0 B8R0.8 CCCNC(C)C(C)O AIFCHEM-94547073103 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.3 CCNCC(O)CO AIFCHEM-94537423573 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.3 CCNC[C@@H](O)CO AIFCHEM-94537424167 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.3 CCNC[C@H](O)CO AIFCHEM-94537423528 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.5 CCNC(C)C(=O)N AIFCHEM-94537421902 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 CCNC(C)C(=O)O AIFCHEM-94537419943 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.5 CCN[C@@H](C)C(=O)N AIFCHEM-94537424903 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.5 CCN[C@@H](C)C(=O)O AIFCHEM-94576654329 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.5 CCN[C@H](C)C(=O)N AIFCHEM-94537424731 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.5 CCN[C@H](C)C(=O)O AIFCHEM-94537420413 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.6 COCC(C)N(C)C(=O)C AIFCHEM-94605340310 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.7 CC(C)CN[C@@H](C)C(=O)O AIFCHEM-94572982216 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.7 CC(C)CN[C@H](C)C(=O)O AIFCHEM-94572979750 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.8 C#CC(=O)N(C)CCSC AIFCHEM-94607191097 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.13 CCCNC(CC)C(=O)O AIFCHEM-94569016786 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.13 CCCNC(CO)C(=O)O AIFCHEM-94569017027 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.13 CCCN[C@@H](CC)C(=O)O AIFCHEM-94569020414 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.13 CCCN[C@@H](CO)C(=O)O AIFCHEM-94569013545 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.13 CCCN[C@H](CC)C(=O)O AIFCHEM-94569016473 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.13 CCCN[C@H](CO)C(=O)O AIFCHEM-94569017139 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.13 CCN(CCSC)C(=O)C AIFCHEM-98288877231 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.42 CC(CO)NC(C)C(=O)N AIFCHEM-6246193388 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.42 CC(CO)N[C@@H](C)C(=O)N AIFCHEM-94608799616 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.42 CC(CO)N[C@H](C)C(=O)N AIFCHEM-5898838869 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.47 CC(O)C(C)NCCCO AIFCHEM-94547066325 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.47 CCCCNC(C)C(C)O AIFCHEM-94547071284 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.47 CCCCNC(C)C(F)F AIFCHEM-94548667416 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.47 CCCCN[C@@H](C)C(=O)O AIFCHEM-94523039192 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.47 CCCCN[C@H](C)C(=O)O AIFCHEM-94523036726 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.95 CSC1CN(C1)C(=O)C AIFCHEM-94605344908 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.110 CC(=O)N(C)C1COC1 AIFCHEM-5998443034 [0,0,0,1,0,0|3,0,0]=4 32 B6R0.4 CCNCC(C)C AIFCHEM-94537422162 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.6 CCCNCCO AIFCHEM-94577775848 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.6 CCNCCCO AIFCHEM-94537415438 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.9 CC(C)CNC(C)CO AIFCHEM-6145692687 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.9 CC(C)CN[C@@H](C)CO AIFCHEM-94572978911 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.9 CC(C)CN[C@H](C)CO AIFCHEM-94572979978 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.11 CCCNC(CO)CO AIFCHEM-94569022033 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.7 COCCCNC(=O)C AIFCHEM-94535593052 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.7 CSCCCNC(=O)C AIFCHEM-94535596324 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.15 CCCN(CC)C(=O)C AIFCHEM-99350620485 [1,1,0,0,0,0|2,0,0]=4 45 B10R0.6 CCCCNC(C)CC(=O)O AIFCHEM-94523036017 [0,1,0,0,0,1|0,0,0]=2 46 B10R0.6 CCCCN[C@H](C)CC(=O)O AIFCHEM-94523039538 [0,1,0,0,0,1|0,0,0]=2 47 B10R0.18 CCCNC(C)CC(=O)OC AIFCHEM-94569011981 [0,1,0,0,0,1|1,0,0]=3 48 B10R0.18 CCCN[C@@H](C)CC(=O)OC AIFCHEM-94569012180 [0,1,0,0,0,1|1,0,0]=3 49 B10R0.18 CCCN[C@H](C)CC(=O)OC AIFCHEM-94569008681 [0,1,0,0,0,1|1,0,0]=3 50 B10R0.96 CC(C)CNC(C)CC(=O)O AIFCHEM-94572979041 [0,1,0,0,0,1|1,0,0]=3 51 B10R0.96 CC(C)CN[C@@H](C)CC(=O)O AIFCHEM-94572980283 [0,1,0,0,0,1|1,0,0]=3 52 B10R0.96 CC(C)CN[C@H](C)CC(=O)O AIFCHEM-94599627694 [0,1,0,0,0,1|1,0,0]=3 53 B10R0.101 CCCC(C)N(CC)C(=O)C AIFCHEM-94685233744 [0,2,0,0,0,0|2,0,0]=4 54 B10R0.101 CCC[C@@H](C)N(CC)C(=O)C AIFCHEM-94685615951 [0,2,0,0,0,0|2,0,0]=4 55 B10R0.101 CCC[C@H](C)N(CC)C(=O)C AIFCHEM-99350771815 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.57 CCC(=O)N(C)CCC(C)C AIFCHEM-94526505359 [0,2,0,0,0,0|2,0,0]=4 57 B10R0.57 COC(=O)C(C)CNC(=O)C AIFCHEM-94535600424 [0,2,0,0,0,0|1,0,1]=4 58 B10R0.82 CC(CO)NCC(C)C(=O)O AIFCHEM-94526935330 [0,2,0,0,0,0|1,0,0]=3 59 B10R0.82 CC(CO)NC[C@@H](C)C(=O)O AIFCHEM-94558213778 [0,2,0,0,0,0|1,0,0]=3 60 B10R0.82 CC(CO)NC[C@H](C)C(=O)O AIFCHEM-5715348210 [0,2,0,0,0,0|1,0,0]=3 61 B10R0.82 C[C@@H](NCC(O)CO)C(=O)N AIFCHEM-5900915144 [0,2,0,0,0,0|2,0,0]=4 62 B10R0.82 C[C@@H](NC[C@H](O)CO)C(=O)N AIFCHEM-94590563572 [0,2,0,0,0,0|2,0,0]=4 63 B10R0.82 C[C@H](NCC(O)CO)C(=O)N AIFCHEM-5743795745 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.84 CCN(CCC(C)C)C(=O)C AIFCHEM-94685475361 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.93 CC(N[C@H](C)C(=O)O)C(F)F AIFCHEM-94548675758 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.19 CCCNC(C)C(=O)OCC AIFCHEM-94569020664 [0,2,0,0,0,0|1,0,0]=3 67 B10R0.19 CCCN[C@@H](C)C(=O)NCC AIFCHEM-94569021810 [0,2,0,0,0,0|2,0,0]=4 68 B10R0.19 CCCN[C@@H](C)C(=O)OCC AIFCHEM-94569009310 [0,2,0,0,0,0|1,0,0]=3 69 B10R0.19 CCCN[C@H](C)C(=O)OCC AIFCHEM-94569020921 [0,2,0,0,0,0|1,0,0]=3 70 B10R0.19 COCCN(C)C(=O)CCO AIFCHEM-5999389276 [0,2,0,0,0,0|2,0,0]=4 71 B10R0.83 CCCCCN(C)C(=O)CC AIFCHEM-94526505529 [0,2,0,0,0,0|2,0,0]=4 72 B10R0.83 CCCCNC(C)C(=O)NC AIFCHEM-94523037310 [0,2,0,0,0,0|1,0,0]=3 73 B10R0.83 CCCCN[C@@H](C)C(=O)NC AIFCHEM-94523039840 [0,2,0,0,0,0|1,0,0]=3 74 B10R0.83 CCCCN[C@H](C)C(=O)NC AIFCHEM-94523039844 [0,2,0,0,0,0|1,0,0]=3 75 B10R0.85 CCCNC(CO)C(=O)OC AIFCHEM-94569019985 [0,2,0,0,0,0|1,0,0]=3 76 B10R0.85 CCCN[C@@H](CO)C(=O)OC AIFCHEM-94569020065 [0,2,0,0,0,0|1,0,0]=3 77 B10R0.85 CCCN[C@H](CO)C(=O)OC AIFCHEM-94569020324 [0,2,0,0,0,0|1,0,0]=3 78 B10R0.85 CCN(CCSC)C(=O)CO AIFCHEM-100298618588 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.124 CCNCC(C)(C)C(=O)OC AIFCHEM-94537416899 [0,2,0,0,0,0|1,0,0]=3 80 B10R0.53 CCC(C)CN(CC)C(=O)C AIFCHEM-98288710533 [0,2,0,0,0,0|2,0,0]=4 81 B10R0.53 CCC(F)CN(CC)C(=O)C AIFCHEM-94685425601 [0,2,0,0,0,0|2,0,0]=4 82 B10R0.86 CCCCCN(CC)C(=O)C AIFCHEM-99350734736 [0,2,0,0,0,0|2,0,0]=4 83 B10R0.86 CCCCN[C@@H](CC)[C@@H](C)O AIFCHEM-94523038310 [0,2,0,0,0,0|1,0,1]=4 84 B10R0.86 CCN(CCCOC)C(=O)C AIFCHEM-94685316407 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.86 CCN(CCCSC)C(=O)C AIFCHEM-94686387561 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.86 CCOCCN(CC)C(=O)C AIFCHEM-99350918274 [0,2,0,0,0,0|2,0,0]=4 87 B10R0.86 CCSCCN(CC)C(=O)C AIFCHEM-99350685490 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.88 CCCC(CNCC)C(=O)O AIFCHEM-94537411763 [0,2,0,0,0,0|1,0,0]=3 89 B10R0.88 CCCNC(CCC)C(=O)O AIFCHEM-94569022252 [0,2,0,0,0,0|1,0,0]=3 90 B10R0.88 CCCNC(CCO)C(=O)O AIFCHEM-94569014618 [0,2,0,0,0,0|1,0,0]=3 91 B10R0.88 CCCN[C@@H](CCC)C(=O)O AIFCHEM-94569021238 [0,2,0,0,0,0|1,0,0]=3 92 B10R0.88 CCCN[C@@H](CCO)C(=O)O AIFCHEM-94569021361 [0,2,0,0,0,0|1,0,0]=3 93 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O AIFCHEM-94569016432 [0,2,0,0,0,0|1,0,0]=3 94 B10R0.88 CCCN[C@H](CCC)C(=O)O AIFCHEM-94569014953 [0,2,0,0,0,0|1,0,0]=3 95 B10R0.88 CCCN[C@H](CCO)C(=O)O AIFCHEM-94569020484 [0,2,0,0,0,0|1,0,0]=3 96 B10R0.88 CCNC(CCSC)C(=O)O AIFCHEM-94537423259 [0,2,0,0,0,0|1,0,0]=3 97 B10R0.88 CCN[C@@H](CCSC)C(=O)N AIFCHEM-94537416293 [0,2,0,0,0,0|2,0,0]=4 98 B10R0.88 CCN[C@@H](CCSC)C(=O)O AIFCHEM-94537423784 [0,2,0,0,0,0|1,0,0]=3 99 B10R0.88 CCN[C@H](CCSC)C(=O)O AIFCHEM-94537420555 [0,2,0,0,0,0|1,0,0]=3 100 B10R0.26 CC(CCO)NC(O)C(=O)O AIFCHEM-5676111373 [0,2,0,0,0,0|2,0,0]=4 101 B10R0.26 CCCC(C)NC(C)C(C)O AIFCHEM-94560473875 [0,2,0,0,0,0|1,0,1]=4 102 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O AIFCHEM-94576649027 [0,2,0,0,0,0|0,0,0]=2 103 B10R0.26 CCCC(C)N[C@H](C)C(=O)O AIFCHEM-94606117145 [0,2,0,0,0,0|0,0,0]=2 104 B10R0.26 CCC[C@@H](C)NC(C)C(C)O AIFCHEM-94547061640 [0,2,0,0,0,0|1,0,1]=4 105 B10R0.26 CCC[C@H](C)NC(C)C(C)O AIFCHEM-94547068675 [0,2,0,0,0,0|1,0,1]=4 106 B10R0.72 CCC(CO)N[C@@H](C)C(=O)N AIFCHEM-5750068667 [0,2,0,0,0,0|2,0,0]=4 107 B10R0.72 CCC(CO)N[C@H](C)C(=O)N AIFCHEM-5898827384 [0,2,0,0,0,0|2,0,0]=4 108 B10R0.42 CCCNCC(C)(C)C(=O)O AIFCHEM-94569016809 [0,2,0,0,0,0|0,0,0]=2 109 B10R0.75 CC(O)C(C)NCCCCO AIFCHEM-94547064786 [0,2,0,0,0,0|1,0,1]=4 110 B10R0.75 CCCCCCN(C)C(=O)C AIFCHEM-94535595676 [0,2,0,0,0,0|2,0,0]=4 111 B10R0.75 CCCCCN[C@@H](C)C(=O)N AIFCHEM-94530163499 [0,2,0,0,0,0|1,0,0]=3 112 B10R0.75 CCCCCN[C@H](C)C(=O)N AIFCHEM-94551436255 [0,2,0,0,0,0|1,0,0]=3 113 B10R0.75 CCOCCNC(C)C(C)O AIFCHEM-94547062387 [0,2,0,0,0,0|1,0,1]=4 114 B10R0.75 COCCCNC(C)C(C)O AIFCHEM-94547072782 [0,2,0,0,0,0|1,0,1]=4 115 B10R0.98 CC(C)CCNC(C)C(C)O AIFCHEM-94547072908 [0,2,0,0,0,0|1,0,1]=4 116 B10R1.18 CC(=O)NC1CCCOC1 AIFCHEM-94605355363 [0,0,0,1,0,1|2,0,0]=4 117 B10R1.18 CC(=O)NC1CCSCC1 AIFCHEM-94535594005 [0,0,0,1,0,1|2,0,0]=4 118 B10R1.18 CC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588276124 [0,0,0,1,0,1|2,0,0]=4 119 B10R1.18 CC(=O)N[C@H]1CCCOC1 AIFCHEM-94535590147 [0,0,0,1,0,1|2,0,0]=4 120 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [0,0,0,1,0,1|1,0,0]=3 121 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [0,0,0,1,0,1|1,0,0]=3 122 B10R1.168 CCN1CC(C1)OC(=O)C AIFCHEM-94537414773 [0,0,0,1,0,1|2,0,0]=4 123 B10R1.23 CC(=O)N(C)C1CCOC1 AIFCHEM-94605357623 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.23 CC(=O)N(C)[C@@H]1CCOC1 AIFCHEM-94535590530 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.13 CC(=O)N1CCC(CC1)C AIFCHEM-94535598171 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.190 CC(O)C(C)N[C@@H]1C[C@H]1C AIFCHEM-94559009547 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.205 CC(NCC1CC1)C(=O)O AIFCHEM-5977311473 [0,1,0,1,0,0|0,0,0]=2 128 B10R1.205 CC(O)C(C)NCC1CC1 AIFCHEM-94547075055 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.205 C[C@@H](NCC1CC1)C(=O)O AIFCHEM-5951541105 [0,1,0,1,0,0|0,0,0]=2 130 B10R1.205 C[C@H](NCC1CC1)C(=O)O AIFCHEM-5736274507 [0,1,0,1,0,0|0,0,0]=2 131 B10R1.14 C#CC(=O)N1CCC(C1)C AIFCHEM-94525192167 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.14 C#CC(=O)N1CC[C@@H](C1)C AIFCHEM-94525195554 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.14 C#CC(=O)N1CC[C@H](C1)C AIFCHEM-94525196800 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.14 CC1CCN(C1)C(=O)CO AIFCHEM-94532675819 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO AIFCHEM-94532680452 [0,1,0,1,0,0|1,0,0]=3 136 B10R1.14 C[C@H]1CCN(C1)C(=O)CO AIFCHEM-5610242291 [0,1,0,1,0,0|1,0,0]=3 137 B10R1.15 O=C(CO)N1CCCOC1 AIFCHEM-94532677753 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.29 CCCNC1CCNC1=O AIFCHEM-94569009858 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.29 CCCN[C@@H]1CCNC1=O AIFCHEM-94577677174 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.29 CCCN[C@H]1CCNC1=O AIFCHEM-94569020011 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.169 CCN1CC(C1)C(=O)NC AIFCHEM-94537426151 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.169 COC1CN(C1)C(=O)CO AIFCHEM-94532677860 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.182 CCC(=O)N(C)C1CCC1 AIFCHEM-94526510844 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.182 CN(C(=O)CO)C1COC1 AIFCHEM-94532687464 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.214 CCN(C(=O)C)[C@@H]1C[C@H]1C AIFCHEM-99350200981 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.348 CC(=O)N1CCCOCC1 AIFCHEM-94553873278 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.469 CCN(CC1CC1)C(=O)C AIFCHEM-99350564643 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.204 CC(NC1CCC1)C(=O)O AIFCHEM-94576052200 [0,1,0,1,0,0|0,0,0]=2 149 B10R1.204 C[C@@H](NC1CCC1)C(=O)O AIFCHEM-94576052670 [0,1,0,1,0,0|0,0,0]=2 150 B10R1.204 C[C@H](NC1CCC1)C(=O)O AIFCHEM-94576055136 [0,1,0,1,0,0|0,0,0]=2 151 B10R1.204 O=C(O)C(O)NC1COC1 AIFCHEM-5676334379 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.93 CCNC1CN(C1)C(=O)C AIFCHEM-94543794604 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.131 CCCN1CC(=O)N(C1)C AIFCHEM-94569012541 [0,1,0,1,0,0|2,0,0]=4 154 B10R2.346 CC(=O)N1CC2CC1C2 AIFCHEM-94605356937 [0,0,0,2,0,0|2,0,0]=4 155 B10R0.78 CCCCC(C)NCC(C)O AIFCHEM-94541404351 [0,0,0,0,0,2|1,0,1]=4 156 B10R0.78 CCCCC(C)NC[C@@H](C)O AIFCHEM-94541398614 [0,0,0,0,0,2|1,0,1]=4 157 B10R0.78 CCCCC(C)NC[C@H](C)O AIFCHEM-94541398615 [0,0,0,0,0,2|1,0,1]=4 158 B10R0.78 CCCNC(C)CCC(=O)O AIFCHEM-94569012120 [0,0,0,0,0,2|1,0,0]=3 159 B10R0.78 CCCNC(C)COC(=O)C AIFCHEM-94599171235 [0,0,0,0,0,2|2,0,0]=4 160 B10R0.78 CSCCC(C)NCC(=O)O AIFCHEM-5979077608 [0,0,0,0,0,2|1,0,0]=3