0 B7R0.6 C=C(C)CNC(N)=S CS-0257165 [0,0,0,0,0,0|3,1,0]=4 1 B7R0.6 C=C(C)COC(C)=O CS-0187450 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)CCC(=O)[O-] CS-0187336 [0,0,0,0,0,0|0,0,1]=1 3 B7R0.6 CC(=O)CCC(=O)[O-] CS-0526568 [0,0,0,0,0,0|0,0,1]=1 4 B7R0.6 CC(=O)NC=C(Cl)Cl CS-0252093 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=O)NCC(N)=O CS-0333417 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 CC(=O)NN=C(C)C CS-M2558 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 CC(=O)NNC(N)=O CS-0852123 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 CC(=O)ON=C(C)C CS-0548323 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 CC(C)=NNC(N)=O CS-W011237 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.6 CC(C)C#CC(=O)O CS-0240271 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.6 CC(C)CCC(=N)N CS-0695415 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CC(C)CNC(=N)O CS-W009543 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.6 CC(C)NCC(=O)O CS-0246606 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 CC(N)CCC(=O)O CS-0262263 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.6 CN(C)CCC(=O)O CS-0098123 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.6 CN(C)CCC(N)=O CS-0231943 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.6 CN(C)CCC(N)=S CS-0247301 [0,0,0,0,0,0|3,1,0]=4 18 B7R0.6 C[C@H](N)CCC(=O)O CS-0526945 [0,0,0,0,0,0|1,0,1]=2 19 B7R0.6 C[S+](C)CCC(=O)[O-] CS-0449826 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.6 N=C(N)SCC(=O)O CS-0327029 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.6 NC(=O)NNC(N)=O CS-0149929 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.6 NC(=O)\C=C/C(N)=O CS-0462052 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.6 O=C(O)CCC(=O)O CS-0504137 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.6 O=C(O)\C=C/C(=O)O CS-0511153 [0,0,0,0,0,0|1,0,2]=3 26 B7R0.6 O=C(O)\C=C/C(=O)O CS-0636152 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.6 O=C(O)\C=C/C(=O)O CS-0968758 [0,0,0,0,0,0|1,0,2]=3 28 B7R0.6 O=C([O-])CCC(=O)[O-] CS-0160311 [0,0,0,0,0,0|1,0,1]=2 29 B7R0.6 O=C([O-])\C=C\C(=O)O CS-0453897 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.4 C=CCCB(O)O CS-0175018 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 C=CCCC(C)Br CS-0253431 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 C=CCC[C@@H](C)O CS-0179239 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.4 C=CCC[C@H](C)O CS-0246373 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.4 C=C\C=C\C(=O)O CS-0199455 [1,0,0,0,0,0|0,0,3]=4 35 B6R0.4 CC(=O)CCCBr CS-0103669 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.4 CC(=O)CSC#N CS-0239749 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CC(=O)NCC#N CS-0514945 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 CC(=O)NCCN CS-W013694 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 CC(=O)OCC#N CS-0248523 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 CC(=O)SCCN CS-0256575 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 CC(=O)SCCN CS-0680538 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.4 CCCCC(=O)Br CS-0185634 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.4 CCCCC(N)=O CS-0206049 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.4 CCCNC(N)=O CS-0207277 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.4 CCNCC(=O)O CS-0250575 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.4 COCCC(=N)N CS-0046979 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.4 COCCC(=N)N CS-0261114 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 COCCC(N)=O CS-0251977 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 COCCC(N)=S CS-0355835 [1,0,0,0,0,0|2,1,0]=4 50 B6R0.4 COCCS(=O)O CS-0902763 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.4 CO\N=C\C(=O)O CS-0232698 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CSCCC(=N)N CS-0259328 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.4 CSCOC(C)=O CS-0316444 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.4 C\C=N\NC(N)=O CS-0465922 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 NC(=O)CCCCl CS-0660671 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.4 NC(=O)CCCO CS-0678691 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.4 NC(=O)OCCO CS-0218046 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.4 NCCCC(=O)O CS-0259736 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.4 O=C(O)CCCI CS-0045052 [1,0,0,0,0,0|1,0,1]=3 60 B8R0.9 C=C[C@H](N)CCC(=O)O CS-0545843 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.9 CCC(C)CCC(=O)O CS-0199329 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.9 CCC(C)OCC(=O)O CS-0223500 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.9 CCN(C)CCC(=O)O CS-0217514 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.9 CCS(=O)CCC(=O)O CS-0334302 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.9 CC\C(C)=C\CC(=O)O CS-W022219 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.9 CNC(=O)CCC(=O)O CS-0231377 [0,1,0,0,0,0|0,0,0]=1 67 B8R0.9 CNC(=O)\C=C\C(=O)O CS-0526179 [0,1,0,0,0,0|0,0,2]=3 68 B8R0.9 COC(=O)CCC(F)F CS-0759817 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.9 COC(=O)CCN(C)C CS-0204362 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.9 COC(=O)COC(C)C CS-0239634 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.9 COC(=O)\C=C\C(C)=O CS-0504754 [0,1,0,0,0,0|0,0,2]=3 72 B8R0.9 COC(C)COC(C)=O CS-0245967 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.9 C\C(CCC(C)C)=N/O CS-0525071 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.9 C\C=C(C)\C=C\C(=O)O CS-0368559 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.9 NCC(=O)CCC(=O)O CS-1045786 [0,1,0,0,0,0|0,0,0]=1 76 B8R0.9 O=C(O)CCC(=O)NO CS-0158394 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.9 O=C(O)CNC(=O)CCl CS-0201686 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.9 O=C(O)\C=C/C(=O)O[Na] CS-0185679 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.23 C=C(Br)C[C@H](N)C(=O)O CS-0196813 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.23 C=C(C)C[C@@H](N)C(=O)O CS-0504381 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.23 C=C(C)C[C@H](N)C(=O)O CS-0040778 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.23 C=C(NC(C)=O)C(=O)O CS-W011122 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.23 CC(=O)C(C)CC(C)C CS-0232005 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.23 CC(=O)CC(C)C(=O)O CS-0054789 [0,1,0,0,0,0|0,0,0]=1 85 B8R0.23 CC(=O)NC(C)C(C)=O CS-0199981 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.23 CC(=O)N[C@@H](C)C(N)=O CS-0333964 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.23 CC(=O)OC(C)C(C)=O CS-W013436 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.23 CC(C)C(C)CC(=O)O CS-0217045 [0,1,0,0,0,0|1,0,1]=3 89 B8R0.23 CC(C)CC(F)C(=O)O CS-0698889 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.23 CC(C)CC(N)C(N)=O CS-0091401 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.23 CC(C)CC(O)C(=O)O CS-0135968 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.23 CC(C)CC(O)C(=O)[O-] CS-0570289 [0,1,0,0,0,0|1,0,2]=4 93 B8R0.23 CC(C)C[C@@H](N)C(N)=O CS-0695657 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.23 CC(C)C[C@H](N)C(N)=O CS-0135142 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0038142 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.23 CC(CC(=O)O)N(C)C CS-0232067 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.23 CC(NC(N)=O)C(=O)O CS-0307440 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.23 CN(C)C[C@H](N)C(=O)O CS-0199765 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.23 CN(CC(=O)O)C(=N)N CS-0515762 [0,1,0,0,0,0|3,0,0]=4 100 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0158222 [0,1,0,0,0,0|0,0,2]=3 101 B8R0.23 C[C@H](CC(=O)O)C(=O)O CS-0200145 [0,1,0,0,0,0|1,0,0]=2 102 B8R0.23 C[C@H](NC(N)=O)C(=O)O CS-0235093 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.23 NC(CC(=O)O)C(=O)[O-] CS-0310543 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.23 O=C(O)C[C@H](Br)C(=O)O CS-0571726 [0,1,0,0,0,0|1,0,0]=2 105 B8R0.23 O=C(O)\C=C(/F)C(=O)O CS-0652245 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.23 O=C([O-])CC(O)C(=O)[O-] CS-0620307 [0,1,0,0,0,0|1,0,1]=3 107 B8R0.29 CC(=O)CNS(C)(=O)=O CS-0772432 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.29 CC(C)(C)SCC(=O)O CS-0308771 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.29 CC(C)(N)CCC(=O)O CS-0714446 [0,1,0,0,0,0|1,0,1]=3 110 B8R0.29 CS(=O)(=O)CCC(N)=S CS-0247210 [0,1,0,0,0,0|2,1,0]=4 111 B8R1.3 C=C1CCC(=O)CC1 CS-0465068 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.3 CC1=NNC(=O)CC1 CS-1055591 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.3 O=C1CCC(=O)NC1 CS-0009359 [0,0,0,1,0,0|1,0,0]=2 115 B8R1.3 O=C1CCC(Br)CC1 CS-0139183 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.3 [C@H]1(N)CCC(O)=NC1 CS-W006881 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.23 CC(C)C1CC(=O)N1 CS-0185257 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.23 NC1CC(C(=O)O)C1 CS-0051537 [0,0,0,1,0,0|1,0,1]=3 120 B8R1.23 O=C(O)C1CC(Br)C1 CS-0309921 [0,0,0,1,0,0|1,0,1]=3 121 B8R1.23 O=C(O)C1CC(O)C1 CS-W019144 [0,0,0,1,0,0|0,0,2]=3 122 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 CS-0047788 [0,0,0,1,0,0|1,0,1]=3 123 B8R1.35 O=C(O)CNC1CC1 CS-0249120 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.51 CC1(C)OCC(=O)O1 CS-W011234 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.77 CC1(C)CC1C(N)=O CS-0144916 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.77 O=C(O)C1CC1(Cl)Cl CS-0307437 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.77 O=C(O)[C@H]1CC1(F)F CS-0053638 [0,0,0,1,0,0|2,0,1]=4 128 B6R0.2 CC(=O)NC(C)=O CS-0188389 [0,0,0,0,1,0|2,0,0]=3 129 B6R0.2 CC(=O)NC(N)=O CS-W013697 [0,0,0,0,1,0|2,0,0]=3 130 B6R0.2 CC(=O)SC(C)=O CS-0622069 [0,0,0,0,1,0|2,0,0]=3 131 B6R0.2 CC(=O)[CH-]C(C)=O CS-0871014 [0,0,0,0,1,0|1,0,1]=3 132 B6R0.2 CC(=O)\C=C(\C)N CS-0369638 [0,0,0,0,1,0|2,0,1]=4 133 B6R0.2 CC(Cl)CC(=O)O CS-0206565 [0,0,0,0,1,0|1,0,1]=3 134 B6R0.2 CN(C)CC(N)=O CS-0159757 [0,0,0,0,1,0|3,0,0]=4 135 B6R0.2 C[S+](C)CC(=O)O CS-0204683 [0,0,0,0,1,0|2,0,0]=3 136 B6R0.2 C[S+](C)CC(=O)[O-] CS-0674576 [0,0,0,0,1,0|2,0,1]=4 137 B6R0.2 C\C(Cl)=C\C(=O)O CS-0245046 [0,0,0,0,1,0|1,0,1]=3 138 B6R0.2 NC(=O)CC(N)=S CS-0071222 [0,0,0,0,1,0|2,1,0]=4 139 B6R0.2 NC(=O)C[N+](=O)[O-] CS-0213050 [0,0,0,0,1,0|2,0,1]=4 140 B6R0.2 O=C(O)C=C(Cl)Cl CS-0215142 [0,0,0,0,1,0|2,0,1]=4 141 B6R0.2 O=C(O)[SnH2]C(=O)O CS-0158498 [0,0,0,0,1,0|2,0,0]=3 142 B6R0.2 O=C([O-])CC(=O)[O-] CS-0328770 [0,0,0,0,1,0|1,0,1]=3 143 B8R0.28 C=C(C)CCCC(=O)O CS-0235951 [0,0,0,0,0,1|1,0,0]=2 144 B8R0.28 CC(=O)CCCN(C)C CS-0272152 [0,0,0,0,0,1|3,0,0]=4 145 B8R0.28 CC(=O)CCOC(C)=O CS-0155058 [0,0,0,0,0,1|1,0,0]=2 146 B8R0.28 CC(=O)CCOC(C)C CS-0274586 [0,0,0,0,0,1|2,0,1]=4 147 B8R0.28 CC(=O)CSCC(C)C CS-0259166 [0,0,0,0,0,1|2,0,1]=4 148 B8R0.28 CC(=O)OCCN(C)C CS-0205959 [0,0,0,0,0,1|3,0,0]=4 149 B8R0.28 CC(C)=CCC[C@H](C)O CS-0877163 [0,0,0,0,0,1|2,0,1]=4 150 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,0,0,0,0,1|1,0,1]=3 151 B8R0.28 CC(C)COCC(=O)O CS-0183525 [0,0,0,0,0,1|1,0,1]=3 152 B8R0.28 CC(C)CSCC(=O)O CS-0248482 [0,0,0,0,0,1|1,0,1]=3 153 B8R0.28 CC(C)NCCC(=O)O CS-0244271 [0,0,0,0,0,1|1,0,1]=3 154 B8R0.28 CC(C)\C=C\CC(=O)O CS-0154348 [0,0,0,0,0,1|1,0,2]=4 155 B8R0.28 NC(=O)CCC[N+](=O)[O-] CS-0512902 [0,0,0,0,0,1|2,0,1]=4 156 B8R0.28 NC(=O)CNCC(N)=O CS-0257143 [0,0,0,0,0,1|2,0,0]=3 157 B8R0.28 NC(=O)CSCC(=O)O CS-0246637 [0,0,0,0,0,1|1,0,0]=2 158 B8R0.28 O=C([O-])CCCC(=O)[O-] CS-0445047 [0,0,0,0,0,1|1,0,1]=3 159 B5R0.1 C=CNC(C)=O CS-0167831 [2,0,0,0,0,0|1,0,1]=4 160 B5R0.1 CC(=O)\C=N/O CS-W013750 [2,0,0,0,0,0|1,0,1]=4 161 B5R0.1 CC(=O)\C=N\O CS-0047592 [2,0,0,0,0,0|1,0,1]=4 162 B5R0.1 CC(Br)CCO CS-0902584 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.1 CCCC(=O)[O-] CS-0188375 [2,0,0,0,0,0|0,0,1]=3 164 B5R0.1 CCCS(=O)[O-] CS-0298073 [2,0,0,0,0,0|1,0,1]=4 165 B5R0.1 CC\N=C(\C)O CS-W011352 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.1 CNCC(C)=O CS-0656412 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.1 COCC(N)=O CS-0186655 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 CS(=O)CCN CS-0217217 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.1 CSCC(C)=O CS-0206376 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.1 C\C=C\C(N)=O CS-0336304 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 NCCC(=O)[O-] CS-0771386 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.1 NNCC(=O)O CS-0697279 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.1 O=C(O)\C=C/Br CS-0696116 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.1 O=C(O)\C=C\Cl CS-0204258 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.2 C=CCNC=O CS-0239380 [2,0,0,0,0,0|1,0,1]=4 176 B7R0.2 C=CC(C)CC(=O)O CS-0243291 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.2 CC(=O)CC(C)C#N CS-0241518 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.2 CC(CN)CC(=O)O CS-0020588 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.2 CCC(N)CC(=O)O CS-0172209 [1,1,0,0,0,0|0,0,1]=3 180 B7R0.2 CCS(=O)CC(=O)O CS-0237100 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.2 CC[C@@H](N)CC(=O)O CS-0172026 [1,1,0,0,0,0|0,0,1]=3 182 B7R0.2 CC[C@H](N)CC(=O)O CS-0153929 [1,1,0,0,0,0|0,0,1]=3 183 B7R0.2 CC[C@H](N)CC(=O)O CS-0172024 [1,1,0,0,0,0|0,0,1]=3 184 B7R0.2 COC(C)CC(=O)O CS-0216817 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.2 CSC(C)CC(=O)O CS-0224328 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.2 NCC(N)CC(=O)O CS-0260960 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.2 NCC(O)CC(=O)O CS-0013138 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.3 C=CCCC(=O)CC CS-0253493 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.3 C=CCCC(=O)NC CS-0666768 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.3 C=CCNC(=O)CCl CS-0309272 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.3 CCC(=O)NCCO CS-0449194 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.3 CCNCC(=O)OC CS-0342279 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.3 CCOCC(=O)OC CS-0260436 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.3 CNC(=O)CCCCl CS-0249742 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.3 CNC(=O)CCCN CS-0207685 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.3 CNC(=O)OCCO CS-0075093 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.3 CNCCC(=O)NC CS-0217040 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.3 CNCCC(=O)OC CS-0454555 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.3 COCCC(=O)NN CS-0318297 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.3 C\C=C\CC(=O)OC CS-0185645 [1,1,0,0,0,0|0,0,1]=3 201 B7R0.3 NNC(=O)CCCO CS-0206368 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.4 C#CCCOC(C)=O CS-0242576 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.4 C#CCNCC(=O)O CS-0343178 [1,1,0,0,0,0|0,0,2]=4 204 B7R0.4 C=CCCOC(C)=O CS-0206024 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.4 C=CCNCC(=O)O CS-0170873 [1,1,0,0,0,0|0,0,1]=3 206 B7R0.4 C=CCSCC(=O)O CS-0216467 [1,1,0,0,0,0|0,0,1]=3 207 B7R0.4 CC(=O)CCCC#N CS-0446855 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.4 CC(=O)NCCCCl CS-0223153 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.4 CC(=O)NCCCN CS-0200175 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.4 CC(=O)NCCCN CS-0208169 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.4 CC(=O)NCCCO CS-0037159 [1,1,0,0,0,0|0,0,1]=3 212 B7R0.4 CC(=O)OCCCBr CS-0130245 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.4 CC(=O)SCCCCl CS-0232562 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.4 CC(=O)SCCCO CS-0570855 [1,1,0,0,0,0|0,0,1]=3 215 B7R0.4 CCCCOC(N)=O CS-0152093 [1,1,0,0,0,0|1,0,1]=4 216 B7R0.4 CCOCCC(=O)O CS-0216898 [1,1,0,0,0,0|0,0,1]=3 217 B7R0.4 CCSCCC(=O)O CS-0249654 [1,1,0,0,0,0|0,0,1]=3 218 B7R0.4 CNCCNC(C)=O CS-0234928 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.4 COCCNC(N)=O CS-0213036 [1,1,0,0,0,0|2,0,0]=4 220 B7R0.4 COC\C=C\C(=O)O CS-0782179 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.4 CSCCCC(=O)O CS-0261815 [1,1,0,0,0,0|0,0,1]=3 222 B7R0.4 CSCCCC(C)=O CS-0459306 [1,1,0,0,0,0|0,1,1]=4 223 B7R0.4 CSCCNC(N)=O CS-0244833 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.4 C\C=C/C=C/C(=O)O CS-0747017 [1,1,0,0,0,0|0,0,2]=4 225 B7R0.4 NC(=O)CCCCO CS-0236568 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.4 NC(=O)CSCCO CS-0328374 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.4 NC(=O)NCCCO CS-0261419 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.4 NCCCCC(=O)O CS-0214159 [1,1,0,0,0,0|0,0,1]=3 229 B7R0.4 NCCCCC(N)=O CS-0112084 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.4 NCCOCC(=O)O CS-0162340 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.4 O=CNCCC(=O)O CS-0512115 [1,1,0,0,0,0|0,0,0]=2 232 B7R0.5 C#CCC(N)C(=O)O CS-0043990 [1,1,0,0,0,0|0,0,2]=4 233 B7R0.5 C=CC[C@@H](N)C(=O)O CS-0020004 [1,1,0,0,0,0|0,0,1]=3 234 B7R0.5 CC(CCN)C(=O)O CS-0308023 [1,1,0,0,0,0|1,0,1]=4 235 B7R0.5 CC(NC=O)C(=O)O CS-0201634 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.5 CCCC(Br)C(=O)O CS-0622324 [1,1,0,0,0,0|0,0,1]=3 237 B7R0.5 CCCC(O)C(=O)O CS-0062341 [1,1,0,0,0,0|0,0,1]=3 238 B7R0.5 CCCC(O)C(N)=O CS-0524864 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.5 CCC[C@H](N)C(N)=O CS-0120151 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.5 CCOC(C)C(=O)O CS-0136065 [1,1,0,0,0,0|1,0,1]=4 241 B7R0.5 CNCC(C)C(=O)O CS-0216874 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.5 COCC(C)C(=O)O CS-0737187 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.5 CSCC(C)C(=O)O CS-0259419 [1,1,0,0,0,0|1,0,0]=3 244 B7R0.5 C[C@H](NC=O)C(=O)O CS-0201635 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.5 NCCC(N)C(=O)O CS-0521573 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.5 NCC[C@@H](N)C(=O)O CS-W005155 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.5 NCC[C@H](N)C(=O)O CS-0447015 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.5 N[C@@H](CCBr)C(=O)O CS-W010140 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.5 O=C(O)C(Br)CCBr CS-0340260 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.8 CCCCP(=O)(O)O CS-0451169 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.9 C[Si](C)(C)CC(=O)O CS-W016542 [0,1,0,0,1,0|1,1,0]=4 252 B7R0.16 CC(C(N)=O)C(N)=O CS-0235187 [0,1,0,0,1,0|2,0,0]=4 253 B7R0.16 CC(C)C(S)C(=O)O CS-0222512 [0,1,0,0,1,0|1,0,1]=4 254 B7R0.16 CC(C)[C@H](N)C(=O)O CS-0201920 [0,1,0,0,1,0|1,0,1]=4 255 B7R0.16 CC(O)C(N)C(=O)O CS-0154977 [0,1,0,0,1,0|0,0,2]=4 256 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0221986 [0,1,0,0,1,0|2,0,0]=4 257 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0201886 [0,1,0,0,1,0|0,0,2]=4 258 B7R0.16 O=C(O)C(F)C(=O)O CS-0469892 [0,1,0,0,1,0|1,0,0]=3 259 B9R0.1 C=C(C)CCCC(=O)OC CS-0160700 [0,1,0,0,0,1|1,0,0]=3 260 B9R0.1 COC(=O)CCNC(C)=O CS-0662351 [0,1,0,0,0,1|0,0,0]=2 261 B9R0.1 COC(=O)CSCC(=O)O CS-0161691 [0,1,0,0,0,1|0,0,0]=2 262 B9R0.1 NCC(=O)NCCC(N)=O CS-0511573 [0,1,0,0,0,1|1,0,0]=3 263 B9R0.7 CC(=O)N(C)CCC(=O)O CS-0212568 [0,1,0,0,0,1|0,0,0]=2 264 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CS-0199359 [0,1,0,0,0,1|0,0,0]=2 265 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O CS-W010858 [0,1,0,0,0,1|0,0,0]=2 266 B9R0.7 CC(C)CCC(N)C(=O)O CS-0261172 [0,1,0,0,0,1|1,0,1]=4 267 B9R0.7 CC(C)COC(C)C(=O)O CS-0248214 [0,1,0,0,0,1|1,0,1]=4 268 B9R0.7 CC(C)N(C)CCC(=O)O CS-0335219 [0,1,0,0,0,1|1,0,1]=4 269 B9R0.7 NC(=O)CC[C@H](N)C(N)=O CS-0208880 [0,1,0,0,0,1|2,0,0]=4 270 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CS-0208769 [0,1,0,0,0,1|1,0,0]=3 271 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CS-0196933 [0,1,0,0,0,1|1,0,0]=3 272 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CS-0209066 [0,1,0,0,0,1|1,0,0]=3 273 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0201583 [0,1,0,0,0,1|1,0,0]=3 274 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-0167214 [0,1,0,0,0,1|1,0,0]=3 275 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-0912437 [0,1,0,0,0,1|1,0,0]=3 276 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O CS-0697917 [0,1,0,0,0,1|1,0,0]=3 277 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] CS-0450762 [0,1,0,0,0,1|1,0,1]=4 278 B9R0.53 CC(=O)NC(C)CC(=O)O CS-0276848 [0,1,0,0,0,1|0,0,0]=2 279 B9R0.53 CC(=O)OC(C)OC(C)=O CS-0206532 [0,1,0,0,0,1|2,0,0]=4 280 B9R0.53 CC(C)CC(O)CC(=O)O CS-0571776 [0,1,0,0,0,1|1,0,1]=4 281 B9R0.53 C\C(=C/C(=O)O)CC(=O)O CS-0356558 [0,1,0,0,0,1|1,0,1]=4 282 B9R0.56 CC(=O)SCCS(=O)(=O)[O-] CS-0154989 [0,1,0,0,0,1|1,0,1]=4 283 B9R0.56 CS(=O)(=O)NCCC(=O)O CS-0076441 [0,1,0,0,0,1|1,0,0]=3 284 B9R0.56 NS(=O)(=O)CCCC(=O)O CS-0204233 [0,1,0,0,0,1|2,0,0]=4 285 B9R0.56 O=C(O)CCCP(=O)(O)O CS-0210890 [0,1,0,0,0,1|2,0,0]=4 286 B9R0.21 COC(=O)CCS(N)(=O)=O CS-0093812 [0,2,0,0,0,0|1,0,1]=4 287 B9R0.23 CCN(C)C(C)CC(=O)O CS-0336993 [0,2,0,0,0,0|2,0,0]=4 288 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CS-0162444 [0,2,0,0,0,0|1,0,1]=4 289 B9R0.23 CNC(=O)[C@H](C)NC(C)=O CS-0210640 [0,2,0,0,0,0|2,0,0]=4 290 B9R0.23 COC(=O)C(C)CC(C)=O CS-0233831 [0,2,0,0,0,0|0,0,0]=2 291 B9R0.23 COC(=O)C(C)OC(C)=O CS-0161286 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.23 COC(=O)C(N)CC(N)=O CS-0258925 [0,2,0,0,0,0|1,0,0]=3 293 B9R0.23 COC(=O)[C@H](C)OC(C)=O CS-0161605 [0,2,0,0,0,0|1,0,0]=3 294 B9R0.23 N[C@@H](CC(=O)O)C(=O)O[K] CS-0021583 [0,2,0,0,0,0|1,0,0]=3 295 B9R0.23 O=C(O)CC(O)C(=O)O[K] CS-0636241 [0,2,0,0,0,0|1,0,0]=3 296 B9R0.24 CCC(=O)CCC(=O)OC CS-0504000 [0,2,0,0,0,0|0,0,0]=2 297 B9R0.24 CCC(O)CCC(=O)O[Na] CS-0620476 [0,2,0,0,0,0|0,0,2]=4 298 B9R0.24 CNC(=O)CNC(=O)CCl CS-0295004 [0,2,0,0,0,0|2,0,0]=4 299 B9R0.24 COC(=O)CNC(=O)CCl CS-0181085 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.24 COC(=O)NNC(=O)OC CS-0361299 [0,2,0,0,0,0|2,0,0]=4 301 B9R0.42 CC(NC(=O)CCl)C(=O)O CS-0201631 [0,2,0,0,0,0|1,0,0]=3 302 B9R0.42 CC(NC(=O)CN)C(=O)O CS-0312671 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.42 CCC(=O)NC(C)C(=O)O CS-0825091 [0,2,0,0,0,0|1,0,0]=3 304 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O CS-0263363 [0,2,0,0,0,0|1,0,0]=3 305 B9R0.42 CCC(C)CC(O)C(=O)O CS-0295593 [0,2,0,0,0,0|1,0,1]=4 306 B9R0.42 CNC(=O)CN(C)C(C)=O CS-0231434 [0,2,0,0,0,0|2,0,0]=4 307 B9R0.42 COC(=O)CC(C)C(=O)O CS-0517436 [0,2,0,0,0,0|0,0,0]=2 308 B9R0.42 NCC(=O)CC(N)C(=O)O CS-0697871 [0,2,0,0,0,0|0,0,0]=2 309 B9R0.43 CCN(CC)CCC(=O)O CS-0204573 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.48 CCCC(=O)NCC(N)=O CS-0737569 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.48 CCNC(=O)CCC(=O)O CS-0258029 [0,2,0,0,0,0|0,0,0]=2 312 B9R0.48 CCOC(=O)COC(C)=O CS-0699051 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.48 CCOC(=O)\C=C/C(=O)O CS-0151926 [0,2,0,0,0,0|0,0,2]=4 314 B9R0.48 CCOC(=O)\C=C\C(C)=O CS-0151929 [0,2,0,0,0,0|0,0,2]=4 315 B9R0.48 CCOC(=S)SCC(=O)O CS-0660938 [0,2,0,0,0,0|1,1,0]=4 316 B9R0.64 CCS(=O)(=O)CCC(=O)O CS-0461016 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.10 CC(C)(C)C(N)CC(=O)O CS-0145802 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O CS-0038704 [0,2,0,0,0,0|1,0,1]=4 319 B9R0.11 CC(=O)NC(C)(C)C(=O)O CS-0216989 [0,2,0,0,0,0|1,0,0]=3 320 B9R0.11 CC(C)CC(C)(C)C(=O)O CS-0230275 [0,2,0,0,0,0|1,0,1]=4 321 B9R0.11 CC(C)CC(C)(N)C(=O)O CS-0207003 [0,2,0,0,0,0|1,0,1]=4 322 B9R0.11 CC(C)CC(C)(O)C(=O)O CS-0308626 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O CS-0186121 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CS-0120175 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.11 O=C(O)CC(F)(F)C(=O)O CS-0130150 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.39 CC(C)CC(CN)C(=O)O CS-0416090 [0,2,0,0,0,0|1,0,1]=4 327 B9R0.39 CC(C)C[C@@H](CN)C(=O)O CS-0061016 [0,2,0,0,0,0|1,0,1]=4 328 B9R0.39 CCC(NC(N)=O)C(=O)O CS-0233619 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.39 CNC(CC(C)C)C(=O)O CS-0682993 [0,2,0,0,0,0|1,0,1]=4 330 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CS-0138009 [0,2,0,0,0,0|1,0,0]=3 331 B9R0.57 CC(C)(C)CC(N)C(=O)O CS-0223358 [0,2,0,0,0,0|1,0,1]=4 332 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O CS-0053492 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.57 CC(NS(C)(=O)=O)C(=O)O CS-0245835 [0,2,0,0,0,0|2,0,0]=4 334 B9R0.57 C[C@H](OS(C)(=O)=O)C(=O)O CS-0158275 [0,2,0,0,0,0|2,0,0]=4 335 B9R0.79 CC(C(=O)O)C(N)C(=O)O CS-W018217 [0,2,0,0,0,0|1,0,0]=3 336 B9R0.79 NC(C(=O)O)C(O)C(=O)O CS-0206811 [0,2,0,0,0,0|1,0,0]=3 337 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CS-0441617 [0,2,0,0,0,0|1,0,0]=3 338 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-0160151 [0,2,0,0,0,0|1,0,0]=3 339 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-0466042 [0,2,0,0,0,0|1,0,0]=3 340 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-0972890 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] CS-0450826 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] CS-0770508 [0,2,0,0,0,0|1,0,1]=4 343 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.2 CC1=CC(=O)OC1 CS-0205200 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.2 CC1CCC(=O)N1 CS-0046659 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.2 CC1CNC(=O)O1 CS-0308136 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.2 CN1CCC(=O)C1 CS-0043579 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [1,0,0,1,0,0|0,0,1]=3 349 B7R1.2 O=C1C=CC(=O)C1 CS-0204257 [1,0,0,1,0,0|0,0,2]=4 350 B7R1.2 O=C1C=CC(=O)O1 CS-0504295 [1,0,0,1,0,0|0,0,2]=4 351 B7R1.2 O=C1CC(=O)NN1 CS-0111719 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.2 O=C1CC(O)=CO1 CS-0875094 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.2 O=C1CC(O)CO1 CS-W013700 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.18 CC(=O)C1COC1 CS-0056978 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.18 NC(=O)C1CNC1 CS-0053755 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.18 NC(=O)C1CNC1 CS-0247363 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.18 NC(=O)C1CNC1 CS-W000790 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.18 [C@H]1(C(=O)O)CCN1 CS-0044037 [1,0,0,1,0,0|1,0,1]=4 359 B7R1.20 CC(=O)CC1CC1 CS-0342620 [1,0,0,1,0,0|1,0,1]=4 360 B7R1.20 NC(=O)CC1CC1 CS-0055986 [1,0,0,1,0,0|1,0,1]=4 361 B9R1.35 C=C1CCC(C(=O)O)C1 CS-0748655 [0,0,0,1,0,1|1,0,0]=3 362 B9R1.35 CC(=O)N1CCC(=O)C1 CS-0137794 [0,0,0,1,0,1|1,0,0]=3 363 B9R1.35 CC1=NOC(C(=O)O)C1 CS-0205702 [0,0,0,1,0,1|2,0,0]=4 364 B9R1.35 NC(=O)C1CCC(=O)N1 CS-0130439 [0,0,0,1,0,1|2,0,0]=4 365 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 CS-0086849 [0,0,0,1,0,1|1,0,1]=4 366 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 CS-0183313 [0,0,0,1,0,1|1,0,1]=4 367 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0447648 [0,0,0,1,0,1|1,0,1]=4 368 B9R1.35 O=C(O)C1CC(F)CN1 CS-0472753 [0,0,0,1,0,1|1,0,1]=4 369 B9R1.35 O=C(O)C1CC(O)CN1 CS-0454925 [0,0,0,1,0,1|0,0,2]=4 370 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0001911 [0,0,0,1,0,1|1,0,1]=4 371 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 CS-0053409 [0,0,0,1,0,1|0,1,1]=4 372 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0055610 [0,0,0,1,0,1|1,0,1]=4 373 B9R1.35 O=C1CC(C(=O)O)CS1 CS-0184651 [0,0,0,1,0,1|0,0,0]=2 374 B9R1.35 O=C1CNC(C(=O)O)C1 CS-0050785 [0,0,0,1,0,1|0,0,0]=2 375 B9R1.35 O=C1N[C@H](C(=O)O)CO1 CS-0099760 [0,0,0,1,0,1|1,0,0]=3 376 B9R1.53 CC(=O)OC1CC(=O)C1 CS-0045537 [0,0,0,1,0,1|1,0,0]=3 377 B9R1.66 C[C@@]1(O)CCOC(=O)C1 CS-0113822 [0,0,0,1,0,1|1,0,1]=4 378 B9R1.85 O=C(O)CCNC1CC1 CS-0244365 [0,0,0,1,0,1|1,0,1]=4 379 B9R1.85 O=C(O)CCNC1CC1 CS-0449311 [0,0,0,1,0,1|1,0,1]=4 380 B9R1.85 O=C(O)CNCC1CC1 CS-0346285 [0,0,0,1,0,1|1,0,1]=4 381 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O CS-0474007 [0,0,0,1,0,1|1,0,0]=3 382 B9R1.161 O=C(O)C1CC1C(=O)O CS-0141448 [0,0,0,1,0,1|1,0,0]=3 383 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O CS-0446134 [0,0,0,1,0,1|1,0,0]=3 384 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CS-0053574 [0,0,0,1,0,1|1,0,0]=3 385 B9R1.67 CC(=O)OC1CCC1=O CS-0506288 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.69 CC1CCC(=O)NC1=O CS-0061420 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.69 CN1CCC(=O)CC1=O CS-0054999 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.69 CN1CCC(=O)NC1=O CS-0230251 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.82 CNC(=O)C1CC(O)C1 CS-0325289 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.82 COC(=O)C1CC(Cl)C1 CS-0043992 [0,1,0,1,0,0|1,0,1]=4 391 B9R1.82 COC(=O)C1CC(I)C1 CS-0623123 [0,1,0,1,0,0|1,0,1]=4 392 B9R1.95 COC1CC(C(=O)O)C1 CS-0051288 [0,1,0,1,0,0|0,0,2]=4 393 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 CS-0047777 [0,1,0,1,0,0|0,0,2]=4 394 B9R1.95 NCC1CC(C(=O)O)C1 CS-0045468 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.112 NC(CC1CC1)C(=O)O CS-0171563 [0,1,0,1,0,0|1,0,1]=4 396 B9R1.152 CC(=O)C1(C)CC(=O)C1 CS-1057305 [0,1,0,1,0,0|1,0,0]=3 397 B9R1.152 NC1(C(=O)O)CC(F)C1 CS-0052641 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.164 CC1(F)CC(C(=O)O)C1 CS-0054535 [0,1,0,1,0,0|1,0,1]=4 399 B5R0.5 C=C(Br)C(=O)O CS-0376420 [0,0,0,0,2,0|1,0,1]=4 400 B5R0.5 CC(=O)C(N)=O CS-0233017 [0,0,0,0,2,0|1,0,0]=3 401 B5R0.5 CC(O)C(=O)O CS-0945561 [0,0,0,0,2,0|0,0,2]=4 402 B5R0.5 NC(=O)C(=O)[O-] CS-0199029 [0,0,0,0,2,0|1,0,1]=4 403 B5R0.5 O=C([O-])C(=O)[O-] CS-0504269 [0,0,0,0,2,0|1,0,1]=4 404 B9R0.55 CC(C)CCOCC(=O)O CS-0251874 [0,0,0,0,0,2|1,0,1]=4 405 B9R0.55 CC(C)CCSCC(=O)O CS-0251329 [0,0,0,0,0,2|1,0,1]=4 406 B9R0.55 CC(C)CNCCC(=O)O CS-0249769 [0,0,0,0,0,2|1,0,1]=4 407 B9R0.55 CC(C)CSCCC(=O)O CS-0248481 [0,0,0,0,0,2|1,0,1]=4 408 B9R0.55 CC(C)OCCCC(=O)O CS-0233297 [0,0,0,0,0,2|1,0,1]=4 409 B9R0.55 NC(=O)CCCCC(N)=O CS-0149939 [0,0,0,0,0,2|2,0,0]=4 410 B9R0.55 O=C(O)CCCCC(=O)O CS-0833959 [0,0,0,0,0,2|1,0,0]=3 411 B9R0.55 O=C(O)CCNCC(=O)O CS-1057688 [0,0,0,0,0,2|1,0,0]=3 412 B9R0.55 O=C(O)\C=C\CCC(=O)O CS-0468838 [0,0,0,0,0,2|1,0,0]=3 413 B9R0.55 O=C([O-])CCCCC(=O)[O-] CS-0455468 [0,0,0,0,0,2|1,0,1]=4