0 B6R0.2 CC(=O)CC(N)=O CS-0134202 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)CN(C)C CS-0204530 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(=O)OC(C)Br CS-0135277 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CC(C)=CB(O)O CS-0046252 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.2 CC(C)=CC(=O)O CS-W011327 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.2 CC(C)CB(O)O CS-W000978 [0,0,0,0,0,0|1,0,3]=4 13 B6R0.2 CC(C)CC(=O)O CS-0881782 [0,0,0,0,0,0|0,0,2]=2 14 B6R0.2 CC(C)CC(=O)O CS-W013696 [0,0,0,0,0,0|0,0,2]=2 15 B6R0.2 CC(C)CC(N)=S CS-0642935 [0,0,0,0,0,0|1,1,2]=4 16 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [0,0,0,0,0,0|1,0,3]=4 17 B6R0.2 CC(C)NC(N)=O CS-0162822 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.2 CC(C)OC(=S)[S-] CS-0154170 [0,0,0,0,0,0|1,2,1]=4 19 B6R0.2 CC(C)OC(N)=O CS-0119929 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.2 CC(N)CC(=O)O CS-W009549 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.2 CC(O)CC(=O)O CS-0062335 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.2 CC(O)CC(N)=O CS-0435186 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.2 CN(C)CC(=O)O CS-D1391 [0,0,0,0,0,0|1,0,1]=2 24 B6R0.2 CN(C)CC(=O)O CS-W001158 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.2 CN(C)CC(N)=S CS-W021439 [0,0,0,0,0,0|2,1,1]=4 26 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [0,0,0,0,0,0|1,0,2]=3 29 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.2 C\C(O)=N\C(=N)N CS-W007823 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.2 N=C(N)CC(N)=O CS-W018503 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.2 N=C(N)NC(N)=O CS-0128792 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.2 NC(=O)CC(=O)O CS-0149950 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.2 NC(=O)CC(N)=O CS-W011312 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.2 NC(=O)NC(N)=O CS-W016643 [0,0,0,0,0,0|4,0,0]=4 38 B6R0.2 O=C(O)[Ca]C(=O)O CS-0160132 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,0,0,0,0,0|1,0,2]=3 40 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,0,0,0,0,0|1,0,2]=3 41 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [0,0,0,0,0,0|1,0,2]=3 42 B5R0.1 C#CCC(=O)O CS-W004784 [1,0,0,0,0,0|0,0,3]=4 43 B5R0.1 C=CCC(=O)O CS-0069849 [1,0,0,0,0,0|0,0,2]=3 44 B5R0.1 CC#CC(=O)O CS-W007936 [1,0,0,0,0,0|0,0,2]=3 45 B5R0.1 CC(=O)NCO CS-0061075 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 CC(C)=CCCl CS-0204351 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 CC(C)=CCN CS-0236946 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 CC(C)=CCO CS-W013751 [1,0,0,0,0,0|0,0,1]=2 49 B5R0.1 CC(C)\C=N\O CS-W000111 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 CCCC(=O)O CS-0977378 [1,0,0,0,0,0|0,0,2]=3 51 B5R0.1 CCCC(N)=O CS-0130522 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 CCNC(N)=O CS-W011351 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CCOC(N)=O CS-4731 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CN(C)NC=O CS-M2144 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CNCC(=O)O CS-W013507 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.1 CNCC(=O)O CS-W018511 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 CNCC(N)=O CS-W011178 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 CSCC(=O)O CS-0015159 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CSCC(N)=O CS-0150088 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 C\C(N)=C\C#N CS-0005803 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 C\C=C\B(O)O CS-0086306 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.1 C\C=C\C(=O)O CS-0017976 [1,0,0,0,0,0|0,0,0]=1 64 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.1 NCCC(=O)O CS-0668359 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.1 NCCC(=O)O CS-W020126 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 NOCC(=O)O CS-8158 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 O=C(O)CCF CS-0038385 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 O=C(O)CCI CS-0204563 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.1 O=C(O)CCO CS-0147832 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.1 O=C(O)\C=C/I CS-0668652 [1,0,0,0,0,0|1,0,0]=2 74 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.1 O=C(O)\C=C\I CS-0092724 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.2 C=CC(=O)NC(C)C CS-0891513 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.2 C=CC(=O)NC(C)C CS-W011259 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.2 CC(C)CC(=O)NN CS-0343165 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.2 CC(C)NC(=O)CCl CS-0128417 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.2 CC(C)OC(=O)CN CS-0154172 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.2 CC(O)CC(=O)O[Na] CS-W011168 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,1,0,0,0,0|0,0,2]=3 84 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.2 CCN(C)CC(=O)O CS-0144155 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,1,0,0,0,0|0,0,2]=3 87 B7R0.2 CN(C)CC(=O)NN CS-0199445 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.2 CN(C)CC(=O)NN CS-0206604 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.2 COC(=O)CC(C)N CS-0147336 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.2 C[C@@H](O)CC(=O)O[Na] CS-W016567 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.2 C\C(C=O)=C/N(C)C CS-M0504 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.2 NC(=O)NC(=O)CCl CS-0072160 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.9 CC(=O)O[Si](C)(C)C CS-W011087 [0,1,0,0,0,0|2,1,0]=4 106 B7R0.9 CC(C)(C)NC(N)=O CS-0329615 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.9 CC(C)(C)OC(N)=O CS-D1170 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.9 CC(C)(N)CC(=O)O CS-W003906 [0,1,0,0,0,0|0,0,2]=3 109 B7R0.9 CC(C)(N)CC(=O)O CS-W004865 [0,1,0,0,0,0|0,0,2]=3 110 B7R0.9 CC(C)(N)CC(N)=O CS-0181808 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.9 CC(C)(O)CC(=O)O CS-0059394 [0,1,0,0,0,0|0,0,2]=3 112 B7R0.9 CC(C)(O)CC(=O)[O-] CS-0187335 [0,1,0,0,0,0|0,0,3]=4 113 B7R0.9 CS(=O)(=O)CC(=O)O CS-W004723 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.9 C[N+](C)(C)CC(=O)[O-] CS-2947 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.9 C[N+](C)(C)CC(=O)[O-] CS-W011064 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.16 C=C(C)C(=O)N(C)C CS-W016612 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.16 CC(C(=O)O)C(=O)O CS-0027817 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,1,0,0,0,0|0,0,1]=2 121 B7R0.16 CC(C)C(Br)C(=O)O CS-0498321 [0,1,0,0,0,0|0,0,2]=3 122 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [0,1,0,0,0,0|0,0,2]=3 123 B7R0.16 CC(C)C(Cl)C(=O)O CS-0343571 [0,1,0,0,0,0|0,0,2]=3 124 B7R0.16 CC(C)C(N)C(=O)O CS-W013605 [0,1,0,0,0,0|0,0,2]=3 125 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [0,1,0,0,0,0|0,0,2]=3 126 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,1,0,0,0,0|0,0,2]=3 127 B7R0.16 CC(C)[C@@H](N)C(=O)O CS-0010218 [0,1,0,0,0,0|0,0,2]=3 128 B7R0.16 CC(C)[C@@H](N)C(N)=O CS-W002589 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,1,0,0,0,0|0,0,2]=3 130 B7R0.16 CC(C)[C@H](Cl)C(=O)O CS-0198767 [0,1,0,0,0,0|0,0,2]=3 131 B7R0.16 CC(C)[C@H](N)C(=O)O CS-W020706 [0,1,0,0,0,0|0,0,2]=3 132 B7R0.16 CC(C)[C@H](N)C(N)=O CS-W008135 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,1,0,0,0,0|0,0,2]=3 134 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.16 O=C(O)C(O)C(=O)O CS-W013581 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.16 O=C([O-])C(=O)C(=O)[O-] CS-0927001 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [0,1,0,0,0,0|1,0,2]=4 143 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,0,0,1,0,0|1,0,0]=2 144 B7R1.2 CC1=CC(=O)NN1 CS-W013725 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.2 CC1=CC(Br)=CS1 CS-W003194 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.2 CC1=CC(Br)=NN1 CS-W019617 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.2 CC1=CC(Br)=NO1 CS-W018569 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.2 CC1=CC(C)=NO1 CS-0005667 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.2 CC1=CC(N)=NN1 CS-D0822 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.2 CC1=CC(N)=NO1 CS-W022416 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.2 CC1=CNC(=O)N1 CS-0188032 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.2 CC1=CNC(C)=C1 CS-W011342 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 CC1=COC(N)=N1 CS-0053949 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.2 CC1=CSC(C)=C1 CS-0152847 [0,0,0,1,0,0|1,1,1]=4 156 B7R1.2 CC1=NC(O)=NN1 CS-0240285 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.2 CC1=NN=C(O)C1 CS-W013724 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.2 CC1=NNC(=O)O1 CS-W019158 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.2 CC1=NNC(Cl)=C1 CS-0050525 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.2 CC1=NOC(N)=C1 CS-M0240 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.2 CC1=NSC(Br)=C1 CS-0136608 [0,0,0,1,0,0|2,1,0]=4 163 B7R1.2 CC1=NSC(I)=C1 CS-0308922 [0,0,0,1,0,0|2,1,0]=4 164 B7R1.2 CC1=NSC(N)=C1 CS-M1245 [0,0,0,1,0,0|2,1,0]=4 165 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,0,0,1,0,0|1,0,2]=4 167 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,0,0,1,0,0|1,0,1]=3 168 B7R1.2 CN1C=C(O)C=N1 CS-0044173 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,0,0,1,0,0|1,0,1]=3 173 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,0,0,1,0,0|1,0,1]=3 174 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,0,0,1,0,0|1,0,2]=4 176 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,0,0,1,0,0|1,0,1]=3 177 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,0,0,1,0,0|1,0,1]=3 178 B7R1.2 NC1=CC(=O)NN1 CS-W005676 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.2 NC1=NC(=O)CO1 CS-0005538 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.2 NC1=NNC(O)=C1 CS-0166925 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.2 O=C1C=C(Cl)SN1 CS-B1826 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.2 O=C1C=C(O)CN1 CS-0311627 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,0,0,1,0,0|1,0,1]=3 192 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [0,0,0,1,0,0|2,1,0]=4 194 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,0,0,1,0,0|1,0,2]=4 197 B7R1.12 CC1CC1C(=O)O CS-0072900 [0,0,0,1,0,0|0,0,2]=3 198 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,0,0,1,0,0|0,0,2]=3 199 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,0,0,1,0,0|0,0,2]=3 200 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,0,0,1,0,0|1,0,2]=4 201 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,0,0,1,0,0|1,0,2]=4 202 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [0,0,0,1,0,0|1,0,2]=4 203 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [0,0,0,1,0,0|1,0,2]=4 204 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [0,0,0,1,0,0|1,0,2]=4 205 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [0,0,0,1,0,0|1,0,2]=4 206 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,0,0,1,0,0|1,0,2]=4 207 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [0,0,0,1,0,0|1,0,2]=4 208 B7R1.20 NC(=O)NC1CC1 CS-0073680 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.20 O=C(O)CC1CC1 CS-W011326 [0,0,0,1,0,0|0,0,2]=3 210 B5R0.5 C=C(C)B(O)O CS-0175097 [0,0,0,0,1,0|1,0,2]=4 211 B5R0.5 C=C(C)C(=O)[O-] CS-W012887 [0,0,0,0,1,0|0,0,2]=3 212 B5R0.5 C=C(C)C(N)=O CS-0031911 [0,0,0,0,1,0|1,0,1]=3 213 B5R0.5 C=C(Cl)C(=O)O CS-0187884 [0,0,0,0,1,0|1,0,1]=3 214 B5R0.5 C=C(F)C(=O)O CS-W005285 [0,0,0,0,1,0|1,0,1]=3 215 B5R0.5 CC(=O)C(=O)O CS-W020190 [0,0,0,0,1,0|1,0,0]=2 216 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [0,0,0,0,1,0|1,0,1]=3 217 B5R0.5 CC(=O)C(C)Br CS-0130132 [0,0,0,0,1,0|2,0,1]=4 218 B5R0.5 CC(=O)C(C)N CS-0105630 [0,0,0,0,1,0|2,0,1]=4 219 B5R0.5 CC(=O)N(C)C CS-W023195 [0,0,0,0,1,0|2,0,0]=3 220 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [0,0,0,0,1,0|1,0,0]=2 221 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [0,0,0,0,1,0|2,0,1]=4 222 B5R0.5 CC(Br)C(N)=O CS-0139914 [0,0,0,0,1,0|2,0,1]=4 223 B5R0.5 CC(C)=C(C)Br CS-0188281 [0,0,0,0,1,0|2,0,0]=3 224 B5R0.5 CC(C)B(O)O CS-W004088 [0,0,0,0,1,0|1,0,2]=4 225 B5R0.5 CC(C)C(=N)N CS-0120122 [0,0,0,0,1,0|2,0,1]=4 226 B5R0.5 CC(C)C(N)=O CS-W019979 [0,0,0,0,1,0|1,0,1]=3 227 B5R0.5 CC(F)C(=O)O CS-0180920 [0,0,0,0,1,0|1,0,1]=3 228 B5R0.5 CC(N)C(=O)O CS-0022544 [0,0,0,0,1,0|1,0,1]=3 229 B5R0.5 CC(N)C(N)=O CS-0186552 [0,0,0,0,1,0|2,0,1]=4 230 B5R0.5 CC(O)C(=O)O CS-0013338 [0,0,0,0,1,0|1,0,1]=3 231 B5R0.5 CC(O)C(=O)O CS-0031116 [0,0,0,0,1,0|1,0,1]=3 232 B5R0.5 CC(O)C(=O)O CS-0310546 [0,0,0,0,1,0|1,0,1]=3 233 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [0,0,0,0,1,0|1,0,2]=4 234 B5R0.5 CC(O)C(N)=O CS-0068194 [0,0,0,0,1,0|2,0,1]=4 235 B5R0.5 CN(C)C(=N)N CS-0036167 [0,0,0,0,1,0|3,0,0]=4 236 B5R0.5 CN(C)C(=N)N CS-0151357 [0,0,0,0,1,0|3,0,0]=4 237 B5R0.5 CN(C)C(N)=O CS-0132397 [0,0,0,0,1,0|2,0,0]=3 238 B5R0.5 CN(C)C(N)=S CS-0231074 [0,0,0,0,1,0|2,1,0]=4 239 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [0,0,0,0,1,0|1,0,1]=3 240 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [0,0,0,0,1,0|2,0,1]=4 241 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [0,0,0,0,1,0|1,0,1]=3 242 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [0,0,0,0,1,0|2,0,1]=4 243 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [0,0,0,0,1,0|2,0,1]=4 244 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,0,0,0,1,0|2,0,1]=4 245 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [0,0,0,0,1,0|1,0,1]=3 246 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [0,0,0,0,1,0|2,0,1]=4 247 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [0,0,0,0,1,0|1,0,1]=3 248 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [0,0,0,0,1,0|2,0,1]=4 249 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [0,0,0,0,1,0|2,0,1]=4 250 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [0,0,0,0,1,0|2,0,1]=4 251 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [0,0,0,0,1,0|1,0,1]=3 252 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [0,0,0,0,1,0|2,0,1]=4 253 B5R0.5 N=C(N)S(=O)O CS-W016631 [0,0,0,0,1,0|3,0,0]=4 254 B5R0.5 NC(=O)C(=O)O CS-W013748 [0,0,0,0,1,0|2,0,0]=3 255 B5R0.5 NC(=O)C(N)=O CS-W016676 [0,0,0,0,1,0|3,0,0]=4 256 B5R0.5 NC(O)C(=O)O CS-0380752 [0,0,0,0,1,0|2,0,1]=4 257 B5R0.5 O=C(O)C(=O)O CS-0013716 [0,0,0,0,1,0|2,0,0]=3 258 B5R0.5 O=C(O)C(=O)O CS-0017264 [0,0,0,0,1,0|2,0,0]=3 259 B5R0.5 O=C(O)C(=O)O CS-0882464 [0,0,0,0,1,0|2,0,0]=3 260 B5R0.5 O=C(O)C(=O)O CS-W004907 [0,0,0,0,1,0|2,0,0]=3 261 B5R0.5 O=C(O)C(F)Cl CS-0204955 [0,0,0,0,1,0|2,0,1]=4 262 B5R0.5 O=C(O)[C@H](F)Cl CS-0434926 [0,0,0,0,1,0|2,0,1]=4 263 B5R0.5 O=C([O-])C(=O)[O-] CS-0199246 [0,0,0,0,1,0|2,0,1]=4 264 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [0,0,0,0,1,0|1,0,1]=3 265 B7R0.6 C(C(=O)O)=CC(=O)O CS-W016599 [0,0,0,0,0,1|2,0,0]=3 266 B7R0.6 C(C(C)=O)=CN(C)C CS-W016611 [0,0,0,0,0,1|2,0,0]=3 267 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [0,0,0,0,0,1|0,0,2]=3 268 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [0,0,0,0,0,1|1,0,2]=4 269 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [0,0,0,0,0,1|1,0,1]=3 270 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,0,0,0,0,1|2,0,1]=4 271 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [0,0,0,0,0,1|2,0,1]=4 272 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [0,0,0,0,0,1|1,0,1]=3 273 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [0,0,0,0,0,1|1,0,1]=3 274 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,0,0,0,0,1|1,0,1]=3 275 B7R0.6 CC(=O)\C=C\C(=O)O CS-0155153 [0,0,0,0,0,1|1,0,0]=2 276 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [0,0,0,0,0,1|1,0,1]=3 277 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [0,0,0,0,0,1|1,0,1]=3 278 B7R0.6 CC(C)CCC(=O)O CS-W016598 [0,0,0,0,0,1|0,0,2]=3 279 B7R0.6 CC(C)OCC(=O)O CS-0005425 [0,0,0,0,0,1|0,0,2]=3 280 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [0,0,0,0,0,1|0,0,1]=2 281 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [0,0,0,0,0,1|0,0,1]=2 282 B7R0.6 CC(N)CCC(=O)O CS-0276521 [0,0,0,0,0,1|1,0,2]=4 283 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,0,0,0,0,1|1,0,1]=3 284 B7R0.6 CN(C)\C=C\[N+](=O)[O-] CS-D1168 [0,0,0,0,0,1|2,0,1]=4 285 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [0,0,0,0,0,1|1,0,2]=4 286 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [0,0,0,0,0,1|1,0,1]=3 287 B7R0.6 N=C(N)NCC(=O)O CS-0040590 [0,0,0,0,0,1|2,0,1]=4 288 B7R0.6 NC(=O)NCC(=O)O CS-0204817 [0,0,0,0,0,1|2,0,1]=4 289 B7R0.6 NC(=O)\C=C\C(N)=O CS-0179365 [0,0,0,0,0,1|3,0,0]=4 290 B7R0.6 O=C(O)C#CC(=O)O CS-0020047 [0,0,0,0,0,1|2,0,1]=4 291 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [0,0,0,0,0,1|2,0,1]=4 292 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [0,0,0,0,0,1|2,0,1]=4 293 B7R0.6 O=C(O)\C=C\C(=O)O CS-0158509 [0,0,0,0,0,1|2,0,0]=3 294 B7R0.6 O=C([O-])\C=C\C(=O)[O-] CS-0013603 [0,0,0,0,0,1|2,0,1]=4 295 B4R0.1 C(=O)C(=O)O CS-0031458 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.1 C=CC(=O)O CS-0356466 [2,0,0,0,0,0|0,0,0]=2 297 B4R0.1 C=CC(=O)O CS-0356467 [2,0,0,0,0,0|0,0,0]=2 298 B4R0.1 C=CC(=O)O CS-0356469 [2,0,0,0,0,0|0,0,0]=2 299 B4R0.1 C=CC(=O)O CS-0356470 [2,0,0,0,0,0|0,0,0]=2 300 B4R0.1 C=CC(=O)O CS-0356471 [2,0,0,0,0,0|0,0,0]=2 301 B4R0.1 C=CC(C)N CS-0173225 [2,0,0,0,0,0|1,0,1]=4 302 B4R0.1 C=CC(N)=O CS-0255029 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.1 C=CC(N)=O CS-0255030 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.1 CC(=N)NO CS-W008635 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.1 CC(=O)C=O CS-0031856 [2,0,0,0,0,0|1,0,0]=3 306 B4R0.1 CC(=O)CO CS-0017823 [2,0,0,0,0,0|1,0,1]=4 307 B4R0.1 CC(=O)NO CS-4881 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.1 CC(C)=NO CS-W009556 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.1 CC(C)NO CS-W022923 [2,0,0,0,0,0|1,0,1]=4 310 B4R0.1 CCC(N)=O CS-W016688 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.1 CNC(C)=O CS-0031873 [2,0,0,0,0,0|2,0,0]=4 312 B4R0.1 CNC(N)=O CS-W016687 [2,0,0,0,0,0|2,0,0]=4 313 B4R0.1 COC(N)=O CS-0017839 [2,0,0,0,0,0|2,0,0]=4 314 B4R0.1 NCC(=O)O CS-0158475 [2,0,0,0,0,0|1,0,1]=4 315 B4R0.1 NCC(=O)O CS-0187433 [2,0,0,0,0,0|1,0,1]=4 316 B4R0.1 NCC(=O)O CS-B1641 [2,0,0,0,0,0|1,0,1]=4 317 B4R0.1 O=C(O)[Ba]O CS-0015804 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.1 O=CC(=O)O CS-W019807 [2,0,0,0,0,0|1,0,0]=3 319 B4R0.1 O=C[Pb](=O)O CS-B1715 [2,0,0,0,0,0|2,0,0]=4 320 B4R0.2 CCNC=O CS-0187584 [2,0,0,0,0,0|1,0,1]=4 321 B4R0.2 O=C[N-]C=O CS-0170804 [2,0,0,0,0,0|2,0,0]=4 322 B6R0.1 C=CCC(=O)OC CS-0158011 [1,1,0,0,0,0|0,0,2]=4 323 B6R0.1 CC#CC(=O)OC CS-0066219 [1,1,0,0,0,0|0,0,2]=4 324 B6R0.1 CCOC(=O)CO CS-W019892 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.1 CNCC(=O)O[Na] CS-0077129 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.1 COC(=O)\C=C/I CS-0150951 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.1 COC(=O)\C=C\I CS-0042162 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [1,1,0,0,0,0|0,0,0]=2 329 B6R0.3 C=C(CBr)C(=O)O CS-W017896 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.3 C=CC(=O)N(C)C CS-0016062 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.3 C=CC(C)C(=O)O CS-0006592 [1,1,0,0,0,0|0,0,2]=4 332 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [1,1,0,0,0,0|0,0,2]=4 333 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [1,1,0,0,0,0|0,0,2]=4 334 B6R0.3 CC(C)C(=N)NO CS-0008651 [1,1,0,0,0,0|1,0,1]=4 335 B6R0.3 CC(C)C(=N)NO CS-W011311 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.3 CCC(=O)C(=O)O CS-W007926 [1,1,0,0,0,0|0,0,1]=3 337 B6R0.3 CCC(=O)C(C)=O CS-W013714 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.3 CCC(N)C(=O)O CS-W011306 [1,1,0,0,0,0|0,0,2]=4 339 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [1,1,0,0,0,0|0,0,2]=4 340 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [1,1,0,0,0,0|0,0,2]=4 341 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [1,1,0,0,0,0|0,0,2]=4 342 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [1,1,0,0,0,0|0,0,2]=4 343 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [1,1,0,0,0,0|0,0,2]=4 344 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [1,1,0,0,0,0|0,0,2]=4 345 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [1,1,0,0,0,0|0,0,2]=4 346 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [1,1,0,0,0,0|0,0,2]=4 347 B6R0.3 CN(C)C(=O)CO CS-0077250 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.3 CNC(=O)C(=O)O CS-0113142 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.3 CNC(C)C(=O)O CS-W011307 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.3 COC(=O)C(C)=O CS-W013701 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.3 COC(C)C(=O)O CS-W004806 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [1,1,0,0,0,0|0,0,0]=2 355 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [1,1,0,0,0,0|0,0,0]=2 356 B6R0.3 O=C(O)C(=O)CBr CS-5517 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.3 O=C(O)C(=O)O[K] CS-0198035 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [1,1,0,0,0,0|0,0,2]=4 361 B6R0.4 C=CCCC(=O)O CS-W009138 [1,1,0,0,0,0|0,0,2]=4 362 B6R0.4 CC(C)=CCCBr CS-0155165 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.4 CCC#CC(=O)O CS-W013726 [1,1,0,0,0,0|0,0,2]=4 364 B6R0.4 CCNCC(=O)O CS-0201673 [1,1,0,0,0,0|0,0,2]=4 365 B6R0.4 CCOCC(=O)O CS-0071579 [1,1,0,0,0,0|0,0,2]=4 366 B6R0.4 CCSCC(=O)O CS-0197336 [1,1,0,0,0,0|0,0,2]=4 367 B6R0.4 CC\C=C\C(=O)O CS-0053528 [1,1,0,0,0,0|0,0,0]=2 368 B6R0.4 CN(C)\C=C\C#N CS-0376025 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.4 CN(C)\C=C\C=O CS-M0766 [1,1,0,0,0,0|1,0,0]=3 370 B6R0.4 CNCCC(=O)O CS-0112815 [1,1,0,0,0,0|0,0,2]=4 371 B6R0.4 CNCCC(=O)O CS-0169148 [1,1,0,0,0,0|0,0,2]=4 372 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|0,0,2]=4 373 B6R0.4 CO\C=C\C(=O)O CS-0201343 [1,1,0,0,0,0|0,0,0]=2 374 B6R0.4 CO\C=C\C(C)=O CS-0145411 [1,1,0,0,0,0|1,0,0]=3 375 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,1,0,0,0,0|1,0,0]=3 376 B6R0.4 CSCCC(=O)O CS-6296 [1,1,0,0,0,0|0,0,2]=4 377 B6R0.4 C\C=C\CC(=O)O CS-0129103 [1,1,0,0,0,0|0,0,0]=2 378 B6R0.4 NCCCC(=O)O CS-W020704 [1,1,0,0,0,0|0,0,2]=4 379 B6R0.4 O=C(O)C#CCO CS-0005249 [1,1,0,0,0,0|0,0,2]=4 380 B6R0.4 O=C(O)CCCBr CS-W016047 [1,1,0,0,0,0|0,0,2]=4 381 B6R0.4 O=C(O)CCCCl CS-W013545 [1,1,0,0,0,0|0,0,2]=4 382 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [1,1,0,0,0,0|0,0,0]=2 383 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [1,1,0,0,0,0|0,0,0]=2 384 B6R0.4 O=CNCC(=O)O CS-0102520 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.5 C[Si](C)(C)\C=C\I CS-0022088 [1,1,0,0,0,0|1,1,0]=4 386 B6R0.7 CC(=O)C(C)(C)Br CS-0197854 [0,1,0,0,1,0|1,0,1]=4 387 B6R0.7 CC(=O)C(C)(C)O CS-W016644 [0,1,0,0,1,0|1,0,1]=4 388 B6R0.7 CC(C)(Br)C(=O)Br CS-0008515 [0,1,0,0,1,0|1,0,1]=4 389 B6R0.7 CC(C)(Br)C(=O)O CS-W017850 [0,1,0,0,1,0|0,0,1]=3 390 B6R0.7 CC(C)(Br)C(N)=O CS-W004757 [0,1,0,0,1,0|1,0,1]=4 391 B6R0.7 CC(C)(C)C(=O)O CS-D1464 [0,1,0,0,1,0|0,0,1]=3 392 B6R0.7 CC(C)(C)C(=O)[O-] CS-0035148 [0,1,0,0,1,0|0,0,2]=4 393 B6R0.7 CC(C)(C)C(=O)[O-] CS-0198961 [0,1,0,0,1,0|0,0,2]=4 394 B6R0.7 CC(C)(F)C(=O)O CS-0022383 [0,1,0,0,1,0|0,0,1]=3 395 B6R0.7 CC(C)(N)C(=O)O CS-B0930 [0,1,0,0,1,0|0,0,1]=3 396 B6R0.7 CC(C)(N)C(N)=O CS-0205637 [0,1,0,0,1,0|1,0,1]=4 397 B6R0.7 CC(C)(O)C(=O)O CS-W016640 [0,1,0,0,1,0|0,0,1]=3 398 B6R0.7 CC(C)(O)C(N)=O CS-0154975 [0,1,0,0,1,0|1,0,1]=4 399 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [0,1,0,0,0,1|1,0,1]=4 400 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,1,0,0,0,1|1,0,1]=4 401 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [0,1,0,0,0,1|1,0,1]=4 402 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [0,1,0,0,0,1|1,0,1]=4 403 B8R0.9 COC(=O)CNC(C)C CS-0200417 [0,1,0,0,0,1|0,0,2]=4 404 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [0,1,0,0,0,1|1,0,1]=4 405 B8R0.9 COC(=O)\C=C/C(=O)O CS-0187530 [0,1,0,0,0,1|1,0,0]=3 406 B8R0.9 COC(=O)\C=C\C(=O)O CS-0026484 [0,1,0,0,0,1|1,0,0]=3 407 B8R0.9 COC(=O)\C=C\N(C)C CS-0680413 [0,1,0,0,0,1|1,0,0]=3 408 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [0,1,0,0,0,1|1,0,1]=4 409 B8R0.9 NCC(=O)NCC(=O)O CS-0015211 [0,1,0,0,0,1|1,0,1]=4 410 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [0,1,0,0,0,1|1,0,1]=4 411 B8R0.23 C=C(CC(=O)O)C(=O)O CS-0015302 [0,1,0,0,0,1|2,0,0]=4 412 B8R0.23 C=C(CC(C)C)C(C)=O CS-0132337 [0,1,0,0,0,1|1,0,1]=4 413 B8R0.23 C=C(CN(C)C)C(=O)O CS-0168545 [0,1,0,0,0,1|1,0,0]=3 414 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [0,1,0,0,0,1|1,0,1]=4 415 B8R0.23 CC(=O)N(C)CC(=O)O CS-0169319 [0,1,0,0,0,1|1,0,1]=4 416 B8R0.23 CC(=O)NC(C)C(=O)O CS-W011105 [0,1,0,0,0,1|1,0,1]=4 417 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CS-W004066 [0,1,0,0,0,1|1,0,1]=4 418 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,1,0,0,0,1|1,0,1]=4 419 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [0,1,0,0,0,1|1,0,1]=4 420 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [0,1,0,0,0,1|1,0,1]=4 421 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [0,1,0,0,0,1|0,0,2]=4 422 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [0,1,0,0,0,1|0,0,1]=3 423 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,1,0,0,0,1|0,0,2]=4 424 B8R0.23 CC(C)CC(N)C(=O)O CS-W020700 [0,1,0,0,0,1|0,0,2]=4 425 B8R0.23 CC(C)C[C@@H](N)C(=O)O CS-D1369 [0,1,0,0,0,1|0,0,2]=4 426 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,1,0,0,0,1|0,0,2]=4 427 B8R0.23 CC(C)C[C@H](N)C(=O)O CS-W020705 [0,1,0,0,0,1|0,0,2]=4 428 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [0,1,0,0,0,1|0,0,2]=4 429 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,1,0,0,0,1|0,0,2]=4 430 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [0,1,0,0,0,1|0,0,2]=4 431 B8R0.23 C\C(=C/C(=O)O)C(=O)O CS-0007669 [0,1,0,0,0,1|2,0,0]=4 432 B8R0.23 C\C(=C\C(=O)O)C(=O)O CS-0059543 [0,1,0,0,0,1|2,0,0]=4 433 B8R0.23 O=C(O)CC(=O)C(=O)O CS-W011098 [0,1,0,0,0,1|2,0,0]=4 434 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,1,0,0,0,1|0,0,2]=4 435 B8R0.29 CC(C)(C)C#CC(=O)O CS-0371341 [0,1,0,0,0,1|0,0,2]=4 436 B8R0.29 CC(C)(C)NCC(=O)O CS-W021463 [0,1,0,0,0,1|0,0,2]=4 437 B8R0.29 CC(C)(C)OCC(=O)O CS-W013413 [0,1,0,0,0,1|0,0,2]=4 438 B8R0.29 CC(C)(N)CCC(=O)O CS-0273048 [0,1,0,0,0,1|0,0,2]=4 439 B8R0.29 C[Si](C)(C)C#CC(=O)O CS-W018277 [0,1,0,0,0,1|0,1,1]=4 440 B8R0.29 C[Si](C)(C)CCC(=O)O CS-0698434 [0,1,0,0,0,1|0,1,1]=4 441 B8R0.2 CC(C)C(=O)C(=O)O[Na] CS-0128729 [0,2,0,0,0,0|0,0,1]=3 442 B8R0.2 CCC(C)C(N)C(=O)O CS-1225312 [0,2,0,0,0,0|0,0,2]=4 443 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CS-0011133 [0,2,0,0,0,0|0,0,2]=4 444 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CS-W009266 [0,2,0,0,0,0|0,0,2]=4 445 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W013422 [0,2,0,0,0,0|0,0,2]=4 446 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W018502 [0,2,0,0,0,0|0,0,2]=4 447 B8R0.2 COC(=O)C(C)C(=O)O CS-0072824 [0,2,0,0,0,0|1,0,1]=4 448 B8R0.2 COC(=O)C(C)C(C)=O CS-M0095 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.2 COC(=O)C(Cl)C(C)=O CS-W018135 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.2 COC(=O)C(N)C(C)C CS-W013235 [0,2,0,0,0,0|0,0,2]=4 451 B8R0.2 COC(=O)C(O)C(C)C CS-0254529 [0,2,0,0,0,0|0,0,2]=4 452 B8R0.2 COC(=O)[C@@H](O)C(C)C CS-0186193 [0,2,0,0,0,0|0,0,2]=4 453 B8R0.2 COC(=O)[C@H](N)C(C)C CS-0012693 [0,2,0,0,0,0|0,0,2]=4 454 B8R0.2 COC(=O)[C@H](O)C(C)C CS-0160105 [0,2,0,0,0,0|0,0,2]=4 455 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O CS-0043555 [0,2,0,0,0,0|0,0,2]=4 456 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC CS-W008464 [0,2,0,0,0,0|0,0,2]=4 457 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C CS-W010793 [0,2,0,0,0,0|0,0,2]=4 458 B8R0.5 CC(C)OC(=O)OCCl CS-W016293 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.5 CC(C)OC(=O)OCI CS-0070034 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,2,0,0,0,0|0,0,0]=2 461 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [0,2,0,0,0,0|1,0,1]=4 462 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.5 CCOC(=O)CN(C)C CS-W013421 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.5 CCOC(=O)C[S+](C)C CS-0167158 [0,2,0,0,0,0|1,0,1]=4 465 B8R0.5 CCOC(=O)\C=C(\C)I CS-0130425 [0,2,0,0,0,0|1,0,0]=3 466 B8R0.5 CCOC(=O)\C=C(\C)N CS-0031464 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [0,2,0,0,0,0|1,0,0]=3 468 B8R0.5 COCC(=O)OC(C)C CS-M1127 [0,2,0,0,0,0|1,0,1]=4 469 B8R0.16 CCN(CC)CC(=O)O CS-0044402 [0,2,0,0,0,0|1,0,1]=4 470 B8R0.16 COC(CC(=O)O)OC CS-0372688 [0,2,0,0,0,0|0,0,2]=4 471 B8R0.16 CSC(=C[N+](=O)[O-])SC CS-W017887 [0,2,0,0,0,0|1,0,1]=4 472 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [0,2,0,0,0,0|1,0,1]=4 473 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [0,2,0,0,0,0|0,0,2]=4 474 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,2,0,0,0,0|0,0,0]=2 475 B8R0.19 COC(=O)CC(=O)CCl CS-0044248 [0,2,0,0,0,0|1,0,1]=4 476 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.19 COC(=O)CC(=O)O[K] CS-M3561 [0,2,0,0,0,0|1,0,1]=4 478 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [0,2,0,0,0,0|1,0,1]=4 479 B8R0.24 CC(C)(C)OC(=O)CO CS-W003086 [0,2,0,0,0,0|1,0,1]=4 480 B8R0.24 CC(C)(C)OC(=O)NO CS-W001934 [0,2,0,0,0,0|1,0,1]=4 481 B8R0.24 COC(=O)CC(C)(C)N CS-0139287 [0,2,0,0,0,0|0,0,2]=4 482 B8R0.24 COC(=O)CC(C)(C)O CS-0187490 [0,2,0,0,0,0|0,0,2]=4 483 B8R0.27 CC(C)(C)C(=O)C(=O)O CS-W005305 [0,2,0,0,0,0|0,0,1]=3 484 B8R0.27 CC(C)(C)C(N)C(=O)O CS-W002302 [0,2,0,0,0,0|0,0,2]=4 485 B8R0.27 CC(C)(C)C(O)C(=O)O CS-0378432 [0,2,0,0,0,0|0,0,2]=4 486 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CS-W001954 [0,2,0,0,0,0|0,0,2]=4 487 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O CS-0436719 [0,2,0,0,0,0|0,0,2]=4 488 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CS-D0917 [0,2,0,0,0,0|0,0,2]=4 489 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O CS-0036468 [0,2,0,0,0,0|0,0,2]=4 490 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CS-W006998 [0,2,0,0,0,0|0,0,2]=4 491 B8R0.27 CC(C)(S)C(N)C(=O)O CS-W018173 [0,2,0,0,0,0|0,0,2]=4 492 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CS-2334 [0,2,0,0,0,0|0,0,2]=4 493 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CS-0063723 [0,2,0,0,0,0|0,0,2]=4 494 B8R0.18 CC(=O)C(=NO)C(C)=O CS-0215439 [0,2,0,0,0,0|2,0,0]=4 495 B8R0.18 CC(C)=C(C#N)C(=O)O CS-0313147 [0,2,0,0,0,0|0,0,0]=2 496 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0095544 [0,2,0,0,0,0|0,0,2]=4 497 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0143434 [0,2,0,0,0,0|0,0,2]=4 498 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0061014 [0,2,0,0,0,0|0,0,2]=4 499 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0143436 [0,2,0,0,0,0|0,0,2]=4 500 B8R0.18 CN[C@@H](C(=O)O)C(C)C CS-0010220 [0,2,0,0,0,0|0,0,2]=4 501 B8R0.18 CN[C@H](C(=O)O)C(C)C CS-0010219 [0,2,0,0,0,0|0,0,2]=4 502 B8R0.37 CC(C)C(C)(N)C(=O)O CS-0154330 [0,2,0,0,0,0|0,0,2]=4 503 B8R0.37 CC(C)[C@@](C)(N)C(=O)O CS-W011102 [0,2,0,0,0,0|0,0,2]=4 504 B8R0.37 CN(C)C(C)(C)C(=O)O CS-0166674 [0,2,0,0,0,0|1,0,1]=4 505 B6R1.2 BrC1=NOC=C1 CS-0039114 [1,0,0,1,0,0|2,0,0]=4 506 B6R1.2 CC1=CC=CN1 CS-W011360 [1,0,0,1,0,0|2,0,0]=4 507 B6R1.2 CC1=CC=CS1 CS-W011331 [1,0,0,1,0,0|2,0,0]=4 508 B6R1.2 CC1=CC=NO1 CS-0085310 [1,0,0,1,0,0|2,0,0]=4 509 B6R1.2 CC1=COC=N1 CS-0028372 [1,0,0,1,0,0|1,0,1]=4 510 B6R1.2 CC1=NNC=C1 CS-B0947 [1,0,0,1,0,0|2,0,0]=4 511 B6R1.2 CC1=NON=C1 CS-0063186 [1,0,0,1,0,0|2,0,0]=4 512 B6R1.2 NC1=CC=NO1 CS-W005361 [1,0,0,1,0,0|2,0,0]=4 513 B6R1.2 NC1=NOC=C1 CS-W007329 [1,0,0,1,0,0|2,0,0]=4 514 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,1,0,0|1,0,0]=3 515 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,1,0,0|0,0,0]=2 516 B6R1.2 O=C1C=CCS1 CS-0348812 [1,0,0,1,0,0|0,1,0]=3 517 B6R1.2 O=C1C=CNN1 CS-W004179 [1,0,0,1,0,0|2,0,0]=4 518 B6R1.2 O=C1C=CSN1 CS-0005502 [1,0,0,1,0,0|2,0,0]=4 519 B6R1.2 O=C1NCCO1 CS-W007548 [1,0,0,1,0,0|1,0,1]=4 520 B6R1.2 O=C1OC=CO1 CS-W013752 [1,0,0,1,0,0|1,0,1]=4 521 B6R1.2 OC1=NNC=C1 CS-0044191 [1,0,0,1,0,0|2,0,0]=4 522 B6R1.2 OC1=NOC=C1 CS-0047268 [1,0,0,1,0,0|2,0,0]=4 523 B6R1.2 OC1C=CCC1 CS-0451001 [1,0,0,1,0,0|1,0,1]=4 524 B6R1.3 O=CNC1CC1 CS-M1370 [1,0,0,1,0,0|1,0,1]=4 525 B6R1.5 CN1CC(=O)C1 CS-0052428 [1,0,0,1,0,0|1,0,1]=4 526 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|0,0,2]=4 527 B8R1.3 CC1=CN=C(O)C=C1 CS-0101601 [0,0,0,1,0,1|1,0,1]=4 528 B8R1.3 CC1=CNC(=O)C=C1 CS-W011282 [0,0,0,1,0,1|1,0,1]=4 529 B8R1.3 CC1=CNC(=O)C=N1 CS-W008795 [0,0,0,1,0,1|1,0,1]=4 530 B8R1.3 CC1=CNC(=O)N=C1 CS-0021071 [0,0,0,1,0,1|1,0,1]=4 531 B8R1.3 CC1=NC=C(O)C=C1 CS-W004681 [0,0,0,1,0,1|1,0,1]=4 532 B8R1.3 CC1=NC=C(O)C=N1 CS-W005972 [0,0,0,1,0,1|2,0,0]=4 533 B8R1.3 CC1=NNC(=O)C=C1 CS-W002182 [0,0,0,1,0,1|2,0,0]=4 534 B8R1.3 CC1=NNC(=O)CC1 CS-W011268 [0,0,0,1,0,1|2,0,0]=4 535 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,0,0,1,0,1|1,0,1]=4 536 B8R1.23 C=C1CC(C(=O)O)C1 CS-M1233 [0,0,0,1,0,1|0,0,2]=4 537 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [0,0,0,1,0,1|0,0,2]=4 538 B8R1.23 CN1CC(C(=O)O)C1 CS-W004004 [0,0,0,1,0,1|1,0,1]=4 539 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,0,0,1,0,1|1,0,1]=4 540 B8R1.23 O=C1CC(C(=O)O)N1 CS-W019929 [0,0,0,1,0,1|1,0,1]=4 541 B8R1.23 O=C1C[C@@H](C(=O)O)N1 CS-W013626 [0,0,0,1,0,1|1,0,1]=4 542 B8R1.35 O=C(O)C#CC1CC1 CS-0071182 [0,0,0,1,0,1|0,0,2]=4 543 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [0,0,0,1,0,1|0,0,2]=4 544 B8R1.35 O=C(O)\C=C\C1CC1 CS-B1741 [0,0,0,1,0,1|0,0,1]=3 545 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,0,0,1,0,1|0,0,2]=4 546 B8R1.51 CC1(C)CNC(=O)O1 CS-0139215 [0,0,0,1,0,1|0,0,2]=4 547 B8R1.77 CC1(C)CC1C(=O)O CS-W005115 [0,0,0,1,0,1|0,0,2]=4 548 B8R1.1 CC1=CC(C=O)=CS1 CS-0054199 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.1 CC1=CC(C=O)=NN1 CS-W005538 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.1 CC1=CC(C=O)=NO1 CS-0085287 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.1 CC1=CC(CCl)=NO1 CS-0037640 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.1 CC1=CC(CN)=NO1 CS-0036286 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.1 CC1=CC(CO)=NN1 CS-0037641 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.1 CC1=CSC(C=O)=C1 CS-0135491 [0,1,0,1,0,0|0,1,1]=4 555 B8R1.1 CC1=NOC(CCl)=C1 CS-0085295 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.1 CC1=NOC(CN)=C1 CS-0085262 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.1 CC1=NOC(CN)=C1 CS-W004628 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.1 CC1=NOC(CO)=C1 CS-0047000 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.1 CCC1=NOC(N)=C1 CS-0036176 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.1 CCC1COC(=O)N1 CS-0447690 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.1 CCC1COC(=O)O1 CS-0187002 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.1 COC1=CC(=O)CC1 CS-0040746 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.1 COC1=CC(=O)NC1 CS-W005299 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [0,1,0,1,0,0|0,0,2]=4 566 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [0,1,0,1,0,0|1,0,1]=4 569 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.1 O=CC1=CC(Br)=NO1 CS-W021887 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.4 CC1=CC(=O)NC=N1 CS-W001866 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.4 CC1=CC(=O)NN=C1 CS-W000548 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.4 CC1=CC(C)=O[AlH4]O1 CS-0106050 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.4 CC1=CC(C)=O[Ca]O1 CS-0106443 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.4 CC1=CC(C)=O[Co]O1 CS-0015107 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.4 CC1=CC(C)=O[Co]O1 CS-0130375 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.4 CC1=CC(C)=O[Cr]O1 CS-0106479 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.4 CC1=CC(C)=O[Fe]O1 CS-0111174 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.4 CC1=CC(C)=O[Ir]O1 CS-W020773 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.4 CC1=CC(C)=O[Mg]O1 CS-0106061 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.4 CC1=CC(C)=O[Mn]O1 CS-0106058 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.4 CC1=CC(C)=O[Mn]O1 CS-0106120 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.4 CC1=CC(C)=O[Pt]O1 CS-0085574 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.4 CC1=CC(C)=O[Rh]O1 CS-0081884 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.4 CC1=CC(C)=O[Ru]O1 CS-0035190 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.4 CC1=CC(C)=O[Zn]O1 CS-0111728 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.4 CC1=CC(C)=O[Zr]O1 CS-0085625 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.4 CC1=CC(O)=CN=C1 CS-W011284 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.4 CC1=CC(O)=NC=C1 CS-W017769 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.4 CC1=CC(O)=NC=N1 CS-0047569 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.4 CC1=NC=CC(O)=C1 CS-W018581 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,1,0,1,0,0|1,0,1]=4 596 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,1,0,1,0,0|1,0,1]=4 598 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.4 O=C1C=C(Cl)CCC1 CS-0180958 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.4 O=C1COCC(=O)O1 CS-0108764 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.18 CC1=C(C)NC(=O)N1 CS-0309054 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.18 CC1=C(C)OC(N)=N1 CS-0095994 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.18 CC1=CC(=O)C(C)O1 CS-W011269 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.18 CC1=CC(=O)NN1C CS-0217939 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.18 CC1=CC(=O)OC1=O CS-0007668 [0,1,0,1,0,0|0,0,1]=3 608 B8R1.18 CC1=CC(Br)=NN1C CS-W005278 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.18 CC1=CC(C)=NN1C CS-W013666 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.18 CC1=CC(Cl)=NN1C CS-0101169 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.18 CC1=CC(N)=NN1C CS-0037942 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.18 CC1=NC(C)=C(C)O1 CS-0153589 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.18 CC1=NN(C)C(O)=C1 CS-W019386 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.18 O=C1C=C(Br)C(=O)O1 CS-W021883 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.34 O=C(O)C=C1CCC1 CS-0045555 [0,1,0,1,0,0|0,0,0]=2 616 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [0,1,0,1,0,0|0,0,2]=4 617 B8R1.34 O=C(O)CC1COC1 CS-0045509 [0,1,0,1,0,0|0,0,2]=4 618 B8R1.42 CC1(CC(=O)O)CC1 CS-0029552 [0,1,0,1,0,0|0,0,2]=4 619 B8R1.50 CC1=C(Br)C(=O)NN1 CS-0137217 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.50 CC1=C(Br)C(O)=NO1 CS-0315332 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.50 CC1=C(C)C(=O)N=N1 CS-W011280 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.50 CC1=C(O)C(=O)CO1 CS-W013643 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.50 CC1=C(O)COC1=O CS-0085459 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.50 CC1=NOC(C)=C1Br CS-W017425 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.50 CC1=NOC(C)=C1I CS-W020086 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.50 CC1=NOC(C)=C1N CS-W008258 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.50 CC1=NOC(N)=C1Br CS-0437401 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.50 CC1=NOC(N)=C1C CS-0085283 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.50 CC1=NOC(N)=C1Cl CS-M0026 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.50 CN1CCC(=O)C1=O CS-0139148 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.50 O=C1COC(=O)C1Cl CS-0155475 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.50 O=C1OCC(O)=C1Br CS-0093761 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.54 N[C@@H](C(=O)O)C1CC1 CS-0054153 [0,1,0,1,0,0|0,0,2]=4 635 B8R1.54 N[C@H](C(=O)O)C1CC1 CS-W005759 [0,1,0,1,0,0|0,0,2]=4 636 B8R1.54 O=C(O)C(=O)C1CC1 CS-W006124 [0,1,0,1,0,0|0,0,1]=3 637 B8R1.54 O=C(O)C(O)C1CC1 CS-0142965 [0,1,0,1,0,0|0,0,2]=4 638 B8R0.28 C(C=C(C)C)=CC(C)=O CS-W013522 [0,0,0,0,0,2|1,0,0]=3 639 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,0,0,0,0,2|1,0,0]=3 640 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [0,0,0,0,0,2|1,0,1]=4 641 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,0,0,0,0,2|1,0,1]=4 642 B8R0.28 CC(=O)OCC=C(C)C CS-W011131 [0,0,0,0,0,2|1,0,0]=3 643 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [0,0,0,0,0,2|1,0,1]=4 644 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [0,0,0,0,0,2|1,0,1]=4 645 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [0,0,0,0,0,2|1,0,1]=4 646 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [0,0,0,0,0,2|0,0,2]=4 647 B8R0.28 CN(C)CC#CC(=O)O CS-0371338 [0,0,0,0,0,2|1,0,1]=4 648 B8R0.28 CN(C)CC#CC(=O)O CS-0564430 [0,0,0,0,0,2|1,0,1]=4 649 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [0,0,0,0,0,2|1,0,1]=4 650 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,0,0,0,0,2|1,0,1]=4 651 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [0,0,0,0,0,2|1,0,0]=3 652 B8R0.28 CN(C)C\C=C\C(=O)O CS-0132058 [0,0,0,0,0,2|1,0,0]=3 653 B8R0.28 CN(C)C\C=C\C(=O)O CS-D1794 [0,0,0,0,0,2|1,0,0]=3 654 B8R0.28 CN(C)C\C=C\C(=O)O CS-M0298 [0,0,0,0,0,2|1,0,0]=3 655 B8R0.28 O=C(O)\C=C\CC(=O)O CS-0106651 [0,0,0,0,0,2|2,0,0]=4