0 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=O)C[N+](=O)[O-] SC-67566 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.2 CC(=O)NC(N)=O SC-87858 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(C)CC(=N)N SC-40541 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.2 CN(C)CC(N)=S SC-62281 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.2 NC(=O)CC(N)=O SC-47182 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 NC(N)=C[N+](=O)[O-] SC-33362 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.2 O=C(O)CC(=O)O SC-77641 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.1 CC(=O)NCO SC-19774 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CC(=O)\C=N\O SC-51367 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(C)=CCBr SC-61636 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CNCC(=O)[O-] SC-18610 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 COCC(=O)O SC-22928 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 COCC(C)=O SC-81373 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CSCC(N)=O SC-27108 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 C\C=C\C(=O)Cl SC-24539 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 C\C=C\[N+](=O)[O-] SC-65946 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 O=C(O)CCF SC-53145 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.2 CC(C)C\C(N)=N/O SC-56230 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.2 CCC(=O)OC(C)=O SC-96821 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.2 COC(=O)C=C(C)C SC-26810 [0,1,0,0,0,0|0,0,0]=1 27 B7R0.2 COC(=O)CC(C)=O SC-65271 [0,1,0,0,0,0|1,0,1]=3 28 B7R0.2 COC(=O)C[C@@H](C)O SC-08902 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.9 CC(C)(C)CC(=O)O SC-22389 [0,1,0,0,0,0|0,0,2]=3 30 B7R0.9 CC(C)=CS(N)(=O)=O SC-32958 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.9 C[N+](C)(C)CC(=O)O SC-27478 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.16 C[C@H](N)[C@H](N)C(=O)O SC-10141 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,1,0,0,0,0|0,0,2]=3 36 B7R1.2 CC1=CC(Br)=CS1 SC-65134 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.2 CC1=NN=C(O)O1 SC-84443 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.2 CC1CCC(=O)N1 SC-89347 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.2 CC1CNC(=O)N1 SC-65644 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.2 CC1CNC(=O)N1 SC-67475 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.2 CC1CSC(=O)S1 SC-51669 [0,0,0,1,0,0|1,1,1]=4 42 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [0,0,0,1,0,0|0,0,2]=3 44 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [0,0,0,1,0,0|1,0,1]=3 45 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [0,0,0,1,0,0|1,0,1]=3 46 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.2 O=C1CNC(=O)N1 SC-46970 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.2 O=C1OCC(F)O1 SC-19199 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.12 CC1CC1C(=O)Cl SC-60998 [0,0,0,1,0,0|1,0,2]=4 51 B7R1.12 CC1CC1C(=O)O SC-71058 [0,0,0,1,0,0|0,0,2]=3 52 B5R0.5 C=C(C)[N+](=O)[O-] SC-66208 [0,0,0,0,1,0|1,0,2]=4 53 B5R0.5 CC(=O)C(=O)[O-] SC-25992 [0,0,0,0,1,0|1,0,1]=3 54 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [0,0,0,0,1,0|1,0,1]=3 55 B5R0.5 CC(=O)C(C)Br SC-44476 [0,0,0,0,1,0|2,0,1]=4 56 B5R0.5 CC(Cl)C(N)=O SC-50401 [0,0,0,0,1,0|2,0,1]=4 57 B5R0.5 CC(O)C(=O)O SC-15841 [0,0,0,0,1,0|1,0,1]=3 58 B5R0.5 CC(O)C(=O)O SC-18578 [0,0,0,0,1,0|1,0,1]=3 59 B5R0.5 CC(O)C(=O)[O-] SC-15837 [0,0,0,0,1,0|1,0,2]=4 60 B5R0.5 CC(O)C(=O)[O-] SC-18033 [0,0,0,0,1,0|1,0,2]=4 61 B5R0.5 CC(O)C(=O)[O-] SC-46260 [0,0,0,0,1,0|1,0,2]=4 62 B5R0.5 O=C(O)C(=O)O SC-52693 [0,0,0,0,1,0|2,0,0]=3 63 B5R0.5 O=C(O)C(=O)O SC-96241 [0,0,0,0,1,0|2,0,0]=3 64 B5R0.5 O=C([O-])C(=O)[O-] SC-18446 [0,0,0,0,1,0|2,0,1]=4 65 B5R0.5 [C@@H](C)(N)C(N)=O SC-22084 [0,0,0,0,1,0|2,0,1]=4 66 B7R0.6 CC(=O)CCN(C)C SC-53808 [0,0,0,0,0,1|2,0,1]=4 67 B7R0.6 CC(=O)OCC(=O)Cl SC-17748 [0,0,0,0,0,1|2,0,1]=4 68 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,0,1|1,0,1]=3 69 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,0,1|1,0,1]=3 70 B7R0.6 O=C(O)\C=C\C(=O)O SC-30089 [0,0,0,0,0,1|2,0,0]=3 71 B7R0.6 O=C([O-])\C=C\C(=O)[O-] SC-80109 [0,0,0,0,0,1|2,0,1]=4 72 B4R0.1 C=CC(=O)Cl SC-18188 [2,0,0,0,0,0|1,0,0]=3 73 B4R0.1 C=CC(=O)[O-] SC-80823 [2,0,0,0,0,0|0,0,1]=3 74 B4R0.1 COC(=O)[O-] SC-65186 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 COC(N)=O SC-46315 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 NCC(=O)O SC-26815 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.1 O=C(O)CO SC-85771 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.3 C=CC(N)C(=O)O SC-83691 [1,1,0,0,0,0|0,0,2]=4 79 B6R0.3 CC(=O)\C(C)=N\O SC-46911 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.3 CCC(C)C(=O)O SC-22738 [1,1,0,0,0,0|0,0,2]=4 81 B6R0.3 CCC(Cl)C(=O)O SC-96228 [1,1,0,0,0,0|0,0,2]=4 82 B6R0.3 CCC(O)C(=O)O SC-88990 [1,1,0,0,0,0|0,0,2]=4 83 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [1,1,0,0,0,0|0,0,2]=4 84 B6R0.4 C=CNCC(=O)O SC-21370 [1,1,0,0,0,0|0,0,2]=4 85 B6R0.4 CC(C)=CCCO SC-52391 [1,1,0,0,0,0|0,0,1]=3 86 B6R0.4 CC(C)=NNC=O SC-26098 [1,1,0,0,0,0|1,0,0]=3 87 B6R0.4 O=C(O)CCCBr SC-02994 [1,1,0,0,0,0|0,0,2]=4 88 B6R0.7 CC(C)(C)C(=O)O SC-16199 [0,1,0,0,1,0|0,0,1]=3 89 B6R0.7 CC(C)(O)C(=O)O SC-25774 [0,1,0,0,1,0|0,0,1]=3 90 B8R0.9 CC(C)O\C=C(/Br)C=O SC-31946 [0,1,0,0,0,1|1,0,1]=4 91 B8R0.9 COC(=O)CNC(C)=O SC-66088 [0,1,0,0,0,1|1,0,1]=4 92 B8R0.9 NC(=O)\C=C/C(=O)NO SC-76547 [0,1,0,0,0,1|2,0,0]=4 93 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,1,0,0,0,1|1,0,1]=4 94 B8R0.9 NCC(=O)NCC(=O)O SC-17448 [0,1,0,0,0,1|1,0,1]=4 95 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [0,1,0,0,0,1|1,0,1]=4 96 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [0,1,0,0,0,1|0,0,2]=4 97 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,1,0,0,0,1|0,0,2]=4 98 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,1,0,0,0,1|0,0,2]=4 99 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,1,0,0,0,1|1,0,1]=4 100 B8R0.2 CCC(C)C(N)C(=O)O SC-09608 [0,2,0,0,0,0|0,0,2]=4 101 B8R0.2 COC(=O)C(=O)C(C)Br SC-49692 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.2 COC(=O)C(=O)C(C)C SC-26959 [0,2,0,0,0,0|0,0,1]=3 103 B8R0.2 COC(=O)C(Cl)C(C)=O SC-49511 [0,2,0,0,0,0|1,0,1]=4 104 B8R0.2 COC(=O)[C@@H](N)C(C)C SC-10007 [0,2,0,0,0,0|0,0,2]=4 105 B8R0.2 CON(C)C(=O)C(=O)O SC-32952 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.2 CON(C)C(=O)C(C)=O SC-33432 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.2 [C@H](C)(CC)[C@@H](N)C(=O)O SC-09606 [0,2,0,0,0,0|0,0,2]=4 108 B8R0.5 C=CC[C@@H](O)C=C(C)C SC-31319 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.5 C=CC[C@H](O)C=C(C)C SC-31274 [0,2,0,0,0,0|1,0,1]=4 110 B8R0.5 CCOC(=O)CC(C)=O SC-18922 [0,2,0,0,0,0|1,0,1]=4 111 B8R0.5 CCOC(=O)CN(C)C SC-17425 [0,2,0,0,0,0|1,0,1]=4 112 B8R0.5 CCOC(=O)C[S+](C)C SC-43826 [0,2,0,0,0,0|1,0,1]=4 113 B8R0.16 CN\C(=C/[N+](=O)[O-])SC SC-46264 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.16 CN\C(=C\[N+](=O)[O-])OC SC-65233 [0,2,0,0,0,0|1,0,1]=4 115 B8R0.19 CN\C(C)=C/C(=O)OC SC-50211 [0,2,0,0,0,0|0,0,0]=2 116 B8R0.19 COC(=O)OC(=O)OC SC-73412 [0,2,0,0,0,0|2,0,0]=4 117 B8R0.27 CC(C)(O)[C@H](N)C(=O)O SC-58234 [0,2,0,0,0,0|0,0,2]=4 118 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1204 [0,2,0,0,0,0|0,0,2]=4 119 B6R1.2 CC1=CC=CS1 SC-05307 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.2 CC1=NON=C1 SC-49430 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.2 NC1=COC=C1 SC-34995 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.2 O=C1OCCO1 SC-46725 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.2 S=C1C=CCC1 SC-42975 [1,0,0,1,0,0|1,1,0]=4 124 B6R1.2 [CH2-]C1=CC=CO1 SC-22251 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.2 [Co]C1=CC=CC1 SC-66763 [1,0,0,1,0,0|2,0,0]=4 126 B6R1.11 O=C(O)C1CS1 SC-70775 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,0,0,1,0,1|1,0,1]=4 128 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,0,0,1,0,1|1,0,1]=4 129 B8R1.35 O=C(O)\C=C\C1CC1 SC-39438 [0,0,0,1,0,1|0,0,1]=3 130 B8R1.1 CC1=CC(CO)=NO1 SC-03754 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.1 COC1=CC(=O)CC1 SC-21379 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.1 NNC1=CC(=O)OC1 SC-35537 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.1 O=C1C=C(CBr)CO1 SC-27326 [0,1,0,1,0,0|0,0,0]=2 134 B8R1.1 O=C1N[C@H](CO)CO1 SC-33358 [0,1,0,1,0,0|1,0,1]=4 135 B8R1.4 CC1=CC(O)=NC=N1 SC-43834 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.34 O=C(O)C=C1CCC1 SC-67620 [0,1,0,1,0,0|0,0,0]=2 137 B8R1.50 CC1=C(O)CCC1=O SC-66441 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.50 CC1=NOC(C)=C1Br SC-00229 [0,1,0,1,0,0|2,0,0]=4 139 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,0,0,0,2|0,0,2]=4 140 B8R0.28 C=C(C)\C=C\OC(C)=O SC-31173 [0,0,0,0,0,2|1,0,1]=4 141 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,0,0,0,0,2|1,0,0]=3