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|1,0,3]=4 2 B6R0.1 CCNC(=O)CO 79517 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CNC(=O)CCN C75423 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CNC(=O)CCO AC6610 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 CNC(=O)CCS A11187 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 COC(=O)C#CI E72701 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 COC(=O)OCCl R10013 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 COC(=O)\C=C\I C10406 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CNCC(=O)[O-] F20742 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C\C(I)=C/CI AC8880 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 C\C(I)=C\CI AC3855 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 O=C(O)\C=C\I W15430 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 NC\C=C\CN E70437 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.3 C=C[C@@H](N)CO 52208 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 C=C[C@@H](N)CO 52209 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 C=C[C@@H](N)CO 52211 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.3 CCC(=O)CN S11993 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 CC[PH](=O)CC C77650 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.3 COC(=S)SC Y14680 [1,0,0,0,0,0|2,1,0]=4 22 B7R0.2 CC(C)NC(=O)CBr A12824 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.2 CC(C)NC(=O)CI A11046 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.2 CC(C)OC(=O)CN FD21588 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.2 COC(=O)CC(=N)N AC2408 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.2 COC(=O)C[C@H](C)N FD10418 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.2 COC(=O)C[C@H](C)N S11691 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.3 C=CCCC(=O)OC AT23749 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.3 CCC(=O)OCCO A11774 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.3 CNCCC(=O)OC AB11809 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.3 COC(=O)C#CCO AB7534 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.3 COC(=O)CCCI F19766 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.3 COC(=O)\C=C\CN AT20770 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,0,0,0,0|1,0,1]=3 38 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.7 C=C=CC(=O)OCC T71774 [0,1,0,0,0,0|0,0,2]=3 40 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.7 CCNC(=O)CNC A12930 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.7 CCOC(=O)C#CBr C15771 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.7 COCC(=O)COC 36699 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.10 C=C(CCl)C(=O)OC 36746 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.10 CC[C@H](O)C(=O)OC 98375 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.11 CCOS(=O)(=O)CC A10945 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.1 BrCC1=CC=NO1 33595 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.1 BrCC1=CCCC1 37275 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.1 BrCC1=NOC=C1 71749 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.1 CCC1=CNN=C1 72604 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.1 CCC1=NN=CO1 C10407 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.1 CNC1=NNC=C1 72540 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.1 CNC1=NOC=C1 72015 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.1 CNC1=NOC=C1 72539 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.1 COC1=CCCC1 D93350 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.1 COC1=NNC=C1 D79536 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.1 ClCC1=CC=CS1 79790 [0,0,0,1,0,0|1,1,1]=4 60 B7R1.1 ClCC1=CC=NO1 33348 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.1 ClCC1=NOC=C1 F13567 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.1 NCC1=CC=CN1 25931 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 NCC1=CC=NO1 33343 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.1 NCC1=CC=NO1 33364 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.1 NCC1=CNC=C1 F12967 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.1 NCC1=NNC=C1 36190 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.1 NCC1=NOC=C1 W10075 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.1 O=CC1=CCC=C1 77835 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.1 OCC1=CC=NO1 33580 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 OCC1=CC=NS1 53001 [0,0,0,1,0,0|2,1,0]=4 71 B7R1.2 C=C1CCC(=O)O1 T71516 [0,0,0,1,0,0|1,0,1]=3 72 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,1,0,0|1,0,0]=2 73 B7R1.2 CC1=CNC(=O)N1 O11257 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.2 CC1=CNC(=O)S1 C90545 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.2 CC1=CSC(Br)=C1 C15930 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.2 CC1=CSC(C)=C1 O10605 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.2 CC1=NC(=O)NN1 79696 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,1,0,0|1,0,1]=3 79 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,1,0,0|1,0,2]=4 80 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|1,0,1]=3 81 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|1,0,1]=3 82 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 NC1=CC(=O)CC1 90005 [0,0,0,1,0,0|1,0,0]=2 87 B7R1.2 NC1=CC(=O)NO1 D73552 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.2 NC1=NC(=O)CO1 C73385 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.2 O=C1C=C(Br)CO1 W10959 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.2 O=C1C=C(I)CC1 A12694 [0,0,0,1,0,0|1,0,0]=2 92 B7R1.2 O=C1C=C(O)CO1 F21287 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,1,0,0|1,0,2]=4 94 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.2 O=C1COC(=O)N1 F20602 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.3 BrC1=CCOCC1 C90119 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.3 FC1=CCNCC1 P20375 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,1,0,0|1,0,1]=3 101 B7R1.3 O=C1C=CCCN1 88830 [0,0,0,1,0,0|1,0,0]=2 102 B7R1.3 O=C1C=CCOC1 O10790 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.3 O=C1C=CNN=C1 D87946 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.3 O=C1CSCCN1 23643 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.4 CC1=C(C)NC=C1 F20873 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.4 CN1C=CNC1=O F12570 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.4 CN1CCNC1=O 81682 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.4 N[C@H]1CCNC1=O 51276 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.4 N[C@H]1CCNC1=O 51277 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.4 N[C@H]1CCNC1=O 51278 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.4 N[C@H]1CCNC1=O F14678 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.4 N[C@H]1CCSC1=O O10218 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.4 N[C@H]1CONC1=O FD3007 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.6 N#CC=C1CCC1 P11568 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|1,0,1]=3 122 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|1,0,2]=4 123 B7R1.22 CNC(=O)C1CC1 F14269 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.22 O=C(CO)C1CC1 E72699 [0,0,0,1,0,0|1,0,2]=4 125 B4R0.1 C=C[C@H](C)N 81150 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 C=C[C@H](C)N C77628 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 C=C[C@H](C)N N11410 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 C\C=C(\C)Br D93160 [2,0,0,0,0,0|1,0,0]=3 130 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.1 O=C([O-])C[O-] 47204 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.2 C=C\C=C/C T71862 [2,0,0,0,0,0|0,0,1]=3 134 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.2 N\C=C\C=O W10858 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,1,0,0,0,0|0,0,0]=2 138 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,1,0,0,0,0|0,0,0]=2 139 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,1,0,0,0,0|0,0,0]=2 140 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,1,0,0,0,0|0,0,0]=2 141 B6R0.3 CCN(C)C(C)=O F19909 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.4 CC(=O)CCC=O P17049 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|0,0,2]=4 144 B6R0.4 CC(=O)OCCN W11955 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.4 COC=CC(=O)O D97266 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.4 O=C(O)\C=C\CCl 11303 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.6 CC\C=C/CCI 98107 [1,1,0,0,0,0|0,0,1]=3 148 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [0,2,0,0,0,0|1,0,1]=4 150 B8R0.5 CC(C)OC(=O)\C=C/I F19580 [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|0,0,1]=3 152 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,2,0,0,0,0|2,0,0]=4 153 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,2,0,0,0,0|1,0,1]=4 154 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,2,0,0,0,0|0,0,2]=4 155 B8R0.5 COCC(=O)OC(C)C C11794 [0,2,0,0,0,0|1,0,1]=4 156 B8R0.1 CCCC(=O)OCCO D81566 [0,2,0,0,0,0|0,0,2]=4 157 B8R0.1 CCNC(=O)NCCN AR2426 [0,2,0,0,0,0|1,0,1]=4 158 B8R0.1 CCOC(=O)CCC#N 82565 [0,2,0,0,0,0|1,0,1]=4 159 B8R0.1 CCOC(=O)CCC=O AB9300 [0,2,0,0,0,0|1,0,1]=4 160 B8R0.1 CCOC(=O)CCCO C91677 [0,2,0,0,0,0|0,0,2]=4 161 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,2,0,0,0,0|1,0,0]=3 162 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,2,0,0,0,0|0,0,2]=4 163 B8R0.3 COCC(=O)N(C)OC W16959 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.3 CON(C)C(=O)CCBr W10377 [0,2,0,0,0,0|2,0,0]=4 165 B8R0.6 COC\C=C\C(=O)OC P17071 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,2,0,0,0,0|0,0,2]=4 167 B8R0.9 CC(=O)NNC(=O)CCl A12492 [0,2,0,0,0,0|2,0,0]=4 168 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,2,0,0,0,0|2,0,0]=4 169 B8R0.14 C\C=N\[S@@](=O)C(C)(C)C C90663 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.13 CCC(=O)C(C)(C)C=O 31867 [0,2,0,0,0,0|1,0,1]=4 171 B6R1.2 CC1=CC=CN1 23756 [1,0,0,1,0,0|1,0,1]=4 172 B6R1.2 CC1=CNC=C1 59365 [1,0,0,1,0,0|2,0,0]=4 173 B6R1.2 CC1=COC=C1 W18310 [1,0,0,1,0,0|2,0,0]=4 174 B6R1.2 CC1=NOC=C1 35767 [1,0,0,1,0,0|2,0,0]=4 175 B6R1.2 IC1=COCC1 P19286 [1,0,0,1,0,0|2,0,0]=4 176 B6R1.2 O=C1C=CCN1 AC1277 [1,0,0,1,0,0|1,0,0]=3 177 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,1,0,0|0,0,2]=4 178 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,1,0,0|1,0,1]=4 179 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [0,1,0,1,0,0|0,0,2]=4 181 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,1,0,1,0,0|1,0,1]=4 183 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.1 CC1=CC=C(CN)S1 71266 [0,1,0,1,0,0|1,1,0]=4 185 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,1,0,1,0,0|1,1,0]=4 186 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,1,0,1,0,0|2,0,0]=4 187 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,1,0,1,0,0|1,1,0]=4 188 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,1,0,1,0,0|1,0,1]=4 189 B8R1.1 CC1=CSC(CCl)=N1 W16105 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.1 CC1=CSC(CO)=N1 78422 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.1 CC1=NC(CBr)=CS1 C76311 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.1 CC1=NC(CO)=CN1 22905 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,1,0,1,0,0|1,1,0]=4 194 B8R1.1 CC1=NC=C(CN)S1 72160 [0,1,0,1,0,0|1,1,0]=4 195 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,1,0,1,0,0|1,1,0]=4 196 B8R1.1 CC1=NNC(CO)=C1 71135 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.1 CC1=NOC(CN)=C1 20228 [0,1,0,1,0,0|1,0,1]=4 199 B8R1.1 CCC1=CC(N)=NO1 71263 [0,1,0,1,0,0|1,0,1]=4 200 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,1,0,1,0,0|0,0,1]=3 202 B8R1.1 CCC1=CN=C(N)S1 84403 [0,1,0,1,0,0|1,1,0]=4 203 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,1,0,0|0,0,0]=2 206 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|0,0,2]=4 213 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,1,0,1,0,0|0,0,0]=2 216 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,1,0,0|0,0,2]=4 217 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|0,0,2]=4 218 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|0,0,2]=4 219 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|0,0,2]=4 220 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|0,0,2]=4 221 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.4 NC1=CC(=O)COC1 P18321 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|0,0,2]=4 228 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.4 O=C1CNCC(=O)C1 91786 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.4 O=C1COCC(=O)N1 AR2999 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.4 O=C1[CH-]C(=O)COC1 I11592 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,1,0,0|0,0,0]=2 235 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.18 CC1=CC(Cl)=NN1C D72062 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.18 CC1=CC(N)=C(C)S1 86689 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.18 CN1NC(=O)C=C1N P19144 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.18 C[C@@H]1SC(N)=NC1=O D85819 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,1,0,0|0,0,2]=4 248 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.2 BrCC1=CCCCC1 37274 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.2 CCC1=NC=NC=C1 F17281 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,1,0,1,0,0|0,0,0]=2 254 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,1,0,0|0,0,2]=4 255 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.3 O=C1C=C[C@@H](O)OC1 SC1227 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|0,0,2]=4 266 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|0,0,2]=4 267 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|0,0,2]=4 269 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.22 O=C1CCCCCN1 D94502 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.22 O=C1CCCCNC1 50109 [0,1,0,1,0,0|0,0,2]=4 278 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.22 O=C1CCNCCN1 58405 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.22 O=C1CNCCNC1 77718 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.22 O=C1CNCCOC1 P20266 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.22 O=C1COCCCN1 71169 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.22 O=C1OCCCCO1 D93115 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.38 CCC(=O)C1COC1 D79147 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.50 CC1=C(Br)C(=O)NN1 C77007 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.50 CC1=C(Br)COC1=O W19136 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.50 CC1=NNC(=O)[C@H]1Br W18036 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.50 CN1C(=O)CCC1=O D70368 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.50 NN1C(=O)CCC1=O T70071 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.7 CC(C)C1=CC=CO1 81450 [0,1,0,1,0,0|0,0,2]=4 291 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,1,0,1,0,0|0,0,2]=4 292 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,1,0,1,0,0|0,0,2]=4 293 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,1,0,1,0,0|0,1,1]=4 294 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,1,0,1,0,0|0,1,1]=4 295 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,1,0,1,0,0|0,1,1]=4 296 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,1,0,1,0,0|0,1,1]=4 297 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,1,0,1,0,0|0,1,1]=4 298 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.19 CC1(C)CCNC1=O 79628 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.19 CC1(C)CONC1=O D73557 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.37 CCCC(=O)C1CC1 P18081 [0,1,0,1,0,0|0,0,2]=4 308 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.54 C[C@H](Br)C(=O)C1CC1 P15980 [0,1,0,1,0,0|0,0,2]=4 310 B8R1.8 BrCCC1=CSC=C1 F20032 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.8 CCCC1=NNC=C1 C16284 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.8 CCOC1=NNC=C1 AT14799 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.8 CNCC1=CC=NO1 27030 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.8 CNCC1=COC=C1 AC5678 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.8 CNCC1=NNC=C1 33350 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.8 NCCC1=CC=CN1 31556 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.8 NCCC1=CC=CN1 F10331 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.8 NCCC1=CSC=C1 P10092 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.8 NCCC1=NNC=C1 AC1362 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.8 OCCC1=CC=CN1 AB10351 [0,1,0,1,0,0|1,0,1]=4 321 B8R1.8 OCCC1=CC=CO1 W10532 [0,1,0,1,0,0|0,0,2]=4 322 B8R1.8 OCCC1=COC=C1 D93026 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.8 OCCC1=NNC=C1 22974 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.11 CCC1=NNC=C1Br 98406 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|0,0,2]=4 326 B8R1.11 O=C1CCC=C1CO E70389 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|0,0,2]=4 328 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|1,0,1]=4 329 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|0,0,2]=4 330 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|0,0,2]=4 331 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|1,0,1]=4 332 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,2,0,0|0,0,2]=4