0 B8R0.5 CCOC(=O)CC(C)=O SC-18922 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.5 CCOC(=O)CC(N)=S SC-88868 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.5 CCOC(=O)CN(C)C SC-17425 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.5 CCOC(=O)C[S+](C)C SC-43826 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.5 CCOC(=O)OC(C)Cl SC-25939 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.2 CC(C)C\C(N)=N/O SC-56230 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.2 CCC(=O)OC(C)=O SC-96821 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 CCC(O)CC(C)O SC-95923 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.2 COC(=O)C=C(C)C SC-26810 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.2 COC(=O)CC(C)=O SC-65271 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.2 COC(=O)C[C@@H](C)O SC-08902 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 CCCCCC(C)O SC-81258 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.7 CCCN(C)CCC SC-85868 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.7 CCOC(=N)CCBr SC-59650 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.7 CCOC(=N)CCCl SC-54611 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.7 CCOC(=N)CCO SC-54612 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.7 CCOC(=N)CSC SC-59670 [1,0,0,0,0,0|2,0,0]=3 17 B9R0.4 CCCOC(=O)CC(C)=O SC-65215 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.6 CCOC(=O)C(=O)C(C)C SC-58212 [0,1,0,0,0,0|0,0,1]=2 19 B9R0.6 CCOC(=O)C(Br)C(C)=O SC-70184 [0,1,0,0,0,0|1,0,1]=3 20 B9R0.6 CCOC(=O)[C@@H](N)C(C)C SC-10005 [0,1,0,0,0,0|0,0,0]=1 21 B9R0.14 CCCC(CC(C)C)NN SC-39106 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.23 COC(=O)C(=O)CC(C)C SC-27308 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.34 CCCC(=O)CC(=O)OC SC-27187 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.34 CCOC(=O)CC(=O)CBr SC-52677 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.34 CCOC(=O)CC(=O)NN SC-47827 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.34 CCOC(=O)\C=C(\C)NC SC-48050 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.44 CC(C)(C)OC(=O)NCO SC-49896 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.44 C\C=C\C(=O)OC(C)(C)C SC-91034 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.53 CC(C)OC(=O)CC(=O)O SC-31951 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.53 C\C(N)=C\C(=O)OC(C)C SC-13425 [0,1,0,0,0,0|1,0,2]=4 31 B9R1.13 CC(C)CC1CCCN1 SC-29304 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.34 CC1CC(O)=CC(=O)O1 SC-53500 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.38 CC1(C)CC(=O)NC1=O SC-70560 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.38 CC1(C)CC(=O)OC1=O SC-45366 [0,0,0,1,0,0|1,0,1]=3 35 B9R1.41 CC(Cl)N1CCCC1=O SC-68545 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.75 CCOC(=O)CC1CC1 SC-36111 [0,0,0,1,0,0|0,0,0]=1 37 B9R1.75 CCOC(=O)C[C@@H]1CO1 SC-87876 [0,0,0,1,0,0|1,0,0]=2 38 B9R1.183 CCOC(=O)C1CC1C SC-41662 [0,0,0,1,0,0|0,0,0]=1 39 B7R0.5 C=C(Br)C(=O)OCC SC-88211 [0,0,0,0,1,0|1,0,2]=4 40 B7R0.5 CCOC(=O)C(F)F SC-15788 [0,0,0,0,1,0|2,0,0]=3 41 B7R0.5 CCOC(=O)C(N)=O SC-20979 [0,0,0,0,1,0|2,0,1]=4 42 B7R0.5 CCOC(=O)[C@@H](C)N SC-41949 [0,0,0,0,1,0|1,0,0]=2 43 B7R0.5 CCOC(=O)[C@H](C)N SC-50937 [0,0,0,0,1,0|1,0,0]=2 44 B9R0.48 CC(C)CCC(=O)OCCl SC-69819 [0,0,0,0,0,1|1,0,0]=2 45 B9R0.48 CCOC(=O)CCC(C)C SC-41649 [0,0,0,0,0,1|0,0,0]=1 46 B6R0.1 C=CC(=O)OCC SC-19398 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.1 CCC(=O)CC#N SC-26865 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.1 CCCC(Br)CC SC-87780 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.1 COC(=O)CC#N SC-19134 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.1 COC(=O)CCCl SC-19880 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.2 C=C(C)CC(=O)O SC-31698 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.2 CC(=O)CC(C)=O SC-68118 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.2 CC(C)CC(=N)N SC-40541 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.2 CC(C)CC(C)Br SC-26522 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.2 CN(C)CC(=O)O SC-09555 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.2 CN(C)CC(=O)O SC-51828 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.4 C=COCC(C)C SC-19102 [2,0,0,0,0,0|0,0,2]=4 60 B6R0.4 CC(C)CCCO SC-67391 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.4 CCCNC(C)C SC-50047 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 CCCCNCC SC-47234 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 CCOCCCN SC-74768 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.2 COC(=O)C(=O)C(C)Br SC-49692 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.2 COC(=O)C(=O)C(C)C SC-26959 [1,1,0,0,0,0|0,0,1]=3 66 B8R0.2 COC(=O)C(Cl)C(C)=O SC-49511 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.2 COC(=O)[C@@H](N)C(C)C SC-10007 [1,1,0,0,0,0|0,0,0]=2 68 B8R0.19 CN\C(C)=C/C(=O)OC SC-50211 [1,1,0,0,0,0|0,0,2]=4 69 B8R0.19 COC(=O)CC(O)CN SC-35083 [1,1,0,0,0,0|1,0,0]=3 70 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.23 CC(C)OC(=O)[C@@H](C)O SC-89068 [1,1,0,0,0,0|1,0,0]=3 72 B8R0.34 CCP(=O)(Cl)OC(C)C SC-51925 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.7 CC(C)CCCCCBr SC-22592 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.7 CC(C)CCCCCO SC-51101 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.1 CCOC(=N)CCCBr SC-59653 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.1 CCOC(=N)CCCCl SC-39521 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.1 CCOC(=N)CCCO SC-65481 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.1 CCOC(=O)CCCBr SC-03228 [1,1,0,0,0,0|0,0,0]=2 79 B8R0.1 CCOC(=O)CN=C=O SC-21480 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.1 CCOC(=O)\C=C\CN SC-83092 [1,1,0,0,0,0|0,0,2]=4 81 B8R0.1 CCOCC(=O)OCC SC-15789 [1,1,0,0,0,0|0,0,0]=2 82 B8R0.3 CCOC(=O)C(C)CBr SC-43685 [1,1,0,0,0,0|1,0,0]=3 83 B8R0.3 CCOC(=O)C(C)CN SC-48372 [1,1,0,0,0,0|1,0,0]=3 84 B8R0.3 CCOC(=O)C(C)CN SC-51616 [1,1,0,0,0,0|1,0,0]=3 85 B8R0.3 CCOC(=O)C(N)CC SC-42327 [1,1,0,0,0,0|0,0,0]=2 86 B8R0.3 CCOC(=O)C(N)CS SC-42056 [1,1,0,0,0,0|1,0,0]=3 87 B8R0.3 CCOC(=O)C(O)CCl SC-43823 [1,1,0,0,0,0|1,0,0]=3 88 B8R0.3 CCOC(=O)[C@@H](N)CS SC-09469 [1,1,0,0,0,0|1,0,0]=3 89 B8R0.3 CCOC(=O)[C@H](N)CCl SC-42236 [1,1,0,0,0,0|1,0,0]=3 90 B8R0.14 CCOC(=O)C(C)(C)C SC-62247 [0,1,0,0,1,0|0,0,0]=2 91 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl SC-66541 [0,1,0,0,1,0|2,0,0]=4 92 B10R0.32 CCOC(=O)C(=O)CC(C)C SC-28952 [0,1,0,0,0,1|0,0,0]=2 93 B10R0.109 CCOC(=O)COC(C)(C)C SC-72827 [0,1,0,0,0,1|0,0,0]=2 94 B10R0.28 CC(C)(C)OC(=O)NCCN SC-20107 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.44 CC(C)OC(=O)CC(O)CN SC-35213 [0,2,0,0,0,0|1,0,0]=3 96 B10R0.35 CCOC(=O)C(Br)C(=O)CCl SC-31882 [0,2,0,0,0,0|1,0,1]=4 97 B10R0.35 CCOC(=O)C(N)C(O)CC SC-42001 [0,2,0,0,0,0|1,0,0]=3 98 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC SC-26104 [0,2,0,0,0,0|0,0,0]=2 99 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC SC-42106 [0,2,0,0,0,0|0,0,0]=2 100 B10R0.36 CCOC(=O)C(C)(C)C(C)O SC-14266 [0,2,0,0,0,0|1,0,0]=3 101 B10R0.36 CCOC(=O)C(C)(C)C(C)O SC-31880 [0,2,0,0,0,0|1,0,0]=3 102 B10R0.36 CCOC(=O)C(F)(F)C(C)=O SC-58110 [0,2,0,0,0,0|1,0,1]=4 103 B10R0.100 CCOC(=O)C(Br)C(F)(F)F SC-69792 [0,2,0,0,0,0|2,0,0]=4 104 B10R0.100 CCOC(=O)C(N)C(F)(F)F SC-69793 [0,2,0,0,0,0|2,0,0]=4 105 B10R0.100 CCOC(=O)[C@H](N)C(C)(C)C SC-13172 [0,2,0,0,0,0|0,0,0]=2 106 B10R0.101 CCOC(=O)C(CC)C(C)=O SC-17640 [0,2,0,0,0,0|1,0,1]=4 107 B10R0.2 CCOC(=O)CC(=O)COC SC-49485 [0,2,0,0,0,0|1,0,1]=4 108 B10R0.7 C=CC(C)(C)CC(=O)OCC SC-51208 [0,2,0,0,0,0|0,0,0]=2 109 B10R0.34 CCOC(=N)CC(OC)OC SC-39964 [0,2,0,0,0,0|1,0,0]=3 110 B10R0.34 CCOC(=N)CN(CC)CC SC-39484 [0,2,0,0,0,0|2,0,0]=4 111 B10R0.165 CC(C)OP(=O)(Cl)OC(C)C SC-77458 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.4 CC1CCCC(N)C1 SC-22240 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.4 C[C@H]1CCCC(=O)N1 SC-51761 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.40 NCC(=O)NC1CC1 SC-48661 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.40 O=C(CS)NC1CC1 SC-87625 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.36 CCCNCC1CC1 SC-17784 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.72 CC1(O)CCOCC1 SC-21971 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.11 CCN1CCCC1=O SC-17497 [1,0,0,1,0,0|1,0,0]=3 119 B8R1.11 O=C1CCCN1CBr SC-45741 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.11 O=C1CCCN1CCl SC-61208 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.37 CCOC(=N)C1CC1 SC-12466 [1,0,0,1,0,0|1,0,0]=3 122 B8R1.5 CC1CCCNC1=O SC-53234 [0,0,0,1,1,0|1,0,0]=3 123 B8R1.5 CN1CCCCC1=O SC-A3437 [0,0,0,1,1,0|2,0,0]=4 124 B8R1.5 NC1CCCCC1=O SC-45445 [0,0,0,1,1,0|2,0,0]=4 125 B10R1.30 CCN1C[C@H](C)NCC1=O SC-21830 [0,0,0,1,0,1|1,0,0]=3 126 B10R1.64 CC(C)CC1CCNC1=O SC-26336 [0,0,0,1,0,1|1,0,0]=3 127 B10R1.113 CC(C)C1CC(=O)CCN1 SC-35112 [0,0,0,1,0,1|2,0,0]=4 128 B10R1.138 CCCC(=O)OC[C@@H]1CO1 SC-06066 [0,0,0,1,0,1|2,0,0]=4 129 B10R1.212 CCOC(=O)C(Br)C1CC1 SC-52604 [0,1,0,1,0,0|0,0,0]=2 130 B10R1.461 CON(C)C(=O)C1CC1C SC-33424 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N SC-88735 [0,1,0,1,0,0|0,0,1]=3 132 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N SC-88734 [0,1,0,1,0,0|0,0,1]=3 133 B10R1.329 CC1(C)CC(=O)C=C(N)C1 SC-13256 [0,1,0,1,0,0|1,0,1]=4 134 B10R1.329 CC1(O)CC(=O)OC(=O)C1 SC-45458 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.329 CC1=CC(=O)CC(C)(C)C1 SC-74911 [0,1,0,1,0,0|1,0,1]=4 136 B10R2.61 O=C1CN2CCCC1C2 SC-32877 [0,0,0,2,0,0|2,0,0]=4 137 B6R0.3 CC(C)C(=O)O[SiH3] SC-65279 [1,0,0,0,1,0|0,1,0]=3 138 B6R0.3 CC(O)C(=O)CCl SC-52977 [1,0,0,0,1,0|2,0,0]=4 139 B6R0.3 CCC(=O)C(C)Br SC-52663 [1,0,0,0,1,0|1,0,0]=3 140 B6R0.3 CCC(=O)N(C)C SC-46819 [1,0,0,0,1,0|1,0,0]=3 141 B6R0.3 CN(C)C(=O)CN SC-48680 [1,0,0,0,1,0|2,0,0]=4 142 B6R0.3 COC(=O)C(C)Br SC-26723 [1,0,0,0,1,0|1,0,0]=3 143 B6R0.3 COC(=O)C(F)F SC-49092 [1,0,0,0,1,0|2,0,0]=4