618 [1,1,0,0,0,0|0,0,1]=3 307 B7R0.4 C\C=C\C=C\C(=O)[O-] CS-0102519 [1,1,0,0,0,0|0,0,2]=4 308 B7R0.4 C\C=C\C=C\C(=O)[O-] CS-0158288 [1,1,0,0,0,0|0,0,2]=4 309 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [1,1,0,0,0,0|0,0,0]=2 310 B7R0.4 NCCCCC(=O)O CS-0181832 [1,1,0,0,0,0|0,0,2]=4 311 B7R0.4 NCCCCC(=O)O CS-W016594 [1,1,0,0,0,0|0,0,2]=4 312 B7R0.4 NCCNCC(=O)O CS-W013599 [1,1,0,0,0,0|1,0,1]=4 313 B7R0.4 NCCOCC(=O)O CS-0115741 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.4 NCCOCC(=O)O CS-0115743 [1,1,0,0,0,0|1,0,1]=4 315 B7R0.4 NCCOCC(=O)O CS-0127947 [1,1,0,0,0,0|1,0,1]=4 316 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,1,0,0,0,0|0,0,2]=4 317 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,1,0,0,0,0|0,0,2]=4 318 B7R0.4 O=C(O)CNCCO CS-0158315 [1,1,0,0,0,0|1,0,1]=4 319 B7R0.4 O=C(O)COCCBr CS-0105329 [1,1,0,0,0,0|1,0,1]=4 320 B7R0.4 O=C(O)COCCCl CS-W006556 [1,1,0,0,0,0|1,0,1]=4 321 B7R0.4 O=C(O)COCCS CS-0115755 [1,1,0,0,0,0|1,0,1]=4 322 B7R0.4 O=C(O)COCCS CS-0115757 [1,1,0,0,0,0|1,0,1]=4 323 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [1,1,0,0,0,0|0,0,2]=4 324 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [1,1,0,0,0,0|0,0,2]=4 325 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [1,1,0,0,0,0|0,0,2]=4 326 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [1,1,0,0,0,0|0,0,2]=4 327 B7R0.5 CCCC(C)C(=O)O CS-W011232 [1,1,0,0,0,0|0,0,2]=4 328 B7R0.5 CCCC(N)C(=O)O CS-W011226 [1,1,0,0,0,0|0,0,2]=4 329 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [1,1,0,0,0,0|0,0,2]=4 330 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [1,1,0,0,0,0|0,0,2]=4 331 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [1,1,0,0,0,0|0,0,2]=4 332 B7R0.5 CC\C=C(/C)C(=O)O CS-0031404 [1,1,0,0,0,0|0,0,2]=4 333 B7R0.5 CC\C=C(/C)C(=O)O CS-W011249 [1,1,0,0,0,0|0,0,2]=4 334 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [1,1,0,0,0,0|1,0,1]=4 335 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [1,1,0,0,0,0|1,0,1]=4 336 B7R0.5 COCC(Br)C(=O)O CS-0197352 [1,1,0,0,0,0|1,0,1]=4 337 B7R0.5 COCC(N)C(=O)O CS-W013587 [1,1,0,0,0,0|1,0,1]=4 338 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [1,1,0,0,0,0|1,0,1]=4 341 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.5 CSCC(N)C(=O)O CS-0071070 [1,1,0,0,0,0|1,0,1]=4 343 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [1,1,0,0,0,0|1,0,1]=4 344 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [1,1,0,0,0,0|1,0,1]=4 345 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [1,1,0,0,0,0|0,0,2]=4 347 B7R0.9 CC(C)(N)CC(=O)O CS-W003906 [0,1,0,0,1,0|0,0,1]=3 348 B7R0.9 CC(C)(N)CC(=O)O CS-W004865 [0,1,0,0,1,0|0,0,1]=3 349 B7R0.9 CC(C)(N)CC(N)=O CS-0181808 [0,1,0,0,1,0|1,0,1]=4 350 B7R0.9 CC(C)(O)CC(=O)O CS-0059394 [0,1,0,0,1,0|0,0,1]=3 351 B7R0.9 CC(C)(O)CC(=O)[O-] CS-0187335 [0,1,0,0,1,0|0,0,2]=4 352 B7R0.9 CS(=O)(=O)CC(=O)O CS-W004723 [0,1,0,0,1,0|2,0,0]=4 353 B7R0.9 C[N+](C)(C)CC(=O)[O-] CS-2947 [0,1,0,0,1,0|1,0,1]=4 354 B7R0.9 C[N+](C)(C)CC(=O)[O-] CS-W011064 [0,1,0,0,1,0|1,0,1]=4 355 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [0,1,0,0,1,0|2,0,0]=4 356 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,1,0,0,1,0|2,0,0]=4 357 B7R0.16 CC(C(=O)O)C(=O)O CS-0027817 [0,1,0,0,1,0|2,0,0]=4 358 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,1,0,0,1,0|0,0,1]=3 359 B7R0.16 CC(C)C(Br)C(=O)O CS-0498321 [0,1,0,0,1,0|0,0,1]=3 360 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [0,1,0,0,1,0|0,0,1]=3 361 B7R0.16 CC(C)C(Cl)C(=O)O CS-0343571 [0,1,0,0,1,0|0,0,1]=3 362 B7R0.16 CC(C)C(N)C(=O)O CS-W013605 [0,1,0,0,1,0|0,0,1]=3 363 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [0,1,0,0,1,0|0,0,1]=3 364 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,1,0,0,1,0|0,0,1]=3 365 B7R0.16 CC(C)[C@@H](N)C(=O)O CS-0010218 [0,1,0,0,1,0|0,0,1]=3 366 B7R0.16 CC(C)[C@@H](N)C(N)=O CS-W002589 [0,1,0,0,1,0|1,0,1]=4 367 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,1,0,0,1,0|0,0,1]=3 368 B7R0.16 CC(C)[C@H](Cl)C(=O)O CS-0198767 [0,1,0,0,1,0|0,0,1]=3 369 B7R0.16 CC(C)[C@H](N)C(=O)O CS-W020706 [0,1,0,0,1,0|0,0,1]=3 370 B7R0.16 CC(C)[C@H](N)C(N)=O CS-W008135 [0,1,0,0,1,0|1,0,1]=4 371 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,1,0,0,1,0|0,0,1]=3 372 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,1,0,0,1,0|1,0,1]=4 373 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [0,1,0,0,1,0|1,0,0]=3 374 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [0,1,0,0,1,0|1,0,1]=4 375 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [0,1,0,0,1,0|1,0,1]=4 376 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [0,1,0,0,1,0|1,0,0]=3 377 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [0,1,0,0,1,0|1,0,1]=4 378 B7R0.16 O=C(O)C(O)C(=O)O CS-W013581 [0,1,0,0,1,0|2,0,0]=4 379 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [0,1,0,0,1,0|1,0,1]=4 380 B9R0.1 C=CC(=C)CCC=C(C)C CS-0009809 [0,1,0,0,0,1|2,0,0]=4 381 B9R0.1 C=C\C(C)=C\CC=C(C)C CS-0064406 [0,1,0,0,0,1|2,0,0]=4 382 B9R0.1 COC(=O)CCCC(=O)O CS-W018239 [0,1,0,0,0,1|1,0,1]=4 383 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,0,0,0,1|1,0,1]=4 384 B9R0.7 C=C(C)C(=O)NCC(=O)O CS-0158074 [0,1,0,0,0,1|0,0,1]=3 385 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-0102562 [0,1,0,0,0,1|1,0,1]=4 386 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-6301 [0,1,0,0,0,1|1,0,1]=4 387 B9R0.7 CC(C)C(=O)NCC(=O)O CS-0201719 [0,1,0,0,0,1|0,0,1]=3 388 B9R0.7 CC(C)CC[C@@H](N)C(=O)O CS-0154245 [0,1,0,0,0,1|0,0,2]=4 389 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0498852 [0,1,0,0,0,1|0,0,2]=4 390 B9R0.7 CC(Cl)C(=O)NCC(=O)O CS-0161354 [0,1,0,0,0,1|1,0,1]=4 391 B9R0.7 CC(S)C(=O)NCC(=O)O CS-2431 [0,1,0,0,0,1|1,0,1]=4 392 B9R0.7 CN(C)C(=O)CCC(=O)O CS-0205917 [0,1,0,0,0,1|1,0,0]=3 393 B9R0.7 CN(C)C(=O)NCC(=O)O CS-0325340 [0,1,0,0,0,1|1,0,0]=3 394 B9R0.7 CN(C)C(=S)SCC(=O)O CS-0151337 [0,1,0,0,0,1|1,0,0]=3 395 B9R0.7 C[C@H](N)C(=O)NCC(=O)O CS-W010993 [0,1,0,0,0,1|1,0,1]=4 396 B9R0.7 C[S+](C)CCC(N)C(=O)O CS-0083177 [0,1,0,0,0,1|1,0,1]=4 397 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-W014352 [0,1,0,0,0,1|2,0,0]=4 398 B9R0.7 O=C(O)CCC(F)=C(F)F CS-0205879 [0,1,0,0,0,1|2,0,0]=4 399 B9R0.7 O=C(O)CNC(=O)C(=O)O CS-0011055 [0,1,0,0,0,1|2,0,0]=4 400 B9R0.53 CC(=O)CC(=O)CC(C)C CS-0095754 [0,1,0,0,0,1|1,0,1]=4 401 B9R0.53 CC(=O)CC(=O)OC(C)C CS-0179766 [0,1,0,0,0,1|1,0,1]=4 402 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,1,0,0,0,1|0,0,2]=4 403 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,1,0,0,0,1|0,0,2]=4 404 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,1,0,0,0,1|0,0,2]=4 405 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,1,0,0,0,1|0,0,2]=4 406 B9R0.53 C\C(=C/C(=O)O)CC(=O)O CS-0201144 [0,1,0,0,0,1|2,0,0]=4 407 B9R0.53 O=C(O)CC(=O)CC(=O)O CS-W007752 [0,1,0,0,0,1|2,0,0]=4 408 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CS-W017140 [0,2,0,0,0,0|0,0,2]=4 409 B9R0.23 CN(CC(=O)O)C(=O)CN CS-W010992 [0,2,0,0,0,0|2,0,0]=4 410 B9R0.23 COC(=O)C(=O)CC(C)=O CS-W009533 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.23 COC(=O)C(Br)CC(C)C CS-0465894 [0,2,0,0,0,0|0,0,2]=4 412 B9R0.23 COC(=O)C(C)NC(C)=O CS-0154002 [0,2,0,0,0,0|2,0,0]=4 413 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [0,2,0,0,0,0|1,0,1]=4 414 B9R0.23 COC(=O)C(N)CC(C)C CS-0213107 [0,2,0,0,0,0|0,0,2]=4 415 B9R0.23 COC(=O)C(O)CC(C)C CS-0033017 [0,2,0,0,0,0|0,0,2]=4 416 B9R0.23 COC(=O)[C@@H](C)NC(C)=O CS-0158251 [0,2,0,0,0,0|2,0,0]=4 417 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CS-W018215 [0,2,0,0,0,0|1,0,1]=4 418 B9R0.23 COC(=O)[C@H](C)NC(C)=O CS-0158183 [0,2,0,0,0,0|2,0,0]=4 419 B9R0.23 COC(=O)[C@H](N)CC(=O)O CS-0128336 [0,2,0,0,0,0|1,0,1]=4 420 B9R0.23 COC(=O)[C@H](N)CC(C)C CS-W017141 [0,2,0,0,0,0|0,0,2]=4 421 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC CS-W017143 [0,2,0,0,0,0|0,0,2]=4 422 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,2,0,0,0,0|1,0,1]=4 423 B9R0.24 COC(=O)CCC(=O)CN CS-W009212 [0,2,0,0,0,0|1,0,1]=4 424 B9R0.24 COC(=O)CCC(=O)OC CS-0015787 [0,2,0,0,0,0|1,0,1]=4 425 B9R0.24 COC(=O)CNC(=O)CN CS-0150654 [0,2,0,0,0,0|2,0,0]=4 426 B9R0.24 COC(=O)\C=C\C(=O)OC CS-0909 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.42 C=C(CC(=O)OC)C(=O)O CS-0145620 [0,2,0,0,0,0|2,0,0]=4 428 B9R0.42 CNC(=O)CC(N)C(=O)O CS-0151055 [0,2,0,0,0,0|1,0,1]=4 429 B9R0.42 CNC(=O)C[C@H](N)C(=O)O CS-0151060 [0,2,0,0,0,0|1,0,1]=4 430 B9R0.42 COC(=O)CC(=O)C(=O)O CS-0187025 [0,2,0,0,0,0|2,0,0]=4 431 B9R0.42 COC(=O)CC(=O)C(C)Br CS-0008962 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.42 COC(=O)CC(=O)C(C)C CS-0015396 [0,2,0,0,0,0|0,0,1]=3 433 B9R0.42 COC(=O)CC(N)C(=O)O CS-0079863 [0,2,0,0,0,0|1,0,1]=4 434 B9R0.42 COC(=O)C[C@@H](C)C(=O)O CS-0186135 [0,2,0,0,0,0|1,0,1]=4 435 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0135221 [0,2,0,0,0,0|1,0,1]=4 436 B9R0.42 COC(=O)C[C@@H](N)C(C)C CS-0171929 [0,2,0,0,0,0|0,0,2]=4 437 B9R0.42 COC(=O)C[C@H](C)C(=O)O CS-0309762 [0,2,0,0,0,0|1,0,1]=4 438 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0019407 [0,2,0,0,0,0|1,0,1]=4 439 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0131131 [0,2,0,0,0,0|1,0,1]=4 440 B9R0.42 COC(=O)C[C@H](N)C(C)C CS-0171932 [0,2,0,0,0,0|0,0,2]=4 441 B9R0.42 C[C@H](NC(=O)CN)C(=O)O CS-0201701 [0,2,0,0,0,0|2,0,0]=4 442 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|0,0,2]=4 443 B9R0.48 CC(C)=CCN(C)CCO CS-0203199 [0,2,0,0,0,0|2,0,0]=4 444 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [0,2,0,0,0,0|1,0,1]=4 445 B9R0.48 CCOC(=O)CCC(C)=O CS-0204023 [0,2,0,0,0,0|1,0,1]=4 446 B9R0.48 CCOC(=O)CCC(C)C CS-0151589 [0,2,0,0,0,0|0,0,2]=4 447 B9R0.48 CCOC(=O)CCN(C)C CS-0124937 [0,2,0,0,0,0|1,0,1]=4 448 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,2,0,0,0,0|2,0,0]=4 449 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,2,0,0,0,0|2,0,0]=4 450 B9R0.48 CCOC(=O)\C=C\C(=O)O CS-0030808 [0,2,0,0,0,0|1,0,1]=4 451 B9R0.48 CCOC(=O)\C=C\N(C)C CS-0028335 [0,2,0,0,0,0|1,0,1]=4 452 B9R0.48 CCOC(=O)\C=C\N(C)C CS-W008982 [0,2,0,0,0,0|1,0,1]=4 453 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O CS-0145791 [0,2,0,0,0,0|0,0,2]=4 454 B9R0.39 CC(=O)NC(CO)C(=O)O CS-0201876 [0,2,0,0,0,0|2,0,0]=4 455 B9R0.39 CC(=O)NC(CS)C(=O)O CS-0071230 [0,2,0,0,0,0|2,0,0]=4 456 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CS-0167102 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CS-2160 [0,2,0,0,0,0|2,0,0]=4 458 B9R0.39 CC(=O)N[C@H](CS)C(=O)O CS-0128949 [0,2,0,0,0,0|2,0,0]=4 459 B9R0.39 CC(C)C[C@@H](CN)C(=O)O CS-0196969 [0,2,0,0,0,0|0,0,2]=4 460 B9R0.39 CC(C)C[C@H](CN)C(=O)O CS-0061018 [0,2,0,0,0,0|0,0,2]=4 461 B9R0.39 CC(C)C[C@H](CN)C(=O)O CS-0095469 [0,2,0,0,0,0|0,0,2]=4 462 B9R0.39 CC(C)\C=C(/C#N)C(=O)O CS-0161344 [0,2,0,0,0,0|0,0,2]=4 463 B9R0.39 CCC(NC(C)=O)C(=O)O CS-0120033 [0,2,0,0,0,0|2,0,0]=4 464 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O CS-0153928 [0,2,0,0,0,0|2,0,0]=4 465 B9R0.39 CNC(CC(C)C)C(=O)O CS-0154250 [0,2,0,0,0,0|0,0,2]=4 466 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CS-0186185 [0,2,0,0,0,0|0,0,2]=4 467 B9R0.39 CN[C@H](CC(C)C)C(=O)O CS-0572808 [0,2,0,0,0,0|0,0,2]=4 468 B9R0.39 [C@@H](CC(C)C)(NC)C(=O)O CS-W008140 [0,2,0,0,0,0|0,0,2]=4 469 B9R0.57 CC(C)(C)CC(N)C(=O)O CS-0171694 [0,2,0,0,0,0|0,0,2]=4 470 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O CS-0011700 [0,2,0,0,0,0|0,0,2]=4 471 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O CS-D0232 [0,2,0,0,0,0|0,0,2]=4 472 B9R0.79 CC(=O)C(Cl)C(=O)N(C)C CS-0238935 [0,2,0,0,0,0|2,0,0]=4 473 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [1,0,0,1,0,0|0,0,2]=4 474 B7R1.2 CC1=CNC(=O)N1 CS-0188032 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.2 CC1=NN=C(O)C1 CS-W013724 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.2 CC1=NNC(=O)O1 CS-W019158 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [1,0,0,1,0,0|2,0,0]=4 478 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [1,0,0,1,0,0|0,0,2]=4 479 B7R1.2 CC1CCC(=O)O1 CS-W016654 [1,0,0,1,0,0|0,0,2]=4 480 B7R1.2 CN1CCC(=O)C1 CS-0172438 [1,0,0,1,0,0|1,0,1]=4 481 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [1,0,0,1,0,0|1,0,1]=4 482 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4 483 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [1,0,0,1,0,0|1,0,1]=4 484 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [1,0,0,1,0,0|2,0,0]=4 486 B7R1.2 O=C1COC(=O)C1 CS-W016655 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.3 CC1=CCCNC1 CS-0050445 [1,0,0,1,0,0|1,0,1]=4 488 B7R1.3 CC1=CCNCC1 CS-W004399 [1,0,0,1,0,0|2,0,0]=4 489 B7R1.3 O=C1C=CC=CO1 CS-W013734 [1,0,0,1,0,0|0,0,2]=4 490 B7R1.3 O=C1CCCCO1 CS-W013713 [1,0,0,1,0,0|0,0,2]=4 491 B7R1.3 O=C1CNCCO1 CS-0098127 [1,0,0,1,0,0|1,0,1]=4 492 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|1,0,1]=4 493 B7R1.3 OC1CC=CCC1 CS-0161778 [1,0,0,1,0,0|1,0,1]=4 494 B7R1.12 CC1CC1C(=O)O CS-0072900 [1,0,0,1,0,0|0,0,2]=4 495 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [1,0,0,1,0,0|0,0,2]=4 496 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [1,0,0,1,0,0|0,0,2]=4 497 B7R1.18 O=C(O)C1=CCC1 CS-0155456 [1,0,0,1,0,0|0,0,2]=4 498 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,1,0,0|0,0,2]=4 499 B7R1.18 O=C(O)C1CCN1 CS-M0178 [1,0,0,1,0,0|1,0,1]=4 500 B7R1.18 O=C(O)C1CCO1 CS-W006382 [1,0,0,1,0,0|1,0,1]=4 501 B7R1.18 O=C(O)C1CNC1 CS-0067915 [1,0,0,1,0,0|1,0,1]=4 502 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,1,0,0|1,0,1]=4 503 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [1,0,0,1,0,0|1,0,1]=4 504 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [1,0,0,1,0,0|1,0,1]=4 505 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [1,0,0,1,0,0|1,0,1]=4 506 B7R1.20 O=C(O)CC1CC1 CS-W011326 [1,0,0,1,0,0|0,0,2]=4 507 B9R1.35 CC1=CC(C(=O)O)=CN1 CS-0018766 [0,0,0,1,0,1|0,0,2]=4 508 B9R1.35 CC1=CC(C(=O)O)=CS1 CS-0054889 [0,0,0,1,0,1|0,0,2]=4 509 B9R1.35 CC1=CC=C(C(=O)O)N1 CS-W022410 [0,0,0,1,0,1|1,0,1]=4 510 B9R1.35 CC1=CC=C(C(=O)O)O1 CS-W002363 [0,0,0,1,0,1|1,0,1]=4 511 B9R1.35 CC1=CC=C(C(=O)O)S1 CS-W004720 [0,0,0,1,0,1|1,0,1]=4 512 B9R1.35 CC1=CN=C(C(=O)O)N1 CS-W019454 [0,0,0,1,0,1|1,0,1]=4 513 B9R1.35 CC1=CN=C(C(=O)O)S1 CS-0030600 [0,0,0,1,0,1|1,0,1]=4 514 B9R1.35 CC1=CNC(C(=O)O)=C1 CS-0139576 [0,0,0,1,0,1|0,0,2]=4 515 B9R1.35 CC1=CSC(C(=O)O)=C1 CS-0036630 [0,0,0,1,0,1|0,0,2]=4 516 B9R1.35 CC1=CSC(C(=O)O)=N1 CS-W008124 [0,0,0,1,0,1|1,0,1]=4 517 B9R1.35 CC1=NC(C(=O)O)=CN1 CS-W023071 [0,0,0,1,0,1|1,0,1]=4 518 B9R1.35 CC1=NC(C(=O)O)=CO1 CS-0061380 [0,0,0,1,0,1|1,0,1]=4 519 B9R1.35 CC1=NC(C(=O)O)=CS1 CS-0037835 [0,0,0,1,0,1|1,0,1]=4 520 B9R1.35 CC1=NC=C(C(=O)O)O1 CS-W006682 [0,0,0,1,0,1|1,0,1]=4 521 B9R1.35 CC1=NC=C(C(=O)O)S1 CS-W002825 [0,0,0,1,0,1|1,0,1]=4 522 B9R1.35 CN1CCC(C(=O)O)C1 CS-0005397 [0,0,0,1,0,1|1,0,1]=4 523 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 CS-0101206 [0,0,0,1,0,1|1,0,1]=4 524 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 CS-0157300 [0,0,0,1,0,1|1,0,1]=4 525 B9R1.35 O=C1CC(C(=O)O)CN1 CS-0050412 [0,0,0,1,0,1|1,0,1]=4 526 B9R1.35 O=C1CCC(C(=O)O)C1 CS-W001693 [0,0,0,1,0,1|1,0,1]=4 527 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0271190 [0,0,0,1,0,1|1,0,1]=4 528 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0476427 [0,0,0,1,0,1|1,0,1]=4 529 B9R1.35 O=C1C[C@H](C(=O)O)CN1 CS-0053257 [0,0,0,1,0,1|1,0,1]=4 530 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)C1 CS-0044068 [0,0,0,1,0,1|1,0,1]=4 531 B9R1.35 [C@H]1(C(=O)O)CCC(=O)C1 CS-0044069 [0,0,0,1,0,1|1,0,1]=4 532 B9R1.53 O=C(O)CC1CC(=O)C1 CS-0040780 [0,0,0,1,0,1|1,0,1]=4 533 B9R1.10 CC1(C)OCC(=O)CO1 CS-W006362 [0,1,0,1,0,0|1,0,1]=4 534 B9R1.80 COC(=O)\C=C\C1CC1 CS-0380678 [0,1,0,1,0,0|0,0,2]=4 535 B9R1.82 C=C1CC(C(=O)OC)C1 CS-0046881 [0,1,0,1,0,0|0,0,2]=4 536 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [0,1,0,1,0,0|1,0,1]=4 537 B9R1.84 O=C(O)CCC1CCC1 CS-0060765 [0,1,0,1,0,0|0,0,2]=4 538 B9R1.147 CC1(CCC(=O)O)CC1 CS-0240053 [0,1,0,1,0,0|0,0,2]=4 539 B9R1.38 CC1(C)OC(=O)NC1=O CS-0013093 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.112 NC(CC1CC1)C(=O)O CS-0043558 [0,1,0,1,0,0|0,0,2]=4 541 B9R1.112 N[C@H](CC1CC1)C(=O)O CS-W013449 [0,1,0,1,0,0|0,0,2]=4 542 B9R1.112 [C@H](N)(CC1CC1)C(=O)O CS-W008028 [0,1,0,1,0,0|0,0,2]=4 543 B9R1.137 CC(=O)CC(=O)C1CC1 CS-W006361 [0,1,0,1,0,0|1,0,1]=4 544 B9R1.137 NC(CC(=O)O)C1CC1 CS-0054269 [0,1,0,1,0,0|0,0,2]=4 545 B9R1.152 CC1(C(=O)O)CC(=O)C1 CS-0052446 [0,1,0,1,0,0|1,0,1]=4 546 B9R1.164 CC1(C)CC(C(=O)O)C1 CS-W021789 [0,1,0,1,0,0|0,0,2]=4 547 B9R1.164 CC1(O)CC(C(=O)O)C1 CS-0051341 [0,1,0,1,0,0|0,0,2]=4 548 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 CS-0058634 [0,1,0,1,0,0|0,0,2]=4 549 B9R2.145 O=C(O)C12CC(C1)C2 CS-0036907 [0,0,0,2,0,0|0,0,2]=4 550 B9R2.143 O=C(O)C1CC12CC2 CS-0048700 [0,0,0,2,0,0|0,0,2]=4 551 B5R0.5 C=C(C)C(=O)[O-] CS-W012887 [0,0,0,0,2,0|0,0,2]=4 552 B5R0.5 C=C(C)C(N)=O CS-0031911 [0,0,0,0,2,0|1,0,1]=4 553 B5R0.5 C=C(Cl)C(=O)O CS-0187884 [0,0,0,0,2,0|1,0,1]=4 554 B5R0.5 C=C(F)C(=O)O CS-W005285 [0,0,0,0,2,0|1,0,1]=4 555 B5R0.5 CC(=O)C(=O)O CS-W020190 [0,0,0,0,2,0|1,0,0]=3 556 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [0,0,0,0,2,0|1,0,1]=4 557 B5R0.5 CC(=O)N(C)C CS-W023195 [0,0,0,0,2,0|2,0,0]=4 558 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [0,0,0,0,2,0|1,0,0]=3 559 B5R0.5 CC(C)=C(C)Br CS-0188281 [0,0,0,0,2,0|2,0,0]=4 560 B5R0.5 CC(C)C(N)=O CS-W019979 [0,0,0,0,2,0|1,0,1]=4 561 B5R0.5 CC(F)C(=O)O CS-0180920 [0,0,0,0,2,0|1,0,1]=4 562 B5R0.5 CC(N)C(=O)O CS-0022544 [0,0,0,0,2,0|1,0,1]=4 563 B5R0.5 CC(O)C(=O)O CS-0013338 [0,0,0,0,2,0|1,0,1]=4 564 B5R0.5 CC(O)C(=O)O CS-0031116 [0,0,0,0,2,0|1,0,1]=4 565 B5R0.5 CC(O)C(=O)O CS-0310546 [0,0,0,0,2,0|1,0,1]=4 566 B5R0.5 CN(C)C(N)=O CS-0132397 [0,0,0,0,2,0|2,0,0]=4 567 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [0,0,0,0,2,0|1,0,1]=4 568 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [0,0,0,0,2,0|1,0,1]=4 569 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [0,0,0,0,2,0|1,0,1]=4 570 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [0,0,0,0,2,0|1,0,1]=4 571 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [0,0,0,0,2,0|1,0,1]=4 572 B5R0.5 NC(=O)C(=O)O CS-W013748 [0,0,0,0,2,0|2,0,0]=4 573 B5R0.5 O=C(O)C(=O)O CS-0013716 [0,0,0,0,2,0|2,0,0]=4 574 B5R0.5 O=C(O)C(=O)O CS-0017264 [0,0,0,0,2,0|2,0,0]=4 575 B5R0.5 O=C(O)C(=O)O CS-0882464 [0,0,0,0,2,0|2,0,0]=4 576 B5R0.5 O=C(O)C(=O)O CS-W004907 [0,0,0,0,2,0|2,0,0]=4 577 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [0,0,0,0,2,0|1,0,1]=4 578 B9R0.55 CC(=O)CCCCC(=O)O CS-W008210 [0,0,0,0,0,2|1,0,1]=4 579 B9R0.55 CC(C)CCCCC(=O)O CS-0154230 [0,0,0,0,0,2|0,0,2]=4 580 B9R0.55 CN(C)CCCCC(=O)O CS-0151284 [0,0,0,0,0,2|1,0,1]=4 581 B9R0.55 CN(C)CCCCC(=O)O CS-0151285 [0,0,0,0,0,2|1,0,1]=4 582 B9R0.55 O=C(O)C\C=C\CC(=O)O CS-0099509 [0,0,0,0,0,2|2,0,0]=4