0 B8R0.8 C=C(C)C(=O)OCCF SBB085807 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 CCCCC(=O)N(C)C SBB007992 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.3 C=C(CC)CCCC SBB060475 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.3 C=CCNC(=O)CCl SBB085845 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 CCC(=O)OCCCl SBB060315 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.3 CCCNC(=O)CCl SBB016586 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.3 CCCOC(=O)CCl SBB060962 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 CCCOC(=O)CS SBB061003 [1,0,0,0,0,0|2,1,0]=4 11 B7R0.3 CCN(C)CCCO SBB046555 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.3 NNC(=O)CCCO SBB028199 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.3 O=C(CCl)OCCCl SBB061273 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 CCCOCC(C)O SBB061007 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 C=C(C)C(=O)OCC SBB061402 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 CCCC(=O)N(C)C SBB008345 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.5 CCCC(C)C(C)O SBB061491 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 CCOC(=O)C(C)Br SBB058608 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 CCOC(=O)C(C)N SBB004040 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 CCOC(=O)C(F)Br SBB070746 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.5 CCOC(=O)C(F)I SBB097841 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.5 CN(C)C(=O)CCN SBB085472 [1,0,0,0,0,0|3,0,0]=4 24 B9R0.3 CCCOC(=O)C(C)(Cl)Cl SBB056564 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.3 O=C(NCCO)C(F)(F)F SBB057725 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.7 CC(C)COC(=O)C(C)C SBB061112 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.7 CC(C)COC(=O)C(C)Cl SBB061232 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.7 CC(C)COC(=O)C(C)O SBB061172 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.7 CC(S)C(=O)NCC(=O)O SBB057668 [0,1,0,0,0,0|0,1,1]=3 30 B9R0.47 CCCCNC(=O)N(C)C SBB008135 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.47 CCCCOC(=O)C(C)Cl SBB056574 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.47 CCCCOC(=O)C(C)O SBB061171 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.5 NC1CCCCNC1=O SBB056282 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,0,0,1,0,0|1,1,0]=3 35 B9R1.23 CN1CC(CO)CC1=O SBB054853 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.40 CC1(C)NCCNC1=O SBB010254 [0,0,0,1,0,0|2,0,0]=3 37 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.1 CCCC(=O)OC SBB061104 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 CCNC(=O)CBr SBB051008 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.1 CCNC(=O)CCl SBB008200 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.1 CCNC(C)CO SBB046531 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.1 CCOC(=O)CBr SBB060995 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 CCOC(=O)CC SBB060312 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.1 COC(=O)CCBr SBB070709 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.1 COC(=O)CCN SBB071679 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.1 OCNC(=O)CCl SBB004273 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 CC(=O)NCCCl SBB008165 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.4 CC(=O)NCCN SBB028176 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.4 CC(=O)NCCO SBB007954 [2,0,0,0,0,0|0,0,0]=2 51 B6R0.4 CC(=O)OCCCl SBB058505 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.4 CC(C)NCCN SBB048119 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 CC(C)NCCO SBB056428 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.4 CCC#CC(C)O SBB067141 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.4 CCCCC(=O)O SBB053585 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.4 CCCCC(C)=O SBB061262 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.4 CCCCC(C)O SBB061290 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.4 CCCNC(N)=O SBB028174 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.4 CCCOC(C)=O SBB060305 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.4 CCOCC(C)O SBB061006 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.4 NCCCC(=O)O SBB028179 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 O=C(O)CCCBr SBB065986 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.6 CCCCCCO SBB059899 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 CCCNCCC SBB059762 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.6 CCCOCCO SBB061379 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.6 CCCSCCO SBB058605 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.6 CC\C=C/CCO SBB007739 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.6 NCCNCCO SBB028183 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.6 OCCNCCO SBB059779 [2,0,0,0,0,0|0,0,1]=3 70 B6R0.6 OCCSCCO SBB060117 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.3 CC(C)C(=O)NN SBB030401 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.3 CCC(=O)C(C)=O SBB061626 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.3 COC(=O)C(C)C SBB061111 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.3 COC(=O)C(C)N SBB007634 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.1 CCCC(=O)OCCCl SBB061294 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.1 CCCCC(=O)OCC SBB061113 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.1 CCCNC(=O)CC#N SBB049417 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.1 CCCOC(=O)CCC SBB061105 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.1 CCOC(=O)CCCBr SBB070757 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.1 CCOC(=O)CCCN SBB003878 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.1 CCOC(=O)NCCO SBB079074 [1,1,0,0,0,0|0,0,0]=2 82 B8R0.1 N#CCC(=O)NCCO SBB049444 [1,1,0,0,0,0|0,0,1]=3 83 B8R0.1 O=C(CCS)OCCO SBB008479 [1,1,0,0,0,0|1,0,0]=3 84 B8R0.6 CCCCCC(=O)CC SBB060388 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.6 CCCCNC(=O)CCl SBB010319 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.6 CCCCOC(=O)CC SBB060578 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.6 COCCNC(=O)CCl SBB038704 [1,1,0,0,0,0|1,0,0]=3 88 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.9 CCC(=O)OCC(C)C SBB060974 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.19 CCC(=O)OC(C)CC SBB061103 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.7 CC(C)CNCCCO SBB301242 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.7 CCCCNCC(C)O SBB059782 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.28 CC(O)CNCC(C)O SBB058768 [1,1,0,0,0,0|0,0,1]=3 96 B8R0.23 CC(C)OC(=O)[C@@H](C)N SBB070143 [1,1,0,0,0,0|2,0,0]=4 97 B10R0.28 CC(C)(C)OC(=O)NCCBr SBB096602 [0,1,0,0,0,1|2,0,0]=4 98 B10R0.28 CC(C)(C)OC(=O)NCCN SBB028340 [0,1,0,0,0,1|2,0,0]=4 99 B10R0.28 CC(C)(C)OC(=O)NCCO SBB049624 [0,1,0,0,0,1|1,0,0]=3 100 B10R0.28 CC(C)(C)OC(=O)NCCS SBB089310 [0,1,0,0,0,1|1,1,0]=4 101 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.1 OCC1CC(O)CN1 SBB014445 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [1,0,0,1,0,0|0,0,0]=2 104 B8R1.3 O=C1CCC(O)CC1 SBB056283 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.5 CC1CCCCC1=O SBB058517 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.5 CC1NCCNC1=O SBB080100 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.5 CC1SCCNC1=O SBB111924 [1,0,0,1,0,0|0,1,0]=3 108 B8R1.5 NC1CCCNC1=O SBB012739 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.22 O=C1CCCCCC1 SBB060075 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.22 O=C1CCCCCN1 SBB058658 [1,0,0,1,0,0|1,0,0]=3 111 B8R1.22 O=C1CCNCCN1 SBB056241 [1,0,0,1,0,0|1,0,0]=3 112 B8R1.40 O=C(CCl)NC1CC1 SBB016595 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.4 CC1CNCC(C)O1 SBB040955 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [1,0,0,1,0,0|1,0,1]=4