0 B11R1.15 C=CCC(C)c1nc(no1)C 270196a_100000212224_100011216819 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.15 CCNC(C)c1ccc(o1)C 269862a_100015525214_100000204583 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.15 CCNC(C)c1ccc(s1)C 269862a_100015525214_100000195387 [0,0,0,0,0,0|2,1,1]=4 3 B11R1.15 CNCC(C)c1nc(cs1)C 2230a_100000701280_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.15 Cc1csc(n1)C(C)CN[13CH3] 2230a_100000701280_200025704644 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.14 CNC(C)c1ccc(o1)C 269862a_106832991636_100000204583 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [1,0,0,0,0,0|1,1,1]=4 14 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [1,0,0,0,0,0|2,1,0]=4 15 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [1,0,0,0,0,0|2,1,0]=4 16 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [1,0,0,0,0,0|1,1,1]=4 17 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.16 Cc1c[nH]c(n1)SCC=O 62a_100161115468_200015260668 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.16 Cc1c[nH]c(n1)SCC=O 62a_200015260668_100161115468 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.16 Cc1cc(cs1)SCC=O 62a_100000759034_200015260668 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.16 Cc1cc(cs1)SCC=O 62a_200015260668_100000759034 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.16 Cc1ccc(s1)SCC=O 62a_100000031368_200015260668 [1,0,0,0,0,0|1,1,0]=3 38 B10R1.16 Cc1ccc(s1)SCC=O 62a_200015260668_100000031368 [1,0,0,0,0,0|1,1,0]=3 39 B10R1.16 Cc1cnc(s1)SCC=O 62a_100000690809_200015260668 [1,0,0,0,0,0|2,1,0]=4 40 B10R1.16 Cc1cnc(s1)SCC=O 62a_200015260668_100000690809 [1,0,0,0,0,0|2,1,0]=4 41 B10R1.16 Cc1csc(c1)SCC=O 62a_100009876951_200015260668 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.16 Cc1csc(c1)SCC=O 62a_200015260668_100009876951 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.16 Cc1csc(n1)SCC=O 62a_100011291629_200015260668 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.16 Cc1csc(n1)SCC=O 62a_200015260668_100011291629 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_100009814057_200015260668 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_200015260668_100009814057 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.16 Cc1nc(cs1)SCC=O 62a_100011934587_200015260668 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.16 Cc1nc(cs1)SCC=O 62a_200015260668_100011934587 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.16 Cc1ncc(s1)SCC=O 62a_100000764884_200015260668 [1,0,0,0,0,0|2,1,0]=4 50 B10R1.16 Cc1ncc(s1)SCC=O 62a_200015260668_100000764884 [1,0,0,0,0,0|2,1,0]=4 51 B10R1.16 Cc1nnc(o1)SCC=O 62a_200015260668_100000708914 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.16 Cn1ccc(n1)OCC=O 34a_100012642153_200009817547 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.16 Cn1ccc(n1)SCC=O 62a_100000752436_200015260668 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.16 Cn1ccc(n1)SCC=O 62a_200015260668_100000752436 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.16 O=CCSc1ccc(s1)Br 62a_100010197418_200015260668 [1,0,0,0,0,0|2,1,0]=4 56 B10R1.16 O=CCSc1ccc(s1)Br 62a_200015260668_100010197418 [1,0,0,0,0,0|2,1,0]=4 57 B12R1.2 CCCC(NC)c1ccc(s1)C 269862a_106832991636_200011267947 [0,1,0,0,0,0|1,1,1]=4 58 B12R1.2 CCNC(CC)c1ccc(o1)C 269862a_100015525214_100011218535 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.2 CCN[C@@H](CC)c1ccc(o1)C 2230a_100012022952_100000210202 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.2 CCN[C@@H](CC)c1ccc(o1)C 34a_100012022952_100000210202 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.2 CC[C@H](NCF)c1ccc(o1)C 34a_100012022952_100015361967 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.29 C=CCNC(C)c1ccc(s1)Br 2230a_100102723530_100000210623 [0,1,0,0,0,0|2,1,0]=4 63 B12R1.29 C=CCNC(C)c1ccc(s1)Cl 2230a_100102723459_100000210623 [0,1,0,0,0,0|2,1,0]=4 64 B12R1.29 C=CCNC(C)c1csc(n1)C 2230a_100000753491_100000210623 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.29 C=CCNC(C)c1nc(c[nH]1)C 2230a_103496583476_100000210623 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.29 C=CCNC(C)c1nc(co1)C 270004a_100020586998_100009826828 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.29 C=CCNC(C)c1nc(cs1)C 2230a_100015185622_100000210623 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.29 C=CCOC(C)c1ccn(n1)C 34a_100012178569_100015514636 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.29 CC(NCC=O)c1cc(cs1)Br 2230a_100159270200_200015260668 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.29 CC(NCC=O)c1cc(cs1)Br 34a_100159270200_200009817547 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.29 CC(NCC=O)c1ccc(s1)Br 2230a_100102723530_200015260668 [0,1,0,0,0,0|1,1,0]=3 72 B12R1.29 CC(NCC=O)c1ccc(s1)Cl 2230a_100102723459_200015260668 [0,1,0,0,0,0|1,1,0]=3 73 B12R1.29 CC(NCC=O)c1cnn(c1)C 2230a_100000759715_200015260668 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.29 CC(NCC=O)c1cnn(c1)C 34a_100000759715_200009817547 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.29 CC(OCC=O)c1ccn(n1)C 34a_100012178569_200009817547 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.29 CC(OCC=O)c1cnn(c1)C 34a_100000756024_200009817547 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.29 CCCNC(C)c1ccc(o1)C 269862a_100020643023_100000204583 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.29 CCCNC(C)c1ccc(s1)C 269862a_100020643023_100000195387 [0,1,0,0,0,0|1,1,1]=4 79 B12R1.29 CNCCC(C)c1ccc(o1)C 270004a_106832991635_200000043041 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.29 Cc1c[nH]c(n1)C(C)NCC=O 2230a_103496583476_200015260668 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.29 Cc1ccc(o1)C(C)NCCF 269862a_100000724931_100000204583 [0,1,0,0,0,0|1,0,1]=3 82 B12R1.29 Cc1ccc(o1)C(C)NCCO 269862a_100000210304_100000204583 [0,1,0,0,0,0|0,0,2]=3 83 B12R1.29 Cc1ccc(s1)C(C)NCCF 269862a_100000724931_100000195387 [0,1,0,0,0,0|1,1,1]=4 84 B12R1.29 Cc1ccc(s1)C(C)NCCO 269862a_100000210304_100000195387 [0,1,0,0,0,0|0,1,2]=4 85 B12R1.29 Cc1csc(n1)C(C)NCC=O 2230a_100015185622_200015260668 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.29 Cc1nc(cs1)C(C)NCC=O 2230a_100000753491_200015260668 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.29 Cc1nnc([nH]1)C(C)NCC=O 2230a_100000729279_200015260668 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.103 CC(=O)CC(=O)c1ccc(s1)C 1458a_100000070787_100011262362 [0,1,0,0,0,0|1,1,1]=4 89 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 11a_100102723530_100015343762 [0,1,0,0,0,0|2,1,0]=4 90 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 1626a_100102723530_100015343762 [0,1,0,0,0,0|2,1,0]=4 91 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 240690a_100102723530_100015343762 [0,1,0,0,0,0|2,1,0]=4 92 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 527a_100102723530_100103153847 [0,1,0,0,0,0|2,1,0]=4 93 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 11a_100102723459_100015343762 [0,1,0,0,0,0|2,1,0]=4 94 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 1626a_100102723459_100015343762 [0,1,0,0,0,0|2,1,0]=4 95 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 527a_100102723459_100103153847 [0,1,0,0,0,0|2,1,0]=4 96 B12R1.103 CC(=O)NC(C)c1csc(n1)C 11a_100000753491_100015343762 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.103 CC(=O)NC(C)c1csc(n1)C 1626a_100000753491_100015343762 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.103 CC(=O)NC(C)c1csc(n1)C 527a_100000753491_100103153847 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.103 CC(=O)NC(C)c1nc(c[nH]1)C 11a_103496583476_100015343762 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.103 CC(=O)NC(C)c1nc(c[nH]1)C 240690a_103496583476_100015343762 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.103 CC(=O)NC(C)c1nc(c[nH]1)C 527a_103496583476_100103153847 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.103 CC(=O)NC(C)c1nc(cs1)C 11a_100015185622_100015343762 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.103 CC(=O)NC(C)c1nc(cs1)C 1626a_100015185622_100015343762 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.103 CC(=O)NC(C)c1nc(cs1)C 240690a_100015185622_100015343762 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.103 CC(=O)NC(C)c1nc(cs1)C 527a_100015185622_100103153847 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.103 Cc1nnc(o1)N(C)CC(=O)N 27a_100000739694_100000708914 [0,1,0,0,0,0|3,0,0]=4 107 B10R0.19 C=CCC(C)C(=O)C/C=C/C 1458a_100011216819_100102629194 [0,0,1,0,0,0|1,0,2]=4 108 B10R0.19 C=CCC(C)C(=O)CC=CC 1458a_100011216819_100000070051 [0,0,1,0,0,0|1,0,2]=4 109 B10R0.32 C=CCC(C)C(=O)CC(=C)C 1458a_100011216819_100000748629 [0,0,1,0,0,0|3,0,0]=4 110 B12R2.76 Cc1nc(no1)C2CC(=O)C2 270196a_100000077199_100000070787 [0,0,0,1,0,0|3,0,0]=4 111 B12R1.16 C=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210623 [0,0,0,0,0,1|3,0,0]=4 112 B12R1.16 C=CCN(C)c1ccc(cc1)C 269982a_100000219977_100000210623 [0,0,0,0,0,1|3,0,0]=4 113 B12R1.16 C=CCN(C)c1ccc(cc1)C 34a_100000219977_100015514636 [0,0,0,0,0,1|3,0,0]=4 114 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,0,0,0,0,1|3,0,0]=4 115 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,0,0,0,0,1|3,0,0]=4 116 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,0,0,0,0,1|3,0,0]=4 117 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,0,0,0,0,1|3,0,0]=4 118 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,0,0,0,0,1|3,0,0]=4 119 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,0,0,0,0,1|3,0,0]=4 120 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,0,0,0,0,1|3,0,0]=4 121 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,0,0,0,0,1|3,0,0]=4 122 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,0,0,0,0,1|3,0,0]=4 123 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,0,0,0,0,1|3,0,0]=4 124 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,0,0,0,0,1|3,0,0]=4 125 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,0,0,0,0,1|3,0,0]=4 126 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,0,0,0,0,1|3,0,0]=4 127 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,0,0,0,0,1|3,0,0]=4 128 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,0,0,0,0,1|2,0,0]=3 129 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,0,0,0,0,1|2,0,0]=3 130 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,0,0,0,0,1|2,0,0]=3 131 B12R1.17 C=CCN(C)c1cccc(c1)C 2230a_100000219674_100000210623 [0,0,0,0,0,1|3,0,0]=4 132 B12R1.17 C=CCN(C)c1cccc(c1)C 269982a_100000219674_100000210623 [0,0,0,0,0,1|3,0,0]=4 133 B12R1.17 C=CCN(C)c1cccc(c1)C 34a_100000219674_100015514636 [0,0,0,0,0,1|3,0,0]=4 134 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,0,0,0,0,1|3,0,0]=4 135 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,0,0,0,0,1|3,0,0]=4 136 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,0,0,0,0,1|3,0,0]=4 137 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,0,0,0,0,1|3,0,0]=4 138 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,0,0,0,0,1|3,0,0]=4 139 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,0,0,0,0,1|3,0,0]=4 140 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,0,0,0,0,1|3,0,0]=4 141 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,0,0,0,0,1|3,0,0]=4 142 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,0,0,0,0,1|3,0,0]=4 143 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,0,0,0,0,1|3,0,0]=4 144 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,0,0,0,0,1|3,0,0]=4 145 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,0,0,0,0,1|3,0,0]=4 146 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,0,0,0,0,1|3,0,0]=4 147 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,0,0,0,0,1|3,0,0]=4 148 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,0,0,0,0,1|3,0,0]=4 149 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,0,0,0,0,1|2,0,0]=3 150 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,0,0,0,0,1|2,0,0]=3 151 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,0,0,0,0,1|2,0,0]=3 152 B12R1.31 C#CCN(C)Cc1ccc(o1)C 2230a_100000184526_100000038162 [0,0,0,0,0,1|2,0,1]=4 153 B12R1.31 C#CCN(C)Cc1ccc(o1)C 270004a_100000225692_100000183696 [0,0,0,0,0,1|2,0,1]=4 154 B12R1.31 C#CCN(C)Cc1ccc(o1)C 34a_100000184526_100000184674 [0,0,0,0,0,1|2,0,1]=4 155 B12R1.31 C=CCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210623 [0,0,0,0,0,1|3,0,0]=4 156 B12R1.31 C=CCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000210623 [0,0,0,0,0,1|3,0,0]=4 157 B12R1.31 C=CCN(C)Cc1ccc(o1)Br 270004a_100000225617_100000185145 [0,0,0,0,0,1|3,0,0]=4 158 B12R1.31 C=CCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210623 [0,0,0,0,0,1|2,0,0]=3 159 B12R1.31 C=CCN(C)Cc1ccc(o1)C 269982a_100000184526_100000210623 [0,0,0,0,0,1|2,0,0]=3 160 B12R1.31 C=CCN(C)Cc1ccc(o1)C 270004a_100000225617_100000183696 [0,0,0,0,0,1|2,0,0]=3 161 B12R1.31 C=CCN(C)Cc1ccc(o1)C 34a_100000184526_100015514636 [0,0,0,0,0,1|2,0,0]=3 162 B12R1.31 C=CCN(C)Cc1ccc(o1)Cl 270004a_100000225617_100000188459 [0,0,0,0,0,1|3,0,0]=4 163 B12R1.31 C=CCN(C)Cc1ccc(s1)C 2230a_100000751125_100000210623 [0,0,0,0,0,1|2,1,0]=4 164 B12R1.31 C=CCN(C)Cc1ccc(s1)C 2230a_200015185266_200000210301 [0,0,0,0,0,1|2,1,0]=4 165 B12R1.31 C=CCN(C)Cc1ccc(s1)C 269982a_100000751125_100000210623 [0,0,0,0,0,1|2,1,0]=4 166 B12R1.31 C=CCN(C)Cc1ccc(s1)C 269982a_200015185266_200000210301 [0,0,0,0,0,1|2,1,0]=4 167 B12R1.31 C=CCN(C)Cc1ccc(s1)C 270004a_100000225617_100000211121 [0,0,0,0,0,1|2,1,0]=4 168 B12R1.31 C=CCN(C)Cc1cnc(o1)C 270004a_100000225617_100000084308 [0,0,0,0,0,1|3,0,0]=4 169 B12R1.31 C=CCN([13CH3])Cc1ccc(s1)C 2230a_200015185266_200025704644 [0,0,0,0,0,1|2,1,0]=4 170 B12R1.31 C=CCN([13CH3])Cc1ccc(s1)C 269982a_200015185266_200025704644 [0,0,0,0,0,1|2,1,0]=4 171 B12R1.31 CCCC(C)Sc1ccc(s1)C 62a_100000031368_100000766640 [0,0,0,0,0,1|1,1,1]=4 172 B12R1.31 CCCC(C)Sc1ccc(s1)C 62a_100000766640_100000031368 [0,0,0,0,0,1|1,1,1]=4 173 B12R1.31 CCCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210303 [0,0,0,0,0,1|2,0,1]=4 174 B12R1.31 CCCN(C)Cc1ccc(o1)C 269982a_100000184526_100000210303 [0,0,0,0,0,1|2,0,1]=4 175 B12R1.31 CCCN(C)Cc1ccc(o1)C 270004a_100000747261_100000183696 [0,0,0,0,0,1|2,0,1]=4 176 B12R1.31 CCCN(C)Cc1ccc(o1)C 34a_100000184526_100000210303 [0,0,0,0,0,1|2,0,1]=4 177 B12R1.31 CN(CC=O)Cc1ccc(o1)Br 2230a_100000207588_200015260668 [0,0,0,0,0,1|2,0,0]=3 178 B12R1.31 CN(CC=O)Cc1ccc(o1)Br 269982a_100000207588_200015260668 [0,0,0,0,0,1|2,0,0]=3 179 B12R1.31 COCC(C)Sc1ccc(s1)C 62a_100000031368_100000765312 [0,0,0,0,0,1|2,1,0]=4 180 B12R1.31 COCC(C)Sc1ccc(s1)C 62a_100000765312_100000031368 [0,0,0,0,0,1|2,1,0]=4 181 B12R1.31 COCN(C)Cc1ccc(o1)C 2230a_100000184526_100000766300 [0,0,0,0,0,1|3,0,0]=4 182 B12R1.31 COCN(C)Cc1ccc(o1)C 269982a_100000184526_100000766300 [0,0,0,0,0,1|3,0,0]=4 183 B12R1.31 CSCN(C)Cc1ccc(o1)C 2230a_100000184526_100011218213 [0,0,0,0,0,1|3,0,0]=4 184 B12R1.31 CSCN(C)Cc1ccc(o1)C 269982a_100000184526_100011218213 [0,0,0,0,0,1|3,0,0]=4 185 B12R1.31 CSCN(C)Cc1ccc(o1)C 34a_100000184526_100011218213 [0,0,0,0,0,1|3,0,0]=4 186 B12R1.31 Cc1c[nH]c(n1)CN(C)CC=O 2230a_100015186541_200015260668 [0,0,0,0,0,1|3,0,0]=4 187 B12R1.31 Cc1ccc(o1)CN(C)CC#N 2230a_100000184526_100011215382 [0,0,0,0,0,1|2,0,1]=4 188 B12R1.31 Cc1ccc(o1)CN(C)CC#N 269982a_100000184526_100011214920 [0,0,0,0,0,1|2,0,1]=4 189 B12R1.31 Cc1ccc(o1)CN(C)CC=O 2230a_100000184526_200015260668 [0,0,0,0,0,1|1,0,0]=2 190 B12R1.31 Cc1ccc(o1)CN(C)CC=O 269982a_100000184526_200015260668 [0,0,0,0,0,1|1,0,0]=2 191 B12R1.31 Cc1ccc(o1)CN(C)CC=O 34a_100000184526_200009817547 [0,0,0,0,0,1|1,0,0]=2 192 B12R1.31 Cc1ccc(o1)CN(C)CCF 2230a_100000184526_100011217306 [0,0,0,0,0,1|2,0,1]=4 193 B12R1.31 Cc1ccc(o1)CN(C)CCF 269982a_100000184526_100011217306 [0,0,0,0,0,1|2,0,1]=4 194 B12R1.31 Cc1ccc(o1)CN(C)CCF 34a_100000184526_100011217306 [0,0,0,0,0,1|2,0,1]=4 195 B12R1.31 Cc1ccc(o1)CN(C)CCO 2230a_100000184526_100000211926 [0,0,0,0,0,1|1,0,2]=4 196 B12R1.31 Cc1ccc(o1)CN(C)CCO 269982a_100000184526_100000211926 [0,0,0,0,0,1|1,0,2]=4 197 B12R1.31 Cc1ccc(o1)CN(C)CCO 270004a_100000210263_100000183696 [0,0,0,0,0,1|1,0,2]=4 198 B12R1.31 Cc1ccc(o1)CN(C)CCO 34a_100000184526_100000211926 [0,0,0,0,0,1|1,0,2]=4 199 B12R1.31 Cc1ccc(s1)CN(C)CC=O 2230a_100000751125_200015260668 [0,0,0,0,0,1|1,1,0]=3 200 B12R1.31 Cc1ccc(s1)CN(C)CC=O 269982a_100000751125_200015260668 [0,0,0,0,0,1|1,1,0]=3 201 B12R1.31 Cc1ccc(s1)SC(C)CC#N 62a_100000031368_100009813641 [0,0,0,0,0,1|1,1,1]=4 202 B12R1.31 Cc1ccc(s1)SC(C)CC#N 62a_100009813641_100000031368 [0,0,0,0,0,1|1,1,1]=4 203 B12R1.31 Cc1ccc(s1)SC(C)CCO 62a_100000031368_100009893172 [0,0,0,0,0,1|0,1,2]=4 204 B12R1.31 Cc1ccc(s1)SC(C)CCO 62a_100009893172_100000031368 [0,0,0,0,0,1|0,1,2]=4 205 B12R1.31 Cc1csc(c1)CN(C)CC=O 2230a_100011502060_200015260668 [0,0,0,0,0,1|3,0,0]=4 206 B12R1.31 Cc1csc(c1)CN(C)CC=O 269982a_100011502060_200015260668 [0,0,0,0,0,1|3,0,0]=4 207 B12R1.31 Cc1csc(n1)CN(C)CC=O 2230a_100000757614_200015260668 [0,0,0,0,0,1|3,0,0]=4 208 B12R1.31 Cc1csc(n1)CN(C)CC=O 269982a_100000757614_200015260668 [0,0,0,0,0,1|3,0,0]=4 209 B12R1.31 Cc1nc(cs1)CN(C)CC=O 2230a_100000207643_200015260668 [0,0,0,0,0,1|3,0,0]=4 210 B12R1.31 Cc1nc(cs1)CN(C)CC=O 269982a_100000207643_200015260668 [0,0,0,0,0,1|3,0,0]=4 211 B12R1.31 Cc1nnc(o1)CN(C)CC=O 2230a_100020591465_200015260668 [0,0,0,0,0,1|3,0,0]=4 212 B12R1.31 Cc1nnc(o1)CN(C)CC=O 269982a_100020591465_200015260668 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [2,0,0,0,0,0|1,0,1]=4 214 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [2,0,0,0,0,0|1,0,1]=4 215 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [2,0,0,0,0,0|1,0,1]=4 216 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [2,0,0,0,0,0|1,0,1]=4 217 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [2,0,0,0,0,0|1,0,1]=4 218 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [2,0,0,0,0,0|1,0,1]=4 219 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [2,0,0,0,0,0|1,1,0]=4 227 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [2,0,0,0,0,0|1,1,0]=4 228 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [2,0,0,0,0,0|1,0,1]=4 235 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [2,0,0,0,0,0|1,0,1]=4 238 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [2,0,0,0,0,0|1,0,1]=4 240 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [2,0,0,0,0,0|1,0,1]=4 241 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [2,0,0,0,0,0|1,0,1]=4 242 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [2,0,0,0,0,0|0,1,1]=4 243 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [2,0,0,0,0,0|1,0,1]=4 244 B11R1.2 C=CCC(OC)c1ccco1 34a_100011729935_200000210301 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.2 C=CCC(OC)c1ccco1 7a_100011729935_200000210301 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.2 C=CCC(O[13CH3])c1ccco1 34a_100011729935_200025704644 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.2 C=CCC(O[13CH3])c1ccco1 7a_100011729935_200025704644 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.2 CCCC(NC)c1ccco1 269862a_106832991636_200011535218 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.29 C#CCN[C@H](C)c1ccco1 2230a_100160469435_100000038162 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.29 C#CCO[C@@H](C)c1ccco1 34a_100000755270_100000184674 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.29 C#CCO[C@@H](C)c1ccco1 7a_100000755270_100000038162 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.29 C=CCNC(C)c1cccs1 2230a_100000703493_100000210623 [1,1,0,0,0,0|1,1,0]=4 253 B11R1.29 C=CCN[C@H](C)c1ccco1 2230a_100160469435_100000210623 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.29 C=CCO[C@@H](C)c1ccco1 34a_100000755270_100015514636 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.29 C=CCO[C@@H](C)c1ccco1 7a_100000755270_100015514636 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.29 C=CCO[C@H](C)c1cccs1 7a_100000750433_100015514636 [1,1,0,0,0,0|1,1,0]=4 257 B11R1.29 CC(NCC=O)c1cccs1 2230a_100000703493_200015260668 [1,1,0,0,0,0|0,1,0]=3 258 B11R1.29 CC(NCC=O)c1ccoc1 2230a_100000690049_200015260668 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.29 CC(NCC=O)c1ccsc1 2230a_100000748604_200015260668 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.29 CC(NCC=O)c1nccs1 2230a_100000725601_200015260668 [1,1,0,0,0,0|1,1,0]=4 261 B11R1.29 CC(OCC=O)c1ccsc1 34a_100011350980_200009817547 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.29 CC(OCC=O)c1ccsc1 7a_100011350980_200015260668 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.29 CC(OCC=O)c1nccs1 7a_100000751044_200015260668 [1,1,0,0,0,0|1,1,0]=4 264 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.29 C[C@@H](NCC#N)c1ccco1 2230a_100160469435_100011215382 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.29 C[C@@H](NCC=O)c1ccco1 2230a_100160469435_200015260668 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.29 C[C@@H](NCCF)c1ccco1 2230a_100160469435_100011217306 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.29 C[C@@H](NCCO)c1ccco1 2230a_100160469435_100000211926 [1,1,0,0,0,0|0,0,2]=4 274 B11R1.29 C[C@@H](OCC=O)c1cccs1 7a_100000750433_200015260668 [1,1,0,0,0,0|0,1,0]=3 275 B11R1.29 C[C@H](OCC#N)c1ccco1 7a_100000755270_100011215382 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.29 C[C@H](OCC=O)c1ccco1 34a_100000755270_200009817547 [1,1,0,0,0,0|0,0,0]=2 277 B11R1.29 C[C@H](OCC=O)c1ccco1 7a_100000755270_200015260668 [1,1,0,0,0,0|0,0,0]=2 278 B11R1.29 C[C@H](OCCF)c1ccco1 34a_100000755270_100011217306 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.29 C[C@H](OCCF)c1ccco1 7a_100000755270_100011217306 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.29 C[C@H](OCCO)c1ccco1 34a_100000755270_100000211926 [1,1,0,0,0,0|0,0,2]=4 281 B11R1.29 C[C@H](OCCO)c1ccco1 7a_100000755270_100000211926 [1,1,0,0,0,0|0,0,2]=4 282 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [1,1,0,0,0,0|1,1,0]=4 285 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [1,1,0,0,0,0|1,1,0]=4 286 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [1,1,0,0,0,0|1,1,0]=4 287 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [1,1,0,0,0,0|1,1,0]=4 288 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.11 CCC(NC)c1ccc(o1)C 269862a_106832991636_100011218535 [1,1,0,0,0,0|0,0,1]=3 294 B11R1.11 CCC(NC)c1ccc(s1)C 269862a_106832991636_100011203523 [1,1,0,0,0,0|0,1,1]=4 295 B11R1.11 CC[C@H](NC)c1ccc(o1)C 2230a_100012022952_200000210301 [1,1,0,0,0,0|0,0,1]=3 296 B11R1.11 CC[C@H](NC)c1ccc(o1)C 34a_100012022952_200000210301 [1,1,0,0,0,0|0,0,1]=3 297 B11R1.11 CC[C@H](N[13CH3])c1ccc(o1)C 2230a_100012022952_200025704644 [1,1,0,0,0,0|0,0,1]=3 298 B11R1.11 CC[C@H](N[13CH3])c1ccc(o1)C 34a_100012022952_200025704644 [1,1,0,0,0,0|0,0,1]=3 299 B11R1.27 C#CCNCc1ccc(o1)C 34a_100011194323_100000184674 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.27 C#CCOCc1ccc(o1)C 34a_100011232665_100000184674 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.27 C#CCOCc1ccc(o1)C 7a_100011232665_100000038162 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.27 C=CCCSc1ccc(s1)C 62a_100000031368_100000754431 [1,1,0,0,0,0|1,1,0]=4 303 B11R1.27 C=CCCSc1ccc(s1)C 62a_100000754431_100000031368 [1,1,0,0,0,0|1,1,0]=4 304 B11R1.27 C=CCNCc1ccc(o1)Br 270004a_100020586998_100000185145 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.27 C=CCNCc1ccc(o1)Br 34a_100000708654_100015514636 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.27 C=CCNCc1ccc(o1)C 270004a_100020586998_100000183696 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.27 C=CCNCc1ccc(o1)C 34a_100011194323_100015514636 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.27 C=CCNCc1ccc(o1)Cl 270004a_100020586998_100000188459 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.27 C=CCNCc1ccc(s1)C 2230a_100000238518_100000210623 [1,1,0,0,0,0|1,1,0]=4 310 B11R1.27 C=CCNCc1ccc(s1)C 270004a_100020586998_100000211121 [1,1,0,0,0,0|1,1,0]=4 311 B11R1.27 C=CCNCc1cnc(o1)C 270004a_100020586998_100000084308 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.27 C=CCNCc1ncc(o1)C 2230a_100138411809_100000210623 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.27 C=CCNCc1ncc(o1)C 34a_100138411809_100015514636 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.27 C=CCOCc1ccc(o1)Br 34a_100000246276_100015514636 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.27 C=CCOCc1ccc(o1)Br 7a_100000246276_100015514636 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.27 C=CCOCc1ccc(o1)C 34a_100011232665_100015514636 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.27 C=CCOCc1ccc(o1)C 7a_100011232665_100015514636 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.27 C=CCOCc1ccc(s1)C 34a_100000238367_100015514636 [1,1,0,0,0,0|1,1,0]=4 319 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.27 CCNCCc1ccc(o1)C 2230a_100000739271_100000210202 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.27 CCNCCc1ccc(o1)C 34a_100000739271_100000210202 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.27 CCOCCc1ccc(o1)C 34a_100012161071_100000210202 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.27 CCOCCc1ccc(o1)C 7a_100012161071_100000210202 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.27 CSCNCc1ccc(o1)C 34a_100011194323_100011218213 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.27 CSCOCc1ccc(o1)C 34a_100011232665_100011218213 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.27 Cc1ccc(o1)CCNCF 34a_100000739271_100015361967 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.27 Cc1ccc(o1)CCOCF 34a_100012161071_100015361967 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.27 Cc1ccc(o1)CCOCF 7a_100012161071_100015361967 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.27 Cc1ccc(o1)CNCC=O 34a_100011194323_200009817547 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.27 Cc1ccc(o1)CNCCF 34a_100011194323_100011217306 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.27 Cc1ccc(o1)CNCCO 207a_100000210304_100000183696 [1,1,0,0,0,0|0,0,2]=4 336 B11R1.27 Cc1ccc(o1)CNCCO 270004a_100000210304_100000183696 [1,1,0,0,0,0|0,0,2]=4 337 B11R1.27 Cc1ccc(o1)CNCCO 34a_100011194323_100000211926 [1,1,0,0,0,0|0,0,2]=4 338 B11R1.27 Cc1ccc(o1)COCC#N 7a_100011232665_100011215382 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.27 Cc1ccc(o1)COCC=O 34a_100011232665_200009817547 [1,1,0,0,0,0|0,0,0]=2 340 B11R1.27 Cc1ccc(o1)COCC=O 7a_100011232665_200015260668 [1,1,0,0,0,0|0,0,0]=2 341 B11R1.27 Cc1ccc(o1)COCCF 34a_100011232665_100011217306 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.27 Cc1ccc(o1)COCCF 7a_100011232665_100011217306 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.27 Cc1ccc(o1)COCCO 34a_100011232665_100000211926 [1,1,0,0,0,0|0,0,2]=4 344 B11R1.27 Cc1ccc(o1)COCCO 7a_100011232665_100000211926 [1,1,0,0,0,0|0,0,2]=4 345 B11R1.27 Cc1ccc(s1)CNCC=O 2230a_100000238518_200015260668 [1,1,0,0,0,0|0,1,0]=3 346 B11R1.27 Cc1ccc(s1)COCC=O 34a_100000238367_200009817547 [1,1,0,0,0,0|0,1,0]=3 347 B11R1.27 Cc1cnc(o1)CNCC=O 2230a_100138411809_200015260668 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.27 Cc1cnc(o1)CNCC=O 34a_100138411809_200009817547 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.27 Cc1csc(c1)CNCC=O 2230a_100015204214_200015260668 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.27 Cc1csc(c1)CNCC=O 34a_100015204214_200009817547 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.27 Cc1csc(c1)COCC=O 34a_200000068372_200009817547 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.27 Cc1csc(c1)COCC=O 7a_200000068372_200015260668 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.27 Cc1csc(n1)CNCC=O 2230a_100015183719_200015260668 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.27 Cc1nc(co1)COCC=O 34a_100012017233_200009817547 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.27 Cc1nc(cs1)CNCC=O 34a_100000707933_200009817547 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.27 Cc1nc(cs1)COCC=O 34a_100000735831_200009817547 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.27 Cc1nc(cs1)CSCC=O 62a_100015186478_200015260668 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.27 Cc1nc(cs1)CSCC=O 62a_200015260668_100015186478 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.27 Cc1ncc(s1)CNCC=O 2230a_200000743601_200015260668 [1,1,0,0,0,0|1,1,0]=4 360 B11R1.27 Cc1ncc(s1)COCC=O 7a_100000743366_200015260668 [1,1,0,0,0,0|1,1,0]=4 361 B11R1.27 Cc1ncc(s1)CSCC=O 62a_100020635045_200015260668 [1,1,0,0,0,0|1,1,0]=4 362 B11R1.27 Cc1ncc(s1)CSCC=O 62a_200015260668_100020635045 [1,1,0,0,0,0|1,1,0]=4 363 B11R1.27 Cc1nnc(o1)CNCC=O 2230a_200000236979_200015260668 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.27 Cc1nnc(o1)CNCC=O 34a_200000236979_200009817547 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.27 Cc1nnc(o1)COCC=O 34a_100000749586_200009817547 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.27 Cc1nnc(o1)CSCC=O 62a_100000181450_200015260668 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.27 Cc1nnc(o1)CSCC=O 62a_200015260668_100000181450 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.27 Cn1ccc(n1)CNCC=O 2230a_100020636201_200015260668 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.27 Cn1ccc(n1)CNCC=O 34a_100020636201_200009817547 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.27 Cn1ccc(n1)COCC=O 34a_100000744484_200009817547 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.27 Cn1ccc(n1)CSCC=O 62a_100000726502_200015260668 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.27 Cn1ccc(n1)CSCC=O 62a_200015260668_100000726502 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.27 O=CCNCc1ccc(o1)Br 34a_100000708654_200009817547 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.27 O=CCNCc1ccc(s1)Cl 2230a_100000737310_200015260668 [1,1,0,0,0,0|1,1,0]=4 375 B11R1.27 O=CCOCc1ccc(o1)Br 34a_100000246276_200009817547 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.27 O=CCOCc1ccc(o1)Br 7a_100000246276_200015260668 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.27 O=CCSCc1ccc(s1)Br 62a_100000708592_200015260668 [1,1,0,0,0,0|1,1,0]=4 378 B11R1.27 O=CCSCc1ccc(s1)Br 62a_200015260668_100000708592 [1,1,0,0,0,0|1,1,0]=4 379 B11R1.27 O=CCSCc1ccc(s1)Cl 62a_100000185097_200015260668 [1,1,0,0,0,0|1,1,0]=4 380 B11R1.27 O=CCSCc1ccc(s1)Cl 62a_200015260668_100000185097 [1,1,0,0,0,0|1,1,0]=4 381 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [1,1,0,0,0,0|0,0,2]=4 382 B11R1.75 CC(=O)CCc1csc(n1)C 1458a_100000070787_100000695623 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000070787_200011934056 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000759146_200000210301 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [1,1,0,0,0,0|1,1,0]=4 394 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [1,1,0,0,0,0|1,1,0]=4 395 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [1,1,0,0,0,0|1,1,0]=4 396 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [1,1,0,0,0,0|1,1,0]=4 397 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [1,1,0,0,0,0|0,0,2]=4 402 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000031368_100000747473 [1,1,0,0,0,0|1,1,0]=4 403 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000747473_100000031368 [1,1,0,0,0,0|1,1,0]=4 404 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100000031368_100020667443 [1,1,0,0,0,0|1,1,0]=4 405 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100020667443_100000031368 [1,1,0,0,0,0|1,1,0]=4 406 B11R1.75 Cc1ccn(n1)CCC(=O)[13CH3] 1458a_100000759146_200025704644 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.214 C=CCSc1ccc(o1)CN 62a_100000210623_100000708654 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.214 C=CCSc1ccc(o1)CO 62a_100000210623_100000246276 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.214 C=CCSc1ccc(o1)CO 62a_100000246276_100000210623 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.214 CCCCc1ccc(o1)CN 271570a_100020621405_100000708654 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.214 CCCCc1ccc(o1)CO 271570a_100020621405_100000246276 [1,1,0,0,0,0|1,0,1]=4 412 B11R1.214 CCc1ccc(s1)SCC=O 62a_100009844052_200015260668 [1,1,0,0,0,0|1,1,0]=4 413 B11R1.214 CCc1ccc(s1)SCC=O 62a_200015260668_100009844052 [1,1,0,0,0,0|1,1,0]=4 414 B11R1.214 N#Cc1ccc(o1)SCC=O 62a_200015260668_100000764468 [1,1,0,0,0,0|1,0,1]=4 415 B11R1.214 NCc1ccc(o1)SCC=O 62a_200015260668_100000708654 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.214 NCc1ccc(s1)SCC=O 62a_100000737305_200015260668 [1,1,0,0,0,0|1,1,0]=4 417 B11R1.214 NCc1ccc(s1)SCC=O 62a_200015260668_100000737305 [1,1,0,0,0,0|1,1,0]=4 418 B11R1.214 O=CCSc1ccc(o1)C=O 62a_200015260668_100000186757 [1,1,0,0,0,0|1,0,1]=4 419 B11R1.214 O=CCSc1ccc(o1)CO 62a_100000246276_200015260668 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.214 O=CCSc1ccc(o1)CO 62a_200015260668_100000246276 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.214 O=CCSc1ccc(s1)CO 62a_100000246291_200015260668 [1,1,0,0,0,0|1,1,0]=4 422 B11R1.214 O=CCSc1ccc(s1)CO 62a_200015260668_100000246291 [1,1,0,0,0,0|1,1,0]=4 423 B11R1.230 Cc1cc(c(s1)SCC=O)C 62a_100000689295_200015260668 [1,1,0,0,0,0|1,1,0]=4 424 B11R1.230 Cc1cc(c(s1)SCC=O)C 62a_200015260668_100000689295 [1,1,0,0,0,0|1,1,0]=4 425 B11R1.231 Cc1cc(sc1C)SCC=O 62a_100009850898_200015260668 [1,1,0,0,0,0|1,1,0]=4 426 B11R1.231 Cc1cc(sc1C)SCC=O 62a_200015260668_100009850898 [1,1,0,0,0,0|1,1,0]=4 427 B13R1.1 CCN(CC=O)c1ccc(cc1)C 2230a_100000219985_200015260668 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.1 CCN(CC=O)c1ccc(cc1)C 269982a_100000219985_200015260668 [0,1,0,0,0,1|2,0,0]=4 429 B13R1.1 CCN(CC=O)c1ccc(cc1)C 34a_100000219985_200009817547 [0,1,0,0,0,1|2,0,0]=4 430 B13R1.17 C=CCNC(C)c1ccc(cc1)C 2230a_100020586998_100011261388 [0,1,0,0,0,1|2,0,0]=4 431 B13R1.17 C=CCNC(C)c1ccc(cn1)C 270004a_100020586998_100000084104 [0,1,0,0,0,1|2,0,0]=4 432 B13R1.17 C=CCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210623 [0,1,0,0,0,1|2,0,0]=4 433 B13R1.17 C=CCNC(C)c1ccc(nc1)C 34a_100011815741_100015514636 [0,1,0,0,0,1|2,0,0]=4 434 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210623 [0,1,0,0,0,1|2,0,0]=4 435 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100015514636 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.17 C=CCOC(C)c1ccc(cc1)C 34a_200000210373_100011261388 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.17 C=CCOC(C)c1ccc(nc1)C 34a_200011815720_100015514636 [0,1,0,0,0,1|2,0,0]=4 438 B13R1.17 C=CCOC(C)c1ccc(nc1)C 7a_200011815720_100015514636 [0,1,0,0,0,1|2,0,0]=4 439 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100015514636 [0,1,0,0,0,1|2,0,0]=4 440 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100015514636 [0,1,0,0,0,1|2,0,0]=4 441 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100000210623_100011261388 [0,1,0,0,0,1|2,0,0]=4 442 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210623 [0,1,0,0,0,1|2,0,0]=4 443 B13R1.17 CC(NCC=O)c1ccc(cn1)Br 2230a_100000723930_200015260668 [0,1,0,0,0,1|2,0,0]=4 444 B13R1.17 CC(OCC=O)c1ccc(cc1)Br 34a_100000745893_200009817547 [0,1,0,0,0,1|2,0,0]=4 445 B13R1.17 CC(OCC=O)c1ccc(cc1)Br 7a_100000745893_200015260668 [0,1,0,0,0,1|2,0,0]=4 446 B13R1.17 CC(OCC=O)c1ccc(cc1)F 34a_100000181323_200009817547 [0,1,0,0,0,1|2,0,0]=4 447 B13R1.17 CC(OCC=O)c1ccc(cc1)F 7a_100000181323_200015260668 [0,1,0,0,0,1|2,0,0]=4 448 B13R1.17 CC(OCC=O)c1ccc(cc1)N 34a_100011216399_200009817547 [0,1,0,0,0,1|2,0,0]=4 449 B13R1.17 CC(OCC=O)c1ccc(cn1)Br 34a_100012353650_200009817547 [0,1,0,0,0,1|2,0,0]=4 450 B13R1.17 CC(OCC=O)c1ccc(cn1)Br 7a_100012353650_200015260668 [0,1,0,0,0,1|2,0,0]=4 451 B13R1.17 CC(OCC=O)c1ccc(nc1)Br 34a_200010274204_200009817547 [0,1,0,0,0,1|2,0,0]=4 452 B13R1.17 CC(OCC=O)c1ccc(nc1)Br 7a_200010274204_200015260668 [0,1,0,0,0,1|2,0,0]=4 453 B13R1.17 CC(OCC=O)c1ccc(nc1)Cl 34a_200012017543_200009817547 [0,1,0,0,0,1|2,0,0]=4 454 B13R1.17 CC(OCC=O)c1ccc(nc1)Cl 7a_200012017543_200015260668 [0,1,0,0,0,1|2,0,0]=4 455 B13R1.17 CC(SCC=O)c1ccc(cc1)Br 62a_100000755118_200015260668 [0,1,0,0,0,1|2,0,0]=4 456 B13R1.17 CC(SCC=O)c1ccc(cc1)Br 62a_200015260668_100000755118 [0,1,0,0,0,1|2,0,0]=4 457 B13R1.17 CC(SCC=O)c1ccc(cc1)Cl 62a_100000684792_200015260668 [0,1,0,0,0,1|2,0,0]=4 458 B13R1.17 CC(SCC=O)c1ccc(cc1)Cl 62a_200015260668_100000684792 [0,1,0,0,0,1|2,0,0]=4 459 B13R1.17 CC(SCC=O)c1ccc(cc1)F 62a_100000743420_200015260668 [0,1,0,0,0,1|2,0,0]=4 460 B13R1.17 CC(SCC=O)c1ccc(cc1)F 62a_200015260668_100000743420 [0,1,0,0,0,1|2,0,0]=4 461 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Br 2230a_100000720352_200015260668 [0,1,0,0,0,1|2,0,0]=4 462 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Cl 2230a_100015205461_200015260668 [0,1,0,0,0,1|2,0,0]=4 463 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Cl 34a_100015205461_200009817547 [0,1,0,0,0,1|2,0,0]=4 464 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)F 2230a_100025705893_200015260668 [0,1,0,0,0,1|2,0,0]=4 465 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)F 34a_100025705893_200009817547 [0,1,0,0,0,1|2,0,0]=4 466 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)I 2230a_100000753911_200015260668 [0,1,0,0,0,1|2,0,0]=4 467 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)O 2230a_100161106496_200015260668 [0,1,0,0,0,1|2,0,0]=4 468 B13R1.17 C[C@H](NCC=O)c1ccc(nc1)Br 2230a_100015387476_200015260668 [0,1,0,0,0,1|2,0,0]=4 469 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 34a_100011852131_200009817547 [0,1,0,0,0,1|2,0,0]=4 470 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 7a_100011852131_200015260668 [0,1,0,0,0,1|2,0,0]=4 471 B13R1.17 Cc1ccc(cc1)C(C)SCC=O 62a_100011261388_200015260668 [0,1,0,0,0,1|1,0,0]=3 472 B13R1.17 Cc1ccc(cc1)C(C)SCC=O 62a_200015260668_100011261388 [0,1,0,0,0,1|1,0,0]=3 473 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC=O 2230a_100016988085_200015260668 [0,1,0,0,0,1|1,0,0]=3 474 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC=O 34a_100016988085_200009817547 [0,1,0,0,0,1|1,0,0]=3 475 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC=O 34a_100000690690_200009817547 [0,1,0,0,0,1|1,0,0]=3 476 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC=O 7a_100000690690_200015260668 [0,1,0,0,0,1|1,0,0]=3 477 B13R1.17 Cc1ccc(cn1)C(C)NCC=O 2230a_100011815741_200015260668 [0,1,0,0,0,1|1,0,0]=3 478 B13R1.17 Cc1ccc(cn1)C(C)NCC=O 34a_100011815741_200009817547 [0,1,0,0,0,1|1,0,0]=3 479 B13R1.17 Cc1ccc(cn1)C(C)OCC=O 34a_200011815720_200009817547 [0,1,0,0,0,1|1,0,0]=3 480 B13R1.17 Cc1ccc(cn1)C(C)OCC=O 7a_200011815720_200015260668 [0,1,0,0,0,1|1,0,0]=3 481 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,1,0,0,0,1|1,0,0]=3 482 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 11a_100011815741_100015343762 [0,1,0,0,0,1|2,0,0]=4 483 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 1626a_100011815741_100015343762 [0,1,0,0,0,1|2,0,0]=4 484 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 240690a_100011815741_100015343762 [0,1,0,0,0,1|2,0,0]=4 485 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 527a_100011815741_100103153847 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100015343762 [0,1,0,0,0,1|2,0,0]=4 487 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100015343762 [0,1,0,0,0,1|2,0,0]=4 488 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100015343762 [0,1,0,0,0,1|2,0,0]=4 489 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100103153847 [0,1,0,0,0,1|2,0,0]=4 490 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,1,0,0,0,1|1,0,0]=3 491 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 2230a_100000219977_100000747473 [0,1,0,0,0,1|2,0,0]=4 492 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 269982a_100000219977_100000187820 [0,1,0,0,0,1|2,0,0]=4 493 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 34a_100000219977_100000187820 [0,1,0,0,0,1|2,0,0]=4 494 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 269982a_100000219977_100020667443 [0,1,0,0,0,1|2,0,0]=4 495 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 34a_100000219977_100020667443 [0,1,0,0,0,1|2,0,0]=4 496 B13R1.132 Cc1ccc(nn1)N(C)CC(=O)N 27a_100000739694_100000744512 [0,1,0,0,0,1|2,0,0]=4 497 B13R1.452 COc1ccc(cc1)N(C)CC=O 2230a_100000220023_200015260668 [0,1,0,0,0,1|2,0,0]=4 498 B13R1.452 COc1ccc(cc1)N(C)CC=O 269982a_100000220023_200015260668 [0,1,0,0,0,1|2,0,0]=4 499 B13R1.452 COc1ccc(cc1)N(C)CC=O 34a_100000220023_200009817547 [0,1,0,0,0,1|2,0,0]=4 500 B13R1.466 Cc1ccc(cc1Br)N(C)CC=O 2230a_100000707694_200015260668 [0,1,0,0,0,1|2,0,0]=4 501 B13R1.466 Cc1ccc(cc1Br)N(C)CC=O 269982a_100000707694_200015260668 [0,1,0,0,0,1|2,0,0]=4 502 B13R1.466 Cc1ccc(cc1Br)N(C)CC=O 34a_100000707694_200009817547 [0,1,0,0,0,1|2,0,0]=4 503 B13R1.466 Cc1ccc(cc1Cl)N(C)CC=O 2230a_100000220120_200015260668 [0,1,0,0,0,1|2,0,0]=4 504 B13R1.466 Cc1ccc(cc1Cl)N(C)CC=O 269982a_100000220120_200015260668 [0,1,0,0,0,1|2,0,0]=4 505 B13R1.466 Cc1ccc(cc1Cl)N(C)CC=O 34a_100000220120_200009817547 [0,1,0,0,0,1|2,0,0]=4 506 B13R1.466 Cc1ccc(cc1F)N(C)CC=O 2230a_100160572069_200015260668 [0,1,0,0,0,1|2,0,0]=4 507 B13R1.466 Cc1ccc(cc1F)N(C)CC=O 269982a_100160572069_200015260668 [0,1,0,0,0,1|2,0,0]=4 508 B13R1.466 Cc1ccc(cc1F)N(C)CC=O 34a_100160572069_200009817547 [0,1,0,0,0,1|2,0,0]=4 509 B13R1.466 Cc1ccc(cc1F)N(C)CC=O 7a_100160572069_200015260668 [0,1,0,0,0,1|2,0,0]=4 510 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CC=O 2230a_100000221369_200015260668 [0,1,0,0,0,1|2,0,0]=4 511 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CC=O 269982a_100000221369_200015260668 [0,1,0,0,0,1|2,0,0]=4 512 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CC=O 34a_100000221369_200009817547 [0,1,0,0,0,1|2,0,0]=4 513 B13R1.2 CCN(CC=O)c1cccc(c1)C 2230a_100000182157_200015260668 [0,1,0,0,0,1|2,0,0]=4 514 B13R1.2 CCN(CC=O)c1cccc(c1)C 269982a_100000182157_200015260668 [0,1,0,0,0,1|2,0,0]=4 515 B13R1.2 CCN(CC=O)c1cccc(c1)C 34a_100000182157_200009817547 [0,1,0,0,0,1|2,0,0]=4 516 B13R1.2 CCN(CC=O)c1cccc(c1)C 7a_100000182157_200015260668 [0,1,0,0,0,1|2,0,0]=4 517 B13R1.18 C=CCNC(C)c1cc(ccn1)C 2230a_100011933787_100000210623 [0,1,0,0,0,1|2,0,0]=4 518 B13R1.18 C=CCNC(C)c1cc(ccn1)C 270004a_100020586998_100000728896 [0,1,0,0,0,1|2,0,0]=4 519 B13R1.18 C=CCNC(C)c1cccc(n1)C 2230a_100011877385_100000210623 [0,1,0,0,0,1|2,0,0]=4 520 B13R1.18 C=CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210623 [0,1,0,0,0,1|2,0,0]=4 521 B13R1.18 C=CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100015514636 [0,1,0,0,0,1|2,0,0]=4 522 B13R1.18 C=CCOC(C)c1cccc(c1)C 34a_100000757818_100015514636 [0,1,0,0,0,1|2,0,0]=4 523 B13R1.18 C=CCOC(C)c1cccc(c1)C 7a_100000757818_100015514636 [0,1,0,0,0,1|2,0,0]=4 524 B13R1.18 C=CCOC(C)c1cccc(n1)C 34a_200011877368_100015514636 [0,1,0,0,0,1|2,0,0]=4 525 B13R1.18 C=CCOC(C)c1cccc(n1)C 7a_200011877368_100015514636 [0,1,0,0,0,1|2,0,0]=4 526 B13R1.18 CC(NCC=O)c1cccc(c1)Br 2230a_100020642005_200015260668 [0,1,0,0,0,1|2,0,0]=4 527 B13R1.18 CC(NCC=O)c1cccc(c1)Cl 2230a_100102723534_200015260668 [0,1,0,0,0,1|2,0,0]=4 528 B13R1.18 CC(NCC=O)c1cccc(c1)Cl 34a_100102723534_200009817547 [0,1,0,0,0,1|2,0,0]=4 529 B13R1.18 CC(NCC=O)c1cccc(c1)O 2230a_100000740644_200015260668 [0,1,0,0,0,1|2,0,0]=4 530 B13R1.18 CC(NCC=O)c1cccc(n1)Br 2230a_200010173468_200015260668 [0,1,0,0,0,1|2,0,0]=4 531 B13R1.18 CC(OCC=O)c1cc(ccn1)Cl 7a_100000144657_200015260668 [0,1,0,0,0,1|2,0,0]=4 532 B13R1.18 CC(OCC=O)c1cccc(c1)Br 34a_100000246457_200009817547 [0,1,0,0,0,1|2,0,0]=4 533 B13R1.18 CC(OCC=O)c1cccc(c1)Br 7a_100000246457_200015260668 [0,1,0,0,0,1|2,0,0]=4 534 B13R1.18 CC(OCC=O)c1cccc(c1)F 34a_100000744526_200009817547 [0,1,0,0,0,1|2,0,0]=4 535 B13R1.18 CC(OCC=O)c1cccc(c1)F 7a_100000744526_200015260668 [0,1,0,0,0,1|2,0,0]=4 536 B13R1.18 CC(OCC=O)c1cccc(c1)I 34a_100013085317_200009817547 [0,1,0,0,0,1|2,0,0]=4 537 B13R1.18 CC(OCC=O)c1cccc(c1)I 7a_100013085317_200015260668 [0,1,0,0,0,1|2,0,0]=4 538 B13R1.18 CC(OCC=O)c1cccc(c1)N 34a_100011217120_200009817547 [0,1,0,0,0,1|2,0,0]=4 539 B13R1.18 CC(OCC=O)c1cccc(c1)N 7a_100011217120_200015260668 [0,1,0,0,0,1|2,0,0]=4 540 B13R1.18 CC(OCC=O)c1cccc(n1)Br 7a_100009820884_200015260668 [0,1,0,0,0,1|2,0,0]=4 541 B13R1.18 CC(OCC=O)c1cncc(c1)Br 34a_100012351597_200009817547 [0,1,0,0,0,1|2,0,0]=4 542 B13R1.18 CC(OCC=O)c1cncc(c1)Br 7a_100012351597_200015260668 [0,1,0,0,0,1|2,0,0]=4 543 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)F 2230a_100015193778_200015260668 [0,1,0,0,0,1|2,0,0]=4 544 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)F 34a_100015193778_200009817547 [0,1,0,0,0,1|2,0,0]=4 545 B13R1.18 C[C@@H](NCC=O)c1cncc(c1)Br 2230a_100012350620_200015260668 [0,1,0,0,0,1|2,0,0]=4 546 B13R1.18 C[C@@H](OCC=O)c1cccc(c1)Cl 34a_100000747380_200009817547 [0,1,0,0,0,1|2,0,0]=4 547 B13R1.18 C[C@@H](OCC=O)c1cccc(c1)Cl 7a_100000747380_200015260668 [0,1,0,0,0,1|2,0,0]=4 548 B13R1.18 C[C@H](NCC=O)c1cccc(n1)F 2230a_100025709760_200015260668 [0,1,0,0,0,1|2,0,0]=4 549 B13R1.18 C[C@H](NCC=O)c1cccc(n1)F 34a_100025709760_200009817547 [0,1,0,0,0,1|2,0,0]=4 550 B13R1.18 Cc1cccc(c1)C(C)OCC=O 34a_100000757818_200009817547 [0,1,0,0,0,1|1,0,0]=3 551 B13R1.18 Cc1cccc(c1)C(C)OCC=O 7a_100000757818_200015260668 [0,1,0,0,0,1|1,0,0]=3 552 B13R1.18 Cc1cccc(c1)[C@@H](C)NCC=O 2230a_100000698126_200015260668 [0,1,0,0,0,1|1,0,0]=3 553 B13R1.18 Cc1cccc(c1)[C@@H](C)NCC=O 34a_100000698126_200009817547 [0,1,0,0,0,1|1,0,0]=3 554 B13R1.18 Cc1cccc(n1)C(C)NCC=O 2230a_100011877385_200015260668 [0,1,0,0,0,1|1,0,0]=3 555 B13R1.18 Cc1cccc(n1)C(C)OCC=O 34a_200011877368_200009817547 [0,1,0,0,0,1|1,0,0]=3 556 B13R1.18 Cc1cccc(n1)C(C)OCC=O 7a_200011877368_200015260668 [0,1,0,0,0,1|1,0,0]=3 557 B13R1.18 Cc1ccnc(c1)C(C)NCC=O 2230a_100011933787_200015260668 [0,1,0,0,0,1|1,0,0]=3 558 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 11a_100011933787_100015343762 [0,1,0,0,0,1|2,0,0]=4 559 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 1626a_100011933787_100015343762 [0,1,0,0,0,1|2,0,0]=4 560 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 240690a_100011933787_100015343762 [0,1,0,0,0,1|2,0,0]=4 561 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 527a_100011933787_100103153847 [0,1,0,0,0,1|2,0,0]=4 562 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 11a_100011877385_100015343762 [0,1,0,0,0,1|2,0,0]=4 563 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 1626a_100011877385_100015343762 [0,1,0,0,0,1|2,0,0]=4 564 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 240690a_100011877385_100015343762 [0,1,0,0,0,1|2,0,0]=4 565 B13R1.147 CC(=O)NC(C)c1cccc(n1)C 527a_100011877385_100103153847 [0,1,0,0,0,1|2,0,0]=4 566 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 11a_100000698126_100015343762 [0,1,0,0,0,1|2,0,0]=4 567 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 1626a_100000698126_100015343762 [0,1,0,0,0,1|2,0,0]=4 568 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 240690a_100000698126_100015343762 [0,1,0,0,0,1|2,0,0]=4 569 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 527a_100000698126_100103153847 [0,1,0,0,0,1|2,0,0]=4 570 B13R1.147 Cc1cc(ccn1)N(C)CC(=O)N 27a_100000739694_100000758586 [0,1,0,0,0,1|2,0,0]=4 571 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 2230a_100000219674_100000747473 [0,1,0,0,0,1|2,0,0]=4 572 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 269982a_100000219674_100000187820 [0,1,0,0,0,1|2,0,0]=4 573 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 34a_100000219674_100000187820 [0,1,0,0,0,1|2,0,0]=4 574 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 269982a_100000219674_100020667443 [0,1,0,0,0,1|2,0,0]=4 575 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 34a_100000219674_100020667443 [0,1,0,0,0,1|2,0,0]=4 576 B13R1.147 Cc1ccnc(n1)N(C)CC(=O)N 27a_100000739694_100000750684 [0,1,0,0,0,1|2,0,0]=4 577 B13R1.147 Cc1cncc(n1)N(C)CC(=O)N 27a_100000739694_100000754123 [0,1,0,0,0,1|2,0,0]=4 578 B13R1.147 Cc1nccc(n1)N(C)CC(=O)N 27a_100000739694_100000749937 [0,1,0,0,0,1|2,0,0]=4 579 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)F 2230a_103496528823_200015260668 [0,1,0,0,0,1|2,0,0]=4 580 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)F 269982a_103496528823_200015260668 [0,1,0,0,0,1|2,0,0]=4 581 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)F 34a_103496528823_200009817547 [0,1,0,0,0,1|2,0,0]=4 582 B13R1.450 Cc1cc(cc(c1)N(C)CC=O)F 7a_103496528823_200015260668 [0,1,0,0,0,1|2,0,0]=4 583 B13R1.460 COc1cccc(c1)N(C)CC=O 2230a_100000219725_200015260668 [0,1,0,0,0,1|2,0,0]=4 584 B13R1.460 COc1cccc(c1)N(C)CC=O 269982a_100000219725_200015260668 [0,1,0,0,0,1|2,0,0]=4 585 B13R1.460 COc1cccc(c1)N(C)CC=O 34a_100000219725_200009817547 [0,1,0,0,0,1|2,0,0]=4 586 B13R1.460 CSc1cccc(c1)N(C)CC=O 2230a_100020672454_200015260668 [0,1,0,0,0,1|2,0,0]=4 587 B13R1.460 CSc1cccc(c1)N(C)CC=O 269982a_100020672454_200015260668 [0,1,0,0,0,1|2,0,0]=4 588 B13R1.460 CSc1cccc(c1)N(C)CC=O 34a_100020672454_200009817547 [0,1,0,0,0,1|2,0,0]=4 589 B13R1.43 C/C=C/CN(C)Cc1ccc(o1)C 269982a_100000184526_100102629194 [0,1,0,0,0,1|2,0,0]=4 590 B13R1.43 C/C=C/CN(C)Cc1ccc(o1)C 34a_100000184526_100102629194 [0,1,0,0,0,1|2,0,0]=4 591 B13R1.43 C=CCCN(C)Cc1ccc(o1)C 2230a_100000184526_100000754431 [0,1,0,0,0,1|2,0,0]=4 592 B13R1.43 C=CCCN(C)Cc1ccc(o1)C 269982a_100000184526_100000754431 [0,1,0,0,0,1|2,0,0]=4 593 B13R1.43 C=CCCN(C)Cc1ccc(o1)C 270004a_100020639649_100000183696 [0,1,0,0,0,1|2,0,0]=4 594 B13R1.43 C=CCCN(C)Cc1ccc(o1)C 34a_100000184526_100000754431 [0,1,0,0,0,1|2,0,0]=4 595 B13R1.43 CC=CCN(C)Cc1ccc(o1)C 2230a_100000184526_100000070051 [0,1,0,0,0,1|2,0,0]=4 596 B13R1.43 CC=CCN(C)Cc1ccc(o1)C 34a_100000184526_100000070051 [0,1,0,0,0,1|2,0,0]=4 597 B13R1.78 C=CCN(CC)Cc1ccc(o1)C 2230a_200015183256_100000210623 [0,1,0,0,0,1|2,0,0]=4 598 B13R1.78 C=CCN(CC)Cc1ccc(o1)C 269982a_200015183256_100000210623 [0,1,0,0,0,1|2,0,0]=4 599 B13R1.78 CCN(CC=O)Cc1ccc(o1)C 2230a_200015183256_200015260668 [0,1,0,0,0,1|1,0,0]=3 600 B13R1.78 CCN(CC=O)Cc1ccc(o1)C 269982a_200015183256_200015260668 [0,1,0,0,0,1|1,0,0]=3 601 B13R1.134 C=CC(C)N(C)Cc1ccc(o1)C 269982a_100000184526_100011215867 [0,1,0,0,0,1|2,0,0]=4 602 B13R1.689 C=CCN(C)Cc1ccc(o1)CC 270004a_100000225617_100000743199 [0,1,0,0,0,1|2,0,0]=4 603 B13R1.689 C=CCN(C)Cc1ccc(o1)CO 270004a_100000225617_100000758743 [0,1,0,0,0,1|2,0,0]=4 604 B13R1.689 CC(CC#N)Sc1ccc(o1)CN 62a_100009813641_100000708654 [0,1,0,0,0,1|1,0,1]=4 605 B13R1.689 CC(CC#N)Sc1ccc(o1)CO 62a_100000246276_100009813641 [0,1,0,0,0,1|1,0,1]=4 606 B13R1.689 CC(CC#N)Sc1ccc(o1)CO 62a_100009813641_100000246276 [0,1,0,0,0,1|1,0,1]=4 607 B13R1.689 CC(CCO)Sc1ccc(o1)CN 62a_100009893172_100000708654 [0,1,0,0,0,1|0,0,2]=4 608 B13R1.689 CC(CCO)Sc1ccc(o1)CO 62a_100000246276_100009893172 [0,1,0,0,0,1|0,0,2]=4 609 B13R1.689 CC(CCO)Sc1ccc(o1)CO 62a_100009893172_100000246276 [0,1,0,0,0,1|0,0,2]=4 610 B13R1.689 CCCC(C)Sc1ccc(o1)CN 62a_100000766640_100000708654 [0,1,0,0,0,1|1,0,1]=4 611 B13R1.689 CCCC(C)Sc1ccc(o1)CO 62a_100000246276_100000766640 [0,1,0,0,0,1|1,0,1]=4 612 B13R1.689 CCCC(C)Sc1ccc(o1)CO 62a_100000766640_100000246276 [0,1,0,0,0,1|1,0,1]=4 613 B13R1.689 COCC(C)Sc1ccc(o1)CN 62a_100000765312_100000708654 [0,1,0,0,0,1|2,0,0]=4 614 B13R1.689 COCC(C)Sc1ccc(o1)CO 62a_100000246276_100000765312 [0,1,0,0,0,1|2,0,0]=4 615 B13R1.689 COCC(C)Sc1ccc(o1)CO 62a_100000765312_100000246276 [0,1,0,0,0,1|2,0,0]=4 616 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)C 2230a_100000184526_100000748629 [0,1,0,0,0,1|2,0,0]=4 617 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)C 269982a_100000184526_100000748629 [0,1,0,0,0,1|2,0,0]=4 618 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)C 270004a_100000225649_100000183696 [0,1,0,0,0,1|2,0,0]=4 619 B13R1.3424 C=C(C)CN(C)Cc1ccc(o1)C 34a_100000184526_100000748629 [0,1,0,0,0,1|2,0,0]=4 620 B13R1.3424 C=C(F)CN(C)Cc1ccc(o1)C 2230a_100000184526_100009893438 [0,1,0,0,0,1|2,0,0]=4 621 B13R1.3424 C=C(F)CN(C)Cc1ccc(o1)C 269982a_100000184526_100009893438 [0,1,0,0,0,1|2,0,0]=4 622 B13R1.3424 C=C(F)CN(C)Cc1ccc(o1)C 34a_100000184526_100009893438 [0,1,0,0,0,1|2,0,0]=4 623 B13R1.3424 CC(=O)OC(C)Sc1ccc(s1)C 62a_100000031368_100009818208 [0,1,0,0,0,1|1,1,0]=4 624 B13R1.3424 CC(=O)OC(C)Sc1ccc(s1)C 62a_100009818208_100000031368 [0,1,0,0,0,1|1,1,0]=4 625 B13R1.3424 CN(CC(=O)N)Cc1ccc(o1)Br 2230a_100000207588_100000747473 [0,1,0,0,0,1|2,0,0]=4 626 B13R1.3424 CN(CC(=O)N)Cc1ccc(o1)Br 269982a_100000207588_100000187820 [0,1,0,0,0,1|2,0,0]=4 627 B13R1.3424 CN(CC(=O)N)Cc1ccc(o1)Br 270004a_100000739694_100000185145 [0,1,0,0,0,1|2,0,0]=4 628 B13R1.3424 CN(CC(=O)N)Cc1ccc(o1)Cl 270004a_100000739694_100000188459 [0,1,0,0,0,1|2,0,0]=4 629 B13R1.3424 CN(CC(=O)[O-])Cc1ccc(o1)Br 269982a_100000207588_100020667443 [0,1,0,0,0,1|2,0,0]=4 630 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)N 2230a_100000184526_100000747473 [0,1,0,0,0,1|1,0,0]=3 631 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)N 269982a_100000184526_100000187820 [0,1,0,0,0,1|1,0,0]=3 632 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)N 270004a_100000739694_100000183696 [0,1,0,0,0,1|1,0,0]=3 633 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)N 34a_100000184526_100000187820 [0,1,0,0,0,1|1,0,0]=3 634 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)[O-] 269982a_100000184526_100020667443 [0,1,0,0,0,1|1,0,0]=3 635 B13R1.3424 Cc1ccc(o1)CN(C)CC(=O)[O-] 34a_100000184526_100020667443 [0,1,0,0,0,1|1,0,0]=3 636 B13R1.3424 Cc1ccc(o1)CN(C)C[N+](=O)[O-] 269982a_100000184526_100000761209 [0,1,0,0,0,1|2,0,0]=4 637 B13R1.3424 Cc1ccc(o1)CN(C)C[N+](=O)[O-] 34a_100000184526_100000761209 [0,1,0,0,0,1|2,0,0]=4 638 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)N 2230a_100000751125_100000747473 [0,1,0,0,0,1|1,1,0]=4 639 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)N 269982a_100000751125_100000187820 [0,1,0,0,0,1|1,1,0]=4 640 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)N 270004a_100000739694_100000211121 [0,1,0,0,0,1|1,1,0]=4 641 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)[O-] 269982a_100000751125_100020667443 [0,1,0,0,0,1|1,1,0]=4 642 B13R1.3424 Cc1ncc(o1)CN(C)CC(=O)N 270004a_100000739694_100000084308 [0,1,0,0,0,1|2,0,0]=4 643 B13R1.25 C#CCN[C@@H](CC)c1ccc(o1)C 2230a_100012022952_100000038162 [0,2,0,0,0,0|1,0,1]=4 644 B13R1.25 C#CCN[C@@H](CC)c1ccc(o1)C 34a_100012022952_100000184674 [0,2,0,0,0,0|1,0,1]=4 645 B13R1.25 C=CCN[C@@H](CC)c1ccc(o1)C 2230a_100012022952_100000210623 [0,2,0,0,0,0|1,0,0]=3 646 B13R1.25 C=CCN[C@@H](CC)c1ccc(o1)C 34a_100012022952_100015514636 [0,2,0,0,0,0|1,0,0]=3 647 B13R1.25 CCC(NCC=O)c1nc(c[nH]1)C 2230a_100015183110_200015260668 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.25 CCC(NCCF)c1ccc(o1)C 269862a_100000724931_100011218535 [0,2,0,0,0,0|1,0,1]=4 649 B13R1.25 CCC(NCCO)c1ccc(o1)C 269862a_100000210304_100011218535 [0,2,0,0,0,0|0,0,2]=4 650 B13R1.25 CCCNC(CC)c1ccc(o1)C 269862a_100020643023_100011218535 [0,2,0,0,0,0|1,0,1]=4 651 B13R1.25 CCCN[C@@H](CC)c1ccc(o1)C 2230a_100012022952_100000210303 [0,2,0,0,0,0|1,0,1]=4 652 B13R1.25 CCCN[C@@H](CC)c1ccc(o1)C 34a_100012022952_100000210303 [0,2,0,0,0,0|1,0,1]=4 653 B13R1.25 CC[C@H](NCC#N)c1ccc(o1)C 2230a_100012022952_100011215382 [0,2,0,0,0,0|1,0,1]=4 654 B13R1.25 CC[C@H](NCC=O)c1ccc(o1)C 2230a_100012022952_200015260668 [0,2,0,0,0,0|0,0,0]=2 655 B13R1.25 CC[C@H](NCC=O)c1ccc(o1)C 34a_100012022952_200009817547 [0,2,0,0,0,0|0,0,0]=2 656 B13R1.25 CC[C@H](NCCF)c1ccc(o1)C 2230a_100012022952_100011217306 [0,2,0,0,0,0|1,0,1]=4 657 B13R1.25 CC[C@H](NCCF)c1ccc(o1)C 34a_100012022952_100011217306 [0,2,0,0,0,0|1,0,1]=4 658 B13R1.25 CC[C@H](NCCO)c1ccc(o1)C 2230a_100012022952_100000211926 [0,2,0,0,0,0|0,0,2]=4 659 B13R1.25 CC[C@H](NCCO)c1ccc(o1)C 34a_100012022952_100000211926 [0,2,0,0,0,0|0,0,2]=4 660 B13R1.25 CC[C@H](NCOC)c1ccc(o1)C 2230a_100012022952_100000766300 [0,2,0,0,0,0|2,0,0]=4 661 B13R1.25 CC[C@H](NCSC)c1ccc(o1)C 2230a_100012022952_100011218213 [0,2,0,0,0,0|2,0,0]=4 662 B13R1.25 CC[C@H](NCSC)c1ccc(o1)C 34a_100012022952_100011218213 [0,2,0,0,0,0|2,0,0]=4 663 B13R1.712 CC[C@H](NC(=O)C)c1ccc(o1)C 11a_100012022952_100015343762 [0,2,0,0,0,0|1,0,0]=3 664 B13R1.712 CC[C@H](NC(=O)C)c1ccc(o1)C 1626a_100012022952_100015343762 [0,2,0,0,0,0|1,0,0]=3 665 B13R1.712 CC[C@H](NC(=O)C)c1ccc(o1)C 240690a_100012022952_100015343762 [0,2,0,0,0,0|1,0,0]=3 666 B13R1.712 CC[C@H](NC(=O)C)c1ccc(o1)C 527a_100012022952_100103153847 [0,2,0,0,0,0|1,0,0]=3 667 B13R1.10 CCC(C)NC(C)c1ccc(o1)C 269862a_100000209981_100000204583 [0,2,0,0,0,0|1,0,1]=4 668 B13R1.10 Cc1ccc(o1)C(C)N[C@H](C)CF 269862a_100102880703_100000204583 [0,2,0,0,0,0|1,0,1]=4 669 B13R1.10 Cc1ccc(o1)C(C)N[C@H](C)CO 269862a_100000737577_100000204583 [0,2,0,0,0,0|0,0,2]=4 670 B13R1.23 C=CCCNC(C)c1ccc(o1)C 269862a_100015191253_100000204583 [0,2,0,0,0,0|1,0,0]=3 671 B13R1.23 C=CCCNC(C)c1ccc(s1)C 269862a_100015191253_100000195387 [0,2,0,0,0,0|1,1,0]=4 672 B13R1.23 CCCCNC(C)c1ccc(o1)C 269862a_100000102301_100000204583 [0,2,0,0,0,0|1,0,1]=4 673 B13R1.23 CCNCCC(C)c1ccc(o1)C 270004a_100015525214_200000043041 [0,2,0,0,0,0|1,0,1]=4 674 B13R1.23 COCCNC(C)c1ccc(o1)C 269862a_100000209980_100000204583 [0,2,0,0,0,0|0,0,2]=4 675 B13R1.23 CSCCNC(C)c1ccc(o1)C 269862a_100020590264_100000204583 [0,2,0,0,0,0|0,1,1]=4 676 B13R1.23 Cc1ccc(o1)C(C)NCCCF 269862a_100015189416_100000204583 [0,2,0,0,0,0|1,0,1]=4 677 B13R1.23 Cc1ccc(o1)C(C)NCCCO 269862a_100000182051_100000204583 [0,2,0,0,0,0|0,0,2]=4 678 B13R1.23 Cc1csc(n1)C(C)CNCC=O 2230a_100000701280_200015260668 [0,2,0,0,0,0|2,0,0]=4 679 B13R1.121 Cc1csc(n1)C(C)(C)OCC=O 7a_100010942429_200015260668 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.129 CC(=O)NCC(C)c1nc(cs1)C 1626a_100000701280_100015343762 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.129 CC(=O)NCC(C)c1nc(cs1)C 240690a_100000701280_100015343762 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.129 CC(=O)NCC(C)c1nc(cs1)C 527a_100000701280_100103153847 [0,2,0,0,0,0|2,0,0]=4 683 B13R1.129 CC(=O)NN=C(C)c1ccc(o1)C 4a_100000189765_100000204583 [0,2,0,0,0,0|1,0,1]=4 684 B13R1.129 CC(NCC(=O)N)c1ccc(s1)Br 2230a_100102723530_100000747473 [0,2,0,0,0,0|1,1,0]=4 685 B13R1.129 CC(NCC(=O)N)c1ccc(s1)Cl 2230a_100102723459_100000747473 [0,2,0,0,0,0|1,1,0]=4 686 B13R1.129 CC(OCC(=O)N)c1ccn(n1)C 34a_100012178569_100000187820 [0,2,0,0,0,0|2,0,0]=4 687 B13R1.129 CC(OCC(=O)[O-])c1ccn(n1)C 34a_100012178569_100020667443 [0,2,0,0,0,0|2,0,0]=4 688 B13R1.129 Cc1c[nH]c(n1)C(C)NCC(=O)N 2230a_103496583476_100000747473 [0,2,0,0,0,0|2,0,0]=4 689 B13R1.129 Cc1ccc(o1)C(C)CCN(C)C 270004a_100102631434_200000043041 [0,2,0,0,0,0|1,0,1]=4 690 B13R1.129 Cc1ccc(o1)C(C)NCC(C)C 269862a_100000210953_100000204583 [0,2,0,0,0,0|1,0,1]=4 691 B13R1.129 Cc1ccc(o1)C(C)NCC(C)O 269862a_100000210904_100000204583 [0,2,0,0,0,0|0,0,2]=4 692 B13R1.129 Cc1csc(n1)C(C)NCC(=O)N 2230a_100015185622_100000747473 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.129 Cc1nc(cs1)C(C)NCC(=O)N 2230a_100000753491_100000747473 [0,2,0,0,0,0|2,0,0]=4 694 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,0,0,1,0,1|2,0,0]=4 695 B13R2.2965 Cc1c[nH]c(n1)SC2CC(=O)C2 62a_100009894365_100161115468 [0,0,0,1,0,1|2,0,0]=4 696 B13R2.2965 Cc1cc(cs1)SC2CC(=O)C2 62a_100009894365_100000759034 [0,0,0,1,0,1|2,0,0]=4 697 B13R2.2965 Cc1ccc(s1)SC2CC(=O)C2 62a_100009894365_100000031368 [0,0,0,1,0,1|0,1,0]=3 698 B13R2.2965 Cc1cnc(s1)SC2CC(=O)C2 62a_100009894365_100000690809 [0,0,0,1,0,1|1,1,0]=4 699 B13R2.2965 Cc1csc(c1)SC2CC(=O)C2 62a_100009894365_100009876951 [0,0,0,1,0,1|2,0,0]=4 700 B13R2.2965 Cc1csc(n1)SC2CC(=O)C2 62a_100009894365_100011291629 [0,0,0,1,0,1|2,0,0]=4 701 B13R2.2965 Cc1nc(c[nH]1)SC2CC(=O)C2 62a_100009894365_100009814057 [0,0,0,1,0,1|2,0,0]=4 702 B13R2.2965 Cc1nc(cs1)SC2CC(=O)C2 62a_100009894365_100011934587 [0,0,0,1,0,1|2,0,0]=4 703 B13R2.2965 Cc1ncc(s1)SC2CC(=O)C2 62a_100009894365_100000764884 [0,0,0,1,0,1|1,1,0]=4 704 B13R2.2965 Cc1nnc(o1)SC2CC(=O)C2 62a_100009894365_100000708914 [0,0,0,1,0,1|2,0,0]=4 705 B13R2.2965 Cn1ccc(n1)SC2CC(=O)C2 62a_100009894365_100000752436 [0,0,0,1,0,1|2,0,0]=4 706 B13R2.2965 O=C1CC(C1)Sc2ccc(s2)Br 62a_100009894365_100010197418 [0,0,0,1,0,1|1,1,0]=4 707 B11R1.30 C=CCN(C)Cc1ccco1 2230a_100000185268_100000210623 [1,0,0,0,0,1|2,0,0]=4 708 B11R1.30 C=CCN(C)Cc1ccco1 269982a_100000185268_100000210623 [1,0,0,0,0,1|2,0,0]=4 709 B11R1.30 C=CCN(C)Cc1ccco1 270004a_100000225617_100000186105 [1,0,0,0,0,1|2,0,0]=4 710 B11R1.30 CC(CC#N)Sc1ccco1 62a_100009813641_100009814098 [1,0,0,0,0,1|1,0,1]=4 711 B11R1.30 CC(CC#N)Sc1ccco1 62a_100009814098_100009813641 [1,0,0,0,0,1|1,0,1]=4 712 B11R1.30 CC(CCO)Sc1ccco1 62a_100009814098_100009893172 [1,0,0,0,0,1|0,0,2]=4 713 B11R1.30 CC(CCO)Sc1ccco1 62a_100009893172_100009814098 [1,0,0,0,0,1|0,0,2]=4 714 B11R1.30 CCCC(C)Sc1ccco1 62a_100000766640_100009814098 [1,0,0,0,0,1|1,0,1]=4 715 B11R1.30 CCCC(C)Sc1ccco1 62a_100009814098_100000766640 [1,0,0,0,0,1|1,0,1]=4 716 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [1,0,0,0,0,1|1,0,0]=3 717 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [1,0,0,0,0,1|1,0,0]=3 718 B11R1.30 CN(CC=O)Cc1cccs1 2230a_100000184426_200015260668 [1,0,0,0,0,1|1,1,0]=4 719 B11R1.30 CN(CC=O)Cc1cccs1 269982a_100000184426_200015260668 [1,0,0,0,0,1|1,1,0]=4 720 B11R1.30 COCC(C)Sc1ccco1 62a_100000765312_100009814098 [1,0,0,0,0,1|2,0,0]=4 721 B11R1.30 COCC(C)Sc1ccco1 62a_100009814098_100000765312 [1,0,0,0,0,1|2,0,0]=4 722 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,0,0,0,0,1|2,0,0]=4 723 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,0,0,0,0,1|2,0,0]=4 724 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,0,0,0,0,1|2,0,0]=4 725 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,0,0,0,0,1|2,0,0]=4 726 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,0,0,0,0,1|2,0,0]=4 727 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [1,0,0,0,0,1|2,0,0]=4 728 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [1,0,0,0,0,1|2,0,0]=4 729 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [1,0,0,0,0,1|2,0,0]=4 730 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [1,0,0,0,0,1|2,0,0]=4 731 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [1,0,0,0,0,1|2,0,0]=4 732 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [1,0,0,0,0,1|2,0,0]=4 733 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [1,0,0,0,0,1|2,0,0]=4 734 B11R1.1 Cc1ccc(nn1)SCC=O 62a_100000744512_200015260668 [1,0,0,0,0,1|2,0,0]=4 735 B11R1.1 Cc1ccc(nn1)SCC=O 62a_200015260668_100000744512 [1,0,0,0,0,1|2,0,0]=4 736 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,0,0,0,0,1|2,0,0]=4 737 B11R1.24 Cc1cc(ccn1)OCC=O 34a_100000688365_200009817547 [1,0,0,0,0,1|2,0,0]=4 738 B11R1.24 Cc1cc(ccn1)SCC=O 62a_100000758586_200015260668 [1,0,0,0,0,1|2,0,0]=4 739 B11R1.24 Cc1cc(ccn1)SCC=O 62a_200015260668_100000758586 [1,0,0,0,0,1|2,0,0]=4 740 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [1,0,0,0,0,1|2,0,0]=4 741 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [1,0,0,0,0,1|2,0,0]=4 742 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [1,0,0,0,0,1|2,0,0]=4 743 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [1,0,0,0,0,1|2,0,0]=4 744 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [1,0,0,0,0,1|2,0,0]=4 745 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [1,0,0,0,0,1|2,0,0]=4 746 B11R1.24 Cc1cccc(n1)SCC=O 62a_100000742759_200015260668 [1,0,0,0,0,1|2,0,0]=4 747 B11R1.24 Cc1cccc(n1)SCC=O 62a_200015260668_100000742759 [1,0,0,0,0,1|2,0,0]=4 748 B11R1.24 Cc1ccnc(c1)SCC=O 62a_100000750283_200015260668 [1,0,0,0,0,1|2,0,0]=4 749 B11R1.24 Cc1ccnc(c1)SCC=O 62a_200015260668_100000750283 [1,0,0,0,0,1|2,0,0]=4 750 B11R1.24 Cc1ccnc(n1)SCC=O 62a_100011243806_200015260668 [1,0,0,0,0,1|2,0,0]=4 751 B11R1.24 Cc1ccnc(n1)SCC=O 62a_200015260668_100011243806 [1,0,0,0,0,1|2,0,0]=4 752 B11R1.24 Cc1cncc(c1)OCC=O 34a_100011830280_200009817547 [1,0,0,0,0,1|2,0,0]=4 753 B11R1.24 Cc1cncc(c1)OCC=O 7a_100011830280_200015260668 [1,0,0,0,0,1|2,0,0]=4 754 B11R1.24 Cc1cncc(c1)SCC=O 62a_100000760492_200015260668 [1,0,0,0,0,1|2,0,0]=4 755 B11R1.24 Cc1cncc(c1)SCC=O 62a_200015260668_100000760492 [1,0,0,0,0,1|2,0,0]=4 756 B11R1.24 Cc1cncc(n1)SCC=O 62a_100000754123_200015260668 [1,0,0,0,0,1|2,0,0]=4 757 B11R1.24 Cc1cncc(n1)SCC=O 62a_200015260668_100000754123 [1,0,0,0,0,1|2,0,0]=4 758 B11R1.24 Cc1nccc(n1)SCC=O 62a_100000749937_200015260668 [1,0,0,0,0,1|2,0,0]=4 759 B11R1.24 Cc1nccc(n1)SCC=O 62a_200015260668_100000749937 [1,0,0,0,0,1|2,0,0]=4 760 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 2230a_100000744650_200015260668 [0,0,0,0,0,2|2,0,0]=4 761 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 269982a_100000744650_200015260668 [0,0,0,0,0,2|2,0,0]=4 762 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 34a_100000744650_200009817547 [0,0,0,0,0,2|2,0,0]=4 763 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 2230a_106623407658_200015260668 [0,0,0,0,0,2|2,0,0]=4 764 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 269982a_106623407658_200015260668 [0,0,0,0,0,2|2,0,0]=4 765 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 34a_106623407658_200009817547 [0,0,0,0,0,2|2,0,0]=4 766 B13R1.19 Cc1ccc(nc1)CN(C)CC=O 2230a_200000717808_200015260668 [0,0,0,0,0,2|2,0,0]=4 767 B13R1.19 Cc1ccc(nc1)CN(C)CC=O 269982a_200000717808_200015260668 [0,0,0,0,0,2|2,0,0]=4 768 B13R1.20 Cc1cccc(c1)CN(C)CC=O 2230a_102495364743_200015260668 [0,0,0,0,0,2|2,0,0]=4 769 B13R1.20 Cc1cccc(c1)CN(C)CC=O 269982a_102495364743_200015260668 [0,0,0,0,0,2|2,0,0]=4 770 B13R1.20 Cc1cccc(c1)CN(C)CC=O 34a_102495364743_200009817547 [0,0,0,0,0,2|2,0,0]=4 771 B13R1.20 Cc1cccc(n1)CN(C)CC=O 2230a_100000687132_200015260668 [0,0,0,0,0,2|2,0,0]=4 772 B13R1.20 Cc1cccc(n1)CN(C)CC=O 269982a_100000687132_200015260668 [0,0,0,0,0,2|2,0,0]=4 773 B13R1.20 Cc1ccnc(c1)CN(C)CC=O 2230a_106354213154_200015260668 [0,0,0,0,0,2|2,0,0]=4 774 B13R1.20 Cc1ccnc(c1)CN(C)CC=O 269982a_106354213154_200015260668 [0,0,0,0,0,2|2,0,0]=4 775 B13R1.41 CCCC(C)NCc1ccc(o1)C 207a_100000741246_100000183696 [0,0,0,0,0,2|1,0,1]=4 776 B13R1.41 CCCC(C)NCc1ccc(o1)C 270004a_100000741246_100000183696 [0,0,0,0,0,2|1,0,1]=4 777 B13R1.41 CCCC(C)NCc1ccc(o1)C 270004a_100011194323_100000211909 [0,0,0,0,0,2|1,0,1]=4 778 B13R1.41 CCCC(C)NCc1ccc(o1)C 34a_100011194323_100000766640 [0,0,0,0,0,2|1,0,1]=4 779 B13R1.41 CCCC(C)OCc1ccc(o1)C 34a_100011232665_100000766640 [0,0,0,0,0,2|1,0,1]=4 780 B13R1.41 CCCC(C)OCc1ccc(o1)C 7a_100011232665_100000766640 [0,0,0,0,0,2|1,0,1]=4 781 B13R1.41 COCC(C)NCc1ccc(o1)C 270004a_100011194323_100000749346 [0,0,0,0,0,2|2,0,0]=4 782 B13R1.41 COCC(C)NCc1ccc(o1)C 34a_100011194323_100000765312 [0,0,0,0,0,2|2,0,0]=4 783 B13R1.41 COCC(C)OCc1ccc(o1)C 34a_100011232665_100000765312 [0,0,0,0,0,2|2,0,0]=4 784 B13R1.41 COCC(C)OCc1ccc(o1)C 7a_100011232665_100000765312 [0,0,0,0,0,2|2,0,0]=4 785 B13R1.41 COC[C@@H](C)NCc1ccc(o1)C 207a_100000764878_100000183696 [0,0,0,0,0,2|2,0,0]=4 786 B13R1.41 COC[C@@H](C)NCc1ccc(o1)C 270004a_100000764878_100000183696 [0,0,0,0,0,2|2,0,0]=4 787 B13R1.41 CSCC(C)NCc1ccc(o1)C 270004a_100011194323_100011216314 [0,0,0,0,0,2|2,0,0]=4 788 B13R1.41 Cc1ccc(o1)CNC(C)CCO 34a_100011194323_100009893172 [0,0,0,0,0,2|0,0,2]=4 789 B13R1.41 Cc1ccc(o1)CN[C@@H](C)CC#N 207a_100016994482_100000183696 [0,0,0,0,0,2|1,0,1]=4 790 B13R1.41 Cc1ccc(o1)CN[C@H](C)CCO 207a_100000706166_100000183696 [0,0,0,0,0,2|0,0,2]=4 791 B13R1.41 Cc1ccc(o1)CN[C@H](C)CCO 270004a_100000706166_100000183696 [0,0,0,0,0,2|0,0,2]=4 792 B13R1.41 Cc1ccc(o1)COC(C)CC#N 7a_100011232665_100009813641 [0,0,0,0,0,2|1,0,1]=4 793 B13R1.41 Cc1ccc(o1)COC(C)CCO 34a_100011232665_100009893172 [0,0,0,0,0,2|0,0,2]=4 794 B13R1.41 Cc1ccc(o1)COC(C)CCO 7a_100011232665_100009893172 [0,0,0,0,0,2|0,0,2]=4