0 B10R0.30 CCCC(C(=O)C)C(=O)OC 1458a_100000070787_200009843822 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.30 CCCC(C(=O)OC)N(C)C 2230a_100102631434_200009843822 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.30 CCCC(C(=O)OC)N(C)C 269982a_100102631434_200009843822 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.30 CCCN(C(=O)C)C(C)CC 11a_200011216551_100015343762 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.30 CCCN(C(=O)C)C(C)CC 1626a_200011216551_100015343762 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.30 CCCN(C(=O)C)C(C)CC 240690a_200011216551_100015343762 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.30 CCCN(C(=O)C)C(C)CC 527a_200011216551_100103153847 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.30 CCCN(C(=O)CC)C(C)C 11a_106256033942_100000210414 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.30 CCCN(C(=O)CC)C(C)C 1626a_106256033942_100000210414 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.30 CCCN(C(=O)CC)C(C)C 240690a_106256033942_100000210414 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.30 CCCN(C(=O)CC)C(C)C 527a_106256033942_100000210414 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.30 CCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210202 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.30 CCN[C@H](C(=O)NC)[C@@H](C)O 2230a_100102634413_100000210202 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.30 CCN[C@H](C(=O)NC)[C@@H](C)O 34a_100102634413_100000210202 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.30 CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.30 CCSC(C(=O)C)C(=O)NC 62a_100000210202_100000210987 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.30 CCSC(C(=O)C)C(=O)NC 62a_100000210987_100000210202 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.30 CCSC(C(=O)C)C(=O)OC 62a_100000210202_100011215331 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.30 CCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210202 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.30 CCSC(C(=O)CC)C(C)C 1458a_100000750736_100000210202 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.30 CNC(=O)C(SCF)C(=O)C 62a_100000210987_100015361967 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.30 CNC(=O)C(SCF)C(=O)C 62a_100015361967_100000210987 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.30 COC(=O)C(SCF)C(=O)C 62a_100011215331_100015361967 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.30 COC(=O)C(SCF)C(=O)C 62a_100015361967_100011215331 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.30 COCC(C(=O)C)C(=O)OC 1458a_100000070787_100000717350 [0,0,0,0,0,0|3,0,0]=3 27 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [1,0,0,0,0,0|1,0,1]=3 28 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [1,0,0,0,0,0|1,0,1]=3 29 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [1,0,0,0,0,0|3,0,0]=4 43 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [1,0,0,0,0,0|3,0,0]=4 45 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [1,0,0,0,0,0|2,0,1]=4 49 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [1,0,0,0,0,0|2,0,1]=4 50 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [1,0,0,0,0,0|2,0,1]=4 51 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [1,0,0,0,0,0|2,0,1]=4 54 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [1,0,0,0,0,0|2,0,1]=4 55 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [1,0,0,0,0,0|2,0,0]=3 56 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [1,0,0,0,0,0|2,0,0]=3 57 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.12 COC(=O)C(C=O)SCF 62a_100000046368_100015361967 [1,0,0,0,0,0|3,0,0]=4 60 B9R0.12 COC(=O)C(C=O)SCF 62a_100015361967_100000046368 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [1,0,0,0,0,0|1,0,1]=3 62 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [1,0,0,0,0,0|1,0,1]=3 63 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [1,0,0,0,0,0|1,0,1]=3 64 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [1,0,0,0,0,0|2,0,0]=3 65 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [1,0,0,0,0,0|2,0,0]=3 66 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [1,0,0,0,0,0|3,0,0]=4 67 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [1,0,0,0,0,0|3,0,0]=4 68 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [1,0,0,0,0,0|2,0,0]=3 73 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [1,0,0,0,0,0|2,0,0]=3 74 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,0,0,0,0,0|1,0,0]=2 75 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [1,0,0,0,0,0|2,0,0]=3 78 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [1,0,0,0,0,0|2,0,0]=3 79 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [1,0,0,0,0,0|2,0,0]=3 80 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.29 C#CC(=O)C(CC)C(=O)N 1458a_100000211873_100000750255 [1,0,0,0,0,0|1,0,2]=4 86 B9R0.29 C=CC(=O)C(CC)C(=O)N 1458a_100000185746_100000750255 [1,0,0,0,0,0|1,0,2]=4 87 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [1,0,0,0,0,0|1,0,0]=2 88 B9R0.29 CCC(=O)C(CC)N(C)C 1458a_100000689100_100000210202 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.29 CCC(C(=O)C)C(=O)OC 1458a_100000070787_100000235869 [1,0,0,0,0,0|2,0,0]=3 90 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [1,0,0,0,0,0|3,0,0]=4 91 B9R0.29 CCC(C(=O)N)C(=O)CO 1458a_100000210174_100000750255 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.29 CCC(C(=O)N)N(C)CC 2230a_100000225621_100000750255 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.29 CCC(C(=O)N)N(C)CC 269982a_100000225621_100000750255 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [1,0,0,0,0,0|3,0,0]=4 96 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 2230a_103436537554_100000210202 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 269982a_103436537554_100000204670 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.29 CNC(=O)C(NC)C(=O)C 7a_106832991635_100000210987 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_100000210987_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_200000210301_100000210987 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_100000210987_200025704644 [1,0,0,0,0,0|3,0,0]=4 104 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210987 [1,0,0,0,0,0|3,0,0]=4 105 B9R0.29 COC(=O)C(CO)C(=O)C 1458a_100000070787_100012276630 [1,0,0,0,0,0|3,0,0]=4 106 B9R0.29 COC(=O)C(SC)C(=O)C 62a_100011215331_200000210301 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.29 COC(=O)C(SC)C(=O)C 62a_200000210301_100011215331 [1,0,0,0,0,0|3,0,0]=4 108 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_100011215331_200025704644 [1,0,0,0,0,0|3,0,0]=4 109 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100011215331 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.33 CC(=O)C(SCF)C(=O)C 62a_100000210371_100015361967 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.33 CC(=O)C(SCF)C(=O)C 62a_100015361967_100000210371 [1,0,0,0,0,0|3,0,0]=4 112 B9R0.33 CCNC(C(=O)N)C(=O)N 2230a_100000025885_100000210202 [1,0,0,0,0,0|3,0,0]=4 113 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [1,0,0,0,0,0|1,0,2]=4 114 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [1,0,0,0,0,0|2,0,0]=3 116 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [1,0,0,0,0,0|2,0,0]=3 117 B11R0.41 C#CC(=O)C(CCC)C(=O)OC 1458a_100000211873_200009843822 [0,1,0,0,0,0|0,0,2]=3 118 B11R0.41 C#CC(=O)C(COC)C(=O)OC 1458a_100000211873_100000717350 [0,1,0,0,0,0|1,0,2]=4 119 B11R0.41 C=CC(=O)C(CCC)C(=O)OC 1458a_100000185746_200009843822 [0,1,0,0,0,0|0,0,2]=3 120 B11R0.41 C=CC(=O)C(COC)C(=O)OC 1458a_100000185746_100000717350 [0,1,0,0,0,0|1,0,2]=4 121 B11R0.41 CCC(=O)C(COC)C(=O)OC 1458a_100000210414_100000717350 [0,1,0,0,0,0|1,0,0]=2 122 B11R0.41 CCC(=O)C(SCF)C(=O)OC 62a_100000056495_100015361967 [0,1,0,0,0,0|2,0,0]=3 123 B11R0.41 CCC(=O)C(SCF)C(=O)OC 62a_100015361967_100000056495 [0,1,0,0,0,0|2,0,0]=3 124 B11R0.41 CCCC(C(=O)CC)C(=O)OC 1458a_100000210414_200009843822 [0,1,0,0,0,0|0,0,0]=1 125 B11R0.41 CCCC(C(=O)CO)C(=O)OC 1458a_100000210174_200009843822 [0,1,0,0,0,0|1,0,0]=2 126 B11R0.41 CCCC(C(=O)OC)N(C)CC 2230a_100000225621_200009843822 [0,1,0,0,0,0|2,0,0]=3 127 B11R0.41 CCCC(C(=O)OC)N(C)CC 269982a_100000225621_200009843822 [0,1,0,0,0,0|2,0,0]=3 128 B11R0.41 CCCN(C(=O)CC)C(C)CO 240690a_100011303929_100000210414 [0,1,0,0,0,0|2,0,1]=4 129 B11R0.41 CCCN(C(=O)CO)C(C)CC 240690a_200011216551_100000210174 [0,1,0,0,0,0|2,0,1]=4 130 B11R0.41 CCCN(C(=O)CO)C(C)CC 527a_200011216551_100000210174 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.41 CCOC(C(=O)OC)C(=O)OC 34a_100121572206_100000037946 [0,1,0,0,0,0|2,0,0]=3 132 B11R0.41 CCSC(C(=O)CC)C(=O)OC 62a_100000056495_100000210202 [0,1,0,0,0,0|1,0,0]=2 133 B11R0.41 CCSC(C(=O)CC)C(=O)OC 62a_100000210202_100000056495 [0,1,0,0,0,0|1,0,0]=2 134 B11R0.41 CCSC(C(=O)OC)C(=O)OC 62a_100000037946_100000210202 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.41 CCSC(C(=O)OC)C(=O)OC 62a_100000210202_100000037946 [0,1,0,0,0,0|2,0,0]=3 136 B11R0.41 COC(=O)C(SCF)C(=O)OC 62a_100000037946_100015361967 [0,1,0,0,0,0|3,0,0]=4 137 B11R0.41 COC(=O)C(SCF)C(=O)OC 62a_100015361967_100000037946 [0,1,0,0,0,0|3,0,0]=4 138 B11R0.41 COCC(C(=O)CO)C(=O)OC 1458a_100000210174_100000717350 [0,1,0,0,0,0|2,0,0]=3 139 B11R0.44 CCSC(C(=O)C)C(=O)N(C)C 62a_100000210202_100000211001 [0,1,0,0,0,0|3,0,0]=4 140 B11R0.44 CCSC(C(=O)C)C(=O)N(C)C 62a_100000211001_100000210202 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [0,1,0,0,0,0|1,0,0]=2 142 B11R0.57 CCCC(C(=O)OCC)N(C)C 2230a_100102631434_100000695697 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.57 CCCC(C(=O)OCC)N(C)C 269982a_100102631434_100000695697 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.57 CCOC(=O)C(OCC)C(=O)C 34a_100121572206_100009831564 [0,1,0,0,0,0|2,0,0]=3 145 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000210202_100000211040 [0,1,0,0,0,0|2,0,0]=3 146 B11R0.57 CCOC(=O)C(SCC)C(=O)C 62a_100000211040_100000210202 [0,1,0,0,0,0|2,0,0]=3 147 B11R0.57 CCOC(=O)C(SCF)C(=O)C 62a_100000211040_100015361967 [0,1,0,0,0,0|3,0,0]=4 148 B11R0.57 CCOC(=O)C(SCF)C(=O)C 62a_100015361967_100000211040 [0,1,0,0,0,0|3,0,0]=4 149 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 269956a_100009815163_100000210206 [0,1,0,0,0,0|2,0,1]=4 150 B11R0.115 CNC(=O)C(SC(C)C)C(=O)C 62a_100000210206_100000210987 [0,1,0,0,0,0|3,0,0]=4 151 B11R0.115 CNC(=O)C(SC(C)C)C(=O)C 62a_100000210987_100000210206 [0,1,0,0,0,0|3,0,0]=4 152 B11R0.115 COC(=O)C(SC(C)C)C(=O)C 62a_100000210206_100011215331 [0,1,0,0,0,0|3,0,0]=4 153 B11R0.115 COC(=O)C(SC(C)C)C(=O)C 62a_100011215331_100000210206 [0,1,0,0,0,0|3,0,0]=4 154 B11R0.121 CCC(C)C(C(=O)O)N(C)CC 269956a_100000694001_100000210202 [0,1,0,0,0,0|2,0,0]=3 155 B11R0.121 CCC(C)C(C(=O)O)N(C)CF 269956a_100000694001_100015361967 [0,1,0,0,0,0|3,0,0]=4 156 B11R0.121 CCN(C)C(C(=O)C)C(=O)NC 269982a_100000225621_100000210987 [0,1,0,0,0,0|3,0,0]=4 157 B11R0.167 C#CC(=O)C(CCCC)C(=O)N 1458a_100000211873_100000748834 [0,1,0,0,0,0|1,0,2]=4 158 B11R0.167 C=CC(=O)C(CCCC)C(=O)N 1458a_100000185746_100000748834 [0,1,0,0,0,0|1,0,2]=4 159 B11R0.167 CCCCC(C(=O)C)C(=O)OC 1458a_100000070787_100000750740 [0,1,0,0,0,0|2,0,0]=3 160 B11R0.167 CCCCC(C(=O)N)C(=O)CC 1458a_100000210414_100000748834 [0,1,0,0,0,0|1,0,0]=2 161 B11R0.167 CCCCC(C(=O)N)C(=O)CO 1458a_100000210174_100000748834 [0,1,0,0,0,0|2,0,0]=3 162 B11R0.167 CCCCC(C(=O)N)N(C)CC 2230a_100000225621_100000748834 [0,1,0,0,0,0|3,0,0]=4 163 B11R0.167 CCCCC(C(=O)N)N(C)CC 269982a_100000225621_100000748834 [0,1,0,0,0,0|3,0,0]=4 164 B11R0.167 CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210207 [0,1,0,0,0,0|1,0,1]=3 165 B11R0.167 CCCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210303 [0,1,0,0,0,0|2,0,1]=4 166 B11R0.167 CCCN[C@H](C(=O)NC)[C@@H](C)O 2230a_100102634413_100000210303 [0,1,0,0,0,0|2,0,1]=4 167 B11R0.167 CCCN[C@H](C(=O)NC)[C@@H](C)O 34a_100102634413_100000210303 [0,1,0,0,0,0|2,0,1]=4 168 B11R0.167 CCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210207 [0,1,0,0,0,0|2,0,1]=4 169 B11R0.167 CCCSC(C(=O)C)C(=O)NC 62a_100000210303_100000210987 [0,1,0,0,0,0|2,0,0]=3 170 B11R0.167 CCCSC(C(=O)C)C(=O)NC 62a_100000210987_100000210303 [0,1,0,0,0,0|2,0,0]=3 171 B11R0.167 CCCSC(C(=O)C)C(=O)OC 62a_100000210303_100011215331 [0,1,0,0,0,0|2,0,0]=3 172 B11R0.167 CCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210303 [0,1,0,0,0,0|2,0,0]=3 173 B11R0.167 CC[C@H](C)[C@@H](NCCF)C(=O)O 269956a_100009815163_100011217306 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.167 CC[C@H](C)[C@@H](NCCO)C(=O)O 269956a_100009815163_100000211926 [0,1,0,0,0,0|2,0,1]=4 175 B11R0.167 CC[C@H](C)[C@@H](NCOC)C(=O)O 269956a_100009815163_100000766300 [0,1,0,0,0,0|2,0,1]=4 176 B11R0.167 CC[C@H](C)[C@@H](NCSC)C(=O)O 269956a_100009815163_100011218213 [0,1,0,0,0,0|2,0,1]=4 177 B11R0.167 CNC(=O)C(SCCF)C(=O)C 62a_100000210987_100011217306 [0,1,0,0,0,0|3,0,0]=4 178 B11R0.167 CNC(=O)C(SCCF)C(=O)C 62a_100011217306_100000210987 [0,1,0,0,0,0|3,0,0]=4 179 B11R0.167 CNC(=O)C(SCCO)C(=O)C 62a_100000210987_100000211926 [0,1,0,0,0,0|3,0,0]=4 180 B11R0.167 CNC(=O)C(SCCO)C(=O)C 62a_100000211926_100000210987 [0,1,0,0,0,0|3,0,0]=4 181 B11R0.167 CNC(=O)C(SCOC)C(=O)C 62a_100000210987_100000766300 [0,1,0,0,0,0|3,0,0]=4 182 B11R0.167 CNC(=O)C(SCOC)C(=O)C 62a_100000766300_100000210987 [0,1,0,0,0,0|3,0,0]=4 183 B11R0.167 CNC(=O)C(SCSC)C(=O)C 62a_100000210987_100011218213 [0,1,0,0,0,0|3,0,0]=4 184 B11R0.167 CNC(=O)C(SCSC)C(=O)C 62a_100011218213_100000210987 [0,1,0,0,0,0|3,0,0]=4 185 B11R0.167 COC(=O)C(SCCF)C(=O)C 62a_100011215331_100011217306 [0,1,0,0,0,0|3,0,0]=4 186 B11R0.167 COC(=O)C(SCCF)C(=O)C 62a_100011217306_100011215331 [0,1,0,0,0,0|3,0,0]=4 187 B11R0.167 COC(=O)C(SCCO)C(=O)C 62a_100000211926_100011215331 [0,1,0,0,0,0|3,0,0]=4 188 B11R0.167 COC(=O)C(SCCO)C(=O)C 62a_100011215331_100000211926 [0,1,0,0,0,0|3,0,0]=4 189 B11R0.167 COC(=O)C(SCSC)C(=O)C 62a_100011215331_100011218213 [0,1,0,0,0,0|3,0,0]=4 190 B11R0.167 COC(=O)C(SCSC)C(=O)C 62a_100011218213_100011215331 [0,1,0,0,0,0|3,0,0]=4 191 B11R0.167 COCSC(C(=O)C)C(=O)OC 62a_100000766300_100011215331 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.167 COCSC(C(=O)C)C(=O)OC 62a_100011215331_100000766300 [0,1,0,0,0,0|3,0,0]=4 193 B11R0.189 CCOC(C)(C(=O)C)C(=O)OC 34a_100000042598_100000210202 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [0,0,0,1,0,0|3,0,0]=4 195 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [0,0,0,1,0,0|3,0,0]=4 196 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,0,1,0,0|3,0,0]=4 197 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,0,0,1,0,0|3,0,0]=4 198 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,0,0,1,0,0|3,0,0]=4 199 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,0,0,1,0,0|3,0,0]=4 200 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,0,1,0,0|3,0,0]=4 201 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,0,0,1,0,0|2,0,0]=3 202 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,0,0,1,0,0|3,0,0]=4 203 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,0,0,1,0,0|3,0,0]=4 204 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,0,0,1,0,0|3,0,0]=4 205 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,0,0,1,0,0|2,0,1]=4 206 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,0,0,1,0,0|3,0,0]=4 207 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,0,0,1,0,0|2,0,1]=4 208 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,0,0,1,0,0|1,0,0]=2 209 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,0,0,1,0,0|3,0,0]=4 210 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,0,0,1,0,0|2,0,0]=3 211 B11R1.143 CN(C)C1CCCCCC1=O 269982a_100102631434_100000243696 [0,0,0,1,0,0|3,0,0]=4 212 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,0,0,1,0,0|2,0,0]=3 213 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,0,0,1,0,0|3,0,0]=4 214 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,0,0,1,0,0|2,0,0]=3 215 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,0,0,1,0,0|2,0,0]=3 216 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,0,0,1,0,0|2,0,0]=3 217 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,0,0,1,0,0|2,0,0]=3 220 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,0,0,1,0,0|2,0,0]=3 221 B11R1.222 C#CC(=O)C1CCCCC1=O 1458a_100000211873_100000204591 [0,0,0,1,0,0|1,0,2]=4 222 B11R1.222 C#CC(=O)C1CCCNC1=O 1458a_100000211873_100000687798 [0,0,0,1,0,0|1,0,2]=4 223 B11R1.222 C=CC(=O)C1CCCCC1=O 1458a_100000185746_100000204591 [0,0,0,1,0,0|1,0,2]=4 224 B11R1.222 C=CC(=O)C1CCCNC1=O 1458a_100000185746_100000687798 [0,0,0,1,0,0|1,0,2]=4 225 B11R1.222 CCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210202 [0,0,0,1,0,0|2,0,1]=4 226 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,0,0,1,0,0|1,0,0]=2 227 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,0,0,1,0,0|2,0,1]=4 228 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,0,0,1,0,0|1,0,1]=3 229 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,0,0,1,0,0|1,0,0]=2 230 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,0,0,1,0,0|1,0,0]=2 231 B11R1.222 CCC(=O)C1COCCC1=O 1458a_100000210414_100012180262 [0,0,0,1,0,0|2,0,0]=3 232 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,0,0,1,0,0|3,0,0]=4 233 B11R1.222 CCN(C)C1CCCCC1=O 269982a_100000225621_100000204591 [0,0,0,1,0,0|3,0,0]=4 234 B11R1.222 CCN(C)C1CCCNC1=O 2230a_100000225621_100000687798 [0,0,0,1,0,0|3,0,0]=4 235 B11R1.222 CCN(C)C1CCCNC1=O 269982a_100000225621_100000687798 [0,0,0,1,0,0|3,0,0]=4 236 B11R1.222 CNC(=O)C1CCCNC1=O 11a_106832991635_100000087122 [0,0,0,1,0,0|2,0,0]=3 237 B11R1.222 CNC(=O)C1CCCNC1=O 240690a_100102657272_100000087122 [0,0,0,1,0,0|2,0,0]=3 238 B11R1.222 CNC(=O)C1CCCNC1=O 527a_100102657272_100000087122 [0,0,0,1,0,0|2,0,0]=3 239 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,0,0,1,0,0|2,0,1]=4 240 B11R1.222 O=C(CF)C1CCCNC1=O 1458a_100000087122_100015361967 [0,0,0,1,0,0|2,0,0]=3 241 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,0,0,1,0,0|2,0,0]=3 242 B11R1.222 O=C(CO)C1CCCNC1=O 1458a_100000210174_100000687798 [0,0,0,1,0,0|2,0,0]=3 243 B11R1.222 O=C(CO)C1COCCC1=O 1458a_100000210174_100012180262 [0,0,0,1,0,0|3,0,0]=4 244 B11R1.225 C#CC(=O)C1CC(OC1=O)C 1458a_100000211873_200000216747 [0,0,0,1,0,0|0,0,2]=3 245 B11R1.225 C=CC(=O)C1CC(OC1=O)C 1458a_100000185746_200000216747 [0,0,0,1,0,0|0,0,2]=3 246 B11R1.225 CC1CC(C(=O)O1)C(=O)CO 1458a_100000210174_200000216747 [0,0,0,1,0,0|1,0,0]=2 247 B11R1.225 CCC(=O)C1CC(OC1=O)C 1458a_100000210414_200000216747 [0,0,0,1,0,0|0,0,0]=1 248 B11R1.225 CCN(C)C1CC(OC1=O)C 2230a_100000225621_200000216747 [0,0,0,1,0,0|2,0,0]=3 249 B11R1.225 CCN(C)C1CC(OC1=O)C 269982a_100000225621_200000216747 [0,0,0,1,0,0|2,0,0]=3 250 B11R1.227 CCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210202 [0,0,0,1,0,0|3,0,0]=4 251 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [0,0,0,1,0,0|3,0,0]=4 252 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [0,0,0,1,0,0|3,0,0]=4 253 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [0,0,0,1,0,0|3,0,0]=4 254 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [0,0,0,1,0,0|3,0,0]=4 255 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [0,0,0,1,0,0|3,0,0]=4 256 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [0,0,0,1,0,0|3,0,0]=4 257 B11R1.605 CCNC1C(=O)CCCC1=O 2230a_100015525214_100009814513 [0,0,0,1,0,0|2,0,0]=3 258 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100000210202_100009814513 [0,0,0,1,0,0|2,0,0]=3 259 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100009814513_100000210202 [0,0,0,1,0,0|2,0,0]=3 260 B11R1.605 O=C1CCCC(=O)C1SCF 62a_100009814513_100015361967 [0,0,0,1,0,0|3,0,0]=4 261 B11R1.605 O=C1CCCC(=O)C1SCF 62a_100015361967_100009814513 [0,0,0,1,0,0|3,0,0]=4 262 B11R1.760 CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210202 [0,0,0,1,0,0|2,0,1]=4 263 B11R1.863 COC(=O)C(C(=O)C)C1CC1 1458a_100000070787_100016157471 [0,0,0,1,0,0|2,0,0]=3 264 B11R1.879 CCC(=O)C1(CCC1)C(=O)N 1458a_100000751621_100000210202 [0,0,0,1,0,0|1,0,0]=2 265 B11R1.879 CNC(=O)C1(CCC1)C(=O)C 1458a_200000752345_200000210301 [0,0,0,1,0,0|2,0,0]=3 266 B11R1.879 CNC(=O)C1(CCC1)C(=O)N 11a_106832991635_100000751621 [0,0,0,1,0,0|2,0,0]=3 267 B11R1.879 CNC(=O)C1(CCC1)C(=O)N 1626a_100102657272_100000751621 [0,0,0,1,0,0|2,0,0]=3 268 B11R1.879 CNC(=O)C1(CCC1)C(=O)N 240690a_100102657272_100000751621 [0,0,0,1,0,0|2,0,0]=3 269 B11R1.879 CNC(=O)C1(CCC1)C(=O)N 527a_100102657272_100000751621 [0,0,0,1,0,0|2,0,0]=3 270 B11R1.879 CNC(=O)C1(CCC1)C(=O)[13CH3] 1458a_200000752345_200025704644 [0,0,0,1,0,0|2,0,0]=3 271 B11R1.879 COC(=O)C1(CCC1)C(=O)C 1458a_100000070787_100000694912 [0,0,0,1,0,0|2,0,0]=3 272 B11R1.879 NC(=O)C1(CCC1)C(=O)CF 1458a_100000751621_100015361967 [0,0,0,1,0,0|2,0,0]=3 273 B11R0.39 C=CCC(NC(=O)C)C(=O)CC 1458a_100000741017_100000210202 [0,0,0,0,0,1|1,0,2]=4 274 B11R0.39 CCC(=O)C(COC)NC(=O)C 1458a_200012277492_100000210202 [0,0,0,0,0,1|2,0,0]=3 275 B11R0.39 CCCC(NC(=O)C)C(=O)NC 11a_106256046333_100015343762 [0,0,0,0,0,1|2,0,0]=3 276 B11R0.39 CCCC(NC(=O)C)C(=O)NC 1626a_106256046333_100015343762 [0,0,0,0,0,1|2,0,0]=3 277 B11R0.39 CCCC(NC(=O)C)C(=O)NC 240690a_106256046333_100015343762 [0,0,0,0,0,1|2,0,0]=3 278 B11R0.39 CCCC(NC(=O)C)C(=O)NC 527a_106256046333_100103153847 [0,0,0,0,0,1|2,0,0]=3 279 B11R0.39 CCCC(NC(=O)C)C(=O)OC 188690a_100000696665_100015343762 [0,0,0,0,0,1|2,0,0]=3 280 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CC 1458a_100011995990_100000210202 [0,0,0,0,0,1|1,0,0]=2 281 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CF 1458a_100011995990_100015361967 [0,0,0,0,0,1|2,0,0]=3 282 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 11a_106832991635_100011995990 [0,0,0,0,0,1|2,0,0]=3 283 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 1626a_100102657272_100011995990 [0,0,0,0,0,1|2,0,0]=3 284 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 240690a_100102657272_100011995990 [0,0,0,0,0,1|2,0,0]=3 285 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 527a_100102657272_100011995990 [0,0,0,0,0,1|2,0,0]=3 286 B11R0.39 CCN[C@H](CC(=O)O)[C@@H](C)CC 269956a_100020625877_100000210202 [0,0,0,0,0,1|2,0,1]=4 287 B11R0.39 CNC(=O)C(COC)NC(=O)C 11a_106832991635_200012277492 [0,0,0,0,0,1|3,0,0]=4 288 B11R0.39 CNC(=O)C(COC)NC(=O)C 1626a_100102657272_200012277492 [0,0,0,0,0,1|3,0,0]=4 289 B11R0.39 CNC(=O)C(COC)NC(=O)C 240690a_100102657272_200012277492 [0,0,0,0,0,1|3,0,0]=4 290 B11R0.39 CNC(=O)C(COC)NC(=O)C 527a_100102657272_200012277492 [0,0,0,0,0,1|3,0,0]=4 291 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_100000763271_200000210301 [0,0,0,0,0,1|3,0,0]=4 292 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_200000210301_100000763271 [0,0,0,0,0,1|3,0,0]=4 293 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_100000763271_200025704644 [0,0,0,0,0,1|3,0,0]=4 294 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_200025704644_100000763271 [0,0,0,0,0,1|3,0,0]=4 295 B11R0.39 COC(=O)[C@H](CSC)NC(=O)C 188690a_100015184942_100015343762 [0,0,0,0,0,1|3,0,0]=4 296 B11R0.39 COCC(NC(=O)C)C(=O)CF 1458a_200012277492_100015361967 [0,0,0,0,0,1|3,0,0]=4 297 B11R0.39 COC[C@@H](NC(=O)C)C(=O)OC 188690a_100025726687_100015343762 [0,0,0,0,0,1|3,0,0]=4 298 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000185746 [0,0,0,0,0,1|1,0,2]=4 299 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_200121576911 [0,0,0,0,0,1|1,0,2]=4 300 B11R0.236 CCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000758301 [0,0,0,0,0,1|2,0,1]=4 301 B11R0.236 CCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000758301 [0,0,0,0,0,1|2,0,1]=4 302 B11R0.236 CCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000758301 [0,0,0,0,0,1|2,0,1]=4 303 B11R0.236 CCCC(OC(C)CC)C(=O)N 34a_100011626294_100011215416 [0,0,0,0,0,1|2,0,1]=4 304 B11R0.236 CCCC(OC(C)CC)C(=O)N 7a_100011626294_100000758301 [0,0,0,0,0,1|2,0,1]=4 305 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 11a_100000729256_100000210414 [0,0,0,0,0,1|1,0,0]=2 306 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 1626a_100000729256_100000210414 [0,0,0,0,0,1|1,0,0]=2 307 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 240690a_100000729256_100000210414 [0,0,0,0,0,1|1,0,0]=2 308 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 527a_100000729256_100000210414 [0,0,0,0,0,1|1,0,0]=2 309 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 240690a_100000729256_100000210174 [0,0,0,0,0,1|2,0,0]=3 310 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 527a_100000729256_100000210174 [0,0,0,0,0,1|2,0,0]=3 311 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 2708a_100102657272_100000729256 [0,0,0,0,0,1|2,0,0]=3 312 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100000729256_100102657272 [0,0,0,0,0,1|2,0,0]=3 313 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100102657272_100000729256 [0,0,0,0,0,1|2,0,0]=3 314 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_100000729256_100102657272 [0,0,0,0,0,1|2,0,0]=3 315 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_106832991638_100000729256 [0,0,0,0,0,1|2,0,0]=3 316 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 2230a_100000729256_100000758301 [0,0,0,0,0,1|2,0,1]=4 317 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 34a_100000729256_100011215416 [0,0,0,0,0,1|2,0,1]=4 318 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [0,0,0,0,0,1|1,0,1]=3 319 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [0,0,0,0,0,1|2,0,1]=4 320 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [0,0,0,0,0,1|2,0,1]=4 321 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [2,0,0,0,0,0|1,0,1]=4 322 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [2,0,0,0,0,0|1,0,1]=4 323 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [2,0,0,0,0,0|1,0,1]=4 324 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [2,0,0,0,0,0|1,0,1]=4 325 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [2,0,0,0,0,0|1,0,1]=4 326 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [2,0,0,0,0,0|0,0,1]=3 327 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [2,0,0,0,0,0|0,0,1]=3 328 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [2,0,0,0,0,0|1,0,1]=4 329 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [2,0,0,0,0,0|1,0,1]=4 330 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [2,0,0,0,0,0|1,0,1]=4 331 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [2,0,0,0,0,0|1,0,1]=4 332 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [2,0,0,0,0,0|1,0,1]=4 333 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [2,0,0,0,0,0|1,0,1]=4 334 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [2,0,0,0,0,0|1,0,1]=4 335 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [2,0,0,0,0,0|1,0,1]=4 336 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [2,0,0,0,0,0|1,0,1]=4 337 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [2,0,0,0,0,0|1,0,1]=4 338 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [2,0,0,0,0,0|0,0,0]=2 339 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [2,0,0,0,0,0|1,0,0]=3 340 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [2,0,0,0,0,0|1,0,0]=3 341 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [2,0,0,0,0,0|1,0,1]=4 342 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [2,0,0,0,0,0|1,0,1]=4 343 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [2,0,0,0,0,0|1,0,1]=4 344 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [2,0,0,0,0,0|1,0,1]=4 345 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [2,0,0,0,0,0|1,0,1]=4 346 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [2,0,0,0,0,0|1,0,1]=4 347 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [2,0,0,0,0,0|1,0,1]=4 348 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [2,0,0,0,0,0|1,0,0]=3 349 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [2,0,0,0,0,0|1,0,0]=3 350 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [2,0,0,0,0,0|1,0,0]=3 351 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [2,0,0,0,0,0|2,0,0]=4 352 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [2,0,0,0,0,0|2,0,0]=4 353 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [2,0,0,0,0,0|2,0,0]=4 354 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [2,0,0,0,0,0|2,0,0]=4 355 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 356 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 357 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 358 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [2,0,0,0,0,0|2,0,0]=4 359 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [2,0,0,0,0,0|2,0,0]=4 360 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [2,0,0,0,0,0|2,0,0]=4 361 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [2,0,0,0,0,0|1,0,0]=3 362 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [2,0,0,0,0,0|2,0,0]=4 363 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [2,0,0,0,0,0|2,0,0]=4 364 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [2,0,0,0,0,0|1,0,0]=3 365 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [2,0,0,0,0,0|2,0,0]=4 366 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [2,0,0,0,0,0|2,0,0]=4 367 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [2,0,0,0,0,0|2,0,0]=4 369 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [2,0,0,0,0,0|1,0,0]=3 370 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [2,0,0,0,0,0|2,0,0]=4 371 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [2,0,0,0,0,0|2,0,0]=4 372 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [2,0,0,0,0,0|2,0,0]=4 373 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [2,0,0,0,0,0|2,0,0]=4 374 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [2,0,0,0,0,0|2,0,0]=4 375 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [2,0,0,0,0,0|2,0,0]=4 376 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [2,0,0,0,0,0|2,0,0]=4 377 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [2,0,0,0,0,0|2,0,0]=4 378 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [2,0,0,0,0,0|2,0,0]=4 379 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [2,0,0,0,0,0|2,0,0]=4 380 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [2,0,0,0,0,0|1,0,1]=4 381 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [2,0,0,0,0,0|1,0,1]=4 382 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [2,0,0,0,0,0|2,0,0]=4 383 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [2,0,0,0,0,0|2,0,0]=4 384 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [2,0,0,0,0,0|2,0,0]=4 385 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [2,0,0,0,0,0|2,0,0]=4 386 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [2,0,0,0,0,0|2,0,0]=4 387 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [2,0,0,0,0,0|2,0,0]=4 388 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [2,0,0,0,0,0|2,0,0]=4 389 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [2,0,0,0,0,0|2,0,0]=4 390 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [2,0,0,0,0,0|2,0,0]=4 391 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [2,0,0,0,0,0|2,0,0]=4 392 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [2,0,0,0,0,0|2,0,0]=4 393 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [2,0,0,0,0,0|2,0,0]=4 394 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [2,0,0,0,0,0|2,0,0]=4 395 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 396 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 397 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [2,0,0,0,0,0|2,0,0]=4 398 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [2,0,0,0,0,0|2,0,0]=4 399 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [2,0,0,0,0,0|1,0,0]=3 400 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [2,0,0,0,0,0|1,0,0]=3 401 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [2,0,0,0,0,0|1,0,0]=3 402 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [2,0,0,0,0,0|2,0,0]=4 403 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [2,0,0,0,0,0|1,0,1]=4 404 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [2,0,0,0,0,0|2,0,0]=4 405 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [2,0,0,0,0,0|2,0,0]=4 406 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [2,0,0,0,0,0|2,0,0]=4 407 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [2,0,0,0,0,0|2,0,0]=4 408 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [2,0,0,0,0,0|2,0,0]=4 409 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [2,0,0,0,0,0|2,0,0]=4 410 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [2,0,0,0,0,0|2,0,0]=4 411 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [2,0,0,0,0,0|1,0,0]=3 412 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [2,0,0,0,0,0|2,0,0]=4 413 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [2,0,0,0,0,0|2,0,0]=4 414 B10R0.25 CCCC(CC)C(=O)C(C)C 1458a_100000210198_100011219200 [1,1,0,0,0,0|1,0,1]=4 415 B10R0.25 CCCC(CC)C(=O)C(C)C 1458a_100011416436_100000210206 [1,1,0,0,0,0|1,0,1]=4 416 B10R0.25 CCCC(CC)C(=O)C(C)F 1458a_100000062450_100011219200 [1,1,0,0,0,0|1,0,1]=4 417 B10R0.25 CCCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100011219200 [1,1,0,0,0,0|1,0,1]=4 418 B10R0.25 CCCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100011219200 [1,1,0,0,0,0|1,0,1]=4 419 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [1,1,0,0,0,0|1,0,1]=4 420 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [1,1,0,0,0,0|1,0,1]=4 421 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [1,1,0,0,0,0|2,0,0]=4 422 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [1,1,0,0,0,0|2,0,0]=4 423 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [1,1,0,0,0,0|2,0,0]=4 424 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [1,1,0,0,0,0|2,0,0]=4 425 B10R0.33 CCCC(CC)C(=O)CCF 1458a_100011416436_100011217306 [1,1,0,0,0,0|1,0,1]=4 426 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011216618_100011219200 [1,1,0,0,0,0|1,0,1]=4 427 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011416436_100000211926 [1,1,0,0,0,0|1,0,1]=4 428 B10R0.33 CCCC(CC)C(=O)COC 1458a_100000210968_100011219200 [1,1,0,0,0,0|1,0,1]=4 429 B10R0.33 CCCC(CC)C(=O)CSC 1458a_100000184570_100011219200 [1,1,0,0,0,0|1,0,1]=4 430 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [1,1,0,0,0,0|1,0,1]=4 431 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [1,1,0,0,0,0|1,0,1]=4 432 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [1,1,0,0,0,0|1,0,1]=4 433 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [1,1,0,0,0,0|2,0,0]=4 434 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [1,1,0,0,0,0|2,0,0]=4 435 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [1,1,0,0,0,0|2,0,0]=4 436 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [1,1,0,0,0,0|2,0,0]=4 437 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [1,1,0,0,0,0|2,0,0]=4 438 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [1,1,0,0,0,0|2,0,0]=4 439 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [1,1,0,0,0,0|2,0,0]=4 440 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [1,1,0,0,0,0|2,0,0]=4 441 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [1,1,0,0,0,0|2,0,0]=4 442 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [1,1,0,0,0,0|2,0,0]=4 443 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [1,1,0,0,0,0|2,0,0]=4 444 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [1,1,0,0,0,0|2,0,0]=4 445 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [1,1,0,0,0,0|1,0,0]=3 446 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [1,1,0,0,0,0|1,0,0]=3 447 B10R0.33 CCOC(=O)C(C=O)SCF 62a_100000053139_100015361967 [1,1,0,0,0,0|2,0,0]=4 448 B10R0.33 CCOC(=O)C(C=O)SCF 62a_100015361967_100000053139 [1,1,0,0,0,0|2,0,0]=4 449 B10R0.54 COC(=O)C(C=O)NC(C)C 34a_100138425928_100000046368 [1,1,0,0,0,0|2,0,0]=4 450 B10R0.54 COC(=O)C(C=O)OC(C)C 34a_100000212225_100000046368 [1,1,0,0,0,0|2,0,0]=4 451 B10R0.54 COC(=O)C(C=O)SC(C)C 62a_100000046368_100000210206 [1,1,0,0,0,0|2,0,0]=4 452 B10R0.54 COC(=O)C(C=O)SC(C)C 62a_100000210206_100000046368 [1,1,0,0,0,0|2,0,0]=4 453 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100000210414_200011218217 [1,1,0,0,0,0|1,0,1]=4 454 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100011215354_100000210202 [1,1,0,0,0,0|1,0,1]=4 455 B10R0.73 CCCN(CCO)C(=O)CC 240690a_100000211420_100000210414 [1,1,0,0,0,0|1,0,1]=4 456 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [1,1,0,0,0,0|1,0,1]=4 457 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [1,1,0,0,0,0|1,0,1]=4 458 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [1,1,0,0,0,0|1,0,0]=3 459 B10R0.85 CCCOC(CC)C(=O)CC 34a_200011218131_100000210303 [1,1,0,0,0,0|1,0,1]=4 460 B10R0.85 CCCOC(CC)C(=O)CC 7a_200011218131_100000210303 [1,1,0,0,0,0|1,0,1]=4 461 B10R0.85 CCCOC(CO)C(=O)OC 34a_100000210258_100012276630 [1,1,0,0,0,0|1,0,1]=4 462 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [1,1,0,0,0,0|1,0,0]=3 463 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [1,1,0,0,0,0|1,0,0]=3 464 B10R0.85 CCCSC(CO)C(=O)OC 62a_100000210303_100012276630 [1,1,0,0,0,0|1,0,1]=4 465 B10R0.85 CCCSC(CO)C(=O)OC 62a_100012276630_100000210303 [1,1,0,0,0,0|1,0,1]=4 466 B10R0.85 COC(=O)C(C=O)NCCF 34a_100000724931_100000046368 [1,1,0,0,0,0|2,0,0]=4 467 B10R0.85 COC(=O)C(C=O)NCCO 34a_100016990907_100000046368 [1,1,0,0,0,0|2,0,0]=4 468 B10R0.85 COC(=O)C(C=O)OCCBr 34a_100000211926_100000046368 [1,1,0,0,0,0|2,0,0]=4 469 B10R0.85 COC(=O)C(C=O)OCCN 34a_100000210304_100000046368 [1,1,0,0,0,0|2,0,0]=4 470 B10R0.85 COC(=O)C(C=O)SCCF 62a_100000046368_100011217306 [1,1,0,0,0,0|2,0,0]=4 471 B10R0.85 COC(=O)C(C=O)SCCF 62a_100011217306_100000046368 [1,1,0,0,0,0|2,0,0]=4 472 B10R0.85 COC(=O)C(C=O)SCCO 62a_100000046368_100000211926 [1,1,0,0,0,0|2,0,0]=4 473 B10R0.85 COC(=O)C(C=O)SCCO 62a_100000211926_100000046368 [1,1,0,0,0,0|2,0,0]=4 474 B10R0.85 COC(=O)C(C=O)SCSC 62a_100000046368_100011218213 [1,1,0,0,0,0|2,0,0]=4 475 B10R0.85 COC(=O)C(C=O)SCSC 62a_100011218213_100000046368 [1,1,0,0,0,0|2,0,0]=4 476 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000046368_100000766300 [1,1,0,0,0,0|2,0,0]=4 477 B10R0.85 COCSC(C=O)C(=O)OC 62a_100000766300_100000046368 [1,1,0,0,0,0|2,0,0]=4 478 B10R0.99 CCCC(C)(CC)C(=O)CC 1458a_100000210414_200000040151 [1,1,0,0,0,0|1,0,1]=4 479 B10R0.99 CCCC(C)(CC)C(=O)CC 1458a_200000724995_100000210202 [1,1,0,0,0,0|1,0,1]=4 480 B10R0.23 CCCC(OC(C)C)C(=O)N 34a_100011626294_100000210206 [1,1,0,0,0,0|2,0,0]=4 481 B10R0.23 CCCC(OC(C)C)C(=O)N 7a_100011626294_100000210206 [1,1,0,0,0,0|2,0,0]=4 482 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [1,1,0,0,0,0|2,0,0]=4 483 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [1,1,0,0,0,0|2,0,0]=4 484 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [1,1,0,0,0,0|1,0,0]=3 485 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [1,1,0,0,0,0|2,0,0]=4 486 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [1,1,0,0,0,0|2,0,0]=4 487 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [1,1,0,0,0,0|2,0,0]=4 488 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [1,1,0,0,0,0|2,0,0]=4 489 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [1,1,0,0,0,0|2,0,0]=4 490 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [1,1,0,0,0,0|2,0,0]=4 491 B10R0.88 C#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000184674 [1,1,0,0,0,0|1,0,1]=4 492 B10R0.88 C=CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210623 [1,1,0,0,0,0|1,0,1]=4 493 B10R0.88 CCCC(OCCF)C(=O)N 34a_100011626294_100011217306 [1,1,0,0,0,0|2,0,0]=4 494 B10R0.88 CCCC(OCCF)C(=O)N 7a_100011626294_100011217306 [1,1,0,0,0,0|2,0,0]=4 495 B10R0.88 CCCC(OCCO)C(=O)N 34a_100011626294_100000211926 [1,1,0,0,0,0|2,0,0]=4 496 B10R0.88 CCCC(OCCO)C(=O)N 7a_100011626294_100000211926 [1,1,0,0,0,0|2,0,0]=4 497 B10R0.88 CCCC(OCSC)C(=O)N 34a_100011626294_100011218213 [1,1,0,0,0,0|2,0,0]=4 498 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [1,1,0,0,0,0|1,0,1]=4 499 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [1,1,0,0,0,0|2,0,0]=4 500 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [1,1,0,0,0,0|2,0,0]=4 501 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [1,1,0,0,0,0|2,0,0]=4 502 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [1,1,0,0,0,0|2,0,0]=4 503 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [1,1,0,0,0,0|2,0,0]=4 504 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [1,1,0,0,0,0|2,0,0]=4 505 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [1,1,0,0,0,0|1,0,1]=4 506 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [1,1,0,0,0,0|1,0,1]=4 507 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [1,1,0,0,0,0|0,0,1]=3 508 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [1,1,0,0,0,0|1,0,1]=4 509 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [1,1,0,0,0,0|1,0,1]=4 510 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [1,1,0,0,0,0|1,0,1]=4 511 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [1,1,0,0,0,0|1,0,1]=4 512 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [1,1,0,0,0,0|1,0,1]=4 513 B10R0.88 CCC[C@H](NCC#N)C(=O)O 269956a_100000750406_100011215382 [1,1,0,0,0,0|1,0,1]=4 514 B10R0.88 CCC[C@H](NCC=O)C(=O)O 269956a_100000750406_200015260668 [1,1,0,0,0,0|1,0,1]=4 515 B10R0.88 CCC[C@H](NCCF)C(=O)N 2230a_100000729256_100011217306 [1,1,0,0,0,0|2,0,0]=4 516 B10R0.88 CCC[C@H](NCCF)C(=O)N 34a_100000729256_100011217306 [1,1,0,0,0,0|2,0,0]=4 517 B10R0.88 CCC[C@H](NCCF)C(=O)O 269956a_100000750406_100011217306 [1,1,0,0,0,0|1,0,0]=3 518 B10R0.88 CCC[C@H](NCCO)C(=O)N 2230a_100000729256_100000211926 [1,1,0,0,0,0|2,0,0]=4 519 B10R0.88 CCC[C@H](NCCO)C(=O)N 34a_100000729256_100000211926 [1,1,0,0,0,0|2,0,0]=4 520 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [1,1,0,0,0,0|1,0,0]=3 521 B10R0.88 CCC[C@H](NCOC)C(=O)N 2230a_100000729256_100000766300 [1,1,0,0,0,0|2,0,0]=4 522 B10R0.88 CCC[C@H](NCOC)C(=O)O 269956a_100000750406_100000766300 [1,1,0,0,0,0|1,0,0]=3 523 B10R0.88 CCC[C@H](NCSC)C(=O)N 2230a_100000729256_100011218213 [1,1,0,0,0,0|2,0,0]=4 524 B10R0.88 CCC[C@H](NCSC)C(=O)N 34a_100000729256_100011218213 [1,1,0,0,0,0|2,0,0]=4 525 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [1,1,0,0,0,0|1,0,0]=3 526 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [1,1,0,0,0,0|2,0,0]=4 527 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [1,1,0,0,0,0|2,0,0]=4 528 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [1,1,0,0,0,0|1,0,0]=3 529 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [1,1,0,0,0,0|1,0,0]=3 530 B10R0.88 COCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000766300 [1,1,0,0,0,0|2,0,0]=4 531 B10R0.88 COCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766300 [1,1,0,0,0,0|2,0,0]=4 532 B10R0.88 COCN[C@H](COC)C(=O)O 269956a_100011998655_100000766300 [1,1,0,0,0,0|2,0,0]=4 533 B10R0.88 COC[C@@H](NCCF)C(=O)O 269956a_100011998655_100011217306 [1,1,0,0,0,0|2,0,0]=4 534 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [1,1,0,0,0,0|2,0,0]=4 535 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [1,1,0,0,0,0|2,0,0]=4 536 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [1,1,0,0,0,0|2,0,0]=4 537 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [1,1,0,0,0,0|2,0,0]=4 538 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [1,1,0,0,0,0|2,0,0]=4 539 B10R0.88 CSC[C@H](NCCF)C(=O)O 269956a_100011421858_100011217306 [1,1,0,0,0,0|2,0,0]=4 540 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [1,1,0,0,0,0|2,0,0]=4 541 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [1,1,0,0,0,0|2,0,0]=4 542 B10R0.88 C[Se]C[C@H](NCCF)C(=O)O 269956a_100015254316_100011217306 [1,1,0,0,0,0|2,0,0]=4 543 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [1,1,0,0,0,0|2,0,0]=4 544 B10R0.76 C=C(C)C(=O)C(CC)C(=O)N 1458a_100000185857_100000750255 [1,1,0,0,0,0|1,0,1]=4 545 B10R0.76 CCC(C(=O)C)C(=O)N(C)C 1458a_100000070787_100011763435 [1,1,0,0,0,0|2,0,0]=4 546 B10R0.76 CCC(C(=O)N)C(=O)C(C)C 1458a_100000210198_100000750255 [1,1,0,0,0,0|1,0,0]=3 547 B10R0.76 CCC(C(=O)N)C(=O)C(C)F 1458a_100000062450_100000750255 [1,1,0,0,0,0|1,0,0]=3 548 B10R0.76 CCC(C(=O)N)C(=O)C(O)O 1458a_100000233687_100000750255 [1,1,0,0,0,0|2,0,0]=4 549 B10R0.76 CCC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000750255 [1,1,0,0,0,0|1,0,0]=3 550 B10R0.76 CCC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000750255 [1,1,0,0,0,0|1,0,0]=3 551 B10R0.101 C#CCC(=O)C(CC)C(=O)N 1458a_100011220946_100000750255 [1,1,0,0,0,0|1,0,1]=4 552 B10R0.101 C=CCC(=O)C(CC)C(=O)N 1458a_100000210193_100000750255 [1,1,0,0,0,0|1,0,1]=4 553 B10R0.101 CC#CC(=O)C(CC)C(=O)N 1458a_100000763181_100000750255 [1,1,0,0,0,0|1,0,1]=4 554 B10R0.101 CC=CC(=O)C(CC)C(=O)N 1458a_100000210699_100000750255 [1,1,0,0,0,0|1,0,1]=4 555 B10R0.101 CCC(C(=O)N)C(=O)CC#N 1458a_100051588842_100000750255 [1,1,0,0,0,0|1,0,1]=4 556 B10R0.101 CCC(C(=O)N)C(=O)CCO 1458a_100011216618_100000750255 [1,1,0,0,0,0|1,0,0]=3 557 B10R0.101 CCC(C(=O)N)C(=O)COC 1458a_100000210968_100000750255 [1,1,0,0,0,0|1,0,0]=3 558 B10R0.101 CCC(C(=O)N)C(=O)CSC 1458a_100000184570_100000750255 [1,1,0,0,0,0|1,0,0]=3 559 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [1,1,0,0,0,0|1,0,0]=3 560 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [1,1,0,0,0,0|1,0,0]=3 561 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [1,1,0,0,0,0|2,0,0]=4 562 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [1,1,0,0,0,0|2,0,0]=4 563 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [1,1,0,0,0,0|2,0,0]=4 564 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [1,1,0,0,0,0|2,0,0]=4 565 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [1,1,0,0,0,0|2,0,0]=4 566 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [1,1,0,0,0,0|2,0,0]=4 567 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [1,1,0,0,0,0|2,0,0]=4 568 B10R0.118 CC(C)C(C(=O)N)C(=O)CO 1458a_100000210174_100000230017 [1,1,0,0,0,0|2,0,0]=4 569 B10R0.118 CCC(=O)C(C(=O)N)C(C)C 1458a_100000210414_100000230017 [1,1,0,0,0,0|1,0,0]=3 570 B10R0.118 CCN(C)[C@H](C(=O)O)C(C)C 269956a_100015941355_100000210202 [1,1,0,0,0,0|2,0,0]=4 571 B10R0.118 COC(=O)C(C(=O)C)C(C)C 1458a_100000070787_100000736125 [1,1,0,0,0,0|2,0,0]=4 572 B10R0.17 CC(=O)C(SCCF)C(=O)C 62a_100000210371_100011217306 [1,1,0,0,0,0|2,0,0]=4 573 B10R0.17 CC(=O)C(SCCF)C(=O)C 62a_100011217306_100000210371 [1,1,0,0,0,0|2,0,0]=4 574 B10R0.17 CC(=O)C(SCCO)C(=O)C 62a_100000210371_100000211926 [1,1,0,0,0,0|2,0,0]=4 575 B10R0.17 CC(=O)C(SCCO)C(=O)C 62a_100000211926_100000210371 [1,1,0,0,0,0|2,0,0]=4 576 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [1,1,0,0,0,0|1,0,0]=3 577 B10R0.17 CCCNC(C(=O)N)C(=O)N 2230a_100000025885_100000210303 [1,1,0,0,0,0|2,0,0]=4 578 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [1,1,0,0,0,0|0,0,2]=4 579 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [1,1,0,0,0,0|1,0,1]=4 580 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210303_100000210371 [1,1,0,0,0,0|1,0,0]=3 581 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210303 [1,1,0,0,0,0|1,0,0]=3 582 B10R0.17 COCSC(C(=O)C)C(=O)C 62a_100000210371_100000766300 [1,1,0,0,0,0|2,0,0]=4 583 B10R0.17 COCSC(C(=O)C)C(=O)C 62a_100000766300_100000210371 [1,1,0,0,0,0|2,0,0]=4 584 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100000210371_100011218213 [1,1,0,0,0,0|2,0,0]=4 585 B10R0.17 CSCSC(C(=O)C)C(=O)C 62a_100011218213_100000210371 [1,1,0,0,0,0|2,0,0]=4 586 B10R0.162 CC(=O)C(SC(C)C)C(=O)C 62a_100000210206_100000210371 [1,1,0,0,0,0|2,0,0]=4 587 B10R0.162 CC(=O)C(SC(C)C)C(=O)C 62a_100000210371_100000210206 [1,1,0,0,0,0|2,0,0]=4 588 B12R0.53 CCC[C@H](NC(=O)C)C(=O)C(C)C 1458a_100011995990_100000210206 [0,1,0,0,0,1|1,0,0]=3 589 B12R0.53 CCC[C@H](NC(=O)C)C(=O)N(C)C 11a_100102631434_100011995990 [0,1,0,0,0,1|2,0,0]=4 590 B12R0.53 CCC[C@H](NC(=O)C)C(=O)N(C)C 1626a_100102631434_100011995990 [0,1,0,0,0,1|2,0,0]=4 591 B12R0.53 CCC[C@H](NC(=O)C)C(=O)N(C)C 240690a_100102631434_100011995990 [0,1,0,0,0,1|2,0,0]=4 592 B12R0.53 CCC[C@H](NC(=O)C)C(=O)N(C)C 527a_100102631434_100011995990 [0,1,0,0,0,1|2,0,0]=4 593 B12R0.53 COCC(NC(=O)C)C(=O)C(C)C 1458a_200012277492_100000210206 [0,1,0,0,0,1|2,0,0]=4 594 B12R0.180 CC(=O)N[C@@H](CC(C)C)C(=O)CF 1458a_100000699969_100015361967 [0,1,0,0,0,1|2,0,0]=4 595 B12R0.180 CCC(=O)[C@H](CC(C)C)NC(=O)C 1458a_100000699969_100000210202 [0,1,0,0,0,1|1,0,0]=3 596 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 11a_106832991635_100000699969 [0,1,0,0,0,1|2,0,0]=4 597 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 1626a_100102657272_100000699969 [0,1,0,0,0,1|2,0,0]=4 598 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 240690a_100102657272_100000699969 [0,1,0,0,0,1|2,0,0]=4 599 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 527a_100102657272_100000699969 [0,1,0,0,0,1|2,0,0]=4 600 B12R0.180 COC(=O)[C@@H](CC(C)C)NC(=O)C 188690a_100000005450_100015343762 [0,1,0,0,0,1|2,0,0]=4 601 B12R0.182 CCC(=O)[C@@H](NC(=O)C)[C@@H](C)CC 1458a_100000729982_100000210202 [0,1,0,0,0,1|1,0,0]=3 602 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)CF 1458a_100000729982_100015361967 [0,1,0,0,0,1|2,0,0]=4 603 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)NC 11a_106832991635_100000729982 [0,1,0,0,0,1|2,0,0]=4 604 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)NC 1626a_100102657272_100000729982 [0,1,0,0,0,1|2,0,0]=4 605 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)NC 240690a_100102657272_100000729982 [0,1,0,0,0,1|2,0,0]=4 606 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)NC 527a_100102657272_100000729982 [0,1,0,0,0,1|2,0,0]=4 607 B12R0.182 CC[C@H](C)[C@H](NC(=O)C)C(=O)OC 188690a_100000744154_100015343762 [0,1,0,0,0,1|2,0,0]=4 608 B12R0.247 CCC(=O)C(CCSC)NC(=O)N 1458a_100000182937_100000210202 [0,1,0,0,0,1|1,0,0]=3 609 B12R0.247 CCC(=O)[C@@H](CCSC)NC(=O)C 1458a_100011933958_100000210202 [0,1,0,0,0,1|1,0,0]=3 610 B12R0.247 CCCCC(NC(=O)C)C(=O)CC 1458a_100000194794_100000210202 [0,1,0,0,0,1|1,0,0]=3 611 B12R0.247 CCCCC(NC(=O)C)C(=O)CF 1458a_100000194794_100015361967 [0,1,0,0,0,1|2,0,0]=4 612 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 11a_106832991635_100000194794 [0,1,0,0,0,1|2,0,0]=4 613 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 1626a_100102657272_100000194794 [0,1,0,0,0,1|2,0,0]=4 614 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 240690a_100102657272_100000194794 [0,1,0,0,0,1|2,0,0]=4 615 B12R0.247 CCCCC(NC(=O)C)C(=O)NC 527a_100102657272_100000194794 [0,1,0,0,0,1|2,0,0]=4 616 B12R0.247 CCCCC(NC(=O)C)C(=O)OC 188690a_100000701681_100015343762 [0,1,0,0,0,1|2,0,0]=4 617 B12R0.247 CCCN[C@H](CC(=O)O)[C@@H](C)CC 269956a_100020625877_100000210207 [0,1,0,0,0,1|1,0,1]=4 618 B12R0.247 CCSCC(NC(=O)C)C(=O)OC 62a_100000210202_100000763271 [0,1,0,0,0,1|2,0,0]=4 619 B12R0.247 CCSCC(NC(=O)C)C(=O)OC 62a_100000763271_100000210202 [0,1,0,0,0,1|2,0,0]=4 620 B12R0.247 CNC(=O)C(CCSC)NC(=O)N 1626a_100102657272_100000182937 [0,1,0,0,0,1|2,0,0]=4 621 B12R0.247 CNC(=O)C(CCSC)NC(=O)N 240690a_100102657272_100000182937 [0,1,0,0,0,1|2,0,0]=4 622 B12R0.247 CNC(=O)C(CCSC)NC(=O)N 527a_100102657272_100000182937 [0,1,0,0,0,1|2,0,0]=4 623 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 11a_106832991635_100011933958 [0,1,0,0,0,1|2,0,0]=4 624 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 1626a_100102657272_100011933958 [0,1,0,0,0,1|2,0,0]=4 625 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 240690a_100102657272_100011933958 [0,1,0,0,0,1|2,0,0]=4 626 B12R0.247 CNC(=O)[C@@H](CCSC)NC(=O)C 527a_100102657272_100011933958 [0,1,0,0,0,1|2,0,0]=4 627 B12R0.247 COC(=O)[C@@H](CCSC)NC(=O)C 188690a_100020625969_100015343762 [0,1,0,0,0,1|2,0,0]=4 628 B12R0.247 CSCCC(NC(=O)N)C(=O)CF 1458a_100000182937_100015361967 [0,1,0,0,0,1|2,0,0]=4 629 B12R0.247 CSCC[C@@H](NC(=O)C)C(=O)CF 1458a_100011933958_100015361967 [0,1,0,0,0,1|2,0,0]=4 630 B12R0.284 C#CCC(=O)[C@H](CCC)NC(=O)C 1458a_100011995990_100000184674 [0,1,0,0,0,1|1,0,1]=4 631 B12R0.284 C=CCC(=O)[C@H](CCC)NC(=O)C 1458a_100011995990_100000210623 [0,1,0,0,0,1|1,0,1]=4 632 B12R0.284 CCCC(=O)C(COC)NC(=O)C 1458a_200012277492_100000210303 [0,1,0,0,0,1|2,0,0]=4 633 B12R0.284 CCCC(=O)[C@H](CCC)NC(=O)C 1458a_100011995990_100000210303 [0,1,0,0,0,1|1,0,0]=3 634 B12R0.284 CCC[C@H](NC(=O)C)C(=O)CC#N 1458a_100011995990_100011214920 [0,1,0,0,0,1|1,0,1]=4 635 B12R0.284 CCC[C@H](NC(=O)C)C(=O)CCF 1458a_100011995990_100011217306 [0,1,0,0,0,1|1,0,0]=3 636 B12R0.284 CCC[C@H](NC(=O)C)C(=O)CCO 1458a_100011995990_100000211926 [0,1,0,0,0,1|1,0,0]=3 637 B12R0.284 CCC[C@H](NC(=O)C)C(=O)NCC 11a_100015525214_100011995990 [0,1,0,0,0,1|1,0,0]=3 638 B12R0.284 CCC[C@H](NC(=O)C)C(=O)NCC 240690a_100015525214_100011995990 [0,1,0,0,0,1|1,0,0]=3 639 B12R0.284 CCC[C@H](NC(=O)C)C(=O)NCC 527a_100015525214_100011995990 [0,1,0,0,0,1|1,0,0]=3 640 B12R0.284 CCC[C@H](NC(=O)C)C(=O)NNC 22a_100016993582_100011995990 [0,1,0,0,0,1|2,0,0]=4 641 B12R0.284 CCC[C@H](NC(=O)C)C(=O)OCC 188690a_100000056038_100015343762 [0,1,0,0,0,1|1,0,0]=3 642 B12R0.284 CCNC(=O)C(COC)NC(=O)C 11a_100015525214_200012277492 [0,1,0,0,0,1|2,0,0]=4 643 B12R0.284 CCNC(=O)C(COC)NC(=O)C 240690a_100015525214_200012277492 [0,1,0,0,0,1|2,0,0]=4 644 B12R0.284 CCNC(=O)C(COC)NC(=O)C 527a_100015525214_200012277492 [0,1,0,0,0,1|2,0,0]=4 645 B12R0.284 CCOC(=O)C(CSC)NC(=O)C 188690a_100025773501_100015343762 [0,1,0,0,0,1|2,0,0]=4 646 B12R0.284 COCC(NC(=O)C)C(=O)CCF 1458a_200012277492_100011217306 [0,1,0,0,0,1|2,0,0]=4 647 B12R0.284 COCC(NC(=O)C)C(=O)CCO 1458a_200012277492_100000211926 [0,1,0,0,0,1|2,0,0]=4 648 B12R0.407 C=CC(=O)NC(CCC)C(=O)NC 1626a_106256046333_100000185746 [0,1,0,0,0,1|2,0,0]=4 649 B12R0.407 C=CC(=O)NC(CCC)C(=O)NC 240690a_106256046333_200121576911 [0,1,0,0,0,1|2,0,0]=4 650 B12R0.407 C=CC[C@H](NC(=O)OC)C(=O)CC 1458a_100025711002_100000210202 [0,1,0,0,0,1|0,0,2]=4 651 B12R0.407 CCCC(NC(=O)CC)C(=O)NC 11a_106256046333_100000210414 [0,1,0,0,0,1|2,0,0]=4 652 B12R0.407 CCCC(NC(=O)CC)C(=O)NC 1626a_106256046333_100000210414 [0,1,0,0,0,1|2,0,0]=4 653 B12R0.407 CCCC(NC(=O)CC)C(=O)NC 240690a_106256046333_100000210414 [0,1,0,0,0,1|2,0,0]=4 654 B12R0.407 CCCC(NC(=O)CC)C(=O)NC 527a_106256046333_100000210414 [0,1,0,0,0,1|2,0,0]=4 655 B12R0.407 CCCC(NC(=O)CC)C(=O)OC 188690a_100000696665_100000210414 [0,1,0,0,0,1|2,0,0]=4 656 B12R0.407 CCCC(NC(=O)CO)C(=O)NC 240690a_106256046333_100000210174 [0,1,0,0,0,1|1,0,0]=3 657 B12R0.407 CCCC(NC(=O)CO)C(=O)NC 527a_106256046333_100000210174 [0,1,0,0,0,1|1,0,0]=3 658 B12R0.407 CCCC(NC(=O)CO)C(=O)OC 188690a_100000696665_100000210174 [0,1,0,0,0,1|1,0,0]=3 659 B12R0.407 CCCC(NC(=O)NC)C(=O)NC 2708a_100102657272_106256046333 [0,1,0,0,0,1|2,0,0]=4 660 B12R0.407 CCCC(NC(=O)NC)C(=O)NC 273464a_100102657272_106256046333 [0,1,0,0,0,1|2,0,0]=4 661 B12R0.407 CCCC(NC(=O)NC)C(=O)NC 273464a_106256046333_100102657272 [0,1,0,0,0,1|2,0,0]=4 662 B12R0.407 CCCC(NC(=O)NC)C(=O)NC 512a_106256046333_100102657272 [0,1,0,0,0,1|2,0,0]=4 663 B12R0.407 CCCC(NC(=O)NC)C(=O)NC 512a_106832991638_106256046333 [0,1,0,0,0,1|2,0,0]=4 664 B12R0.407 CCO[C@@H](CC(=O)OC)C(=O)OC 34a_100015190871_100000210202 [0,1,0,0,0,1|2,0,0]=4 665 B12R0.407 COC(=O)[C@H](CSC)NC(=O)CO 188690a_100015184942_100000210174 [0,1,0,0,0,1|2,0,0]=4 666 B12R0.407 COC[C@@H](NC(=O)CO)C(=O)OC 188690a_100025726687_100000210174 [0,1,0,0,0,1|2,0,0]=4 667 B12R0.19 C#CCC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100011220946 [0,1,0,0,0,1|1,0,1]=4 668 B12R0.19 C#CCC(=O)N[C@@H](CCC)C(=O)N 527a_100000729256_100011220946 [0,1,0,0,0,1|1,0,1]=4 669 B12R0.19 C=CCC(=O)N[C@@H](CCC)C(=O)N 11a_100000729256_100000210193 [0,1,0,0,0,1|1,0,1]=4 670 B12R0.19 C=CCC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000210193 [0,1,0,0,0,1|1,0,1]=4 671 B12R0.19 C=CCC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_100000210193 [0,1,0,0,0,1|1,0,1]=4 672 B12R0.19 C=CCC(=O)N[C@@H](CCC)C(=O)N 527a_100000729256_100000210193 [0,1,0,0,0,1|1,0,1]=4 673 B12R0.19 CC=CC(=O)N[C@@H](CCC)C(=O)N 11a_100000729256_100000210699 [0,1,0,0,0,1|1,0,1]=4 674 B12R0.19 CC=CC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000210699 [0,1,0,0,0,1|1,0,1]=4 675 B12R0.19 CC=CC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_100000210699 [0,1,0,0,0,1|1,0,1]=4 676 B12R0.19 CCCC(=O)N[C@@H](CCC)C(=O)N 11a_100000729256_100000211992 [0,1,0,0,0,1|1,0,0]=3 677 B12R0.19 CCCC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000211992 [0,1,0,0,0,1|1,0,0]=3 678 B12R0.19 CCCC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_100000211992 [0,1,0,0,0,1|1,0,0]=3 679 B12R0.19 CCCC(=O)N[C@@H](CCC)C(=O)N 527a_100000729256_100000211992 [0,1,0,0,0,1|1,0,0]=3 680 B12R0.19 CCCC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100000766640 [0,1,0,0,0,1|1,0,1]=4 681 B12R0.19 CCCC(NC(=O)CNC)C(=O)O 269956a_100011216050_200000210301 [0,1,0,0,0,1|0,0,0]=2 682 B12R0.19 CCCC(NC(=O)CN[13CH3])C(=O)O 269956a_100011216050_200025704644 [0,1,0,0,0,1|0,0,0]=2 683 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 11a_100000221057_100015343762 [0,1,0,0,0,1|2,0,0]=4 684 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 1626a_100000221057_100015343762 [0,1,0,0,0,1|2,0,0]=4 685 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 240690a_100000221057_100015343762 [0,1,0,0,0,1|2,0,0]=4 686 B12R0.19 CCCN(CC(=O)OCC)C(=O)C 527a_100000221057_100103153847 [0,1,0,0,0,1|2,0,0]=4 687 B12R0.19 CCC[C@H](NC(=O)CC#N)C(=O)N 1626a_100000729256_100051588842 [0,1,0,0,0,1|1,0,1]=4 688 B12R0.19 CCC[C@H](NC(=O)CC#N)C(=O)N 240690a_100000729256_100051588842 [0,1,0,0,0,1|1,0,1]=4 689 B12R0.19 CCC[C@H](NC(=O)CCO)C(=O)N 240690a_100000729256_100011216618 [0,1,0,0,0,1|1,0,0]=3 690 B12R0.19 CCC[C@H](NC(=O)COC)C(=O)N 11a_100000729256_100000210968 [0,1,0,0,0,1|1,0,0]=3 691 B12R0.19 CCC[C@H](NC(=O)COC)C(=O)N 1626a_100000729256_100000210968 [0,1,0,0,0,1|1,0,0]=3 692 B12R0.19 CCC[C@H](NC(=O)COC)C(=O)N 240690a_100000729256_100000210968 [0,1,0,0,0,1|1,0,0]=3 693 B12R0.19 CCC[C@H](NC(=O)COC)C(=O)N 527a_100000729256_100000210968 [0,1,0,0,0,1|1,0,0]=3 694 B12R0.19 CCC[C@H](NC(=O)CSC)C(=O)N 11a_100000729256_100000184570 [0,1,0,0,0,1|1,0,0]=3 695 B12R0.19 CCC[C@H](NC(=O)CSC)C(=O)N 1626a_100000729256_100000184570 [0,1,0,0,0,1|1,0,0]=3 696 B12R0.19 CCC[C@H](NC(=O)CSC)C(=O)N 240690a_100000729256_100000184570 [0,1,0,0,0,1|1,0,0]=3 697 B12R0.19 CCC[C@H](NC(=O)CSC)C(=O)N 527a_100000729256_100000184570 [0,1,0,0,0,1|1,0,0]=3 698 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 2708a_100015525214_100000729256 [0,1,0,0,0,1|1,0,0]=3 699 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 273464a_100000729256_100015525214 [0,1,0,0,0,1|1,0,0]=3 700 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 273464a_100015525214_100000729256 [0,1,0,0,0,1|1,0,0]=3 701 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 512a_100000729256_100015525214 [0,1,0,0,0,1|1,0,0]=3 702 B12R0.19 CCC[C@H](NC(=O)NCC)C(=O)N 512a_100015525214_100000729256 [0,1,0,0,0,1|1,0,0]=3 703 B12R0.19 CCC[C@H](NC(=O)NNC)C(=O)N 273464a_100000729256_100016993582 [0,1,0,0,0,1|2,0,0]=4 704 B12R0.19 CCC[C@H](NC(=O)NNC)C(=O)N 512a_100000729256_100016993582 [0,1,0,0,0,1|2,0,0]=4 705 B12R0.19 CCC[C@H](NC(=O)NNC)C(=O)N 512a_100016993582_100000729256 [0,1,0,0,0,1|2,0,0]=4 706 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)O 269956a_100000750406_100009893172 [0,1,0,0,0,1|1,0,1]=4 707 B12R0.19 CCC[C@H](NC(C)COC)C(=O)O 269956a_100000750406_100000765312 [0,1,0,0,0,1|1,0,1]=4 708 B12R0.29 CCC[C@H](NC(CC)CC)C(=O)O 269956a_100000750406_100000210505 [0,1,0,0,0,1|1,0,1]=4 709 B12R0.129 CCC(=O)NC(CCSC)C(=O)C 1458a_100000194488_200000210301 [0,1,0,0,0,1|1,0,0]=3 710 B12R0.129 CCC(=O)NC(CCSC)C(=O)[13CH3] 1458a_100000194488_200025704644 [0,1,0,0,0,1|1,0,0]=3 711 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 11a_100000119342_100000210414 [0,1,0,0,0,1|1,0,0]=3 712 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 1626a_100000119342_100000210414 [0,1,0,0,0,1|1,0,0]=3 713 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 240690a_100000119342_100000210414 [0,1,0,0,0,1|1,0,0]=3 714 B12R0.129 CCC(=O)N[C@@H](CCSC)C(=O)N 527a_100000119342_100000210414 [0,1,0,0,0,1|1,0,0]=3 715 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000758301 [0,1,0,0,0,1|1,0,1]=4 716 B12R0.129 CCC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000758301 [0,1,0,0,0,1|1,0,1]=4 717 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 11a_100000124899_100000210414 [0,1,0,0,0,1|1,0,0]=3 718 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 1626a_100000124899_100000210414 [0,1,0,0,0,1|1,0,0]=3 719 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 240690a_100000124899_100000210414 [0,1,0,0,0,1|1,0,0]=3 720 B12R0.129 CCCC[C@H](NC(=O)CC)C(=O)N 527a_100000124899_100000210414 [0,1,0,0,0,1|1,0,0]=3 721 B12R0.129 CCCC[C@H](NC(=O)CO)C(=O)N 240690a_100000124899_100000210174 [0,1,0,0,0,1|2,0,0]=4 722 B12R0.129 CCCC[C@H](NC(=O)CO)C(=O)N 527a_100000124899_100000210174 [0,1,0,0,0,1|2,0,0]=4 723 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 2708a_100102657272_100000124899 [0,1,0,0,0,1|2,0,0]=4 724 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 273464a_100000124899_100102657272 [0,1,0,0,0,1|2,0,0]=4 725 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 273464a_100102657272_100000124899 [0,1,0,0,0,1|2,0,0]=4 726 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 512a_100000124899_100102657272 [0,1,0,0,0,1|2,0,0]=4 727 B12R0.129 CCCC[C@H](NC(=O)NC)C(=O)N 512a_106832991638_100000124899 [0,1,0,0,0,1|2,0,0]=4 728 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 2708a_100102657272_100000119342 [0,1,0,0,0,1|2,0,0]=4 729 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100000119342_100102657272 [0,1,0,0,0,1|2,0,0]=4 730 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 273464a_100102657272_100000119342 [0,1,0,0,0,1|2,0,0]=4 731 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 512a_100000119342_100102657272 [0,1,0,0,0,1|2,0,0]=4 732 B12R0.129 CNC(=O)N[C@@H](CCSC)C(=O)N 512a_106832991638_100000119342 [0,1,0,0,0,1|2,0,0]=4 733 B12R0.129 CSCC[C@H](NC(=O)CO)C(=O)N 240690a_100000119342_100000210174 [0,1,0,0,0,1|2,0,0]=4 734 B12R0.129 CSCC[C@H](NC(=O)CO)C(=O)N 527a_100000119342_100000210174 [0,1,0,0,0,1|2,0,0]=4 735 B12R0.151 CC(C)C[C@H](NC(=O)CO)C(=O)N 240690a_100016989234_100000210174 [0,1,0,0,0,1|2,0,0]=4 736 B12R0.151 CC(C)C[C@H](NC(=O)CO)C(=O)N 527a_100016989234_100000210174 [0,1,0,0,0,1|2,0,0]=4 737 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100000210414 [0,1,0,0,0,1|1,0,0]=3 738 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100000210414 [0,1,0,0,0,1|1,0,0]=3 739 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100000210414 [0,1,0,0,0,1|1,0,0]=3 740 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100000210414 [0,1,0,0,0,1|1,0,0]=3 741 B12R0.151 CNC(=O)N[C@@H](CC(C)C)C(=O)N 273464a_100016989234_100102657272 [0,1,0,0,0,1|2,0,0]=4 742 B12R0.151 CNC(=O)N[C@@H](CC(C)C)C(=O)N 273464a_100102657272_100016989234 [0,1,0,0,0,1|2,0,0]=4 743 B12R0.151 CNC(=O)N[C@@H](CC(C)C)C(=O)N 512a_100016989234_100102657272 [0,1,0,0,0,1|2,0,0]=4 744 B12R0.151 COC(=O)NC(CC(C)C)C(=O)C 1458a_100000745475_200000210301 [0,1,0,0,0,1|2,0,0]=4 745 B12R0.151 COC(=O)NC(CC(C)C)C(=O)[13CH3] 1458a_100000745475_200025704644 [0,1,0,0,0,1|2,0,0]=4 746 B12R0.158 CCC(=O)N[C@H](C(=O)N)[C@@H](C)CC 11a_100000758034_100000210414 [0,1,0,0,0,1|1,0,0]=3 747 B12R0.158 CCC(=O)N[C@H](C(=O)N)[C@@H](C)CC 1626a_100000758034_100000210414 [0,1,0,0,0,1|1,0,0]=3 748 B12R0.158 CCC(=O)N[C@H](C(=O)N)[C@@H](C)CC 240690a_100000758034_100000210414 [0,1,0,0,0,1|1,0,0]=3 749 B12R0.158 CCC(=O)N[C@H](C(=O)N)[C@@H](C)CC 527a_100000758034_100000210414 [0,1,0,0,0,1|1,0,0]=3 750 B12R0.158 CCC(C)N[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000758301 [0,1,0,0,0,1|1,0,1]=4 751 B12R0.158 CC[C@H](C)[C@H](NC(=O)CO)C(=O)N 240690a_100000758034_100000210174 [0,1,0,0,0,1|2,0,0]=4 752 B12R0.158 CC[C@H](C)[C@H](NC(=O)CO)C(=O)N 527a_100000758034_100000210174 [0,1,0,0,0,1|2,0,0]=4 753 B12R0.158 CC[C@H](C)[C@H](NC(=O)NC)C(=O)N 273464a_100000758034_100102657272 [0,1,0,0,0,1|2,0,0]=4 754 B12R0.158 CC[C@H](C)[C@H](NC(=O)NC)C(=O)N 273464a_100102657272_100000758034 [0,1,0,0,0,1|2,0,0]=4 755 B12R0.158 CC[C@H](C)[C@H](NC(=O)NC)C(=O)N 512a_100000758034_100102657272 [0,1,0,0,0,1|2,0,0]=4 756 B12R0.158 CC[C@H](C)[C@H](NC(=O)NC)C(=O)N 512a_106832991638_100000758034 [0,1,0,0,0,1|2,0,0]=4 757 B12R0.372 CCC[C@H](NC(C)(C)CC)C(=O)O 269956a_100000750406_100000032637 [0,1,0,0,0,1|1,0,1]=4 758 B12R0.372 CCC[C@H](NS(=O)(=O)CC)C(=O)N 270084a_100000729256_100000211323 [0,1,0,0,0,1|2,0,0]=4 759 B12R0.372 CCC[C@H](NS(=O)(=O)CC)C(=O)N 274078a_100000729256_100000211323 [0,1,0,0,0,1|2,0,0]=4 760 B12R0.372 CCC[C@H](NS(=O)(=O)CC)C(=O)N 40a_100000729256_100000053943 [0,1,0,0,0,1|2,0,0]=4 761 B12R0.400 C=C(C)C(=O)N[C@@H](CCC)C(=O)N 11a_100000729256_100000185857 [0,1,0,0,0,1|1,0,1]=4 762 B12R0.400 C=C(C)C(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000185857 [0,1,0,0,0,1|1,0,1]=4 763 B12R0.400 CCC[C@H](NC(=O)C(C)C)C(=O)N 11a_100000729256_100000210198 [0,1,0,0,0,1|1,0,0]=3 764 B12R0.400 CCC[C@H](NC(=O)C(C)C)C(=O)N 1626a_100000729256_100000210198 [0,1,0,0,0,1|1,0,0]=3 765 B12R0.400 CCC[C@H](NC(=O)C(C)C)C(=O)N 240690a_100000729256_100000210198 [0,1,0,0,0,1|1,0,0]=3 766 B12R0.400 CCC[C@H](NC(=O)C(C)C)C(=O)N 527a_100000729256_100000210198 [0,1,0,0,0,1|1,0,0]=3 767 B12R0.400 CCC[C@H](NC(=O)C(C)F)C(=O)N 11a_100000729256_100000062450 [0,1,0,0,0,1|1,0,0]=3 768 B12R0.400 CCC[C@H](NC(=O)C(C)F)C(=O)N 1626a_100000729256_100000062450 [0,1,0,0,0,1|1,0,0]=3 769 B12R0.400 CCC[C@H](NC(=O)C(C)F)C(=O)N 240690a_100000729256_100000062450 [0,1,0,0,0,1|1,0,0]=3 770 B12R0.400 CCC[C@H](NC(=O)C(C)F)C(=O)N 527a_100000729256_100000062450 [0,1,0,0,0,1|1,0,0]=3 771 B12R0.400 CCC[C@H](NC(=O)C(F)F)C(=O)N 11a_100000729256_100000210393 [0,1,0,0,0,1|2,0,0]=4 772 B12R0.400 CCC[C@H](NC(=O)C(F)F)C(=O)N 1626a_100000729256_100000210393 [0,1,0,0,0,1|2,0,0]=4 773 B12R0.400 CCC[C@H](NC(=O)C(F)F)C(=O)N 240690a_100000729256_100000210393 [0,1,0,0,0,1|2,0,0]=4 774 B12R0.400 CCC[C@H](NC(=O)C(F)F)C(=O)N 527a_100000729256_100000210393 [0,1,0,0,0,1|2,0,0]=4 775 B12R0.400 CCC[C@H](NC(=O)C(O)O)C(=O)N 240690a_100000729256_100000233687 [0,1,0,0,0,1|2,0,0]=4 776 B12R0.400 CCC[C@H](NC(=O)[C@@H](C)O)C(=O)N 240690a_100000729256_100000717761 [0,1,0,0,0,1|1,0,0]=3 777 B12R0.400 CCC[C@H](NC(=O)[C@H](C)O)C(=O)N 1626a_100000729256_217856618621 [0,1,0,0,0,1|1,0,0]=3 778 B12R0.400 CCC[C@H](NC(=O)[C@H](C)O)C(=O)N 240690a_100000729256_217856618621 [0,1,0,0,0,1|1,0,0]=3 779 B12R0.185 CC[C@H](C)[C@@H](C(=O)OC)N(C)CC 2230a_200025714652_100000210202 [0,2,0,0,0,0|2,0,0]=4 780 B12R0.185 CC[C@H](C)[C@@H](C(=O)OC)N(C)CC 269982a_200025714652_100000204670 [0,2,0,0,0,0|2,0,0]=4 781 B12R0.249 C#CC(=O)C(CCCC)C(=O)OC 1458a_100000211873_100000750740 [0,2,0,0,0,0|0,0,2]=4 782 B12R0.249 C#CCSC(C(=O)CC)C(=O)OC 62a_100000038162_100000056495 [0,2,0,0,0,0|0,0,2]=4 783 B12R0.249 C=CC(=O)C(CCCC)C(=O)OC 1458a_100000185746_100000750740 [0,2,0,0,0,0|0,0,2]=4 784 B12R0.249 C=CCSC(C(=O)CC)C(=O)OC 62a_100000056495_100000210623 [0,2,0,0,0,0|0,0,2]=4 785 B12R0.249 C=CCSC(C(=O)CC)C(=O)OC 62a_100000210623_100000056495 [0,2,0,0,0,0|0,0,2]=4 786 B12R0.249 CCC(=O)C(SCC#N)C(=O)OC 62a_100000056495_100011215382 [0,2,0,0,0,0|1,0,1]=4 787 B12R0.249 CCC(=O)C(SCC#N)C(=O)OC 62a_100011215382_100000056495 [0,2,0,0,0,0|1,0,1]=4 788 B12R0.249 CCC(=O)C(SCC=O)C(=O)OC 62a_100000056495_200015260668 [0,2,0,0,0,0|1,0,1]=4 789 B12R0.249 CCC(=O)C(SCC=O)C(=O)OC 62a_200015260668_100000056495 [0,2,0,0,0,0|1,0,1]=4 790 B12R0.249 CCC(=O)C(SCCF)C(=O)OC 62a_100000056495_100011217306 [0,2,0,0,0,0|1,0,0]=3 791 B12R0.249 CCC(=O)C(SCCF)C(=O)OC 62a_100011217306_100000056495 [0,2,0,0,0,0|1,0,0]=3 792 B12R0.249 CCC(=O)C(SCCO)C(=O)OC 62a_100000056495_100000211926 [0,2,0,0,0,0|1,0,0]=3 793 B12R0.249 CCC(=O)C(SCCO)C(=O)OC 62a_100000211926_100000056495 [0,2,0,0,0,0|1,0,0]=3 794 B12R0.249 CCC(=O)C(SCOC)C(=O)OC 62a_100000056495_100000766300 [0,2,0,0,0,0|1,0,0]=3 795 B12R0.249 CCC(=O)C(SCOC)C(=O)OC 62a_100000766300_100000056495 [0,2,0,0,0,0|1,0,0]=3 796 B12R0.249 CCC(=O)C(SCSC)C(=O)OC 62a_100000056495_100011218213 [0,2,0,0,0,0|1,0,0]=3 797 B12R0.249 CCC(=O)C(SCSC)C(=O)OC 62a_100011218213_100000056495 [0,2,0,0,0,0|1,0,0]=3 798 B12R0.249 CCCCC(C(=O)CC)C(=O)OC 1458a_100000210414_100000750740 [0,2,0,0,0,0|0,0,0]=2 799 B12R0.249 CCCCC(C(=O)CO)C(=O)OC 1458a_100000210174_100000750740 [0,2,0,0,0,0|1,0,0]=3 800 B12R0.249 CCCCC(C(=O)OC)N(C)CC 2230a_100000225621_100000750740 [0,2,0,0,0,0|2,0,0]=4 801 B12R0.249 CCCCC(C(=O)OC)N(C)CC 269982a_100000225621_100000750740 [0,2,0,0,0,0|2,0,0]=4 802 B12R0.249 CCCOC(C(=O)OC)C(=O)OC 34a_100000210258_100000037946 [0,2,0,0,0,0|1,0,0]=3 803 B12R0.249 CCCSC(C(=O)CC)C(=O)OC 62a_100000056495_100000210303 [0,2,0,0,0,0|0,0,0]=2 804 B12R0.249 CCCSC(C(=O)CC)C(=O)OC 62a_100000210303_100000056495 [0,2,0,0,0,0|0,0,0]=2 805 B12R0.249 CCCSC(C(=O)OC)C(=O)OC 62a_100000037946_100000210303 [0,2,0,0,0,0|1,0,0]=3 806 B12R0.249 CCCSC(C(=O)OC)C(=O)OC 62a_100000210303_100000037946 [0,2,0,0,0,0|1,0,0]=3 807 B12R0.249 CNCCC(C(=O)OC)C(=O)OC 2230a_106832991635_100055869314 [0,2,0,0,0,0|1,0,0]=3 808 B12R0.249 CNCCC(C(=O)OC)C(=O)OC 34a_100102657272_100055869314 [0,2,0,0,0,0|1,0,0]=3 809 B12R0.249 COC(=O)C(CCSC)C(=O)OC 62a_100055869314_200000210301 [0,2,0,0,0,0|1,0,0]=3 810 B12R0.249 COC(=O)C(CCSC)C(=O)OC 62a_200000210301_100055869314 [0,2,0,0,0,0|1,0,0]=3 811 B12R0.249 COC(=O)C(CCS[13CH3])C(=O)OC 62a_100055869314_200025704644 [0,2,0,0,0,0|1,0,0]=3 812 B12R0.249 COC(=O)C(CCS[13CH3])C(=O)OC 62a_200025704644_100055869314 [0,2,0,0,0,0|1,0,0]=3 813 B12R0.249 COC(=O)C(NCCF)C(=O)OC 34a_100000724931_100000037946 [0,2,0,0,0,0|2,0,0]=4 814 B12R0.249 COC(=O)C(NCCO)C(=O)OC 34a_100016990907_100000037946 [0,2,0,0,0,0|2,0,0]=4 815 B12R0.249 COC(=O)C(OCCBr)C(=O)OC 34a_100000211926_100000037946 [0,2,0,0,0,0|2,0,0]=4 816 B12R0.249 COC(=O)C(OCCN)C(=O)OC 34a_100000210304_100000037946 [0,2,0,0,0,0|2,0,0]=4 817 B12R0.249 COC(=O)C(SCCF)C(=O)OC 62a_100000037946_100011217306 [0,2,0,0,0,0|2,0,0]=4 818 B12R0.249 COC(=O)C(SCCF)C(=O)OC 62a_100011217306_100000037946 [0,2,0,0,0,0|2,0,0]=4 819 B12R0.249 COC(=O)C(SCCO)C(=O)OC 62a_100000037946_100000211926 [0,2,0,0,0,0|2,0,0]=4 820 B12R0.249 COC(=O)C(SCCO)C(=O)OC 62a_100000211926_100000037946 [0,2,0,0,0,0|2,0,0]=4 821 B12R0.249 COC(=O)C(SCSC)C(=O)OC 62a_100000037946_100011218213 [0,2,0,0,0,0|2,0,0]=4 822 B12R0.249 COC(=O)C(SCSC)C(=O)OC 62a_100011218213_100000037946 [0,2,0,0,0,0|2,0,0]=4 823 B12R0.249 COCCC(C(=O)OC)C(=O)OC 34a_100138415774_100055869314 [0,2,0,0,0,0|1,0,0]=3 824 B12R0.249 COCSC(C(=O)OC)C(=O)OC 62a_100000037946_100000766300 [0,2,0,0,0,0|2,0,0]=4 825 B12R0.249 COCSC(C(=O)OC)C(=O)OC 62a_100000766300_100000037946 [0,2,0,0,0,0|2,0,0]=4 826 B12R0.274 C#CC(=O)C(CCC)C(=O)OCC 1458a_100000211873_100000695697 [0,2,0,0,0,0|1,0,0]=3 827 B12R0.274 C#CCC(=O)C(CCC)C(=O)OC 1458a_100011220946_200009843822 [0,2,0,0,0,0|0,0,1]=3 828 B12R0.274 C#CCC(=O)C(COC)C(=O)OC 1458a_100011220946_100000717350 [0,2,0,0,0,0|1,0,1]=4 829 B12R0.274 C=CC(=O)C(CCC)C(=O)OCC 1458a_100000185746_100000695697 [0,2,0,0,0,0|1,0,0]=3 830 B12R0.274 C=CCC(=O)C(CCC)C(=O)OC 1458a_100000210193_200009843822 [0,2,0,0,0,0|0,0,1]=3 831 B12R0.274 C=CCC(=O)C(COC)C(=O)OC 1458a_100000210193_100000717350 [0,2,0,0,0,0|1,0,1]=4 832 B12R0.274 CC#CC(=O)C(CCC)C(=O)OC 1458a_100000763181_200009843822 [0,2,0,0,0,0|0,0,1]=3 833 B12R0.274 CC#CC(=O)C(COC)C(=O)OC 1458a_100000763181_100000717350 [0,2,0,0,0,0|1,0,1]=4 834 B12R0.274 CC=CC(=O)C(CCC)C(=O)OC 1458a_100000210699_200009843822 [0,2,0,0,0,0|0,0,1]=3 835 B12R0.274 CC=CC(=O)C(COC)C(=O)OC 1458a_100000210699_100000717350 [0,2,0,0,0,0|1,0,1]=4 836 B12R0.274 CCCC(=O)C(CCC)C(=O)OC 1458a_100000211992_200009843822 [0,2,0,0,0,0|0,0,0]=2 837 B12R0.274 CCCC(=O)C(COC)C(=O)OC 1458a_100000211992_100000717350 [0,2,0,0,0,0|1,0,0]=3 838 B12R0.274 CCCC(C(=O)C=CBr)C(=O)OC 1458a_100016273825_200009843822 [0,2,0,0,0,0|0,0,2]=4 839 B12R0.274 CCCC(C(=O)C=CCl)C(=O)OC 1458a_200016279998_200009843822 [0,2,0,0,0,0|0,0,2]=4 840 B12R0.274 CCCC(C(=O)C=CI)C(=O)OC 1458a_100016256311_200009843822 [0,2,0,0,0,0|0,0,2]=4 841 B12R0.274 CCCC(C(=O)CC#N)C(=O)OC 1458a_100051588842_200009843822 [0,2,0,0,0,0|0,0,1]=3 842 B12R0.274 CCCC(C(=O)CC)C(=O)OCC 1458a_100000210414_100000695697 [0,2,0,0,0,0|0,0,0]=2 843 B12R0.274 CCCC(C(=O)CCO)C(=O)OC 1458a_100011216618_200009843822 [0,2,0,0,0,0|0,0,0]=2 844 B12R0.274 CCCC(C(=O)CO)C(=O)OCC 1458a_100000210174_100000695697 [0,2,0,0,0,0|0,0,0]=2 845 B12R0.274 CCCC(C(=O)COC)C(=O)OC 1458a_100000210968_200009843822 [0,2,0,0,0,0|0,0,0]=2 846 B12R0.274 CCCC(C(=O)CSC)C(=O)OC 1458a_100000184570_200009843822 [0,2,0,0,0,0|0,0,0]=2 847 B12R0.274 CCCC(C(=O)OC)N(C)CCC 2230a_100000747261_200009843822 [0,2,0,0,0,0|2,0,0]=4 848 B12R0.274 CCCC(C(=O)OC)N(C)CCC 269982a_100000747261_200009843822 [0,2,0,0,0,0|2,0,0]=4 849 B12R0.274 CCCC(C(=O)OC)N(C)CCO 2230a_100000210263_200009843822 [0,2,0,0,0,0|2,0,0]=4 850 B12R0.274 CCCC(C(=O)OC)N(C)CCO 269982a_100000210263_200009843822 [0,2,0,0,0,0|2,0,0]=4 851 B12R0.274 CCCC(C(=O)OCC)N(C)CC 2230a_100000225621_100000695697 [0,2,0,0,0,0|2,0,0]=4 852 B12R0.274 CCCC(C(=O)OCC)N(C)CC 269982a_100000225621_100000695697 [0,2,0,0,0,0|2,0,0]=4 853 B12R0.274 CCOC(=O)C(SCC)C(=O)CC 62a_100000210202_100000687759 [0,2,0,0,0,0|1,0,0]=3 854 B12R0.274 CCOC(=O)C(SCC)C(=O)CC 62a_100000687759_100000210202 [0,2,0,0,0,0|1,0,0]=3 855 B12R0.274 CCOC(=O)C(SCF)C(=O)CC 62a_100000687759_100015361967 [0,2,0,0,0,0|2,0,0]=4 856 B12R0.274 CCOC(=O)C(SCF)C(=O)CC 62a_100015361967_100000687759 [0,2,0,0,0,0|2,0,0]=4 857 B12R0.274 COCC(=O)C(COC)C(=O)OC 1458a_100000210968_100000717350 [0,2,0,0,0,0|1,0,0]=3 858 B12R0.274 COCC(C(=O)CC#N)C(=O)OC 1458a_100051588842_100000717350 [0,2,0,0,0,0|1,0,1]=4 859 B12R0.274 COCC(C(=O)CCO)C(=O)OC 1458a_100011216618_100000717350 [0,2,0,0,0,0|1,0,0]=3 860 B12R0.274 COCC(C(=O)CSC)C(=O)OC 1458a_100000184570_100000717350 [0,2,0,0,0,0|1,0,0]=3 861 B12R0.408 CCCC(C(=O)OC)N(CC)CC 2230a_100000724800_200009843822 [0,2,0,0,0,0|2,0,0]=4 862 B12R0.408 CCCC(C(=O)OC)N(CC)CC 269982a_100000724800_200009843822 [0,2,0,0,0,0|2,0,0]=4 863 B12R0.187 CCC(C)C(C(=O)O)N(C)C(C)C 269956a_100000694001_100000210206 [0,2,0,0,0,0|2,0,0]=4 864 B12R0.253 C=C(C)C(=O)C(CCCC)C(=O)N 1458a_100000185857_100000748834 [0,2,0,0,0,0|1,0,1]=4 865 B12R0.253 CCCCC(C(=O)N)C(=O)C(C)C 1458a_100000210198_100000748834 [0,2,0,0,0,0|1,0,0]=3 866 B12R0.253 CCCCC(C(=O)N)C(=O)C(C)F 1458a_100000062450_100000748834 [0,2,0,0,0,0|1,0,0]=3 867 B12R0.253 CCCCC(C(=O)N)C(=O)C(O)O 1458a_100000233687_100000748834 [0,2,0,0,0,0|2,0,0]=4 868 B12R0.253 CCCCC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000748834 [0,2,0,0,0,0|1,0,0]=3 869 B12R0.253 CCCCC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000748834 [0,2,0,0,0,0|1,0,0]=3 870 B12R0.253 CCCSC(C(=O)C)C(=O)N(C)C 62a_100000210303_100000211001 [0,2,0,0,0,0|2,0,0]=4 871 B12R0.253 CCCSC(C(=O)C)C(=O)N(C)C 62a_100000211001_100000210303 [0,2,0,0,0,0|2,0,0]=4 872 B12R0.73 CCOC(=O)C(CC(C)C)C(=O)C 1458a_100000070787_100010269446 [0,2,0,0,0,0|1,0,0]=3 873 B12R0.73 CCOC(=O)C(NC(C)C)C(=O)C 34a_100138425928_100009831564 [0,2,0,0,0,0|2,0,0]=4 874 B12R0.73 CCOC(=O)C(OC(C)C)C(=O)C 34a_100000212225_100009831564 [0,2,0,0,0,0|2,0,0]=4 875 B12R0.73 CCOC(=O)C(SC(C)C)C(=O)C 62a_100000210206_100000211040 [0,2,0,0,0,0|2,0,0]=4 876 B12R0.73 CCOC(=O)C(SC(C)C)C(=O)C 62a_100000211040_100000210206 [0,2,0,0,0,0|2,0,0]=4 877 B12R0.81 CCC(C)C(C(=O)O)N(C)CCF 269956a_100000694001_100011217306 [0,2,0,0,0,0|2,0,0]=4 878 B12R0.81 CCC(C)C(C(=O)O)N(C)CCO 269956a_100000694001_100000211926 [0,2,0,0,0,0|2,0,0]=4 879 B12R0.81 CCC(C)C(C(=O)O)N(C)COC 269956a_100000694001_100000766300 [0,2,0,0,0,0|2,0,0]=4 880 B12R0.81 CCC(C)C(C(=O)O)N(C)CSC 269956a_100000694001_100011218213 [0,2,0,0,0,0|2,0,0]=4 881 B12R0.81 CCCN(C)C(C(=O)C)C(=O)NC 269982a_100000747261_100000210987 [0,2,0,0,0,0|2,0,0]=4 882 B12R0.81 CCCN(C)C(C(=O)O)C(C)CC 269956a_100000694001_100000210207 [0,2,0,0,0,0|1,0,1]=4 883 B12R0.81 CCOC(=O)C(C(=O)C)N(C)CC 269982a_100000225621_100009831564 [0,2,0,0,0,0|2,0,0]=4 884 B12R0.337 C#CCC(=O)C(CCCC)C(=O)N 1458a_100011220946_100000748834 [0,2,0,0,0,0|1,0,1]=4 885 B12R0.337 C=CCC(=O)C(CCCC)C(=O)N 1458a_100000210193_100000748834 [0,2,0,0,0,0|1,0,1]=4 886 B12R0.337 CC#CC(=O)C(CCCC)C(=O)N 1458a_100000763181_100000748834 [0,2,0,0,0,0|1,0,1]=4 887 B12R0.337 CC=CC(=O)C(CCCC)C(=O)N 1458a_100000210699_100000748834 [0,2,0,0,0,0|1,0,1]=4 888 B12R0.337 CCCCC(C(=O)C)C(=O)OCC 1458a_100000070787_200009813700 [0,2,0,0,0,0|1,0,0]=3 889 B12R0.337 CCCCC(C(=O)N)C(=O)CC#N 1458a_100051588842_100000748834 [0,2,0,0,0,0|1,0,1]=4 890 B12R0.337 CCCCC(C(=O)N)C(=O)CCC 1458a_100000211992_100000748834 [0,2,0,0,0,0|1,0,0]=3 891 B12R0.337 CCCCC(C(=O)N)C(=O)CCO 1458a_100011216618_100000748834 [0,2,0,0,0,0|1,0,0]=3 892 B12R0.337 CCCCC(C(=O)N)C(=O)COC 1458a_100000210968_100000748834 [0,2,0,0,0,0|1,0,0]=3 893 B12R0.337 CCCCC(C(=O)N)C(=O)CSC 1458a_100000184570_100000748834 [0,2,0,0,0,0|1,0,0]=3 894 B12R0.337 CCCOC(C(=O)C)C(=O)OCC 34a_100000210258_100009831564 [0,2,0,0,0,0|1,0,0]=3 895 B12R0.337 CCCSC(C(=O)C)C(=O)OCC 62a_100000210303_100000211040 [0,2,0,0,0,0|1,0,0]=3 896 B12R0.337 CCCSC(C(=O)C)C(=O)OCC 62a_100000211040_100000210303 [0,2,0,0,0,0|1,0,0]=3 897 B12R0.337 CCOC(=O)C(NCCF)C(=O)C 34a_100000724931_100009831564 [0,2,0,0,0,0|2,0,0]=4 898 B12R0.337 CCOC(=O)C(NCCO)C(=O)C 34a_100016990907_100009831564 [0,2,0,0,0,0|2,0,0]=4 899 B12R0.337 CCOC(=O)C(OCCBr)C(=O)C 34a_100000211926_100009831564 [0,2,0,0,0,0|2,0,0]=4 900 B12R0.337 CCOC(=O)C(OCCN)C(=O)C 34a_100000210304_100009831564 [0,2,0,0,0,0|2,0,0]=4 901 B12R0.337 CCOC(=O)C(SCCF)C(=O)C 62a_100000211040_100011217306 [0,2,0,0,0,0|2,0,0]=4 902 B12R0.337 CCOC(=O)C(SCCF)C(=O)C 62a_100011217306_100000211040 [0,2,0,0,0,0|2,0,0]=4 903 B12R0.337 CCOC(=O)C(SCCO)C(=O)C 62a_100000211040_100000211926 [0,2,0,0,0,0|2,0,0]=4 904 B12R0.337 CCOC(=O)C(SCCO)C(=O)C 62a_100000211926_100000211040 [0,2,0,0,0,0|2,0,0]=4 905 B12R0.337 CCOC(=O)C(SCOC)C(=O)C 62a_100000211040_100000766300 [0,2,0,0,0,0|2,0,0]=4 906 B12R0.337 CCOC(=O)C(SCOC)C(=O)C 62a_100000766300_100000211040 [0,2,0,0,0,0|2,0,0]=4 907 B12R0.337 CCOC(=O)C(SCSC)C(=O)C 62a_100000211040_100011218213 [0,2,0,0,0,0|2,0,0]=4 908 B12R0.337 CCOC(=O)C(SCSC)C(=O)C 62a_100011218213_100000211040 [0,2,0,0,0,0|2,0,0]=4 909 B12R0.127 CCCCNC(C(=O)C)C(=O)NC 7a_106832991798_100000210987 [0,2,0,0,0,0|2,0,0]=4 910 B12R0.127 CCCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210211 [0,2,0,0,0,0|1,0,1]=4 911 B12R0.127 CCCCOC(C(=O)C)C(=O)NC 7a_100000210227_100000210987 [0,2,0,0,0,0|2,0,0]=4 912 B12R0.127 CCCCSC(C(=O)C)C(=O)NC 62a_100000210211_100000210987 [0,2,0,0,0,0|2,0,0]=4 913 B12R0.127 CCCCSC(C(=O)C)C(=O)NC 62a_100000210987_100000210210 [0,2,0,0,0,0|2,0,0]=4 914 B12R0.127 CCCCSC(C(=O)C)C(=O)OC 62a_100000210211_100011215331 [0,2,0,0,0,0|2,0,0]=4 915 B12R0.127 CCCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000210210 [0,2,0,0,0,0|2,0,0]=4 916 B12R0.127 CCOCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000739092 [0,2,0,0,0,0|1,0,1]=4 917 B12R0.127 CCOCSC(C(=O)C)C(=O)NC 62a_100000210987_100000739092 [0,2,0,0,0,0|2,0,0]=4 918 B12R0.127 CCOCSC(C(=O)C)C(=O)NC 62a_100000739092_100000210987 [0,2,0,0,0,0|2,0,0]=4 919 B12R0.127 CCOCSC(C(=O)C)C(=O)OC 62a_100000739092_100011215331 [0,2,0,0,0,0|2,0,0]=4 920 B12R0.127 CCOCSC(C(=O)C)C(=O)OC 62a_100011215331_100000739092 [0,2,0,0,0,0|2,0,0]=4 921 B12R0.127 CC[C@H](C)[C@@H](NCCCF)C(=O)O 269956a_100009815163_100011934791 [0,2,0,0,0,0|1,0,1]=4 922 B12R0.127 CC[C@H](C)[C@@H](NCCCO)C(=O)O 269956a_100009815163_100011215043 [0,2,0,0,0,0|1,0,1]=4 923 B12R0.127 CC[C@H](C)[C@@H](NCCOC)C(=O)O 269956a_100009815163_100000233755 [0,2,0,0,0,0|1,0,1]=4 924 B12R0.127 CC[C@H](C)[C@@H](NCCSC)C(=O)O 269956a_100009815163_100000212216 [0,2,0,0,0,0|1,0,1]=4 925 B12R0.127 CNC(=O)C(OCCSC)C(=O)C 7a_100000230434_100000210987 [0,2,0,0,0,0|2,0,0]=4 926 B12R0.127 CNC(=O)C(SCCCF)C(=O)C 62a_100000210987_100011934791 [0,2,0,0,0,0|2,0,0]=4 927 B12R0.127 CNC(=O)C(SCCCF)C(=O)C 62a_100011934791_100000210987 [0,2,0,0,0,0|2,0,0]=4 928 B12R0.127 CNC(=O)C(SCCCO)C(=O)C 62a_100000210987_100011215043 [0,2,0,0,0,0|2,0,0]=4 929 B12R0.127 CNC(=O)C(SCCCO)C(=O)C 62a_100011215043_100000210987 [0,2,0,0,0,0|2,0,0]=4 930 B12R0.127 CNC(=O)C(SCCOC)C(=O)C 62a_100000210987_100000233755 [0,2,0,0,0,0|2,0,0]=4 931 B12R0.127 CNC(=O)C(SCCOC)C(=O)C 62a_100000233755_100000210987 [0,2,0,0,0,0|2,0,0]=4 932 B12R0.127 CNC(=O)C(SCCSC)C(=O)C 62a_100000210987_100000751147 [0,2,0,0,0,0|2,0,0]=4 933 B12R0.127 CNC(=O)C(SCCSC)C(=O)C 62a_100000212216_100000210987 [0,2,0,0,0,0|2,0,0]=4 934 B12R0.127 COC(=O)C(SCCCF)C(=O)C 62a_100011215331_100011934791 [0,2,0,0,0,0|2,0,0]=4 935 B12R0.127 COC(=O)C(SCCCF)C(=O)C 62a_100011934791_100011215331 [0,2,0,0,0,0|2,0,0]=4 936 B12R0.127 COC(=O)C(SCCCO)C(=O)C 62a_100011215043_100011215331 [0,2,0,0,0,0|2,0,0]=4 937 B12R0.127 COC(=O)C(SCCCO)C(=O)C 62a_100011215331_100011215043 [0,2,0,0,0,0|2,0,0]=4 938 B12R0.127 COC(=O)C(SCCSC)C(=O)C 62a_100000212216_100011215331 [0,2,0,0,0,0|2,0,0]=4 939 B12R0.127 COC(=O)C(SCCSC)C(=O)C 62a_100011215331_100000751147 [0,2,0,0,0,0|2,0,0]=4 940 B12R0.127 COCCSC(C(=O)C)C(=O)OC 62a_100000233755_100011215331 [0,2,0,0,0,0|2,0,0]=4 941 B12R0.127 COCCSC(C(=O)C)C(=O)OC 62a_100011215331_100000233755 [0,2,0,0,0,0|2,0,0]=4 942 B12R0.350 CC[C@H](C)[C@@H](NCC(C)C)C(=O)O 269956a_100009815163_100000210760 [0,2,0,0,0,0|1,0,1]=4 943 B12R0.350 CC[C@H](C)[C@@H](NCC(C)O)C(=O)O 269956a_100009815163_100011218427 [0,2,0,0,0,0|1,0,1]=4 944 B12R0.350 CC[C@H](C)[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100009815163_100009817552 [0,2,0,0,0,0|1,0,1]=4 945 B12R0.350 CNC(=O)C(SCC(C)C)C(=O)C 62a_100000210624_100000210987 [0,2,0,0,0,0|2,0,0]=4 946 B12R0.350 CNC(=O)C(SCC(C)C)C(=O)C 62a_100000210987_100000210760 [0,2,0,0,0,0|2,0,0]=4 947 B12R0.350 CNC(=O)C(SCC(C)O)C(=O)C 62a_100000210987_100011218427 [0,2,0,0,0,0|2,0,0]=4 948 B12R0.350 CNC(=O)C(SCC(C)O)C(=O)C 62a_100011218427_100000210987 [0,2,0,0,0,0|2,0,0]=4 949 B12R0.350 CNC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100000210987_100009817552 [0,2,0,0,0,0|2,0,0]=4 950 B12R0.350 CNC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100009817552_100000210987 [0,2,0,0,0,0|2,0,0]=4 951 B12R0.350 COC(=O)C(SCC(C)C)C(=O)C 62a_100000210624_100011215331 [0,2,0,0,0,0|2,0,0]=4 952 B12R0.350 COC(=O)C(SCC(C)C)C(=O)C 62a_100011215331_100000210760 [0,2,0,0,0,0|2,0,0]=4 953 B12R0.350 COC(=O)C(SCC(C)O)C(=O)C 62a_100011215331_100011218427 [0,2,0,0,0,0|2,0,0]=4 954 B12R0.350 COC(=O)C(SCC(C)O)C(=O)C 62a_100011218427_100011215331 [0,2,0,0,0,0|2,0,0]=4 955 B12R0.350 COC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100009817552_100011215331 [0,2,0,0,0,0|2,0,0]=4 956 B12R0.350 COC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100011215331_100009817552 [0,2,0,0,0,0|2,0,0]=4 957 B12R0.361 CCCOC(C)(C(=O)C)C(=O)OC 34a_100000042598_100000210303 [0,2,0,0,0,0|2,0,0]=4 958 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [1,0,0,1,0,0|1,0,1]=4 959 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [1,0,0,1,0,0|1,0,1]=4 960 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [1,0,0,1,0,0|1,0,1]=4 961 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [1,0,0,1,0,0|1,0,1]=4 962 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [1,0,0,1,0,0|0,0,1]=3 963 B10R1.15 CCC(=O)C1=COCCO1 1458a_100000008702_100000210202 [1,0,0,1,0,0|1,0,1]=4 964 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [1,0,0,1,0,0|1,0,0]=3 965 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,0,0,1,0,0|1,0,1]=4 966 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,0,0,1,0,0|1,0,1]=4 967 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [1,0,0,1,0,0|2,0,0]=4 968 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [1,0,0,1,0,0|0,0,1]=3 969 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [1,0,0,1,0,0|0,0,1]=3 970 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [1,0,0,1,0,0|1,0,1]=4 971 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [1,0,0,1,0,0|1,0,1]=4 972 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [1,0,0,1,0,0|1,0,1]=4 973 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [1,0,0,1,0,0|1,0,1]=4 974 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [1,0,0,1,0,0|1,0,1]=4 975 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [1,0,0,1,0,0|1,0,1]=4 976 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [1,0,0,1,0,0|1,0,1]=4 977 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [1,0,0,1,0,0|1,0,1]=4 978 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [1,0,0,1,0,0|1,0,1]=4 979 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [1,0,0,1,0,0|1,0,1]=4 980 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [1,0,0,1,0,0|1,0,1]=4 981 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [1,0,0,1,0,0|2,0,0]=4 982 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [1,0,0,1,0,0|1,0,1]=4 983 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|2,0,0]=4 984 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|2,0,0]=4 985 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|2,0,0]=4 986 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|2,0,0]=4 987 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|2,0,0]=4 988 B10R1.149 C#CC(=O)C1CCCC1=O 1458a_100000211873_100000211823 [1,0,0,1,0,0|0,0,2]=4 989 B10R1.149 C=CC(=O)C1CCCC1=O 1458a_100000185746_100000211823 [1,0,0,1,0,0|0,0,2]=4 990 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [1,0,0,1,0,0|0,0,0]=2 991 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|1,0,1]=4 992 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [1,0,0,1,0,0|1,0,0]=3 993 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [1,0,0,1,0,0|2,0,0]=4 994 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [1,0,0,1,0,0|2,0,0]=4 995 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [1,0,0,1,0,0|2,0,0]=4 996 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [1,0,0,1,0,0|1,0,0]=3 997 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [1,0,0,1,0,0|2,0,0]=4 998 B10R1.187 CCNC1C(=O)CCC1=O 2230a_100015525214_100009820769 [1,0,0,1,0,0|1,0,0]=3 999 B10R1.187 CCOC1C(=O)COC1=O 34a_100121572206_100000032967 [1,0,0,1,0,0|2,0,0]=4 1000 B10R1.187 CCSC1C(=O)CCC1=O 62a_100000210202_100009820769 [1,0,0,1,0,0|1,0,0]=3 1001 B10R1.187 CCSC1C(=O)CCC1=O 62a_100009820769_100000210202 [1,0,0,1,0,0|1,0,0]=3 1002 B10R1.187 CCSC1C(=O)COC1=O 62a_100000210202_100000032967 [1,0,0,1,0,0|2,0,0]=4 1003 B10R1.187 O=C1CCC(=O)C1SCF 62a_100009820769_100015361967 [1,0,0,1,0,0|2,0,0]=4 1004 B10R1.187 O=C1CCC(=O)C1SCF 62a_100015361967_100009820769 [1,0,0,1,0,0|2,0,0]=4 1005 B10R1.422 CCC(=O)C1(CCC1)C#N 1458a_100000752263_100000210202 [1,0,0,1,0,0|1,0,1]=4 1006 B10R1.422 CCC(=O)C1(CCC1)CC 1458a_100000685558_100000210202 [1,0,0,1,0,0|1,0,1]=4 1007 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [1,0,0,1,0,0|1,0,1]=4 1008 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|2,0,0]=4 1009 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|2,0,0]=4 1010 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,1,0,0|2,0,0]=4 1011 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|1,0,0]=3 1012 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [1,0,0,1,0,0|2,0,0]=4 1013 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [1,0,0,1,0,0|2,0,0]=4 1014 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,1,0,0|2,0,0]=4 1015 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [1,0,0,1,0,0|1,0,1]=4 1016 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [1,0,0,1,0,0|1,0,1]=4 1017 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [1,0,0,1,0,0|2,0,0]=4 1018 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [1,0,0,1,0,0|2,0,0]=4 1019 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [1,0,0,1,0,0|1,0,0]=3 1020 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [1,0,0,1,0,0|1,0,0]=3 1021 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [1,0,0,1,0,0|1,0,0]=3 1022 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [1,0,0,1,0,0|1,0,0]=3 1023 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|1,0,1]=4 1024 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|1,0,1]=4 1025 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|1,0,1]=4 1026 B10R1.381 CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210202 [1,0,0,1,0,0|1,0,0]=3 1027 B10R1.381 CNCC1(CCC1)C(=O)O 269956a_100000729485_200000210301 [1,0,0,1,0,0|1,0,1]=4 1028 B10R1.381 O=C(O)C1(CCC1)NCF 269956a_100000688724_100015361967 [1,0,0,1,0,0|2,0,0]=4 1029 B10R1.381 [13CH3]NCC1(CCC1)C(=O)O 269956a_100000729485_200025704644 [1,0,0,1,0,0|1,0,1]=4 1030 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,0,0,1,0,0|1,0,0]=3 1031 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [1,0,0,1,0,0|2,0,0]=4 1032 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [1,0,0,1,0,0|2,0,0]=4 1033 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [1,0,0,1,0,0|2,0,0]=4 1034 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|2,0,0]=4 1035 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [1,0,0,1,0,0|2,0,0]=4 1036 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|2,0,0]=4 1037 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [1,0,0,1,0,0|2,0,0]=4 1038 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [1,0,0,1,0,0|2,0,0]=4 1039 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [1,0,0,1,0,0|2,0,0]=4 1040 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [1,0,0,1,0,0|2,0,0]=4 1041 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [1,0,0,1,0,0|2,0,0]=4 1042 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [1,0,0,1,0,0|2,0,0]=4 1043 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [1,0,0,1,0,0|2,0,0]=4 1044 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [1,0,0,1,0,0|2,0,0]=4 1045 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [1,0,0,1,0,0|2,0,0]=4 1046 B10R1.425 CC(=O)C1(CC1)C(=O)CO 1458a_100000210174_100000086384 [1,0,0,1,0,0|2,0,0]=4 1047 B10R1.425 CCC(=O)C1(CC1)C(=O)C 1458a_100000210414_100000086384 [1,0,0,1,0,0|1,0,0]=3 1048 B10R1.425 CCC(=O)C1(CC1)C(=O)N 1458a_100000210414_100010760883 [1,0,0,1,0,0|1,0,0]=3 1049 B10R1.425 CCC(=O)C1(CC1)C(=O)N 1458a_100000751805_100000210202 [1,0,0,1,0,0|1,0,0]=3 1050 B10R1.425 CNC(=O)C1(CC1)C(=O)N 11a_106832991635_100000751805 [1,0,0,1,0,0|2,0,0]=4 1051 B10R1.425 CNC(=O)C1(CC1)C(=O)N 1626a_100102657272_100000751805 [1,0,0,1,0,0|2,0,0]=4 1052 B10R1.425 CNC(=O)C1(CC1)C(=O)N 240690a_100102657272_100000751805 [1,0,0,1,0,0|2,0,0]=4 1053 B10R1.425 CNC(=O)C1(CC1)C(=O)N 527a_100102657272_100000751805 [1,0,0,1,0,0|2,0,0]=4 1054 B10R1.425 COC(=O)C1(CC1)C(=O)C 1458a_100000062387_200000210301 [1,0,0,1,0,0|2,0,0]=4 1055 B10R1.425 COC(=O)C1(CC1)C(=O)C 1458a_100000070787_100000698272 [1,0,0,1,0,0|2,0,0]=4 1056 B10R1.425 COC(=O)C1(CC1)C(=O)[13CH3] 1458a_100000062387_200025704644 [1,0,0,1,0,0|2,0,0]=4 1057 B10R1.425 NC(=O)C1(CC1)C(=O)CF 1458a_100000751805_100015361967 [1,0,0,1,0,0|2,0,0]=4 1058 B10R1.425 NC(=O)C1(CC1)C(=O)CO 1458a_100000210174_100010760883 [1,0,0,1,0,0|2,0,0]=4 1059 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [1,0,0,1,0,0|0,0,0]=2 1060 B10R1.59 CC1CC(C(=O)O1)N(C)C 2230a_100102631434_200000216747 [1,0,0,1,0,0|2,0,0]=4 1061 B10R1.59 CC1CC(C(=O)O1)N(C)C 269982a_100102631434_200000216747 [1,0,0,1,0,0|2,0,0]=4 1062 B10R1.364 CC(=O)C1(CCC1)C(=O)N 1458a_100000751621_200000210301 [1,0,0,1,0,0|1,0,0]=3 1063 B10R1.364 [13CH3]C(=O)C1(CCC1)C(=O)N 1458a_100000751621_200025704644 [1,0,0,1,0,0|1,0,0]=3 1064 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [0,0,0,1,0,1|2,0,0]=4 1065 B12R1.210 CC(=O)NC1CCCCNC1=O 11a_100000698827_100015343762 [0,0,0,1,0,1|2,0,0]=4 1066 B12R1.210 CC(=O)NC1CCCCNC1=O 1626a_100000698827_100015343762 [0,0,0,1,0,1|2,0,0]=4 1067 B12R1.210 CC(=O)NC1CCCCNC1=O 240690a_100000698827_100015343762 [0,0,0,1,0,1|2,0,0]=4 1068 B12R1.210 CC(=O)NC1CCCCNC1=O 527a_100000698827_100103153847 [0,0,0,1,0,1|2,0,0]=4 1069 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [0,0,0,1,0,1|2,0,0]=4 1070 B12R1.358 CCC(=O)[C@@H]1C[C@H](NC(=S)N1)C 1458a_200015347995_100000210202 [0,0,0,1,0,1|1,1,0]=4 1071 B12R1.368 CC(=O)N1CCC[C@H]1C(=O)CF 1458a_100011416801_100015361967 [0,0,0,1,0,1|2,0,0]=4 1072 B12R1.368 CCC(=O)C1CCCN1C(=O)N 1458a_200000183025_100000210202 [0,0,0,1,0,1|1,0,0]=3 1073 B12R1.368 CCC(=O)N1CCCC1C(=O)C 1458a_200000194913_200000210301 [0,0,0,1,0,1|2,0,0]=4 1074 B12R1.368 CCC(=O)N1CCCC1C(=O)[13CH3] 1458a_200000194913_200025704644 [0,0,0,1,0,1|2,0,0]=4 1075 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000210414 [0,0,0,1,0,1|2,0,0]=4 1076 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000210414 [0,0,0,1,0,1|2,0,0]=4 1077 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000210414 [0,0,0,1,0,1|2,0,0]=4 1078 B12R1.368 CCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210202 [0,0,0,1,0,1|1,0,0]=3 1079 B12R1.368 CCC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_100000210202 [0,0,0,1,0,1|2,0,0]=4 1080 B12R1.368 CNC(=O)C1CCCN1C(=O)N 1626a_100102657272_200000183025 [0,0,0,1,0,1|2,0,0]=4 1081 B12R1.368 CNC(=O)C1CCCN1C(=O)N 240690a_100102657272_200000183025 [0,0,0,1,0,1|2,0,0]=4 1082 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 11a_100015185040_100015343762 [0,0,0,1,0,1|2,0,0]=4 1083 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 11a_106832991635_100011416801 [0,0,0,1,0,1|2,0,0]=4 1084 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 1626a_100015185040_100015343762 [0,0,0,1,0,1|2,0,0]=4 1085 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 1626a_100102657272_100011416801 [0,0,0,1,0,1|2,0,0]=4 1086 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 240690a_100015185040_100015343762 [0,0,0,1,0,1|2,0,0]=4 1087 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 240690a_100102657272_100011416801 [0,0,0,1,0,1|2,0,0]=4 1088 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 527a_100015185040_100103153847 [0,0,0,1,0,1|2,0,0]=4 1089 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 11a_100000752040_100015343762 [0,0,0,1,0,1|2,0,0]=4 1090 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 1626a_100000752040_100015343762 [0,0,0,1,0,1|2,0,0]=4 1091 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 240690a_100000752040_100015343762 [0,0,0,1,0,1|2,0,0]=4 1092 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 527a_100000752040_100103153847 [0,0,0,1,0,1|2,0,0]=4 1093 B12R1.368 NC(=O)N1CCCC1C(=O)CF 1458a_200000183025_100015361967 [0,0,0,1,0,1|2,0,0]=4 1094 B12R1.1657 CCC(=O)N1CCCNC(=O)C1 11a_100015190381_100000210414 [0,0,0,1,0,1|2,0,0]=4 1095 B12R1.1657 CCC(=O)N1CCCNC(=O)C1 1626a_100015190381_100000210414 [0,0,0,1,0,1|2,0,0]=4 1096 B12R1.1657 CCC(=O)N1CCCNC(=O)C1 240690a_100015190381_100000210414 [0,0,0,1,0,1|2,0,0]=4 1097 B12R1.1657 CCC(=O)N1CCCNC(=O)C1 527a_100015190381_100000210414 [0,0,0,1,0,1|2,0,0]=4 1098 B12R1.1707 CCC(=O)[C@@H]1CCCS(=O)(=O)C1 1458a_200009923180_100000210202 [0,0,0,1,0,1|1,0,1]=4 1099 B12R1.1726 COC(=O)C1(CCC1)NC(=O)C 188690a_100000691456_100015343762 [0,0,0,1,0,1|2,0,0]=4 1100 B12R1.3464 COC(=O)[C@@H](NC(=O)C)C1CC1 188690a_100016994651_100015343762 [0,0,0,1,0,1|2,0,0]=4 1101 B12R1.371 CCC(=O)NC1CCCNC1=O 11a_100000747585_100000210414 [0,0,0,1,0,1|1,0,0]=3 1102 B12R1.371 CCC(=O)NC1CCCNC1=O 1626a_100000747585_100000210414 [0,0,0,1,0,1|1,0,0]=3 1103 B12R1.371 CCC(=O)NC1CCCNC1=O 240690a_100000747585_100000210414 [0,0,0,1,0,1|1,0,0]=3 1104 B12R1.371 CCC(=O)NC1CCCNC1=O 527a_100000747585_100000210414 [0,0,0,1,0,1|1,0,0]=3 1105 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210414 [0,0,0,1,0,1|1,0,1]=4 1106 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210414 [0,0,0,1,0,1|1,0,1]=4 1107 B12R1.371 CNC(=O)NC1CCCNC1=O 2708a_100102657272_100000747585 [0,0,0,1,0,1|2,0,0]=4 1108 B12R1.371 CNC(=O)NC1CCCNC1=O 273464a_100000747585_100102657272 [0,0,0,1,0,1|2,0,0]=4 1109 B12R1.371 CNC(=O)NC1CCCNC1=O 273464a_100102657272_100000747585 [0,0,0,1,0,1|2,0,0]=4 1110 B12R1.371 CNC(=O)NC1CCCNC1=O 512a_100000747585_100102657272 [0,0,0,1,0,1|2,0,0]=4 1111 B12R1.371 CNC(=O)NC1CCCNC1=O 512a_106832991638_100000747585 [0,0,0,1,0,1|2,0,0]=4 1112 B12R1.371 O=C(CO)NC1CCCNC1=O 240690a_100000747585_100000210174 [0,0,0,1,0,1|2,0,0]=4 1113 B12R1.371 O=C(CO)NC1CCCNC1=O 527a_100000747585_100000210174 [0,0,0,1,0,1|2,0,0]=4 1114 B12R1.532 CCC(C)NC1CC(OC1=O)C 2230a_100000209981_200000216747 [0,0,0,1,0,1|1,0,1]=4 1115 B12R1.532 CCC(C)OC1CC(OC1=O)C 7a_100000210228_200000216747 [0,0,0,1,0,1|1,0,1]=4 1116 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_100000758301_200000216747 [0,0,0,1,0,1|1,0,1]=4 1117 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_200000216747_100000758301 [0,0,0,1,0,1|1,0,1]=4 1118 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100000210414 [0,0,0,1,0,1|1,0,1]=4 1119 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100000210414 [0,0,0,1,0,1|1,0,1]=4 1120 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100000210414 [0,0,0,1,0,1|1,0,1]=4 1121 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100000210414 [0,0,0,1,0,1|1,0,1]=4 1122 B12R1.1506 CCC[C@H](NC1CCC1)C(=O)O 269956a_100000750406_100000749161 [0,0,0,1,0,1|1,0,1]=4 1123 B12R1.2219 CCC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000758301 [0,0,0,1,0,1|1,0,1]=4 1124 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 1125 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,1,0,1,0,0|2,0,0]=4 1126 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 1127 B12R1.365 C#CC(=O)C1CCCCCC1=O 1458a_100000211873_100000243696 [0,1,0,1,0,0|1,0,0]=3 1128 B12R1.365 C#CC(=O)C1CCCCNC1=O 1458a_100000211873_100000735217 [0,1,0,1,0,0|2,0,0]=4 1129 B12R1.365 C=CC(=O)C1CCCCCC1=O 1458a_100000185746_100000243696 [0,1,0,1,0,0|1,0,0]=3 1130 B12R1.365 C=CC(=O)C1CCCCNC1=O 1458a_100000185746_100000735217 [0,1,0,1,0,0|2,0,0]=4 1131 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [0,1,0,1,0,0|1,0,0]=3 1132 B12R1.365 CCC(=O)C1CCCCNC1=O 1458a_100000210414_100000735217 [0,1,0,1,0,0|1,0,0]=3 1133 B12R1.365 O=C(CO)C1CCCCCC1=O 1458a_100000210174_100000243696 [0,1,0,1,0,0|0,0,0]=2 1134 B12R1.365 O=C(CO)C1CCCCNC1=O 1458a_100000210174_100000735217 [0,1,0,1,0,0|1,0,0]=3 1135 B12R1.1435 CCCC(C(=O)OC)N1CCC1 269982a_100000754969_200009843822 [0,1,0,1,0,0|2,0,0]=4 1136 B12R1.1692 C#CC(=O)C(C(=O)OC)C1CC1 1458a_100000211873_100016157471 [0,1,0,1,0,0|0,0,2]=4 1137 B12R1.1692 C=CC(=O)C(C(=O)OC)C1CC1 1458a_100000185746_100016157471 [0,1,0,1,0,0|0,0,2]=4 1138 B12R1.1692 CCC(=O)C(C(=O)OC)C1CC1 1458a_100000210414_100016157471 [0,1,0,1,0,0|0,0,0]=2 1139 B12R1.1692 CCN(C)C(C(=O)OC)C1CC1 2230a_100000225621_100016157471 [0,1,0,1,0,0|2,0,0]=4 1140 B12R1.1692 CCN(C)C(C(=O)OC)C1CC1 269982a_100000225621_100016157471 [0,1,0,1,0,0|2,0,0]=4 1141 B12R1.1692 COC(=O)C(C(=O)CO)C1CC1 1458a_100000210174_100016157471 [0,1,0,1,0,0|1,0,0]=3 1142 B12R1.1723 C#CC(=O)C1(CCC1)C(=O)OC 1458a_100000211873_100000694912 [0,1,0,1,0,0|0,0,2]=4 1143 B12R1.1723 C=CC(=O)C1(CCC1)C(=O)OC 1458a_100000185746_100000694912 [0,1,0,1,0,0|0,0,2]=4 1144 B12R1.1723 CCC(=O)C1(CCC1)C(=O)NC 1458a_200000752345_100000210202 [0,1,0,1,0,0|1,0,0]=3 1145 B12R1.1723 CCC(=O)C1(CCC1)C(=O)OC 1458a_100000210414_100000694912 [0,1,0,1,0,0|0,0,0]=2 1146 B12R1.1723 CNC(=O)C1(CCC1)C(=O)CF 1458a_200000752345_100015361967 [0,1,0,1,0,0|2,0,0]=4 1147 B12R1.1723 CNC(=O)C1(CCC1)C(=O)NC 11a_106832991635_200000752345 [0,1,0,1,0,0|2,0,0]=4 1148 B12R1.1723 CNC(=O)C1(CCC1)C(=O)NC 1626a_100102657272_200000752345 [0,1,0,1,0,0|2,0,0]=4 1149 B12R1.1723 CNC(=O)C1(CCC1)C(=O)NC 240690a_100102657272_200000752345 [0,1,0,1,0,0|2,0,0]=4 1150 B12R1.1723 CNC(=O)C1(CCC1)C(=O)NC 527a_100102657272_200000752345 [0,1,0,1,0,0|2,0,0]=4 1151 B12R1.1723 COC(=O)C1(CCC1)C(=O)CO 1458a_100000210174_100000694912 [0,1,0,1,0,0|1,0,0]=3 1152 B12R1.124 C=C(C)C(=O)C1CCCCC1=O 1458a_100000185857_100000204591 [0,1,0,1,0,0|1,0,1]=4 1153 B12R1.124 C=C(C)C(=O)C1CCCNC1=O 1458a_100000185857_100000687798 [0,1,0,1,0,0|1,0,1]=4 1154 B12R1.124 CC(C)C(=O)C1CCCCC1=O 1458a_100000210198_100000204591 [0,1,0,1,0,0|1,0,0]=3 1155 B12R1.124 CC(C)C(=O)C1CCCCC1O 1458a_100011803323_100000210206 [0,1,0,1,0,0|1,0,1]=4 1156 B12R1.124 CC(C)C(=O)C1CCCNC1=O 1458a_100000087122_100000210206 [0,1,0,1,0,0|1,0,0]=3 1157 B12R1.124 CC(C)C(=O)C1CCCNC1=O 1458a_100000210198_100000687798 [0,1,0,1,0,0|1,0,0]=3 1158 B12R1.124 CC(C)C(=O)C1COCCC1=O 1458a_100000210198_100012180262 [0,1,0,1,0,0|2,0,0]=4 1159 B12R1.124 CC(F)C(=O)C1CCCCC1=O 1458a_100000062450_100000204591 [0,1,0,1,0,0|1,0,0]=3 1160 B12R1.124 CC(F)C(=O)C1CCCNC1=O 1458a_100000062450_100000687798 [0,1,0,1,0,0|1,0,0]=3 1161 B12R1.124 CC(F)C(=O)C1COCCC1=O 1458a_100000062450_100012180262 [0,1,0,1,0,0|2,0,0]=4 1162 B12R1.124 CN(C)C(=O)C1CCCNC1=O 11a_100102631434_100000087122 [0,1,0,1,0,0|2,0,0]=4 1163 B12R1.124 CN(C)C(=O)C1CCCNC1=O 240690a_100102631434_100000087122 [0,1,0,1,0,0|2,0,0]=4 1164 B12R1.124 CN(C)C(=O)C1CCCNC1=O 527a_100102631434_100000087122 [0,1,0,1,0,0|2,0,0]=4 1165 B12R1.124 C[C@@H](O)C(=O)C1CCCCC1=O 1458a_100000717761_100000204591 [0,1,0,1,0,0|1,0,0]=3 1166 B12R1.124 C[C@@H](O)C(=O)C1CCCNC1=O 1458a_100000717761_100000687798 [0,1,0,1,0,0|1,0,0]=3 1167 B12R1.124 C[C@@H](O)C(=O)C1COCCC1=O 1458a_100000717761_100012180262 [0,1,0,1,0,0|2,0,0]=4 1168 B12R1.124 C[C@H](O)C(=O)C1CCCCC1=O 1458a_217856618621_100000204591 [0,1,0,1,0,0|1,0,0]=3 1169 B12R1.124 C[C@H](O)C(=O)C1CCCNC1=O 1458a_217856618621_100000687798 [0,1,0,1,0,0|1,0,0]=3 1170 B12R1.124 C[C@H](O)C(=O)C1COCCC1=O 1458a_217856618621_100012180262 [0,1,0,1,0,0|2,0,0]=4 1171 B12R1.124 O=C1CCCCC1C(=O)C(O)O 1458a_100000233687_100000204591 [0,1,0,1,0,0|2,0,0]=4 1172 B12R1.124 O=C1NCCCC1C(=O)C(O)O 1458a_100000233687_100000687798 [0,1,0,1,0,0|2,0,0]=4 1173 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [0,1,0,1,0,0|2,0,0]=4 1174 B12R1.864 C=C(C)C(=O)C1CC(OC1=O)C 1458a_100000185857_200000216747 [0,1,0,1,0,0|0,0,1]=3 1175 B12R1.864 CC1CC(C(=O)O1)C(=O)C(C)C 1458a_100000210198_200000216747 [0,1,0,1,0,0|0,0,0]=2 1176 B12R1.864 CC1CC(C(=O)O1)C(=O)C(C)F 1458a_100000062450_200000216747 [0,1,0,1,0,0|0,0,0]=2 1177 B12R1.864 CC1CC(C(=O)O1)C(=O)C(O)O 1458a_100000233687_200000216747 [0,1,0,1,0,0|1,0,0]=3 1178 B12R1.864 CC1CC(C(=O)O1)C(=O)[C@@H](C)O 1458a_100000717761_200000216747 [0,1,0,1,0,0|0,0,0]=2 1179 B12R1.864 CC1CC(C(=O)O1)C(=O)[C@H](C)O 1458a_217856618621_200000216747 [0,1,0,1,0,0|0,0,0]=2 1180 B12R1.864 CC1CC(C(=O)O1)N(C)C(C)C 269982a_200000211004_200000216747 [0,1,0,1,0,0|2,0,0]=4 1181 B12R1.2207 CC(C)C(=O)C1(CCC1)C(=O)N 1458a_100000751621_100000210206 [0,1,0,1,0,0|1,0,0]=3 1182 B12R1.2207 CN(C)C(=O)C1(CCC1)C(=O)N 11a_100102631434_100000751621 [0,1,0,1,0,0|2,0,0]=4 1183 B12R1.2207 CN(C)C(=O)C1(CCC1)C(=O)N 1626a_100102631434_100000751621 [0,1,0,1,0,0|2,0,0]=4 1184 B12R1.2207 CN(C)C(=O)C1(CCC1)C(=O)N 240690a_100102631434_100000751621 [0,1,0,1,0,0|2,0,0]=4 1185 B12R1.2207 CN(C)C(=O)C1(CCC1)C(=O)N 527a_100102631434_100000751621 [0,1,0,1,0,0|2,0,0]=4 1186 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,1,0,1,0,0|2,0,0]=4 1187 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,1,0,1,0,0|1,0,1]=4 1188 B12R1.283 COCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766300 [0,1,0,1,0,0|2,0,0]=4 1189 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218213 [0,1,0,1,0,0|2,0,0]=4 1190 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [0,1,0,1,0,0|2,0,0]=4 1191 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [0,1,0,1,0,0|2,0,0]=4 1192 B12R1.308 C#CCC(=O)C1CCCCC1=O 1458a_100011220946_100000204591 [0,1,0,1,0,0|1,0,1]=4 1193 B12R1.308 C#CCC(=O)C1CCCNC1=O 1458a_100000087122_100000184674 [0,1,0,1,0,0|1,0,1]=4 1194 B12R1.308 C#CCC(=O)C1CCCNC1=O 1458a_100011220946_100000687798 [0,1,0,1,0,0|1,0,1]=4 1195 B12R1.308 C=CCC(=O)C1CCCCC1=O 1458a_100000210193_100000204591 [0,1,0,1,0,0|1,0,1]=4 1196 B12R1.308 C=CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210623 [0,1,0,1,0,0|1,0,1]=4 1197 B12R1.308 C=CCC(=O)C1CCCNC1=O 1458a_100000210193_100000687798 [0,1,0,1,0,0|1,0,1]=4 1198 B12R1.308 CC#CC(=O)C1CCCCC1=O 1458a_100000763181_100000204591 [0,1,0,1,0,0|1,0,1]=4 1199 B12R1.308 CC#CC(=O)C1CCCNC1=O 1458a_100000763181_100000687798 [0,1,0,1,0,0|1,0,1]=4 1200 B12R1.308 CC=CC(=O)C1CCCCC1=O 1458a_100000210699_100000204591 [0,1,0,1,0,0|1,0,1]=4 1201 B12R1.308 CC=CC(=O)C1CCCNC1=O 1458a_100000210699_100000687798 [0,1,0,1,0,0|1,0,1]=4 1202 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,1,0,1,0,0|1,0,0]=3 1203 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,1,0,1,0,0|1,0,1]=4 1204 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210303 [0,1,0,1,0,0|1,0,0]=3 1205 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000211992_100000687798 [0,1,0,1,0,0|1,0,0]=3 1206 B12R1.308 CCCC(=O)C1COCCC1=O 1458a_100000211992_100012180262 [0,1,0,1,0,0|2,0,0]=4 1207 B12R1.308 CCNC(=O)C1CCCNC1=O 11a_100015525214_100000087122 [0,1,0,1,0,0|1,0,0]=3 1208 B12R1.308 CCNC(=O)C1CCCNC1=O 240690a_100015525214_100000087122 [0,1,0,1,0,0|1,0,0]=3 1209 B12R1.308 CCNC(=O)C1CCCNC1=O 527a_100015525214_100000087122 [0,1,0,1,0,0|1,0,0]=3 1210 B12R1.308 CNNC(=O)C1CCCNC1=O 22a_100016993582_100000087122 [0,1,0,1,0,0|2,0,0]=4 1211 B12R1.308 COCC(=O)C1CCCCC1=O 1458a_100000210968_100000204591 [0,1,0,1,0,0|1,0,0]=3 1212 B12R1.308 COCC(=O)C1CCCNC1=O 1458a_100000210968_100000687798 [0,1,0,1,0,0|1,0,0]=3 1213 B12R1.308 COCC(=O)C1COCCC1=O 1458a_100000210968_100012180262 [0,1,0,1,0,0|2,0,0]=4 1214 B12R1.308 CSCC(=O)C1CCCCC1=O 1458a_100000184570_100000204591 [0,1,0,1,0,0|1,0,0]=3 1215 B12R1.308 CSCC(=O)C1CCCNC1=O 1458a_100000184570_100000687798 [0,1,0,1,0,0|1,0,0]=3 1216 B12R1.308 CSCC(=O)C1COCCC1=O 1458a_100000184570_100012180262 [0,1,0,1,0,0|2,0,0]=4 1217 B12R1.308 N#CCC(=O)C1CCCCC1=O 1458a_100051588842_100000204591 [0,1,0,1,0,0|1,0,1]=4 1218 B12R1.308 N#CCC(=O)C1CCCNC1=O 1458a_100000087122_100011214920 [0,1,0,1,0,0|1,0,1]=4 1219 B12R1.308 N#CCC(=O)C1CCCNC1=O 1458a_100051588842_100000687798 [0,1,0,1,0,0|1,0,1]=4 1220 B12R1.308 O=C(CCF)C1CCCCC1O 1458a_100011803323_100011217306 [0,1,0,1,0,0|1,0,1]=4 1221 B12R1.308 O=C(CCF)C1CCCNC1=O 1458a_100000087122_100011217306 [0,1,0,1,0,0|1,0,0]=3 1222 B12R1.308 O=C(CCO)C1CCCCC1=O 1458a_100011216618_100000204591 [0,1,0,1,0,0|1,0,0]=3 1223 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,1,0,1,0,0|1,0,1]=4 1224 B12R1.308 O=C(CCO)C1CCCNC1=O 1458a_100000087122_100000211926 [0,1,0,1,0,0|1,0,0]=3 1225 B12R1.308 O=C(CCO)C1CCCNC1=O 1458a_100011216618_100000687798 [0,1,0,1,0,0|1,0,0]=3 1226 B12R1.308 O=C(CCO)C1COCCC1=O 1458a_100011216618_100012180262 [0,1,0,1,0,0|2,0,0]=4 1227 B12R1.313 C#CCC(=O)C1CC(OC1=O)C 1458a_100011220946_200000216747 [0,1,0,1,0,0|0,0,1]=3 1228 B12R1.313 C=CCC(=O)C1CC(OC1=O)C 1458a_100000210193_200000216747 [0,1,0,1,0,0|0,0,1]=3 1229 B12R1.313 CC#CC(=O)C1CC(OC1=O)C 1458a_100000763181_200000216747 [0,1,0,1,0,0|0,0,1]=3 1230 B12R1.313 CC1CC(C(=O)O1)C(=O)C=CBr 1458a_100016273825_200000216747 [0,1,0,1,0,0|0,0,2]=4 1231 B12R1.313 CC1CC(C(=O)O1)C(=O)C=CCl 1458a_200016279998_200000216747 [0,1,0,1,0,0|0,0,2]=4 1232 B12R1.313 CC1CC(C(=O)O1)C(=O)C=CI 1458a_100016256311_200000216747 [0,1,0,1,0,0|0,0,2]=4 1233 B12R1.313 CC1CC(C(=O)O1)C(=O)CC#N 1458a_100051588842_200000216747 [0,1,0,1,0,0|0,0,1]=3 1234 B12R1.313 CC1CC(C(=O)O1)C(=O)CCO 1458a_100011216618_200000216747 [0,1,0,1,0,0|0,0,0]=2 1235 B12R1.313 CC1CC(C(=O)O1)N(C)CCO 2230a_100000210263_200000216747 [0,1,0,1,0,0|2,0,0]=4 1236 B12R1.313 CC1CC(C(=O)O1)N(C)CCO 269982a_100000210263_200000216747 [0,1,0,1,0,0|2,0,0]=4 1237 B12R1.313 CC=CC(=O)C1CC(OC1=O)C 1458a_100000210699_200000216747 [0,1,0,1,0,0|0,0,1]=3 1238 B12R1.313 CCCC(=O)C1CC(OC1=O)C 1458a_100000211992_200000216747 [0,1,0,1,0,0|0,0,0]=2 1239 B12R1.313 CCCN(C)C1CC(OC1=O)C 2230a_100000747261_200000216747 [0,1,0,1,0,0|2,0,0]=4 1240 B12R1.313 CCCN(C)C1CC(OC1=O)C 269982a_100000747261_200000216747 [0,1,0,1,0,0|2,0,0]=4 1241 B12R1.313 COCC(=O)C1CC(OC1=O)C 1458a_100000210968_200000216747 [0,1,0,1,0,0|0,0,0]=2 1242 B12R1.313 CSCC(=O)C1CC(OC1=O)C 1458a_100000184570_200000216747 [0,1,0,1,0,0|0,0,0]=2 1243 B12R1.1577 CCOC(=O)C(C(=O)C)C1CC1 1458a_100000070787_100010073418 [0,1,0,1,0,0|1,0,0]=3 1244 B12R1.1599 C#CCC(=O)C1(CCC1)C(=O)N 1458a_100000751621_100000184674 [0,1,0,1,0,0|1,0,1]=4 1245 B12R1.1599 C=CCC(=O)C1(CCC1)C(=O)N 1458a_100000751621_100000210623 [0,1,0,1,0,0|1,0,1]=4 1246 B12R1.1599 CCCC(=O)C1(CCC1)C(=O)N 1458a_100000751621_100000210303 [0,1,0,1,0,0|1,0,0]=3 1247 B12R1.1599 CCNC(=O)C1(CCC1)C(=O)N 11a_100015525214_100000751621 [0,1,0,1,0,0|1,0,0]=3 1248 B12R1.1599 CCNC(=O)C1(CCC1)C(=O)N 240690a_100015525214_100000751621 [0,1,0,1,0,0|1,0,0]=3 1249 B12R1.1599 CCNC(=O)C1(CCC1)C(=O)N 527a_100015525214_100000751621 [0,1,0,1,0,0|1,0,0]=3 1250 B12R1.1599 CCOC(=O)C1(CCC1)C(=O)C 1458a_100000070456_200000210301 [0,1,0,1,0,0|1,0,0]=3 1251 B12R1.1599 CCOC(=O)C1(CCC1)C(=O)C 1458a_100000070787_100009814009 [0,1,0,1,0,0|1,0,0]=3 1252 B12R1.1599 CCOC(=O)C1(CCC1)C(=O)[13CH3] 1458a_100000070456_200025704644 [0,1,0,1,0,0|1,0,0]=3 1253 B12R1.1599 CNNC(=O)C1(CCC1)C(=O)N 22a_100016993582_100000751621 [0,1,0,1,0,0|2,0,0]=4 1254 B12R1.1599 N#CCC(=O)C1(CCC1)C(=O)N 1458a_100000751621_100011214920 [0,1,0,1,0,0|1,0,1]=4 1255 B12R1.1599 NC(=O)C1(CCC1)C(=O)CCF 1458a_100000751621_100011217306 [0,1,0,1,0,0|1,0,0]=3 1256 B12R1.1599 NC(=O)C1(CCC1)C(=O)CCO 1458a_100000751621_100000211926 [0,1,0,1,0,0|1,0,0]=3 1257 B12R1.2614 CCCC1(CCCN1C)C(=O)O 269956a_200015185366_200000210301 [0,1,0,1,0,0|2,0,0]=4 1258 B12R1.2614 CCCC1(CCCN1[13CH3])C(=O)O 269956a_200015185366_200025704644 [0,1,0,1,0,0|2,0,0]=4 1259 B12R1.2614 CCOC1(CCOC1=O)C(=O)C 34a_100121572206_100000088255 [0,1,0,1,0,0|2,0,0]=4 1260 B12R1.2614 CCSC1(CCOC1=O)C(=O)C 62a_100000088255_100000210202 [0,1,0,1,0,0|2,0,0]=4 1261 B12R1.2614 CCSC1(CCOC1=O)C(=O)C 62a_100000210202_100000088255 [0,1,0,1,0,0|2,0,0]=4 1262 B12R1.1009 CC(C)NC1C(=O)CCCC1=O 2230a_100138425928_100009814513 [0,1,0,1,0,0|2,0,0]=4 1263 B12R1.1009 CC(C)SC1C(=O)CCCC1=O 62a_100000210206_100009814513 [0,1,0,1,0,0|2,0,0]=4 1264 B12R1.1009 CC(C)SC1C(=O)CCCC1=O 62a_100009814513_100000210206 [0,1,0,1,0,0|2,0,0]=4 1265 B12R1.3432 CC[C@H](C)[C@@H](NC1CC1)C(=O)O 269956a_100009815163_100000211595 [0,1,0,1,0,0|1,0,1]=4 1266 B12R1.3432 CNC(=O)C(SC1CC1)C(=O)C 62a_100000210987_100000211595 [0,1,0,1,0,0|2,0,0]=4 1267 B12R1.3432 COC(=O)C(SC1CC1)C(=O)C 62a_100011215331_100000211595 [0,1,0,1,0,0|2,0,0]=4 1268 B12R1.1691 CNC(=O)C(C(=O)C)N1CCC1 269982a_100000754969_100000210987 [0,1,0,1,0,0|2,0,0]=4 1269 B12R1.3441 CCN(C)C1C(=O)CCCC1=O 2230a_100000225621_100009814513 [0,1,0,1,0,0|2,0,0]=4 1270 B12R1.3441 CCN(C)C1C(=O)CCCC1=O 269982a_100000225621_100009814513 [0,1,0,1,0,0|2,0,0]=4 1271 B12R1.87 CC1CCCC(N1CF)C(=O)O 269956a_100000704260_100015361967 [0,1,0,1,0,0|2,0,0]=4 1272 B12R1.87 CCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210202 [0,1,0,1,0,0|2,0,0]=4 1273 B12R1.247 CCN(CC)C1CC(OC1=O)C 2230a_100000724800_200000216747 [0,1,0,1,0,0|2,0,0]=4 1274 B12R1.247 CCN(CC)C1CC(OC1=O)C 269982a_100000724800_200000216747 [0,1,0,1,0,0|2,0,0]=4 1275 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,1,0,1,0,0|2,0,0]=4 1276 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [0,1,0,1,0,0|2,0,0]=4 1277 B12R1.57 CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210202 [0,1,0,1,0,0|2,0,0]=4 1278 B12R1.1631 CCCSC1C(=O)CCCC1=O 62a_100000210303_100009814513 [0,1,0,1,0,0|1,0,0]=3 1279 B12R1.1631 CCCSC1C(=O)CCCC1=O 62a_100009814513_100000210303 [0,1,0,1,0,0|1,0,0]=3 1280 B12R1.1631 COCSC1C(=O)CCCC1=O 62a_100000766300_100009814513 [0,1,0,1,0,0|2,0,0]=4 1281 B12R1.1631 COCSC1C(=O)CCCC1=O 62a_100009814513_100000766300 [0,1,0,1,0,0|2,0,0]=4 1282 B12R1.1631 CSCSC1C(=O)CCCC1=O 62a_100009814513_100011218213 [0,1,0,1,0,0|2,0,0]=4 1283 B12R1.1631 CSCSC1C(=O)CCCC1=O 62a_100011218213_100009814513 [0,1,0,1,0,0|2,0,0]=4 1284 B12R1.1631 O=C1CCCC(=O)C1NCCO 2230a_100016997473_100009814513 [0,1,0,1,0,0|2,0,0]=4 1285 B12R1.1631 O=C1CCCC(=O)C1SCCF 62a_100009814513_100011217306 [0,1,0,1,0,0|2,0,0]=4 1286 B12R1.1631 O=C1CCCC(=O)C1SCCF 62a_100011217306_100009814513 [0,1,0,1,0,0|2,0,0]=4 1287 B12R1.1631 O=C1CCCC(=O)C1SCCO 62a_100000211926_100009814513 [0,1,0,1,0,0|2,0,0]=4 1288 B12R1.1631 O=C1CCCC(=O)C1SCCO 62a_100009814513_100000211926 [0,1,0,1,0,0|2,0,0]=4 1289 B12R1.1703 CCC(=O)C1CCC(=O)NC1=O 1458a_100000210414_100000694648 [0,1,0,1,0,0|1,0,1]=4 1290 B12R1.1762 CCCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210207 [0,1,0,1,0,0|1,0,1]=4 1291 B12R1.3444 CCN(C)C1(CCCC1)C(=O)O 269956a_106744497834_100000210202 [0,1,0,1,0,0|2,0,0]=4 1292 B12R1.661 CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210202 [0,1,0,1,0,0|2,0,0]=4 1293 B12R1.1724 CCC(=O)C1(CCC1)S(=O)(=O)C 1458a_100000724041_100000210202 [0,1,0,1,0,0|1,0,1]=4 1294 B12R2.2030 CC(=O)C1C(=O)[C@H]2CC[C@@H]1C2 1458a_100000070787_200015607011 [0,0,0,2,0,0|1,0,0]=3 1295 B12R2.993 CC1CC(C(=O)O1)N2CCC2 269982a_100000754969_200000216747 [0,0,0,2,0,0|2,0,0]=4 1296 B10R0.29 CCC(=O)NC(CO)COC 240690a_100000724102_100000210414 [1,0,0,0,0,1|1,0,1]=4 1297 B10R0.29 CCC(=O)NC(CO)COC 527a_100000724102_100000210414 [1,0,0,0,0,1|1,0,1]=4 1298 B10R0.29 CCCC(CC)NC(=O)CC 11a_100000747048_100000210414 [1,0,0,0,0,1|1,0,1]=4 1299 B10R0.29 CCCC(CC)NC(=O)CC 1626a_100000747048_100000210414 [1,0,0,0,0,1|1,0,1]=4 1300 B10R0.29 CCCC(CC)NC(=O)CC 240690a_100000747048_100000210414 [1,0,0,0,0,1|1,0,1]=4 1301 B10R0.29 CCCC(CC)NC(=O)CC 527a_100000747048_100000210414 [1,0,0,0,0,1|1,0,1]=4 1302 B10R0.29 CCC[C@@H](CO)NC(=O)CC 240690a_100000732646_100000210414 [1,0,0,0,0,1|0,0,1]=3 1303 B10R0.29 CCC[C@@H](CO)NC(=O)CC 527a_100000732646_100000210414 [1,0,0,0,0,1|0,0,1]=3 1304 B10R0.29 CCC[C@@H](CO)NC(=O)CO 240690a_100000732646_100000210174 [1,0,0,0,0,1|1,0,1]=4 1305 B10R0.29 CCC[C@@H](CO)NC(=O)CO 527a_100000732646_100000210174 [1,0,0,0,0,1|1,0,1]=4 1306 B10R0.29 CCC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000732646 [1,0,0,0,0,1|1,0,1]=4 1307 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100000732646_100102657272 [1,0,0,0,0,1|1,0,1]=4 1308 B10R0.29 CCC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000732646 [1,0,0,0,0,1|1,0,1]=4 1309 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_100000732646_100102657272 [1,0,0,0,0,1|1,0,1]=4 1310 B10R0.29 CCC[C@@H](CO)NC(=O)NC 512a_106832991638_100000732646 [1,0,0,0,0,1|1,0,1]=4 1311 B10R0.79 CCCC(CCC)NC(=O)C 11a_100011207992_100015343762 [1,0,0,0,0,1|1,0,1]=4 1312 B10R0.79 CCCC(CCC)NC(=O)C 1626a_100011207992_100015343762 [1,0,0,0,0,1|1,0,1]=4 1313 B10R0.79 CCCC(CCC)NC(=O)C 240690a_100011207992_100015343762 [1,0,0,0,0,1|1,0,1]=4 1314 B10R0.79 CCCC(CCC)NC(=O)C 527a_100011207992_100103153847 [1,0,0,0,0,1|1,0,1]=4 1315 B10R0.53 CCC(=O)NC(CC)C(=O)N 11a_100000733705_100000210414 [1,0,0,0,0,1|1,0,0]=3 1316 B10R0.53 CCC(=O)NC(CC)C(=O)N 1626a_100000733705_100000210414 [1,0,0,0,0,1|1,0,0]=3 1317 B10R0.53 CCC(=O)NC(CC)C(=O)N 240690a_100000733705_100000210414 [1,0,0,0,0,1|1,0,0]=3 1318 B10R0.53 CCC(=O)NC(CC)C(=O)N 527a_100000733705_100000210414 [1,0,0,0,0,1|1,0,0]=3 1319 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 11a_100161114882_100000210414 [1,0,0,0,0,1|1,0,1]=4 1320 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 1626a_100161114882_100000210414 [1,0,0,0,0,1|1,0,1]=4 1321 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 240690a_100161114882_100000210414 [1,0,0,0,0,1|1,0,1]=4 1322 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 527a_100161114882_100000210414 [1,0,0,0,0,1|1,0,1]=4 1323 B10R0.53 CCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000210414 [1,0,0,0,0,1|2,0,0]=4 1324 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [1,0,0,0,0,1|1,0,1]=4 1325 B10R0.53 CCC(NC(=O)CO)C(=O)N 240690a_100000733705_100000210174 [1,0,0,0,0,1|2,0,0]=4 1326 B10R0.53 CCC(NC(=O)CO)C(=O)N 527a_100000733705_100000210174 [1,0,0,0,0,1|2,0,0]=4 1327 B10R0.53 CCC(NC(=O)NC)C(=O)N 2708a_100102657272_100000733705 [1,0,0,0,0,1|2,0,0]=4 1328 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100000733705_100102657272 [1,0,0,0,0,1|2,0,0]=4 1329 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100102657272_100000733705 [1,0,0,0,0,1|2,0,0]=4 1330 B10R0.53 CCC(NC(=O)NC)C(=O)N 512a_100000733705_100102657272 [1,0,0,0,0,1|2,0,0]=4 1331 B12R0.51 CCCC(NCC(=O)N)C(=O)NC 2230a_106256046333_100000747473 [0,0,0,0,0,2|2,0,0]=4 1332 B12R0.51 CCCC(NCC(=O)N)C(=O)NC 34a_106256046333_100000187820 [0,0,0,0,0,2|2,0,0]=4 1333 B12R0.51 CCCC(NCC(=O)N)C(=O)OC 2230a_100000711301_200009843822 [0,0,0,0,0,2|2,0,0]=4 1334 B12R0.51 CCCC(NCC(=O)[O-])C(=O)NC 34a_106256046333_100020667443 [0,0,0,0,0,2|1,0,1]=4 1335 B12R0.51 CCCC(OCC(=O)C)C(=O)OC 34a_100000211253_200009843822 [0,0,0,0,0,2|2,0,0]=4 1336 B12R0.51 CCCC(SCC(=O)N)C(=O)OC 62a_100000747473_200009843822 [0,0,0,0,0,2|2,0,0]=4 1337 B12R0.51 CCCC(SCC(=O)N)C(=O)OC 62a_200009843822_100000747473 [0,0,0,0,0,2|2,0,0]=4 1338 B12R0.51 CCCC(SCC(=O)[O-])C(=O)OC 62a_100020667443_200009843822 [0,0,0,0,0,2|1,0,1]=4 1339 B12R0.51 CCCC(SCC(=O)[O-])C(=O)OC 62a_200009843822_100020667443 [0,0,0,0,0,2|1,0,1]=4 1340 B12R0.399 CCC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000747405 [0,0,0,0,0,2|2,0,0]=4 1341 B12R0.403 CCC(=O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000747405 [0,0,0,0,0,2|1,0,0]=3 1342 B12R0.403 CCC(=O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000747405 [0,0,0,0,0,2|1,0,0]=3 1343 B12R0.403 CCC(=O)CN[C@H](COC)C(=O)O 269956a_100011998655_100000747405 [0,0,0,0,0,2|1,0,0]=3 1344 B12R0.403 CCCC(OCC(=O)CC)C(=O)N 7a_100011626294_100000747405 [0,0,0,0,0,2|1,0,0]=3 1345 B12R0.403 CCCC(OCC(=O)NC)C(=O)N 34a_100011626294_100000183359 [0,0,0,0,0,2|2,0,0]=4 1346 B12R0.403 CCCC(OCC(=O)NC)C(=O)N 7a_100011626294_100000183359 [0,0,0,0,0,2|2,0,0]=4 1347 B12R0.403 CCCC(OCC(=O)OC)C(=O)N 34a_100011626294_100000747449 [0,0,0,0,0,2|2,0,0]=4 1348 B12R0.403 CCCC(OCC(=O)OC)C(=O)N 7a_100011626294_100000747449 [0,0,0,0,0,2|2,0,0]=4 1349 B12R0.403 CCC[C@H](NCC(=O)CC)C(=O)O 269956a_100000750406_100000747405 [0,0,0,0,0,2|0,0,0]=2 1350 B12R0.403 CCC[C@H](NCC(=O)NC)C(=O)N 2230a_100000729256_100000183359 [0,0,0,0,0,2|2,0,0]=4 1351 B12R0.403 CCC[C@H](NCC(=O)NC)C(=O)N 34a_100000729256_100000183359 [0,0,0,0,0,2|2,0,0]=4 1352 B12R0.403 CCC[C@H](NCC(=O)NC)C(=O)O 269956a_100000750406_100000183359 [0,0,0,0,0,2|1,0,0]=3 1353 B12R0.403 CCC[C@H](NCC(=O)OC)C(=O)N 2230a_100000729256_100000747449 [0,0,0,0,0,2|2,0,0]=4 1354 B12R0.403 CCC[C@H](NCC(=O)OC)C(=O)N 34a_100000729256_100000747449 [0,0,0,0,0,2|2,0,0]=4 1355 B12R0.403 CCC[C@H](NCC(=O)OC)C(=O)O 269956a_100000750406_100000747449 [0,0,0,0,0,2|1,0,0]=3 1356 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)O 269956a_100000750406_100000748023 [0,0,0,0,0,2|1,0,1]=4 1357 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)O 269956a_100000750406_100011218378 [0,0,0,0,0,2|0,0,2]=4 1358 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)O 269956a_100000750406_100009816398 [0,0,0,0,0,2|1,0,1]=4 1359 B12R0.403 CNC(=O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000183359 [0,0,0,0,0,2|2,0,0]=4 1360 B12R0.403 CNC(=O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000183359 [0,0,0,0,0,2|2,0,0]=4 1361 B12R0.403 CNC(=O)CN[C@H](COC)C(=O)O 269956a_100011998655_100000183359 [0,0,0,0,0,2|2,0,0]=4 1362 B12R0.403 COC(=O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000747449 [0,0,0,0,0,2|2,0,0]=4 1363 B12R0.403 COC(=O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000747449 [0,0,0,0,0,2|2,0,0]=4 1364 B12R0.403 COC[C@@H](NCC(=O)OC)C(=O)O 269956a_100011998655_100000747449 [0,0,0,0,0,2|2,0,0]=4