0 B6R0.1 C=C=CC(=O)OC F20885 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCNC(=O)CO 79517 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 CNC(=O)CCN C75423 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CNC(=O)CCO AC6610 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CNC(=O)CCS A11187 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 COC(=O)C#CI E72701 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 COC(=O)OCCl R10013 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 COC(=O)\C=C\I C10406 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 NNC(=O)CCO C77491 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C=C(C)CON F31248 [1,0,0,0,0,0|2,1,0]=4 11 B5R0.1 CCC[C@H](C)N P14575 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CCC[C@H](C)N Y10887 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 CNC[C@H](C)O AC1157 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CNC[C@H](C)O N12528 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 COC[C@H](C)Br 78860 [1,0,0,0,0,0|1,1,1]=4 17 B5R0.1 COC[C@H](C)N 25526 [1,0,0,0,0,0|1,1,1]=4 18 B5R0.1 COC[C@H](C)N D95458 [1,0,0,0,0,0|1,1,1]=4 19 B5R0.1 COC[C@H](C)N W17998 [1,0,0,0,0,0|1,1,1]=4 20 B5R0.1 N#CCC(=O)[O-] D70707 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 O=C(O)\C=C\I W15430 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 CCC(=O)CN S11993 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 CC[PH](=O)CC C77650 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.3 COC(=S)NN Y13479 [1,0,0,0,0,0|2,1,0]=4 28 B5R0.3 COC(=S)SC Y14680 [1,0,0,0,0,0|0,1,0]=2 29 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|1,1,1]=4 31 B7R0.2 COC(=O)CC(=N)N AC2408 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.2 COC(C)CC(C)O 78061 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.3 C#CCCC(=O)OC AT21755 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.3 C=CC(=O)NCCC AB9941 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.3 C=CCCC(=O)OC AT23749 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.3 CCC(=O)OCCO A11774 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.3 CNCCC(=O)OC AB11809 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.3 COC(=O)C#CCO AB7534 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.3 COC(=O)CCCI F19766 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.3 COC(=O)\C=C\CN AT20770 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.7 C=C=CC(=O)OCC T71774 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.7 CCNC(=O)CNC A12930 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.7 CCOC(=O)C#CBr C15771 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.7 COCC(=O)COC 36699 [0,1,0,0,0,0|0,1,0]=2 52 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.10 COC(=O)[C@@H](O)CN D97235 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.1 COC1=CCCC1 D93350 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.2 O=C1C=C(Br)CO1 W10959 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 O=C1C=C(O)CO1 F21287 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 O=C1COC(=O)N1 F20602 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.3 O=C1C=CCOC1 O10790 [0,0,0,1,0,0|1,1,1]=4 91 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,1,0,0|1,1,0]=3 92 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,1,0,0|1,0,0]=2 93 B7R1.3 O=C1CSCCN1 23643 [0,0,0,1,0,0|1,0,0]=2 94 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.4 CN1CCNC1=O 81682 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|1,1,0]=3 98 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.22 CNC(=O)C1CC1 F14269 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.22 O=C(CO)C1CC1 E72699 [0,0,0,1,0,0|3,0,0]=4 101 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.1 C\C=C(\C)Br D93160 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|1,0,0]=3 104 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|1,0,0]=3 105 B4R0.1 O=C([O-])C[O-] 47204 [2,0,0,0,0,0|0,1,1]=4 106 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.2 COCCI A50601 [2,0,0,0,0,0|1,0,1]=4 108 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,1,0,0,0,0|1,0,1]=4 111 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,1,0,0,0,0|1,0,1]=4 113 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.2 CC(C)CC(N)=O C75541 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|1,0,0]=3 116 B6R0.2 NC(=O)CC(=O)O F20599 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.3 C=C[C@H](C)C(=O)O T72590 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.3 C=C[C@H](N)C(=O)O 33352 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.3 C=C[C@H](N)C(=O)O 39549 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.3 CCN(C)C(C)=O F19909 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.3 C[C@@H](CN)C(=O)O F15101 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.3 C[C@@H](CN)C(=O)O F15242 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.3 C[C@H](C#N)C(=O)O C75969 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.3 C[C@H](ON)C(=O)O AT14512 [1,1,0,0,0,0|1,1,0]=4 128 B6R0.3 C[C@H](ON)C(=O)O Y13476 [1,1,0,0,0,0|1,1,0]=4 129 B6R0.3 NC[C@H](F)C(=O)O T73016 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.3 NC[C@H](O)C(=O)O O10173 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.4 C#CCNC(C)=O 78861 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|1,0,0]=3 139 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|0,1,0]=3 141 B6R0.4 COC=CC(=O)O D97266 [1,1,0,0,0,0|0,1,1]=4 142 B6R0.4 NCCCC(N)=O C72206 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.4 O=C(O)\C=C\CCl 11303 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.4 O=C([O-])CNCO F20522 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.5 CCCP(=O)(O)O C15829 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.9 C\N=C(/NC)SC 66736 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,2,0,0,0,0|1,0,1]=4 148 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [0,2,0,0,0,0|2,0,0]=4 149 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [0,2,0,0,0,0|1,0,0]=3 150 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,2,0,0,0,0|2,0,0]=4 152 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,2,0,0,0,0|2,0,0]=4 153 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,2,0,0,0,0|1,0,0]=3 154 B8R0.5 COCC(=O)OC(C)C C11794 [0,2,0,0,0,0|0,1,0]=3 155 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,2,0,0,0,0|1,0,0]=3 156 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,2,0,0,0,0|1,0,0]=3 157 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,2,0,0,0,0|1,0,0]=3 158 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,2,0,0,0,0|2,0,0]=4 159 B8R0.23 CN(C)CC(=O)N(C)O T72789 [0,2,0,0,0,0|2,0,0]=4 160 B8R0.24 CNC(=O)CS(C)(=O)=O 31518 [0,2,0,0,0,0|1,0,1]=4 161 B8R0.24 COC(=O)CC(C)(C)Br A11663 [0,2,0,0,0,0|1,0,0]=3 162 B8R0.24 COC(=O)CC(C)(C)O C75882 [0,2,0,0,0,0|1,0,0]=3 163 B8R0.24 COC(=O)CC(F)(F)F T71999 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.24 COC(=O)CS(N)(=O)=O W19134 [0,2,0,0,0,0|1,0,1]=4 165 B8R0.24 COC(=O)NC(C)(C)C A12376 [0,2,0,0,0,0|2,0,0]=4 166 B8R0.1 C#CCNC(=O)COC AR3233 [0,2,0,0,0,0|1,0,1]=4 167 B8R0.1 CCCC(=O)OCCO D81566 [0,2,0,0,0,0|1,0,0]=3 168 B8R0.1 CCOC(=O)CCC#N 82565 [0,2,0,0,0,0|1,0,1]=4 169 B8R0.1 CCOC(=O)CCC=O AB9300 [0,2,0,0,0,0|1,0,1]=4 170 B8R0.1 CCOC(=O)CCCO C91677 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [0,2,0,0,0,0|1,0,1]=4 173 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,2,0,0,0,0|1,0,0]=3 174 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,2,0,0,0,0|1,0,0]=3 175 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,2,0,0,0,0|1,0,0]=3 176 B8R0.3 COC(=O)[C@H](C)N=C=O T72257 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.3 COCC(=O)N(C)OC W16959 [0,2,0,0,0,0|0,1,0]=3 178 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,2,0,0,0,0|0,1,0]=3 179 B8R0.3 CON(C)C(=O)CCBr W10377 [0,2,0,0,0,0|2,0,0]=4 180 B8R0.6 COC(=O)COCCO D84694 [0,2,0,0,0,0|0,1,0]=3 181 B8R0.6 COC\C=C\C(=O)OC P17071 [0,2,0,0,0,0|0,1,0]=3 182 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.8 CN(C)C(=O)CCCCl S12226 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.13 C#CC(C)(C)C(=O)OC AB9700 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.13 COC(=O)C(C)(C)C=O C72545 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.13 COC(=O)[C@@](C)(N)CO D77168 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.20 CC[C@@H](CO)C(=O)OC AB9727 [0,2,0,0,0,0|1,0,0]=3 188 B8R0.20 CC[C@H](C#N)C(=O)OC Y14710 [0,2,0,0,0,0|1,0,0]=3 189 B8R0.20 COC(=O)C(CN)CN N13257 [0,2,0,0,0,0|2,0,0]=4 190 B6R1.2 C=C1CCNC1 F13598 [1,0,0,1,0,0|2,0,0]=4 191 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|1,0,1]=4 192 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,1,0,0|1,0,1]=4 193 B6R1.2 O=C1CNCN1 25530 [1,0,0,1,0,0|2,0,0]=4 194 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|0,0,2]=4 195 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|1,0,0]=3 196 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|1,0,0]=3 197 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|1,0,0]=3 198 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.10 CC1(N)CSC1 P16047 [1,0,0,1,0,0|1,0,1]=4 200 B6R1.10 CC1(O)CSC1 P15377 [1,0,0,1,0,0|0,0,2]=4 201 B6R1.11 O=C([O-])[C@@H]1CO1 50549 [1,0,0,1,0,0|0,1,1]=4 202 B6R1.11 O=C([O-])[C@@H]1CO1 50593 [1,0,0,1,0,0|0,1,1]=4 203 B6R1.6 CSC1CNC1 37205 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.1 C#C[C@@H]1COC(=O)N1 66220 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,1,0,1,0,0|1,0,1]=4 217 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.40 COC(=O)CC1CC1 28012 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.51 CC1(C)COC(=O)C1 82056 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.51 CC1(C)COC(=O)N1 38028 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,1,0,0|0,1,1]=4 242 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,1,0,1,0,0|1,1,0]=4 247 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|1,1,0]=4 256 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|1,1,0]=4 259 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|1,0,0]=3 260 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.22 O=C1CCCCCN1 D94502 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.22 O=C1CCCCNC1 50109 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,1,0,0|1,1,0]=4 270 B8R1.22 O=C1CCNCCN1 58405 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.22 O=C1CNCCNC1 77718 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.22 O=C1CNCCOC1 P20266 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.22 O=C1COCCCN1 71169 [0,1,0,1,0,0|1,1,0]=4 274 B8R1.22 O=C1OCCCCO1 D93115 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.38 CCC(=O)C1COC1 D79147 [0,1,0,1,0,0|1,1,0]=4 276 B8R1.38 CNC(=O)C1CNC1 P20515 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.38 COC(=O)C1COC1 81275 [0,1,0,1,0,0|0,1,0]=3 278 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.37 CCCC(=O)C1CC1 P18081 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,1,0,1,0,0|0,1,0]=3 283 B8R1.54 C[C@H](Br)C(=O)C1CC1 P15980 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.11 N#C[C@H]1COCC1=O P13840 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|2,0,0]=4 287 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|2,0,0]=4 288 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|2,0,0]=4 289 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|1,1,0]=4 290 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,2,0,0|2,0,0]=4