0 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,0,0,0,0,0|2,1,0]=3 1 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,0,0,0,0,0|2,1,0]=3 2 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,0,0,0,0,0|2,1,0]=3 3 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,0,0,0,0,0|3,1,0]=4 10 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,0,0,0,0,0|3,1,0]=4 11 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,0,0,0,0,0|3,1,0]=4 12 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,0,0,0,0,0|3,1,0]=4 13 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,0,0,0,0,0|3,1,0]=4 14 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,0,0,0,0,0|3,1,0]=4 15 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,0,0,0,0,0|3,1,0]=4 16 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,0,0,0,0,0|3,1,0]=4 17 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,0,0,0,0,0|3,1,0]=4 18 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,0,0,0,0,0|3,1,0]=4 19 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,0,0,0,0,0|3,1,0]=4 20 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,0,0,0,0,0|3,1,0]=4 21 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,0,0,0,0,0|3,1,0]=4 22 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,0,0,0,0,0|3,1,0]=4 23 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,0,0,0,0,0|1,1,0]=2 24 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,0,0,0,0,0|1,1,0]=2 25 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,0,0,0,0,0|1,1,0]=2 26 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,0,0,0,0,0|1,1,0]=2 27 B7R0.15 CCN(CC)C(C)C 2230a_100000223864_100000210202 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.15 CCN(CC)C(C)C 2230a_100000724800_100000210206 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.15 CCN(CC)C(C)C 269956a_100000042499_100000210206 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.15 CCN(CC)C(C)C 269982a_100000223864_100000204670 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.15 CCN(CC)C(C)C 269982a_100000724800_100000210206 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.15 CCN(CF)C(C)C 269982a_100000223864_100015361967 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,0,0,0,0,0|2,2,0]=4 34 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,0,0,0,0,0|2,2,0]=4 35 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|2,1,0]=4 36 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|2,1,0]=4 37 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|2,1,0]=4 38 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|1,1,0]=3 39 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|1,1,0]=3 40 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|1,1,0]=3 41 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|1,1,0]=3 42 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [1,0,0,0,0,0|1,0,1]=3 66 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [1,0,0,0,0,0|1,0,1]=3 68 B8R0.15 C#CCN(CC)C(=O)C 11a_100000744766_100015343762 [0,1,0,0,0,0|1,1,1]=4 69 B8R0.15 C#CCN(CC)C(=O)C 1626a_100000744766_100015343762 [0,1,0,0,0,0|1,1,1]=4 70 B8R0.15 C#CCN(CC)C(=O)C 240690a_100000744766_100015343762 [0,1,0,0,0,0|1,1,1]=4 71 B8R0.15 C#CCN(CC)C(=O)C 527a_100000744766_100103153847 [0,1,0,0,0,0|1,1,1]=4 72 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,0,0,0,0|2,1,0]=4 73 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,0,0,0,0|2,1,0]=4 74 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,0,0,0,0|2,1,0]=4 75 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,1,0,0,0,0|1,1,0]=3 76 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,1,0,0,0,0|1,1,0]=3 77 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,1,0,0,0,0|1,1,0]=3 78 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,1,0,0,0,0|1,1,0]=3 79 B8R0.15 CCCN(CC)C(C)C 2230a_100000223864_100000210303 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.15 CCCN(CC)C(C)C 2230a_100000226822_100000210206 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.15 CCCN(CC)C(C)C 2230a_106256033942_100000210202 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.15 CCCN(CC)C(C)C 269982a_100000223864_100000210303 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.15 CCCN(CC)C(C)C 269982a_100000226822_100000210206 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.15 CCCN(CC)C(C)C 269982a_106256033942_100000204670 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.15 CCN(CCF)C(C)C 2230a_100000223864_100011217306 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.15 CCN(CCF)C(C)C 269982a_100000223864_100011217306 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,1,0,0,0,0|1,1,0]=3 88 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,1,0,0,0,0|1,1,0]=3 89 B8R0.15 CCN(CCO)C(C)C 2230a_100000210973_100000210206 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.15 CCN(CCO)C(C)C 2230a_100000223864_100000211926 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.15 CCN(CCO)C(C)C 2230a_100000224655_100000210202 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.15 CCN(CCO)C(C)C 269982a_100000210973_100000210206 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.15 CCN(CCO)C(C)C 269982a_100000223864_100000211926 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.15 CCN(CCO)C(C)C 269982a_100000224655_100000204670 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.15 CCN(COC)C(C)C 2230a_100000223864_100000766300 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.15 CCN(COC)C(C)C 269982a_100000223864_100000766300 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.15 CCN(CSC)C(C)C 2230a_100000223864_100011218213 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.15 CCN(CSC)C(C)C 269982a_100000223864_100011218213 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,1,0,0,0,0|2,1,0]=4 100 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,1,0,0,0,0|2,1,0]=4 101 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,1,0,0,0,0|2,1,0]=4 102 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,1,0,0,0,0|1,2,0]=4 103 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,1,0,0,0,0|2,1,0]=4 104 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,1,0,0,0,0|2,1,0]=4 105 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,1,0,0,0,0|2,1,0]=4 106 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,1,0,0,0,0|1,1,0]=3 107 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,1,0,0,0,0|1,1,0]=3 108 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,1,0,0,0,0|1,1,0]=3 109 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,1,0,0,0,0|1,1,0]=3 110 B8R0.18 CCN(C(C)C)C(C)C 2230a_100000086832_100000210202 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.18 CCN(C(C)C)C(C)C 2230a_100000223864_100000210206 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.18 CCN(C(C)C)C(C)C 269982a_100000086832_100000204670 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.18 CCN(C(C)C)C(C)C 269982a_100000223864_100000210206 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.18 CCN(C(C)C)C(C)C 34a_100000086832_100000210202 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,1,0,0,0,0|2,1,0]=4 116 B8R0.20 C#CC(C)N(CC)CC 269956a_100000042499_200000035995 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,1,0,0,0,0|2,1,0]=4 118 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [0,1,0,0,0,0|1,1,0]=3 119 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [0,1,0,0,0,0|1,1,0]=3 120 B8R0.20 C=CC(C)N(CC)CC 269956a_100000042499_100011215867 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.20 C=CC(C)N(CC)CC 269982a_100000724800_100011215867 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,1,0,0,0,0|2,1,0]=4 123 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,1,0,0,0,0|2,1,0]=4 124 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,1,0,0,0,0|1,1,0]=3 125 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,1,0,0,0,0|1,1,0]=3 126 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,1,0,0,0,0|1,1,0]=3 127 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,1,0,0,0,0|1,1,0]=3 128 B8R0.20 CCC(C)N(CC)CC 2230a_100000724800_100000758301 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.20 CCC(C)N(CC)CC 2230a_100000732650_100000210202 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.20 CCC(C)N(CC)CC 269956a_100000042499_100000758301 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.20 CCC(C)N(CC)CC 269982a_100000724800_100000758301 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.20 CCC(C)N(CC)CC 269982a_100000732650_100000204670 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,1,0,0,0,0|2,1,0]=4 134 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,1,0,0,0,0|1,2,0]=4 135 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,1,0,0,0,0|2,1,0]=4 136 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,1,0,0,0,0|2,1,0]=4 137 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,1,0,0,0,0|2,1,0]=4 138 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,1,0,0,0,0|2,1,0]=4 139 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,1,0,0,0,0|0,2,0]=3 140 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,1,0,0,0,0|0,2,0]=3 141 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,1,0,0,0,0|1,1,0]=3 142 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,1,0,0,0,0|1,1,0]=3 143 B8R0.20 CCN(CC)C(C)C#N 2230a_100000724800_100000184139 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.20 CCN(CC)C(C)C#N 269956a_100000042499_100000184139 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.20 CCN(CC)C(C)C#N 269982a_100000724800_100000703298 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.20 CCN(CC)C(C)CO 2230a_100000724800_100012180447 [0,1,0,0,0,0|1,1,1]=4 147 B8R0.20 CCN(CC)C(C)CO 2230a_100000731049_100000210202 [0,1,0,0,0,0|1,1,1]=4 148 B8R0.20 CCN(CC)C(C)CO 269982a_100000731049_100000204670 [0,1,0,0,0,0|1,1,1]=4 149 B8R0.20 CCN(CC)C(C)OC 269956a_100000042499_100009879195 [0,1,0,0,0,0|1,1,1]=4 150 B8R0.20 CCN(CC)C(C)OC 269982a_100000724800_100009879195 [0,1,0,0,0,0|1,1,1]=4 151 B8R0.20 CCN(CC)[C@H](C)CO 269956a_100000042499_100016084084 [0,1,0,0,0,0|1,1,1]=4 152 B8R0.20 CCN(CC)[C@H](C)CO 269982a_100000724800_100016084084 [0,1,0,0,0,0|1,1,1]=4 153 B8R0.26 CCN(CC)C(C)(C)C 2230a_100011200764_100000210202 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.26 CCN(CC)C(C)(C)C 269956a_100000042499_100000211941 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.26 CCN(CC)C(C)(C)C 269982a_100000724800_100000210625 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.26 CCN(CC)C(C)(C)C 269982a_100011200764_100000204670 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.26 CCN(CC)C(F)(F)F 269956a_100000042499_200000243211 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.26 CCN(CC)C(F)(F)F 269982a_100000724800_200000243211 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.26 CCN(CC)S(=O)(=O)C 40a_100000724800_100000738038 [0,1,0,0,0,0|1,2,0]=4 160 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,1,0,0,0,0|2,1,0]=4 161 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,1,0,0,0,0|2,1,0]=4 162 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,1,0,0,0,0|2,1,0]=4 163 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,0,0|2,1,0]=4 164 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,0,0|2,1,0]=4 165 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,1,0,0|1,1,0]=3 166 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,1,0,0|1,1,0]=3 167 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,1,0,0|2,1,0]=4 168 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,1,0,0|2,1,0]=4 169 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,1,0,0|2,1,0]=4 170 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,0,0|2,1,0]=4 173 B8R1.11 CC1SCCN1CF 269982a_200011216479_100015361967 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.11 CC1SCCN1CF 34a_200011216479_100015361967 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [0,0,0,1,0,0|1,0,1]=3 181 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [0,0,0,1,0,0|1,0,1]=3 182 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [0,0,0,1,0,0|1,0,1]=3 183 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,0|1,1,0]=3 184 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,0|1,1,0]=3 185 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,0|1,1,0]=3 186 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [0,0,0,1,0,0|2,0,1]=4 188 B8R1.33 CCN(CC)C1CC1 2230a_100000738653_100000210202 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.33 CCN(CC)C1CC1 269956a_100000042499_100000211595 [0,0,0,1,0,0|2,0,1]=4 190 B8R1.33 CCN(CC)C1CC1 269982a_100000724800_100000211595 [0,0,0,1,0,0|2,0,1]=4 191 B8R1.33 CCN(CC)C1CC1 269982a_100000738653_100000204670 [0,0,0,1,0,0|2,0,1]=4 192 B8R0.16 C=C(C)CN(CC)CC 2230a_100000211296_100000210202 [0,0,0,0,0,1|2,0,0]=3 193 B8R0.16 C=C(C)CN(CC)CC 2230a_100000724800_100000748629 [0,0,0,0,0,1|2,0,0]=3 194 B8R0.16 C=C(C)CN(CC)CC 269956a_100000042499_100000748629 [0,0,0,0,0,1|2,0,0]=3 195 B8R0.16 C=C(C)CN(CC)CC 269982a_100000211296_100000204670 [0,0,0,0,0,1|2,0,0]=3 196 B8R0.16 C=C(C)CN(CC)CC 269982a_100000724800_100000748629 [0,0,0,0,0,1|2,0,0]=3 197 B8R0.16 C=C(C)CN(CC)CF 269982a_100000211296_100015361967 [0,0,0,0,0,1|3,0,0]=4 198 B8R0.16 C=C(F)CN(CC)CC 2230a_100000724800_100009893438 [0,0,0,0,0,1|2,0,0]=3 199 B8R0.16 C=C(F)CN(CC)CC 269956a_100000042499_100000042424 [0,0,0,0,0,1|2,0,0]=3 200 B8R0.16 C=C(F)CN(CC)CC 269982a_100000724800_100009893438 [0,0,0,0,0,1|2,0,0]=3 201 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,0,0,0,0,1|2,1,0]=4 202 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,0,0,0,0,1|2,1,0]=4 203 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,0,0,0,0,1|2,1,0]=4 204 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,0,0,0,0,1|2,1,0]=4 205 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,0,0,0,0,1|2,1,0]=4 206 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,0,0,0,0,1|1,1,0]=3 207 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,0,0,0,0,1|1,1,0]=3 208 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,0,0,0,0,1|1,1,0]=3 209 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,0,0,0,0,1|1,1,0]=3 210 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,0,0,0,0,1|0,2,0]=3 211 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,0,0,0,0,1|1,1,0]=3 212 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,0,0,0,0,1|0,2,0]=3 213 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,0,0,0,0,1|0,2,0]=3 214 B8R0.16 CCN(CC)CC(C)C 2230a_100000724800_100000210760 [0,0,0,0,0,1|2,0,1]=4 215 B8R0.16 CCN(CC)CC(C)C 2230a_100000738554_100000210202 [0,0,0,0,0,1|2,0,1]=4 216 B8R0.16 CCN(CC)CC(C)C 269956a_100000042499_100000210760 [0,0,0,0,0,1|2,0,1]=4 217 B8R0.16 CCN(CC)CC(C)C 269982a_100000724800_100000210624 [0,0,0,0,0,1|2,0,1]=4 218 B8R0.16 CCN(CC)CC(C)C 269982a_100000738554_100000204670 [0,0,0,0,0,1|2,0,1]=4 219 B8R0.16 CCN(CC)CC(C)C 270004a_100000724800_100000210432 [0,0,0,0,0,1|2,0,1]=4 220 B8R0.16 CCN(CC)CC(C)O 2230a_100000724800_100011218427 [0,0,0,0,0,1|1,1,1]=4 221 B8R0.16 CCN(CC)CC(C)O 269956a_100000042499_100011218427 [0,0,0,0,0,1|1,1,1]=4 222 B8R0.16 CCN(CC)CC(C)O 269982a_100000724800_100011218427 [0,0,0,0,0,1|1,1,1]=4 223 B8R0.16 CCN(CC)CC(F)F 2230a_100000724800_100011934356 [0,0,0,0,0,1|2,0,1]=4 224 B8R0.16 CCN(CC)CC(F)F 269956a_100000042499_100011934356 [0,0,0,0,0,1|2,0,1]=4 225 B8R0.16 CCN(CC)CC(F)F 269982a_100000724800_100011934356 [0,0,0,0,0,1|2,0,1]=4 226 B8R0.16 CCN(CC)C[C@@H](C)O 2230a_100000724800_100009817552 [0,0,0,0,0,1|1,1,1]=4 227 B8R0.16 CCN(CC)C[C@@H](C)O 269956a_100000042499_100009817552 [0,0,0,0,0,1|1,1,1]=4 228 B8R0.16 CCN(CC)C[C@@H](C)O 269982a_100000724800_100009817552 [0,0,0,0,0,1|1,1,1]=4 229 B8R0.16 CCN(CC)C[C@H](C)O 2230a_100000729506_100000210202 [0,0,0,0,0,1|1,1,1]=4 230 B8R0.16 CCN(CC)C[C@H](C)O 269982a_100000729506_100000204670 [0,0,0,0,0,1|1,1,1]=4 231 B8R0.16 CCN(CC)C[N+](=O)[O-] 269956a_100000042499_100000761209 [0,0,0,0,0,1|1,2,0]=4 232 B8R0.16 CCN(CC)C[N+](=O)[O-] 269982a_100000724800_100000761209 [0,0,0,0,0,1|1,2,0]=4 233 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,0,0,0,0,1|1,2,0]=4 234 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,0,0,0,0,1|1,2,0]=4 235 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,1,0]=4 236 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,1,0]=4 237 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,1,0]=4 238 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|1,1,0]=4 239 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|0,0,1]=3 240 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|0,0,1]=3 241 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|0,0,1]=3 242 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|0,0,1]=3 243 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|0,0,1]=3 244 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [2,0,0,0,0,0|1,0,1]=4 245 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|0,0,1]=3 246 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|0,0,1]=3 247 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|0,0,1]=3 248 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [2,0,0,0,0,0|1,1,0]=4 249 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [2,0,0,0,0,0|1,1,0]=4 250 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [2,0,0,0,0,0|1,1,0]=4 251 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [2,0,0,0,0,0|1,1,0]=4 252 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,1,0,0,0,0|1,1,0]=4 253 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,1,0,0,0,0|1,1,0]=4 254 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,1,0,0,0,0|1,1,0]=4 255 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,1,0,0,0,0|1,1,0]=4 256 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,1,0,0,0,0|1,1,0]=4 257 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,1,0,0,0,0|1,1,0]=4 258 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,1,0,0,0,0|1,1,0]=4 259 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,1,0,0,0,0|1,1,0]=4 260 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,1,0]=4 261 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,1,0]=4 262 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,1,0]=4 263 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,1,0]=4 264 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|0,2,0]=4 265 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|0,2,0]=4 266 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|1,1,0]=4 267 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|1,1,0]=4 268 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,1,0,0,0,0|1,1,0]=4 269 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,1,0,0,0,0|1,1,0]=4 270 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,1,0,0,0,0|1,1,0]=4 271 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,1,0,0,0,0|1,1,0]=4 272 B7R0.12 C#CCN(CC)CC 2230a_100000724800_100000038162 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.12 C#CCN(CC)CC 2230a_100000744766_100000210202 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.12 C#CCN(CC)CC 269956a_100000042499_100000184674 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.12 C#CCN(CC)CC 269982a_100000744766_100000204670 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [1,1,0,0,0,0|1,0,0]=3 280 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [1,1,0,0,0,0|1,0,1]=4 289 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [1,1,0,0,0,0|1,0,1]=4 290 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.12 CCN(CC)CC#N 2230a_100000724800_100011215382 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.12 CCN(CC)CC#N 269956a_100000042499_100011215382 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.12 CCN(CC)CC#N 269982a_100000724800_100011214920 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [1,1,0,0,0,0|0,1,0]=3 295 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [1,1,0,0,0,0|0,1,0]=3 296 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [1,1,0,0,0,0|0,1,0]=3 297 B7R0.12 CCN(CC)CCF 2230a_100000724800_100011217306 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.12 CCN(CC)CCF 269956a_100000042499_100011217306 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.12 CCN(CC)CCF 269982a_100000724800_100011217306 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.12 CCN(CC)CCO 2230a_100000210973_100000210202 [1,1,0,0,0,0|0,1,1]=4 301 B7R0.12 CCN(CC)CCO 2230a_100000724800_100000211926 [1,1,0,0,0,0|0,1,1]=4 302 B7R0.12 CCN(CC)CCO 269956a_100000042499_100000211926 [1,1,0,0,0,0|0,1,1]=4 303 B7R0.12 CCN(CC)CCO 269982a_100000210973_100000204670 [1,1,0,0,0,0|0,1,1]=4 304 B7R0.12 CCN(CC)CCO 269982a_100000724800_100000211926 [1,1,0,0,0,0|0,1,1]=4 305 B7R0.12 CCN(CC)COC 2230a_100000724800_100000766300 [1,1,0,0,0,0|0,1,1]=4 306 B7R0.12 CCN(CC)COC 269956a_100000042499_100000766300 [1,1,0,0,0,0|0,1,1]=4 307 B7R0.12 CCN(CC)COC 269982a_100000724800_100000766300 [1,1,0,0,0,0|0,1,1]=4 308 B7R0.12 CCN(CC)COC 7a_200015374951_200000210301 [1,1,0,0,0,0|0,1,1]=4 309 B7R0.12 CCN(CC)CO[13CH3] 7a_200015374951_200025704644 [1,1,0,0,0,0|0,1,1]=4 310 B7R0.12 CCN(CC)CSC 2230a_100000724800_100011218213 [1,1,0,0,0,0|0,0,1]=3 311 B7R0.12 CCN(CC)CSC 269956a_100000042499_100011218213 [1,1,0,0,0,0|0,0,1]=3 312 B7R0.12 CCN(CC)CSC 269982a_100000724800_100011218213 [1,1,0,0,0,0|0,0,1]=3 313 B7R0.12 CCN(CF)CCO 269982a_100000210973_100015361967 [1,1,0,0,0,0|1,0,1]=4 314 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000211296_100000210303 [0,1,0,0,0,1|2,0,0]=4 315 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000226822_100000748629 [0,1,0,0,0,1|2,0,0]=4 316 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000211296_100000210303 [0,1,0,0,0,1|2,0,0]=4 317 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000226822_100000748629 [0,1,0,0,0,1|2,0,0]=4 318 B9R0.14 C=C(C)CN(CC)CCF 2230a_100000211296_100011217306 [0,1,0,0,0,1|2,0,0]=4 319 B9R0.14 C=C(C)CN(CC)CCF 269982a_100000211296_100011217306 [0,1,0,0,0,1|2,0,0]=4 320 B9R0.14 C=C(C)CN(CC)CCO 2230a_100000210973_100000748629 [0,1,0,0,0,1|2,0,0]=4 321 B9R0.14 C=C(C)CN(CC)CCO 2230a_100000211296_100000211926 [0,1,0,0,0,1|2,0,0]=4 322 B9R0.14 C=C(C)CN(CC)CCO 269982a_100000210973_100000748629 [0,1,0,0,0,1|2,0,0]=4 323 B9R0.14 C=C(C)CN(CC)CCO 269982a_100000211296_100000211926 [0,1,0,0,0,1|2,0,0]=4 324 B9R0.14 C=C(C)CN(CC)COC 2230a_100000211296_100000766300 [0,1,0,0,0,1|2,0,0]=4 325 B9R0.14 C=C(C)CN(CC)COC 269982a_100000211296_100000766300 [0,1,0,0,0,1|2,0,0]=4 326 B9R0.14 C=C(C)CN(CC)CSC 2230a_100000211296_100011218213 [0,1,0,0,0,1|2,0,0]=4 327 B9R0.14 C=C(C)CN(CC)CSC 269982a_100000211296_100011218213 [0,1,0,0,0,1|2,0,0]=4 328 B9R0.14 C=C(F)CN(CC)CCC 2230a_100000226822_100009893438 [0,1,0,0,0,1|2,0,0]=4 329 B9R0.14 C=C(F)CN(CC)CCC 269982a_100000226822_100009893438 [0,1,0,0,0,1|2,0,0]=4 330 B9R0.14 C=C(F)CN(CC)CCO 2230a_100000210973_100009893438 [0,1,0,0,0,1|2,0,0]=4 331 B9R0.14 C=C(F)CN(CC)CCO 269982a_100000210973_100009893438 [0,1,0,0,0,1|2,0,0]=4 332 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,1,0,0,0,1|1,1,0]=4 333 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,1,0,0,0,1|1,1,0]=4 334 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,1,0,0,0,1|0,2,0]=4 335 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,1,0,0,0,1|0,2,0]=4 336 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [0,1,0,0,0,1|0,2,0]=4 337 B9R0.14 CCN(CCO)CC(=O)N 2230a_100000210973_100000747473 [0,1,0,0,0,1|1,1,0]=4 338 B9R0.14 CCN(CCO)CC(=O)N 269982a_100000210973_100000187820 [0,1,0,0,0,1|1,1,0]=4 339 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [0,1,0,0,0,1|0,2,0]=4 340 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [0,1,0,0,0,1|0,2,0]=4 341 B9R0.14 CCN(CCO)CC(=O)[O-] 269982a_100000210973_100020667443 [0,1,0,0,0,1|0,2,0]=4 342 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,1,0,0,0,1|0,2,0]=4 343 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [0,1,0,0,0,1|0,2,0]=4 344 B9R0.26 C=C(C#N)CN(CC)CC 2230a_100000724800_100000694840 [0,1,0,0,0,1|2,0,0]=4 345 B9R0.26 C=C(C#N)CN(CC)CC 269956a_100000042499_100000694840 [0,1,0,0,0,1|2,0,0]=4 346 B9R0.26 C=C(C#N)CN(CC)CC 269982a_100000724800_100000694840 [0,1,0,0,0,1|2,0,0]=4 347 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [0,1,0,0,0,1|1,1,0]=4 348 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [0,1,0,0,0,1|1,1,0]=4 349 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [0,1,0,0,0,1|1,1,0]=4 350 B9R0.26 CCN(CC)CC(=O)CF 1458a_100000758533_100015361967 [0,1,0,0,0,1|1,1,0]=4 351 B9R0.26 CCN(CC)CC(=O)NC 11a_106832991635_100000758533 [0,1,0,0,0,1|1,1,0]=4 352 B9R0.26 CCN(CC)CC(=O)NC 1626a_100102657272_100000758533 [0,1,0,0,0,1|1,1,0]=4 353 B9R0.26 CCN(CC)CC(=O)NC 2230a_100000724800_100000183359 [0,1,0,0,0,1|1,1,0]=4 354 B9R0.26 CCN(CC)CC(=O)NC 240690a_100102657272_100000758533 [0,1,0,0,0,1|1,1,0]=4 355 B9R0.26 CCN(CC)CC(=O)NC 269956a_100000042499_100000183359 [0,1,0,0,0,1|1,1,0]=4 356 B9R0.26 CCN(CC)CC(=O)NC 269982a_100000724800_100000183359 [0,1,0,0,0,1|1,1,0]=4 357 B9R0.26 CCN(CC)CC(=O)NC 527a_100102657272_100000758533 [0,1,0,0,0,1|1,1,0]=4 358 B9R0.26 CCN(CC)CC(=O)OC 2230a_100000724800_100000747449 [0,1,0,0,0,1|0,2,0]=4 359 B9R0.26 CCN(CC)CC(=O)OC 269956a_100000042499_100000747449 [0,1,0,0,0,1|0,2,0]=4 360 B9R0.26 CCN(CC)CC(=O)OC 269982a_100000724800_100000747449 [0,1,0,0,0,1|0,2,0]=4 361 B9R0.39 C=C(C)CN(CC)C(C)C 2230a_100000211296_100000210206 [0,1,0,0,0,1|2,0,0]=4 362 B9R0.39 C=C(C)CN(CC)C(C)C 2230a_100000223864_100000748629 [0,1,0,0,0,1|2,0,0]=4 363 B9R0.39 C=C(C)CN(CC)C(C)C 269982a_100000211296_100000210206 [0,1,0,0,0,1|2,0,0]=4 364 B9R0.39 C=C(C)CN(CC)C(C)C 269982a_100000223864_100000748629 [0,1,0,0,0,1|2,0,0]=4 365 B9R0.39 C=C(F)CN(CC)C(C)C 2230a_100000223864_100009893438 [0,1,0,0,0,1|2,0,0]=4 366 B9R0.39 C=C(F)CN(CC)C(C)C 269982a_100000223864_100009893438 [0,1,0,0,0,1|2,0,0]=4 367 B9R0.39 CCN(CC(=O)N)C(C)C 2230a_100000223864_100000747473 [0,1,0,0,0,1|1,1,0]=4 368 B9R0.39 CCN(CC(=O)N)C(C)C 269982a_100000223864_100000187820 [0,1,0,0,0,1|1,1,0]=4 369 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,1,0,0,0,1|0,2,0]=4 370 B9R0.39 CCN(CC(=O)[O-])C(C)C 269982a_100000223864_100020667443 [0,1,0,0,0,1|0,2,0]=4 371 B9R0.41 C=C(Br)C(=O)N(CC)CC 11a_100000724800_100009813364 [0,1,0,0,0,1|2,0,0]=4 372 B9R0.41 C=C(Br)C(=O)N(CC)CC 1626a_100000724800_100009813364 [0,1,0,0,0,1|2,0,0]=4 373 B9R0.41 C=C(C)C(=O)N(CC)CC 11a_100000724800_100000185857 [0,1,0,0,0,1|2,0,0]=4 374 B9R0.41 C=C(C)C(=O)N(CC)CC 1626a_100000724800_100000185857 [0,1,0,0,0,1|2,0,0]=4 375 B9R0.41 C=C(Cl)C(=O)N(CC)CC 11a_100000724800_100000039160 [0,1,0,0,0,1|2,0,0]=4 376 B9R0.41 C=C(Cl)C(=O)N(CC)CC 1626a_100000724800_100000039160 [0,1,0,0,0,1|2,0,0]=4 377 B9R0.41 C=C(F)C(=O)N(CC)CC 11a_100000724800_100000036797 [0,1,0,0,0,1|2,0,0]=4 378 B9R0.41 C=C(F)C(=O)N(CC)CC 1626a_100000724800_100000036797 [0,1,0,0,0,1|2,0,0]=4 379 B9R0.41 CCN(CC)C(=O)C(=O)C 1458a_200000187824_200000210301 [0,1,0,0,0,1|1,1,0]=4 380 B9R0.41 CCN(CC)C(=O)C(=O)N 240690a_100000724800_100011215815 [0,1,0,0,0,1|1,1,0]=4 381 B9R0.41 CCN(CC)C(=O)C(=O)[13CH3] 1458a_200000187824_200025704644 [0,1,0,0,0,1|1,1,0]=4 382 B9R0.41 CCN(CC)C(C)C(=O)C 2230a_100000724800_100009814033 [0,1,0,0,0,1|1,1,0]=4 383 B9R0.41 CCN(CC)C(C)C(=O)C 269956a_100000042499_100009814033 [0,1,0,0,0,1|1,1,0]=4 384 B9R0.41 CCN(CC)C(C)C(=O)C 269982a_100000724800_100009814033 [0,1,0,0,0,1|1,1,0]=4 385 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100000724800_100000702099 [0,1,0,0,0,1|1,1,0]=4 386 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100020603310_100000210202 [0,1,0,0,0,1|1,1,0]=4 387 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100000724800_100000184083 [0,1,0,0,0,1|1,1,0]=4 388 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100020603310_100000204670 [0,1,0,0,0,1|1,1,0]=4 389 B9R0.41 CCN(CC)C(F)C(=O)N 2230a_100000724800_100009813875 [0,1,0,0,0,1|1,1,0]=4 390 B9R0.41 CCN(CC)C(F)C(=O)N 269982a_100000724800_100009813875 [0,1,0,0,0,1|1,1,0]=4 391 B9R0.12 C=CC(=O)N(CC)CCC 1626a_100000226822_100000185746 [0,2,0,0,0,0|1,1,0]=4 392 B9R0.12 C=CC(=O)N(CC)CCC 240690a_100000226822_200121576911 [0,2,0,0,0,0|1,1,0]=4 393 B9R0.12 C=CC(=O)N(CC)CCO 240690a_100000210973_200121576911 [0,2,0,0,0,0|1,1,0]=4 394 B9R0.12 CCC(=O)N(CC)CCO 240690a_100000210973_100000210414 [0,2,0,0,0,0|1,1,0]=4 395 B9R0.12 CCC(=O)N(CC)CCO 527a_100000210973_100000210414 [0,2,0,0,0,0|1,1,0]=4 396 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,2,0,0,0,0|1,1,0]=4 397 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,2,0,0,0,0|1,1,0]=4 398 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,2,0,0,0,0|1,1,0]=4 399 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,2,0,0,0,0|1,1,0]=4 400 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [0,2,0,0,0,0|0,2,0]=4 401 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [0,2,0,0,0,0|0,2,0]=4 402 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [0,2,0,0,0,0|1,1,0]=4 403 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [0,2,0,0,0,0|1,1,0]=4 404 B9R0.12 CCN(CCO)C(=O)CO 240690a_100000210973_100000210174 [0,2,0,0,0,0|0,2,0]=4 405 B9R0.12 CCN(CCO)C(=O)CO 527a_100000210973_100000210174 [0,2,0,0,0,0|0,2,0]=4 406 B9R0.12 CCN(CCO)C(=O)NC 2708a_100102657272_100000210973 [0,2,0,0,0,0|1,1,0]=4 407 B9R0.12 CCN(CCO)C(=O)NC 273464a_100102657272_100000210973 [0,2,0,0,0,0|1,1,0]=4 408 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,2,0,0,0,0|1,1,0]=4 409 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,2,0,0,0,0|1,1,0]=4 410 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,2,0,0,0,0|1,1,0]=4 411 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,2,0,0,0,0|1,1,0]=4 412 B9R0.13 CCN(CCC#N)C(=O)C 11a_100000226048_100015343762 [0,2,0,0,0,0|1,1,0]=4 413 B9R0.13 CCN(CCC#N)C(=O)C 1626a_100000226048_100015343762 [0,2,0,0,0,0|1,1,0]=4 414 B9R0.13 CCN(CCC#N)C(=O)C 240690a_100000226048_100015343762 [0,2,0,0,0,0|1,1,0]=4 415 B9R0.13 CCN(CCC#N)C(=O)C 527a_100000226048_100103153847 [0,2,0,0,0,0|1,1,0]=4 416 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,2,0,0,0,0|1,1,0]=4 417 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,2,0,0,0,0|1,1,0]=4 418 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,2,0,0,0,0|1,1,0]=4 419 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,2,0,0,0,0|1,1,0]=4 420 B9R0.15 CC(=O)N(CCO)CCO 240690a_100000210587_100015343762 [0,2,0,0,0,0|1,1,0]=4 421 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,2,0,0,0,0|1,1,0]=4 422 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,2,0,0,0,0|1,1,0]=4 423 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,2,0,0,0,0|1,1,0]=4 424 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,2,0,0,0,0|1,1,0]=4 425 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [0,2,0,0,0,0|1,1,0]=4 426 B9R0.29 C=CC(=O)N(CC)C(C)C 1626a_100000223864_100000185746 [0,2,0,0,0,0|1,1,0]=4 427 B9R0.29 C=CC(=O)N(CC)C(C)C 240690a_100000223864_200121576911 [0,2,0,0,0,0|1,1,0]=4 428 B9R0.29 CCC(=O)N(CC)C(C)C 11a_100000223864_100000210414 [0,2,0,0,0,0|1,1,0]=4 429 B9R0.29 CCC(=O)N(CC)C(C)C 1626a_100000223864_100000210414 [0,2,0,0,0,0|1,1,0]=4 430 B9R0.29 CCC(=O)N(CC)C(C)C 240690a_100000223864_100000210414 [0,2,0,0,0,0|1,1,0]=4 431 B9R0.29 CCC(=O)N(CC)C(C)C 527a_100000223864_100000210414 [0,2,0,0,0,0|1,1,0]=4 432 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,2,0,0,0,0|1,1,0]=4 433 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,2,0,0,0,0|1,1,0]=4 434 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,2,0,0,0,0|1,1,0]=4 435 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,2,0,0,0,0|1,1,0]=4 436 B9R0.29 CCN(C(=O)C)C(C)CO 240690a_100000731049_100015343762 [0,2,0,0,0,0|1,1,0]=4 437 B9R0.29 CCN(C(=O)C)C(C)CO 527a_100000731049_100103153847 [0,2,0,0,0,0|1,1,0]=4 438 B9R0.29 CCN(C(=O)CO)C(C)C 240690a_100000223864_100000210174 [0,2,0,0,0,0|0,2,0]=4 439 B9R0.29 CCN(C(=O)CO)C(C)C 527a_100000223864_100000210174 [0,2,0,0,0,0|0,2,0]=4 440 B9R0.29 CCN(C(=O)NC)C(C)C 2708a_100102657272_100000223864 [0,2,0,0,0,0|1,1,0]=4 441 B9R0.29 CCN(C(=O)NC)C(C)C 273464a_100102657272_100000223864 [0,2,0,0,0,0|1,1,0]=4 442 B9R0.33 CC(=O)N(CCO)C(C)C 240690a_100000224655_100015343762 [0,2,0,0,0,0|1,1,0]=4 443 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [0,2,0,0,0,0|1,1,0]=4 444 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [0,2,0,0,0,0|1,1,0]=4 445 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [0,2,0,0,0,0|1,1,0]=4 446 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [0,2,0,0,0,0|1,1,0]=4 447 B9R0.54 CC(=O)N(C(C)C)C(C)C 11a_100000086832_100015343762 [0,2,0,0,0,0|1,1,0]=4 448 B9R0.54 CC(=O)N(C(C)C)C(C)C 1626a_100000086832_100015343762 [0,2,0,0,0,0|1,1,0]=4 449 B9R0.72 CCN(C(=O)C)C(C)(C)C 11a_100011200764_100015343762 [0,2,0,0,0,0|1,1,0]=4 450 B9R0.72 CCN(C(=O)C)C(C)(C)C 1626a_100011200764_100015343762 [0,2,0,0,0,0|1,1,0]=4 451 B9R0.72 CCN(C(=O)C)C(C)(C)C 240690a_100011200764_100015343762 [0,2,0,0,0,0|1,1,0]=4 452 B9R0.37 C#CCC(=O)N(CC)CC 1626a_100000724800_100011220946 [0,2,0,0,0,0|1,1,0]=4 453 B9R0.37 C#CCC(=O)N(CC)CC 527a_100000724800_100011220946 [0,2,0,0,0,0|1,1,0]=4 454 B9R0.37 C=CCC(=O)N(CC)CC 11a_100000724800_100000210193 [0,2,0,0,0,0|1,1,0]=4 455 B9R0.37 C=CCC(=O)N(CC)CC 1626a_100000724800_100000210193 [0,2,0,0,0,0|1,1,0]=4 456 B9R0.37 C=CCC(=O)N(CC)CC 240690a_100000724800_100000210193 [0,2,0,0,0,0|1,1,0]=4 457 B9R0.37 C=CCC(=O)N(CC)CC 527a_100000724800_100000210193 [0,2,0,0,0,0|1,1,0]=4 458 B9R0.37 CC=CC(=O)N(CC)CC 11a_100000724800_100000210699 [0,2,0,0,0,0|1,1,0]=4 459 B9R0.37 CC=CC(=O)N(CC)CC 1626a_100000724800_100000210699 [0,2,0,0,0,0|1,1,0]=4 460 B9R0.37 CC=CC(=O)N(CC)CC 240690a_100000724800_100000210699 [0,2,0,0,0,0|1,1,0]=4 461 B9R0.37 CCC(CC)C(=O)CSC 1458a_100000184570_100000210505 [0,2,0,0,0,0|1,1,0]=4 462 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,2,0,0,0,0|1,1,0]=4 463 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,2,0,0,0,0|1,1,0]=4 464 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,2,0,0,0,0|1,1,0]=4 465 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,2,0,0,0,0|1,1,0]=4 466 B9R0.37 CCN(CC)C(=O)C=CBr 1626a_100000724800_100016273825 [0,2,0,0,0,0|1,1,0]=4 467 B9R0.37 CCN(CC)C(=O)C=CBr 240690a_100000724800_100016273825 [0,2,0,0,0,0|1,1,0]=4 468 B9R0.37 CCN(CC)C(=O)C=CCl 11a_100000724800_200016279998 [0,2,0,0,0,0|1,1,0]=4 469 B9R0.37 CCN(CC)C(=O)C=CCl 1626a_100000724800_200016279998 [0,2,0,0,0,0|1,1,0]=4 470 B9R0.37 CCN(CC)C(=O)C=CCl 240690a_100000724800_200016279998 [0,2,0,0,0,0|1,1,0]=4 471 B9R0.37 CCN(CC)C(=O)C=CI 1626a_100000724800_100016256311 [0,2,0,0,0,0|1,1,0]=4 472 B9R0.37 CCN(CC)C(=O)CC#N 1626a_100000724800_100051588842 [0,2,0,0,0,0|1,1,0]=4 473 B9R0.37 CCN(CC)C(=O)CC#N 240690a_100000724800_100051588842 [0,2,0,0,0,0|1,1,0]=4 474 B9R0.37 CCN(CC)C(=O)CCO 240690a_100000724800_100011216618 [0,2,0,0,0,0|0,2,0]=4 475 B9R0.37 CCN(CC)C(=O)CNC 2230a_100000174916_200000210301 [0,2,0,0,0,0|1,1,0]=4 476 B9R0.37 CCN(CC)C(=O)CNC 2230a_106832991635_100000211521 [0,2,0,0,0,0|1,1,0]=4 477 B9R0.37 CCN(CC)C(=O)CNC 34a_100102657272_100000211521 [0,2,0,0,0,0|1,1,0]=4 478 B9R0.37 CCN(CC)C(=O)CNC 7a_106832991635_100000211521 [0,2,0,0,0,0|1,1,0]=4 479 B9R0.37 CCN(CC)C(=O)CN[13CH3] 2230a_100000174916_200025704644 [0,2,0,0,0,0|1,1,0]=4 480 B9R0.37 CCN(CC)C(=O)COC 11a_100000724800_100000210968 [0,2,0,0,0,0|0,2,0]=4 481 B9R0.37 CCN(CC)C(=O)COC 1626a_100000724800_100000210968 [0,2,0,0,0,0|0,2,0]=4 482 B9R0.37 CCN(CC)C(=O)COC 240690a_100000724800_100000210968 [0,2,0,0,0,0|0,2,0]=4 483 B9R0.37 CCN(CC)C(=O)COC 34a_100138415774_100000211521 [0,2,0,0,0,0|0,2,0]=4 484 B9R0.37 CCN(CC)C(=O)COC 527a_100000724800_100000210968 [0,2,0,0,0,0|0,2,0]=4 485 B9R0.37 CCN(CC)C(=O)COC 7a_200000238847_200000210301 [0,2,0,0,0,0|0,2,0]=4 486 B9R0.37 CCN(CC)C(=O)CO[13CH3] 7a_200000238847_200025704644 [0,2,0,0,0,0|0,2,0]=4 487 B9R0.37 CCN(CC)C(=O)CSC 11a_100000724800_100000184570 [0,2,0,0,0,0|0,1,0]=3 488 B9R0.37 CCN(CC)C(=O)CSC 1626a_100000724800_100000184570 [0,2,0,0,0,0|0,1,0]=3 489 B9R0.37 CCN(CC)C(=O)CSC 240690a_100000724800_100000184570 [0,2,0,0,0,0|0,1,0]=3 490 B9R0.37 CCN(CC)C(=O)CSC 527a_100000724800_100000184570 [0,2,0,0,0,0|0,1,0]=3 491 B9R0.37 CCN(CC)C(=O)CSC 62a_100000211521_200000210301 [0,2,0,0,0,0|0,1,0]=3 492 B9R0.37 CCN(CC)C(=O)CSC 62a_200000210301_100000211521 [0,2,0,0,0,0|0,1,0]=3 493 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_100000211521_200025704644 [0,2,0,0,0,0|0,1,0]=3 494 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_200025704644_100000211521 [0,2,0,0,0,0|0,1,0]=3 495 B9R0.37 CCN(CC)C(C)CSC 270004a_100000724800_100011216314 [0,2,0,0,0,0|1,0,1]=4 496 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [0,2,0,0,0,0|1,1,0]=4 497 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [0,2,0,0,0,0|1,1,0]=4 498 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [1,0,0,1,0,0|1,0,1]=4 499 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [1,0,0,1,0,0|1,0,1]=4 500 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [1,0,0,1,0,0|1,0,1]=4 501 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [1,0,0,1,0,0|1,0,1]=4 502 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [1,0,0,1,0,0|1,0,1]=4 503 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [1,0,0,1,0,0|1,0,1]=4 504 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|1,1,0]=4 505 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|1,1,0]=4 506 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|1,1,0]=4 507 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,1,0,0|1,0,1]=4 508 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,1,0,0|1,0,1]=4 509 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [1,0,0,1,0,0|0,0,1]=3 510 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [1,0,0,1,0,0|0,0,1]=3 511 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [1,0,0,1,0,0|1,0,1]=4 512 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [1,0,0,1,0,0|1,0,1]=4 513 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,0,0,1,0,1|2,0,0]=4 514 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,0,0,1,0,1|2,0,0]=4 515 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,0,0,1,0,1|2,0,0]=4 516 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,0,0,1,0,1|1,1,0]=4 517 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,1|0,2,0]=4 518 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [0,0,0,1,0,1|2,0,0]=4 519 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [0,0,0,1,0,1|2,0,0]=4 520 B9R1.13 C=C(F)CN1CCCC1 2230a_100000188435_100009893438 [0,0,0,1,0,1|2,0,0]=4 521 B9R1.13 C=C(F)CN1CCCC1 269982a_100000188435_100009893438 [0,0,0,1,0,1|2,0,0]=4 522 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,1|1,1,0]=4 523 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,1,0,1|1,1,0]=4 524 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,1,0,1|1,1,0]=4 525 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,1,0,1|0,2,0]=4 526 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,1|1,1,0]=4 527 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [0,0,0,1,0,1|2,0,0]=4 528 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [0,0,0,1,0,1|2,0,0]=4 529 B9R1.67 C=C(F)CN1CCC1C 269982a_100000755817_100009893438 [0,0,0,1,0,1|2,0,0]=4 530 B9R1.67 C=C(F)CN1CCC1C 34a_100000755817_100009893438 [0,0,0,1,0,1|2,0,0]=4 531 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,0,0,1,0,1|1,1,0]=4 532 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,0,0,1,0,1|1,1,0]=4 533 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,0,0,1,0,1|0,2,0]=4 534 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,0,0,1,0,1|0,2,0]=4 535 B9R1.72 CCN(CC)CC1CS1 269956a_100000042499_100000031435 [0,0,0,1,0,1|1,0,1]=4 536 B9R1.72 CCN(CC)CC1CS1 269982a_100000724800_100000031435 [0,0,0,1,0,1|1,0,1]=4 537 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,0,1,0,1|0,2,0]=4 538 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,1,0,1,0,0|1,1,0]=4 539 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,1,0,1,0,0|1,1,0]=4 540 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,1,0,1,0,0|1,1,0]=4 541 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,1,0,1,0,0|1,1,0]=4 542 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,1,0,1,0,0|1,1,0]=4 543 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,1,0,1,0,0|1,1,0]=4 544 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,1,0,1,0,0|1,1,0]=4 545 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,1,0,1,0,0|1,1,0]=4 546 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,1,0,1,0,0|1,1,0]=4 547 B9R1.24 CCN1CCSC1(C)C 2230a_100011217261_100000210202 [0,1,0,1,0,0|1,0,1]=4 548 B9R1.24 CCN1CCSC1(C)C 269982a_100011217261_100000204670 [0,1,0,1,0,0|1,0,1]=4 549 B9R1.24 CCN1CCSC1(C)C 34a_100011217261_100000210202 [0,1,0,1,0,0|1,0,1]=4 550 B9R1.33 CC1SCCN1CCF 2230a_200011216479_100011217306 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.33 CC1SCCN1CCF 269982a_200011216479_100011217306 [0,1,0,1,0,0|1,0,1]=4 552 B9R1.33 CC1SCCN1CCF 34a_200011216479_100011217306 [0,1,0,1,0,0|1,0,1]=4 553 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.33 CCCN1CCSC1C 2230a_200011216479_100000210303 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.33 CCCN1CCSC1C 269982a_200011216479_100000210303 [0,1,0,1,0,0|1,0,1]=4 558 B9R1.33 CCCN1CCSC1C 34a_200011216479_100000210303 [0,1,0,1,0,0|1,0,1]=4 559 B9R1.33 COCN1CCSC1C 2230a_200011216479_100000766300 [0,1,0,1,0,0|1,0,1]=4 560 B9R1.33 COCN1CCSC1C 269982a_200011216479_100000766300 [0,1,0,1,0,0|1,0,1]=4 561 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,1,0,1,0,0|1,1,0]=4 562 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,1,0,1,0,0|1,1,0]=4 563 B9R1.33 CSCN1CCSC1C 2230a_200011216479_100011218213 [0,1,0,1,0,0|1,0,1]=4 564 B9R1.33 CSCN1CCSC1C 269982a_200011216479_100011218213 [0,1,0,1,0,0|1,0,1]=4 565 B9R1.33 CSCN1CCSC1C 34a_200011216479_100011218213 [0,1,0,1,0,0|1,0,1]=4 566 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,1,0,1,0,0|1,1,0]=4 567 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,1,0,1,0,0|1,1,0]=4 568 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,1,0,0|1,1,0]=4 569 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,1,0,0|1,1,0]=4 570 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,1,0,0|1,1,0]=4 571 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,1,0,0|1,1,0]=4 572 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,1,0,0|1,1,0]=4 573 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,1,0,0|1,1,0]=4 574 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,1,0,0|1,1,0]=4 575 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,1,0,0|1,1,0]=4 576 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,1,0,0|1,1,0]=4 577 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,1,0,0|1,1,0]=4 578 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,1,0,0|1,1,0]=4 579 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,1,0,0|1,1,0]=4 580 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,1,0,0|1,1,0]=4 581 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,1,0,0|1,1,0]=4 582 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,1,0,1,0,0|1,1,0]=4 583 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,1,0,1,0,0|1,1,0]=4 584 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,1,0,1,0,0|1,1,0]=4 585 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,1,0,1,0,0|1,1,0]=4 586 B9R1.41 CC(C)N1CCSC1C 2230a_200011216479_100000210206 [0,1,0,1,0,0|1,0,1]=4 587 B9R1.41 CC(C)N1CCSC1C 269982a_200011216479_100000210206 [0,1,0,1,0,0|1,0,1]=4 588 B9R1.41 CC(C)N1CCSC1C 34a_200011216479_100000210206 [0,1,0,1,0,0|1,0,1]=4 589 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100015343762 [0,1,0,1,0,0|1,1,0]=4 590 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100015343762 [0,1,0,1,0,0|1,1,0]=4 591 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100103153847 [0,1,0,1,0,0|1,1,0]=4 592 B9R1.116 CCN(C(=O)C)C1CC1 11a_100000738653_100015343762 [0,1,0,1,0,0|1,1,0]=4 593 B9R1.116 CCN(C(=O)C)C1CC1 1626a_100000738653_100015343762 [0,1,0,1,0,0|1,1,0]=4 594 B9R1.116 CCN(C(=O)C)C1CC1 240690a_100000738653_100015343762 [0,1,0,1,0,0|1,1,0]=4 595 B9R1.116 CCN(C(=O)C)C1CC1 527a_100000738653_100103153847 [0,1,0,1,0,0|1,1,0]=4 596 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,1,0,1,0,0|1,1,0]=4 597 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,1,0,0|1,1,0]=4 598 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,1,0,0|1,1,0]=4 599 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,1,0,0|1,1,0]=4 600 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,1,0,0|1,1,0]=4 601 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|0,2,0]=4 602 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|0,2,0]=4 603 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,1,0,1,0,0|1,1,0]=4 604 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|0,2,0]=4 605 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|0,2,0]=4 606 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,1,0,0|1,1,0]=4 607 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,1,0,0|1,1,0]=4 608 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,1,0,0|1,1,0]=4 609 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [0,1,0,1,0,0|1,1,0]=4 610 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [0,1,0,1,0,0|1,1,0]=4 611 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [1,0,0,0,0,1|2,0,0]=4 612 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [1,0,0,0,0,1|2,0,0]=4 613 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [1,0,0,0,0,1|2,0,0]=4 614 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [1,0,0,0,0,1|2,0,0]=4 615 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [1,0,0,0,0,1|2,0,0]=4 616 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [1,0,0,0,0,1|2,0,0]=4 617 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [1,0,0,0,0,1|2,0,0]=4 618 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [1,0,0,0,0,1|2,0,0]=4 619 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [1,0,0,0,0,1|2,0,0]=4 620 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [1,0,0,0,0,1|2,0,0]=4 621 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,0,0,0,1|1,1,0]=4 622 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,0,0,0,0,1|1,1,0]=4 623 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,0,0,0,0,1|1,1,0]=4 624 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,0,0,0,0,1|1,1,0]=4 625 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,0,0,0,1|0,2,0]=4 626 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,0,0,0,1|0,2,0]=4 627 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,0,0,0,1|1,1,0]=4 628 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,0,0,0,0,1|0,2,0]=4 629 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,0,0,0,1|0,2,0]=4 630 B9R0.43 C=C(C)CCN(CC)CC 2230a_100000724800_100000730704 [0,0,0,0,0,2|2,0,0]=4 631 B9R0.43 C=C(C)CCN(CC)CC 269956a_100000042499_100000730704 [0,0,0,0,0,2|2,0,0]=4 632 B9R0.43 C=C(C)CCN(CC)CC 269982a_100000724800_100000730704 [0,0,0,0,0,2|2,0,0]=4 633 B9R0.43 CCN(CC)CC=C(C)C 2230a_100000724800_100000761012 [0,0,0,0,0,2|2,0,0]=4 634 B9R0.43 CCN(CC)CC=C(C)C 269956a_100000042499_100000761012 [0,0,0,0,0,2|2,0,0]=4 635 B9R0.43 CCN(CC)CC=C(C)C 269982a_100000724800_100000761012 [0,0,0,0,0,2|2,0,0]=4 636 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,0,0,0,0,2|1,1,0]=4 637 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,0,0,0,0,2|1,1,0]=4 638 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,0,0,0,0,2|1,1,0]=4 639 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,0,0,0,0,2|1,1,0]=4 640 B9R0.43 CCN(CC)CCC(=O)N 2230a_100000724800_100000744528 [0,0,0,0,0,2|1,1,0]=4 641 B9R0.43 CCN(CC)CCC(=O)N 2230a_100020645749_100000210202 [0,0,0,0,0,2|1,1,0]=4 642 B9R0.43 CCN(CC)CCC(=O)N 269956a_100000042499_100000744528 [0,0,0,0,0,2|1,1,0]=4 643 B9R0.43 CCN(CC)CCC(=O)N 269982a_100000724800_100000744528 [0,0,0,0,0,2|1,1,0]=4 644 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,0,0,0,0,2|1,1,0]=4 645 B9R0.43 CCN(CC)COC(=O)C 269956a_100000042499_100000076356 [0,0,0,0,0,2|1,1,0]=4 646 B9R0.43 CCN(CC)COC(=O)C 269982a_100000724800_100000076356 [0,0,0,0,0,2|1,1,0]=4