0 B8R0.22 CCC[C@@H](CO)NCC AIFCHEM-94607957860 [1,0,0,0,0,0|3,0,0]=4 1 B8R0.22 CCC[C@H](CO)NCC AIFCHEM-94537425599 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.22 CCN(CCO)CCO AIFCHEM-94537415530 [1,0,0,0,0,0|2,0,0]=3 3 B10R0.73 CCCN(CCC)C(=O)CC AIFCHEM-94536247609 [0,1,0,0,0,0|0,0,1]=2 4 B10R0.90 CCCNC(COC)COC AIFCHEM-94569022528 [0,1,0,0,0,0|3,0,0]=4 5 B10R0.90 CCCN[C@@H](CCC)CCO AIFCHEM-94569021523 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.5 CCN1CCC[C@@H]1COC AIFCHEM-94537413471 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.5 CCN1CCC[C@H]1COC AIFCHEM-94537423808 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.10 CCCN1CCCC(C1)F AIFCHEM-94569022032 [0,0,0,1,0,0|1,0,0]=2 9 B10R1.10 CCCN1CCCC(C1)O AIFCHEM-94569021033 [0,0,0,1,0,0|1,0,0]=2 10 B10R1.10 CCCN1CCC[C@H](C1)O AIFCHEM-94531241660 [0,0,0,1,0,0|1,0,0]=2 11 B10R1.10 CCCN1CCOC(C1)O AIFCHEM-94569022595 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.10 CCNC1CCCC(C1)C AIFCHEM-94537424394 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.131 CCCN1CC(=O)N(C1)C AIFCHEM-94569012541 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.131 CCCN1C[C@@H]([C@H](C1)F)F AIFCHEM-94569023313 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.131 CCCN1C[C@@H]([C@H](C1)F)O AIFCHEM-94569014557 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.131 CCCN1C[C@H]([C@@H](C1)F)O AIFCHEM-94569012992 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.131 CCCN1C[C@H]([C@H](C1)F)F AIFCHEM-94569023314 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.131 CCCN1C[C@H]([C@H](C1)O)F AIFCHEM-94569012554 [0,0,0,1,0,0|2,0,0]=3 19 B7R0.12 CCN(CC)CCO AIFCHEM-94537412135 [2,0,0,0,0,0|1,0,0]=3 20 B7R0.12 CCNC(CC)CC AIFCHEM-94537423572 [2,0,0,0,0,0|2,0,0]=4 21 B9R0.12 CCC(=O)N(CC)CCF AIFCHEM-95157608241 [1,1,0,0,0,0|1,0,1]=4 22 B9R0.12 CCCN(CC)C(=O)CC AIFCHEM-95157574285 [1,1,0,0,0,0|0,0,1]=3 23 B9R0.12 CCCN(CC)C(=O)CO AIFCHEM-97888407121 [1,1,0,0,0,0|1,0,1]=4 24 B9R0.14 CCCN(CC)CC(=O)O AIFCHEM-94537424498 [1,1,0,0,0,0|1,0,1]=4 25 B9R0.14 CCCN(CC)C[C@H](C)O AIFCHEM-94569021840 [1,1,0,0,0,0|0,0,0]=2 26 B9R0.40 CCCCN(CO)CCO AIFCHEM-94574943526 [1,1,0,0,0,0|2,0,0]=4 27 B11R0.38 CCCN(CCOC)C(=O)CC AIFCHEM-95157741856 [0,2,0,0,0,0|0,0,1]=3 28 B11R0.38 CCCN(CCOC)C(=O)CO AIFCHEM-100298515647 [0,2,0,0,0,0|1,0,1]=4 29 B11R0.41 CCCN(C(=O)CC)[C@H](C)CF AIFCHEM-95157541782 [0,2,0,0,0,0|1,0,1]=4 30 B11R0.61 C#CCC(=O)N(CCC)CCC AIFCHEM-94536243622 [0,2,0,0,0,0|0,0,2]=4 31 B11R0.98 CCCN(CCC)C(=O)C(C)O AIFCHEM-94540226960 [0,2,0,0,0,0|0,0,1]=3 32 B11R0.98 CCCN(CCC)C(=O)[C@@H](C)O AIFCHEM-5790786309 [0,2,0,0,0,0|0,0,1]=3 33 B11R0.98 CCCN(CCC)C(=O)[C@H](C)O AIFCHEM-5854323744 [0,2,0,0,0,0|0,0,1]=3 34 B11R0.279 CCC(C)CN(CCO)CCO AIFCHEM-6491252716 [0,2,0,0,0,0|2,0,0]=4 35 B11R0.279 CCCN(CCC)CC(O)CO AIFCHEM-5853523971 [0,2,0,0,0,0|0,0,0]=2 36 B11R0.80 CCCCCN(CCC)CCC AIFCHEM-94551436436 [0,2,0,0,0,0|0,0,0]=2 37 B11R0.80 CCCCNC(CCC)CCC AIFCHEM-94523032890 [0,2,0,0,0,0|1,0,0]=3 38 B11R0.80 CCCCN[C@@H](CCC)CCO AIFCHEM-94523040753 [0,2,0,0,0,0|2,0,0]=4 39 B11R0.80 CSCCCN(CCO)CCO AIFCHEM-94546176755 [0,2,0,0,0,0|2,0,0]=4 40 B11R0.280 CCCC(CCC)NCC(C)C AIFCHEM-94572975914 [0,2,0,0,0,0|1,0,0]=3 41 B9R1.7 CCCN1CCC(C1)F AIFCHEM-94569013737 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.7 CCCN1CC[C@@H](C1)F AIFCHEM-94569011947 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.7 CCCN1CC[C@H](C1)F AIFCHEM-94569011948 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.14 CCC1CCCN1CC AIFCHEM-94537424244 [1,0,0,1,0,0|0,0,0]=2 46 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [1,0,0,1,0,0|0,0,0]=2 47 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [1,0,0,1,0,0|0,0,0]=2 48 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [1,0,0,1,0,0|0,0,0]=2 49 B9R1.43 CCCN(CC)C1CC1 AIFCHEM-94569016503 [1,0,0,1,0,0|0,0,0]=2 50 B11R1.23 CC1CN(CCS1)C(C)CO AIFCHEM-94534771944 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.41 CCCN1CCCCC1CC AIFCHEM-94569012819 [0,1,0,1,0,0|0,0,0]=2 52 B11R1.41 CCCN1CCOCC1CC AIFCHEM-94569019891 [0,1,0,1,0,0|0,0,0]=2 53 B11R1.41 CCCN1CCOC[C@@H]1CC AIFCHEM-94531748536 [0,1,0,1,0,0|0,0,0]=2 54 B11R1.41 CCCN1CCOC[C@H]1CC AIFCHEM-94591340169 [0,1,0,1,0,0|0,0,0]=2 55 B11R1.59 CC(CO)N1CCC[C@H]1CF AIFCHEM-6241917587 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.183 CCCN1C[C@@H](C[C@@H]1CO)O AIFCHEM-94569008394 [0,1,0,1,0,0|1,0,0]=3 57 B11R1.183 CCCN1C[C@@H](C[C@H]1CO)O AIFCHEM-94569019055 [0,1,0,1,0,0|1,0,0]=3 58 B11R1.183 CCCN1C[C@H](C[C@@H]1CO)O AIFCHEM-94569008503 [0,1,0,1,0,0|1,0,0]=3 59 B11R1.183 CCCN1C[C@H](C[C@H]1CO)O AIFCHEM-94569011780 [0,1,0,1,0,0|1,0,0]=3 60 B11R1.80 CC(C)CN1C[C@@H]([C@H](C1)F)F AIFCHEM-94557237985 [0,1,0,1,0,0|2,0,0]=4 61 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)F)F AIFCHEM-94572985568 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.110 CCCN1CCOC[C@@H](C1)O AIFCHEM-94569008579 [0,1,0,1,0,0|1,0,0]=3 63 B11R1.110 CCCN1CCOC[C@H](C1)O AIFCHEM-94569011999 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.157 CC(C)CN1CCOC(C1)C AIFCHEM-94572978921 [0,1,0,1,0,0|1,0,0]=3 65 B11R1.157 CC(C)CN1CCO[C@@H](C1)C AIFCHEM-94572975927 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.157 CC(C)CN1CCO[C@H](C1)C AIFCHEM-94572971762 [0,1,0,1,0,0|1,0,0]=3 67 B11R1.193 CCCN1CCCC1C(=O)O AIFCHEM-94569020567 [0,1,0,1,0,0|1,0,1]=4 68 B11R1.193 CCCN1CCC[C@@H]1C(=O)O AIFCHEM-94569017577 [0,1,0,1,0,0|1,0,1]=4 69 B11R1.193 CCCN1CCC[C@H]1C(=O)O AIFCHEM-94569022460 [0,1,0,1,0,0|1,0,1]=4 70 B11R1.742 CC(C)NC1CCCCCC1 AIFCHEM-94520540459 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.799 OCCN(CCO)CC1CC1 AIFCHEM-94524928829 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.18 CCC1CCCC1NCCO AIFCHEM-94577779170 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.18 CCCCN1CCCC1CC AIFCHEM-94523040557 [0,1,0,1,0,0|0,0,0]=2 74 B11R1.18 CCCNC1CCCC1CC AIFCHEM-5875578081 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.24 CCCCN1CCOC(C1)C AIFCHEM-94523039599 [0,1,0,1,0,0|1,0,0]=3 76 B11R1.24 CCCCN1CCO[C@@H](C1)C AIFCHEM-94583860502 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.24 CCCCN1CCO[C@H](C1)C AIFCHEM-94579467693 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.24 CCNCC1CCCN(C1)C AIFCHEM-94537415635 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.117 CCCN1CCCCCCC1 AIFCHEM-94569009342 [0,1,0,1,0,0|0,0,0]=2 80 B11R1.135 CCCN1CCNC(=O)CC1 AIFCHEM-94569015196 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.189 CCCN1CCCC(C1)CF AIFCHEM-94569010847 [0,1,0,1,0,0|0,0,0]=2 82 B11R1.189 CCCN1CCCC(C1)OC AIFCHEM-94569018401 [0,1,0,1,0,0|0,0,0]=2 83 B11R1.189 CCCN1CCC[C@@H](C1)CO AIFCHEM-94569009387 [0,1,0,1,0,0|0,0,0]=2 84 B11R1.189 CCCN1CCC[C@@H](C1)OC AIFCHEM-94569021521 [0,1,0,1,0,0|0,0,0]=2 85 B11R1.189 CCCN1CCC[C@H](C1)CO AIFCHEM-94569009381 [0,1,0,1,0,0|0,0,0]=2 86 B11R1.189 CCCN1CCC[C@H](C1)OC AIFCHEM-94569021520 [0,1,0,1,0,0|0,0,0]=2 87 B11R1.189 CCNC1CCCC(C1)OC AIFCHEM-94537426761 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.203 CCNCC1CCCCCC1 AIFCHEM-94532085883 [0,1,0,1,0,0|1,0,0]=3 89 B11R2.248 CCCN1CC2CCC1C2 AIFCHEM-94569020999 [0,0,0,2,0,0|0,0,0]=2 90 B11R2.871 CCNC(C1CC1)C2CC2 AIFCHEM-94539562171 [0,0,0,2,0,0|2,0,0]=4