0 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.28 C=C(C)\C=C\OC(C)=O SC-31173 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.28 CN(C)CCCC(=N)N SC-42054 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.4 C#CCCOC(=O)Cl SC-53146 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 C#CCCOC(C)=O SC-50550 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.4 C=C(C)CCCCBr SC-31361 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 C=C(C)CCCCO SC-32201 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CC(=O)NCCCN SC-51489 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCCCCC(C)O SC-81258 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 COC\C=C/C(C)=O SC-66315 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 O=C(O)CCCCCl SC-57902 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.1 CC(C)CCCC(C)NN SC-38599 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 CC(=O)C(=O)OCC(C)C SC-26296 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.7 CC(C)OC[C@H](N)C(=O)O SC-68757 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.56 C=C(C)CCC[Si](C)(C)C SC-34201 [0,1,0,0,0,0|2,1,0]=4 16 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-15132 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.56 CC(C)(C)OCCC(=O)O SC-62531 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.56 CC(F)(F)CCCC(=O)O SC-34273 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SC-53670 [0,0,0,1,0,0|2,0,0]=3 20 B7R0.6 CC(=O)CCN(C)C SC-53808 [0,0,0,0,1,0|1,0,0]=2 21 B7R0.6 CC(=O)OCC(=O)Cl SC-17748 [0,0,0,0,1,0|2,0,1]=4 22 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,1,0|2,0,1]=4 23 B7R0.6 CC(C)CCC(C)O SC-53086 [0,0,0,0,1,0|0,0,2]=3 24 B7R0.6 CN(C)CCC(=N)N SC-40941 [0,0,0,0,1,0|3,0,0]=4 25 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,1,0|2,0,0]=3 26 B7R0.6 CN(C)CCN(C)C SC-98070 [0,0,0,0,1,0|3,0,0]=4 27 B9R0.55 CN(C)CCNCC(=O)O SC-48750 [0,0,0,0,0,1|3,0,0]=4 28 B6R0.4 C=C(C)CCCBr SC-32900 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 C=C(C)CCCO SC-14313 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 C=COCC(C)C SC-19102 [2,0,0,0,0,0|0,0,1]=3 31 B6R0.4 CC(=O)NCCCl SC-49821 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 CC(=O)OCCO SC-95931 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 CC(C)CCCO SC-67391 [2,0,0,0,0,0|0,0,2]=4 34 B6R0.4 CCCNC(C)C SC-50047 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.4 CCCOC(=O)Cl SC-19101 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.4 NC(=O)CCCO SC-12258 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.4 O=C(Cl)OCCF SC-53156 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 O=C(O)CCCBr SC-02994 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.6 CCCCNCC SC-47234 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.6 CCOCCCN SC-74768 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.6 COCCCC=O SC-88270 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.6 C=CCCC[C@@H](C)CO SC-31639 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.6 C=CCCC[C@H](C)CO SC-31524 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.6 CNCCCC(=O)NC SC-51967 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.7 CC(C)CCCCCBr SC-22592 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.7 CC(C)CCCCCO SC-51101 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.7 CCCCCOC(=O)Cl SC-18359 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.7 CCOCCOC(=O)Cl SC-51564 [1,1,0,0,0,0|1,0,0]=3 49 B8R0.7 COCCCOC(C)=O SC-26578 [1,1,0,0,0,0|0,0,0]=2 50 B8R0.8 CCCCC(Br)C(=O)Cl SC-66293 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.21 CCCCOP(C)(=O)Cl SC-51943 [1,1,0,0,0,0|1,0,0]=3 53 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [0,1,0,0,1,0|1,0,1]=4 54 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,1,0,0,1,0|1,0,0]=3 55 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,1,0,0,1,0|1,0,0]=3 56 B8R0.29 CC(F)(F)CCC(=O)O SC-34612 [0,1,0,0,1,0|2,0,0]=4 57 B10R0.31 CC(C)(C)CC(N)CC(N)=O SC-59259 [0,2,0,0,0,0|2,0,0]=4 58 B10R0.70 CC(C)CC(CN)CC(=O)O SC-27419 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.1 O=C1N[C@H](CO)CO1 SC-33358 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.4 C[C@H]1CCCC(=O)N1 SC-51761 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.6 COCC1CC(=O)C1 SC-65908 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.7 CC(=O)C1CCCC1 SC-34558 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.19 CC1(C)CONC1=O SC-83064 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.22 CC1OCCCCO1 SC-26173 [1,0,0,1,0,0|0,0,2]=4 65 B8R1.34 CC(=O)NC1CNC1 SC-48410 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.35 CC(=O)OCC1CO1 SC-74435 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.72 CC1(O)CCOCC1 SC-21971 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,0,0,1,1,0|0,0,0]=2 69 B8R1.3 CC1CCC(=S)CC1 SC-42109 [0,0,0,1,1,0|0,1,0]=3 70 B8R1.3 CC1CCC(N)CC1 SC-47816 [0,0,0,1,1,0|1,0,1]=4 71 B8R1.3 CN1CCC(=S)CC1 SC-42847 [0,0,0,1,1,0|1,1,0]=4 72 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 SC-49594 [0,0,0,1,1,0|1,0,1]=4 73 B8R1.3 O=C1CC[C@@H](O)CN1 SC-69872 [0,0,0,1,1,0|2,0,0]=4 74 B8R1.3 O=C1CC[C@H](O)CN1 SC-69873 [0,0,0,1,1,0|2,0,0]=4 75 B8R1.23 CC(=O)N1CC(O)C1 SC-93602 [0,0,0,1,1,0|2,0,0]=4 76 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,0,0,1,1,0|2,0,0]=4 77 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,1,1,0|2,0,0]=4 78 B8R1.77 [C@H]1(C(N)=O)CC1(C)C SC-06657 [0,0,0,1,1,0|1,0,0]=3 79 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 SC-49020 [0,0,0,1,0,1|1,0,1]=4 80 B10R1.113 CC(C)C1CC(=O)CCN1 SC-35112 [0,0,0,1,0,1|1,0,0]=3 81 B10R1.113 CC1CCCC(C(=O)O)C1 SC-52381 [0,0,0,1,0,1|2,0,0]=4 82 B10R1.13 CC(=O)C1CCN(C)CC1 SC-48905 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.13 CC(=O)N1CCC(Cl)CC1 SC-69628 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.13 CC(=O)N1CCC(I)CC1 SC-52662 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.13 CC(=O)N1CCC(N)CC1 SC-23551 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.13 CC(C)N1CCC(=O)CC1 SC-05143 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.127 CC(C)CCOC1CNC1 SC-36547 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.329 CC1(C)CC(=O)C=C(N)C1 SC-13256 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.329 CC1(O)CC(=O)OC(=O)C1 SC-45458 [0,1,0,1,0,0|1,0,1]=4 90 B10R1.329 CC1=CC(=O)CC(C)(C)C1 SC-74911 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 SC-52397 [0,1,0,1,0,0|1,0,0]=3 92 B10R2.357 O=C(O)C1CC2CC2C1 SC-25088 [0,0,0,2,0,0|2,0,0]=4 93 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,2,0|1,0,1]=4 94 B6R0.2 CC(C)CC(=N)N SC-40541 [0,0,0,0,2,0|2,0,0]=4 95 B6R0.2 CC(C)CC(C)Br SC-26522 [0,0,0,0,2,0|1,0,1]=4 96 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,2,0|2,0,0]=4 97 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,2,0|2,0,0]=4 98 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,2,0|2,0,0]=4 99 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [0,0,0,0,2,0|2,0,0]=4