0 B7R0.7 C=C(CCBr)CCBr W15711 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.7 C=C=CC(=O)OCC T71774 [0,0,0,0,0,0|0,0,3]=3 2 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 CCC[C@H](N)CCO AT20461 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.7 CCC[C@H](N)CCO I11080 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.7 CCC[C@H](N)CCO N12794 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 CCNC(=O)CCCl Y14703 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 CCNC(=O)CNC A12930 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.7 CCOC(=O)C#CBr C15771 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.7 CCOP(C)OCC 28742 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.7 COCC(=O)COC 36699 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 C=C=CC(=O)OC F20885 [1,0,0,0,0,0|0,0,3]=4 12 B6R0.1 CCC[C@@H](Br)CC D78429 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.1 CCC[C@H](N)CO C13482 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCNC(=O)CO 79517 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 CCO[C@@H](C)CO 91003 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CC[C@H](S)CCO D84734 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.1 CNC(=O)CCN C75423 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CNC(=O)CCO AC6610 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CNC(=O)CCS A11187 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 COC(=O)C#CI E72701 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.1 COC(=O)OCCl R10013 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 COC(=O)\C=C\I C10406 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.1 NNC(=O)CCO C77491 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 CCOCCCBr A11082 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.6 CCOCCON W15834 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 CC\C=C/CCI 98107 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.1 C#CCCC(=O)CCO N11427 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.1 C#CCNC(=O)COC AR3233 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.1 CCCC(=O)OCCO D81566 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.1 CCC[C@H](C)CCCO A12859 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.1 CCNC(=O)NCCN AR2426 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.1 CCOC(=O)CCC#N 82565 [0,1,0,0,0,0|0,0,1]=2 33 B8R0.1 CCOC(=O)CCC=O AB9300 [0,1,0,0,0,0|0,0,1]=2 34 B8R0.1 CCOC(=O)CCCO C91677 [0,1,0,0,0,0|0,0,0]=1 35 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,1,0,0,0,0|0,0,0]=1 37 B8R0.3 COCC(=O)N(C)OC W16959 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.3 CON(C)C(=O)CCBr W10377 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.5 CC(C)OC(=O)\C=C/I F19580 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,1,0,0,0,0|1,0,1]=3 43 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.5 COCC(=O)OC(C)C C11794 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.30 CCOP([O-])(=S)OCC C16033 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,0,1,0,0|0,0,2]=3 47 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,1,0,0|0,0,2]=3 48 B8R1.4 CC1CC(N)CCO1 D78849 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.4 CC1CC(N)CCO1 P16002 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.4 CC1CNCC(C)O1 F18860 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,1,0,0|1,0,0]=2 58 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,1,0,0|1,0,0]=2 59 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.6 CCOC1CC(N)C1 P13631 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.6 CCO[C@H]1C[C@@H](N)C1 P13633 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.8 NCCC1OCCO1 T71082 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.8 OCCC1OCCO1 W16263 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.11 O=C1CCC=C1CO E70389 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,0,0,1,0,0|1,0,1]=3 78 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.22 BrC1CCCCCC1 F53566 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.22 C[C@H]1CNCCCO1 72856 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.22 NC1=NCCCCC1 D85903 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.22 O=C1CCCCCN1 D94502 [0,0,0,1,0,0|1,0,0]=2 89 B8R1.22 O=C1CCCCNC1 50109 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.22 O=C1CCCOCC1 P12770 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.22 O=C1CCNCCN1 58405 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.22 O=C1CNCCNC1 77718 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.22 O=C1CNCCOC1 P20266 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.22 O=C1COCCCN1 71169 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.22 O=C1OCCCCO1 D93115 [0,0,0,1,0,0|1,0,0]=2 96 B8R1.37 CCCC(=O)C1CC1 P18081 [0,0,0,1,0,0|1,0,0]=2 97 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,0,0,1,0,0|1,0,0]=2 98 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.1 CCOC(N)=S A11227 [2,0,0,0,0,0|1,1,0]=4 101 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.2 C#CCOCC C90311 [2,0,0,0,0,0|0,0,2]=4 103 B5R0.2 CCCCON 31644 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.2 CNOCCN D97505 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.3 CCC(=O)CN S11993 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.3 CC[PH](=O)CC C77650 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.3 COC(=S)SC Y14680 [2,0,0,0,0,0|1,1,0]=4 109 B7R0.2 CC(C)NC(=O)CBr A12824 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.2 CC(C)NC(=O)CI A11046 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.2 CC(C)OC(=O)CN FD21588 [1,1,0,0,0,0|1,0,0]=3 112 B7R0.2 CC(C)OC(=O)NN A11099 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.2 COC(=O)CC(=N)N AC2408 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.2 COC(=O)C[C@H](C)N FD10418 [1,1,0,0,0,0|0,0,0]=2 115 B7R0.2 COC(=O)C[C@H](C)N S11691 [1,1,0,0,0,0|0,0,0]=2 116 B7R0.2 COC(C)CC(C)O 78061 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.3 C#CCCC(=O)OC AT21755 [1,1,0,0,0,0|0,0,1]=3 118 B7R0.3 C=C(CCl)OCOC P10081 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.3 C=CC(=O)NCCC AB9941 [1,1,0,0,0,0|0,0,2]=4 120 B7R0.3 C=CCCC(=O)OC AT23749 [1,1,0,0,0,0|0,0,1]=3 121 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|0,0,0]=2 122 B7R0.3 CNCCC(=O)OC AB11809 [1,1,0,0,0,0|0,0,0]=2 123 B7R0.3 COC(=O)C#CCO AB7534 [1,1,0,0,0,0|0,0,2]=4 124 B7R0.3 COC(=O)CCCI F19766 [1,1,0,0,0,0|0,0,0]=2 125 B7R0.3 COC(=O)\C=C\CCl AT12623 [1,1,0,0,0,0|0,0,2]=4 126 B7R0.3 COC(=O)\C=C\CN AT20770 [1,1,0,0,0,0|0,0,2]=4 127 B7R0.5 CCCC(Br)C(C)Br D81745 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.5 CCOC(=O)C(=N)N W18562 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.5 CCOC(=O)[C@H](C)O D75729 [1,1,0,0,0,0|0,0,0]=2 130 B7R0.5 CCSC(=O)[C@H](C)N C14826 [1,1,0,0,0,0|0,1,0]=3 131 B7R0.10 C=C(CCl)C(=O)OC 36746 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [1,1,0,0,0,0|0,0,0]=2 133 B7R0.10 CC[C@H](O)C(=O)OC 98375 [1,1,0,0,0,0|0,0,0]=2 134 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.10 COC(=O)[C@@H](O)CN D97235 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [1,1,0,0,0,0|1,0,0]=3 142 B7R0.11 CCOS(=O)(=O)CC A10945 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.11 CCS(=O)(=O)CCN AR2318 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.12 CCN(CCO)N=O T71710 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.1 CCCNCCCO AB4057 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.1 CNCCOCCO C70229 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.1 COCCOCCI AT13077 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.1 NCCCOCCO W11222 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.4 CCCNCC(C)C AC1640 [1,1,0,0,0,0|2,0,0]=4 150 B9R0.4 CC(=O)CC(=O)NCCO A11018 [0,2,0,0,0,0|1,0,1]=4 151 B9R0.4 CC(C)NC(=O)NCCN AR2165 [0,2,0,0,0,0|2,0,0]=4 152 B9R0.5 CCOC(=O)CCCC#N 84960 [0,2,0,0,0,0|0,0,0]=2 153 B9R0.5 CCOC(=O)CCCC=O N10598 [0,2,0,0,0,0|0,0,0]=2 154 B9R0.5 CCOC(=O)CCCCN 23836 [0,2,0,0,0,0|0,0,0]=2 155 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,2,0,0,0,0|0,0,1]=3 156 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,2,0,0,0,0|0,0,1]=3 157 B9R0.18 CCCOC(C)OCCC D93053 [0,2,0,0,0,0|1,0,1]=4 158 B9R0.18 O=C(NCCCl)NCCCl W10366 [0,2,0,0,0,0|2,0,0]=4 159 B9R0.34 CCOC(=O)CC(=N)NO Y14772 [0,2,0,0,0,0|1,0,1]=4 160 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,2,0,0,0,0|0,0,0]=2 161 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [0,2,0,0,0,0|0,0,0]=2 162 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [0,2,0,0,0,0|0,0,0]=2 163 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [0,2,0,0,0,0|1,0,1]=4 164 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,2,0,0,0,0|0,0,0]=2 165 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,2,0,0,0,0|0,0,1]=3 166 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,2,0,0,0,0|0,0,2]=4 167 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,2,0,0,0,0|0,0,0]=2 168 B9R0.48 CC(C)CNC(=O)CCN D86301 [0,2,0,0,0,0|2,0,0]=4 169 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,2,0,0,0,0|0,0,0]=2 170 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [0,2,0,0,0,0|1,0,0]=3 171 B9R0.48 CCOC(=O)NCC(=O)O D76651 [0,2,0,0,0,0|1,0,1]=4 172 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,2,0,0,0,0|0,0,0]=2 173 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,2,0,0,0,0|0,0,2]=4 174 B9R0.66 CCOS(=O)(=O)CCCCl AB22521 [0,2,0,0,0,0|1,0,0]=3 175 B9R0.6 CCOC(=O)C(=O)C(C)=O C15077 [0,2,0,0,0,0|0,0,2]=4 176 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br C10122 [0,2,0,0,0,0|0,0,1]=3 177 B9R0.6 CCOC(=O)[C@@H](C)C(=O)[O-] AC8075 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.6 CCOC(=O)[C@@H](C)C(N)=S W18275 [0,2,0,0,0,0|1,0,1]=4 179 B9R0.19 C#CC(C)(C)C(=O)OCC 20997 [0,2,0,0,0,0|0,0,2]=4 180 B9R0.19 CCOC(=O)C(C)(C)NC 78903 [0,2,0,0,0,0|1,0,0]=3 181 B9R0.23 CC(C)OC(=O)[C@@H](N)CO C13272 [0,2,0,0,0,0|1,0,0]=3 182 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.37 CC=C(C#N)C(=O)OCC D94304 [0,2,0,0,0,0|0,0,2]=4 184 B9R0.37 CCNC(=O)N(CC)CC A10889 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.37 CCOC(=O)C(CO)CO C13497 [0,2,0,0,0,0|1,0,0]=3 186 B9R0.37 CCOC(=O)\C(CCl)=N/O W19300 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.44 CCOC(=O)CC(C)(C)O O11777 [0,2,0,0,0,0|0,0,0]=2 188 B9R0.44 CCOC(=O)CS(=O)(=O)Cl A12640 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.44 CNNC(=O)OC(C)(C)C FD1328 [0,2,0,0,0,0|2,0,0]=4 190 B9R0.53 CC(C)OC(=O)OC(C)C C76030 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.53 CC(Cl)OC(=O)OC(C)Cl A10514 [0,2,0,0,0,0|1,0,0]=3 192 B9R0.15 CCCC(CCC)C(=O)O C76453 [0,2,0,0,0,0|1,0,1]=4 193 B9R0.15 CCCC(CCC)C(N)=O A12328 [0,2,0,0,0,0|1,0,1]=4 194 B9R0.59 C=CP(=O)(OCC)OCC 25059 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.59 CCOP(=O)(CBr)OCC F52841 [0,2,0,0,0,0|2,0,0]=4 196 B7R1.1 BrCC1=CCCC1 37275 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.1 CC[C@H]1CCCN1 F16886 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.1 COC1=CCCC1 D93350 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.2 C=C1CCC(=O)O1 T71516 [1,0,0,1,0,0|0,0,2]=4 200 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,0]=3 202 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,1,0,0|0,0,2]=4 203 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|1,0,0]=3 206 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|1,0,0]=3 208 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,1,0,0|1,0,0]=3 215 B7R1.3 C=C1CCNCC1 88914 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 C=C1CCOCC1 84295 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,1,0,0|0,1,0]=3 218 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.3 O=C1CSCCN1 23643 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.4 CC1=CCOC1=O T72100 [1,0,0,1,0,0|0,0,2]=4 221 B7R1.4 CN1CCNC1=O 81682 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [1,0,0,1,0,0|0,0,2]=4 224 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [1,0,0,1,0,0|0,0,2]=4 225 B7R1.4 NN1CCOC1=O S10190 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.4 N[C@H]1CCNC1=O 51276 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.4 N[C@H]1CCNC1=O 51277 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.4 N[C@H]1CCNC1=O 51278 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.4 N[C@H]1CCNC1=O F14678 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.4 N[C@H]1CCSC1=O O10218 [1,0,0,1,0,0|1,1,0]=4 231 B7R1.4 O=C1NCC[C@@H]1Br 78555 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.8 CO[C@H]1CCC1=O P17941 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|1,0,0]=3 235 B7R1.21 CCOC1(O)CC1 O10402 [1,0,0,1,0,0|0,0,2]=4 236 B7R1.22 CNC(=O)C1CC1 F14269 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.22 O=C(CO)C1CC1 E72699 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.24 C1CNCCOC1 80062 [1,0,0,1,0,0|1,0,1]=4 239 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,1,0,1,0,0|1,0,1]=4 246 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,1,0,1,0,0|1,0,0]=3 248 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,1,0,0|1,0,0]=3 252 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,1,0,1,0,0|1,0,1]=4 253 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [0,1,0,1,0,0|0,0,2]=4 254 B9R1.12 OCCOC1CCCC1 31903 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.15 CCN1CCNCC1=O W18927 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.33 NCCN1CCOC1=O C13660 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.33 O=C1CCCN1CCBr C77640 [0,1,0,1,0,0|1,0,0]=3 261 B9R1.33 O=C1NCCN1CCCl 57428 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,1,0,1,0,0|1,0,0]=3 263 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,1,0,1,0,0|1,0,0]=3 264 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,1,0,1,0,0|1,0,0]=3 267 B9R1.50 O=C1CNCCCNC1 77720 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.50 O=C1NCCCCCN1 W17640 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,1,0,0|1,0,0]=3 270 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.73 CCOC(=N)C1CCC1 C13282 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.73 O=C(CCCl)N1CCC1 72124 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.5 CN1CCCNCC1=O 37932 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.5 CN1CCCNCC1=O Y10016 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.5 CN1CCNCCC1=O Y10618 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.11 CC[C@H](C)C1=NCCS1 W15587 [0,1,0,1,0,0|1,1,0]=4 283 B9R1.37 CC1=C(O)C(=O)C[C@@H]1C D93041 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.132 CCN1OC[C@H](N)C1=O W15638 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.132 CN1CC[C@H](CO)C1=O N12775 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,1,0,1,0,0|1,0,0]=3 288 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.24 CCN1CCOS1(=O)=O P12691 [0,1,0,1,0,0|2,0,0]=4 291 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,2,0,0|2,0,0]=4 292 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,2,0,0|1,0,0]=3 293 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,2,0,0|1,0,0]=3 294 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,2,0,0|1,0,0]=3 295 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,2,0,0|1,0,0]=3 296 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,2,0,0|1,0,0]=3 297 B9R2.5 O=C1CCCC12CC2 F51719 [0,0,0,2,0,0|1,0,0]=3 298 B9R2.5 O=C1NCCC12CC2 33676 [0,0,0,2,0,0|1,0,0]=3 299 B9R2.6 CC12CCCCC1O2 T71914 [0,0,0,2,0,0|1,0,1]=4