0 B10R1.10 CCCN1CCCC(C1)F AIFCHEM-94569022032 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.10 CCCN1CCCC(C1)O AIFCHEM-94569021033 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.10 CCCN1CCC[C@H](C1)O AIFCHEM-94531241660 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.10 CCCN1CCOC(C1)O AIFCHEM-94569022595 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.10 CCNC1CCCC(C1)C AIFCHEM-94537424394 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.23 CCN(C)C1CCOC(C1)C AIFCHEM-6119543664 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.24 CCCCN1CCOC(C1)C AIFCHEM-94523039599 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.24 CCCCN1CCO[C@@H](C1)C AIFCHEM-94583860502 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.24 CCCCN1CCO[C@H](C1)C AIFCHEM-94579467693 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.24 CCNCC1CCCN(C1)C AIFCHEM-94537415635 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.157 CC(C)CN1CCOC(C1)C AIFCHEM-94572978921 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.157 CC(C)CN1CCO[C@@H](C1)C AIFCHEM-94572975927 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.157 CC(C)CN1CCO[C@H](C1)C AIFCHEM-94572971762 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.189 CCCN1CCCC(C1)CF AIFCHEM-94569010847 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.189 CCCN1CCCC(C1)OC AIFCHEM-94569018401 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.189 CCCN1CCC[C@@H](C1)CO AIFCHEM-94569009387 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.189 CCCN1CCC[C@@H](C1)OC AIFCHEM-94569021521 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.189 CCCN1CCC[C@H](C1)CO AIFCHEM-94569009381 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.189 CCCN1CCC[C@H](C1)OC AIFCHEM-94569021520 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.189 CCNC1CCCC(C1)OC AIFCHEM-94537426761 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.342 CCNC1CCOC(C1)(C)C AIFCHEM-94537419323 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.2 CCCCCNCC(C)C AIFCHEM-94563719037 [0,0,1,0,0,0|3,0,0]=4 23 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [0,0,1,0,0,0|1,1,1]=4 24 B9R0.2 CCCNCCOC(C)C AIFCHEM-94569022755 [0,0,1,0,0,0|2,0,0]=3 25 B9R0.5 CCCC(C)NCCCO AIFCHEM-94606112170 [0,0,1,0,0,0|3,0,0]=4 26 B9R0.14 CCCN(CC)C[C@H](C)O AIFCHEM-94569021840 [0,0,1,0,0,0|2,0,0]=3 27 B11R2.248 CCCN1CC2CCC1C2 AIFCHEM-94569020999 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.7 CCCN1CCC(C1)F AIFCHEM-94569013737 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.7 CCCN1CC[C@@H](C1)F AIFCHEM-94569011947 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.7 CCCN1CC[C@H](C1)F AIFCHEM-94569011948 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.7 CCNC1CCC(C1)O AIFCHEM-94537412824 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O AIFCHEM-94537413980 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.7 CCN[C@@H]1CC[C@H](C1)O AIFCHEM-94571556877 [0,0,0,0,1,0|3,0,0]=4 34 B9R1.7 CCN[C@H]1CC[C@@H](C1)O AIFCHEM-94537415911 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.7 CCN[C@H]1CC[C@H](C1)O AIFCHEM-94537414200 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [0,0,0,0,1,0|2,0,0]=3 37 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [0,0,0,0,1,0|2,0,0]=3 38 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.110 CCCN1CCOC[C@@H](C1)O AIFCHEM-94569008579 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.110 CCCN1CCOC[C@H](C1)O AIFCHEM-94569011999 [0,0,0,0,0,1|3,0,0]=4 41 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [1,0,1,0,0,0|2,0,0]=4 42 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [1,0,1,0,0,0|2,0,0]=4 43 B8R0.5 CCCN(C)CC(C)O AIFCHEM-94569013631 [1,0,1,0,0,0|2,0,0]=4 44 B8R0.16 CCN(CC)C[C@H](C)O AIFCHEM-94537424757 [1,0,1,0,0,0|2,0,0]=4 45 B8R0.22 CCC[C@@H](CO)NCC AIFCHEM-94607957860 [1,0,1,0,0,0|1,0,0]=3 46 B8R0.22 CCC[C@H](CO)NCC AIFCHEM-94537425599 [1,0,1,0,0,0|1,0,0]=3 47 B8R0.22 CCN(CCO)CCO AIFCHEM-94537415530 [1,0,1,0,0,0|2,0,0]=4 48 B10R0.4 CCCCCCNCC(C)C AIFCHEM-94572974669 [0,1,1,0,0,0|2,0,0]=4 49 B10R0.4 CCCCCNCCC(C)O AIFCHEM-94551432719 [0,1,1,0,0,0|1,1,0]=4 50 B10R0.4 CCCCCNCC[C@H](C)O AIFCHEM-94544710523 [0,1,1,0,0,0|1,1,0]=4 51 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [0,1,1,0,0,0|0,1,1]=4 52 B10R0.1 CCCC(C)NCCCSC AIFCHEM-94529050641 [0,1,1,0,0,0|2,0,0]=4 53 B10R0.1 CCC[C@@H](C)NCCCSC AIFCHEM-94546172614 [0,1,1,0,0,0|2,0,0]=4 54 B10R0.1 CCC[C@H](C)NCCCSC AIFCHEM-94546179649 [0,1,1,0,0,0|2,0,0]=4 55 B10R0.1 CCOCCNC(C)COC AIFCHEM-94548607155 [0,1,1,0,0,0|2,0,0]=4 56 B10R0.19 CCCNC(=O)C(C)OCC AIFCHEM-94521378963 [0,1,1,0,0,0|2,0,0]=4 57 B10R0.108 CCCC(C)NCC(F)CC AIFCHEM-94606111738 [0,1,1,0,0,0|2,0,0]=4 58 B10R0.87 CCCCN(CC)C[C@H](C)O AIFCHEM-94523041070 [0,1,1,0,0,0|2,0,0]=4 59 B10R0.90 CCCN[C@@H](CCC)CCO AIFCHEM-94569021523 [0,1,1,0,0,0|1,0,0]=3 60 B10R0.26 CCCC(C)NC(C)C(C)C AIFCHEM-94606120090 [0,1,1,0,0,0|2,0,0]=4 61 B10R0.26 CCCC(C)NC(C)C(C)O AIFCHEM-94560473875 [0,1,1,0,0,0|2,0,0]=4 62 B10R0.26 CCCC(C)N[C@H](C)C(C)C AIFCHEM-94606116832 [0,1,1,0,0,0|2,0,0]=4 63 B10R0.26 CCC[C@@H](C)NC(C)C(C)C AIFCHEM-94522499833 [0,1,1,0,0,0|2,0,0]=4 64 B10R0.26 CCC[C@@H](C)NC(C)C(C)O AIFCHEM-94547061640 [0,1,1,0,0,0|2,0,0]=4 65 B10R0.26 CCC[C@H](C)NC(C)C(C)C AIFCHEM-94522506868 [0,1,1,0,0,0|2,0,0]=4 66 B10R0.26 CCC[C@H](C)NC(C)C(C)O AIFCHEM-94547068675 [0,1,1,0,0,0|2,0,0]=4 67 B10R0.35 CCCN(C)C(=O)[C@@H](C)OC AIFCHEM-5808893181 [0,1,1,0,0,0|2,0,0]=4 68 B10R1.172 CCC1CN(CCO1)CC AIFCHEM-94537413527 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.172 CC[C@H]1CN(CCO1)CC AIFCHEM-94537415460 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.4 CCCN1CCOCC1C AIFCHEM-94569018601 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.4 CCCN1CCOC[C@@H]1C AIFCHEM-94569017665 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.4 CCCN1CCOC[C@H]1C AIFCHEM-94569022117 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.18 CC(C)NC1CCOCC1 AIFCHEM-94520539429 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.16 CCCNC1CCN(C1)C AIFCHEM-94521371360 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.16 CCCN[C@@H]1CCN(C1)C AIFCHEM-94538646650 [0,1,0,0,1,0|2,0,0]=4 76 B10R1.16 CCCN[C@H]1CCN(C1)C AIFCHEM-94569023430 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.95 CCCN1CCC(C1)(C)O AIFCHEM-94569010947 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.95 CCCN1CC[C@@](C1)(C)O AIFCHEM-94558111044 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.95 CCCN1CC[C@](C1)(C)O AIFCHEM-94569014761 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.29 CCCNC1CCCC1O AIFCHEM-94581021104 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.29 CCCN[C@@H]1CCC[C@@H]1O AIFCHEM-94584443780 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.29 CCCN[C@@H]1CCC[C@H]1O AIFCHEM-94569017210 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.29 CCCN[C@H]1CCC[C@@H]1O AIFCHEM-94569021468 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.29 CCCN[C@H]1CCC[C@H]1O AIFCHEM-94557833107 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.29 CCNCC1CCCN1C AIFCHEM-94537419364 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.29 CCNC[C@@H]1CCCN1C AIFCHEM-94537418524 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.29 CCNC[C@H]1CCCN1C AIFCHEM-94537424203 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.64 CC(C)CN1CCSC1C AIFCHEM-94597270563 [0,1,0,0,1,0|1,1,0]=4 89 B10R1.133 CCCN1CCCC1(C)C AIFCHEM-94522224602 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.1443 CCCN1CCOCC(C1)(C)O AIFCHEM-94569014289 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.13 CCC(CC)N1CCOC(C1)C AIFCHEM-94538330266 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.13 CCC(CC)N1CCO[C@@H](C1)C AIFCHEM-94583866261 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.13 CCC(CC)N1CCO[C@H](C1)C AIFCHEM-94579473452 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.13 CCC(CO)N1CCOC(C1)C AIFCHEM-5770791893 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.13 CCC(CO)N1CCO[C@@H](C1)C AIFCHEM-94583863892 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.13 CCC(CO)N1CCO[C@H](C1)C AIFCHEM-5611359882 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.17 CC(CCO)N1CCO[C@@H](C1)C AIFCHEM-94583864436 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.17 CC(CCO)N1CCO[C@H](C1)C AIFCHEM-94579471627 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.17 CC1CN(CCO1)C(C)CCO AIFCHEM-5713996301 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.28 CCCCNC1CCOC(C1)C AIFCHEM-94570970010 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.50 CC(CF)NC1CCOC(C1)C AIFCHEM-6176055654 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.50 CC(CO)NC1CCOC(C1)C AIFCHEM-6431982971 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.50 CC1CC(CCO1)N[C@@H](C)CF AIFCHEM-6086425137 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.50 CC1CC(CCO1)N[C@@H](C)CO AIFCHEM-6437179697 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.50 CC1CC(CCO1)N[C@H](C)CF AIFCHEM-6089769646 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.50 CC1CC(CCO1)N[C@H](C)CO AIFCHEM-6461062032 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.100 CCCNC1CC(OC(C1)C)C AIFCHEM-5853228637 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.100 CCCNC1C[C@H](O[C@H](C1)C)C AIFCHEM-94521367150 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.226 CC1CC(CCO1)NCC(F)F AIFCHEM-6013977463 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.374 CCCCN1C[C@@H](OC[C@@H]1C)C AIFCHEM-94530516190 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.374 CCCCN1C[C@@H](OC[C@H]1C)C AIFCHEM-94523032770 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.374 CCCCN1C[C@H](OC[C@H]1C)C AIFCHEM-94523032769 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.382 CCCCN1CCOC(C1)CC AIFCHEM-94523038777 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.382 CCCCN1CCO[C@H](C1)CC AIFCHEM-94523031773 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.438 CCC1CN(CCO1)CC(C)C AIFCHEM-94572981801 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.438 CC[C@H]1CN(CCO1)CC(C)C AIFCHEM-94572974797 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.1821 CC(C)CN1CCOC(C1)(C)C AIFCHEM-94522029010 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.137 CCCC(C)NC1CCC1 AIFCHEM-94606120497 [0,0,1,1,0,0|2,0,0]=4 119 B10R1.137 CCC[C@@H](C)NC1CCC1 AIFCHEM-94576043646 [0,0,1,1,0,0|2,0,0]=4 120 B10R1.137 CCC[C@H](C)NC1CCC1 AIFCHEM-94576050681 [0,0,1,1,0,0|2,0,0]=4 121 B10R1.197 CCN1CCCC(CC1)F AIFCHEM-94537414919 [0,0,1,1,0,0|2,0,0]=4 122 B10R2.99 CCN1CC2CC1CO2 AIFCHEM-94537426942 [1,0,0,1,0,0|2,0,0]=4 123 B10R2.99 CCN1C[C@@H]2C[C@H]1CO2 AIFCHEM-94537420105 [1,0,0,1,0,0|2,0,0]=4 124 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 AIFCHEM-94537423397 [1,0,0,1,0,0|2,0,0]=4 125 B10R2.100 CCN1CC2CC(C1)O2 AIFCHEM-94537415252 [1,0,0,1,0,0|2,0,0]=4 126 B10R2.172 CCNC1C2C1COC2 AIFCHEM-94537424486 [1,0,0,1,0,0|2,0,0]=4 127 B10R2.172 CCN[C@H]1[C@H]2[C@@H]1COC2 AIFCHEM-94537411765 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.2313 C[C@@H]1CCCC(C1)N2CCC2 AIFCHEM-94604919686 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.1286 C[C@@H]1CCCC(C1)NC2CC2 AIFCHEM-94573313454 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.2336 CCCNC1CC2CCC1C2 AIFCHEM-94521369815 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.2336 CCCN[C@@H]1C[C@H]2CC[C@@H]1C2 AIFCHEM-94578175032 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.2336 CCCN[C@H]1C[C@@H]2CC[C@H]1C2 AIFCHEM-94569018193 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.3310 CCCN1CCOC2(C1)CC2 AIFCHEM-94569012478 [0,1,0,1,0,0|2,0,0]=4 134 B8R0.15 CCN[C@@H](CC)[C@@H](C)O AIFCHEM-94537421997 [0,0,1,0,1,0|1,0,0]=3 135 B8R1.8 CCNC1CCOC1 AIFCHEM-94537426578 [1,0,0,0,1,0|1,0,0]=3 136 B8R1.8 CCN[C@@H]1CCOC1 AIFCHEM-94537412237 [1,0,0,0,1,0|1,0,0]=3 137 B8R1.8 CCN[C@H]1CCOC1 AIFCHEM-94585471465 [1,0,0,0,1,0|1,0,0]=3