0 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.1 CNc1cnc(cn1)C 27a_100102657272_100000074397 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.1 CSc1cnc(cn1)C 62a_100011999403_200000210301 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.1 CSc1cnc(cn1)C 62a_200000210301_100011999403 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_100011999403_200025704644 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_200025704644_100011999403 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.24 C#CC(=NNC(C)CC)C 4a_100000718999_100000690481 [0,0,1,0,0,0|2,0,1]=4 9 B9R0.24 C=CC(=NNC(C)CC)C 4a_100000718999_200015361842 [0,0,1,0,0,0|2,0,0]=3 10 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,0,1,0,0,0|2,0,1]=4 11 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,0,1,0,0,0|2,0,1]=4 12 B9R0.24 C=CC(C)OCC(C)CC 34a_100000695699_100000748023 [0,0,1,0,0,0|2,0,1]=4 13 B9R0.24 C=CC(C)OC[C@@H](C)CC 34a_100000695699_100009816398 [0,0,1,0,0,0|2,0,1]=4 14 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [0,0,1,0,0,0|2,0,1]=4 15 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [0,0,1,0,0,0|2,0,1]=4 16 B9R0.24 CCC(C)NN=C(C)CF 4a_100000718999_100000039719 [0,0,1,0,0,0|2,0,1]=4 17 B9R0.24 CCC(C)NN=C(C)CO 4a_100000718999_100000211253 [0,0,1,0,0,0|2,0,1]=4 18 B9R0.64 C=C(C)CNC(C)(C)CC 2230a_100000211385_100000748629 [0,0,1,0,0,0|1,0,2]=4 19 B9R0.64 C=C(C)COC(C)(C)CC 7a_100000210230_100000748629 [0,0,1,0,0,0|2,0,1]=4 20 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000032637_100000211660 [0,0,1,0,0,0|2,0,1]=4 21 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000748629_100000032637 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [1,0,1,0,0,0|2,0,0]=4 23 B8R0.6 C=CC(=NNCCC)C 4a_100000740057_200015361842 [1,0,1,0,0,0|2,0,0]=4 24 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [1,0,1,0,0,0|2,0,0]=4 25 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [1,0,1,0,0,0|2,0,0]=4 26 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [1,0,1,0,0,0|2,0,0]=4 27 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [1,0,1,0,0,0|2,0,0]=4 28 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [1,0,1,0,0,0|2,0,0]=4 29 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [1,0,1,0,0,0|2,0,0]=4 30 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [1,0,1,0,0,0|2,0,0]=4 31 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [1,0,1,0,0,0|2,0,0]=4 32 B8R0.9 C=CC(=NNC(C)C)C 4a_100000741168_200015361842 [1,0,1,0,0,0|2,0,0]=4 33 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,1,0,0,0|2,0,0]=4 34 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,1,0,0,0|2,0,0]=4 35 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,0,1,0,0,0|1,0,1]=4 36 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,0,1,0,0,0|1,0,1]=4 37 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,0,1,0,0,0|1,0,1]=4 38 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,0,1,0,0,0|1,0,1]=4 39 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [1,0,1,0,0,0|2,0,0]=4 40 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [1,0,1,0,0,0|2,0,0]=4 41 B10R0.45 C=CC(=NNC(C)CC)CC 4a_100000718999_100000747743 [0,1,1,0,0,0|2,0,0]=4 42 B10R0.45 C=CC(=NNC(CC)CC)C 4a_100000756293_200015361842 [0,1,1,0,0,0|2,0,0]=4 43 B10R0.46 C/C=C(\C)/C(=O)CC(C)CC 1458a_100020587367_100000748023 [0,1,1,0,0,0|2,0,0]=4 44 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100020587367_100009816398 [0,1,1,0,0,0|2,0,0]=4 45 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 11a_100000209981_100020587367 [0,1,1,0,0,0|1,0,1]=4 46 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 1626a_100000209981_100020587367 [0,1,1,0,0,0|1,0,1]=4 47 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [0,1,1,0,0,0|2,0,0]=4 48 B10R0.82 C=C(C)C(=NNC(C)CC)C 4a_100000718999_100011216138 [0,1,1,0,0,0|2,0,0]=4 49 B10R0.108 CC=CC(=NNC(C)CC)C 4a_100000718999_100011218416 [0,1,1,0,0,0|2,0,0]=4 50 B10R0.67 C=C(C)C(=O)NC(C)(C)CC 11a_100000211385_100000185857 [0,1,1,0,0,0|1,0,1]=4 51 B10R0.67 C=C(C)C(=O)NC(C)(C)CC 1626a_100000211385_100000185857 [0,1,1,0,0,0|1,0,1]=4 52 B10R0.67 CCC(C)(C)NC(=O)C(=O)C 1458a_200011297151_200000210301 [0,1,1,0,0,0|1,0,1]=4 53 B10R0.67 CCC(C)(C)NC(=O)C(=O)[13CH3] 1458a_200011297151_200025704644 [0,1,1,0,0,0|1,0,1]=4 54 B10R0.130 CC=CC(=O)C(C)(CC)CC 1458a_100000210699_100009817345 [0,1,1,0,0,0|2,0,0]=4 55 B10R0.157 C/C=C/COC(C)(CC)CC 7a_100000755174_100102629194 [0,1,1,0,0,0|2,0,0]=4 56 B10R0.157 C/C=C/CSC(C)(CC)CC 62a_100009817345_100102629194 [0,1,1,0,0,0|2,0,0]=4 57 B10R0.157 C/C=C/CSC(C)(CC)CC 62a_100102629194_100009817345 [0,1,1,0,0,0|2,0,0]=4 58 B10R0.157 CC=CCOC(C)(CC)CC 7a_100000755174_100000070051 [0,1,1,0,0,0|2,0,0]=4 59 B10R0.157 CC=CCSC(C)(CC)CC 62a_100000070051_100009817345 [0,1,1,0,0,0|2,0,0]=4 60 B10R0.157 CC=CCSC(C)(CC)CC 62a_100009817345_100000070051 [0,1,1,0,0,0|2,0,0]=4 61 B10R1.1 CCNc1cnc(cn1)C 27a_100015525214_100000074397 [1,1,0,0,0,0|0,0,2]=4 62 B10R1.1 CCSc1cnc(cn1)C 62a_100000210202_100011999403 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.1 CCSc1cnc(cn1)C 62a_100011999403_100000210202 [1,1,0,0,0,0|0,0,2]=4 64 B10R1.1 CNCc1cnc(cn1)C 2230a_106832991635_100000752025 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.1 CNCc1cnc(cn1)C 270004a_106832991635_100000685221 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.1 CNCc1cnc(cn1)C 34a_100132314150_200000210301 [1,1,0,0,0,0|0,0,2]=4 67 B10R1.1 CNCc1cnc(cn1)C 7a_106832991635_100000752025 [1,1,0,0,0,0|0,0,2]=4 68 B10R1.1 COCc1cnc(cn1)C 34a_100011273949_200000210301 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.1 CSCc1cnc(cn1)C 62a_100000752025_200000210301 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.1 CSCc1cnc(cn1)C 62a_200000210301_100000752025 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.1 Cc1cnc(cn1)CN[13CH3] 34a_100132314150_200025704644 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.1 Cc1cnc(cn1)CO[13CH3] 34a_100011273949_200025704644 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_100000752025_200025704644 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_200025704644_100000752025 [1,1,0,0,0,0|0,0,2]=4 75 B10R1.377 CC1(CC=CCC1)CO[13CH3] 34a_200000074738_200025704644 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.377 COCC1(CC=CCC1)C 34a_200000074738_200000210301 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.390 CC1=NOC(C1)(C)CN[13CH3] 2230a_100015186269_200025704644 [0,1,0,0,1,0|1,0,1]=4 78 B10R1.390 CNCC1(CC(=NO1)C)C 2230a_100015186269_200000210301 [0,1,0,0,1,0|1,0,1]=4 79 B12R1.3824 CC1=CC[C@@](CC1)(O[13CH3])C(C)C 34a_100015801551_200025704644 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.3824 CC1=CC[C@@](CC1)(O[13CH3])C(C)C 7a_100015801551_200025704644 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.3824 CO[C@]1(CC=C(CC1)C)C(C)C 34a_100015801551_200000210301 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.3824 CO[C@]1(CC=C(CC1)C)C(C)C 7a_100015801551_200000210301 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.14 CCC(C)c1noc(n1)C 270196a_100000752268_100000070787 [0,0,1,1,0,0|1,0,1]=4 84 B10R1.14 CCC(C)n1cc(nn1)C 274090a_100000758301_200000242740 [0,0,1,1,0,0|1,0,1]=4 85 B10R1.151 C=CC(=NNC1CCC1)C 4a_100000736358_200015361842 [0,0,1,1,0,0|2,0,0]=4 86 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,0,1,0,1,0|2,0,0]=4 87 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,0,1,0,1,0|2,0,0]=4 88 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,0,1,0,1,0|1,0,1]=4 89 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,0,1,0,1,0|1,0,1]=4 90 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,0,1,0,1,0|1,0,1]=4 91 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,0,1,0,1,0|1,0,1]=4 92 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,0,1,0,1,0|1,0,1]=4 93 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,0,1,0,1,0|1,0,1]=4 94 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,0,1,0,1,0|2,0,0]=4 95 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,0,1,0,1,0|2,0,0]=4 96 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [1,0,0,0,1,0|1,0,1]=4 97 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [1,0,0,0,1,0|1,0,1]=4 98 B8R1.1 CCn1cc(nn1)C 274090a_100000204670_200000242740 [1,0,0,0,1,0|2,0,0]=4 99 B10R0.59 C/C=C(\C)/C=NNC(C)CC 4a_100000718999_100020587592 [0,0,1,0,0,1|1,0,0]=3 100 B10R0.59 C=CC(=NNCC(O)CC)C 4a_100015206393_200015361842 [0,0,1,0,0,1|2,0,0]=4 101 B10R0.59 CCC(C)C=NNC(C)CC 4a_100000718999_100000243153 [0,0,1,0,0,1|1,0,1]=4 102 B10R0.59 CCC(C)NN=C/C(=C\N)/C 4a_100000718999_100050415766 [0,0,1,0,0,1|1,0,1]=4 103 B10R0.59 CCC(C)NN=CC(=O)OC 4a_100000718999_200011823558 [0,0,1,0,0,1|2,0,0]=4 104 B10R0.65 C=C(C)CCNC(C)(C)CC 2230a_100000211385_100000730704 [0,0,1,0,0,1|2,0,0]=4 105 B10R0.65 C=C(C)CCOC(C)(C)CC 7a_100000210230_100000730704 [0,0,1,0,0,1|2,0,0]=4 106 B10R0.65 C=C(C)CCSC(C)(C)CC 62a_100000032637_100000730704 [0,0,1,0,0,1|2,0,0]=4 107 B10R0.65 C=C(C)CCSC(C)(C)CC 62a_100000730704_100000032637 [0,0,1,0,0,1|2,0,0]=4 108 B10R0.65 C=C(C)COCC(C)(C)CC 7a_100000765029_100000748629 [0,0,1,0,0,1|2,0,0]=4 109 B10R0.65 CCC(C)(C)NCC=C(C)C 2230a_100000211385_100000761012 [0,0,1,0,0,1|1,0,1]=4 110 B10R0.65 CCC(C)(C)OCC=C(C)C 7a_100000210230_100000761012 [0,0,1,0,0,1|2,0,0]=4 111 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000032637_100000761012 [0,0,1,0,0,1|2,0,0]=4 112 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000761012_100000032637 [0,0,1,0,0,1|2,0,0]=4