0 B7R0.1 CNCCCCC=C CB11323 [1,0,0,0,0,0|2,0,0]=3 1 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,1,0,0,0,0|2,0,1]=4 2 B9R0.45 CCCCCCNCCN AB05874 [0,1,0,0,0,0|2,0,1]=4 3 B9R1.5 CN1CCNCCC1=O AB49613 [0,0,0,1,0,0|3,0,0]=4 4 B9R1.8 C1CCC(CC1)CC#N AB02345 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.8 C1CCC(CC1)CC=O MB02401 [0,0,0,1,0,0|1,0,0]=2 6 B9R1.8 C1CCC(CC1)CCN AB02346 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.8 C1CCC(CC1)CCN AB09885 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.8 C1CCC(CC1)CNN AB23600 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.8 C1CCC(CC1)N=C=O AB00329 [0,0,0,1,0,0|1,0,1]=3 10 B9R1.8 C1COCCC1CC=O PB20812 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.8 C1COCCC1CCBr AB52526 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.8 C1COCCC1CCI AB69545 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.8 C1COCCC1CCN AB14269 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.8 C1COCCC1CCN PB34023 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.8 C1COCCC1CCO PB27428 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.8 C1COCCC1N=C=O AB70499 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.8 C1CSCCC1CC=O AB14652 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.8 CCOC1CCNCC1 AB30382 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.8 CNCC1CCOCC1 PB32464 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.12 C1CCC(C1)CN=C=O AB55252 [0,0,0,1,0,0|1,0,1]=3 21 B9R1.12 CCCCC1CCCN1 AB12052 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.15 CCC1CCCCC1=O AB02693 [0,0,0,1,0,0|1,0,0]=2 25 B9R1.15 CCC1COCCC1=O AB75455 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.15 CCN1CCNCC1=O AB30261 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.15 COC1COCCC1=O PB17702 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.33 CCCN1CCCC1=O AB51341 [0,0,0,1,0,0|2,0,0]=3 31 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.6 COCCCON MB19791 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.7 B(CCCCCC)(O)O AB08083 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.4 B(\C=C\CCCCCC)(O)O AB10827 [0,2,0,0,0,0|1,0,1]=4 35 B10R0.4 C(COCCOCC(=O)O)N AB66809 [0,2,0,0,0,0|2,0,0]=4 36 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,2,0,0,0,0|2,0,0]=4 37 B8R1.2 C1CC(COC1)C=O AB16155 [1,0,0,1,0,0|1,0,0]=3 38 B8R1.2 C1CC(COC1)CBr PB14565 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.2 C1CC(COC1)CN PB23481 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.2 C1CC(COC1)CO PB12514 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.2 C1CCNC(C1)C=O AB52540 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.2 C1CCOC(C1)C=O MB05934 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.2 C1CNCCC1C=O AB52543 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.2 C1COCCC1C=O AB14645 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.2 C1CSCCC1C=O AB14650 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.2 CCC1COCCN1 AB49617 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.2 COC1CCCNC1 PB14414 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.2 COC1CCNCC1 PB10390 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.2 COC1CCNCC1 PB34075 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.2 CO[C@H]1CCCNC1 PB13690 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.2 CO[C@H]1CCCNC1 PB31836 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.5 C1CNCC(C1=O)F PB20587 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.5 C1COCC(C1=O)Br PB18064 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.5 C1COCC(C1=O)F PB28362 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.5 CC1C(=O)NCCN1 AB04135 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.5 CC1C(=O)NCCO1 AB71412 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.5 CC1CCNCC1=O PB36769 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.5 CC1CNCCC1=O PB23474 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.5 CC1COCCC1=O PB26907 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.5 CN1CCNCC1=O PB24934 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.8 C1CC(OC1)CC=O AB76318 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.8 C1CCC(C1)CON CB11464 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.8 C1CCC(C1)N=C=O AB10807 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.8 C1COCC1CC=O AB75447 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.8 C1COCC1CCI AB75456 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.8 C1COCC1CCN AB45457 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.8 COCC1CCNC1 PB18902 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.8 COC[C@@H]1CCCN1 PB10025 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.8 COC[C@@H]1CCNC1 PB35406 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.8 COC[C@H]1CCCN1 PB15637 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.8 COC[C@H]1CCNC1 PB35853 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.10 C1CC(C1)CN=C=O AB74239 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.22 C1CNCC(=O)NC1 AB30280 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.22 C1CNCCNC1=O AB07054 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.36 COCCNC1CC1 MB07709 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.18 C1CNCCC1CC(=O)N PB30145 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.18 C1CNCCC1CC(=O)O PB18605 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.18 C1COCCC1CC(=O)O PB33952 [0,1,0,1,0,0|2,0,0]=4 94 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.18 CC(=O)OC1CCCCS1 AB31207 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.18 CC(=O)SC1CCOCC1 AB76313 [0,1,0,1,0,0|1,1,0]=4 98 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)N AB50604 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.61 CC(C)C1C(=O)NCCN1 AB05504 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.61 CC(C)[C@@H]1C(=O)NCCN1 AB37161 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.61 CC(C)[C@H]1C(=O)NCCN1 AB37158 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.4 C1CN(C(=O)OC1)CCN CB11335 [0,1,0,1,0,0|1,0,0]=3 109 B10R1.4 CCCC1CCNCC1=O AB59855 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.4 CCCC1COCCC1=O AB76451 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.4 CSCC1C(=O)NCCN1 AB37168 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.4 CSC[C@@H]1C(=O)NCCN1 AB37173 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.4 CSC[C@H]1C(=O)NCCN1 AB37170 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.17 C1COCCC1CCCN AB64018 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.149 C1COC(=O)C1C(=O)CCl AB13908 [0,1,0,1,0,0|1,0,1]=4 116 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|2,0,0]=4 117 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,0,0,2,0,0|1,0,0]=3 118 B10R2.32 C1CC(=O)C2C1CNC2 PB32434 [0,0,0,2,0,0|2,0,0]=4 119 B10R2.32 C1CC2C(=O)CCN2C1 AB27646 [0,0,0,2,0,0|2,0,0]=4 120 B10R2.32 C1CN[C@H]2[C@@H]1CNC2=O PB31139 [0,0,0,2,0,0|2,0,0]=4 121 B10R2.15 C1CC12C(=O)NCCN2 AB37186 [0,0,0,2,0,0|2,0,0]=4 122 B10R2.15 C1CC12CCNCC2=O PB36536 [0,0,0,2,0,0|2,0,0]=4 123 B10R2.41 C1CC2CNCC1C2=O PB30498 [0,0,0,2,0,0|2,0,0]=4