0 B9R0.17 CCCN(CCC)CCN CSC011200929 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.17 CCCN(CCC)CCO CSC000698546 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.17 CCCN(CCO)CCO CSC011476307 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.17 OCCN(CC=C)CC=C CSC011257722 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.17 OCCN(CCO)CC=C CSC000225910 [0,0,0,0,0,0|1,0,1]=2 5 B10R0.79 CC(O)CN(CCO)CCO CSC011215414 [0,1,0,0,0,0|0,0,0]=1 6 B10R0.79 CCCN(CCC)CC(C)O CSC011366134 [0,1,0,0,0,0|2,0,0]=3 7 B10R0.90 CCCCN(CCO)CCO CSC000225912 [0,1,0,0,0,0|1,0,0]=2 8 B10R0.90 OCCN(CCO)CCC#N CSC000177799 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.5 CCCN1CCCC1CC CSC047626652 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.5 NCCN1CCCC1CN CSC010258945 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.5 OCC1CCCN1CC#N CSC011473912 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.5 OCCN1CCCC1CO CSC011473972 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.5 OCCN1CCC[C@@H]1CO CSC012446830 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.5 OC[C@H]1CCCN1CC#N CSC011594317 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.10 CC1CN(CCN1)CCN CSC016152131 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.10 CC1CN(CCO1)CCN CSC000748911 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.10 CCCN1CCCC(C1)C CSC047234187 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.10 CCCN1CCCC(C1)N CSC011435248 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.10 CCCN1CCSC(C1)C CSC047903786 [0,0,0,1,0,0|2,1,0]=4 20 B10R1.10 C[C@@H]1CN(CCN1)CCN CSC033394115 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.10 C[C@H]1CN(CCN1)CCN CSC032213674 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.10 NCCN1CCCC(C1)N CSC046225246 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.10 NCCN1CCCC(C1)O CSC011318664 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.10 NCCN1CCC[C@H](C1)N CSC046095498 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.10 NCCN1CCC[C@H](C1)O CSC010278773 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.10 OC1CCCN(C1)CC#N CSC000234452 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.10 O[C@H]1CCCN(C1)CC#N CSC014194703 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.85 N#CCN1CCCOCC1 CSC011599115 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.85 NCCN1CCCOCC1 CSC000709817 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.85 OCCN1CCCOCC1 CSC011783524 [0,0,0,1,0,0|1,0,0]=2 32 B10R1.131 CC1CN(CC1N)CCN CSC034576240 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.131 CCCN1CC(C(C1)C)C CSC046148204 [0,0,0,1,0,0|3,0,0]=4 34 B9R0.15 CC(C)N(CCO)CCO CSC000225911 [1,1,0,0,0,0|0,0,0]=2 35 B9R0.40 CCCC(CC)NCCO CSC011608062 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.40 CCCCN(CC)CCN CSC011208488 [1,1,0,0,0,0|2,0,0]=4 37 B11R0.97 CCS(=O)(=O)N(CCO)CCO CSC011436063 [0,2,0,0,0,0|2,0,0]=4 38 B11R0.35 CC(O)CN(CCO)CC(C)O CSC011995691 [0,2,0,0,0,0|0,0,0]=2 39 B11R0.279 CCCN(CCC)CC(O)CC CSC011366135 [0,2,0,0,0,0|2,0,0]=4 40 B11R0.80 CCCCCN(CCO)CCO CSC000225913 [0,2,0,0,0,0|1,0,0]=3 41 B11R0.158 CCCCN(CCO)CCCC CSC000227989 [0,2,0,0,0,0|2,0,0]=4 42 B11R0.158 OCCN(CCC#N)CCC#N CSC046133182 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.8 NCCN1CCSCC1 CSC000755026 [1,0,0,1,0,0|1,1,0]=4 44 B11R1.13 CCCN1CCOC(C1C)C CSC049113804 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.23 CC1CN(CCO1)C(=O)CO CSC011315799 [0,1,0,1,0,0|1,0,1]=4 46 B11R1.23 CCC(C)N1CCOC(C1)C CSC015387323 [0,1,0,1,0,0|2,0,0]=4 47 B11R1.23 CCC(C)N1CCO[C@H](C1)C CSC015443214 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.23 C[C@H]1CN(CCO1)C(=O)CO CSC047571423 [0,1,0,1,0,0|1,0,1]=4 49 B11R1.41 CCCN1CCOCC1CC CSC047969828 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.182 CCCN1CC(OCC1C)C CSC046101414 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.34 CCCN1C[C@H](O[C@H](C1)C)C [0,1,0,1,0,0|2,0,0]=4 52 B11R1.34 C[C@H]1CN(C[C@H](O1)C)CCN [0,1,0,1,0,0|2,0,0]=4 53 B11R1.57 CC(O)CN1CCCC1CO CSC011473977 [0,1,0,1,0,0|1,0,0]=3 54 B11R1.57 CC(O)CN1CCC[C@@H]1CO CSC012446890 [0,1,0,1,0,0|1,0,0]=3 55 B11R1.110 CC1CN(CCCO1)CCO CSC011783513 [0,1,0,1,0,0|1,0,0]=3 56 B11R1.157 CC(C)CN1CCOC(C1)C CSC046208235 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.157 CC(C)CN1CCO[C@H](C1)C CSC015826093 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.157 CC(O)CN1CCCC(C1)O CSC011477882 [0,1,0,1,0,0|1,0,0]=3 59 B11R1.157 CC(O)CN1CCC[C@@H](C1)O CSC014194658 [0,1,0,1,0,0|1,0,0]=3 60 B11R1.188 CC1(CN(CC1O)CCO)C CSC015300860 [0,1,0,1,0,0|1,0,0]=3 61 B11R1.342 CCCN1CCOC(C1)(C)C CSC046732743 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.742 CC(N)CN1CCCOCC1 CSC011783123 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.742 CC(O)CN1CCCCCC1 CSC011366126 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.742 CC(O)CN1CCCOCC1 CSC011783528 [0,1,0,1,0,0|1,0,0]=3 65 B11R1.24 CC1CN(CCO1)CCC#N CSC000241726 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.24 CCCCN1CCOC(C1)C CSC015426280 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.24 CCCCN1CCO[C@H](C1)C CSC015827533 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.24 COCCN1CCCC(C1)C CSC046097459 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.24 OC1CCCN(C1)CCC#N CSC000178039 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.24 OCCCN1CCCC(C1)O CSC000213728 [0,1,0,1,0,0|1,0,0]=3 71 B11R1.24 OCCCN1CCC[C@@H](C1)O CSC014194709 [0,1,0,1,0,0|1,0,0]=3 72 B11R1.24 O[C@H]1CCCN(C1)CCC#N CSC014194584 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.109 COCC1CCCN1CCN CSC010278135 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.109 COCC1CCCN1CCO CSC021656350 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.189 CCCN1CCOC(C1)CC CSC048375204 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.189 COC1CCCN(C1)CCN CSC012178895 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.189 COC1CCCN(C1)CCO CSC012621545 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.203 COCCN1CCCNCC1 CSC000740549 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.203 N#CCCN1CCCOCC1 CSC011599129 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.203 OCCCN1CCCOCC1 CSC011599119 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.231 COCCN1CC(C(C1)C)C CSC046202329 [0,1,0,1,0,0|2,0,0]=4 85 B11R2.248 OCCN1CC2CCC1C2 CSC011499663 [0,0,0,2,0,0|2,0,0]=4