0 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.45 CC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000053229 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,0,0,0,0,0|2,0,0]=2 9 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,0,0,0,0,0|2,0,0]=2 10 B13R1.45 CC(=O)NCC(O)c1ccccn1 240690a_100000691469_100015343762 [0,0,0,0,0,0|3,0,0]=3 11 B13R1.45 CC(=O)NCC(O)c1ccccn1 527a_100000691469_100103153847 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.45 CC(=O)NCC(O)c1cccnc1 240690a_100020605170_100015343762 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.45 CC(=O)NCC(O)c1cccnc1 527a_100020605170_100103153847 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.45 CC(=O)OCN(C)c1ccccc1 269982a_100000210012_100000076356 [0,0,0,0,0,0|3,0,0]=3 15 B13R1.45 CC(=O)OCN(C)c1ccccc1 34a_100000210012_100009813279 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [0,0,0,0,0,0|3,0,1]=4 17 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [0,0,0,0,0,0|3,0,1]=4 18 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [0,0,0,0,0,0|3,0,1]=4 19 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [0,0,0,0,0,0|3,0,1]=4 21 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,0,0,0,0,0|3,0,1]=4 22 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,0,0,0,0,0|3,0,1]=4 23 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,0,0,0,0,0|2,0,1]=3 25 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,0,0,0,0,0|3,0,1]=4 26 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,0,0,0,0,0|2,0,1]=3 27 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [0,0,0,0,0,0|2,1,1]=4 28 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [0,0,0,0,0,0|2,1,1]=4 29 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [0,0,0,0,0,0|2,1,1]=4 30 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [0,0,0,0,0,0|2,1,1]=4 31 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [0,0,0,0,0,0|3,0,0]=3 32 B13R1.45 CC(NCC(=O)N)c1ccccn1 2230a_100000181244_100000747473 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.45 CC(NCC(=O)N)c1cccnc1 2230a_100000195435_100000747473 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.45 CC(NCC(=O)N)c1ccncc1 2230a_100000181269_100000747473 [0,0,0,0,0,0|4,0,0]=4 35 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [0,0,0,0,0,0|3,0,0]=3 37 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [0,0,0,0,0,0|3,0,0]=3 38 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100000230085_100020667443 [0,0,0,0,0,0|4,0,0]=4 39 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000230085 [0,0,0,0,0,0|4,0,0]=4 40 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,0,0,0,0,0|4,0,0]=4 43 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,0,0,0,0,0|4,0,0]=4 44 B13R1.45 CN(CCC(=O)N)c1ccccc1 2230a_100000210012_100000744528 [0,0,0,0,0,0|3,0,0]=3 45 B13R1.45 CN(CCC(=O)N)c1ccccc1 269982a_100000210012_100000744528 [0,0,0,0,0,0|3,0,0]=3 46 B13R1.45 CN(CCC(=O)N)c1ccccc1 34a_100000210012_100000731001 [0,0,0,0,0,0|3,0,0]=3 47 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,0,0,0,0,0|4,0,0]=4 48 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,0,0,0,0,0|4,0,0]=4 49 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [0,0,0,0,0,0|3,0,0]=3 50 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,0,0,0,0,0|3,0,0]=3 51 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,0,0,0,0,0|3,0,0]=3 52 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [0,0,0,0,0,0|4,0,0]=4 53 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,0,0,0,0,0|2,0,2]=4 54 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,0,0,0,0,0|2,0,2]=4 55 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,0,0,0,0,0|2,0,2]=4 56 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [1,0,0,0,0,0|2,0,1]=4 57 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [1,0,0,0,0,0|3,0,0]=4 60 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [1,0,0,0,0,0|2,0,1]=4 61 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [1,0,0,0,0,0|2,0,1]=4 62 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [1,0,0,0,0,0|2,0,1]=4 63 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [1,0,0,0,0,0|2,0,1]=4 64 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [1,0,0,0,0,0|2,0,1]=4 65 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [1,0,0,0,0,0|2,0,1]=4 66 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [1,0,0,0,0,0|1,0,1]=3 67 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [1,0,0,0,0,0|2,0,1]=4 68 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [1,0,0,0,0,0|1,0,1]=3 69 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [1,0,0,0,0,0|1,1,1]=4 70 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [1,0,0,0,0,0|1,1,1]=4 71 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [1,0,0,0,0,0|1,1,1]=4 72 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [1,0,0,0,0,0|1,1,1]=4 73 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [1,0,0,0,0,0|3,0,0]=4 75 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [1,0,0,0,0,0|3,0,0]=4 76 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [1,0,0,0,0,0|3,0,0]=4 77 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [1,0,0,0,0,0|3,0,0]=4 78 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [1,0,0,0,0,0|3,0,0]=4 79 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [1,0,0,0,0,0|3,0,0]=4 80 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,0,0,0,0,0|3,0,0]=4 81 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [1,0,0,0,0,0|3,0,0]=4 82 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [1,0,0,0,0,0|3,0,0]=4 83 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [1,0,0,0,0,0|2,0,1]=4 84 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [1,0,0,0,0,0|1,1,1]=4 85 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [1,0,0,0,0,0|1,1,1]=4 86 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [1,0,0,0,0,0|1,1,1]=4 87 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [1,0,0,0,0,0|1,1,1]=4 88 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [1,0,0,0,0,0|3,0,0]=4 90 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [1,0,0,0,0,0|3,0,0]=4 91 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,0,0,0,0,0|2,0,0]=3 92 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,0,0,0,0,0|2,0,0]=3 93 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [1,0,0,0,0,0|3,0,0]=4 94 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [1,0,0,0,0,0|3,0,0]=4 95 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,0,0,0,0,0|3,0,0]=4 96 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,0,0,0,0,0|3,0,0]=4 97 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,0,0,0,0,0|3,0,0]=4 98 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,0,0,0,0,0|3,0,0]=4 99 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,0,0,0,0,0|3,0,0]=4 100 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,0,0,0,0,0|3,0,0]=4 101 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,0,0,0,0,0|3,0,0]=4 102 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,0,0,0,0,0|3,0,0]=4 103 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,0,0,0,0,0|3,0,0]=4 104 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [1,0,0,0,0,0|3,0,0]=4 105 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,0,0,0,0,0|2,0,0]=3 107 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,0,0,0,0,0|2,0,0]=3 108 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,0,0,0,0,0|2,0,0]=3 109 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,0,0,0,0,0|2,0,0]=3 110 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [1,0,0,0,0,0|3,0,0]=4 111 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [1,0,0,0,0,0|3,0,0]=4 112 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [1,0,0,0,0,0|3,0,0]=4 113 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [1,0,0,0,0,0|3,0,0]=4 114 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [1,0,0,0,0,0|3,0,0]=4 115 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [1,0,0,0,0,0|3,0,0]=4 116 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [1,0,0,0,0,0|3,0,0]=4 117 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [1,0,0,0,0,0|3,0,0]=4 118 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [1,0,0,0,0,0|3,0,0]=4 119 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [1,0,0,0,0,0|3,0,0]=4 120 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [1,0,0,0,0,0|3,0,0]=4 121 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [1,0,0,0,0,0|3,0,0]=4 122 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [1,0,0,0,0,0|3,0,0]=4 123 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [1,0,0,0,0,0|2,0,0]=3 124 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [1,0,0,0,0,0|2,0,0]=3 125 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [1,0,0,0,0,0|3,0,0]=4 126 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [1,0,0,0,0,0|3,0,0]=4 127 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [1,0,0,0,0,0|2,0,0]=3 128 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [1,0,0,0,0,0|2,0,0]=3 129 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [1,0,0,0,0,0|3,0,0]=4 130 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [1,0,0,0,0,0|3,0,0]=4 131 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [1,0,0,0,0,0|3,0,0]=4 132 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [1,0,0,0,0,0|3,0,0]=4 133 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [1,0,0,0,0,0|3,0,0]=4 134 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [1,0,0,0,0,0|3,0,0]=4 135 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [1,0,0,0,0,0|2,0,1]=4 136 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [1,0,0,0,0,0|2,0,1]=4 137 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [1,0,0,0,0,0|2,0,1]=4 138 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [1,0,0,0,0,0|2,0,0]=3 139 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [1,0,0,0,0,0|2,0,0]=3 140 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [1,0,0,0,0,0|2,0,0]=3 141 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [1,0,0,0,0,0|3,0,0]=4 142 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [1,0,0,0,0,0|3,0,0]=4 143 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [1,0,0,0,0,0|3,0,0]=4 144 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [1,0,0,0,0,0|2,0,0]=3 145 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [1,0,0,0,0,0|2,0,0]=3 146 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [1,0,0,0,0,0|3,0,0]=4 147 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [1,0,0,0,0,0|3,0,0]=4 148 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [1,0,0,0,0,0|3,0,0]=4 149 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [1,0,0,0,0,0|3,0,0]=4 150 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [1,0,0,0,0,0|3,0,0]=4 151 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [1,0,0,0,0,0|3,0,0]=4 152 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [1,0,0,0,0,0|2,0,0]=3 153 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [1,0,0,0,0,0|2,0,0]=3 154 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [1,0,0,0,0,0|2,0,0]=3 155 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [1,0,0,0,0,0|3,0,0]=4 156 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [1,0,0,0,0,0|3,0,0]=4 157 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [1,0,0,0,0,0|3,0,0]=4 158 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [1,0,0,0,0,0|2,0,0]=3 159 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [1,0,0,0,0,0|2,0,0]=3 160 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [1,0,0,0,0,0|2,0,0]=3 161 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [1,0,0,0,0,0|2,0,0]=3 162 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [1,0,0,0,0,0|3,0,0]=4 163 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [1,0,0,0,0,0|3,0,0]=4 164 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [1,0,0,0,0,0|3,0,0]=4 165 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [1,0,0,0,0,0|3,0,0]=4 166 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [1,0,0,0,0,0|3,0,0]=4 167 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [1,0,0,0,0,0|3,0,0]=4 168 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,0,0,0,0,0|3,0,0]=4 169 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [1,0,0,0,0,0|3,0,0]=4 170 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [1,0,0,0,0,0|3,0,0]=4 171 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [1,0,0,0,0,0|3,0,0]=4 172 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [1,0,0,0,0,0|3,0,0]=4 173 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,0,0,0,0,0|2,0,0]=3 174 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [1,0,0,0,0,0|3,0,0]=4 175 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [1,0,0,0,0,0|3,0,0]=4 176 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,0,0,0,0,0|3,0,0]=4 177 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_100015343762 [0,1,0,0,0,0|2,0,0]=3 181 B14R1.149 CC(=O)NCC(O)c1cccc(c1)O 527a_100020657549_100103153847 [0,1,0,0,0,0|2,0,0]=3 182 B14R1.149 CC(=O)OCN(C)c1cccc(c1)Br 269982a_100000219648_100000076356 [0,1,0,0,0,0|3,0,0]=4 183 B14R1.149 CC(=O)OCN(C)c1cccc(c1)Br 34a_100000219648_100009813279 [0,1,0,0,0,0|3,0,0]=4 184 B14R1.149 CC(=O)OCN(C)c1cccc(c1)C 269982a_100000219674_100000076356 [0,1,0,0,0,0|3,0,0]=4 185 B14R1.149 CC(=O)OCN(C)c1cccc(c1)C 34a_100000219674_100009813279 [0,1,0,0,0,0|3,0,0]=4 186 B14R1.149 CC(=O)OCN(C)c1cccc(c1)Cl 269982a_100000220044_100000076356 [0,1,0,0,0,0|3,0,0]=4 187 B14R1.149 CC(=O)OCN(C)c1cccc(c1)Cl 34a_100000220044_100009813279 [0,1,0,0,0,0|3,0,0]=4 188 B14R1.149 CC(=O)OCN(C)c1cccc(c1)F 269982a_100020633736_100000076356 [0,1,0,0,0,0|3,0,0]=4 189 B14R1.149 CC(=O)OCN(C)c1cccc(c1)F 34a_100020633736_100009813279 [0,1,0,0,0,0|3,0,0]=4 190 B14R1.149 CC(=O)OCN(C)c1cccc(c1)I 269982a_100000221217_100000076356 [0,1,0,0,0,0|3,0,0]=4 191 B14R1.149 CC(=O)OCN(C)c1cccc(c1)I 34a_100000221217_100009813279 [0,1,0,0,0,0|3,0,0]=4 192 B14R1.149 CC(=O)OCN(C)c1cccc(c1)O 269982a_100000756613_100000076356 [0,1,0,0,0,0|3,0,0]=4 193 B14R1.149 CC(=O)OCN(C)c1cccc(c1)O 34a_100000756613_100009813279 [0,1,0,0,0,0|3,0,0]=4 194 B14R1.149 CC(NCC(=O)N)c1cccc(c1)Br 2230a_100020642005_100000747473 [0,1,0,0,0,0|3,0,0]=4 195 B14R1.149 CC(NCC(=O)N)c1cccc(c1)Cl 2230a_100102723534_100000747473 [0,1,0,0,0,0|3,0,0]=4 196 B14R1.149 CC(NCC(=O)N)c1cccc(c1)Cl 34a_100102723534_100000187820 [0,1,0,0,0,0|3,0,0]=4 197 B14R1.149 CC(NCC(=O)N)c1cccc(c1)O 2230a_100000740644_100000747473 [0,1,0,0,0,0|3,0,0]=4 198 B14R1.149 CC(OCC(=O)N)c1cccc(c1)Br 34a_100000246457_100000187820 [0,1,0,0,0,0|3,0,0]=4 199 B14R1.149 CC(OCC(=O)N)c1cccc(c1)Br 7a_100000246457_100000187820 [0,1,0,0,0,0|3,0,0]=4 200 B14R1.149 CC(OCC(=O)N)c1cccc(c1)F 34a_100000744526_100000187820 [0,1,0,0,0,0|3,0,0]=4 201 B14R1.149 CC(OCC(=O)N)c1cccc(c1)F 7a_100000744526_100000187820 [0,1,0,0,0,0|3,0,0]=4 202 B14R1.149 CC(OCC(=O)N)c1cccc(c1)I 34a_100013085317_100000187820 [0,1,0,0,0,0|3,0,0]=4 203 B14R1.149 CC(OCC(=O)N)c1cccc(c1)I 7a_100013085317_100000187820 [0,1,0,0,0,0|3,0,0]=4 204 B14R1.149 CC(OCC(=O)N)c1cccc(c1)N 34a_100011217120_100000187820 [0,1,0,0,0,0|3,0,0]=4 205 B14R1.149 CC(OCC(=O)N)c1cccc(c1)N 7a_100011217120_100000187820 [0,1,0,0,0,0|3,0,0]=4 206 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Br 2230a_100000219648_100000744528 [0,1,0,0,0,0|3,0,0]=4 207 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Br 269982a_100000219648_100000744528 [0,1,0,0,0,0|3,0,0]=4 208 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Br 34a_100000219648_100000731001 [0,1,0,0,0,0|3,0,0]=4 209 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Cl 2230a_100000220044_100000744528 [0,1,0,0,0,0|3,0,0]=4 210 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Cl 269982a_100000220044_100000744528 [0,1,0,0,0,0|3,0,0]=4 211 B14R1.149 CN(CCC(=O)N)c1cccc(c1)Cl 34a_100000220044_100000731001 [0,1,0,0,0,0|3,0,0]=4 212 B14R1.149 CN(CCC(=O)N)c1cccc(c1)F 2230a_100020633736_100000744528 [0,1,0,0,0,0|3,0,0]=4 213 B14R1.149 CN(CCC(=O)N)c1cccc(c1)F 269982a_100020633736_100000744528 [0,1,0,0,0,0|3,0,0]=4 214 B14R1.149 CN(CCC(=O)N)c1cccc(c1)F 34a_100020633736_100000731001 [0,1,0,0,0,0|3,0,0]=4 215 B14R1.149 CN(CCC(=O)N)c1cccc(c1)I 2230a_100000221217_100000744528 [0,1,0,0,0,0|3,0,0]=4 216 B14R1.149 CN(CCC(=O)N)c1cccc(c1)I 269982a_100000221217_100000744528 [0,1,0,0,0,0|3,0,0]=4 217 B14R1.149 CN(CCC(=O)N)c1cccc(c1)I 34a_100000221217_100000731001 [0,1,0,0,0,0|3,0,0]=4 218 B14R1.149 CN(CCC(=O)N)c1cccc(c1)O 2230a_100000756613_100000744528 [0,1,0,0,0,0|3,0,0]=4 219 B14R1.149 CN(CCC(=O)N)c1cccc(c1)O 269982a_100000756613_100000744528 [0,1,0,0,0,0|3,0,0]=4 220 B14R1.149 CN(CCC(=O)N)c1cccc(c1)O 34a_100000756613_100000731001 [0,1,0,0,0,0|3,0,0]=4 221 B14R1.149 C[C@@H](NCC(=O)N)c1cccc(c1)F 2230a_100015193778_100000747473 [0,1,0,0,0,0|3,0,0]=4 222 B14R1.149 C[C@@H](NCC(=O)N)c1cccc(c1)F 34a_100015193778_100000187820 [0,1,0,0,0,0|3,0,0]=4 223 B14R1.149 C[C@@H](OCC(=O)N)c1cccc(c1)Cl 34a_100000747380_100000187820 [0,1,0,0,0,0|3,0,0]=4 224 B14R1.149 C[C@@H](OCC(=O)N)c1cccc(c1)Cl 7a_100000747380_100000187820 [0,1,0,0,0,0|3,0,0]=4 225 B14R1.149 Cc1cccc(c1)C(C)OCC(=O)N 34a_100000757818_100000187820 [0,1,0,0,0,0|3,0,0]=4 226 B14R1.149 Cc1cccc(c1)C(C)OCC(=O)N 7a_100000757818_100000187820 [0,1,0,0,0,0|3,0,0]=4 227 B14R1.149 Cc1cccc(c1)N(C)CCC(=O)N 2230a_100000219674_100000744528 [0,1,0,0,0,0|3,0,0]=4 228 B14R1.149 Cc1cccc(c1)N(C)CCC(=O)N 269982a_100000219674_100000744528 [0,1,0,0,0,0|3,0,0]=4 229 B14R1.149 Cc1cccc(c1)N(C)CCC(=O)N 34a_100000219674_100000731001 [0,1,0,0,0,0|3,0,0]=4 230 B14R1.149 Cc1cccc(c1)[C@@H](C)NCC(=O)N 2230a_100000698126_100000747473 [0,1,0,0,0,0|3,0,0]=4 231 B14R1.149 Cc1cccc(c1)[C@@H](C)NCC(=O)N 34a_100000698126_100000187820 [0,1,0,0,0,0|3,0,0]=4 232 B14R1.160 CC(=O)NCC(O)c1ccccc1Br 240690a_100011236429_100015343762 [0,1,0,0,0,0|2,0,0]=3 233 B14R1.160 CC(=O)NCC(O)c1ccccc1Br 527a_100011236429_100103153847 [0,1,0,0,0,0|2,0,0]=3 234 B14R1.160 CC(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_100015343762 [0,1,0,0,0,0|2,0,0]=3 235 B14R1.160 CC(=O)NCC(O)c1ccccc1Cl 527a_200000759403_100103153847 [0,1,0,0,0,0|2,0,0]=3 236 B14R1.160 CC(=O)OCN(C)c1ccccc1Br 269982a_100020606079_100000076356 [0,1,0,0,0,0|3,0,0]=4 237 B14R1.160 CC(=O)OCN(C)c1ccccc1Br 34a_100020606079_100009813279 [0,1,0,0,0,0|3,0,0]=4 238 B14R1.160 CC(=O)OCN(C)c1ccccc1C 269982a_100000219699_100000076356 [0,1,0,0,0,0|3,0,0]=4 239 B14R1.160 CC(=O)OCN(C)c1ccccc1C 34a_100000219699_100009813279 [0,1,0,0,0,0|3,0,0]=4 240 B14R1.160 CC(=O)OCN(C)c1ccccc1Cl 269982a_100000219374_100000076356 [0,1,0,0,0,0|3,0,0]=4 241 B14R1.160 CC(=O)OCN(C)c1ccccc1Cl 34a_100000219374_100009813279 [0,1,0,0,0,0|3,0,0]=4 242 B14R1.160 CC(=O)OCN(C)c1ccccc1F 269982a_100000220357_100000076356 [0,1,0,0,0,0|3,0,0]=4 243 B14R1.160 CC(=O)OCN(C)c1ccccc1F 34a_100000220357_100009813279 [0,1,0,0,0,0|3,0,0]=4 244 B14R1.160 CC(=O)OCN(C)c1ccccc1O 269982a_100000033821_100000076356 [0,1,0,0,0,0|3,0,0]=4 245 B14R1.160 CC(NCC(=O)N)c1ccccc1Br 2230a_100000181357_100000747473 [0,1,0,0,0,0|3,0,0]=4 246 B14R1.160 CC(NCC(=O)N)c1ccccc1Cl 2230a_100000174978_100000747473 [0,1,0,0,0,0|3,0,0]=4 247 B14R1.160 CC(NCC(=O)N)c1ccccc1Cl 2230a_100000711301_100000181259 [0,1,0,0,0,0|3,0,0]=4 248 B14R1.160 CC(NCC(=O)N)c1ccccc1Cl 34a_100000174978_100000187820 [0,1,0,0,0,0|3,0,0]=4 249 B14R1.160 CC(NCC(=O)N)c1ccccc1F 2230a_100000181408_100000747473 [0,1,0,0,0,0|3,0,0]=4 250 B14R1.160 CC(NCC(=O)N)c1ccccc1F 2230a_100000711301_200000741388 [0,1,0,0,0,0|3,0,0]=4 251 B14R1.160 CC(NCC(=O)N)c1ccccc1F 34a_100000181408_100000187820 [0,1,0,0,0,0|3,0,0]=4 252 B14R1.160 CC(OCC(=O)N)c1ccccc1Br 34a_100000702211_100000187820 [0,1,0,0,0,0|3,0,0]=4 253 B14R1.160 CC(OCC(=O)N)c1ccccc1Br 7a_100000702211_100000187820 [0,1,0,0,0,0|3,0,0]=4 254 B14R1.160 CC(OCC(=O)N)c1ccccc1Cl 34a_100000740796_100000187820 [0,1,0,0,0,0|3,0,0]=4 255 B14R1.160 CC(OCC(=O)N)c1ccccc1Cl 7a_100000740796_100000187820 [0,1,0,0,0,0|3,0,0]=4 256 B14R1.160 CC(OCC(=O)N)c1ccccc1F 34a_100000697922_100000187820 [0,1,0,0,0,0|3,0,0]=4 257 B14R1.160 CC(OCC(=O)N)c1ccccc1F 7a_100000697922_100000187820 [0,1,0,0,0,0|3,0,0]=4 258 B14R1.160 CC(OCC(=O)N)c1ccccc1N 7a_100011405641_100000187820 [0,1,0,0,0,0|3,0,0]=4 259 B14R1.160 CC(SCC(=O)N)c1ccccc1Cl 62a_100000181259_100000747473 [0,1,0,0,0,0|3,0,0]=4 260 B14R1.160 CC(SCC(=O)N)c1ccccc1Cl 62a_100000747473_100000181259 [0,1,0,0,0,0|3,0,0]=4 261 B14R1.160 CC(SCC(=O)N)c1ccccc1F 62a_100000747473_200000741388 [0,1,0,0,0,0|3,0,0]=4 262 B14R1.160 CC(SCC(=O)N)c1ccccc1F 62a_200000741388_100000747473 [0,1,0,0,0,0|3,0,0]=4 263 B14R1.160 CN(CCC(=O)N)c1ccccc1Br 2230a_100020606079_100000744528 [0,1,0,0,0,0|3,0,0]=4 264 B14R1.160 CN(CCC(=O)N)c1ccccc1Br 269982a_100020606079_100000744528 [0,1,0,0,0,0|3,0,0]=4 265 B14R1.160 CN(CCC(=O)N)c1ccccc1Br 34a_100020606079_100000731001 [0,1,0,0,0,0|3,0,0]=4 266 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 2230a_100000219374_100000744528 [0,1,0,0,0,0|3,0,0]=4 267 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 269982a_100000219374_100000744528 [0,1,0,0,0,0|3,0,0]=4 268 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 269982a_100000231022_200000210301 [0,1,0,0,0,0|3,0,0]=4 269 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 34a_100000219374_100000731001 [0,1,0,0,0,0|3,0,0]=4 270 B14R1.160 CN(CCC(=O)N)c1ccccc1Cl 34a_100000231022_200000210301 [0,1,0,0,0,0|3,0,0]=4 271 B14R1.160 CN(CCC(=O)N)c1ccccc1F 2230a_100000220357_100000744528 [0,1,0,0,0,0|3,0,0]=4 272 B14R1.160 CN(CCC(=O)N)c1ccccc1F 269982a_100000220357_100000744528 [0,1,0,0,0,0|3,0,0]=4 273 B14R1.160 CN(CCC(=O)N)c1ccccc1F 34a_100000220357_100000731001 [0,1,0,0,0,0|3,0,0]=4 274 B14R1.160 CN(CCC(=O)N)c1ccccc1O 269982a_100000033821_100000744528 [0,1,0,0,0,0|3,0,0]=4 275 B14R1.160 C[C@@H](NCC(=O)N)c1ccccc1O 2230a_100025703389_100000747473 [0,1,0,0,0,0|3,0,0]=4 276 B14R1.160 Cc1ccccc1C(C)NCC(=O)N 2230a_100000181355_100000747473 [0,1,0,0,0,0|3,0,0]=4 277 B14R1.160 Cc1ccccc1C(C)NCC(=O)N 34a_100000181355_100000187820 [0,1,0,0,0,0|3,0,0]=4 278 B14R1.160 Cc1ccccc1C(C)OCC(=O)N 34a_100000742021_100000187820 [0,1,0,0,0,0|3,0,0]=4 279 B14R1.160 Cc1ccccc1C(C)OCC(=O)N 7a_100000742021_100000187820 [0,1,0,0,0,0|3,0,0]=4 280 B14R1.160 Cc1ccccc1N(C)CCC(=O)N 2230a_100000219699_100000744528 [0,1,0,0,0,0|3,0,0]=4 281 B14R1.160 Cc1ccccc1N(C)CCC(=O)N 269982a_100000219699_100000744528 [0,1,0,0,0,0|3,0,0]=4 282 B14R1.160 Cc1ccccc1N(C)CCC(=O)N 34a_100000219699_100000731001 [0,1,0,0,0,0|3,0,0]=4 283 B14R1.160 [13CH3]N(CCC(=O)N)c1ccccc1Cl 269982a_100000231022_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B14R1.160 [13CH3]N(CCC(=O)N)c1ccccc1Cl 34a_100000231022_200025704644 [0,1,0,0,0,0|3,0,0]=4 285 B14R1.163 C#CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000211873_100000729684 [0,1,0,0,0,0|2,0,0]=3 286 B14R1.163 C#C[C@@H](C)OCC(O)c1ccccc1 34a_100009815206_100000185958 [0,1,0,0,0,0|2,0,1]=4 287 B14R1.163 C#C[C@@H](C)OCC(O)c1ccccc1 7a_100009815206_100000185958 [0,1,0,0,0,0|2,0,1]=4 288 B14R1.163 C#C[C@@H](C)OC[C@@H](O)c1ccccc1 34a_100009815206_100011933945 [0,1,0,0,0,0|2,0,1]=4 289 B14R1.163 C#C[C@@H](C)OC[C@@H](O)c1ccccc1 7a_100009815206_100011933945 [0,1,0,0,0,0|2,0,1]=4 290 B14R1.163 C=CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000185746_100000729684 [0,1,0,0,0,0|2,0,0]=3 291 B14R1.163 C=CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000185746 [0,1,0,0,0,0|3,0,0]=4 292 B14R1.163 C=CC(=O)NCC(C)c1ccccc1 240690a_100000701038_200121576911 [0,1,0,0,0,0|3,0,0]=4 293 B14R1.163 C=CC(=O)NCC(O)c1ccccc1 240690a_100000210709_200121576911 [0,1,0,0,0,0|2,0,0]=3 294 B14R1.163 C=CC(=O)NCC(O)c1ccccn1 240690a_100000691469_200121576911 [0,1,0,0,0,0|3,0,0]=4 295 B14R1.163 C=CC(=O)NCC(O)c1cccnc1 240690a_100020605170_200121576911 [0,1,0,0,0,0|3,0,0]=4 296 B14R1.163 C=CC(C)OCC(O)c1ccccc1 34a_100000695699_100000185958 [0,1,0,0,0,0|2,0,1]=4 297 B14R1.163 C=CC(C)OC[C@@H](O)c1ccccc1 34a_100000695699_100011933945 [0,1,0,0,0,0|2,0,1]=4 298 B14R1.163 CC(C#N)OCC(O)c1ccccc1 34a_100011218135_100000185958 [0,1,0,0,0,0|1,0,2]=4 299 B14R1.163 CC(C#N)OC[C@@H](O)c1ccccc1 34a_100011218135_100011933945 [0,1,0,0,0,0|1,0,2]=4 300 B14R1.163 CC(CF)OCC(O)c1ccccc1 34a_100016041109_100000185958 [0,1,0,0,0,0|2,0,1]=4 301 B14R1.163 CC(CF)OCC(O)c1ccccc1 7a_100016041109_100000185958 [0,1,0,0,0,0|2,0,1]=4 302 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 34a_100016041109_100011933945 [0,1,0,0,0,0|2,0,1]=4 303 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 7a_100016041109_100011933945 [0,1,0,0,0,0|2,0,1]=4 304 B14R1.163 CC(CN)OCC(C)c1ccccc1 34a_100000210904_100000756946 [0,1,0,0,0,0|2,0,1]=4 305 B14R1.163 CC(CN)OCC(O)c1ccccc1 34a_100000210904_100000185958 [0,1,0,0,0,0|1,0,1]=3 306 B14R1.163 CC(CN)OC[C@@H](O)c1ccccc1 34a_100000210904_100011933945 [0,1,0,0,0,0|1,0,1]=3 307 B14R1.163 CC(CNC(=O)CO)c1ccccc1 240690a_100000701038_100000210174 [0,1,0,0,0,0|3,0,0]=4 308 B14R1.163 CC(CNC(=O)CO)c1ccccc1 527a_100000701038_100000210174 [0,1,0,0,0,0|3,0,0]=4 309 B14R1.163 CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210414_100000729684 [0,1,0,0,0,0|2,0,0]=3 310 B14R1.163 CCC(=O)NCC(C)c1ccccc1 11a_100000701038_100000210414 [0,1,0,0,0,0|3,0,0]=4 311 B14R1.163 CCC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000210414 [0,1,0,0,0,0|3,0,0]=4 312 B14R1.163 CCC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000210414 [0,1,0,0,0,0|3,0,0]=4 313 B14R1.163 CCC(=O)NCC(C)c1ccccc1 527a_100000701038_100000210414 [0,1,0,0,0,0|3,0,0]=4 314 B14R1.163 CCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210414 [0,1,0,0,0,0|2,0,0]=3 315 B14R1.163 CCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210414 [0,1,0,0,0,0|2,0,0]=3 316 B14R1.163 CCC(=O)NCC(O)c1ccccn1 240690a_100000691469_100000210414 [0,1,0,0,0,0|3,0,0]=4 317 B14R1.163 CCC(=O)NCC(O)c1ccccn1 527a_100000691469_100000210414 [0,1,0,0,0,0|3,0,0]=4 318 B14R1.163 CCC(=O)NCC(O)c1cccnc1 240690a_100020605170_100000210414 [0,1,0,0,0,0|3,0,0]=4 319 B14R1.163 CCC(=O)NCC(O)c1cccnc1 527a_100020605170_100000210414 [0,1,0,0,0,0|3,0,0]=4 320 B14R1.163 CCC(C)OCC(O)c1ccccc1 7a_100000210228_100000185958 [0,1,0,0,0,0|2,0,1]=4 321 B14R1.163 CCC(C)OC[C@@H](O)c1ccccc1 7a_100000210228_100011933945 [0,1,0,0,0,0|2,0,1]=4 322 B14R1.163 CNC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000737683 [0,1,0,0,0,0|3,0,0]=4 323 B14R1.163 CNC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000737683 [0,1,0,0,0,0|3,0,0]=4 324 B14R1.163 CNC(=O)CCN(C)c1ccccc1 34a_100000210012_100012179268 [0,1,0,0,0,0|3,0,0]=4 325 B14R1.163 CNC(=O)CNC(C)c1ccccc1 2230a_100000693194_100000230085 [0,1,0,0,0,0|3,0,0]=4 326 B14R1.163 CNC(=O)CNC(C)c1ccccc1 269862a_100000693194_100000185851 [0,1,0,0,0,0|3,0,0]=4 327 B14R1.163 CNC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000183359 [0,1,0,0,0,0|3,0,0]=4 328 B14R1.163 CNC(=O)COC(C)c1ccccc1 34a_100000750040_100000211855 [0,1,0,0,0,0|3,0,0]=4 329 B14R1.163 CNC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000183359 [0,1,0,0,0,0|3,0,0]=4 330 B14R1.163 CNC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000183359 [0,1,0,0,0,0|3,0,0]=4 331 B14R1.163 CNC(=O)CSC(C)c1ccccc1 62a_100000183359_100000230085 [0,1,0,0,0,0|3,0,0]=4 332 B14R1.163 CNC(=O)CSC(C)c1ccccc1 62a_100000230085_100000183359 [0,1,0,0,0,0|3,0,0]=4 333 B14R1.163 CNC(=O)NCC(C)c1ccccc1 2708a_100000701038_106832991635 [0,1,0,0,0,0|2,0,0]=3 334 B14R1.163 CNC(=O)NCC(C)c1ccccc1 2708a_100102657272_100000701038 [0,1,0,0,0,0|2,0,0]=3 335 B14R1.163 CNC(=O)NCC(C)c1ccccc1 273464a_100000701038_100102657272 [0,1,0,0,0,0|2,0,0]=3 336 B14R1.163 CNC(=O)NCC(C)c1ccccc1 273464a_100102657272_100000701038 [0,1,0,0,0,0|2,0,0]=3 337 B14R1.163 CNC(=O)NCC(C)c1ccccc1 512a_106832991638_100000701038 [0,1,0,0,0,0|2,0,0]=3 338 B14R1.163 CNC(=O)NCC(O)c1ccccc1 2708a_100102657272_100000210709 [0,1,0,0,0,0|1,0,0]=2 339 B14R1.163 CNC(=O)NCC(O)c1ccccc1 273464a_100000210709_100102657272 [0,1,0,0,0,0|1,0,0]=2 340 B14R1.163 CNC(=O)NCC(O)c1ccccc1 273464a_100102657272_100000210709 [0,1,0,0,0,0|1,0,0]=2 341 B14R1.163 CNC(=O)NCC(O)c1ccccc1 512a_106832991638_100000210709 [0,1,0,0,0,0|1,0,0]=2 342 B14R1.163 CNC(=O)NCC(O)c1ccccn1 2708a_100102657272_100000691469 [0,1,0,0,0,0|2,0,0]=3 343 B14R1.163 CNC(=O)NCC(O)c1ccccn1 273464a_100000691469_100102657272 [0,1,0,0,0,0|2,0,0]=3 344 B14R1.163 CNC(=O)NCC(O)c1ccccn1 273464a_100102657272_100000691469 [0,1,0,0,0,0|2,0,0]=3 345 B14R1.163 CNC(=O)NCC(O)c1ccccn1 512a_106832991638_100000691469 [0,1,0,0,0,0|2,0,0]=3 346 B14R1.163 CNC(=O)NCC(O)c1cccnc1 2708a_100102657272_100020605170 [0,1,0,0,0,0|2,0,0]=3 347 B14R1.163 CNC(=O)NCC(O)c1cccnc1 273464a_100102657272_100020605170 [0,1,0,0,0,0|2,0,0]=3 348 B14R1.163 CNC(=O)NCC(O)c1cccnc1 512a_106832991638_100020605170 [0,1,0,0,0,0|2,0,0]=3 349 B14R1.163 O=C(CO)CC[C@@H](O)c1ccccc1 1458a_100000210174_100000729684 [0,1,0,0,0,0|2,0,0]=3 350 B14R1.163 O=C(CO)NCC(O)c1ccccc1 240690a_100000210709_100000210174 [0,1,0,0,0,0|2,0,0]=3 351 B14R1.163 O=C(CO)NCC(O)c1ccccc1 527a_100000210709_100000210174 [0,1,0,0,0,0|2,0,0]=3 352 B14R1.163 O=C(CO)NCC(O)c1ccccn1 240690a_100000691469_100000210174 [0,1,0,0,0,0|3,0,0]=4 353 B14R1.163 O=C(CO)NCC(O)c1ccccn1 527a_100000691469_100000210174 [0,1,0,0,0,0|3,0,0]=4 354 B14R1.163 O=C(CO)NCC(O)c1cccnc1 240690a_100020605170_100000210174 [0,1,0,0,0,0|3,0,0]=4 355 B14R1.163 O=C(CO)NCC(O)c1cccnc1 527a_100020605170_100000210174 [0,1,0,0,0,0|3,0,0]=4 356 B14R1.415 C=C(C)C(=O)CC(O)c1ccccc1 1458a_100000185857_100000185958 [0,1,0,0,0,0|3,0,0]=4 357 B14R1.415 C=C(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000185857_100011933945 [0,1,0,0,0,0|3,0,0]=4 358 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 240690a_100000227976_100015343762 [0,1,0,0,0,0|2,0,0]=3 359 B14R1.415 CC(=O)N(C)CC(O)c1ccccc1 527a_100000227976_100103153847 [0,1,0,0,0,0|2,0,0]=3 360 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 2230a_100000119354_100000230085 [0,1,0,0,0,0|3,0,0]=4 361 B14R1.415 CC(N[C@H](C)C(=O)N)c1ccccc1 34a_100000119354_100000211855 [0,1,0,0,0,0|3,0,0]=4 362 B14R1.415 CC(N[C@H](C)c1ccccc1)C(=O)N 2230a_100000751104_100000702099 [0,1,0,0,0,0|3,0,0]=4 363 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 34a_100000731257_100000211855 [0,1,0,0,0,0|3,0,0]=4 364 B14R1.415 CC(O[C@H](C)C(=O)N)c1ccccc1 7a_100000731257_100000230085 [0,1,0,0,0,0|3,0,0]=4 365 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 34a_100000761318_100000702099 [0,1,0,0,0,0|3,0,0]=4 366 B14R1.415 CC(O[C@H](C)c1ccccc1)C(=O)N 7a_100000761318_100000702099 [0,1,0,0,0,0|3,0,0]=4 367 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000230085_100000702099 [0,1,0,0,0,0|3,0,0]=4 368 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000702099_100000230085 [0,1,0,0,0,0|3,0,0]=4 369 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100000230085_100009813875 [0,1,0,0,0,0|3,0,0]=4 370 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100009813875_100000230085 [0,1,0,0,0,0|3,0,0]=4 371 B14R1.415 C[C@@H](NC(=O)C(=O)N)c1ccccc1 240690a_100000751104_100011215815 [0,1,0,0,0,0|3,0,0]=4 372 B14R1.415 C[C@@H](NC(F)C(=O)N)c1ccccc1 2230a_100000751104_100009813875 [0,1,0,0,0,0|3,0,0]=4 373 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 34a_100000761318_100009813875 [0,1,0,0,0,0|3,0,0]=4 374 B14R1.415 C[C@@H](OC(F)C(=O)N)c1ccccc1 7a_100000761318_100009813875 [0,1,0,0,0,0|3,0,0]=4 375 B14R1.417 CC(=O)OC(C)C(=O)c1ccccc1 1458a_100000185807_100009818208 [0,1,0,0,0,0|1,0,2]=4 376 B14R1.417 CC(=O)OC(C)N(C)c1ccccc1 269982a_100000210012_100009818208 [0,1,0,0,0,0|3,0,0]=4 377 B14R1.417 CC(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000230085 [0,1,0,0,0,0|2,0,1]=4 378 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000195388_100000747473 [0,1,0,0,0,0|3,0,0]=4 379 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 2230a_100000739694_100000230085 [0,1,0,0,0,0|3,0,0]=4 380 B14R1.417 CC(c1ccccc1)N(C)CC(=O)N 269982a_100000195388_100000187820 [0,1,0,0,0,0|3,0,0]=4 381 B14R1.417 C[C@H](C(=O)CC(=O)N)c1ccccc1 1458a_100000751047_100000187820 [0,1,0,0,0,0|2,0,1]=4 382 B14R1.417 NC(=O)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000187820 [0,1,0,0,0,0|2,0,1]=4 383 B14R1.417 NC(=O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000187820 [0,1,0,0,0,0|1,0,1]=3 384 B14R1.417 O=C([O-])CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100020667443 [0,1,0,0,0,0|2,0,1]=4 385 B14R1.540 C#CC(OCC(=O)N)c1ccccc1 34a_100011219616_100000187820 [0,1,0,0,0,0|3,0,0]=4 386 B14R1.540 C#CC(OCC(=O)N)c1ccccc1 7a_100011219616_100000187820 [0,1,0,0,0,0|3,0,0]=4 387 B14R1.540 C=CC(NCC(=O)N)c1ccccc1 2230a_100000711301_200000085779 [0,1,0,0,0,0|3,0,0]=4 388 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 34a_100011215659_100000187820 [0,1,0,0,0,0|3,0,0]=4 389 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 7a_100011215659_100000187820 [0,1,0,0,0,0|3,0,0]=4 390 B14R1.540 C=CC(SCC(=O)N)c1ccccc1 62a_100000747473_200000085779 [0,1,0,0,0,0|3,0,0]=4 391 B14R1.540 C=CC(SCC(=O)N)c1ccccc1 62a_200000085779_100000747473 [0,1,0,0,0,0|3,0,0]=4 392 B14R1.540 CCC(NCC(=O)N)c1ccccc1 2230a_100000737752_100000747473 [0,1,0,0,0,0|3,0,0]=4 393 B14R1.540 CCC(OCC(=O)N)c1ccccc1 34a_100000698172_100000187820 [0,1,0,0,0,0|3,0,0]=4 394 B14R1.540 CCC(OCC(=O)N)c1ccccc1 7a_100000698172_100000187820 [0,1,0,0,0,0|3,0,0]=4 395 B14R1.540 CCN(CCC(=O)N)c1ccccc1 2230a_100000210013_100000744528 [0,1,0,0,0,0|3,0,0]=4 396 B14R1.540 CCN(CCC(=O)N)c1ccccc1 269982a_100000210013_100000744528 [0,1,0,0,0,0|3,0,0]=4 397 B14R1.540 CCN(CCC(=O)N)c1ccccc1 34a_100000210013_100000731001 [0,1,0,0,0,0|3,0,0]=4 398 B14R1.540 CCN(COC(=O)C)c1ccccc1 269982a_100000210013_100000076356 [0,1,0,0,0,0|3,0,0]=4 399 B14R1.540 CCN(COC(=O)C)c1ccccc1 34a_100000210013_100009813279 [0,1,0,0,0,0|3,0,0]=4 400 B14R1.540 CN[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B14R1.540 COC(COC(C)C)c1ccccc1 34a_100011215540_100000210206 [0,1,0,0,0,0|2,0,1]=4 402 B14R1.540 COC(COC(C)C)c1ccccc1 7a_100011215540_100000210206 [0,1,0,0,0,0|2,0,1]=4 403 B14R1.540 N#CC(OCC(=O)N)c1ccccc1 7a_100011217353_100000187820 [0,1,0,0,0,0|3,0,0]=4 404 B14R1.540 NC(=O)CNC(CO)c1ccccn1 2230a_100015196888_100000747473 [0,1,0,0,0,0|3,0,0]=4 405 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000747473 [0,1,0,0,0,0|2,0,0]=3 406 B14R1.540 NC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000187820 [0,1,0,0,0,0|2,0,0]=3 407 B14R1.540 NC(=O)CN[C@H](CO)c1ccncc1 2230a_100138412524_100000747473 [0,1,0,0,0,0|3,0,0]=4 408 B14R1.540 NC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000187820 [0,1,0,0,0,0|3,0,0]=4 409 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000187820 [0,1,0,0,0,0|3,0,0]=4 410 B14R1.540 NC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000187820 [0,1,0,0,0,0|3,0,0]=4 411 B14R1.540 NCC(OCC(=O)N)c1ccccc1 34a_100000210709_100000187820 [0,1,0,0,0,0|3,0,0]=4 412 B14R1.540 O=C([O-])CN[C@H](CO)c1ccccc1 34a_100000751927_100020667443 [0,1,0,0,0,0|3,0,0]=4 413 B14R1.540 [13CH3]N[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200025704644 [0,1,0,0,0,0|3,0,0]=4 414 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100015343762 [0,1,0,0,0,0|3,0,0]=4 415 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100103153847 [0,1,0,0,0,0|3,0,0]=4 416 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100015343762 [0,1,0,0,0,0|2,0,0]=3 417 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100103153847 [0,1,0,0,0,0|2,0,0]=3 418 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100015343762 [0,1,0,0,0,0|2,0,0]=3 419 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100103153847 [0,1,0,0,0,0|2,0,0]=3 420 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100015343762 [0,1,0,0,0,0|2,0,0]=3 421 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100015343762 [0,1,0,0,0,0|2,0,0]=3 422 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100103153847 [0,1,0,0,0,0|2,0,0]=3 423 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100015343762 [0,1,0,0,0,0|2,0,0]=3 424 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)O 271570a_203496583355_100009811547 [0,1,0,0,0,0|1,0,2]=4 425 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Br 269982a_100000219623_100000076356 [0,1,0,0,0,0|3,0,0]=4 426 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Br 34a_100000219623_100009813279 [0,1,0,0,0,0|3,0,0]=4 427 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)C 269982a_100000219977_100000076356 [0,1,0,0,0,0|3,0,0]=4 428 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)C 34a_100000219977_100009813279 [0,1,0,0,0,0|3,0,0]=4 429 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000076356 [0,1,0,0,0,0|3,0,0]=4 430 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)Cl 34a_100020629279_100009813279 [0,1,0,0,0,0|3,0,0]=4 431 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)F 269982a_100000219829_100000076356 [0,1,0,0,0,0|3,0,0]=4 432 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)F 34a_100000219829_100009813279 [0,1,0,0,0,0|3,0,0]=4 433 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)I 269982a_100000743151_100000076356 [0,1,0,0,0,0|3,0,0]=4 434 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)I 34a_100000743151_100009813279 [0,1,0,0,0,0|3,0,0]=4 435 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)O 269982a_100000182112_100000076356 [0,1,0,0,0,0|3,0,0]=4 436 B14R1.678 CC(=O)OCN(C)c1ccc(cc1)O 34a_100000182112_100009813279 [0,1,0,0,0,0|3,0,0]=4 437 B14R1.678 CC(C)OCC(O)c1ccc(cc1)Cl 34a_100000212225_200011996143 [0,1,0,0,0,0|2,0,1]=4 438 B14R1.678 CC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000212225_100000720402 [0,1,0,0,0,0|2,0,1]=4 439 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)Br 2230a_100000711301_100000755118 [0,1,0,0,0,0|3,0,0]=4 440 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)Cl 2230a_100000711301_100000684792 [0,1,0,0,0,0|3,0,0]=4 441 B14R1.678 CC(NCC(=O)N)c1ccc(cc1)F 2230a_100000711301_100000743420 [0,1,0,0,0,0|3,0,0]=4 442 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)Br 34a_100000745893_100000187820 [0,1,0,0,0,0|3,0,0]=4 443 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)Br 7a_100000745893_100000187820 [0,1,0,0,0,0|3,0,0]=4 444 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)F 34a_100000181323_100000187820 [0,1,0,0,0,0|3,0,0]=4 445 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)F 7a_100000181323_100000187820 [0,1,0,0,0,0|3,0,0]=4 446 B14R1.678 CC(OCC(=O)N)c1ccc(cc1)N 34a_100011216399_100000187820 [0,1,0,0,0,0|3,0,0]=4 447 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Br 62a_100000747473_100000755118 [0,1,0,0,0,0|3,0,0]=4 448 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Br 62a_100000755118_100000747473 [0,1,0,0,0,0|3,0,0]=4 449 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Cl 62a_100000684792_100000747473 [0,1,0,0,0,0|3,0,0]=4 450 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)Cl 62a_100000747473_100000684792 [0,1,0,0,0,0|3,0,0]=4 451 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)F 62a_100000743420_100000747473 [0,1,0,0,0,0|3,0,0]=4 452 B14R1.678 CC(SCC(=O)N)c1ccc(cc1)F 62a_100000747473_100000743420 [0,1,0,0,0,0|3,0,0]=4 453 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000744528 [0,1,0,0,0,0|3,0,0]=4 454 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000744528 [0,1,0,0,0,0|3,0,0]=4 455 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000731001 [0,1,0,0,0,0|3,0,0]=4 456 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000744528 [0,1,0,0,0,0|3,0,0]=4 457 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000744528 [0,1,0,0,0,0|3,0,0]=4 458 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000731001 [0,1,0,0,0,0|3,0,0]=4 459 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000744528 [0,1,0,0,0,0|3,0,0]=4 460 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 2230a_100000231051_200000210301 [0,1,0,0,0,0|3,0,0]=4 461 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000744528 [0,1,0,0,0,0|3,0,0]=4 462 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 269982a_100000231051_200000210301 [0,1,0,0,0,0|3,0,0]=4 463 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 34a_100000219829_100000731001 [0,1,0,0,0,0|3,0,0]=4 464 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 34a_100000231051_200000210301 [0,1,0,0,0,0|3,0,0]=4 465 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)F 7a_100000231051_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000744528 [0,1,0,0,0,0|3,0,0]=4 467 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000744528 [0,1,0,0,0,0|3,0,0]=4 468 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)I 34a_100000743151_100000731001 [0,1,0,0,0,0|3,0,0]=4 469 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000744528 [0,1,0,0,0,0|3,0,0]=4 470 B14R1.678 CN(CCC(=O)N)c1ccc(cc1)O 34a_100000182112_100000731001 [0,1,0,0,0,0|3,0,0]=4 471 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Br 2230a_100000720352_100000747473 [0,1,0,0,0,0|3,0,0]=4 472 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Cl 2230a_100015205461_100000747473 [0,1,0,0,0,0|3,0,0]=4 473 B14R1.678 C[C@@H](NCC(=O)N)c1ccc(cc1)Cl 34a_100015205461_100000187820 [0,1,0,0,0,0|3,0,0]=4 474 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)F 2230a_100025705893_100000747473 [0,1,0,0,0,0|3,0,0]=4 475 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)F 34a_100025705893_100000187820 [0,1,0,0,0,0|3,0,0]=4 476 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)I 2230a_100000753911_100000747473 [0,1,0,0,0,0|3,0,0]=4 477 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)O 2230a_100161106496_100000747473 [0,1,0,0,0,0|3,0,0]=4 478 B14R1.678 C[C@H](OCC(=O)N)c1ccc(cc1)Cl 34a_100011852131_100000187820 [0,1,0,0,0,0|3,0,0]=4 479 B14R1.678 C[C@H](OCC(=O)N)c1ccc(cc1)Cl 7a_100011852131_100000187820 [0,1,0,0,0,0|3,0,0]=4 480 B14R1.678 Cc1ccc(cc1)C(C)NCC(=O)N 2230a_100000711301_100011261388 [0,1,0,0,0,0|3,0,0]=4 481 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)N 62a_100000747473_100011261388 [0,1,0,0,0,0|3,0,0]=4 482 B14R1.678 Cc1ccc(cc1)C(C)SCC(=O)N 62a_100011261388_100000747473 [0,1,0,0,0,0|3,0,0]=4 483 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)N 2230a_100000219977_100000744528 [0,1,0,0,0,0|3,0,0]=4 484 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)N 269982a_100000219977_100000744528 [0,1,0,0,0,0|3,0,0]=4 485 B14R1.678 Cc1ccc(cc1)N(C)CCC(=O)N 34a_100000219977_100000731001 [0,1,0,0,0,0|3,0,0]=4 486 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)N 2230a_100016988085_100000747473 [0,1,0,0,0,0|3,0,0]=4 487 B14R1.678 Cc1ccc(cc1)[C@@H](C)NCC(=O)N 34a_100016988085_100000187820 [0,1,0,0,0,0|3,0,0]=4 488 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)N 34a_100000690690_100000187820 [0,1,0,0,0,0|3,0,0]=4 489 B14R1.678 Cc1ccc(cc1)[C@@H](C)OCC(=O)N 7a_100000690690_100000187820 [0,1,0,0,0,0|3,0,0]=4 490 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 2230a_100000231051_200025704644 [0,1,0,0,0,0|3,0,0]=4 491 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 269982a_100000231051_200025704644 [0,1,0,0,0,0|3,0,0]=4 492 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 34a_100000231051_200025704644 [0,1,0,0,0,0|3,0,0]=4 493 B14R1.678 [13CH3]N(CCC(=O)N)c1ccc(cc1)F 7a_100000231051_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B14R1.678 [2H]C(OCC(=O)N)c1ccc(cc1)F 34a_217856618577_100000187820 [0,1,0,0,0,0|3,0,0]=4 495 B14R1.678 [2H]C(OCC(=O)N)c1ccc(cc1)F 7a_217856618577_100000187820 [0,1,0,0,0,0|3,0,0]=4 496 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 11a_100011211644_100015343762 [0,1,0,0,0,0|3,0,0]=4 497 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 1626a_100011211644_100015343762 [0,1,0,0,0,0|3,0,0]=4 498 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 240690a_100011211644_100015343762 [0,1,0,0,0,0|3,0,0]=4 499 B14R1.813 CC(=O)NCC(C)(C)c1ccccc1 527a_100011211644_100103153847 [0,1,0,0,0,0|3,0,0]=4 500 B14R1.813 CC(=O)NCC(C)(O)c1ccccc1 527a_100011660926_100103153847 [0,1,0,0,0,0|2,0,0]=3 501 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 11a_100000717977_100015343762 [0,1,0,0,0,0|3,0,0]=4 502 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 1626a_100000717977_100015343762 [0,1,0,0,0,0|3,0,0]=4 503 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 240690a_100000717977_100015343762 [0,1,0,0,0,0|3,0,0]=4 504 B14R1.813 CC(=O)NCC(F)(F)c1ccccc1 527a_100000717977_100103153847 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.813 CC(C)(NCC(=O)N)c1ccccc1 2230a_100000711301_100000034625 [0,1,0,0,0,0|3,0,0]=4 506 B14R1.813 CC(C)(NCC(=O)N)c1ccccc1 2230a_100011218174_100000747473 [0,1,0,0,0,0|3,0,0]=4 507 B14R1.813 CC(C)(OCC(=O)N)c1ccccc1 7a_100000694644_100000187820 [0,1,0,0,0,0|3,0,0]=4 508 B14R1.813 CC(C)(SCC(=O)N)c1ccccc1 62a_100000034625_100000747473 [0,1,0,0,0,0|3,0,0]=4 509 B14R1.813 CC(C)(SCC(=O)N)c1ccccc1 62a_100000747473_100000034625 [0,1,0,0,0,0|3,0,0]=4 510 B14R1.813 NC(=O)CSC(F)(F)c1ccccc1 62a_100000747473_100000036403 [0,1,0,0,0,0|3,0,0]=4 511 B14R1.3098 CC(C)(C)OCC(O)c1ccccc1 34a_100015890283_100000185958 [0,1,0,0,0,0|2,0,1]=4 512 B14R1.3098 CC(C)(C)OCC(O)c1ccccc1 7a_100015890283_100000185958 [0,1,0,0,0,0|2,0,1]=4 513 B14R1.3098 CC(C)(C)OC[C@@H](O)c1ccccc1 34a_100015890283_100011933945 [0,1,0,0,0,0|2,0,1]=4 514 B14R1.3098 CC(C)(C)OC[C@@H](O)c1ccccc1 7a_100015890283_100011933945 [0,1,0,0,0,0|2,0,1]=4 515 B14R1.3098 CS(=O)(=O)NCC(O)c1ccccc1 40a_100000210709_100000738038 [0,1,0,0,0,0|3,0,0]=4 516 B14R2.779 CC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200000210301 [0,0,0,1,0,0|3,0,0]=4 517 B14R2.779 [13CH3]C(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200025704644 [0,0,0,1,0,0|3,0,0]=4 518 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100015343762 [0,0,0,1,0,0|3,0,0]=4 519 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100015343762 [0,0,0,1,0,0|3,0,0]=4 520 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100015343762 [0,0,0,1,0,0|3,0,0]=4 521 B14R2.790 CC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100103153847 [0,0,0,1,0,0|3,0,0]=4 522 B14R2.31137 NC(=O)CSC1Cc2c1cccc2 62a_100000747473_100009813401 [0,0,0,1,0,0|3,0,0]=4 523 B14R2.31137 NC(=O)CSC1Cc2c1cccc2 62a_100009813401_100000747473 [0,0,0,1,0,0|3,0,0]=4 524 B12R1.54 CC(=O)NCC(O)c1ccco1 527a_100000738650_100103153847 [0,0,0,0,1,0|3,0,0]=4 525 B12R1.54 CC(=O)NCC(O)c1ccsc1 240690a_100000758718_100015343762 [0,0,0,0,1,0|3,0,0]=4 526 B12R1.54 CC(=O)NCC(O)c1ccsc1 527a_100000758718_100103153847 [0,0,0,0,1,0|3,0,0]=4 527 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,0,0,1,0|1,0,2]=4 528 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,0,0,0,1,0|2,0,0]=3 529 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,0,0,0,1,0|2,0,0]=3 530 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,0,0,0,1,0|1,0,0]=2 531 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,0,0,0,1,0|1,0,0]=2 532 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,0,0,0,1,0|3,0,0]=4 533 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,0,0,0,1,0|1,0,0]=2 534 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,0,0,0,1,0|3,0,0]=4 535 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,0,0,0,1,0|3,0,0]=4 536 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,0,0,0,1,0|3,0,0]=4 537 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,0,0,0,1,0|3,0,0]=4 538 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,0,0,0,1,0|2,0,0]=3 539 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,0,0,0,1,0|3,0,0]=4 540 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,0,0,0,1,0|3,0,0]=4 541 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,0,0,0,1,0|3,0,0]=4 542 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,0,0,0,1,0|3,0,0]=4 543 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,0,0,1,0|2,0,0]=3 544 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,0,0,1,0|2,0,0]=3 545 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,0,0,1,0|2,0,0]=3 546 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,0,0,1,0|2,0,0]=3 547 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,0,0,1,0|2,0,0]=3 548 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,0,0,0,1,0|3,0,0]=4 549 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,0,0,0,1,0|3,0,0]=4 550 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,0,0,0,1,0|3,0,0]=4 551 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,0,0,0,1,0|3,0,0]=4 552 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,0,0,0,1,0|3,0,0]=4 553 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,0,0,0,1,0|3,0,0]=4 554 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,0,0,1,0|0,0,2]=3 555 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,0,0,1,0|1,0,2]=4 556 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,0,0,0,1,0|1,0,0]=2 557 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,0,0,1,0|2,0,0]=3 558 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,0,0,1,0|2,0,0]=3 559 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,0,0,0,1,0|3,0,0]=4 560 B14R1.420 C=C(C)CNCC(O)c1ccccc1 2230a_100000210709_100000748629 [0,0,0,0,0,1|3,0,0]=4 561 B14R1.420 C=C(C)COCC(C)c1ccccc1 34a_100000210245_100000756946 [0,0,0,0,0,1|3,0,0]=4 562 B14R1.420 C=C(C)COCC(C)c1ccccc1 34a_100011215166_100000748629 [0,0,0,0,0,1|3,0,0]=4 563 B14R1.420 C=C(C)COCC(C)c1ccccc1 7a_100011215166_100000748629 [0,0,0,0,0,1|3,0,0]=4 564 B14R1.420 C=C(C)COCC(O)c1ccccc1 34a_100000210245_100000185958 [0,0,0,0,0,1|2,0,0]=3 565 B14R1.420 C=C(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100000748629 [0,0,0,0,0,1|3,0,0]=4 566 B14R1.420 C=C(C)COC[C@@H](O)c1ccccc1 34a_100000210245_100011933945 [0,0,0,0,0,1|2,0,0]=3 567 B14R1.420 C=C(C)CSCC(O)c1ccccc1 62a_100000185958_100000211660 [0,0,0,0,0,1|2,1,0]=4 568 B14R1.420 C=C(C)CSCC(O)c1ccccc1 62a_100000748629_100000185958 [0,0,0,0,0,1|2,1,0]=4 569 B14R1.420 C=C(C)CSC[C@@H](O)c1ccccc1 62a_100000748629_100011933945 [0,0,0,0,0,1|2,1,0]=4 570 B14R1.420 C=C(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000211660 [0,0,0,0,0,1|2,1,0]=4 571 B14R1.420 C=C(F)CNCC(O)c1ccccc1 2230a_100000210709_100009893438 [0,0,0,0,0,1|3,0,0]=4 572 B14R1.420 C=C(F)COCC(C)c1ccccc1 34a_100011215166_100009893438 [0,0,0,0,0,1|3,0,0]=4 573 B14R1.420 C=C(F)COCC(C)c1ccccc1 34a_200010262243_100000756946 [0,0,0,0,0,1|3,0,0]=4 574 B14R1.420 C=C(F)COCC(C)c1ccccc1 7a_100011215166_100000042424 [0,0,0,0,0,1|3,0,0]=4 575 B14R1.420 C=C(F)COCC(O)c1ccccc1 34a_200010262243_100000185958 [0,0,0,0,0,1|2,0,0]=3 576 B14R1.420 C=C(F)COC[C@@H](N)c1ccccc1 34a_100000751927_100009893438 [0,0,0,0,0,1|3,0,0]=4 577 B14R1.420 C=C(F)COC[C@@H](O)c1ccccc1 34a_200010262243_100011933945 [0,0,0,0,0,1|2,0,0]=3 578 B14R1.420 C=C(F)CSCC(O)c1ccccc1 62a_100000042424_100000185958 [0,0,0,0,0,1|2,1,0]=4 579 B14R1.420 C=C(F)CSCC(O)c1ccccc1 62a_100000185958_100000042424 [0,0,0,0,0,1|2,1,0]=4 580 B14R1.420 C=C(F)CSC[C@@H](O)c1ccccc1 62a_100000042424_100011933945 [0,0,0,0,0,1|2,1,0]=4 581 B14R1.420 C=C(F)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000042424 [0,0,0,0,0,1|2,1,0]=4 582 B14R1.420 CC(=O)CCOC(C)c1ccccc1 34a_100000759926_100000211855 [0,0,0,0,0,1|3,0,0]=4 583 B14R1.420 CC(=O)CCOC(C)c1ccccc1 7a_100000759926_100000230085 [0,0,0,0,0,1|3,0,0]=4 584 B14R1.420 CC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000053229 [0,0,0,0,0,1|3,0,0]=4 585 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000053229_100000230085 [0,0,0,0,0,1|3,0,0]=4 586 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000053229 [0,0,0,0,0,1|3,0,0]=4 587 B14R1.420 CC(=O)COCC(C)c1ccccc1 34a_100000211253_100000756946 [0,0,0,0,0,1|2,0,0]=3 588 B14R1.420 CC(=O)COCC(O)c1ccccc1 34a_100000211253_100000185958 [0,0,0,0,0,1|1,0,0]=2 589 B14R1.420 CC(=O)COC[C@@H](O)c1ccccc1 34a_100000211253_100011933945 [0,0,0,0,0,1|1,0,0]=2 590 B14R1.420 CC(=O)NCCC(O)c1ccccc1 240690a_100000763605_100015343762 [0,0,0,0,0,1|2,0,0]=3 591 B14R1.420 CC(=O)NCCC(O)c1ccccc1 527a_100000763605_100103153847 [0,0,0,0,0,1|2,0,0]=3 592 B14R1.420 CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009814007 [0,0,0,0,0,1|1,0,2]=4 593 B14R1.420 CC(=O)OCCN(C)c1ccccc1 269982a_100000210012_100009814007 [0,0,0,0,0,1|3,0,0]=4 594 B14R1.420 CC(=O)OCCN(C)c1ccccc1 34a_100000210012_100009814007 [0,0,0,0,0,1|3,0,0]=4 595 B14R1.420 CC(=O)OCO[C@H](C)c1ccccc1 34a_100000761318_100009813279 [0,0,0,0,0,1|2,0,0]=3 596 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000076356_100000230085 [0,0,0,0,0,1|2,0,0]=3 597 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000076356 [0,0,0,0,0,1|2,0,0]=3 598 B14R1.420 CC(Br)COCC(O)c1ccccc1 34a_100012180447_100000185958 [0,0,0,0,0,1|2,0,1]=4 599 B14R1.420 CC(Br)COC[C@@H](O)c1ccccc1 34a_100012180447_100011933945 [0,0,0,0,0,1|2,0,1]=4 600 B14R1.420 CC(C)COCC(O)c1ccccc1 34a_100000210257_100000185958 [0,0,0,0,0,1|2,0,1]=4 601 B14R1.420 CC(C)COC[C@@H](O)c1ccccc1 34a_100000210257_100011933945 [0,0,0,0,0,1|2,0,1]=4 602 B14R1.420 CC(C)OCC[C@@H](O)c1ccccc1 34a_100000212225_100000729684 [0,0,0,0,0,1|2,0,1]=4 603 B14R1.420 CC(CNCC(=O)N)c1ccccc1 2230a_100000701038_100000747473 [0,0,0,0,0,1|2,0,0]=3 604 B14R1.420 CC(CNCC(=O)N)c1ccccc1 2230a_100000711301_100000756946 [0,0,0,0,0,1|2,0,0]=3 605 B14R1.420 CC(CNCC(=O)N)c1ccccc1 34a_100000701038_100000187820 [0,0,0,0,0,1|2,0,0]=3 606 B14R1.420 CC(CNCC(=O)O)c1ccccc1 269956a_100016091260_100000756946 [0,0,0,0,0,1|3,0,0]=4 607 B14R1.420 CC(CNCC(=O)[O-])c1ccccc1 34a_100000701038_100020667443 [0,0,0,0,0,1|3,0,0]=4 608 B14R1.420 CC(COCC(=O)N)c1ccccc1 34a_100011215166_100000187820 [0,0,0,0,0,1|1,0,0]=2 609 B14R1.420 CC(COCC(=O)N)c1ccccc1 7a_100011215166_100000187820 [0,0,0,0,0,1|1,0,0]=2 610 B14R1.420 CC(COCC(=O)[O-])c1ccccc1 34a_100011215166_100020667443 [0,0,0,0,0,1|2,0,0]=3 611 B14R1.420 CC(COC[C@@H](C)N)c1ccccc1 34a_100000737577_100000756946 [0,0,0,0,0,1|2,0,1]=4 612 B14R1.420 CC(COC[N+](=O)[O-])c1ccccc1 34a_100011215166_100000761209 [0,0,0,0,0,1|3,0,0]=4 613 B14R1.420 CC(CSCC(=O)N)c1ccccc1 62a_100000747473_100000756946 [0,0,0,0,0,1|1,1,0]=3 614 B14R1.420 CC(CSCC(=O)N)c1ccccc1 62a_100000756946_100000747473 [0,0,0,0,0,1|1,1,0]=3 615 B14R1.420 CC(CSCC(=O)[O-])c1ccccc1 62a_100000756946_100020667443 [0,0,0,0,0,1|2,1,0]=4 616 B14R1.420 CC(CSCC(=O)[O-])c1ccccc1 62a_100020667443_100000756946 [0,0,0,0,0,1|2,1,0]=4 617 B14R1.420 CC(F)COCC(O)c1ccccc1 34a_100015925927_100000185958 [0,0,0,0,0,1|2,0,1]=4 618 B14R1.420 CC(F)COC[C@@H](O)c1ccccc1 34a_100015925927_100011933945 [0,0,0,0,0,1|2,0,1]=4 619 B14R1.420 CC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000185851 [0,0,0,0,0,1|2,0,0]=3 620 B14R1.420 CC(NCCC(=O)N)c1ccccn1 2230a_100000181244_100000744528 [0,0,0,0,0,1|3,0,0]=4 621 B14R1.420 CC(NCCC(=O)N)c1ccccn1 269862a_100000740010_100000210467 [0,0,0,0,0,1|3,0,0]=4 622 B14R1.420 CC(NCCC(=O)N)c1cccnc1 2230a_100000195435_100000744528 [0,0,0,0,0,1|3,0,0]=4 623 B14R1.420 CC(NCCC(=O)N)c1cccnc1 269862a_100000740010_100000210468 [0,0,0,0,0,1|3,0,0]=4 624 B14R1.420 CC(NCCC(=O)N)c1ccncc1 2230a_100000181269_100000744528 [0,0,0,0,0,1|3,0,0]=4 625 B14R1.420 CC(NCCC(=O)N)c1ccncc1 269862a_100000740010_100000185792 [0,0,0,0,0,1|3,0,0]=4 626 B14R1.420 CC(NOCC(=O)O)c1ccccc1 269956a_100000106656_100000211855 [0,0,0,0,0,1|3,0,0]=4 627 B14R1.420 CC(OCCC(=O)N)c1ccccc1 34a_100000757172_100000211855 [0,0,0,0,0,1|2,0,0]=3 628 B14R1.420 CC(OCCC(=O)N)c1ccccc1 7a_100000757172_100000230085 [0,0,0,0,0,1|2,0,0]=3 629 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000230085_100000744528 [0,0,0,0,0,1|2,0,0]=3 630 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000744528_100000230085 [0,0,0,0,0,1|2,0,0]=3 631 B14R1.420 CN(CCCC(=O)N)c1ccccc1 269982a_100000210012_100102525003 [0,0,0,0,0,1|3,0,0]=4 632 B14R1.420 CN(CCCC(=O)N)c1ccccc1 34a_100000210012_100102525003 [0,0,0,0,0,1|3,0,0]=4 633 B14R1.420 CN(CCNC(=O)N)c1ccccc1 2230a_100000210012_200000034859 [0,0,0,0,0,1|3,0,0]=4 634 B14R1.420 CN(CCNC(=O)N)c1ccccc1 269982a_100000210012_200000034859 [0,0,0,0,0,1|3,0,0]=4 635 B14R1.420 CN(CCOC(=O)N)c1ccccc1 269982a_100000210012_200011214921 [0,0,0,0,0,1|2,0,0]=3 636 B14R1.420 CN(CCOC(=O)N)c1ccccc1 34a_100000210012_200011214921 [0,0,0,0,0,1|2,0,0]=3 637 B14R1.420 C[C@@H](Cl)COCC(O)c1ccccc1 34a_100016084084_100000185958 [0,0,0,0,0,1|2,0,1]=4 638 B14R1.420 C[C@@H](Cl)COC[C@@H](O)c1ccccc1 34a_100016084084_100011933945 [0,0,0,0,0,1|2,0,1]=4 639 B14R1.420 C[C@@H](N)COCC(O)c1ccccc1 34a_100000737577_100000185958 [0,0,0,0,0,1|1,0,1]=3 640 B14R1.420 C[C@@H](N)COC[C@@H](O)c1ccccc1 34a_100000737577_100011933945 [0,0,0,0,0,1|1,0,1]=3 641 B14R1.420 C[C@@H](NCCC(=O)N)c1ccccc1 2230a_100000751104_100000744528 [0,0,0,0,0,1|2,0,0]=3 642 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 34a_100000761318_100000731001 [0,0,0,0,0,1|2,0,0]=3 643 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 7a_100000761318_100000744528 [0,0,0,0,0,1|2,0,0]=3 644 B14R1.420 NC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100102525003 [0,0,0,0,0,1|1,0,2]=4 645 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 11a_100000740010_100000185807 [0,0,0,0,0,1|1,0,2]=4 646 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 240690a_100000740010_100000185807 [0,0,0,0,0,1|1,0,2]=4 647 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 527a_100000740010_100000185807 [0,0,0,0,0,1|1,0,2]=4 648 B14R1.420 NC(=O)CNCC(O)c1ccccc1 2230a_100000210709_100000747473 [0,0,0,0,0,1|1,0,0]=2 649 B14R1.420 NC(=O)CNCC(O)c1ccccc1 2230a_100000711301_100000185958 [0,0,0,0,0,1|1,0,0]=2 650 B14R1.420 NC(=O)CNCC(O)c1ccccn1 2230a_100000691469_100000747473 [0,0,0,0,0,1|2,0,0]=3 651 B14R1.420 NC(=O)CNCC(O)c1cccnc1 2230a_100020605170_100000747473 [0,0,0,0,0,1|2,0,0]=3 652 B14R1.420 NC(=O)CNC[C@@H](O)c1ccccc1 2230a_100000711301_100011933945 [0,0,0,0,0,1|1,0,0]=2 653 B14R1.420 NC(=O)COC[C@@H](N)c1ccccc1 34a_100000751927_100000187820 [0,0,0,0,0,1|1,0,0]=2 654 B14R1.420 NC(=O)COC[C@@H](N)c1ccncc1 34a_100138412524_100000187820 [0,0,0,0,0,1|2,0,0]=3 655 B14R1.420 NC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000747473 [0,0,0,0,0,1|0,1,2]=4 656 B14R1.420 NC(=O)CSCC(=O)c1ccccc1 62a_100000747473_100000211460 [0,0,0,0,0,1|0,1,2]=4 657 B14R1.420 NC(=O)CSCC(O)c1ccccc1 62a_100000185958_100000747473 [0,0,0,0,0,1|0,1,0]=2 658 B14R1.420 NC(=O)CSCC(O)c1ccccc1 62a_100000747473_100000185958 [0,0,0,0,0,1|0,1,0]=2 659 B14R1.420 NC(=O)CSCS(=O)c1ccccc1 62a_100000747473_100000031784 [0,0,0,0,0,1|1,1,1]=4 660 B14R1.420 NC(=O)CSC[C@@H](O)c1ccccc1 62a_100000747473_100011933945 [0,0,0,0,0,1|0,1,0]=2 661 B14R1.420 NC(=O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000747473 [0,0,0,0,0,1|0,1,0]=2 662 B14R1.420 NC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_200000034859 [0,0,0,0,0,1|1,0,2]=4 663 B14R1.420 NC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_200011214921 [0,0,0,0,0,1|0,0,2]=3 664 B14R1.420 N[C@H](COCC(=O)[O-])c1ccccc1 34a_100000751927_100020667443 [0,0,0,0,0,1|2,0,0]=3 665 B14R1.420 N[C@H](COCC(=O)[O-])c1ccncc1 34a_100138412524_100020667443 [0,0,0,0,0,1|3,0,0]=4 666 B14R1.420 N[C@H](COC[N+](=O)[O-])c1ccccc1 34a_100000751927_100000761209 [0,0,0,0,0,1|3,0,0]=4 667 B14R1.420 O=C(O)CNCC(O)c1ccccc1 269956a_100016091260_100000185958 [0,0,0,0,0,1|2,0,0]=3 668 B14R1.420 O=C(O)CNC[C@@H](O)c1ccccc1 269956a_100016091260_100011933945 [0,0,0,0,0,1|2,0,0]=3 669 B14R1.420 O=C([O-])CSCC(O)c1ccccc1 62a_100000185958_100020667443 [0,0,0,0,0,1|1,1,0]=3 670 B14R1.420 O=C([O-])CSCC(O)c1ccccc1 62a_100020667443_100000185958 [0,0,0,0,0,1|1,1,0]=3 671 B14R1.420 O=C([O-])CSC[C@@H](O)c1ccccc1 62a_100011933945_100020667443 [0,0,0,0,0,1|1,1,0]=3 672 B14R1.420 O=C([O-])CSC[C@@H](O)c1ccccc1 62a_100020667443_100011933945 [0,0,0,0,0,1|1,1,0]=3 673 B14R1.420 O=[N+]([O-])CSCC(O)c1ccccc1 62a_100000185958_100000761209 [0,0,0,0,0,1|2,1,0]=4 674 B14R1.420 O=[N+]([O-])CSC[C@@H](O)c1ccccc1 62a_100011933945_100000761209 [0,0,0,0,0,1|2,1,0]=4 675 B14R1.420 OC(COCC(F)F)c1ccccc1 34a_100000743014_100000185958 [0,0,0,0,0,1|2,0,1]=4 676 B14R1.420 O[C@H](COCC(F)F)c1ccccc1 34a_100000743014_100011933945 [0,0,0,0,0,1|2,0,1]=4 677 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 11a_100000755676_100015343762 [0,0,0,0,0,1|3,0,0]=4 678 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 1626a_100000755676_100015343762 [0,0,0,0,0,1|3,0,0]=4 679 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 240690a_100000755676_100015343762 [0,0,0,0,0,1|3,0,0]=4 680 B14R1.423 CC(=O)NCC(C)Oc1ccccc1 527a_100000755676_100103153847 [0,0,0,0,0,1|3,0,0]=4 681 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100015343762 [0,0,0,0,0,1|2,0,0]=3 682 B14R1.423 CC(=O)NCC(O)Cc1ccccc1 527a_100000752270_100103153847 [0,0,0,0,0,1|2,0,0]=3 683 B14R1.423 CC(=O)OCC(=O)Cc1ccccc1 1458a_100000183556_100015291786 [0,0,0,0,0,1|1,0,2]=4 684 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 1626a_100000106764_100000183556 [0,0,0,0,0,1|1,0,2]=4 685 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 22a_100000106764_100000183556 [0,0,0,0,0,1|1,0,2]=4 686 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 527a_100000106764_100000183556 [0,0,0,0,0,1|1,0,2]=4 687 B14R1.423 CC(=O)OCN(C)Cc1ccccc1 269982a_100000186898_100000076356 [0,0,0,0,0,1|3,0,0]=4 688 B14R1.423 CC(C)OC[C@@H](O)Cc1ccccc1 34a_100000212225_100000729385 [0,0,0,0,0,1|2,0,1]=4 689 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 34a_100000748627_100000187820 [0,0,0,0,0,1|3,0,0]=4 690 B14R1.423 CC(Cc1ccccc1)OCC(=O)N 7a_100000748627_100000187820 [0,0,0,0,0,1|3,0,0]=4 691 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_100000747473_200011218536 [0,0,0,0,0,1|3,0,0]=4 692 B14R1.423 CC(Cc1ccccc1)SCC(=O)N 62a_200011218536_100000747473 [0,0,0,0,0,1|3,0,0]=4 693 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200000210301 [0,0,0,0,0,1|3,0,0]=4 694 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000186898_100000744528 [0,0,0,0,0,1|3,0,0]=4 695 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000730477_100015291786 [0,0,0,0,0,1|3,0,0]=4 696 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200000210301 [0,0,0,0,0,1|3,0,0]=4 697 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000186898_100000744528 [0,0,0,0,0,1|3,0,0]=4 698 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 270004a_100000730477_100015611070 [0,0,0,0,0,1|3,0,0]=4 699 B14R1.423 NC(=O)CCC(=O)Cc1ccccc1 1458a_100011215257_100015291786 [0,0,0,0,0,1|1,0,2]=4 700 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100011215257 [0,0,0,0,0,1|1,0,2]=4 701 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011215257 [0,0,0,0,0,1|1,0,2]=4 702 B14R1.423 NC(=O)NCC(=O)Cc1ccccc1 1458a_100000184981_100015291786 [0,0,0,0,0,1|1,0,2]=4 703 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000184981 [0,0,0,0,0,1|1,0,2]=4 704 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000184981 [0,0,0,0,0,1|1,0,2]=4 705 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200025704644 [0,0,0,0,0,1|3,0,0]=4 706 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200025704644 [0,0,0,0,0,1|3,0,0]=4 707 B11R0.147 C=CC=CC(=O)CCCC(=O)N 1458a_100016291481_100102525003 [1,0,1,0,0,0|2,0,0]=4 708 B11R0.147 C=CC=CC(=O)CCNC(=O)N 1458a_100016291481_200000034859 [1,0,1,0,0,0|2,0,0]=4 709 B11R0.147 C=CC=CC(=O)CCOC(=O)C 1458a_100016291481_100009814007 [1,0,1,0,0,0|2,0,0]=4 710 B11R0.147 C=CC=CC(=O)CCOC(=O)N 1458a_100016291481_200011214921 [1,0,1,0,0,0|1,0,0]=3 711 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [2,0,0,0,0,0|1,0,1]=4 712 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [2,0,0,0,0,0|1,0,1]=4 713 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [2,0,0,0,0,0|2,0,0]=4 714 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [2,0,0,0,0,0|2,0,0]=4 715 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [2,0,0,0,0,0|2,0,0]=4 716 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [2,0,0,0,0,0|1,0,1]=4 717 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [2,0,0,0,0,0|1,0,1]=4 718 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [2,0,0,0,0,0|1,0,1]=4 719 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [2,0,0,0,0,0|1,0,1]=4 720 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [2,0,0,0,0,0|1,0,1]=4 721 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [2,0,0,0,0,0|1,0,1]=4 722 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [2,0,0,0,0,0|1,0,1]=4 723 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [2,0,0,0,0,0|1,0,1]=4 724 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [2,0,0,0,0,0|1,0,1]=4 725 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [2,0,0,0,0,0|1,0,1]=4 726 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [2,0,0,0,0,0|0,0,1]=3 727 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [2,0,0,0,0,0|1,0,1]=4 728 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [2,0,0,0,0,0|0,0,1]=3 729 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [2,0,0,0,0,0|0,1,1]=4 730 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [2,0,0,0,0,0|0,1,1]=4 731 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [2,0,0,0,0,0|0,1,1]=4 732 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [2,0,0,0,0,0|0,1,1]=4 733 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [2,0,0,0,0,0|1,0,1]=4 734 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [2,0,0,0,0,0|1,0,1]=4 735 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [2,0,0,0,0,0|0,1,1]=4 736 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [2,0,0,0,0,0|0,1,1]=4 737 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [2,0,0,0,0,0|0,1,1]=4 738 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [2,0,0,0,0,0|0,1,1]=4 739 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [2,0,0,0,0,0|1,0,1]=4 740 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [2,0,0,0,0,0|1,0,1]=4 741 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [2,0,0,0,0,0|1,0,1]=4 742 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [2,0,0,0,0,0|1,0,1]=4 743 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [2,0,0,0,0,0|1,0,1]=4 744 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [2,0,0,0,0,0|2,0,0]=4 745 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [2,0,0,0,0,0|2,0,0]=4 746 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [2,0,0,0,0,0|2,0,0]=4 747 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [2,0,0,0,0,0|2,0,0]=4 748 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [2,0,0,0,0,0|2,0,0]=4 749 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [2,0,0,0,0,0|2,0,0]=4 750 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [1,1,0,0,0,0|2,0,0]=4 751 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [1,1,0,0,0,0|2,0,0]=4 752 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [1,1,0,0,0,0|2,0,0]=4 753 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [1,1,0,0,0,0|1,0,1]=4 754 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [1,1,0,0,0,0|1,0,1]=4 755 B13R1.24 C#CCOCC(O)c1ccccc1 34a_100000210247_100000185958 [1,1,0,0,0,0|1,0,1]=4 756 B13R1.24 C#CCOC[C@@H](O)c1ccccc1 34a_100000210247_100011933945 [1,1,0,0,0,0|1,0,1]=4 757 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100000210709_100000210623 [1,1,0,0,0,0|2,0,0]=4 758 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100020586998_100000185958 [1,1,0,0,0,0|2,0,0]=4 759 B13R1.24 C=CCNC[C@@H](O)c1ccccc1 2230a_100020586998_100011933945 [1,1,0,0,0,0|2,0,0]=4 760 B13R1.24 C=CCOCC(C)c1ccccc1 34a_100011215166_100015514636 [1,1,0,0,0,0|2,0,0]=4 761 B13R1.24 C=CCOCC(C)c1ccccc1 34a_200000210373_100000756946 [1,1,0,0,0,0|2,0,0]=4 762 B13R1.24 C=CCOCC(C)c1ccccc1 7a_100011215166_100015514636 [1,1,0,0,0,0|2,0,0]=4 763 B13R1.24 C=CCOCC(O)c1ccccc1 34a_200000210373_100000185958 [1,1,0,0,0,0|1,0,0]=3 764 B13R1.24 C=CCOC[C@@H](N)c1ccccc1 34a_100000751927_100015514636 [1,1,0,0,0,0|2,0,0]=4 765 B13R1.24 C=CCOC[C@@H](O)c1ccccc1 34a_200000210373_100011933945 [1,1,0,0,0,0|1,0,0]=3 766 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000185958_100000210623 [1,1,0,0,0,0|1,1,0]=4 767 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000210623_100000185958 [1,1,0,0,0,0|1,1,0]=4 768 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100000210623_100011933945 [1,1,0,0,0,0|1,1,0]=4 769 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210623 [1,1,0,0,0,0|1,1,0]=4 770 B13R1.24 CC(CNCC=O)c1ccccc1 2230a_100000701038_200015260668 [1,1,0,0,0,0|2,0,0]=4 771 B13R1.24 CC(CNCC=O)c1ccccc1 34a_100000701038_200009817547 [1,1,0,0,0,0|2,0,0]=4 772 B13R1.24 CC(COCC=O)c1ccccc1 34a_100011215166_200009817547 [1,1,0,0,0,0|1,0,0]=3 773 B13R1.24 CC(COCC=O)c1ccccc1 7a_100011215166_200015260668 [1,1,0,0,0,0|1,0,0]=3 774 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [1,1,0,0,0,0|1,0,1]=4 775 B13R1.24 CC(CSCC=O)c1ccccc1 62a_100000756946_200015260668 [1,1,0,0,0,0|1,1,0]=4 776 B13R1.24 CC(CSCC=O)c1ccccc1 62a_200015260668_100000756946 [1,1,0,0,0,0|1,1,0]=4 777 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [1,1,0,0,0,0|1,0,1]=4 778 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [1,1,0,0,0,0|1,0,1]=4 779 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [1,1,0,0,0,0|1,0,1]=4 780 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [1,1,0,0,0,0|0,0,1]=3 781 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [1,1,0,0,0,0|0,0,1]=3 782 B13R1.24 N[C@H](COCC=O)c1ccccc1 34a_100000751927_200009817547 [1,1,0,0,0,0|1,0,0]=3 783 B13R1.24 N[C@H](COCC=O)c1ccncc1 34a_100138412524_200009817547 [1,1,0,0,0,0|2,0,0]=4 784 B13R1.24 O=CCNCC(O)c1ccccc1 2230a_100000210709_200015260668 [1,1,0,0,0,0|1,0,0]=3 785 B13R1.24 O=CCNCC(O)c1ccccn1 2230a_100000691469_200015260668 [1,1,0,0,0,0|2,0,0]=4 786 B13R1.24 O=CCNCC(O)c1cccnc1 2230a_100020605170_200015260668 [1,1,0,0,0,0|2,0,0]=4 787 B13R1.24 O=CCSCC(O)c1ccccc1 62a_100000185958_200015260668 [1,1,0,0,0,0|0,1,0]=3 788 B13R1.24 O=CCSCC(O)c1ccccc1 62a_200015260668_100000185958 [1,1,0,0,0,0|0,1,0]=3 789 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_100011933945_200015260668 [1,1,0,0,0,0|0,1,0]=3 790 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_200015260668_100011933945 [1,1,0,0,0,0|0,1,0]=3 791 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [1,1,0,0,0,0|1,0,1]=4 792 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [1,1,0,0,0,0|1,0,1]=4 793 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [1,1,0,0,0,0|1,0,1]=4 794 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [1,1,0,0,0,0|1,0,1]=4 795 B13R1.26 COC(COCF)c1ccccc1 34a_100011215540_100015361967 [1,1,0,0,0,0|1,0,1]=4 796 B13R1.26 COC(COCF)c1ccccc1 7a_100011215540_100015361967 [1,1,0,0,0,0|1,0,1]=4 797 B13R1.26 O=CCN[C@H](CO)c1ccccc1 2230a_100000751927_200015260668 [1,1,0,0,0,0|2,0,0]=4 798 B13R1.26 O=CCN[C@H](CO)c1ccccc1 34a_100000751927_200009817547 [1,1,0,0,0,0|2,0,0]=4 799 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [1,1,0,0,0,0|2,0,0]=4 800 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [1,1,0,0,0,0|2,0,0]=4 801 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [1,1,0,0,0,0|2,0,0]=4 802 B13R1.149 CC(=O)NCCc1cccc(c1)Br 11a_100011207229_100015343762 [1,1,0,0,0,0|2,0,0]=4 803 B13R1.149 CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100015343762 [1,1,0,0,0,0|2,0,0]=4 804 B13R1.149 CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100015343762 [1,1,0,0,0,0|2,0,0]=4 805 B13R1.149 CC(=O)NCCc1cccc(c1)Br 527a_100011207229_100103153847 [1,1,0,0,0,0|2,0,0]=4 806 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [1,1,0,0,0,0|2,0,0]=4 807 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [1,1,0,0,0,0|2,0,0]=4 808 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [1,1,0,0,0,0|2,0,0]=4 809 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [1,1,0,0,0,0|2,0,0]=4 810 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100015343762 [1,1,0,0,0,0|2,0,0]=4 811 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100015343762 [1,1,0,0,0,0|2,0,0]=4 812 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100015343762 [1,1,0,0,0,0|2,0,0]=4 813 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100103153847 [1,1,0,0,0,0|2,0,0]=4 814 B13R1.149 CC(=O)NCCc1cccc(c1)F 11a_100000205154_100015343762 [1,1,0,0,0,0|2,0,0]=4 815 B13R1.149 CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100015343762 [1,1,0,0,0,0|2,0,0]=4 816 B13R1.149 CC(=O)NCCc1cccc(c1)F 240690a_100000205154_100015343762 [1,1,0,0,0,0|2,0,0]=4 817 B13R1.149 CC(=O)NCCc1cccc(c1)F 527a_100000205154_100103153847 [1,1,0,0,0,0|2,0,0]=4 818 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [1,1,0,0,0,0|2,0,0]=4 819 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [1,1,0,0,0,0|2,0,0]=4 820 B13R1.149 CC(=O)OCNc1cccc(c1)Br 34a_100000210019_100009813279 [1,1,0,0,0,0|2,0,0]=4 821 B13R1.149 CC(=O)OCNc1cccc(c1)C 34a_100000188690_100009813279 [1,1,0,0,0,0|2,0,0]=4 822 B13R1.149 CC(=O)OCNc1cccc(c1)Cl 34a_100000185859_100009813279 [1,1,0,0,0,0|2,0,0]=4 823 B13R1.149 CC(=O)OCNc1cccc(c1)F 34a_100000210047_100009813279 [1,1,0,0,0,0|2,0,0]=4 824 B13R1.149 CC(=O)OCNc1cccc(c1)I 34a_100000211102_100009813279 [1,1,0,0,0,0|2,0,0]=4 825 B13R1.149 CC(=O)OCNc1cccc(c1)O 34a_100000210217_100009813279 [1,1,0,0,0,0|2,0,0]=4 826 B13R1.149 CC(=O)OCOc1cccc(c1)Br 34a_100000210342_100009813279 [1,1,0,0,0,0|2,0,0]=4 827 B13R1.149 CC(=O)OCOc1cccc(c1)C 34a_100000210337_100009813279 [1,1,0,0,0,0|2,0,0]=4 828 B13R1.149 CC(=O)OCOc1cccc(c1)Cl 34a_100000210295_100009813279 [1,1,0,0,0,0|2,0,0]=4 829 B13R1.149 CC(=O)OCOc1cccc(c1)F 34a_100000210426_100009813279 [1,1,0,0,0,0|2,0,0]=4 830 B13R1.149 CC(=O)OCOc1cccc(c1)I 34a_100000211634_100009813279 [1,1,0,0,0,0|2,0,0]=4 831 B13R1.149 CC(=O)OCOc1cccc(c1)N 34a_100000210217_100009813279 [1,1,0,0,0,0|2,0,0]=4 832 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000076356_100000691529 [1,1,0,0,0,0|2,0,0]=4 833 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000076356 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100000076356_100011215228 [1,1,0,0,0,0|2,0,0]=4 835 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100011215228_100000076356 [1,1,0,0,0,0|2,0,0]=4 836 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000076356_100000699651 [1,1,0,0,0,0|2,0,0]=4 837 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000076356 [1,1,0,0,0,0|2,0,0]=4 838 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000076356_100000685547 [1,1,0,0,0,0|2,0,0]=4 839 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000685547_100000076356 [1,1,0,0,0,0|2,0,0]=4 840 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000076356_100000210019 [1,1,0,0,0,0|2,0,0]=4 841 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000210019_100000076356 [1,1,0,0,0,0|2,0,0]=4 842 B13R1.149 CC(=O)OCSc1cccc(c1)O 62a_100000076356_100000211634 [1,1,0,0,0,0|2,0,0]=4 843 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_100000076356_114929384022 [1,1,0,0,0,0|2,0,0]=4 844 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000076356 [1,1,0,0,0,0|2,0,0]=4 845 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000185548_100000747473 [1,1,0,0,0,0|2,0,0]=4 846 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000711301_100000211840 [1,1,0,0,0,0|2,0,0]=4 847 B13R1.149 Cc1cccc(c1)CNCC(=O)N 34a_100000185548_100000187820 [1,1,0,0,0,0|2,0,0]=4 848 B13R1.149 Cc1cccc(c1)COCC(=O)N 34a_100011217746_100000187820 [1,1,0,0,0,0|2,0,0]=4 849 B13R1.149 Cc1cccc(c1)COCC(=O)N 7a_100011217746_100000187820 [1,1,0,0,0,0|2,0,0]=4 850 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000211840_100000747473 [1,1,0,0,0,0|2,0,0]=4 851 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000747473_100000211840 [1,1,0,0,0,0|2,0,0]=4 852 B13R1.149 Cc1cccc(c1)NCCC(=O)N 2230a_100000188690_100000744528 [1,1,0,0,0,0|2,0,0]=4 853 B13R1.149 Cc1cccc(c1)NCCC(=O)N 34a_100000188690_100000731001 [1,1,0,0,0,0|2,0,0]=4 854 B13R1.149 Cc1cccc(c1)OCCC(=O)N 34a_100000210337_100000731001 [1,1,0,0,0,0|2,0,0]=4 855 B13R1.149 Cc1cccc(c1)OCCC(=O)N 7a_100000210337_100000744528 [1,1,0,0,0,0|2,0,0]=4 856 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215228 [1,1,0,0,0,0|2,0,0]=4 857 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100011215228_100000744528 [1,1,0,0,0,0|2,0,0]=4 858 B13R1.149 NC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000731001 [1,1,0,0,0,0|2,0,0]=4 859 B13R1.149 NC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000731001 [1,1,0,0,0,0|2,0,0]=4 860 B13R1.149 NC(=O)CCNc1cccc(c1)F 34a_100000210047_100000731001 [1,1,0,0,0,0|2,0,0]=4 861 B13R1.149 NC(=O)CCNc1cccc(c1)I 34a_100000211102_100000731001 [1,1,0,0,0,0|2,0,0]=4 862 B13R1.149 NC(=O)CCNc1cccc(c1)O 34a_100000210217_100000731001 [1,1,0,0,0,0|2,0,0]=4 863 B13R1.149 NC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000731001 [1,1,0,0,0,0|2,0,0]=4 864 B13R1.149 NC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000744528 [1,1,0,0,0,0|2,0,0]=4 865 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000731001 [1,1,0,0,0,0|2,0,0]=4 866 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000744528 [1,1,0,0,0,0|2,0,0]=4 867 B13R1.149 NC(=O)CCOc1cccc(c1)F 34a_100000210426_100000731001 [1,1,0,0,0,0|2,0,0]=4 868 B13R1.149 NC(=O)CCOc1cccc(c1)F 7a_100000210426_100000744528 [1,1,0,0,0,0|2,0,0]=4 869 B13R1.149 NC(=O)CCOc1cccc(c1)I 34a_100000211634_100000731001 [1,1,0,0,0,0|2,0,0]=4 870 B13R1.149 NC(=O)CCOc1cccc(c1)I 7a_100000211634_100000744528 [1,1,0,0,0,0|2,0,0]=4 871 B13R1.149 NC(=O)CCOc1cccc(c1)N 34a_100000210217_100000731001 [1,1,0,0,0,0|2,0,0]=4 872 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000744528 [1,1,0,0,0,0|2,0,0]=4 873 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000744528_100000691529 [1,1,0,0,0,0|2,0,0]=4 874 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000744528 [1,1,0,0,0,0|2,0,0]=4 875 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000744528_100000699651 [1,1,0,0,0,0|2,0,0]=4 876 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000685547_100000744528 [1,1,0,0,0,0|2,0,0]=4 877 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000744528_100000685547 [1,1,0,0,0,0|2,0,0]=4 878 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000210019_100000744528 [1,1,0,0,0,0|2,0,0]=4 879 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000744528_100000210019 [1,1,0,0,0,0|2,0,0]=4 880 B13R1.149 NC(=O)CCSc1cccc(c1)O 62a_100000744528_100000211634 [1,1,0,0,0,0|2,0,0]=4 881 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_100000744528_114929384022 [1,1,0,0,0,0|2,0,0]=4 882 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000744528 [1,1,0,0,0,0|2,0,0]=4 883 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747473 [1,1,0,0,0,0|2,0,0]=4 884 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000711301_100000698116 [1,1,0,0,0,0|2,0,0]=4 885 B13R1.149 NC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000187820 [1,1,0,0,0,0|2,0,0]=4 886 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747473 [1,1,0,0,0,0|2,0,0]=4 887 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000711301_100000181238 [1,1,0,0,0,0|2,0,0]=4 888 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000187820 [1,1,0,0,0,0|2,0,0]=4 889 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747473 [1,1,0,0,0,0|2,0,0]=4 890 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000711301_100000230114 [1,1,0,0,0,0|2,0,0]=4 891 B13R1.149 NC(=O)CNCc1cccc(c1)F 34a_100000174948_100000187820 [1,1,0,0,0,0|2,0,0]=4 892 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747473 [1,1,0,0,0,0|2,0,0]=4 893 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000711301_100011218688 [1,1,0,0,0,0|2,0,0]=4 894 B13R1.149 NC(=O)CNCc1cccc(c1)I 34a_100000106179_100000187820 [1,1,0,0,0,0|2,0,0]=4 895 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000711301_100011660834 [1,1,0,0,0,0|2,0,0]=4 896 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747473 [1,1,0,0,0,0|2,0,0]=4 897 B13R1.149 NC(=O)CNCc1cccc(c1)O 34a_100000743036_100000187820 [1,1,0,0,0,0|2,0,0]=4 898 B13R1.149 NC(=O)COCc1cccc(c1)Br 34a_100000687537_100000187820 [1,1,0,0,0,0|2,0,0]=4 899 B13R1.149 NC(=O)COCc1cccc(c1)Br 7a_100000687537_100000187820 [1,1,0,0,0,0|2,0,0]=4 900 B13R1.149 NC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000187820 [1,1,0,0,0,0|2,0,0]=4 901 B13R1.149 NC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000187820 [1,1,0,0,0,0|2,0,0]=4 902 B13R1.149 NC(=O)COCc1cccc(c1)F 34a_100000210976_100000187820 [1,1,0,0,0,0|2,0,0]=4 903 B13R1.149 NC(=O)COCc1cccc(c1)F 7a_100000210976_100000187820 [1,1,0,0,0,0|2,0,0]=4 904 B13R1.149 NC(=O)COCc1cccc(c1)I 34a_100011215336_100000187820 [1,1,0,0,0,0|2,0,0]=4 905 B13R1.149 NC(=O)COCc1cccc(c1)I 7a_100011215336_100000187820 [1,1,0,0,0,0|2,0,0]=4 906 B13R1.149 NC(=O)COCc1cccc(c1)N 34a_100000211919_100000187820 [1,1,0,0,0,0|2,0,0]=4 907 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747473 [1,1,0,0,0,0|2,0,0]=4 908 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000747473_100000211773 [1,1,0,0,0,0|2,0,0]=4 909 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747473 [1,1,0,0,0,0|2,0,0]=4 910 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000747473_100000187163 [1,1,0,0,0,0|2,0,0]=4 911 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747473 [1,1,0,0,0,0|2,0,0]=4 912 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000747473_100000230114 [1,1,0,0,0,0|2,0,0]=4 913 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100000747473_100011218688 [1,1,0,0,0,0|2,0,0]=4 914 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747473 [1,1,0,0,0,0|2,0,0]=4 915 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100000747473_100011660834 [1,1,0,0,0,0|2,0,0]=4 916 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747473 [1,1,0,0,0,0|2,0,0]=4 917 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [1,1,0,0,0,0|2,0,0]=4 918 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [1,1,0,0,0,0|2,0,0]=4 919 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [1,1,0,0,0,0|2,0,0]=4 920 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [1,1,0,0,0,0|2,0,0]=4 921 B13R1.158 CC(=O)NCCc1ccccc1Br 11a_100000747383_100015343762 [1,1,0,0,0,0|2,0,0]=4 922 B13R1.158 CC(=O)NCCc1ccccc1Br 1626a_100000747383_100015343762 [1,1,0,0,0,0|2,0,0]=4 923 B13R1.158 CC(=O)NCCc1ccccc1Br 240690a_100000747383_100015343762 [1,1,0,0,0,0|2,0,0]=4 924 B13R1.158 CC(=O)NCCc1ccccc1Br 527a_100000747383_100103153847 [1,1,0,0,0,0|2,0,0]=4 925 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [1,1,0,0,0,0|2,0,0]=4 926 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [1,1,0,0,0,0|2,0,0]=4 927 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [1,1,0,0,0,0|2,0,0]=4 928 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [1,1,0,0,0,0|2,0,0]=4 929 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [1,1,0,0,0,0|2,0,0]=4 930 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [1,1,0,0,0,0|2,0,0]=4 931 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [1,1,0,0,0,0|2,0,0]=4 932 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [1,1,0,0,0,0|2,0,0]=4 933 B13R1.158 CC(=O)NCCc1ccccc1F 11a_100000185272_100015343762 [1,1,0,0,0,0|2,0,0]=4 934 B13R1.158 CC(=O)NCCc1ccccc1F 1626a_100000185272_100015343762 [1,1,0,0,0,0|2,0,0]=4 935 B13R1.158 CC(=O)NCCc1ccccc1F 240690a_100000185272_100015343762 [1,1,0,0,0,0|2,0,0]=4 936 B13R1.158 CC(=O)NCCc1ccccc1F 527a_100000185272_100103153847 [1,1,0,0,0,0|2,0,0]=4 937 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [1,1,0,0,0,0|2,0,0]=4 938 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [1,1,0,0,0,0|2,0,0]=4 939 B13R1.158 CC(=O)OCNc1ccccc1Br 34a_100000210017_100009813279 [1,1,0,0,0,0|2,0,0]=4 940 B13R1.158 CC(=O)OCNc1ccccc1C 34a_100015192222_100009813279 [1,1,0,0,0,0|2,0,0]=4 941 B13R1.158 CC(=O)OCNc1ccccc1Cl 34a_100000185783_100009813279 [1,1,0,0,0,0|2,0,0]=4 942 B13R1.158 CC(=O)OCNc1ccccc1F 34a_100000210422_100009813279 [1,1,0,0,0,0|2,0,0]=4 943 B13R1.158 CC(=O)OCNc1ccccc1I 34a_100000210053_100009813279 [1,1,0,0,0,0|2,0,0]=4 944 B13R1.158 CC(=O)OCNc1ccccc1O 34a_100000185747_100009813279 [1,1,0,0,0,0|2,0,0]=4 945 B13R1.158 CC(=O)OCOc1ccccc1Br 34a_100000181306_100009813279 [1,1,0,0,0,0|2,0,0]=4 946 B13R1.158 CC(=O)OCOc1ccccc1C 34a_100000210338_100009813279 [1,1,0,0,0,0|2,0,0]=4 947 B13R1.158 CC(=O)OCOc1ccccc1Cl 34a_100000210172_100009813279 [1,1,0,0,0,0|2,0,0]=4 948 B13R1.158 CC(=O)OCOc1ccccc1F 34a_100000210171_100009813279 [1,1,0,0,0,0|2,0,0]=4 949 B13R1.158 CC(=O)OCOc1ccccc1I 34a_100000739446_100009813279 [1,1,0,0,0,0|2,0,0]=4 950 B13R1.158 CC(=O)OCOc1ccccc1N 34a_100000185747_100009813279 [1,1,0,0,0,0|2,0,0]=4 951 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000076356_100000695589 [1,1,0,0,0,0|2,0,0]=4 952 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000695589_100000076356 [1,1,0,0,0,0|2,0,0]=4 953 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000076356_100000210755 [1,1,0,0,0,0|2,0,0]=4 954 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000210755_100000076356 [1,1,0,0,0,0|2,0,0]=4 955 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000076356_100000764095 [1,1,0,0,0,0|2,0,0]=4 956 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000764095_100000076356 [1,1,0,0,0,0|2,0,0]=4 957 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100000076356_100011215700 [1,1,0,0,0,0|2,0,0]=4 958 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100011215700_100000076356 [1,1,0,0,0,0|2,0,0]=4 959 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000076356_100000210017 [1,1,0,0,0,0|2,0,0]=4 960 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000210017_100000076356 [1,1,0,0,0,0|2,0,0]=4 961 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000076356_100000739446 [1,1,0,0,0,0|2,0,0]=4 962 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000739446_100000076356 [1,1,0,0,0,0|2,0,0]=4 963 B13R1.158 Cc1ccccc1CNCC(=O)N 2230a_100000711301_100000211839 [1,1,0,0,0,0|2,0,0]=4 964 B13R1.158 Cc1ccccc1CNCC(=O)N 34a_100000174972_100000187820 [1,1,0,0,0,0|2,0,0]=4 965 B13R1.158 Cc1ccccc1COCC(=O)N 34a_100000698903_100000187820 [1,1,0,0,0,0|2,0,0]=4 966 B13R1.158 Cc1ccccc1COCC(=O)N 7a_100000698903_100000187820 [1,1,0,0,0,0|2,0,0]=4 967 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000211839_100000747473 [1,1,0,0,0,0|2,0,0]=4 968 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000747473_100000211839 [1,1,0,0,0,0|2,0,0]=4 969 B13R1.158 Cc1ccccc1NCCC(=O)N 34a_100015192222_100000731001 [1,1,0,0,0,0|2,0,0]=4 970 B13R1.158 Cc1ccccc1OCCC(=O)N 34a_100000210338_100000731001 [1,1,0,0,0,0|2,0,0]=4 971 B13R1.158 Cc1ccccc1OCCC(=O)N 7a_100000210338_100000744528 [1,1,0,0,0,0|2,0,0]=4 972 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000210755_100000744528 [1,1,0,0,0,0|2,0,0]=4 973 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000744528_100000210755 [1,1,0,0,0,0|2,0,0]=4 974 B13R1.158 NC(=O)CCNc1ccccc1Br 34a_100000210017_100000731001 [1,1,0,0,0,0|2,0,0]=4 975 B13R1.158 NC(=O)CCNc1ccccc1Cl 34a_100000185783_100000731001 [1,1,0,0,0,0|2,0,0]=4 976 B13R1.158 NC(=O)CCNc1ccccc1F 34a_100000210422_100000731001 [1,1,0,0,0,0|2,0,0]=4 977 B13R1.158 NC(=O)CCNc1ccccc1I 34a_100000210053_100000731001 [1,1,0,0,0,0|2,0,0]=4 978 B13R1.158 NC(=O)CCNc1ccccc1O 34a_100000185747_100000731001 [1,1,0,0,0,0|2,0,0]=4 979 B13R1.158 NC(=O)CCOc1ccccc1Br 34a_100000181306_100000731001 [1,1,0,0,0,0|2,0,0]=4 980 B13R1.158 NC(=O)CCOc1ccccc1Br 7a_100000181306_100000744528 [1,1,0,0,0,0|2,0,0]=4 981 B13R1.158 NC(=O)CCOc1ccccc1Cl 34a_100000210172_100000731001 [1,1,0,0,0,0|2,0,0]=4 982 B13R1.158 NC(=O)CCOc1ccccc1Cl 7a_100000210172_100000744528 [1,1,0,0,0,0|2,0,0]=4 983 B13R1.158 NC(=O)CCOc1ccccc1F 34a_100000210171_100000731001 [1,1,0,0,0,0|2,0,0]=4 984 B13R1.158 NC(=O)CCOc1ccccc1F 7a_100000210171_100000744528 [1,1,0,0,0,0|2,0,0]=4 985 B13R1.158 NC(=O)CCOc1ccccc1I 34a_100000739446_100000731001 [1,1,0,0,0,0|2,0,0]=4 986 B13R1.158 NC(=O)CCOc1ccccc1I 7a_100000739446_100000744528 [1,1,0,0,0,0|2,0,0]=4 987 B13R1.158 NC(=O)CCOc1ccccc1N 34a_100000185747_100000731001 [1,1,0,0,0,0|2,0,0]=4 988 B13R1.158 NC(=O)CCOc1ccccc1N 7a_100000185747_100000744528 [1,1,0,0,0,0|2,0,0]=4 989 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000695589_100000744528 [1,1,0,0,0,0|2,0,0]=4 990 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000744528_100000695589 [1,1,0,0,0,0|2,0,0]=4 991 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000744528_100000764095 [1,1,0,0,0,0|2,0,0]=4 992 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000764095_100000744528 [1,1,0,0,0,0|2,0,0]=4 993 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100000744528_100011215700 [1,1,0,0,0,0|2,0,0]=4 994 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100011215700_100000744528 [1,1,0,0,0,0|2,0,0]=4 995 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000210017_100000744528 [1,1,0,0,0,0|2,0,0]=4 996 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000744528_100000210017 [1,1,0,0,0,0|2,0,0]=4 997 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000739446_100000744528 [1,1,0,0,0,0|2,0,0]=4 998 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000744528_100000739446 [1,1,0,0,0,0|2,0,0]=4 999 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747473 [1,1,0,0,0,0|2,0,0]=4 1000 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000711301_100000184730 [1,1,0,0,0,0|2,0,0]=4 1001 B13R1.158 NC(=O)CNCc1ccccc1Br 34a_100000689332_100000187820 [1,1,0,0,0,0|2,0,0]=4 1002 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747473 [1,1,0,0,0,0|2,0,0]=4 1003 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000711301_100000187162 [1,1,0,0,0,0|2,0,0]=4 1004 B13R1.158 NC(=O)CNCc1ccccc1Cl 34a_100000174879_100000187820 [1,1,0,0,0,0|2,0,0]=4 1005 B13R1.158 NC(=O)CNCc1ccccc1F 2230a_100000711301_100000211605 [1,1,0,0,0,0|2,0,0]=4 1006 B13R1.158 NC(=O)CNCc1ccccc1F 34a_100000174869_100000187820 [1,1,0,0,0,0|2,0,0]=4 1007 B13R1.158 NC(=O)CNCc1ccccc1I 2230a_100000711301_100011215278 [1,1,0,0,0,0|2,0,0]=4 1008 B13R1.158 NC(=O)CNCc1ccccc1O 34a_100000185550_100000187820 [1,1,0,0,0,0|2,0,0]=4 1009 B13R1.158 NC(=O)COCc1ccccc1Br 34a_100000756307_100000187820 [1,1,0,0,0,0|2,0,0]=4 1010 B13R1.158 NC(=O)COCc1ccccc1Br 7a_100000756307_100000187820 [1,1,0,0,0,0|2,0,0]=4 1011 B13R1.158 NC(=O)COCc1ccccc1Cl 34a_100000210847_100000187820 [1,1,0,0,0,0|2,0,0]=4 1012 B13R1.158 NC(=O)COCc1ccccc1Cl 7a_100000210847_100000187820 [1,1,0,0,0,0|2,0,0]=4 1013 B13R1.158 NC(=O)COCc1ccccc1F 34a_100000211962_100000187820 [1,1,0,0,0,0|2,0,0]=4 1014 B13R1.158 NC(=O)COCc1ccccc1F 7a_100000211962_100000187820 [1,1,0,0,0,0|2,0,0]=4 1015 B13R1.158 NC(=O)COCc1ccccc1I 34a_100000187465_100000187820 [1,1,0,0,0,0|2,0,0]=4 1016 B13R1.158 NC(=O)COCc1ccccc1I 7a_100000187465_100000187820 [1,1,0,0,0,0|2,0,0]=4 1017 B13R1.158 NC(=O)COCc1ccccc1N 34a_100000212039_100000187820 [1,1,0,0,0,0|2,0,0]=4 1018 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000184730_100000747473 [1,1,0,0,0,0|2,0,0]=4 1019 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000747473_100000184730 [1,1,0,0,0,0|2,0,0]=4 1020 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747473 [1,1,0,0,0,0|2,0,0]=4 1021 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000747473_100000187162 [1,1,0,0,0,0|2,0,0]=4 1022 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000211605_100000747473 [1,1,0,0,0,0|2,0,0]=4 1023 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000747473_100000211605 [1,1,0,0,0,0|2,0,0]=4 1024 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100000747473_100011216222 [1,1,0,0,0,0|2,0,0]=4 1025 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100011216222_100000747473 [1,1,0,0,0,0|2,0,0]=4 1026 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [1,1,0,0,0,0|2,0,0]=4 1027 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [1,1,0,0,0,0|2,0,0]=4 1028 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [1,1,0,0,0,0|2,0,0]=4 1029 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [1,1,0,0,0,0|2,0,0]=4 1030 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [1,1,0,0,0,0|2,0,0]=4 1031 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [1,1,0,0,0,0|2,0,0]=4 1032 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [1,1,0,0,0,0|2,0,0]=4 1033 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [1,1,0,0,0,0|2,0,0]=4 1034 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [1,1,0,0,0,0|1,0,1]=4 1035 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [1,1,0,0,0,0|2,0,0]=4 1036 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [1,1,0,0,0,0|2,0,0]=4 1038 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [1,1,0,0,0,0|2,0,0]=4 1039 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [1,1,0,0,0,0|2,0,0]=4 1040 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [1,1,0,0,0,0|2,0,0]=4 1041 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [1,1,0,0,0,0|2,0,0]=4 1042 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [1,1,0,0,0,0|2,0,0]=4 1043 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [1,1,0,0,0,0|2,0,0]=4 1044 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [1,1,0,0,0,0|2,0,0]=4 1045 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [1,1,0,0,0,0|2,0,0]=4 1046 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [1,1,0,0,0,0|2,0,0]=4 1047 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [1,1,0,0,0,0|2,0,0]=4 1048 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [1,1,0,0,0,0|2,0,0]=4 1049 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [1,1,0,0,0,0|2,0,0]=4 1050 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [1,1,0,0,0,0|2,0,0]=4 1051 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [1,1,0,0,0,0|2,0,0]=4 1052 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [1,1,0,0,0,0|2,0,0]=4 1053 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [1,1,0,0,0,0|2,0,0]=4 1054 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [1,1,0,0,0,0|2,0,0]=4 1055 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [1,1,0,0,0,0|2,0,0]=4 1056 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [1,1,0,0,0,0|2,0,0]=4 1057 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [1,1,0,0,0,0|2,0,0]=4 1058 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [1,1,0,0,0,0|2,0,0]=4 1059 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [1,1,0,0,0,0|2,0,0]=4 1060 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [1,1,0,0,0,0|2,0,0]=4 1061 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [1,1,0,0,0,0|2,0,0]=4 1062 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [1,1,0,0,0,0|2,0,0]=4 1063 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [1,1,0,0,0,0|2,0,0]=4 1064 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [1,1,0,0,0,0|2,0,0]=4 1065 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [1,1,0,0,0,0|2,0,0]=4 1066 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [1,1,0,0,0,0|2,0,0]=4 1067 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [1,1,0,0,0,0|2,0,0]=4 1068 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [1,1,0,0,0,0|2,0,0]=4 1069 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [1,1,0,0,0,0|2,0,0]=4 1070 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100015343762 [1,1,0,0,0,0|2,0,0]=4 1071 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100015343762 [1,1,0,0,0,0|2,0,0]=4 1072 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100015343762 [1,1,0,0,0,0|2,0,0]=4 1073 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100103153847 [1,1,0,0,0,0|2,0,0]=4 1074 B13R1.513 CC(=O)NCCc1ccc(cc1)C 11a_100000705350_100015343762 [1,1,0,0,0,0|2,0,0]=4 1075 B13R1.513 CC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100015343762 [1,1,0,0,0,0|2,0,0]=4 1076 B13R1.513 CC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100015343762 [1,1,0,0,0,0|2,0,0]=4 1077 B13R1.513 CC(=O)NCCc1ccc(cc1)C 527a_100000705350_100103153847 [1,1,0,0,0,0|2,0,0]=4 1078 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100015343762 [1,1,0,0,0,0|2,0,0]=4 1079 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100015343762 [1,1,0,0,0,0|2,0,0]=4 1080 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100015343762 [1,1,0,0,0,0|2,0,0]=4 1081 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100103153847 [1,1,0,0,0,0|2,0,0]=4 1082 B13R1.513 CC(=O)NCCc1ccc(cc1)F 11a_100000199005_100015343762 [1,1,0,0,0,0|2,0,0]=4 1083 B13R1.513 CC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100015343762 [1,1,0,0,0,0|2,0,0]=4 1084 B13R1.513 CC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100015343762 [1,1,0,0,0,0|2,0,0]=4 1085 B13R1.513 CC(=O)NCCc1ccc(cc1)F 527a_100000199005_100103153847 [1,1,0,0,0,0|2,0,0]=4 1086 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [1,1,0,0,0,0|2,0,0]=4 1087 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [1,1,0,0,0,0|2,0,0]=4 1088 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [1,1,0,0,0,0|1,0,0]=3 1089 B13R1.513 CC(=O)OCNc1ccc(cc1)Br 34a_100000210018_100009813279 [1,1,0,0,0,0|2,0,0]=4 1090 B13R1.513 CC(=O)OCNc1ccc(cc1)C 34a_100000124888_100009813279 [1,1,0,0,0,0|2,0,0]=4 1091 B13R1.513 CC(=O)OCNc1ccc(cc1)Cl 34a_100000210052_100009813279 [1,1,0,0,0,0|2,0,0]=4 1092 B13R1.513 CC(=O)OCNc1ccc(cc1)F 34a_100000185862_100009813279 [1,1,0,0,0,0|2,0,0]=4 1093 B13R1.513 CC(=O)OCNc1ccc(cc1)I 34a_100000185761_100009813279 [1,1,0,0,0,0|2,0,0]=4 1094 B13R1.513 CC(=O)OCNc1ccc(cc1)O 34a_100000185829_100009813279 [1,1,0,0,0,0|2,0,0]=4 1095 B13R1.513 CC(=O)OCOc1ccc(cc1)Br 34a_100000185759_100009813279 [1,1,0,0,0,0|2,0,0]=4 1096 B13R1.513 CC(=O)OCOc1ccc(cc1)C 34a_100000210336_100009813279 [1,1,0,0,0,0|2,0,0]=4 1097 B13R1.513 CC(=O)OCOc1ccc(cc1)Cl 34a_100000210216_100009813279 [1,1,0,0,0,0|2,0,0]=4 1098 B13R1.513 CC(=O)OCOc1ccc(cc1)F 34a_100000210339_100009813279 [1,1,0,0,0,0|2,0,0]=4 1099 B13R1.513 CC(=O)OCOc1ccc(cc1)I 34a_100000212066_100009813279 [1,1,0,0,0,0|2,0,0]=4 1100 B13R1.513 CC(=O)OCOc1ccc(cc1)N 34a_100000185829_100009813279 [1,1,0,0,0,0|2,0,0]=4 1101 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000076356_100000752885 [1,1,0,0,0,0|2,0,0]=4 1102 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000076356 [1,1,0,0,0,0|2,0,0]=4 1103 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000076356_100000186775 [1,1,0,0,0,0|2,0,0]=4 1104 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000076356 [1,1,0,0,0,0|2,0,0]=4 1105 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000076356_100000755918 [1,1,0,0,0,0|2,0,0]=4 1106 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000076356 [1,1,0,0,0,0|2,0,0]=4 1107 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000076356_100000211213 [1,1,0,0,0,0|2,0,0]=4 1108 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000076356 [1,1,0,0,0,0|2,0,0]=4 1109 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000076356_100000185761 [1,1,0,0,0,0|2,0,0]=4 1110 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000076356 [1,1,0,0,0,0|2,0,0]=4 1111 B13R1.513 CC(=O)OCSc1ccc(cc1)O 62a_100000076356_100000185759 [1,1,0,0,0,0|2,0,0]=4 1112 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000174908_100000747473 [1,1,0,0,0,0|2,0,0]=4 1114 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000210814 [1,1,0,0,0,0|2,0,0]=4 1115 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 34a_100000174908_100000187820 [1,1,0,0,0,0|2,0,0]=4 1116 B13R1.513 Cc1ccc(cc1)COCC(=O)N 34a_100011215236_100000187820 [1,1,0,0,0,0|2,0,0]=4 1117 B13R1.513 Cc1ccc(cc1)COCC(=O)N 7a_100011215236_100000187820 [1,1,0,0,0,0|2,0,0]=4 1118 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000210814_100000747473 [1,1,0,0,0,0|2,0,0]=4 1119 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000210814 [1,1,0,0,0,0|2,0,0]=4 1120 B13R1.513 Cc1ccc(cc1)NCCC(=O)N 34a_100000124888_100000731001 [1,1,0,0,0,0|2,0,0]=4 1121 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 34a_100000210336_100000731001 [1,1,0,0,0,0|2,0,0]=4 1122 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 7a_100000210336_100000744528 [1,1,0,0,0,0|2,0,0]=4 1123 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000186775_100000744528 [1,1,0,0,0,0|2,0,0]=4 1124 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000186775 [1,1,0,0,0,0|2,0,0]=4 1125 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000744528 [1,1,0,0,0,0|2,0,0]=4 1126 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000731001 [1,1,0,0,0,0|2,0,0]=4 1127 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000744528 [1,1,0,0,0,0|2,0,0]=4 1128 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000731001 [1,1,0,0,0,0|2,0,0]=4 1129 B13R1.513 NC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000731001 [1,1,0,0,0,0|2,0,0]=4 1130 B13R1.513 NC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000731001 [1,1,0,0,0,0|2,0,0]=4 1131 B13R1.513 NC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000731001 [1,1,0,0,0,0|2,0,0]=4 1132 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [1,1,0,0,0,0|2,0,0]=4 1133 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [1,1,0,0,0,0|2,0,0]=4 1134 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [1,1,0,0,0,0|2,0,0]=4 1135 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [1,1,0,0,0,0|2,0,0]=4 1136 B13R1.513 NC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731001 [1,1,0,0,0,0|2,0,0]=4 1137 B13R1.513 NC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731001 [1,1,0,0,0,0|2,0,0]=4 1138 B13R1.513 NC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000744528 [1,1,0,0,0,0|2,0,0]=4 1139 B13R1.513 NC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731001 [1,1,0,0,0,0|2,0,0]=4 1140 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000744528_100000752885 [1,1,0,0,0,0|2,0,0]=4 1141 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000744528 [1,1,0,0,0,0|2,0,0]=4 1142 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000744528_100000755918 [1,1,0,0,0,0|2,0,0]=4 1143 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000744528 [1,1,0,0,0,0|2,0,0]=4 1144 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000744528 [1,1,0,0,0,0|2,0,0]=4 1145 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000744528_100000211213 [1,1,0,0,0,0|2,0,0]=4 1146 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000744528 [1,1,0,0,0,0|2,0,0]=4 1147 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000744528_100000185761 [1,1,0,0,0,0|2,0,0]=4 1148 B13R1.513 NC(=O)CCSc1ccc(cc1)O 62a_100000744528_100000185759 [1,1,0,0,0,0|2,0,0]=4 1149 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747473 [1,1,0,0,0,0|2,0,0]=4 1150 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000711301_100011217064 [1,1,0,0,0,0|2,0,0]=4 1151 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000187820 [1,1,0,0,0,0|2,0,0]=4 1152 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747473 [1,1,0,0,0,0|2,0,0]=4 1153 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000711301_100000694040 [1,1,0,0,0,0|2,0,0]=4 1154 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000187820 [1,1,0,0,0,0|2,0,0]=4 1155 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747473 [1,1,0,0,0,0|2,0,0]=4 1156 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000711301_100000198546 [1,1,0,0,0,0|2,0,0]=4 1157 B13R1.513 NC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000187820 [1,1,0,0,0,0|2,0,0]=4 1158 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100000711301_100000189116 [1,1,0,0,0,0|2,0,0]=4 1159 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747473 [1,1,0,0,0,0|2,0,0]=4 1160 B13R1.513 NC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000187820 [1,1,0,0,0,0|2,0,0]=4 1161 B13R1.513 NC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000187820 [1,1,0,0,0,0|2,0,0]=4 1162 B13R1.513 NC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000187820 [1,1,0,0,0,0|2,0,0]=4 1163 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000187820 [1,1,0,0,0,0|2,0,0]=4 1164 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000187820 [1,1,0,0,0,0|2,0,0]=4 1165 B13R1.513 NC(=O)COCc1ccc(cc1)F 34a_100000210977_100000187820 [1,1,0,0,0,0|2,0,0]=4 1166 B13R1.513 NC(=O)COCc1ccc(cc1)F 7a_100000210977_100000187820 [1,1,0,0,0,0|2,0,0]=4 1167 B13R1.513 NC(=O)COCc1ccc(cc1)I 34a_100000690907_100000187820 [1,1,0,0,0,0|2,0,0]=4 1168 B13R1.513 NC(=O)COCc1ccc(cc1)I 7a_100000690907_100000187820 [1,1,0,0,0,0|2,0,0]=4 1169 B13R1.513 NC(=O)COCc1ccc(cc1)N 34a_100011215238_100000187820 [1,1,0,0,0,0|2,0,0]=4 1170 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747473 [1,1,0,0,0,0|2,0,0]=4 1171 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000747473_100000189115 [1,1,0,0,0,0|2,0,0]=4 1172 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747473 [1,1,0,0,0,0|2,0,0]=4 1173 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000747473_100000187161 [1,1,0,0,0,0|2,0,0]=4 1174 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747473 [1,1,0,0,0,0|2,0,0]=4 1175 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000747473_100000187164 [1,1,0,0,0,0|2,0,0]=4 1176 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747473 [1,1,0,0,0,0|2,0,0]=4 1177 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000747473_100000189116 [1,1,0,0,0,0|2,0,0]=4 1178 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [1,1,0,0,0,0|2,0,0]=4 1179 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [1,1,0,0,0,0|2,0,0]=4 1180 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [1,1,0,0,0,0|2,0,0]=4 1181 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [1,1,0,0,0,0|2,0,0]=4 1182 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [1,1,0,0,0,0|2,0,0]=4 1183 B13R1.718 C#CC(=O)CCCc1ccccc1 1458a_100000211873_100000211621 [1,1,0,0,0,0|2,0,0]=4 1184 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [1,1,0,0,0,0|2,0,0]=4 1185 B13R1.718 C=CC(=O)NCCc1ccccc1 1626a_100000106460_100000185746 [1,1,0,0,0,0|2,0,0]=4 1186 B13R1.718 C=CC(=O)NCCc1ccccc1 240690a_100000106460_200121576911 [1,1,0,0,0,0|2,0,0]=4 1187 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [1,1,0,0,0,0|1,0,1]=4 1188 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [1,1,0,0,0,0|2,0,0]=4 1189 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [1,1,0,0,0,0|2,0,0]=4 1190 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [1,1,0,0,0,0|2,0,0]=4 1191 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [1,1,0,0,0,0|2,0,0]=4 1192 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [1,1,0,0,0,0|2,0,0]=4 1193 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [1,1,0,0,0,0|2,0,0]=4 1194 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [1,1,0,0,0,0|1,0,0]=3 1195 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [1,1,0,0,0,0|1,0,0]=3 1196 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [1,1,0,0,0,0|1,0,0]=3 1197 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [1,1,0,0,0,0|1,0,0]=3 1198 B13R1.718 CNC(=O)CCCc1ccccn1 11a_106832991635_100000752327 [1,1,0,0,0,0|2,0,0]=4 1199 B13R1.718 CNC(=O)CCCc1ccccn1 1626a_100102657272_100000752327 [1,1,0,0,0,0|2,0,0]=4 1200 B13R1.718 CNC(=O)CCCc1ccccn1 240690a_100102657272_100000752327 [1,1,0,0,0,0|2,0,0]=4 1201 B13R1.718 CNC(=O)CCCc1ccccn1 527a_100102657272_100000752327 [1,1,0,0,0,0|2,0,0]=4 1202 B13R1.718 CNC(=O)CCCc1ccncc1 11a_106832991635_100020654287 [1,1,0,0,0,0|2,0,0]=4 1203 B13R1.718 CNC(=O)CCCc1ccncc1 1626a_100102657272_100020654287 [1,1,0,0,0,0|2,0,0]=4 1204 B13R1.718 CNC(=O)CCCc1ccncc1 240690a_100102657272_100020654287 [1,1,0,0,0,0|2,0,0]=4 1205 B13R1.718 CNC(=O)CCCc1ccncc1 527a_100102657272_100020654287 [1,1,0,0,0,0|2,0,0]=4 1206 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [1,1,0,0,0,0|2,0,0]=4 1207 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [1,1,0,0,0,0|2,0,0]=4 1208 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [1,1,0,0,0,0|2,0,0]=4 1209 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [1,1,0,0,0,0|2,0,0]=4 1210 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [1,1,0,0,0,0|2,0,0]=4 1211 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [1,1,0,0,0,0|2,0,0]=4 1212 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [1,1,0,0,0,0|2,0,0]=4 1213 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [1,1,0,0,0,0|2,0,0]=4 1214 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [1,1,0,0,0,0|2,0,0]=4 1215 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [1,1,0,0,0,0|2,0,0]=4 1216 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [1,1,0,0,0,0|2,0,0]=4 1217 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [1,1,0,0,0,0|2,0,0]=4 1218 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [1,1,0,0,0,0|2,0,0]=4 1219 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [1,1,0,0,0,0|2,0,0]=4 1220 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [1,1,0,0,0,0|2,0,0]=4 1221 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [1,1,0,0,0,0|2,0,0]=4 1222 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [1,1,0,0,0,0|2,0,0]=4 1223 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [1,1,0,0,0,0|2,0,0]=4 1224 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [1,1,0,0,0,0|2,0,0]=4 1225 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [1,1,0,0,0,0|2,0,0]=4 1226 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [1,1,0,0,0,0|2,0,0]=4 1227 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [1,1,0,0,0,0|2,0,0]=4 1228 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [1,1,0,0,0,0|2,0,0]=4 1229 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [1,1,0,0,0,0|2,0,0]=4 1230 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [1,1,0,0,0,0|2,0,0]=4 1231 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [1,1,0,0,0,0|2,0,0]=4 1232 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [1,1,0,0,0,0|2,0,0]=4 1233 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [1,1,0,0,0,0|2,0,0]=4 1234 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [1,1,0,0,0,0|2,0,0]=4 1235 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [1,1,0,0,0,0|1,0,0]=3 1236 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [1,1,0,0,0,0|1,0,0]=3 1237 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [1,1,0,0,0,0|1,0,0]=3 1238 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [1,1,0,0,0,0|1,0,0]=3 1239 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [1,1,0,0,0,0|1,0,0]=3 1240 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [1,1,0,0,0,0|1,0,0]=3 1241 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100000211156_106832991635 [1,1,0,0,0,0|2,0,0]=4 1242 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100102657272_100000211156 [1,1,0,0,0,0|2,0,0]=4 1243 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100000211156_100102657272 [1,1,0,0,0,0|2,0,0]=4 1244 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100102657272_100000211156 [1,1,0,0,0,0|2,0,0]=4 1245 B13R1.718 CNC(=O)NCCc1ccccn1 512a_106832991638_100000211156 [1,1,0,0,0,0|2,0,0]=4 1246 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100000736294_106832991635 [1,1,0,0,0,0|2,0,0]=4 1247 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100102657272_100000736294 [1,1,0,0,0,0|2,0,0]=4 1248 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100000736294_100102657272 [1,1,0,0,0,0|2,0,0]=4 1249 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100102657272_100000736294 [1,1,0,0,0,0|2,0,0]=4 1250 B13R1.718 CNC(=O)NCCc1cccnc1 512a_100000736294_100102657272 [1,1,0,0,0,0|2,0,0]=4 1251 B13R1.718 CNC(=O)NCCc1cccnc1 512a_106832991638_100000736294 [1,1,0,0,0,0|2,0,0]=4 1252 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100000742849_106832991635 [1,1,0,0,0,0|2,0,0]=4 1253 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100102657272_100000742849 [1,1,0,0,0,0|2,0,0]=4 1254 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100000742849_100102657272 [1,1,0,0,0,0|2,0,0]=4 1255 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100102657272_100000742849 [1,1,0,0,0,0|2,0,0]=4 1256 B13R1.718 CNC(=O)NCCc1ccncc1 512a_106832991638_100000742849 [1,1,0,0,0,0|2,0,0]=4 1257 B13R1.718 CNC(=O)NNCc1ccccc1 273464a_100102657272_100000007032 [1,1,0,0,0,0|2,0,0]=4 1258 B13R1.718 CNC(=O)NNCc1ccccc1 512a_106832991638_100000007032 [1,1,0,0,0,0|2,0,0]=4 1259 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [1,1,0,0,0,0|2,0,0]=4 1260 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [1,1,0,0,0,0|2,0,0]=4 1261 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [1,1,0,0,0,0|2,0,0]=4 1262 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [1,1,0,0,0,0|2,0,0]=4 1263 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [1,1,0,0,0,0|2,0,0]=4 1264 B13R1.162 CNC(=O)NCC(O)c1ccco1 2708a_100102657272_100000738650 [0,1,0,0,1,0|2,0,0]=4 1265 B13R1.162 CNC(=O)NCC(O)c1ccco1 273464a_100102657272_100000738650 [0,1,0,0,1,0|2,0,0]=4 1266 B13R1.162 CNC(=O)NCC(O)c1ccco1 512a_106832991638_100000738650 [0,1,0,0,1,0|2,0,0]=4 1267 B13R1.162 CNC(=O)NCC(O)c1ccsc1 2708a_100102657272_100000758718 [0,1,0,0,1,0|2,0,0]=4 1268 B13R1.162 CNC(=O)NCC(O)c1ccsc1 273464a_100102657272_100000758718 [0,1,0,0,1,0|2,0,0]=4 1269 B13R1.162 CNC(=O)NCC(O)c1ccsc1 512a_106832991638_100000758718 [0,1,0,0,1,0|2,0,0]=4 1270 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,1,0,0,1,0|2,0,0]=4 1271 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,1,0,0,1,0|1,0,0]=3 1272 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,1,0,0,1,0|1,0,0]=3 1273 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000747473 [0,1,0,0,1,0|2,0,0]=4 1274 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000187820 [0,1,0,0,1,0|2,0,0]=4 1275 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000187820 [0,1,0,0,1,0|2,0,0]=4 1276 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000747473 [0,1,0,0,1,0|2,0,0]=4 1277 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000187820 [0,1,0,0,1,0|2,0,0]=4 1278 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000187820 [0,1,0,0,1,0|2,0,0]=4 1279 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000747473 [0,1,0,0,1,0|2,0,0]=4 1280 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000187820 [0,1,0,0,1,0|2,0,0]=4 1281 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 34a_100000219829_100000187820 [0,1,0,0,1,0|2,0,0]=4 1282 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000747473 [0,1,0,0,1,0|2,0,0]=4 1283 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000187820 [0,1,0,0,1,0|2,0,0]=4 1284 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 34a_100000743151_100000187820 [0,1,0,0,1,0|2,0,0]=4 1285 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000187820 [0,1,0,0,1,0|2,0,0]=4 1286 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 34a_100000182112_100000187820 [0,1,0,0,1,0|2,0,0]=4 1287 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)N 1458a_100000188618_100000187820 [0,1,0,0,1,0|0,0,2]=4 1288 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,1,0,0,1,0|2,0,0]=4 1289 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 2230a_100000219977_100000747473 [0,1,0,0,1,0|2,0,0]=4 1290 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 269982a_100000219977_100000187820 [0,1,0,0,1,0|2,0,0]=4 1291 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 34a_100000219977_100000187820 [0,1,0,0,1,0|2,0,0]=4 1292 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000187820 [0,1,0,0,1,0|0,0,2]=4 1293 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000187820 [0,1,0,0,1,0|0,0,2]=4 1294 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000187820 [0,1,0,0,1,0|0,0,2]=4 1295 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000187820 [0,1,0,0,1,0|0,0,2]=4 1296 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [0,1,0,0,1,0|0,0,2]=4 1297 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,1,0,0,1,0|1,0,0]=3 1298 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 2230a_100000219648_100000747473 [0,1,0,0,1,0|2,0,0]=4 1299 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 269982a_100000219648_100000187820 [0,1,0,0,1,0|2,0,0]=4 1300 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 34a_100000219648_100000187820 [0,1,0,0,1,0|2,0,0]=4 1301 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 2230a_100000220044_100000747473 [0,1,0,0,1,0|2,0,0]=4 1302 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 269982a_100000220044_100000187820 [0,1,0,0,1,0|2,0,0]=4 1303 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 34a_100000220044_100000187820 [0,1,0,0,1,0|2,0,0]=4 1304 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 2230a_100020633736_100000747473 [0,1,0,0,1,0|2,0,0]=4 1305 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 269982a_100020633736_100000187820 [0,1,0,0,1,0|2,0,0]=4 1306 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 34a_100020633736_100000187820 [0,1,0,0,1,0|2,0,0]=4 1307 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 2230a_100000221217_100000747473 [0,1,0,0,1,0|2,0,0]=4 1308 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 269982a_100000221217_100000187820 [0,1,0,0,1,0|2,0,0]=4 1309 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 34a_100000221217_100000187820 [0,1,0,0,1,0|2,0,0]=4 1310 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 2230a_100000756613_100000747473 [0,1,0,0,1,0|2,0,0]=4 1311 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 269982a_100000756613_100000187820 [0,1,0,0,1,0|2,0,0]=4 1312 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 34a_100000756613_100000187820 [0,1,0,0,1,0|2,0,0]=4 1313 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)N 1458a_100000189346_100000187820 [0,1,0,0,1,0|0,0,2]=4 1314 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 2230a_100000219674_100000747473 [0,1,0,0,1,0|2,0,0]=4 1315 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 269982a_100000219674_100000187820 [0,1,0,0,1,0|2,0,0]=4 1316 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 34a_100000219674_100000187820 [0,1,0,0,1,0|2,0,0]=4 1317 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000187820 [0,1,0,0,1,0|0,0,2]=4 1318 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000187820 [0,1,0,0,1,0|0,0,2]=4 1319 B13R1.147 NC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000187820 [0,1,0,0,1,0|0,0,2]=4 1320 B13R1.147 NC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000187820 [0,1,0,0,1,0|0,0,2]=4 1321 B13R1.147 NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000187820 [0,1,0,0,1,0|0,0,2]=4 1322 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,1,0,0,1,0|1,0,0]=3 1323 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [0,1,0,0,1,0|0,0,2]=4 1324 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 2230a_100000210012_100000702099 [0,1,0,0,1,0|2,0,0]=4 1325 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 269982a_100000210012_100000184083 [0,1,0,0,1,0|2,0,0]=4 1326 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 34a_100000210012_100000702099 [0,1,0,0,1,0|2,0,0]=4 1327 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 2230a_100000210012_100009813875 [0,1,0,0,1,0|2,0,0]=4 1328 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 269982a_100000210012_100009813875 [0,1,0,0,1,0|2,0,0]=4 1329 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 34a_100000210012_100009813875 [0,1,0,0,1,0|2,0,0]=4 1330 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [0,1,0,0,1,0|0,0,2]=4 1331 B13R1.201 CC(=O)CC(C)c1ccccc1Br 1458a_100000743458_200000210301 [0,1,0,0,1,0|2,0,0]=4 1332 B13R1.201 CC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_200000210301 [0,1,0,0,1,0|2,0,0]=4 1333 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Br 1458a_100000743458_200025704644 [0,1,0,0,1,0|2,0,0]=4 1334 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Cl 1458a_100012184337_200025704644 [0,1,0,0,1,0|2,0,0]=4 1335 B13R1.201 CN(CC(=O)N)c1ccccc1Br 2230a_100020606079_100000747473 [0,1,0,0,1,0|2,0,0]=4 1336 B13R1.201 CN(CC(=O)N)c1ccccc1Br 269982a_100020606079_100000187820 [0,1,0,0,1,0|2,0,0]=4 1337 B13R1.201 CN(CC(=O)N)c1ccccc1Br 34a_100020606079_100000187820 [0,1,0,0,1,0|2,0,0]=4 1338 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 2230a_100000219374_100000747473 [0,1,0,0,1,0|2,0,0]=4 1339 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 269982a_100000219374_100000187820 [0,1,0,0,1,0|2,0,0]=4 1340 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 34a_100000219374_100000187820 [0,1,0,0,1,0|2,0,0]=4 1341 B13R1.201 CN(CC(=O)N)c1ccccc1F 2230a_100000220357_100000747473 [0,1,0,0,1,0|2,0,0]=4 1342 B13R1.201 CN(CC(=O)N)c1ccccc1F 269982a_100000220357_100000187820 [0,1,0,0,1,0|2,0,0]=4 1343 B13R1.201 CN(CC(=O)N)c1ccccc1F 34a_100000220357_100000187820 [0,1,0,0,1,0|2,0,0]=4 1344 B13R1.201 CN(CC(=O)N)c1ccccc1F 38a_100000220357_100000747473 [0,1,0,0,1,0|2,0,0]=4 1345 B13R1.201 CN(CC(=O)N)c1ccccc1O 269982a_100000033821_100000187820 [0,1,0,0,1,0|2,0,0]=4 1346 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [0,1,0,0,1,0|0,0,2]=4 1347 B13R1.201 Cc1ccccc1N(C)CC(=O)N 2230a_100000219699_100000747473 [0,1,0,0,1,0|2,0,0]=4 1348 B13R1.201 Cc1ccccc1N(C)CC(=O)N 269982a_100000219699_100000187820 [0,1,0,0,1,0|2,0,0]=4 1349 B13R1.201 Cc1ccccc1N(C)CC(=O)N 34a_100000219699_100000187820 [0,1,0,0,1,0|2,0,0]=4 1350 B13R1.201 NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000187820 [0,1,0,0,1,0|0,0,2]=4 1351 B13R1.201 NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000187820 [0,1,0,0,1,0|0,0,2]=4 1352 B13R1.201 NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000187820 [0,1,0,0,1,0|0,0,2]=4 1353 B13R1.201 NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000187820 [0,1,0,0,1,0|0,0,2]=4 1354 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,1,0,0,1,0|0,0,2]=4 1355 B13R1.201 NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000187820 [0,1,0,0,1,0|0,0,2]=4 1356 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_200000210301 [0,1,0,0,1,0|2,0,0]=4 1357 B13R1.347 CC(C)(CC(=O)[13CH3])c1ccccc1 1458a_100011409233_200025704644 [0,1,0,0,1,0|2,0,0]=4 1358 B13R1.713 CC(=O)CC(C#N)c1ccccc1 1458a_200000079825_200000210301 [0,1,0,0,1,0|2,0,0]=4 1359 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,1,0,0,1,0|1,0,0]=3 1360 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [0,1,0,0,1,0|2,0,0]=4 1361 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [0,1,0,0,1,0|2,0,0]=4 1362 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000210013_100000747473 [0,1,0,0,1,0|2,0,0]=4 1363 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210202 [0,1,0,0,1,0|2,0,0]=4 1364 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000210013_100000187820 [0,1,0,0,1,0|2,0,0]=4 1365 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000204670 [0,1,0,0,1,0|2,0,0]=4 1366 B13R1.713 CCN(CC(=O)N)c1ccccc1 34a_100000210013_100000187820 [0,1,0,0,1,0|2,0,0]=4 1367 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,1,0,0,1,0|2,0,0]=4 1368 B13R1.713 NC(=O)CN(CF)c1ccccc1 269982a_100000212578_100015361967 [0,1,0,0,1,0|2,0,0]=4 1369 B13R1.713 [13CH3]C(=O)CC(C#N)c1ccccc1 1458a_200000079825_200025704644 [0,1,0,0,1,0|2,0,0]=4 1370 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,1,0,0,1,0|1,0,0]=3 1371 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,1,0,0,1,0|2,0,0]=4 1372 B15R1.490 CC(=O)COCC(F)(F)c1ccccc1 34a_100000211253_100009875531 [0,1,0,0,0,1|2,0,0]=4 1373 B15R1.490 CC(=O)OCSC(C)(C)c1ccccc1 62a_100000034625_100000076356 [0,1,0,0,0,1|2,0,0]=4 1374 B15R1.490 CC(=O)OCSC(C)(C)c1ccccc1 62a_100000076356_100000034625 [0,1,0,0,0,1|2,0,0]=4 1375 B15R1.490 CC(=O)OCSC(F)(F)c1ccccc1 62a_100000076356_100000036403 [0,1,0,0,0,1|2,0,0]=4 1376 B15R1.490 CC(C)(CNCC(=O)N)c1ccccc1 2230a_100011211644_100000747473 [0,1,0,0,0,1|2,0,0]=4 1377 B15R1.490 CC(C)(COCC(=O)N)c1ccccc1 7a_100000747608_100000187820 [0,1,0,0,0,1|1,0,0]=3 1378 B15R1.490 CC(C)(CSCC(=O)N)c1ccccc1 62a_100000703224_100000747473 [0,1,0,0,0,1|1,1,0]=4 1379 B15R1.490 CC(C)(CSCC(=O)N)c1ccccc1 62a_100000747473_100000703224 [0,1,0,0,0,1|1,1,0]=4 1380 B15R1.490 CC(C)(NCCC(=O)N)c1ccccc1 2230a_100011218174_100000744528 [0,1,0,0,0,1|2,0,0]=4 1381 B15R1.490 CC(C)(OCCC(=O)N)c1ccccc1 7a_100000694644_100000744528 [0,1,0,0,0,1|2,0,0]=4 1382 B15R1.490 CC(C)(SCCC(=O)N)c1ccccc1 62a_100000034625_100000744528 [0,1,0,0,0,1|2,0,0]=4 1383 B15R1.490 CC(C)(SCCC(=O)N)c1ccccc1 62a_100000744528_100000034625 [0,1,0,0,0,1|2,0,0]=4 1384 B15R1.490 CC(O)(CNCC(=O)N)c1ccccc1 2230a_100011660926_100000747473 [0,1,0,0,0,1|1,0,0]=3 1385 B15R1.490 NC(=O)CCOC(F)(F)c1ccccc1 7a_100000757172_100000036403 [0,1,0,0,0,1|2,0,0]=4 1386 B15R1.490 NC(=O)CCSC(F)(F)c1ccccc1 62a_100000744528_100000036403 [0,1,0,0,0,1|2,0,0]=4 1387 B15R1.490 NC(=O)CNCC(F)(F)c1ccccc1 34a_100000717977_100000187820 [0,1,0,0,0,1|2,0,0]=4 1388 B15R1.490 NC(=O)CSCC(F)(F)c1ccccc1 62a_100000747473_100009875531 [0,1,0,0,0,1|1,1,0]=4 1389 B15R1.490 NC(=O)CSCC(F)(F)c1ccccc1 62a_100009875531_100000747473 [0,1,0,0,0,1|1,1,0]=4 1390 B15R1.500 CC(=O)C(C)NCC(O)c1ccccc1 2230a_100000210709_100009814033 [0,1,0,0,0,1|2,0,0]=4 1391 B15R1.500 CC(=O)C(C)OCC(C)c1ccccc1 34a_100000212229_100000756946 [0,1,0,0,0,1|2,0,0]=4 1392 B15R1.500 CC(=O)C(C)OCC(C)c1ccccc1 7a_100011215166_100000179758 [0,1,0,0,0,1|2,0,0]=4 1393 B15R1.500 CC(=O)C(C)OCC(O)c1ccccc1 34a_100000212229_100000185958 [0,1,0,0,0,1|1,0,0]=3 1394 B15R1.500 CC(=O)C(C)OC[C@@H](O)c1ccccc1 34a_100000212229_100011933945 [0,1,0,0,0,1|1,0,0]=3 1395 B15R1.500 CC(=O)C(C)SCC(O)c1ccccc1 62a_100000185958_100009814033 [0,1,0,0,0,1|1,1,0]=4 1396 B15R1.500 CC(=O)C(C)SCC(O)c1ccccc1 62a_100009814033_100000185958 [0,1,0,0,0,1|1,1,0]=4 1397 B15R1.500 CC(=O)C(C)SC[C@@H](O)c1ccccc1 62a_100009814033_100011933945 [0,1,0,0,0,1|1,1,0]=4 1398 B15R1.500 CC(=O)C(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100009814033 [0,1,0,0,0,1|1,1,0]=4 1399 B15R1.500 CC(=O)N(C)CCC(O)c1ccccc1 240690a_100011218556_100015343762 [0,1,0,0,0,1|2,0,0]=4 1400 B15R1.500 CC(=O)N(C)CCC(O)c1ccccc1 527a_100011218556_100103153847 [0,1,0,0,0,1|2,0,0]=4 1401 B15R1.500 CC(CNC(=O)C(=O)N)c1ccccc1 240690a_100000701038_100011215815 [0,1,0,0,0,1|2,0,0]=4 1402 B15R1.500 CC(CNC(F)C(=O)N)c1ccccc1 2230a_100000701038_100009813875 [0,1,0,0,0,1|2,0,0]=4 1403 B15R1.500 CC(CNC(F)C(=O)N)c1ccccc1 34a_100000701038_100009813875 [0,1,0,0,0,1|2,0,0]=4 1404 B15R1.500 CC(CN[C@H](C)C(=O)N)c1ccccc1 2230a_100000119354_100000756946 [0,1,0,0,0,1|2,0,0]=4 1405 B15R1.500 CC(CN[C@H](C)C(=O)N)c1ccccc1 270004a_100000119354_100000212034 [0,1,0,0,0,1|2,0,0]=4 1406 B15R1.500 CC(CN[C@H](C)C(=O)N)c1ccccc1 34a_100000119354_100000756946 [0,1,0,0,0,1|2,0,0]=4 1407 B15R1.500 CC(COC(F)C(=O)N)c1ccccc1 34a_100011215166_100009813875 [0,1,0,0,0,1|1,0,0]=3 1408 B15R1.500 CC(COC(F)C(=O)N)c1ccccc1 7a_100011215166_100009813875 [0,1,0,0,0,1|1,0,0]=3 1409 B15R1.500 CC(COC(F)C(=O)[O-])c1ccccc1 34a_100011215166_100020610796 [0,1,0,0,0,1|2,0,0]=4 1410 B15R1.500 CC(CO[C@@H](C)C(=O)[O-])c1ccccc1 7a_217856618621_100000756946 [0,1,0,0,0,1|2,0,0]=4 1411 B15R1.500 CC(CO[C@H](C)C(=O)N)c1ccccc1 34a_100000731257_100000756946 [0,1,0,0,0,1|1,0,0]=3 1412 B15R1.500 CC(CO[C@H](C)C(=O)N)c1ccccc1 7a_100000731257_100000756946 [0,1,0,0,0,1|1,0,0]=3 1413 B15R1.500 CC(CSC(F)C(=O)N)c1ccccc1 62a_100000756946_100009813875 [0,1,0,0,0,1|1,1,0]=4 1414 B15R1.500 CC(CSC(F)C(=O)N)c1ccccc1 62a_100009813875_100000756946 [0,1,0,0,0,1|1,1,0]=4 1415 B15R1.500 CC(NCC(C)c1ccccc1)C(=O)N 2230a_100000701038_100000702099 [0,1,0,0,0,1|2,0,0]=4 1416 B15R1.500 CC(NCC(C)c1ccccc1)C(=O)N 34a_100000701038_100000702099 [0,1,0,0,0,1|2,0,0]=4 1417 B15R1.500 CC(NCC(O)c1ccccc1)C(=O)N 2230a_100000210709_100000702099 [0,1,0,0,0,1|1,0,0]=3 1418 B15R1.500 CC(NCC(O)c1ccccn1)C(=O)N 2230a_100000691469_100000702099 [0,1,0,0,0,1|2,0,0]=4 1419 B15R1.500 CC(NCC(O)c1cccnc1)C(=O)N 2230a_100020605170_100000702099 [0,1,0,0,0,1|2,0,0]=4 1420 B15R1.500 CC(OCC(C)c1ccccc1)C(=O)N 34a_100011215166_100000702099 [0,1,0,0,0,1|1,0,0]=3 1421 B15R1.500 CC(OCC(C)c1ccccc1)C(=O)N 7a_100011215166_100000702099 [0,1,0,0,0,1|1,0,0]=3 1422 B15R1.500 CC(OC[C@@H](N)c1ccccc1)C(=O)N 34a_100000751927_100000702099 [0,1,0,0,0,1|1,0,0]=3 1423 B15R1.500 CC(OC[C@@H](N)c1ccncc1)C(=O)N 34a_100138412524_100000702099 [0,1,0,0,0,1|2,0,0]=4 1424 B15R1.500 CC(OC[C@H](N)C(=O)N)c1ccccc1 34a_100000729942_100000211855 [0,1,0,0,0,1|2,0,0]=4 1425 B15R1.500 CC(SCC(C)c1ccccc1)C(=O)N 62a_100000702099_100000756946 [0,1,0,0,0,1|1,1,0]=4 1426 B15R1.500 CC(SCC(C)c1ccccc1)C(=O)N 62a_100000756946_100000702099 [0,1,0,0,0,1|1,1,0]=4 1427 B15R1.500 CC(SCC(O)c1ccccc1)C(=O)N 62a_100000185958_100000702099 [0,1,0,0,0,1|0,1,0]=3 1428 B15R1.500 CC(SCC(O)c1ccccc1)C(=O)N 62a_100000702099_100000185958 [0,1,0,0,0,1|0,1,0]=3 1429 B15R1.500 CC(SC[C@@H](O)c1ccccc1)C(=O)N 62a_100000702099_100011933945 [0,1,0,0,0,1|0,1,0]=3 1430 B15R1.500 CC(SC[C@@H](O)c1ccccc1)C(=O)N 62a_100011933945_100000702099 [0,1,0,0,0,1|0,1,0]=3 1431 B15R1.500 C[C@@H](NCC(O)c1ccccc1)C(=O)N 2230a_100000119354_100000185958 [0,1,0,0,0,1|1,0,0]=3 1432 B15R1.500 C[C@@H](NCC(O)c1ccccc1)C(=O)N 34a_100000119354_100000185958 [0,1,0,0,0,1|1,0,0]=3 1433 B15R1.500 C[C@@H](NC[C@@H](O)c1ccccc1)C(=O)N 2230a_100000119354_100011933945 [0,1,0,0,0,1|1,0,0]=3 1434 B15R1.500 C[C@@H](NC[C@@H](O)c1ccccc1)C(=O)N 34a_100000119354_100011933945 [0,1,0,0,0,1|1,0,0]=3 1435 B15R1.500 C[C@@H](OCC(=O)c1ccccc1)C(=O)N 7a_100000731257_100000211460 [0,1,0,0,0,1|0,0,2]=4 1436 B15R1.500 C[C@@H](OCC(O)c1ccccc1)C(=O)N 34a_100000731257_100000185958 [0,1,0,0,0,1|0,0,0]=2 1437 B15R1.500 C[C@@H](OCC(O)c1ccccc1)C(=O)N 7a_100000731257_100000185958 [0,1,0,0,0,1|0,0,0]=2 1438 B15R1.500 C[C@@H](OC[C@@H](O)c1ccccc1)C(=O)N 34a_100000731257_100011933945 [0,1,0,0,0,1|0,0,0]=2 1439 B15R1.500 C[C@@H](OC[C@@H](O)c1ccccc1)C(=O)N 7a_100000731257_100011933945 [0,1,0,0,0,1|0,0,0]=2 1440 B15R1.500 C[C@H](NCC(O)c1ccccc1)C(=O)O 269956a_100000743915_100000185958 [0,1,0,0,0,1|2,0,0]=4 1441 B15R1.500 C[C@H](NC[C@@H](O)c1ccccc1)C(=O)O 269956a_100000743915_100011933945 [0,1,0,0,0,1|2,0,0]=4 1442 B15R1.500 C[C@H](OCC(O)c1ccccc1)C(=O)[O-] 7a_217856618621_100000185958 [0,1,0,0,0,1|1,0,0]=3 1443 B15R1.500 C[C@H](OC[C@@H](O)c1ccccc1)C(=O)[O-] 7a_217856618621_100011933945 [0,1,0,0,0,1|1,0,0]=3 1444 B15R1.500 NC(=O)C(=O)NCC(O)c1ccccc1 240690a_100000210709_100011215815 [0,1,0,0,0,1|1,0,0]=3 1445 B15R1.500 NC(=O)C(=O)NCC(O)c1ccccn1 240690a_100000691469_100011215815 [0,1,0,0,0,1|2,0,0]=4 1446 B15R1.500 NC(=O)C(=O)NCC(O)c1cccnc1 240690a_100020605170_100011215815 [0,1,0,0,0,1|2,0,0]=4 1447 B15R1.500 NC(=O)C(F)NCC(O)c1ccccc1 2230a_100000210709_100009813875 [0,1,0,0,0,1|1,0,0]=3 1448 B15R1.500 NC(=O)C(F)NCC(O)c1ccccn1 2230a_100000691469_100009813875 [0,1,0,0,0,1|2,0,0]=4 1449 B15R1.500 NC(=O)C(F)NCC(O)c1cccnc1 2230a_100020605170_100009813875 [0,1,0,0,0,1|2,0,0]=4 1450 B15R1.500 NC(=O)C(F)OC[C@@H](N)c1ccccc1 34a_100000751927_100009813875 [0,1,0,0,0,1|1,0,0]=3 1451 B15R1.500 NC(=O)C(F)OC[C@@H](N)c1ccncc1 34a_100138412524_100009813875 [0,1,0,0,0,1|2,0,0]=4 1452 B15R1.500 NC(=O)C(F)SCC(O)c1ccccc1 62a_100000185958_100009813875 [0,1,0,0,0,1|0,1,0]=3 1453 B15R1.500 NC(=O)C(F)SCC(O)c1ccccc1 62a_100009813875_100000185958 [0,1,0,0,0,1|0,1,0]=3 1454 B15R1.500 NC(=O)C(F)SC[C@@H](O)c1ccccc1 62a_100009813875_100011933945 [0,1,0,0,0,1|0,1,0]=3 1455 B15R1.500 NC(=O)C(F)SC[C@@H](O)c1ccccc1 62a_100011933945_100009813875 [0,1,0,0,0,1|0,1,0]=3 1456 B15R1.500 N[C@H](COC(F)C(=O)[O-])c1ccccc1 34a_100000751927_100020610796 [0,1,0,0,0,1|2,0,0]=4 1457 B15R1.500 O=C([O-])C(F)SCC(O)c1ccccc1 62a_100000185958_100020610796 [0,1,0,0,0,1|1,1,0]=4 1458 B15R1.500 O=C([O-])C(F)SCC(O)c1ccccc1 62a_100020610796_100000185958 [0,1,0,0,0,1|1,1,0]=4 1459 B15R1.500 O=C([O-])C(F)SC[C@@H](O)c1ccccc1 62a_100011933945_100020610796 [0,1,0,0,0,1|1,1,0]=4 1460 B15R1.500 O=C([O-])C(F)SC[C@@H](O)c1ccccc1 62a_100020610796_100011933945 [0,1,0,0,0,1|1,1,0]=4 1461 B15R1.882 C=C(C)COCC(O)c1ccc(cc1)Cl 34a_100000210245_200011996143 [0,1,0,0,0,1|2,0,0]=4 1462 B15R1.882 C=C(C)COC[C@H](O)c1ccc(cc1)F 34a_100000210245_100000720402 [0,1,0,0,0,1|2,0,0]=4 1463 B15R1.882 C=C(F)COCC(O)c1ccc(cc1)Cl 34a_200010262243_200011996143 [0,1,0,0,0,1|2,0,0]=4 1464 B15R1.882 C=C(F)COC[C@H](O)c1ccc(cc1)F 34a_200010262243_100000720402 [0,1,0,0,0,1|2,0,0]=4 1465 B15R1.882 CC(=O)COCC(O)c1ccc(cc1)Cl 34a_100000211253_200011996143 [0,1,0,0,0,1|1,0,0]=3 1466 B15R1.882 CC(=O)COC[C@H](O)c1ccc(cc1)F 34a_100000211253_100000720402 [0,1,0,0,0,1|1,0,0]=3 1467 B15R1.882 CC(=O)OCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100009813279 [0,1,0,0,0,1|2,0,0]=4 1468 B15R1.882 CC(=O)OCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100009813279 [0,1,0,0,0,1|2,0,0]=4 1469 B15R1.882 CC(=O)OCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100009813279 [0,1,0,0,0,1|2,0,0]=4 1470 B15R1.882 CC(=O)OCOC(C)c1ccc(cc1)Br 34a_100000745893_100009813279 [0,1,0,0,0,1|2,0,0]=4 1471 B15R1.882 CC(=O)OCOC(C)c1ccc(cc1)F 34a_100000181323_100009813279 [0,1,0,0,0,1|2,0,0]=4 1472 B15R1.882 CC(=O)OCOC(C)c1ccc(cc1)N 34a_100011216399_100009813279 [0,1,0,0,0,1|2,0,0]=4 1473 B15R1.882 CC(=O)OCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100009813279 [0,1,0,0,0,1|2,0,0]=4 1474 B15R1.882 CC(=O)OCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100009813279 [0,1,0,0,0,1|2,0,0]=4 1475 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)Br 62a_100000076356_100000755118 [0,1,0,0,0,1|2,0,0]=4 1476 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)Br 62a_100000755118_100000076356 [0,1,0,0,0,1|2,0,0]=4 1477 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)C 62a_100000076356_100011261388 [0,1,0,0,0,1|2,0,0]=4 1478 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)C 62a_100011261388_100000076356 [0,1,0,0,0,1|2,0,0]=4 1479 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)Cl 62a_100000076356_100000684792 [0,1,0,0,0,1|2,0,0]=4 1480 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000076356 [0,1,0,0,0,1|2,0,0]=4 1481 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)F 62a_100000076356_100000743420 [0,1,0,0,0,1|2,0,0]=4 1482 B15R1.882 CC(=O)OCSC(C)c1ccc(cc1)F 62a_100000743420_100000076356 [0,1,0,0,0,1|2,0,0]=4 1483 B15R1.882 CC(CNCC(=O)N)c1ccc(cc1)O 34a_200015188644_100000187820 [0,1,0,0,0,1|2,0,0]=4 1484 B15R1.882 CC(NCCC(=O)N)c1ccc(cc1)Br 269862a_100000740010_100000185794 [0,1,0,0,0,1|2,0,0]=4 1485 B15R1.882 CC(NCCC(=O)N)c1ccc(cc1)Cl 269862a_100000740010_100000185797 [0,1,0,0,0,1|2,0,0]=4 1486 B15R1.882 CC(NCCC(=O)N)c1ccc(cc1)F 269862a_100000740010_100000185800 [0,1,0,0,0,1|2,0,0]=4 1487 B15R1.882 CC(NCCC(=O)N)c1ccc(cc1)I 269862a_100000740010_100000185465 [0,1,0,0,0,1|2,0,0]=4 1488 B15R1.882 CC(OCCC(=O)N)c1ccc(cc1)Br 34a_100000745893_100000731001 [0,1,0,0,0,1|2,0,0]=4 1489 B15R1.882 CC(OCCC(=O)N)c1ccc(cc1)Br 34a_100000757172_100000755118 [0,1,0,0,0,1|2,0,0]=4 1490 B15R1.882 CC(OCCC(=O)N)c1ccc(cc1)Br 7a_100000745893_100000744528 [0,1,0,0,0,1|2,0,0]=4 1491 B15R1.882 CC(OCCC(=O)N)c1ccc(cc1)Cl 7a_100000757172_100000684792 [0,1,0,0,0,1|2,0,0]=4 1492 B15R1.882 CC(OCCC(=O)N)c1ccc(cc1)F 34a_100000181323_100000731001 [0,1,0,0,0,1|2,0,0]=4 1493 B15R1.882 CC(OCCC(=O)N)c1ccc(cc1)F 34a_100000757172_100000743420 [0,1,0,0,0,1|2,0,0]=4 1494 B15R1.882 CC(OCCC(=O)N)c1ccc(cc1)F 7a_100000181323_100000744528 [0,1,0,0,0,1|2,0,0]=4 1495 B15R1.882 CC(OCCC(=O)N)c1ccc(cc1)F 7a_100000757172_100000743420 [0,1,0,0,0,1|2,0,0]=4 1496 B15R1.882 CC(OCCC(=O)N)c1ccc(cc1)N 34a_100011216399_100000731001 [0,1,0,0,0,1|2,0,0]=4 1497 B15R1.882 CC(SCCC(=O)N)c1ccc(cc1)Br 62a_100000744528_100000755118 [0,1,0,0,0,1|2,0,0]=4 1498 B15R1.882 CC(SCCC(=O)N)c1ccc(cc1)Br 62a_100000755118_100000744528 [0,1,0,0,0,1|2,0,0]=4 1499 B15R1.882 CC(SCCC(=O)N)c1ccc(cc1)Cl 62a_100000684792_100000744528 [0,1,0,0,0,1|2,0,0]=4 1500 B15R1.882 CC(SCCC(=O)N)c1ccc(cc1)Cl 62a_100000744528_100000684792 [0,1,0,0,0,1|2,0,0]=4 1501 B15R1.882 CC(SCCC(=O)N)c1ccc(cc1)F 62a_100000743420_100000744528 [0,1,0,0,0,1|2,0,0]=4 1502 B15R1.882 CC(SCCC(=O)N)c1ccc(cc1)F 62a_100000744528_100000743420 [0,1,0,0,0,1|2,0,0]=4 1503 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)Br 269982a_100000219623_200011214921 [0,1,0,0,0,1|2,0,0]=4 1504 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)Br 34a_100000219623_200011214921 [0,1,0,0,0,1|2,0,0]=4 1505 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_200011214921 [0,1,0,0,0,1|2,0,0]=4 1506 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)Cl 34a_100020629279_200011214921 [0,1,0,0,0,1|2,0,0]=4 1507 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)F 269982a_100000219829_200011214921 [0,1,0,0,0,1|2,0,0]=4 1508 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)F 34a_100000219829_200011214921 [0,1,0,0,0,1|2,0,0]=4 1509 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)I 269982a_100000743151_200011214921 [0,1,0,0,0,1|2,0,0]=4 1510 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)I 34a_100000743151_200011214921 [0,1,0,0,0,1|2,0,0]=4 1511 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)O 269982a_100000182112_200011214921 [0,1,0,0,0,1|2,0,0]=4 1512 B15R1.882 CN(CCOC(=O)N)c1ccc(cc1)O 34a_100000182112_200011214921 [0,1,0,0,0,1|2,0,0]=4 1513 B15R1.882 C[C@@H](N)COCC(O)c1ccc(cc1)Cl 34a_100000737577_200011996143 [0,1,0,0,0,1|1,0,1]=4 1514 B15R1.882 C[C@@H](N)COC[C@H](O)c1ccc(cc1)F 34a_100000737577_100000720402 [0,1,0,0,0,1|1,0,1]=4 1515 B15R1.882 C[C@@H](NCCC(=O)N)c1ccc(cc1)Br 2230a_100000720352_100000744528 [0,1,0,0,0,1|2,0,0]=4 1516 B15R1.882 C[C@@H](NCCC(=O)N)c1ccc(cc1)Cl 2230a_100015205461_100000744528 [0,1,0,0,0,1|2,0,0]=4 1517 B15R1.882 C[C@@H](NCCC(=O)N)c1ccc(cc1)Cl 34a_100015205461_100000731001 [0,1,0,0,0,1|2,0,0]=4 1518 B15R1.882 C[C@H](NCCC(=O)N)c1ccc(cc1)F 2230a_100025705893_100000744528 [0,1,0,0,0,1|2,0,0]=4 1519 B15R1.882 C[C@H](NCCC(=O)N)c1ccc(cc1)F 34a_100025705893_100000731001 [0,1,0,0,0,1|2,0,0]=4 1520 B15R1.882 C[C@H](NCCC(=O)N)c1ccc(cc1)I 2230a_100000753911_100000744528 [0,1,0,0,0,1|2,0,0]=4 1521 B15R1.882 C[C@H](NCCC(=O)N)c1ccc(cc1)O 2230a_100161106496_100000744528 [0,1,0,0,0,1|2,0,0]=4 1522 B15R1.882 C[C@H](OCCC(=O)N)c1ccc(cc1)Cl 34a_100011852131_100000731001 [0,1,0,0,0,1|2,0,0]=4 1523 B15R1.882 C[C@H](OCCC(=O)N)c1ccc(cc1)Cl 7a_100011852131_100000744528 [0,1,0,0,0,1|2,0,0]=4 1524 B15R1.882 Cc1ccc(cc1)C(=O)CCOC(=O)N 1458a_100000188618_200011214921 [0,1,0,0,0,1|0,0,2]=4 1525 B15R1.882 Cc1ccc(cc1)C(C)NCCC(=O)N 269862a_100000740010_100000185793 [0,1,0,0,0,1|2,0,0]=4 1526 B15R1.882 Cc1ccc(cc1)C(C)OCCC(=O)N 34a_100000757172_100011261388 [0,1,0,0,0,1|2,0,0]=4 1527 B15R1.882 Cc1ccc(cc1)C(C)OCCC(=O)N 7a_100000757172_100011261388 [0,1,0,0,0,1|2,0,0]=4 1528 B15R1.882 Cc1ccc(cc1)C(C)SCCC(=O)N 62a_100000744528_100011261388 [0,1,0,0,0,1|2,0,0]=4 1529 B15R1.882 Cc1ccc(cc1)C(C)SCCC(=O)N 62a_100011261388_100000744528 [0,1,0,0,0,1|2,0,0]=4 1530 B15R1.882 Cc1ccc(cc1)C(O)CNCC(=O)N 2230a_200020610344_100000747473 [0,1,0,0,0,1|1,0,0]=3 1531 B15R1.882 Cc1ccc(cc1)C(O)CNCC(=O)N 34a_200020610344_100000187820 [0,1,0,0,0,1|1,0,0]=3 1532 B15R1.882 Cc1ccc(cc1)C(O)CNCC(=O)[O-] 34a_200020610344_100020667443 [0,1,0,0,0,1|2,0,0]=4 1533 B15R1.882 Cc1ccc(cc1)N(C)CCOC(=O)N 269982a_100000219977_200011214921 [0,1,0,0,0,1|2,0,0]=4 1534 B15R1.882 Cc1ccc(cc1)N(C)CCOC(=O)N 34a_100000219977_200011214921 [0,1,0,0,0,1|2,0,0]=4 1535 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(=O)N 2230a_100016988085_100000744528 [0,1,0,0,0,1|2,0,0]=4 1536 B15R1.882 Cc1ccc(cc1)[C@@H](C)NCCC(=O)N 34a_100016988085_100000731001 [0,1,0,0,0,1|2,0,0]=4 1537 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCC(=O)N 34a_100000690690_100000731001 [0,1,0,0,0,1|2,0,0]=4 1538 B15R1.882 Cc1ccc(cc1)[C@@H](C)OCCC(=O)N 7a_100000690690_100000744528 [0,1,0,0,0,1|2,0,0]=4 1539 B15R1.882 Cc1ccc(cc1)[C@@H](N)COCC(=O)N 34a_100009818840_100000187820 [0,1,0,0,0,1|1,0,0]=3 1540 B15R1.882 Cc1ccc(cc1)[C@@H](N)COCC(=O)[O-] 34a_100009818840_100020667443 [0,1,0,0,0,1|2,0,0]=4 1541 B15R1.882 NC(=O)CNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000747473 [0,1,0,0,0,1|1,0,0]=3 1542 B15R1.882 NC(=O)CNCC(O)c1ccc(cc1)Br 34a_100020626992_100000187820 [0,1,0,0,0,1|1,0,0]=3 1543 B15R1.882 NC(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100000711301_200011996143 [0,1,0,0,0,1|1,0,0]=3 1544 B15R1.882 NC(=O)CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000747473 [0,1,0,0,0,1|1,0,0]=3 1545 B15R1.882 NC(=O)CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000187820 [0,1,0,0,0,1|1,0,0]=3 1546 B15R1.882 NC(=O)CNCC(O)c1ccc(cc1)O 34a_100000067596_100000187820 [0,1,0,0,0,1|1,0,0]=3 1547 B15R1.882 NC(=O)CNC[C@H](O)c1ccc(cc1)F 2230a_100000711301_100000720402 [0,1,0,0,0,1|1,0,0]=3 1548 B15R1.882 NC(=O)COCC(=O)c1ccc(cc1)F 34a_100000246311_100000187820 [0,1,0,0,0,1|0,0,2]=4 1549 B15R1.882 NC(=O)COCC(N)c1ccc(cc1)Br 34a_100000734186_100000187820 [0,1,0,0,0,1|1,0,0]=3 1550 B15R1.882 NC(=O)COCC(N)c1ccc(cc1)F 34a_100000705410_100000187820 [0,1,0,0,0,1|1,0,0]=3 1551 B15R1.882 NC(=O)COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000187820 [0,1,0,0,0,1|1,0,0]=3 1552 B15R1.882 NC(=O)CSCC(O)c1ccc(cc1)Cl 62a_100000747473_200011996143 [0,1,0,0,0,1|0,1,0]=3 1553 B15R1.882 NC(=O)CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000747473 [0,1,0,0,0,1|0,1,0]=3 1554 B15R1.882 NC(=O)CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000747473 [0,1,0,0,0,1|0,1,0]=3 1555 B15R1.882 NC(=O)CSC[C@H](O)c1ccc(cc1)F 62a_100000747473_100000720402 [0,1,0,0,0,1|0,1,0]=3 1556 B15R1.882 NC(=O)OCCC(=O)c1ccc(cc1)Br 1458a_100000185839_200011214921 [0,1,0,0,0,1|0,0,2]=4 1557 B15R1.882 NC(=O)OCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_200011214921 [0,1,0,0,0,1|0,0,2]=4 1558 B15R1.882 NC(=O)OCCC(=O)c1ccc(cc1)F 1458a_100000187176_200011214921 [0,1,0,0,0,1|0,0,2]=4 1559 B15R1.882 NC(=O)OCCC(=O)c1ccc(cc1)I 1458a_100000187904_200011214921 [0,1,0,0,0,1|0,0,2]=4 1560 B15R1.882 NC(=O)OCCC(=O)c1ccc(cc1)O 1458a_100000212099_200011214921 [0,1,0,0,0,1|0,0,2]=4 1561 B15R1.882 NC(COCC(=O)[O-])c1ccc(cc1)Br 34a_100000734186_100020667443 [0,1,0,0,0,1|2,0,0]=4 1562 B15R1.882 NC(COCC(=O)[O-])c1ccc(cc1)F 34a_100000705410_100020667443 [0,1,0,0,0,1|2,0,0]=4 1563 B15R1.882 N[C@H](COCC(=O)[O-])c1ccc(cc1)Cl 34a_100009818818_100020667443 [0,1,0,0,0,1|2,0,0]=4 1564 B15R1.882 O=C(O)CNCC(O)c1ccc(cc1)Cl 269956a_100016091260_200011996143 [0,1,0,0,0,1|2,0,0]=4 1565 B15R1.882 O=C(O)CNC[C@H](O)c1ccc(cc1)F 269956a_100016091260_100000720402 [0,1,0,0,0,1|2,0,0]=4 1566 B15R1.882 O=C([O-])CNCC(O)c1ccc(cc1)Br 34a_100020626992_100020667443 [0,1,0,0,0,1|2,0,0]=4 1567 B15R1.882 O=C([O-])CNCC(O)c1ccc(cc1)Cl 34a_100000736658_100020667443 [0,1,0,0,0,1|2,0,0]=4 1568 B15R1.882 O=C([O-])CNCC(O)c1ccc(cc1)O 34a_100000067596_100020667443 [0,1,0,0,0,1|2,0,0]=4 1569 B15R1.882 O=C([O-])CSCC(O)c1ccc(cc1)Cl 62a_100020667443_200011996143 [0,1,0,0,0,1|1,1,0]=4 1570 B15R1.882 O=C([O-])CSCC(O)c1ccc(cc1)Cl 62a_200011996143_100020667443 [0,1,0,0,0,1|1,1,0]=4 1571 B15R1.882 O=C([O-])CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100020667443 [0,1,0,0,0,1|1,1,0]=4 1572 B15R1.882 O=C([O-])CSC[C@H](O)c1ccc(cc1)F 62a_100020667443_100000720402 [0,1,0,0,0,1|1,1,0]=4 1573 B15R1.882 [2H]C(OCCC(=O)N)c1ccc(cc1)F 34a_217856618577_100000731001 [0,1,0,0,0,1|2,0,0]=4 1574 B15R1.882 [2H]C(OCCC(=O)N)c1ccc(cc1)F 7a_217856618577_100000744528 [0,1,0,0,0,1|2,0,0]=4 1575 B15R1.882 [2H]C(OCOC(=O)C)c1ccc(cc1)F 34a_217856618577_100009813279 [0,1,0,0,0,1|2,0,0]=4 1576 B15R1.959 C=CC(=O)NCCC(O)c1ccccc1 240690a_100000763605_200121576911 [0,1,0,0,0,1|2,0,0]=4 1577 B15R1.959 C=C[C@H](N)COCC(O)c1ccccc1 34a_100016989147_100000185958 [0,1,0,0,0,1|1,0,1]=4 1578 B15R1.959 C=C[C@H](N)COC[C@@H](O)c1ccccc1 34a_100016989147_100011933945 [0,1,0,0,0,1|1,0,1]=4 1579 B15R1.959 CC(CN)COCC(O)c1ccccc1 34a_100000744482_100000185958 [0,1,0,0,0,1|1,0,1]=4 1580 B15R1.959 CC(CN)COC[C@@H](O)c1ccccc1 34a_100000744482_100011933945 [0,1,0,0,0,1|1,0,1]=4 1581 B15R1.959 CC(CN)OCC[C@@H](O)c1ccccc1 34a_100000210904_100000729684 [0,1,0,0,0,1|1,0,1]=4 1582 B15R1.959 CCC(=O)COCC(C)c1ccccc1 34a_100000725409_100000756946 [0,1,0,0,0,1|2,0,0]=4 1583 B15R1.959 CCC(=O)COCC(C)c1ccccc1 7a_100011215166_100000747405 [0,1,0,0,0,1|2,0,0]=4 1584 B15R1.959 CCC(=O)COCC(O)c1ccccc1 34a_100000725409_100000185958 [0,1,0,0,0,1|1,0,0]=3 1585 B15R1.959 CCC(=O)COC[C@@H](O)c1ccccc1 34a_100000725409_100011933945 [0,1,0,0,0,1|1,0,0]=3 1586 B15R1.959 CCC(=O)CSCC(O)c1ccccc1 62a_100000185958_100000747405 [0,1,0,0,0,1|1,1,0]=4 1587 B15R1.959 CCC(=O)CSCC(O)c1ccccc1 62a_100000747405_100000185958 [0,1,0,0,0,1|1,1,0]=4 1588 B15R1.959 CCC(=O)CSC[C@@H](O)c1ccccc1 62a_100000747405_100011933945 [0,1,0,0,0,1|1,1,0]=4 1589 B15R1.959 CCC(=O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000747405 [0,1,0,0,0,1|1,1,0]=4 1590 B15R1.959 CCC(=O)NCCC(O)c1ccccc1 240690a_100000763605_100000210414 [0,1,0,0,0,1|2,0,0]=4 1591 B15R1.959 CCC(=O)NCCC(O)c1ccccc1 527a_100000763605_100000210414 [0,1,0,0,0,1|2,0,0]=4 1592 B15R1.959 CNC(=O)CCNC(C)c1ccccc1 2230a_100000738227_100000230085 [0,1,0,0,0,1|2,0,0]=4 1593 B15R1.959 CNC(=O)CCNC(C)c1ccccc1 269862a_100000738227_100000185851 [0,1,0,0,0,1|2,0,0]=4 1594 B15R1.959 CNC(=O)CCNC(C)c1ccccc1 34a_100000738227_100000211855 [0,1,0,0,0,1|2,0,0]=4 1595 B15R1.959 CNC(=O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000737683 [0,1,0,0,0,1|2,0,0]=4 1596 B15R1.959 CNC(=O)CCOC(C)c1ccccc1 34a_100000754576_100000211855 [0,1,0,0,0,1|2,0,0]=4 1597 B15R1.959 CNC(=O)CCO[C@H](C)c1ccccc1 34a_100000761318_100012179268 [0,1,0,0,0,1|2,0,0]=4 1598 B15R1.959 CNC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000737683 [0,1,0,0,0,1|2,0,0]=4 1599 B15R1.959 CNC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000737683 [0,1,0,0,0,1|2,0,0]=4 1600 B15R1.959 CNC(=O)CCSC(C)c1ccccc1 62a_100000737683_100000230085 [0,1,0,0,0,1|2,0,0]=4 1601 B15R1.959 CNC(=O)CNCC(C)c1ccccc1 2230a_100000693194_100000756946 [0,1,0,0,0,1|2,0,0]=4 1602 B15R1.959 CNC(=O)CNCC(C)c1ccccc1 2230a_100000701038_100000183359 [0,1,0,0,0,1|2,0,0]=4 1603 B15R1.959 CNC(=O)CNCC(C)c1ccccc1 270004a_100000693194_100000212034 [0,1,0,0,0,1|2,0,0]=4 1604 B15R1.959 CNC(=O)CNCC(C)c1ccccc1 34a_100000701038_100000183359 [0,1,0,0,0,1|2,0,0]=4 1605 B15R1.959 CNC(=O)CNCC(O)c1ccccc1 2230a_100000210709_100000183359 [0,1,0,0,0,1|1,0,0]=3 1606 B15R1.959 CNC(=O)CNCC(O)c1ccccc1 2230a_100000693194_100000185958 [0,1,0,0,0,1|1,0,0]=3 1607 B15R1.959 CNC(=O)CNCC(O)c1ccccn1 2230a_100000691469_100000183359 [0,1,0,0,0,1|2,0,0]=4 1608 B15R1.959 CNC(=O)CNCC(O)c1cccnc1 2230a_100020605170_100000183359 [0,1,0,0,0,1|2,0,0]=4 1609 B15R1.959 CNC(=O)CNC[C@@H](O)c1ccccc1 2230a_100000693194_100011933945 [0,1,0,0,0,1|1,0,0]=3 1610 B15R1.959 CNC(=O)COCC(C)c1ccccc1 34a_100000750040_100000756946 [0,1,0,0,0,1|1,0,0]=3 1611 B15R1.959 CNC(=O)COCC(C)c1ccccc1 34a_100011215166_100000183359 [0,1,0,0,0,1|1,0,0]=3 1612 B15R1.959 CNC(=O)COCC(C)c1ccccc1 7a_100011215166_100000183359 [0,1,0,0,0,1|1,0,0]=3 1613 B15R1.959 CNC(=O)COCC(O)c1ccccc1 34a_100000750040_100000185958 [0,1,0,0,0,1|0,0,0]=2 1614 B15R1.959 CNC(=O)COC[C@@H](N)c1ccccc1 34a_100000751927_100000183359 [0,1,0,0,0,1|1,0,0]=3 1615 B15R1.959 CNC(=O)COC[C@@H](N)c1ccncc1 34a_100138412524_100000183359 [0,1,0,0,0,1|2,0,0]=4 1616 B15R1.959 CNC(=O)COC[C@@H](O)c1ccccc1 34a_100000750040_100011933945 [0,1,0,0,0,1|0,0,0]=2 1617 B15R1.959 CNC(=O)CSCC(C)c1ccccc1 62a_100000183359_100000756946 [0,1,0,0,0,1|1,1,0]=4 1618 B15R1.959 CNC(=O)CSCC(C)c1ccccc1 62a_100000756946_100000183359 [0,1,0,0,0,1|1,1,0]=4 1619 B15R1.959 CNC(=O)CSCC(O)c1ccccc1 62a_100000183359_100000185958 [0,1,0,0,0,1|0,1,0]=3 1620 B15R1.959 CNC(=O)CSCC(O)c1ccccc1 62a_100000185958_100000183359 [0,1,0,0,0,1|0,1,0]=3 1621 B15R1.959 CNC(=O)CSC[C@@H](O)c1ccccc1 62a_100000183359_100011933945 [0,1,0,0,0,1|0,1,0]=3 1622 B15R1.959 CNC(=O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000183359 [0,1,0,0,0,1|0,1,0]=3 1623 B15R1.959 CNC(=O)NCCC(O)c1ccccc1 2708a_100102657272_100000763605 [0,1,0,0,0,1|1,0,0]=3 1624 B15R1.959 CNC(=O)NCCC(O)c1ccccc1 273464a_100000763605_100102657272 [0,1,0,0,0,1|1,0,0]=3 1625 B15R1.959 CNC(=O)NCCC(O)c1ccccc1 273464a_100102657272_100000763605 [0,1,0,0,0,1|1,0,0]=3 1626 B15R1.959 CNC(=O)NCCC(O)c1ccccc1 512a_106832991638_100000763605 [0,1,0,0,0,1|1,0,0]=3 1627 B15R1.959 CNC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_200011997002 [0,1,0,0,0,1|0,0,2]=4 1628 B15R1.959 CNC(=O)OCCN(C)c1ccccc1 269982a_100000210012_200011997002 [0,1,0,0,0,1|2,0,0]=4 1629 B15R1.959 CNC(=O)OCCN(C)c1ccccc1 34a_100000210012_200011997002 [0,1,0,0,0,1|2,0,0]=4 1630 B15R1.959 COC(=O)CNCC(O)c1ccccc1 2230a_100000210709_100000747449 [0,1,0,0,0,1|2,0,0]=4 1631 B15R1.959 COC(=O)COCC(C)c1ccccc1 34a_100011215166_100000747449 [0,1,0,0,0,1|2,0,0]=4 1632 B15R1.959 COC(=O)COCC(C)c1ccccc1 7a_100011215166_100000747449 [0,1,0,0,0,1|2,0,0]=4 1633 B15R1.959 COC(=O)COC[C@@H](N)c1ccccc1 34a_100000751927_100000747449 [0,1,0,0,0,1|2,0,0]=4 1634 B15R1.959 COC(=O)CSCC(O)c1ccccc1 62a_100000185958_100000747449 [0,1,0,0,0,1|1,1,0]=4 1635 B15R1.959 COC(=O)CSCC(O)c1ccccc1 62a_100000747449_100000185958 [0,1,0,0,0,1|1,1,0]=4 1636 B15R1.959 COC(=O)CSC[C@@H](O)c1ccccc1 62a_100000747449_100011933945 [0,1,0,0,0,1|1,1,0]=4 1637 B15R1.959 COC(=O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000747449 [0,1,0,0,0,1|1,1,0]=4 1638 B15R1.959 COC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000139417 [0,1,0,0,0,1|2,0,0]=4 1639 B15R1.959 NC[C@@H](F)COCC(O)c1ccccc1 34a_100015665980_100000185958 [0,1,0,0,0,1|1,0,1]=4 1640 B15R1.959 NC[C@@H](F)COC[C@@H](O)c1ccccc1 34a_100015665980_100011933945 [0,1,0,0,0,1|1,0,1]=4 1641 B15R1.959 O=C(CO)NCCC(O)c1ccccc1 240690a_100000763605_100000210174 [0,1,0,0,0,1|2,0,0]=4 1642 B15R1.959 O=C(CO)NCCC(O)c1ccccc1 527a_100000763605_100000210174 [0,1,0,0,0,1|2,0,0]=4 1643 B15R1.1076 CC(=O)OC(C)SC(C)c1ccccc1 62a_100000230085_100009818208 [0,1,0,0,0,1|2,0,0]=4 1644 B15R1.1076 CC(=O)OC(C)SC(C)c1ccccc1 62a_100009818208_100000230085 [0,1,0,0,0,1|2,0,0]=4 1645 B15R1.1076 CC(CC(=O)CC(=O)N)c1ccccc1 1458a_100000183687_100000187820 [0,1,0,0,0,1|2,0,0]=4 1646 B15R1.1076 CC(CC(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000756946 [0,1,0,0,0,1|2,0,0]=4 1647 B15R1.1076 CC(CN(C)CC(=O)N)c1ccccc1 2230a_100000739694_100000756946 [0,1,0,0,0,1|2,0,0]=4 1648 B15R1.1076 CC(CN(C)CC(=O)N)c1ccccc1 270004a_100000739694_100000212034 [0,1,0,0,0,1|2,0,0]=4 1649 B15R1.1076 CN(CC(=O)N)CC(O)c1ccccc1 2230a_100000227976_100000747473 [0,1,0,0,0,1|1,0,0]=3 1650 B15R1.1076 CN(CC(=O)N)CC(O)c1ccccc1 2230a_100000739694_100000185958 [0,1,0,0,0,1|1,0,0]=3 1651 B15R1.1076 CN(CC(=O)N)CC(O)c1ccccc1 269982a_100000227976_100000187820 [0,1,0,0,0,1|1,0,0]=3 1652 B15R1.1076 CN(CC(=O)N)C[C@@H](O)c1ccccc1 2230a_100000739694_100011933945 [0,1,0,0,0,1|1,0,0]=3 1653 B15R1.1076 CN(CC(=O)O)CC(O)c1ccccc1 269956a_100000746989_100000185958 [0,1,0,0,0,1|2,0,0]=4 1654 B15R1.1076 CN(CC(=O)O)C[C@@H](O)c1ccccc1 269956a_100000746989_100011933945 [0,1,0,0,0,1|2,0,0]=4 1655 B15R1.1076 CN(CC(=O)[O-])CC(O)c1ccccc1 269982a_100000227976_100020667443 [0,1,0,0,0,1|2,0,0]=4 1656 B15R1.1076 NC(=O)CC(=O)CC(O)c1ccccc1 1458a_100000690199_100000187820 [0,1,0,0,0,1|1,0,0]=3 1657 B15R1.1076 NC(=O)CC(=O)CC(O)c1ccccc1 1458a_100134613110_100000185958 [0,1,0,0,0,1|1,0,0]=3 1658 B15R1.1076 NC(=O)CC(=O)C[C@@H](O)c1ccccc1 1458a_100134613110_100011933945 [0,1,0,0,0,1|1,0,0]=3 1659 B15R1.1076 O=C([O-])CC(=O)CC(O)c1ccccc1 1458a_100000690199_100020667443 [0,1,0,0,0,1|2,0,0]=4 1660 B15R1.1078 CC(=O)OCC(=O)C(C)c1ccccc1 1458a_100000183556_100000230085 [0,1,0,0,0,1|2,0,0]=4 1661 B15R1.1078 CC(=O)OCN(C)C(C)c1ccccc1 269982a_100000195388_100000076356 [0,1,0,0,0,1|2,0,0]=4 1662 B15R1.1078 CC(C(=O)CCC(=O)N)c1ccccc1 1458a_100011215257_100000230085 [0,1,0,0,0,1|2,0,0]=4 1663 B15R1.1078 CC(C(=O)CNC(=O)N)c1ccccc1 1458a_100000184981_100000230085 [0,1,0,0,0,1|2,0,0]=4 1664 B15R1.1078 CC(c1ccccc1)N(C)CCC(=O)N 2230a_100000195388_100000744528 [0,1,0,0,0,1|2,0,0]=4 1665 B15R1.1078 CC(c1ccccc1)N(C)CCC(=O)N 2230a_100000730477_100000230085 [0,1,0,0,0,1|2,0,0]=4 1666 B15R1.1078 CC(c1ccccc1)N(C)CCC(=O)N 269982a_100000195388_100000744528 [0,1,0,0,0,1|2,0,0]=4 1667 B15R1.1078 C[C@H](OCC(=O)N)[C@@H](N)c1ccccc1 34a_100134616770_100000187820 [0,1,0,0,0,1|1,0,0]=3 1668 B15R1.1078 C[C@H](OCC(=O)[O-])[C@@H](N)c1ccccc1 34a_100134616770_100020667443 [0,1,0,0,0,1|2,0,0]=4 1669 B15R1.1078 NC(=O)CNC(=O)[C@H](O)c1ccccc1 240690a_100000711301_100000684486 [0,1,0,0,0,1|1,0,1]=4 1670 B15R1.5331 C#CC(OCCC(=O)N)c1ccccc1 34a_100011219616_100000731001 [0,1,0,0,0,1|2,0,0]=4 1671 B15R1.5331 C#CC(OCCC(=O)N)c1ccccc1 7a_100011219616_100000744528 [0,1,0,0,0,1|2,0,0]=4 1672 B15R1.5331 C#CC(OCOC(=O)C)c1ccccc1 34a_100011219616_100009813279 [0,1,0,0,0,1|2,0,0]=4 1673 B15R1.5331 C=C(C)COCC(OC)c1ccccc1 34a_100011215540_100000748629 [0,1,0,0,0,1|2,0,0]=4 1674 B15R1.5331 C=C(C)COCC(OC)c1ccccc1 7a_100011215540_100000748629 [0,1,0,0,0,1|2,0,0]=4 1675 B15R1.5331 C=C(F)COCC(OC)c1ccccc1 34a_100011215540_100009893438 [0,1,0,0,0,1|2,0,0]=4 1676 B15R1.5331 C=C(F)COCC(OC)c1ccccc1 7a_100011215540_100000042424 [0,1,0,0,0,1|2,0,0]=4 1677 B15R1.5331 C=CC(OCCC(=O)N)c1ccccc1 34a_100011215659_100000731001 [0,1,0,0,0,1|2,0,0]=4 1678 B15R1.5331 C=CC(OCCC(=O)N)c1ccccc1 7a_100011215659_100000744528 [0,1,0,0,0,1|2,0,0]=4 1679 B15R1.5331 C=CC(OCOC(=O)C)c1ccccc1 34a_100011215659_100009813279 [0,1,0,0,0,1|2,0,0]=4 1680 B15R1.5331 C=CC(SCCC(=O)N)c1ccccc1 62a_100000744528_200000085779 [0,1,0,0,0,1|2,0,0]=4 1681 B15R1.5331 C=CC(SCCC(=O)N)c1ccccc1 62a_200000085779_100000744528 [0,1,0,0,0,1|2,0,0]=4 1682 B15R1.5331 C=CC(SCOC(=O)C)c1ccccc1 62a_100000076356_200000085779 [0,1,0,0,0,1|2,0,0]=4 1683 B15R1.5331 C=CC(SCOC(=O)C)c1ccccc1 62a_200000085779_100000076356 [0,1,0,0,0,1|2,0,0]=4 1684 B15R1.5331 CC(=O)OCN[C@H](CO)c1ccccc1 34a_100000751927_100009813279 [0,1,0,0,0,1|1,0,0]=3 1685 B15R1.5331 CC(=O)OCOC(CN)c1ccccc1 34a_100000210709_100009813279 [0,1,0,0,0,1|2,0,0]=4 1686 B15R1.5331 CC(=O)OCO[C@H](CCl)c1ccccc1 34a_100011933945_100009813279 [0,1,0,0,0,1|2,0,0]=4 1687 B15R1.5331 CCC(COCC(=O)N)c1ccccc1 34a_100000752371_100000187820 [0,1,0,0,0,1|1,0,0]=3 1688 B15R1.5331 CCC(COCC(=O)N)c1ccccc1 7a_100000752371_100000187820 [0,1,0,0,0,1|1,0,0]=3 1689 B15R1.5331 CCC(COCC(=O)[O-])c1ccccc1 34a_100000752371_100020667443 [0,1,0,0,0,1|2,0,0]=4 1690 B15R1.5331 CCC(NCCC(=O)N)c1ccccc1 2230a_100000737752_100000744528 [0,1,0,0,0,1|2,0,0]=4 1691 B15R1.5331 CCC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000210124 [0,1,0,0,0,1|2,0,0]=4 1692 B15R1.5331 CCC(OCCC(=O)N)c1ccccc1 34a_100000698172_100000731001 [0,1,0,0,0,1|2,0,0]=4 1693 B15R1.5331 CCC(OCCC(=O)N)c1ccccc1 7a_100000698172_100000744528 [0,1,0,0,0,1|2,0,0]=4 1694 B15R1.5331 CCC(OCOC(=O)C)c1ccccc1 34a_100000698172_100009813279 [0,1,0,0,0,1|2,0,0]=4 1695 B15R1.5331 CCN(CCOC(=O)N)c1ccccc1 269982a_100000210013_200011214921 [0,1,0,0,0,1|2,0,0]=4 1696 B15R1.5331 CCN(CCOC(=O)N)c1ccccc1 34a_100000210013_200011214921 [0,1,0,0,0,1|2,0,0]=4 1697 B15R1.5331 COC(COCC(=O)N)c1ccccc1 34a_100011215540_100000187820 [0,1,0,0,0,1|0,0,0]=2 1698 B15R1.5331 COC(COCC(=O)N)c1ccccc1 7a_100011215540_100000187820 [0,1,0,0,0,1|0,0,0]=2 1699 B15R1.5331 COC(COCC(=O)[O-])c1ccccc1 34a_100011215540_100020667443 [0,1,0,0,0,1|1,0,0]=3 1700 B15R1.5331 COC(COC[N+](=O)[O-])c1ccccc1 34a_100011215540_100000761209 [0,1,0,0,0,1|2,0,0]=4 1701 B15R1.5331 N#CC(OCCC(=O)N)c1ccccc1 7a_100011217353_100000744528 [0,1,0,0,0,1|2,0,0]=4 1702 B15R1.5331 NC(=O)CCNC(CO)c1ccccn1 2230a_100015196888_100000744528 [0,1,0,0,0,1|2,0,0]=4 1703 B15R1.5331 NC(=O)CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000744528 [0,1,0,0,0,1|1,0,0]=3 1704 B15R1.5331 NC(=O)CCN[C@H](CO)c1ccccc1 34a_100000751927_100000731001 [0,1,0,0,0,1|1,0,0]=3 1705 B15R1.5331 NC(=O)CCN[C@H](CO)c1ccncc1 2230a_100138412524_100000744528 [0,1,0,0,0,1|2,0,0]=4 1706 B15R1.5331 NC(=O)CCOC(CBr)c1ccccc1 7a_100000185958_100000744528 [0,1,0,0,0,1|2,0,0]=4 1707 B15R1.5331 NC(=O)CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000731001 [0,1,0,0,0,1|2,0,0]=4 1708 B15R1.5331 NC(=O)CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000744528 [0,1,0,0,0,1|2,0,0]=4 1709 B15R1.5331 NCC(OCCC(=O)N)c1ccccc1 34a_100000210709_100000731001 [0,1,0,0,0,1|2,0,0]=4 1710 B15R1.8019 CC(=O)OCNC(C)c1ccccc1C 34a_100000181355_100009813279 [0,1,0,0,0,1|2,0,0]=4 1711 B15R1.8019 CC(=O)OCNC(C)c1ccccc1Cl 34a_100000174978_100009813279 [0,1,0,0,0,1|2,0,0]=4 1712 B15R1.8019 CC(=O)OCNC(C)c1ccccc1F 34a_100000181408_100009813279 [0,1,0,0,0,1|2,0,0]=4 1713 B15R1.8019 CC(=O)OCOC(C)c1ccccc1Br 34a_100000702211_100009813279 [0,1,0,0,0,1|2,0,0]=4 1714 B15R1.8019 CC(=O)OCOC(C)c1ccccc1C 34a_100000742021_100009813279 [0,1,0,0,0,1|2,0,0]=4 1715 B15R1.8019 CC(=O)OCOC(C)c1ccccc1Cl 34a_100000740796_100009813279 [0,1,0,0,0,1|2,0,0]=4 1716 B15R1.8019 CC(=O)OCOC(C)c1ccccc1F 34a_100000697922_100009813279 [0,1,0,0,0,1|2,0,0]=4 1717 B15R1.8019 CC(=O)OCSC(C)c1ccccc1Cl 62a_100000076356_100000181259 [0,1,0,0,0,1|2,0,0]=4 1718 B15R1.8019 CC(=O)OCSC(C)c1ccccc1Cl 62a_100000181259_100000076356 [0,1,0,0,0,1|2,0,0]=4 1719 B15R1.8019 CC(=O)OCSC(C)c1ccccc1F 62a_100000076356_200000741388 [0,1,0,0,0,1|2,0,0]=4 1720 B15R1.8019 CC(=O)OCSC(C)c1ccccc1F 62a_200000741388_100000076356 [0,1,0,0,0,1|2,0,0]=4 1721 B15R1.8019 CC(NCCC(=O)N)c1ccccc1Br 2230a_100000181357_100000744528 [0,1,0,0,0,1|2,0,0]=4 1722 B15R1.8019 CC(NCCC(=O)N)c1ccccc1Br 269862a_100000740010_100000187085 [0,1,0,0,0,1|2,0,0]=4 1723 B15R1.8019 CC(NCCC(=O)N)c1ccccc1Cl 2230a_100000174978_100000744528 [0,1,0,0,0,1|2,0,0]=4 1724 B15R1.8019 CC(NCCC(=O)N)c1ccccc1Cl 269862a_100000740010_100000210134 [0,1,0,0,0,1|2,0,0]=4 1725 B15R1.8019 CC(NCCC(=O)N)c1ccccc1Cl 34a_100000174978_100000731001 [0,1,0,0,0,1|2,0,0]=4 1726 B15R1.8019 CC(NCCC(=O)N)c1ccccc1F 2230a_100000181408_100000744528 [0,1,0,0,0,1|2,0,0]=4 1727 B15R1.8019 CC(NCCC(=O)N)c1ccccc1F 269862a_100000740010_100000210632 [0,1,0,0,0,1|2,0,0]=4 1728 B15R1.8019 CC(NCCC(=O)N)c1ccccc1F 34a_100000181408_100000731001 [0,1,0,0,0,1|2,0,0]=4 1729 B15R1.8019 CC(NCCC(=O)N)c1ccccc1I 269862a_100000740010_100000751169 [0,1,0,0,0,1|2,0,0]=4 1730 B15R1.8019 CC(OCCC(=O)N)c1ccccc1Br 34a_100000702211_100000731001 [0,1,0,0,0,1|2,0,0]=4 1731 B15R1.8019 CC(OCCC(=O)N)c1ccccc1Br 7a_100000702211_100000744528 [0,1,0,0,0,1|2,0,0]=4 1732 B15R1.8019 CC(OCCC(=O)N)c1ccccc1Cl 34a_100000740796_100000731001 [0,1,0,0,0,1|2,0,0]=4 1733 B15R1.8019 CC(OCCC(=O)N)c1ccccc1Cl 7a_100000740796_100000744528 [0,1,0,0,0,1|2,0,0]=4 1734 B15R1.8019 CC(OCCC(=O)N)c1ccccc1Cl 7a_100000757172_100000181259 [0,1,0,0,0,1|2,0,0]=4 1735 B15R1.8019 CC(OCCC(=O)N)c1ccccc1F 34a_100000697922_100000731001 [0,1,0,0,0,1|2,0,0]=4 1736 B15R1.8019 CC(OCCC(=O)N)c1ccccc1F 34a_100000757172_200000741388 [0,1,0,0,0,1|2,0,0]=4 1737 B15R1.8019 CC(OCCC(=O)N)c1ccccc1F 7a_100000697922_100000744528 [0,1,0,0,0,1|2,0,0]=4 1738 B15R1.8019 CC(OCCC(=O)N)c1ccccc1F 7a_100000757172_200000741388 [0,1,0,0,0,1|2,0,0]=4 1739 B15R1.8019 CC(OCCC(=O)N)c1ccccc1N 7a_100011405641_100000744528 [0,1,0,0,0,1|2,0,0]=4 1740 B15R1.8019 CC(SCCC(=O)N)c1ccccc1Cl 62a_100000181259_100000744528 [0,1,0,0,0,1|2,0,0]=4 1741 B15R1.8019 CC(SCCC(=O)N)c1ccccc1Cl 62a_100000744528_100000181259 [0,1,0,0,0,1|2,0,0]=4 1742 B15R1.8019 CC(SCCC(=O)N)c1ccccc1F 62a_100000744528_200000741388 [0,1,0,0,0,1|2,0,0]=4 1743 B15R1.8019 CC(SCCC(=O)N)c1ccccc1F 62a_200000741388_100000744528 [0,1,0,0,0,1|2,0,0]=4 1744 B15R1.8019 CN(CCOC(=O)N)c1ccccc1Br 269982a_100020606079_200011214921 [0,1,0,0,0,1|2,0,0]=4 1745 B15R1.8019 CN(CCOC(=O)N)c1ccccc1Br 34a_100020606079_200011214921 [0,1,0,0,0,1|2,0,0]=4 1746 B15R1.8019 CN(CCOC(=O)N)c1ccccc1Cl 269982a_100000219374_200011214921 [0,1,0,0,0,1|2,0,0]=4 1747 B15R1.8019 CN(CCOC(=O)N)c1ccccc1Cl 34a_100000219374_200011214921 [0,1,0,0,0,1|2,0,0]=4 1748 B15R1.8019 CN(CCOC(=O)N)c1ccccc1F 269982a_100000220357_200011214921 [0,1,0,0,0,1|2,0,0]=4 1749 B15R1.8019 CN(CCOC(=O)N)c1ccccc1F 34a_100000220357_200011214921 [0,1,0,0,0,1|2,0,0]=4 1750 B15R1.8019 CN(CCOC(=O)N)c1ccccc1O 269982a_100000033821_200011214921 [0,1,0,0,0,1|2,0,0]=4 1751 B15R1.8019 C[C@@H](NCCC(=O)N)c1ccccc1O 2230a_100025703389_100000744528 [0,1,0,0,0,1|2,0,0]=4 1752 B15R1.8019 Cc1ccccc1C(=O)CCOC(=O)N 1458a_100000212026_200011214921 [0,1,0,0,0,1|0,0,2]=4 1753 B15R1.8019 Cc1ccccc1C(C)NCCC(=O)N 2230a_100000181355_100000744528 [0,1,0,0,0,1|2,0,0]=4 1754 B15R1.8019 Cc1ccccc1C(C)NCCC(=O)N 269862a_100000740010_100000211656 [0,1,0,0,0,1|2,0,0]=4 1755 B15R1.8019 Cc1ccccc1C(C)NCCC(=O)N 34a_100000181355_100000731001 [0,1,0,0,0,1|2,0,0]=4 1756 B15R1.8019 Cc1ccccc1C(C)OCCC(=O)N 34a_100000742021_100000731001 [0,1,0,0,0,1|2,0,0]=4 1757 B15R1.8019 Cc1ccccc1C(C)OCCC(=O)N 7a_100000742021_100000744528 [0,1,0,0,0,1|2,0,0]=4 1758 B15R1.8019 Cc1ccccc1N(C)CCOC(=O)N 269982a_100000219699_200011214921 [0,1,0,0,0,1|2,0,0]=4 1759 B15R1.8019 Cc1ccccc1N(C)CCOC(=O)N 34a_100000219699_200011214921 [0,1,0,0,0,1|2,0,0]=4 1760 B15R1.8019 NC(=O)CNCC(O)c1ccccc1Br 2230a_100011236429_100000747473 [0,1,0,0,0,1|1,0,0]=3 1761 B15R1.8019 NC(=O)CNCC(O)c1ccccc1Cl 2230a_200000759403_100000747473 [0,1,0,0,0,1|1,0,0]=3 1762 B15R1.8019 NC(=O)CNCC(O)c1ccccc1Cl 34a_200000759403_100000187820 [0,1,0,0,0,1|1,0,0]=3 1763 B15R1.8019 NC(=O)COCC(N)c1ccccc1Cl 34a_100138412506_100000187820 [0,1,0,0,0,1|1,0,0]=3 1764 B15R1.8019 NC(=O)COCC(N)c1ccncc1Cl 34a_200020642286_100000187820 [0,1,0,0,0,1|2,0,0]=4 1765 B15R1.8019 NC(=O)COC[C@@H](N)c1ccccc1Br 34a_100161155918_100000187820 [0,1,0,0,0,1|1,0,0]=3 1766 B15R1.8019 NC(=O)COC[C@H](N)c1ccccc1F 34a_100009818778_100000187820 [0,1,0,0,0,1|1,0,0]=3 1767 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1Br 1458a_100000188424_200011214921 [0,1,0,0,0,1|0,0,2]=4 1768 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1Cl 1458a_100000185844_200011214921 [0,1,0,0,0,1|0,0,2]=4 1769 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1F 1458a_100000188656_200011214921 [0,1,0,0,0,1|0,0,2]=4 1770 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1I 1458a_100000187884_200011214921 [0,1,0,0,0,1|0,0,2]=4 1771 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1O 1458a_100015234032_200011214921 [0,1,0,0,0,1|0,0,2]=4 1772 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1[O-] 1458a_100009911694_200011214921 [0,1,0,0,0,1|0,0,2]=4 1773 B15R1.8019 NC(COCC(=O)[O-])c1ccccc1Cl 34a_100138412506_100020667443 [0,1,0,0,0,1|2,0,0]=4 1774 B15R1.8019 N[C@@H](COCC(=O)[O-])c1ccccc1F 34a_100009818778_100020667443 [0,1,0,0,0,1|2,0,0]=4 1775 B15R1.8019 N[C@H](COCC(=O)[O-])c1ccccc1Br 34a_100161155918_100020667443 [0,1,0,0,0,1|2,0,0]=4 1776 B15R1.8019 O=C([O-])CNCC(O)c1ccccc1Cl 34a_200000759403_100020667443 [0,1,0,0,0,1|2,0,0]=4 1777 B15R1.8273 CC(=O)OCNC(C)c1cccc(c1)Cl 34a_100102723534_100009813279 [0,1,0,0,0,1|2,0,0]=4 1778 B15R1.8273 CC(=O)OCN[C@H](C)c1cccc(c1)C 34a_100000698126_100009813279 [0,1,0,0,0,1|2,0,0]=4 1779 B15R1.8273 CC(=O)OCN[C@H](C)c1cccc(c1)F 34a_100015193778_100009813279 [0,1,0,0,0,1|2,0,0]=4 1780 B15R1.8273 CC(=O)OCOC(C)c1cccc(c1)Br 34a_100000246457_100009813279 [0,1,0,0,0,1|2,0,0]=4 1781 B15R1.8273 CC(=O)OCOC(C)c1cccc(c1)C 34a_100000757818_100009813279 [0,1,0,0,0,1|2,0,0]=4 1782 B15R1.8273 CC(=O)OCOC(C)c1cccc(c1)F 34a_100000744526_100009813279 [0,1,0,0,0,1|2,0,0]=4 1783 B15R1.8273 CC(=O)OCOC(C)c1cccc(c1)I 34a_100013085317_100009813279 [0,1,0,0,0,1|2,0,0]=4 1784 B15R1.8273 CC(=O)OCOC(C)c1cccc(c1)N 34a_100011217120_100009813279 [0,1,0,0,0,1|2,0,0]=4 1785 B15R1.8273 CC(=O)OCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100009813279 [0,1,0,0,0,1|2,0,0]=4 1786 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)Br 2230a_100020642005_100000744528 [0,1,0,0,0,1|2,0,0]=4 1787 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)Br 269862a_100000740010_100000210093 [0,1,0,0,0,1|2,0,0]=4 1788 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)Cl 2230a_100102723534_100000744528 [0,1,0,0,0,1|2,0,0]=4 1789 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)Cl 269862a_100000740010_200000210964 [0,1,0,0,0,1|2,0,0]=4 1790 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)Cl 34a_100102723534_100000731001 [0,1,0,0,0,1|2,0,0]=4 1791 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)F 269862a_100000740010_100000187083 [0,1,0,0,0,1|2,0,0]=4 1792 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)I 269862a_100000740010_100011356966 [0,1,0,0,0,1|2,0,0]=4 1793 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)O 2230a_100000740644_100000744528 [0,1,0,0,0,1|2,0,0]=4 1794 B15R1.8273 CC(NCCC(=O)N)c1cccc(c1)O 269862a_100000740010_100000211620 [0,1,0,0,0,1|2,0,0]=4 1795 B15R1.8273 CC(OCCC(=O)N)c1cccc(c1)Br 34a_100000246457_100000731001 [0,1,0,0,0,1|2,0,0]=4 1796 B15R1.8273 CC(OCCC(=O)N)c1cccc(c1)Br 7a_100000246457_100000744528 [0,1,0,0,0,1|2,0,0]=4 1797 B15R1.8273 CC(OCCC(=O)N)c1cccc(c1)F 34a_100000744526_100000731001 [0,1,0,0,0,1|2,0,0]=4 1798 B15R1.8273 CC(OCCC(=O)N)c1cccc(c1)F 7a_100000744526_100000744528 [0,1,0,0,0,1|2,0,0]=4 1799 B15R1.8273 CC(OCCC(=O)N)c1cccc(c1)I 34a_100013085317_100000731001 [0,1,0,0,0,1|2,0,0]=4 1800 B15R1.8273 CC(OCCC(=O)N)c1cccc(c1)I 7a_100013085317_100000744528 [0,1,0,0,0,1|2,0,0]=4 1801 B15R1.8273 CC(OCCC(=O)N)c1cccc(c1)N 34a_100011217120_100000731001 [0,1,0,0,0,1|2,0,0]=4 1802 B15R1.8273 CC(OCCC(=O)N)c1cccc(c1)N 7a_100011217120_100000744528 [0,1,0,0,0,1|2,0,0]=4 1803 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)Br 269982a_100000219648_200011214921 [0,1,0,0,0,1|2,0,0]=4 1804 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)Br 34a_100000219648_200011214921 [0,1,0,0,0,1|2,0,0]=4 1805 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)Cl 269982a_100000220044_200011214921 [0,1,0,0,0,1|2,0,0]=4 1806 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)Cl 34a_100000220044_200011214921 [0,1,0,0,0,1|2,0,0]=4 1807 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)F 269982a_100020633736_200011214921 [0,1,0,0,0,1|2,0,0]=4 1808 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)F 34a_100020633736_200011214921 [0,1,0,0,0,1|2,0,0]=4 1809 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)I 269982a_100000221217_200011214921 [0,1,0,0,0,1|2,0,0]=4 1810 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)I 34a_100000221217_200011214921 [0,1,0,0,0,1|2,0,0]=4 1811 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)O 269982a_100000756613_200011214921 [0,1,0,0,0,1|2,0,0]=4 1812 B15R1.8273 CN(CCOC(=O)N)c1cccc(c1)O 34a_100000756613_200011214921 [0,1,0,0,0,1|2,0,0]=4 1813 B15R1.8273 C[C@@H](NCCC(=O)N)c1cccc(c1)F 2230a_100015193778_100000744528 [0,1,0,0,0,1|2,0,0]=4 1814 B15R1.8273 C[C@@H](NCCC(=O)N)c1cccc(c1)F 34a_100015193778_100000731001 [0,1,0,0,0,1|2,0,0]=4 1815 B15R1.8273 C[C@@H](OCCC(=O)N)c1cccc(c1)Cl 34a_100000747380_100000731001 [0,1,0,0,0,1|2,0,0]=4 1816 B15R1.8273 C[C@@H](OCCC(=O)N)c1cccc(c1)Cl 7a_100000747380_100000744528 [0,1,0,0,0,1|2,0,0]=4 1817 B15R1.8273 Cc1cccc(c1)C(=O)CCOC(=O)N 1458a_100000189346_200011214921 [0,1,0,0,0,1|0,0,2]=4 1818 B15R1.8273 Cc1cccc(c1)C(C)NCCC(=O)N 269862a_100000740010_100000211476 [0,1,0,0,0,1|2,0,0]=4 1819 B15R1.8273 Cc1cccc(c1)C(C)OCCC(=O)N 34a_100000757818_100000731001 [0,1,0,0,0,1|2,0,0]=4 1820 B15R1.8273 Cc1cccc(c1)C(C)OCCC(=O)N 7a_100000757818_100000744528 [0,1,0,0,0,1|2,0,0]=4 1821 B15R1.8273 Cc1cccc(c1)N(C)CCOC(=O)N 269982a_100000219674_200011214921 [0,1,0,0,0,1|2,0,0]=4 1822 B15R1.8273 Cc1cccc(c1)N(C)CCOC(=O)N 34a_100000219674_200011214921 [0,1,0,0,0,1|2,0,0]=4 1823 B15R1.8273 Cc1cccc(c1)[C@@H](C)NCCC(=O)N 2230a_100000698126_100000744528 [0,1,0,0,0,1|2,0,0]=4 1824 B15R1.8273 Cc1cccc(c1)[C@@H](C)NCCC(=O)N 34a_100000698126_100000731001 [0,1,0,0,0,1|2,0,0]=4 1825 B15R1.8273 Cc1cccc(c1)[C@H](N)COCC(=O)N 34a_100009818812_100000187820 [0,1,0,0,0,1|1,0,0]=3 1826 B15R1.8273 Cc1cccc(c1)[C@H](N)COCC(=O)[O-] 34a_100009818812_100020667443 [0,1,0,0,0,1|2,0,0]=4 1827 B15R1.8273 NC(=O)CNCC(O)c1cccc(c1)O 2230a_100020657549_100000747473 [0,1,0,0,0,1|1,0,0]=3 1828 B15R1.8273 NC(=O)CNCC(O)c1cccc(c1)O 34a_100020657549_100000187820 [0,1,0,0,0,1|1,0,0]=3 1829 B15R1.8273 NC(=O)COCC(=O)c1cccc(c1)Cl 7a_200011592804_100000187820 [0,1,0,0,0,1|0,0,2]=4 1830 B15R1.8273 NC(=O)COCC(=O)c1cccc(c1)F 34a_100011592800_100000187820 [0,1,0,0,0,1|0,0,2]=4 1831 B15R1.8273 NC(=O)COCC(=O)c1cccc(c1)F 7a_100011592800_100000187820 [0,1,0,0,0,1|0,0,2]=4 1832 B15R1.8273 NC(=O)COCC(N)c1cccc(c1)Br 34a_100000690078_100000187820 [0,1,0,0,0,1|1,0,0]=3 1833 B15R1.8273 NC(=O)COCC(N)c1cccc(n1)F 34a_200020642391_100000187820 [0,1,0,0,0,1|2,0,0]=4 1834 B15R1.8273 NC(=O)COC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000187820 [0,1,0,0,0,1|1,0,0]=3 1835 B15R1.8273 NC(=O)COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000187820 [0,1,0,0,0,1|1,0,0]=3 1836 B15R1.8273 NC(=O)OCCC(=O)c1cccc(c1)Br 1458a_100000210664_200011214921 [0,1,0,0,0,1|0,0,2]=4 1837 B15R1.8273 NC(=O)OCCC(=O)c1cccc(c1)Cl 1458a_100000210390_200011214921 [0,1,0,0,0,1|0,0,2]=4 1838 B15R1.8273 NC(=O)OCCC(=O)c1cccc(c1)F 1458a_100000210950_200011214921 [0,1,0,0,0,1|0,0,2]=4 1839 B15R1.8273 NC(=O)OCCC(=O)c1cccc(c1)I 1458a_100000184098_200011214921 [0,1,0,0,0,1|0,0,2]=4 1840 B15R1.8273 NC(=O)OCCC(=O)c1cccc(c1)O 1458a_100000183914_200011214921 [0,1,0,0,0,1|0,0,2]=4 1841 B15R1.8273 NC(COCC(=O)[O-])c1cccc(c1)Br 34a_100000690078_100020667443 [0,1,0,0,0,1|2,0,0]=4 1842 B15R1.8273 N[C@@H](COCC(=O)[O-])c1cccc(c1)Cl 34a_100032004910_100020667443 [0,1,0,0,0,1|2,0,0]=4 1843 B15R1.8273 N[C@H](COCC(=O)[O-])c1cccc(c1)F 34a_100020641251_100020667443 [0,1,0,0,0,1|2,0,0]=4 1844 B15R1.8273 O=C([O-])CNCC(O)c1cccc(c1)O 34a_100020657549_100020667443 [0,1,0,0,0,1|2,0,0]=4 1845 B15R1.9094 NS(=O)(=O)CSCC(O)c1ccccc1 62a_100000185958_100000741382 [0,1,0,0,0,1|1,1,0]=4 1846 B15R1.9094 NS(=O)(=O)CSCC(O)c1ccccc1 62a_100000741382_100000185958 [0,1,0,0,0,1|1,1,0]=4 1847 B15R1.9094 NS(=O)(=O)CSC[C@@H](O)c1ccccc1 62a_100000741382_100011933945 [0,1,0,0,0,1|1,1,0]=4 1848 B15R1.9094 NS(=O)(=O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000741382 [0,1,0,0,0,1|1,1,0]=4 1849 B15R1.496 NC(=O)CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000187820 [0,1,0,0,0,1|1,0,1]=4 1850 B15R1.964 C=CC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_200121576911 [0,1,0,0,0,1|2,0,0]=4 1851 B15R1.964 CC(CN)OC[C@@H](O)Cc1ccccc1 34a_100000210904_100000729385 [0,1,0,0,0,1|1,0,1]=4 1852 B15R1.964 CCC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100000210414 [0,1,0,0,0,1|2,0,0]=4 1853 B15R1.964 CCC(=O)NCC(O)Cc1ccccc1 527a_100000752270_100000210414 [0,1,0,0,0,1|2,0,0]=4 1854 B15R1.964 CNC(=O)NCC(C)Oc1ccccc1 2708a_100000755676_106832991635 [0,1,0,0,0,1|2,0,0]=4 1855 B15R1.964 CNC(=O)NCC(C)Oc1ccccc1 2708a_100102657272_100000755676 [0,1,0,0,0,1|2,0,0]=4 1856 B15R1.964 CNC(=O)NCC(C)Oc1ccccc1 273464a_100000755676_100102657272 [0,1,0,0,0,1|2,0,0]=4 1857 B15R1.964 CNC(=O)NCC(C)Oc1ccccc1 273464a_100102657272_100000755676 [0,1,0,0,0,1|2,0,0]=4 1858 B15R1.964 CNC(=O)NCC(C)Oc1ccccc1 512a_100000755676_100102657272 [0,1,0,0,0,1|2,0,0]=4 1859 B15R1.964 CNC(=O)NCC(C)Oc1ccccc1 512a_106832991638_100000755676 [0,1,0,0,0,1|2,0,0]=4 1860 B15R1.964 CNC(=O)NCC(O)Cc1ccccc1 2708a_100102657272_100000752270 [0,1,0,0,0,1|1,0,0]=3 1861 B15R1.964 CNC(=O)NCC(O)Cc1ccccc1 273464a_100000752270_100102657272 [0,1,0,0,0,1|1,0,0]=3 1862 B15R1.964 CNC(=O)NCC(O)Cc1ccccc1 273464a_100102657272_100000752270 [0,1,0,0,0,1|1,0,0]=3 1863 B15R1.964 CNC(=O)NCC(O)Cc1ccccc1 512a_106832991638_100000752270 [0,1,0,0,0,1|1,0,0]=3 1864 B15R1.964 O=C(CO)NCC(O)Cc1ccccc1 240690a_100000752270_100000210174 [0,1,0,0,0,1|2,0,0]=4 1865 B15R1.964 O=C(CO)NCC(O)Cc1ccccc1 527a_100000752270_100000210174 [0,1,0,0,0,1|2,0,0]=4 1866 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 240690a_100160572655_100015343762 [0,1,0,0,0,1|2,0,0]=4 1867 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 527a_100160572655_100103153847 [0,1,0,0,0,1|2,0,0]=4 1868 B15R1.4008 NC(=O)CNC(CO)Cc1ccccc1 2230a_100000739027_100000747473 [0,1,0,0,0,1|2,0,0]=4 1869 B15R1.133 C=CC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_200121576911 [0,2,0,0,0,0|2,0,0]=4 1870 B15R1.133 CCC(=O)NCC(O)c1cccc(c1)O 240690a_100020657549_100000210414 [0,2,0,0,0,0|2,0,0]=4 1871 B15R1.133 CCC(=O)NCC(O)c1cccc(c1)O 527a_100020657549_100000210414 [0,2,0,0,0,0|2,0,0]=4 1872 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 2708a_100102657272_100020657549 [0,2,0,0,0,0|1,0,0]=3 1873 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 273464a_100102657272_100020657549 [0,2,0,0,0,0|1,0,0]=3 1874 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 512a_100020657549_100102657272 [0,2,0,0,0,0|1,0,0]=3 1875 B15R1.133 CNC(=O)NCC(O)c1cccc(c1)O 512a_106832991638_100020657549 [0,2,0,0,0,0|1,0,0]=3 1876 B15R1.133 O=C(CO)NCC(O)c1cccc(c1)O 240690a_100020657549_100000210174 [0,2,0,0,0,0|2,0,0]=4 1877 B15R1.133 O=C(CO)NCC(O)c1cccc(c1)O 527a_100020657549_100000210174 [0,2,0,0,0,0|2,0,0]=4 1878 B15R1.660 Cc1cccc(c1)[C@@H](CO)NCC(=O)N 2230a_100009818812_100000747473 [0,2,0,0,0,0|2,0,0]=4 1879 B15R1.660 Cc1cccc(c1)[C@@H](CO)NCC(=O)N 34a_100009818812_100000187820 [0,2,0,0,0,0|2,0,0]=4 1880 B15R1.660 NC(=O)CNC(CO)c1cccc(c1)Br 2230a_100000690078_100000747473 [0,2,0,0,0,0|2,0,0]=4 1881 B15R1.660 NC(=O)CNC(CO)c1cccc(c1)Br 34a_100000690078_100000187820 [0,2,0,0,0,0|2,0,0]=4 1882 B15R1.660 NC(=O)CNC(CO)c1cccc(c1)O 2230a_100025717460_100000747473 [0,2,0,0,0,0|2,0,0]=4 1883 B15R1.660 NC(=O)CNC(CO)c1cccc(c1)O 34a_100025717460_100000187820 [0,2,0,0,0,0|2,0,0]=4 1884 B15R1.660 NC(=O)CN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000747473 [0,2,0,0,0,0|2,0,0]=4 1885 B15R1.660 NC(=O)CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000187820 [0,2,0,0,0,0|2,0,0]=4 1886 B15R1.660 NC(=O)CN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000747473 [0,2,0,0,0,0|2,0,0]=4 1887 B15R1.660 NC(=O)CN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000187820 [0,2,0,0,0,0|2,0,0]=4 1888 B15R1.889 CC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100103153847 [0,2,0,0,0,0|2,0,0]=4 1889 B15R1.8271 Cc1cccc(c1)C(O)C(=O)CC(=O)N 1458a_100011434945_100000187820 [0,2,0,0,0,0|1,0,1]=4 1890 B15R1.8271 NC(=O)CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000187820 [0,2,0,0,0,0|1,0,1]=4 1891 B15R1.8271 NC(=O)CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000187820 [0,2,0,0,0,0|1,0,1]=4 1892 B15R1.8272 CC(=O)N(C)CC(O)c1cccc(c1)Br 240690a_200000733937_100015343762 [0,2,0,0,0,0|2,0,0]=4 1893 B15R1.8272 CC(=O)N(C)CC(O)c1cccc(c1)Br 527a_200000733937_100103153847 [0,2,0,0,0,0|2,0,0]=4 1894 B15R1.8272 CC(=O)N(C)C[C@H](O)c1cccc(c1)O 240690a_100009815823_100015343762 [0,2,0,0,0,0|2,0,0]=4 1895 B15R1.8272 CC(=O)N(C)C[C@H](O)c1cccc(c1)O 527a_100009815823_100103153847 [0,2,0,0,0,0|2,0,0]=4 1896 B15R1.5792 NC(=O)CC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000187820 [0,2,0,0,0,0|1,0,1]=4 1897 B15R1.5792 NC(=O)CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000187820 [0,2,0,0,0,0|1,0,1]=4 1898 B15R1.5792 NC(=O)CC(=O)C(O)c1ccccc1F 1458a_100011219519_100000187820 [0,2,0,0,0,0|1,0,1]=4 1899 B15R1.5815 C=CC(=O)NCC(O)c1ccccc1Br 240690a_100011236429_200121576911 [0,2,0,0,0,0|2,0,0]=4 1900 B15R1.5815 C=CC(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_200121576911 [0,2,0,0,0,0|2,0,0]=4 1901 B15R1.5815 CCC(=O)NCC(O)c1ccccc1Br 240690a_100011236429_100000210414 [0,2,0,0,0,0|2,0,0]=4 1902 B15R1.5815 CCC(=O)NCC(O)c1ccccc1Br 527a_100011236429_100000210414 [0,2,0,0,0,0|2,0,0]=4 1903 B15R1.5815 CCC(=O)NCC(O)c1ccccc1Cl 240690a_200000759403_100000210414 [0,2,0,0,0,0|2,0,0]=4 1904 B15R1.5815 CCC(=O)NCC(O)c1ccccc1Cl 527a_200000759403_100000210414 [0,2,0,0,0,0|2,0,0]=4 1905 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Br 2708a_100102657272_100011236429 [0,2,0,0,0,0|1,0,0]=3 1906 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Br 273464a_100011236429_100102657272 [0,2,0,0,0,0|1,0,0]=3 1907 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Br 273464a_100102657272_100011236429 [0,2,0,0,0,0|1,0,0]=3 1908 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Br 512a_106832991638_100011236429 [0,2,0,0,0,0|1,0,0]=3 1909 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Cl 2708a_100102657272_200000759403 [0,2,0,0,0,0|1,0,0]=3 1910 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Cl 273464a_100102657272_200000759403 [0,2,0,0,0,0|1,0,0]=3 1911 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Cl 273464a_200000759403_100102657272 [0,2,0,0,0,0|1,0,0]=3 1912 B15R1.5815 CNC(=O)NCC(O)c1ccccc1Cl 512a_106832991638_200000759403 [0,2,0,0,0,0|1,0,0]=3 1913 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Br 240690a_100011236429_100000210174 [0,2,0,0,0,0|2,0,0]=4 1914 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Br 527a_100011236429_100000210174 [0,2,0,0,0,0|2,0,0]=4 1915 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Cl 240690a_200000759403_100000210174 [0,2,0,0,0,0|2,0,0]=4 1916 B15R1.5815 O=C(CO)NCC(O)c1ccccc1Cl 527a_200000759403_100000210174 [0,2,0,0,0,0|2,0,0]=4 1917 B15R1.10019 NC(=O)CNC(CO)c1ccccc1Cl 2230a_100138412506_100000747473 [0,2,0,0,0,0|2,0,0]=4 1918 B15R1.10019 NC(=O)CNC(CO)c1ccccc1Cl 34a_100138412506_100000187820 [0,2,0,0,0,0|2,0,0]=4 1919 B15R1.10019 NC(=O)CN[C@@H](CO)c1ccccc1F 2230a_100009818778_100000747473 [0,2,0,0,0,0|2,0,0]=4 1920 B15R1.10019 NC(=O)CN[C@@H](CO)c1ccccc1F 34a_100009818778_100000187820 [0,2,0,0,0,0|2,0,0]=4 1921 B15R1.10019 NC(=O)CN[C@H](CO)c1ccccc1Br 2230a_100161155918_100000747473 [0,2,0,0,0,0|2,0,0]=4 1922 B15R1.10019 NC(=O)CN[C@H](CO)c1ccccc1Br 34a_100161155918_100000187820 [0,2,0,0,0,0|2,0,0]=4 1923 B15R1.89 C#CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100011220946_100000729684 [0,2,0,0,0,0|2,0,0]=4 1924 B15R1.89 C#CCC(=O)NCC(O)c1ccccc1 527a_100000210709_100011220946 [0,2,0,0,0,0|2,0,0]=4 1925 B15R1.89 C=CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210193_100000729684 [0,2,0,0,0,0|2,0,0]=4 1926 B15R1.89 C=CCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210193 [0,2,0,0,0,0|2,0,0]=4 1927 B15R1.89 C=CCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210193 [0,2,0,0,0,0|2,0,0]=4 1928 B15R1.89 CC#CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000763181_100000729684 [0,2,0,0,0,0|2,0,0]=4 1929 B15R1.89 CC=CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210699_100000729684 [0,2,0,0,0,0|2,0,0]=4 1930 B15R1.89 CC=CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210699 [0,2,0,0,0,0|2,0,0]=4 1931 B15R1.89 CCCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000211992_100000729684 [0,2,0,0,0,0|2,0,0]=4 1932 B15R1.89 CCCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000211992 [0,2,0,0,0,0|2,0,0]=4 1933 B15R1.89 CCCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000211992 [0,2,0,0,0,0|2,0,0]=4 1934 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 2708a_100000701038_100015525214 [0,2,0,0,0,0|2,0,0]=4 1935 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 2708a_100015525214_100000701038 [0,2,0,0,0,0|2,0,0]=4 1936 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 273464a_100000701038_100015525214 [0,2,0,0,0,0|2,0,0]=4 1937 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 273464a_100015525214_100000701038 [0,2,0,0,0,0|2,0,0]=4 1938 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 512a_100015525214_100000701038 [0,2,0,0,0,0|2,0,0]=4 1939 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 2708a_100015525214_100000210709 [0,2,0,0,0,0|1,0,0]=3 1940 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 273464a_100000210709_100015525214 [0,2,0,0,0,0|1,0,0]=3 1941 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 273464a_100015525214_100000210709 [0,2,0,0,0,0|1,0,0]=3 1942 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 512a_100015525214_100000210709 [0,2,0,0,0,0|1,0,0]=3 1943 B15R1.89 CCNC(=O)NCC(O)c1ccccn1 2708a_100015525214_100000691469 [0,2,0,0,0,0|2,0,0]=4 1944 B15R1.89 CCNC(=O)NCC(O)c1ccccn1 273464a_100000691469_100015525214 [0,2,0,0,0,0|2,0,0]=4 1945 B15R1.89 CCNC(=O)NCC(O)c1ccccn1 273464a_100015525214_100000691469 [0,2,0,0,0,0|2,0,0]=4 1946 B15R1.89 CCNC(=O)NCC(O)c1ccccn1 512a_100015525214_100000691469 [0,2,0,0,0,0|2,0,0]=4 1947 B15R1.89 CCNC(=O)NCC(O)c1cccnc1 2708a_100015525214_100020605170 [0,2,0,0,0,0|2,0,0]=4 1948 B15R1.89 CCNC(=O)NCC(O)c1cccnc1 273464a_100015525214_100020605170 [0,2,0,0,0,0|2,0,0]=4 1949 B15R1.89 CCNC(=O)NCC(O)c1cccnc1 512a_100015525214_100020605170 [0,2,0,0,0,0|2,0,0]=4 1950 B15R1.89 CNNC(=O)NCC(C)c1ccccc1 273464a_100000701038_100016993582 [0,2,0,0,0,0|2,0,0]=4 1951 B15R1.89 CNNC(=O)NCC(C)c1ccccc1 512a_100016993582_100000701038 [0,2,0,0,0,0|2,0,0]=4 1952 B15R1.89 CNNC(=O)NCC(O)c1ccccc1 273464a_100000210709_100016993582 [0,2,0,0,0,0|1,0,0]=3 1953 B15R1.89 CNNC(=O)NCC(O)c1ccccc1 512a_100016993582_100000210709 [0,2,0,0,0,0|1,0,0]=3 1954 B15R1.89 CNNC(=O)NCC(O)c1ccccn1 273464a_100000691469_100016993582 [0,2,0,0,0,0|2,0,0]=4 1955 B15R1.89 CNNC(=O)NCC(O)c1ccccn1 512a_100016993582_100000691469 [0,2,0,0,0,0|2,0,0]=4 1956 B15R1.89 CNNC(=O)NCC(O)c1cccnc1 512a_100016993582_100020605170 [0,2,0,0,0,0|2,0,0]=4 1957 B15R1.89 COCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210968_100000729684 [0,2,0,0,0,0|2,0,0]=4 1958 B15R1.89 COCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210968 [0,2,0,0,0,0|2,0,0]=4 1959 B15R1.89 COCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210968 [0,2,0,0,0,0|2,0,0]=4 1960 B15R1.89 CSCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000184570_100000729684 [0,2,0,0,0,0|2,0,0]=4 1961 B15R1.89 CSCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000184570 [0,2,0,0,0,0|2,0,0]=4 1962 B15R1.89 CSCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000184570 [0,2,0,0,0,0|2,0,0]=4 1963 B15R1.89 N#CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100051588842_100000729684 [0,2,0,0,0,0|1,0,1]=4 1964 B15R1.89 N#CCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100051588842 [0,2,0,0,0,0|1,0,1]=4 1965 B15R1.89 O=C(C=CBr)CC[C@@H](O)c1ccccc1 1458a_100016273825_100000729684 [0,2,0,0,0,0|2,0,0]=4 1966 B15R1.89 O=C(C=CBr)NCC(O)c1ccccc1 240690a_100000210709_100016273825 [0,2,0,0,0,0|2,0,0]=4 1967 B15R1.89 O=C(C=CCl)CC[C@@H](O)c1ccccc1 1458a_200016279998_100000729684 [0,2,0,0,0,0|2,0,0]=4 1968 B15R1.89 O=C(C=CCl)NCC(O)c1ccccc1 240690a_100000210709_200016279998 [0,2,0,0,0,0|2,0,0]=4 1969 B15R1.89 O=C(C=CI)CC[C@@H](O)c1ccccc1 1458a_100016256311_100000729684 [0,2,0,0,0,0|2,0,0]=4 1970 B15R1.89 O=C(CCO)CC[C@@H](O)c1ccccc1 1458a_100011216618_100000729684 [0,2,0,0,0,0|2,0,0]=4 1971 B15R1.89 O=C(CCO)NCC(O)c1ccccc1 240690a_100000210709_100011216618 [0,2,0,0,0,0|2,0,0]=4 1972 B15R1.132 C=CC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_200121576911 [0,2,0,0,0,0|2,0,0]=4 1973 B15R1.132 C=CC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_200121576911 [0,2,0,0,0,0|2,0,0]=4 1974 B15R1.132 C=CC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_200121576911 [0,2,0,0,0,0|2,0,0]=4 1975 B15R1.132 C=CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_200121576911 [0,2,0,0,0,0|2,0,0]=4 1976 B15R1.132 CC(CN)OCC(O)c1ccc(cc1)Cl 34a_100000210904_200011996143 [0,2,0,0,0,0|1,0,1]=4 1977 B15R1.132 CC(CN)OC[C@H](O)c1ccc(cc1)F 34a_100000210904_100000720402 [0,2,0,0,0,0|1,0,1]=4 1978 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000210414 [0,2,0,0,0,0|2,0,0]=4 1979 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000210414 [0,2,0,0,0,0|2,0,0]=4 1980 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)C 240690a_200020610344_100000210414 [0,2,0,0,0,0|2,0,0]=4 1981 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)C 527a_200020610344_100000210414 [0,2,0,0,0,0|2,0,0]=4 1982 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Cl 11a_100000736658_100000210414 [0,2,0,0,0,0|2,0,0]=4 1983 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000210414 [0,2,0,0,0,0|2,0,0]=4 1984 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000210414 [0,2,0,0,0,0|2,0,0]=4 1985 B15R1.132 CCC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210414 [0,2,0,0,0,0|2,0,0]=4 1986 B15R1.132 CNC(=O)NCC(C)c1ccc(cc1)O 2708a_100102657272_200015188644 [0,2,0,0,0,0|2,0,0]=4 1987 B15R1.132 CNC(=O)NCC(C)c1ccc(cc1)O 2708a_200015188644_106832991635 [0,2,0,0,0,0|2,0,0]=4 1988 B15R1.132 CNC(=O)NCC(C)c1ccc(cc1)O 273464a_100102657272_200015188644 [0,2,0,0,0,0|2,0,0]=4 1989 B15R1.132 CNC(=O)NCC(C)c1ccc(cc1)O 273464a_200015188644_100102657272 [0,2,0,0,0,0|2,0,0]=4 1990 B15R1.132 CNC(=O)NCC(C)c1ccc(cc1)O 512a_106832991638_200015188644 [0,2,0,0,0,0|2,0,0]=4 1991 B15R1.132 CNC(=O)NCC(C)c1ccc(cc1)O 512a_200015188644_100102657272 [0,2,0,0,0,0|2,0,0]=4 1992 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)Br 2708a_100102657272_100020626992 [0,2,0,0,0,0|1,0,0]=3 1993 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)Br 273464a_100020626992_100102657272 [0,2,0,0,0,0|1,0,0]=3 1994 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)Br 273464a_100102657272_100020626992 [0,2,0,0,0,0|1,0,0]=3 1995 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)Br 512a_100020626992_100102657272 [0,2,0,0,0,0|1,0,0]=3 1996 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)Br 512a_106832991638_100020626992 [0,2,0,0,0,0|1,0,0]=3 1997 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)C 2708a_100102657272_200020610344 [0,2,0,0,0,0|1,0,0]=3 1998 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)C 273464a_100102657272_200020610344 [0,2,0,0,0,0|1,0,0]=3 1999 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)C 273464a_200020610344_100102657272 [0,2,0,0,0,0|1,0,0]=3 2000 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)C 512a_106832991638_200020610344 [0,2,0,0,0,0|1,0,0]=3 2001 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)Cl 2708a_100102657272_100000736658 [0,2,0,0,0,0|1,0,0]=3 2002 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)Cl 273464a_100102657272_100000736658 [0,2,0,0,0,0|1,0,0]=3 2003 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)Cl 512a_100000736658_100102657272 [0,2,0,0,0,0|1,0,0]=3 2004 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)Cl 512a_106832991638_100000736658 [0,2,0,0,0,0|1,0,0]=3 2005 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)O 2708a_100102657272_100000067596 [0,2,0,0,0,0|1,0,0]=3 2006 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)O 273464a_100102657272_100000067596 [0,2,0,0,0,0|1,0,0]=3 2007 B15R1.132 CNC(=O)NCC(O)c1ccc(cc1)O 512a_106832991638_100000067596 [0,2,0,0,0,0|1,0,0]=3 2008 B15R1.132 Cc1ccc(cc1)C(O)CNC(=O)CO 240690a_200020610344_100000210174 [0,2,0,0,0,0|2,0,0]=4 2009 B15R1.132 Cc1ccc(cc1)C(O)CNC(=O)CO 527a_200020610344_100000210174 [0,2,0,0,0,0|2,0,0]=4 2010 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)Br 240690a_100020626992_100000210174 [0,2,0,0,0,0|2,0,0]=4 2011 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)Br 527a_100020626992_100000210174 [0,2,0,0,0,0|2,0,0]=4 2012 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)Cl 240690a_100000736658_100000210174 [0,2,0,0,0,0|2,0,0]=4 2013 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)Cl 527a_100000736658_100000210174 [0,2,0,0,0,0|2,0,0]=4 2014 B15R1.132 O=C(CO)NCC(O)c1ccc(cc1)O 240690a_100000067596_100000210174 [0,2,0,0,0,0|2,0,0]=4 2015 B15R1.652 NCC(CN)OCC(O)c1ccccc1 34a_100000031598_100000185958 [0,2,0,0,0,0|1,0,1]=4 2016 B15R1.652 NCC(CN)OC[C@@H](O)c1ccccc1 34a_100000031598_100011933945 [0,2,0,0,0,0|1,0,1]=4 2017 B15R1.947 C=CC(=O)N(C)CC(O)c1ccccc1 240690a_100000227976_200121576911 [0,2,0,0,0,0|2,0,0]=4 2018 B15R1.947 CCC(=O)N(C)CC(O)c1ccccc1 240690a_100000227976_100000210414 [0,2,0,0,0,0|2,0,0]=4 2019 B15R1.947 CCC(=O)N(C)CC(O)c1ccccc1 527a_100000227976_100000210414 [0,2,0,0,0,0|2,0,0]=4 2020 B15R1.947 CN(CC(O)c1ccccc1)C(=O)CO 240690a_100000227976_100000210174 [0,2,0,0,0,0|2,0,0]=4 2021 B15R1.947 CN(CC(O)c1ccccc1)C(=O)CO 527a_100000227976_100000210174 [0,2,0,0,0,0|2,0,0]=4 2022 B15R1.947 CNC(=O)C(=O)CC(C)c1ccccc1 1458a_100011218921_100000756946 [0,2,0,0,0,0|2,0,0]=4 2023 B15R1.947 CNC(=O)C(=O)CC(O)c1ccccc1 1458a_100011218921_100000185958 [0,2,0,0,0,0|1,0,0]=3 2024 B15R1.947 CNC(=O)C(=O)C[C@@H](O)c1ccccc1 1458a_100011218921_100011933945 [0,2,0,0,0,0|1,0,0]=3 2025 B15R1.947 CNC(=O)N(C)CC(O)c1ccccc1 2708a_100102657272_100000227976 [0,2,0,0,0,0|1,0,0]=3 2026 B15R1.947 CNC(=O)N(C)CC(O)c1ccccc1 273464a_100102657272_100000227976 [0,2,0,0,0,0|1,0,0]=3 2027 B15R1.950 CNC(=O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000183359 [0,2,0,0,0,0|1,0,1]=4 2028 B15R1.1094 CC(O)(CNC(=O)CO)c1ccccc1 527a_100011660926_100000210174 [0,2,0,0,0,0|2,0,0]=4 2029 B15R1.1094 CCC(=O)NCC(C)(O)c1ccccc1 527a_100011660926_100000210414 [0,2,0,0,0,0|2,0,0]=4 2030 B15R1.1094 CNC(=O)NCC(C)(C)c1ccccc1 2708a_100011211644_106832991635 [0,2,0,0,0,0|2,0,0]=4 2031 B15R1.1094 CNC(=O)NCC(C)(C)c1ccccc1 2708a_100102657272_100011211644 [0,2,0,0,0,0|2,0,0]=4 2032 B15R1.1094 CNC(=O)NCC(C)(C)c1ccccc1 273464a_100011211644_100102657272 [0,2,0,0,0,0|2,0,0]=4 2033 B15R1.1094 CNC(=O)NCC(C)(C)c1ccccc1 273464a_100102657272_100011211644 [0,2,0,0,0,0|2,0,0]=4 2034 B15R1.1094 CNC(=O)NCC(C)(C)c1ccccc1 512a_100011211644_100102657272 [0,2,0,0,0,0|2,0,0]=4 2035 B15R1.1094 CNC(=O)NCC(C)(C)c1ccccc1 512a_106832991638_100011211644 [0,2,0,0,0,0|2,0,0]=4 2036 B15R1.1094 CNC(=O)NCC(C)(O)c1ccccc1 2708a_100102657272_100011660926 [0,2,0,0,0,0|1,0,0]=3 2037 B15R1.1094 CNC(=O)NCC(C)(O)c1ccccc1 273464a_100102657272_100011660926 [0,2,0,0,0,0|1,0,0]=3 2038 B15R1.1094 CNC(=O)NCC(C)(O)c1ccccc1 512a_100011660926_100102657272 [0,2,0,0,0,0|1,0,0]=3 2039 B15R1.1094 CNC(=O)NCC(C)(O)c1ccccc1 512a_106832991638_100011660926 [0,2,0,0,0,0|1,0,0]=3 2040 B15R1.1094 CNC(=O)NCC(F)(F)c1ccccc1 2708a_100102657272_100000717977 [0,2,0,0,0,0|2,0,0]=4 2041 B15R1.1094 CNC(=O)NCC(F)(F)c1ccccc1 273464a_100102657272_100000717977 [0,2,0,0,0,0|2,0,0]=4 2042 B15R1.1094 CNC(=O)NCC(F)(F)c1ccccc1 512a_100000717977_100102657272 [0,2,0,0,0,0|2,0,0]=4 2043 B15R1.1094 CNC(=O)NCC(F)(F)c1ccccc1 512a_106832991638_100000717977 [0,2,0,0,0,0|2,0,0]=4 2044 B15R1.1097 CNC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000183359 [0,2,0,0,0,0|2,0,0]=4 2045 B15R1.1097 CNC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000183359 [0,2,0,0,0,0|2,0,0]=4 2046 B15R1.502 CC(C(=O)N)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000702099 [0,2,0,0,0,0|1,0,1]=4 2047 B15R1.502 NC(=O)C(F)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100009813875 [0,2,0,0,0,0|1,0,1]=4 2048 B15R1.523 CC(N[C@H](CO)c1ccccc1)C(=O)N 2230a_100000751927_100000702099 [0,2,0,0,0,0|2,0,0]=4 2049 B15R1.523 CC(N[C@H](CO)c1ccccc1)C(=O)N 34a_100000751927_100000702099 [0,2,0,0,0,0|2,0,0]=4 2050 B15R1.523 NC(=O)C(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100011215815 [0,2,0,0,0,0|2,0,0]=4 2051 B15R1.523 NC(=O)C(F)N[C@H](CO)c1ccccc1 2230a_100000751927_100009813875 [0,2,0,0,0,0|2,0,0]=4 2052 B15R1.523 NC(=O)C(F)N[C@H](CO)c1ccccc1 34a_100000751927_100009813875 [0,2,0,0,0,0|2,0,0]=4 2053 B15R1.881 CC(=O)N(C)CC(O)c1ccc(cc1)O 240690a_100016988945_100015343762 [0,2,0,0,0,0|2,0,0]=4 2054 B15R1.3674 CC(=O)N(C)CC(C)(O)c1ccccc1 240690a_100011660921_100015343762 [0,2,0,0,0,0|2,0,0]=4 2055 B15R1.3674 CC(=O)N(C)CC(C)(O)c1ccccc1 527a_100011660921_100103153847 [0,2,0,0,0,0|2,0,0]=4 2056 B15R1.880 CC(=O)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 240690a_200009830414_100015343762 [0,2,0,0,0,0|2,0,0]=4 2057 B15R1.880 CC(=O)N[C@H](C)[C@@H](O)c1ccc(cc1)Cl 527a_200009830414_100103153847 [0,2,0,0,0,0|2,0,0]=4 2058 B15R1.880 Cc1ccc(cc1)[C@@H](O)C(=O)CC(=O)N 1458a_100009815954_100000187820 [0,2,0,0,0,0|1,0,1]=4 2059 B15R1.880 NC(=O)CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000187820 [0,2,0,0,0,0|1,0,1]=4 2060 B15R1.880 NC(=O)CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000187820 [0,2,0,0,0,0|1,0,1]=4 2061 B15R1.880 NC(=O)CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000187820 [0,2,0,0,0,0|1,0,1]=4 2062 B15R1.880 NC(=O)CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000187820 [0,2,0,0,0,0|1,0,1]=4 2063 B15R1.1350 CO[C@@H](C(=O)CC(=O)N)c1ccccc1 1458a_100000698336_100000187820 [0,2,0,0,0,0|1,0,1]=4 2064 B15R1.1350 NC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000187820 [0,2,0,0,0,0|1,0,1]=4 2065 B15R1.1357 CC(=O)N[C@H](CO)[C@H](O)c1ccccc1 240690a_100000004308_100015343762 [0,2,0,0,0,0|2,0,0]=4 2066 B15R1.1357 CC(=O)N[C@H](CO)[C@H](O)c1ccccc1 527a_100000004308_100103153847 [0,2,0,0,0,0|2,0,0]=4 2067 B15R1.12173 C[C@](O)(C(=O)CC(=O)N)c1ccccc1 1458a_100000753667_100000187820 [0,2,0,0,0,0|1,0,1]=4 2068 B15R1.659 Cc1ccc(cc1)[C@H](CO)NCC(=O)N 2230a_100009818840_100000747473 [0,2,0,0,0,0|2,0,0]=4 2069 B15R1.659 Cc1ccc(cc1)[C@H](CO)NCC(=O)N 34a_100009818840_100000187820 [0,2,0,0,0,0|2,0,0]=4 2070 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000747473 [0,2,0,0,0,0|2,0,0]=4 2071 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)Br 34a_100000734186_100000187820 [0,2,0,0,0,0|2,0,0]=4 2072 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)F 2230a_100000705410_100000747473 [0,2,0,0,0,0|2,0,0]=4 2073 B15R1.659 NC(=O)CNC(CO)c1ccc(cc1)F 34a_100000705410_100000187820 [0,2,0,0,0,0|2,0,0]=4 2074 B15R1.659 NC(=O)CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000747473 [0,2,0,0,0,0|2,0,0]=4 2075 B15R1.659 NC(=O)CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000187820 [0,2,0,0,0,0|2,0,0]=4 2076 B15R1.1299 CC(=O)OCN(CCO)c1ccccc1 269982a_100000211345_100000076356 [0,2,0,0,0,0|2,0,0]=4 2077 B15R1.1299 CC(=O)OCN(CCO)c1ccccc1 34a_100000211345_100009813279 [0,2,0,0,0,0|2,0,0]=4 2078 B15R1.1299 COC[C@@H](NCC(=O)N)c1ccccc1 2230a_103619048568_100000747473 [0,2,0,0,0,0|2,0,0]=4 2079 B15R1.1299 COC[C@@H](NCC(=O)N)c1ccccc1 34a_103619048568_100000187820 [0,2,0,0,0,0|2,0,0]=4 2080 B15R1.1299 NC(=O)CCN(CCO)c1ccccc1 2230a_100000211345_100000744528 [0,2,0,0,0,0|2,0,0]=4 2081 B15R1.1299 NC(=O)CCN(CCO)c1ccccc1 269982a_100000211345_100000744528 [0,2,0,0,0,0|2,0,0]=4 2082 B15R1.1299 NC(=O)CCN(CCO)c1ccccc1 34a_100000211345_100000731001 [0,2,0,0,0,0|2,0,0]=4 2083 B15R1.1299 NC(=O)CN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000747473 [0,2,0,0,0,0|2,0,0]=4 2084 B15R1.12293 CC(=O)OCC(C(=O)C)c1ccccc1 1458a_200010206951_200000210301 [0,2,0,0,0,0|1,0,1]=4 2085 B15R1.12293 CC(=O)OCC(C(=O)[13CH3])c1ccccc1 1458a_200010206951_200025704644 [0,2,0,0,0,0|1,0,1]=4 2086 B15R1.12293 C[C@H](O)[C@@H](NCC(=O)N)c1ccccc1 2230a_100134616770_100000747473 [0,2,0,0,0,0|2,0,0]=4 2087 B15R1.12293 NC(=O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000187820 [0,2,0,0,0,0|2,0,0]=4 2088 B15R1.5 COc1ccc(cc1)C(O)CNC(=O)C 240690a_100000738651_100015343762 [0,2,0,0,0,0|2,0,0]=4 2089 B15R1.5 COc1ccc(cc1)C(O)CNC(=O)C 527a_100000738651_100103153847 [0,2,0,0,0,0|2,0,0]=4 2090 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [1,0,0,1,0,0|2,0,0]=4 2091 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [1,0,0,1,0,0|2,0,0]=4 2092 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [1,0,0,1,0,0|2,0,0]=4 2093 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [1,0,0,1,0,0|2,0,0]=4 2094 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,1,1,0|0,0,2]=4 2095 B15R2.1226 NC(=O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000747473 [0,0,0,1,0,1|2,0,0]=4 2096 B15R2.1226 NC(=O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000187820 [0,0,0,1,0,1|2,0,0]=4 2097 B15R2.68818 CC(=O)OCSC1Cc2c1cccc2 62a_100000076356_100009813401 [0,0,0,1,0,1|2,0,0]=4 2098 B15R2.68818 CC(=O)OCSC1Cc2c1cccc2 62a_100009813401_100000076356 [0,0,0,1,0,1|2,0,0]=4 2099 B15R2.68818 NC(=O)CCOC1Cc2c1cccc2 7a_100000757172_100009813401 [0,0,0,1,0,1|2,0,0]=4 2100 B15R2.68818 NC(=O)CCSC1Cc2c1cccc2 62a_100000744528_100009813401 [0,0,0,1,0,1|2,0,0]=4 2101 B15R2.68818 NC(=O)CCSC1Cc2c1cccc2 62a_100009813401_100000744528 [0,0,0,1,0,1|2,0,0]=4 2102 B15R2.68818 NC(=O)COCC1Cc2c1cccc2 34a_100012476685_100000187820 [0,0,0,1,0,1|1,0,0]=3 2103 B15R2.68818 NC(=O)COCC1Cc2c1cccc2 7a_100012476685_100000187820 [0,0,0,1,0,1|1,0,0]=3 2104 B15R2.68818 O=C([O-])COCC1Cc2c1cccc2 34a_100012476685_100020667443 [0,0,0,1,0,1|2,0,0]=4 2105 B15R2.993 CC(=O)N[C@H]1c2ccccc2C[C@H]1O 11a_100000744645_100015343762 [0,0,0,1,0,1|2,0,0]=4 2106 B15R2.993 CC(=O)N[C@H]1c2ccccc2C[C@H]1O 240690a_100000744645_100015343762 [0,0,0,1,0,1|2,0,0]=4 2107 B15R2.993 CC(=O)N[C@H]1c2ccccc2C[C@H]1O 527a_100000744645_100103153847 [0,0,0,1,0,1|2,0,0]=4 2108 B15R2.1660 CC(=O)NCC1Cc2ccccc2O1 11a_100015207006_100015343762 [0,0,0,1,0,1|2,0,0]=4 2109 B15R2.1660 CC(=O)NCC1Cc2ccccc2O1 1626a_100015207006_100015343762 [0,0,0,1,0,1|2,0,0]=4 2110 B15R2.1660 CC(=O)NCC1Cc2ccccc2O1 240690a_100015207006_100015343762 [0,0,0,1,0,1|2,0,0]=4 2111 B15R2.1660 CC(=O)NCC1Cc2ccccc2O1 527a_100015207006_100103153847 [0,0,0,1,0,1|2,0,0]=4 2112 B15R2.6 NC(=O)CNC1COc2c1cccc2 2230a_100000747519_100000747473 [0,1,0,1,0,0|2,0,0]=4 2113 B15R2.1596 CNC(=O)C1CC(C1)c2ccccc2 11a_106832991635_100000746226 [0,1,0,1,0,0|2,0,0]=4 2114 B15R2.1596 CNC(=O)C1CC(C1)c2ccccc2 1626a_100102657272_100000746226 [0,1,0,1,0,0|2,0,0]=4 2115 B15R2.1596 CNC(=O)C1CC(C1)c2ccccc2 240690a_100102657272_100000746226 [0,1,0,1,0,0|2,0,0]=4 2116 B15R2.1596 CNC(=O)C1CC(C1)c2ccccc2 527a_100102657272_100000746226 [0,1,0,1,0,0|2,0,0]=4 2117 B15R2.1621 CNC(=O)N[C@H]1C[C@@H]1c2ccccc2 2708a_100020588832_106832991635 [0,1,0,1,0,0|2,0,0]=4 2118 B15R2.1621 CNC(=O)N[C@H]1C[C@@H]1c2ccccc2 2708a_100102657272_100020588832 [0,1,0,1,0,0|2,0,0]=4 2119 B15R2.1621 CNC(=O)N[C@H]1C[C@@H]1c2ccccc2 273464a_100020588832_100102657272 [0,1,0,1,0,0|2,0,0]=4 2120 B15R2.1621 CNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_100020588832_100102657272 [0,1,0,1,0,0|2,0,0]=4 2121 B15R2.1621 CNC(=O)N[C@H]1C[C@@H]1c2ccccc2 512a_106832991638_100020588832 [0,1,0,1,0,0|2,0,0]=4 2122 B15R2.16130 CC(=O)N1CC(C1)(O)c2ccccc2 11a_100000717221_100015343762 [0,1,0,1,0,0|2,0,0]=4 2123 B15R2.16130 CC(=O)N1CC(C1)(O)c2ccccc2 240690a_100000717221_100015343762 [0,1,0,1,0,0|2,0,0]=4 2124 B15R2.16130 CC(=O)N1CC(C1)(O)c2ccccc2 527a_100000717221_100103153847 [0,1,0,1,0,0|2,0,0]=4 2125 B15R2.389 CN1CC(=O)OC[C@@H]1c2ccccc2 2230a_100000005368_200000210301 [0,1,0,1,0,0|2,0,0]=4 2126 B15R2.389 CN1CC(=O)OC[C@@H]1c2ccccc2 269982a_100000005368_200000210301 [0,1,0,1,0,0|2,0,0]=4 2127 B15R2.389 [13CH3]N1CC(=O)OC[C@@H]1c2ccccc2 2230a_100000005368_200025704644 [0,1,0,1,0,0|2,0,0]=4 2128 B15R2.389 [13CH3]N1CC(=O)OC[C@@H]1c2ccccc2 269982a_100000005368_200025704644 [0,1,0,1,0,0|2,0,0]=4 2129 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,1,0|1,0,0]=3 2130 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,1,0|1,0,0]=3 2131 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,1,0|2,0,0]=4 2132 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,1,0|2,0,0]=4 2133 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,1,0|2,0,0]=4 2134 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,1,0|2,0,0]=4 2135 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,1,0|2,0,0]=4 2136 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,1,0|2,0,0]=4 2137 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,1,0|2,0,0]=4 2138 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,1,0|2,0,0]=4 2139 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,1,0|2,0,0]=4 2140 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,1,0|2,0,0]=4 2141 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,1,0|2,0,0]=4 2142 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,1,0|2,0,0]=4 2143 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,1,0|1,0,0]=3 2144 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,1,0|1,0,0]=3 2145 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,1,0|1,0,0]=3 2146 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [1,0,0,0,1,0|2,0,0]=4 2147 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [1,0,0,0,1,0|2,0,0]=4 2148 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [1,0,0,0,1,0|2,0,0]=4 2149 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,1,0|1,0,0]=3 2150 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,1,0|1,0,0]=3 2151 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [1,0,0,0,1,0|2,0,0]=4 2152 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [1,0,0,0,1,0|2,0,0]=4 2153 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [1,0,0,0,1,0|2,0,0]=4 2154 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [1,0,0,0,1,0|2,0,0]=4 2155 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [1,0,0,0,1,0|2,0,0]=4 2156 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [1,0,0,0,1,0|2,0,0]=4 2157 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,1,0|2,0,0]=4 2158 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,1,0|2,0,0]=4 2159 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,1,0|2,0,0]=4 2160 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,1,0|2,0,0]=4 2161 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,1,0|1,0,0]=3 2162 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,1,0|2,0,0]=4 2163 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,1,0|2,0,0]=4 2164 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,1,0|2,0,0]=4 2165 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,1,0|2,0,0]=4 2166 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,1,0|2,0,0]=4 2167 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,0,0,0,2,0|2,0,0]=4 2168 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,0,0,0,2,0|2,0,0]=4 2169 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,0,0,0,2,0|2,0,0]=4 2170 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,0,0,2,0|1,0,0]=3 2171 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,0,0,0,2,0|2,0,0]=4 2172 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,0,0,0,2,0|2,0,0]=4 2173 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,0,0,2,0|1,0,0]=3 2174 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [1,0,0,0,0,1|1,0,1]=4 2175 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [1,0,0,0,0,1|2,0,0]=4 2176 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [1,0,0,0,0,1|2,0,0]=4 2177 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [1,0,0,0,0,1|2,0,0]=4 2178 B13R1.337 C=C(F)COCCc1ccccc1 34a_100000210268_100009893438 [1,0,0,0,0,1|2,0,0]=4 2179 B13R1.337 C=C(F)COCCc1ccccc1 34a_200010262243_100000765856 [1,0,0,0,0,1|2,0,0]=4 2180 B13R1.337 C=C(F)COCCc1ccccc1 7a_100000210268_100000042424 [1,0,0,0,0,1|2,0,0]=4 2181 B13R1.337 CC(=O)C=CCCc1ccccc1 1458a_100016484021_200000210301 [1,0,0,0,0,1|2,0,0]=4 2182 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [1,0,0,0,0,1|2,0,0]=4 2183 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [1,0,0,0,0,1|2,0,0]=4 2184 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [1,0,0,0,0,1|2,0,0]=4 2185 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [1,0,0,0,0,1|2,0,0]=4 2186 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [1,0,0,0,0,1|2,0,0]=4 2187 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [1,0,0,0,0,1|2,0,0]=4 2188 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [1,0,0,0,0,1|2,0,0]=4 2189 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [1,0,0,0,0,1|2,0,0]=4 2190 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [1,0,0,0,0,1|2,0,0]=4 2191 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [1,0,0,0,0,1|2,0,0]=4 2192 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [1,0,0,0,0,1|2,0,0]=4 2193 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [1,0,0,0,0,1|2,0,0]=4 2194 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [1,0,0,0,0,1|2,0,0]=4 2195 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [1,0,0,0,0,1|2,0,0]=4 2196 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [1,0,0,0,0,1|2,0,0]=4 2197 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [1,0,0,0,0,1|2,0,0]=4 2198 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [1,0,0,0,0,1|2,0,0]=4 2199 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [1,0,0,0,0,1|2,0,0]=4 2200 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [1,0,0,0,0,1|2,0,0]=4 2201 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [1,0,0,0,0,1|2,0,0]=4 2202 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [1,0,0,0,0,1|1,0,0]=3 2203 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [1,0,0,0,0,1|2,0,0]=4 2204 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [1,0,0,0,0,1|2,0,0]=4 2205 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [1,0,0,0,0,1|2,0,0]=4 2206 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [1,0,0,0,0,1|2,0,0]=4 2207 B13R1.337 CC(=O)NCCOc1ccccc1 11a_100000174943_100015343762 [1,0,0,0,0,1|2,0,0]=4 2208 B13R1.337 CC(=O)NCCOc1ccccc1 1626a_100000174943_100015343762 [1,0,0,0,0,1|2,0,0]=4 2209 B13R1.337 CC(=O)NCCOc1ccccc1 240690a_100000174943_100015343762 [1,0,0,0,0,1|2,0,0]=4 2210 B13R1.337 CC(=O)NCCOc1ccccc1 527a_100000174943_100103153847 [1,0,0,0,0,1|2,0,0]=4 2211 B13R1.337 CC(=O)NCCOc1ccccc1 7a_100000210340_100000189650 [1,0,0,0,0,1|2,0,0]=4 2212 B13R1.337 CC(=O)NCCSc1ccccc1 240690a_100000189519_100015343762 [1,0,0,0,0,1|2,0,0]=4 2213 B13R1.337 CC(=O)NCCSc1ccccc1 527a_100000189519_100103153847 [1,0,0,0,0,1|2,0,0]=4 2214 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000189650_100000041952 [1,0,0,0,0,1|2,0,0]=4 2215 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000719477_100000189650 [1,0,0,0,0,1|2,0,0]=4 2216 B13R1.337 CC(=O)NNCCc1ccccc1 22a_100000740470_100000070787 [1,0,0,0,0,1|2,0,0]=4 2217 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [1,0,0,0,0,1|1,0,1]=4 2218 B13R1.337 CC(=O)OCCNc1ccccc1 34a_100000106764_100009814007 [1,0,0,0,0,1|1,0,0]=3 2219 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [1,0,0,0,0,1|1,0,0]=3 2220 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [1,0,0,0,0,1|1,0,0]=3 2221 B13R1.337 CC(=O)OCCOc1cccnc1 34a_100000210849_100009814007 [1,0,0,0,0,1|2,0,0]=4 2222 B13R1.337 CC(=O)OCCOc1cccnc1 7a_100000210849_100009814007 [1,0,0,0,0,1|2,0,0]=4 2223 B13R1.337 CC(=O)OCCOc1ccncc1 34a_100000212176_100009814007 [1,0,0,0,0,1|2,0,0]=4 2224 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100000719477_100009814007 [1,0,0,0,0,1|1,0,0]=3 2225 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100009814007_100000041952 [1,0,0,0,0,1|1,0,0]=3 2226 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100009814007_100011216584 [1,0,0,0,0,1|2,0,0]=4 2227 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100011216584_100009814007 [1,0,0,0,0,1|2,0,0]=4 2228 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100000210063_100009814007 [1,0,0,0,0,1|2,0,0]=4 2229 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100009814007_100000210063 [1,0,0,0,0,1|2,0,0]=4 2230 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100000728582_100009814007 [1,0,0,0,0,1|2,0,0]=4 2231 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100009814007_100000728582 [1,0,0,0,0,1|2,0,0]=4 2232 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [1,0,0,0,0,1|1,0,0]=3 2233 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [1,0,0,0,0,1|1,0,0]=3 2234 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [1,0,0,0,0,1|1,0,0]=3 2235 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [1,0,0,0,0,1|1,0,0]=3 2236 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000076356_100000721315 [1,0,0,0,0,1|2,0,0]=4 2237 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000721315_100000076356 [1,0,0,0,0,1|2,0,0]=4 2238 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000076356_100000741622 [1,0,0,0,0,1|2,0,0]=4 2239 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000741622_100000076356 [1,0,0,0,0,1|2,0,0]=4 2240 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100000076356_100015193705 [1,0,0,0,0,1|2,0,0]=4 2241 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100015193705_100000076356 [1,0,0,0,0,1|2,0,0]=4 2242 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [1,0,0,0,0,1|1,0,1]=4 2243 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [1,0,0,0,0,1|1,0,0]=3 2244 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [1,0,0,0,0,1|1,0,0]=3 2245 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [1,0,0,0,0,1|1,0,0]=3 2246 B13R1.337 NC(=O)CCCOc1cccnc1 34a_100000210849_100102525003 [1,0,0,0,0,1|2,0,0]=4 2247 B13R1.337 NC(=O)CCCOc1cccnc1 7a_100000210849_100102525003 [1,0,0,0,0,1|2,0,0]=4 2248 B13R1.337 NC(=O)CCCOc1ccncc1 34a_100000212176_100102525003 [1,0,0,0,0,1|2,0,0]=4 2249 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [1,0,0,0,0,1|1,0,0]=3 2250 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [1,0,0,0,0,1|1,0,0]=3 2251 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100011216584_100102525003 [1,0,0,0,0,1|2,0,0]=4 2252 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100102525003_100011216584 [1,0,0,0,0,1|2,0,0]=4 2253 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100000210063_100102525003 [1,0,0,0,0,1|2,0,0]=4 2254 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100102525003_100000210063 [1,0,0,0,0,1|2,0,0]=4 2255 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100000728582_100102525003 [1,0,0,0,0,1|2,0,0]=4 2256 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100102525003_100000728582 [1,0,0,0,0,1|2,0,0]=4 2257 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [1,0,0,0,0,1|1,0,0]=3 2258 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [1,0,0,0,0,1|1,0,0]=3 2259 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [1,0,0,0,0,1|1,0,0]=3 2260 B13R1.337 NC(=O)CCNCc1ccccn1 207a_100000740010_100000209966 [1,0,0,0,0,1|2,0,0]=4 2261 B13R1.337 NC(=O)CCNCc1cccnc1 207a_100000740010_100000209961 [1,0,0,0,0,1|2,0,0]=4 2262 B13R1.337 NC(=O)CCNCc1ccncc1 207a_100000740010_100000186114 [1,0,0,0,0,1|2,0,0]=4 2263 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [1,0,0,0,0,1|1,0,0]=3 2264 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [1,0,0,0,0,1|1,0,0]=3 2265 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [1,0,0,0,0,1|1,0,0]=3 2266 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [1,0,0,0,0,1|1,0,0]=3 2267 B13R1.337 NC(=O)CCOCc1ccccn1 34a_100000757172_100000721315 [1,0,0,0,0,1|2,0,0]=4 2268 B13R1.337 NC(=O)CCOCc1ccccn1 7a_100000757172_100000721315 [1,0,0,0,0,1|2,0,0]=4 2269 B13R1.337 NC(=O)CCOCc1cccnc1 34a_100000757172_100000733263 [1,0,0,0,0,1|2,0,0]=4 2270 B13R1.337 NC(=O)CCOCc1cccnc1 7a_100000757172_100000741622 [1,0,0,0,0,1|2,0,0]=4 2271 B13R1.337 NC(=O)CCOCc1ccncc1 7a_100000757172_100015193705 [1,0,0,0,0,1|2,0,0]=4 2272 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [1,0,0,0,0,1|1,0,0]=3 2273 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [1,0,0,0,0,1|1,0,0]=3 2274 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000721315_100000744528 [1,0,0,0,0,1|2,0,0]=4 2275 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000744528_100000721315 [1,0,0,0,0,1|2,0,0]=4 2276 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000741622_100000744528 [1,0,0,0,0,1|2,0,0]=4 2277 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000744528_100000741622 [1,0,0,0,0,1|2,0,0]=4 2278 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100000744528_100015193705 [1,0,0,0,0,1|2,0,0]=4 2279 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100015193705_100000744528 [1,0,0,0,0,1|2,0,0]=4 2280 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [1,0,0,0,0,1|1,0,0]=3 2281 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [1,0,0,0,0,1|1,0,0]=3 2282 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [1,0,0,0,0,1|1,0,0]=3 2283 B13R1.337 NC(=O)CNCCc1ccccn1 2230a_100000711301_100015183660 [1,0,0,0,0,1|2,0,0]=4 2284 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000711301_200011713674 [1,0,0,0,0,1|2,0,0]=4 2285 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000736294_100000747473 [1,0,0,0,0,1|2,0,0]=4 2286 B13R1.337 NC(=O)CNCCc1ccncc1 2230a_100000711301_100000723409 [1,0,0,0,0,1|2,0,0]=4 2287 B13R1.337 NC(=O)CNCSc1ccccc1 2230a_100000711301_100011218342 [1,0,0,0,0,1|2,0,0]=4 2288 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [1,0,0,0,0,1|0,0,0]=2 2289 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [1,0,0,0,0,1|0,0,0]=2 2290 B13R1.337 NC(=O)COCCc1ccccn1 34a_100000210271_100000187820 [1,0,0,0,0,1|1,0,0]=3 2291 B13R1.337 NC(=O)COCCc1cccnc1 34a_100011217484_100000187820 [1,0,0,0,0,1|1,0,0]=3 2292 B13R1.337 NC(=O)COCCc1ccncc1 34a_100011216225_100000187820 [1,0,0,0,0,1|1,0,0]=3 2293 B13R1.337 NC(=O)COCCc1cnccn1 34a_100011349526_100000187820 [1,0,0,0,0,1|2,0,0]=4 2294 B13R1.337 NC(=O)COCCc1cncnc1 34a_100011709255_100000187820 [1,0,0,0,0,1|2,0,0]=4 2295 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [1,0,0,0,0,1|0,1,0]=3 2296 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [1,0,0,0,0,1|0,1,0]=3 2297 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100000747473_100015183660 [1,0,0,0,0,1|1,1,0]=4 2298 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100015183660_100000747473 [1,0,0,0,0,1|1,1,0]=4 2299 B13R1.337 NC(=O)CSCCc1cccnc1 62a_100000747473_200011713674 [1,0,0,0,0,1|1,1,0]=4 2300 B13R1.337 NC(=O)CSCCc1cccnc1 62a_200011713674_100000747473 [1,0,0,0,0,1|1,1,0]=4 2301 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000723409_100000747473 [1,0,0,0,0,1|1,1,0]=4 2302 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000747473_100000723409 [1,0,0,0,0,1|1,1,0]=4 2303 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100000747473_100011218342 [1,0,0,0,0,1|1,1,0]=4 2304 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100011218342_100000747473 [1,0,0,0,0,1|1,1,0]=4 2305 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [1,0,0,0,0,1|1,0,0]=3 2306 B13R1.337 NC(=O)NCCOc1cccnc1 7a_100000210849_200000034859 [1,0,0,0,0,1|2,0,0]=4 2307 B13R1.337 NC(=O)NCCSc1ccccc1 62a_100000719477_200000034859 [1,0,0,0,0,1|1,0,0]=3 2308 B13R1.337 NC(=O)NCCSc1ccccc1 62a_200000034859_100000041952 [1,0,0,0,0,1|1,0,0]=3 2309 B13R1.337 NC(=O)NCCSc1ccccn1 62a_100011216584_200000034859 [1,0,0,0,0,1|2,0,0]=4 2310 B13R1.337 NC(=O)NCCSc1ccccn1 62a_200000034859_100011216584 [1,0,0,0,0,1|2,0,0]=4 2311 B13R1.337 NC(=O)NCCSc1cccnc1 62a_100000210063_200000034859 [1,0,0,0,0,1|2,0,0]=4 2312 B13R1.337 NC(=O)NCCSc1cccnc1 62a_200000034859_100000210063 [1,0,0,0,0,1|2,0,0]=4 2313 B13R1.337 NC(=O)NCCSc1ccncc1 62a_100000728582_200000034859 [1,0,0,0,0,1|2,0,0]=4 2314 B13R1.337 NC(=O)NCCSc1ccncc1 62a_200000034859_100000728582 [1,0,0,0,0,1|2,0,0]=4 2315 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [1,0,0,0,0,1|0,0,0]=2 2316 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [1,0,0,0,0,1|0,0,0]=2 2317 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [1,0,0,0,0,1|0,0,0]=2 2318 B13R1.337 NC(=O)OCCOc1cccnc1 34a_100000210849_200011214921 [1,0,0,0,0,1|1,0,0]=3 2319 B13R1.337 NC(=O)OCCOc1cccnc1 7a_100000210849_200011214921 [1,0,0,0,0,1|1,0,0]=3 2320 B13R1.337 NC(=O)OCCOc1ccncc1 34a_100000212176_200011214921 [1,0,0,0,0,1|1,0,0]=3 2321 B13R1.337 NC(=O)OCCOc1ccnnc1 34a_100015204005_200011214921 [1,0,0,0,0,1|2,0,0]=4 2322 B13R1.337 NC(=O)OCCOc1cncnc1 7a_100000754086_200011214921 [1,0,0,0,0,1|2,0,0]=4 2323 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [1,0,0,0,0,1|0,0,0]=2 2324 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [1,0,0,0,0,1|0,0,0]=2 2325 B13R1.337 NC(=O)OCCSc1ccccn1 62a_100011216584_200011214921 [1,0,0,0,0,1|1,0,0]=3 2326 B13R1.337 NC(=O)OCCSc1ccccn1 62a_200011214921_100011216584 [1,0,0,0,0,1|1,0,0]=3 2327 B13R1.337 NC(=O)OCCSc1cccnc1 62a_100000210063_200011214921 [1,0,0,0,0,1|1,0,0]=3 2328 B13R1.337 NC(=O)OCCSc1cccnc1 62a_200011214921_100000210063 [1,0,0,0,0,1|1,0,0]=3 2329 B13R1.337 NC(=O)OCCSc1cccnn1 62a_100016991348_200011214921 [1,0,0,0,0,1|2,0,0]=4 2330 B13R1.337 NC(=O)OCCSc1cccnn1 62a_200011214921_100016991348 [1,0,0,0,0,1|2,0,0]=4 2331 B13R1.337 NC(=O)OCCSc1ccncc1 62a_100000728582_200011214921 [1,0,0,0,0,1|1,0,0]=3 2332 B13R1.337 NC(=O)OCCSc1ccncc1 62a_200011214921_100000728582 [1,0,0,0,0,1|1,0,0]=3 2333 B13R1.337 NC(=O)OCCSc1ccncn1 62a_100000703185_200011214921 [1,0,0,0,0,1|2,0,0]=4 2334 B13R1.337 NC(=O)OCCSc1ccncn1 62a_200011214921_100000703185 [1,0,0,0,0,1|2,0,0]=4 2335 B13R1.337 NC(=O)OCCSc1ccnnc1 62a_100000732662_200011214921 [1,0,0,0,0,1|2,0,0]=4 2336 B13R1.337 NC(=O)OCCSc1ccnnc1 62a_200011214921_100000732662 [1,0,0,0,0,1|2,0,0]=4 2337 B13R1.337 NC(=O)OCCSc1cnccn1 62a_100000211759_200011214921 [1,0,0,0,0,1|2,0,0]=4 2338 B13R1.337 NC(=O)OCCSc1cnccn1 62a_200011214921_100000211759 [1,0,0,0,0,1|2,0,0]=4 2339 B13R1.337 NC(=O)OCCSc1cncnc1 62a_100011206942_200011214921 [1,0,0,0,0,1|2,0,0]=4 2340 B13R1.337 NC(=O)OCCSc1cncnc1 62a_200011214921_100011206942 [1,0,0,0,0,1|2,0,0]=4 2341 B13R1.337 NC(=O)OCCSc1ncccn1 62a_100000211032_200011214921 [1,0,0,0,0,1|2,0,0]=4 2342 B13R1.337 NC(=O)OCCSc1ncccn1 62a_200011214921_100000211032 [1,0,0,0,0,1|2,0,0]=4 2343 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [1,0,0,0,0,1|2,0,0]=4 2344 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [1,0,0,0,0,1|2,0,0]=4 2345 B13R1.337 O=C([O-])CNCCc1ccccc1 34a_100000106460_100020667443 [1,0,0,0,0,1|2,0,0]=4 2346 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [1,0,0,0,0,1|1,0,0]=3 2347 B13R1.337 O=C([O-])COCCc1ccccn1 34a_100000210271_100020667443 [1,0,0,0,0,1|2,0,0]=4 2348 B13R1.337 O=C([O-])COCCc1cccnc1 34a_100011217484_100020667443 [1,0,0,0,0,1|2,0,0]=4 2349 B13R1.337 O=C([O-])COCCc1ccncc1 34a_100011216225_100020667443 [1,0,0,0,0,1|2,0,0]=4 2350 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100000765856_100020667443 [1,0,0,0,0,1|1,1,0]=4 2351 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100020667443_100011218657 [1,0,0,0,0,1|1,1,0]=4 2352 B13R1.337 O=[N+]([O-])COCCc1ccccc1 34a_100000210268_100000761209 [1,0,0,0,0,1|2,0,0]=4 2353 B13R1.337 [13CH3]C(=O)C=CCCc1ccccc1 1458a_100016484021_200025704644 [1,0,0,0,0,1|2,0,0]=4 2354 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [1,0,0,0,0,1|2,0,0]=4 2355 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [1,0,0,0,0,1|2,0,0]=4 2356 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [1,0,0,0,0,1|2,0,0]=4 2357 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [1,0,0,0,0,1|2,0,0]=4 2358 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [1,0,0,0,0,1|2,0,0]=4 2359 B13R1.342 NC(=O)CNCC(O)c1ccco1 2230a_100000738650_100000747473 [0,0,0,0,1,1|2,0,0]=4 2360 B13R1.342 NC(=O)CNCC(O)c1ccsc1 2230a_100000758718_100000747473 [0,0,0,0,1,1|2,0,0]=4 2361 B13R1.342 NC(=O)CNCC(O)c1ccsc1 34a_100000758718_100000187820 [0,0,0,0,1,1|2,0,0]=4 2362 B13R1.342 NC(=O)COCC(N)c1cccs1 34a_100102422791_100000187820 [0,0,0,0,1,1|2,0,0]=4 2363 B15R1.497 C=C(Br)CCOCC(O)c1ccccc1 34a_100009813270_100000185958 [0,0,0,0,0,2|2,0,0]=4 2364 B15R1.497 C=C(Br)CCOC[C@@H](O)c1ccccc1 34a_100009813270_100011933945 [0,0,0,0,0,2|2,0,0]=4 2365 B15R1.497 C=C(C)CCOCC(O)c1ccccc1 34a_100000764851_100000185958 [0,0,0,0,0,2|2,0,0]=4 2366 B15R1.497 C=C(C)CCOC[C@@H](O)c1ccccc1 34a_100000764851_100011933945 [0,0,0,0,0,2|2,0,0]=4 2367 B15R1.497 C=C(C)COCC[C@@H](O)c1ccccc1 34a_100000210245_100000729684 [0,0,0,0,0,2|2,0,0]=4 2368 B15R1.497 C=C(F)COCC[C@@H](O)c1ccccc1 34a_200010262243_100000729684 [0,0,0,0,0,2|2,0,0]=4 2369 B15R1.497 CC(=CCOCC(O)c1ccccc1)C 34a_100000753907_100000185958 [0,0,0,0,0,2|2,0,0]=4 2370 B15R1.497 CC(=CCOC[C@@H](O)c1ccccc1)C 34a_100000753907_100011933945 [0,0,0,0,0,2|2,0,0]=4 2371 B15R1.497 CC(=O)CCOCC(C)c1ccccc1 34a_100000759926_100000756946 [0,0,0,0,0,2|2,0,0]=4 2372 B15R1.497 CC(=O)CCOCC(C)c1ccccc1 7a_100000759926_100000756946 [0,0,0,0,0,2|2,0,0]=4 2373 B15R1.497 CC(=O)CCOCC(C)c1ccccc1 7a_100011215166_100000053229 [0,0,0,0,0,2|2,0,0]=4 2374 B15R1.497 CC(=O)CCOCC(O)c1ccccc1 34a_100000759926_100000185958 [0,0,0,0,0,2|1,0,0]=3 2375 B15R1.497 CC(=O)CCOCC(O)c1ccccc1 7a_100000759926_100000185958 [0,0,0,0,0,2|1,0,0]=3 2376 B15R1.497 CC(=O)CCOC[C@@H](O)c1ccccc1 34a_100000759926_100011933945 [0,0,0,0,0,2|1,0,0]=3 2377 B15R1.497 CC(=O)CCOC[C@@H](O)c1ccccc1 7a_100000759926_100011933945 [0,0,0,0,0,2|1,0,0]=3 2378 B15R1.497 CC(=O)CCSCC(O)c1ccccc1 62a_100000053229_100000185958 [0,0,0,0,0,2|1,1,0]=4 2379 B15R1.497 CC(=O)CCSCC(O)c1ccccc1 62a_100000185958_100000053229 [0,0,0,0,0,2|1,1,0]=4 2380 B15R1.497 CC(=O)CCSC[C@@H](O)c1ccccc1 62a_100000053229_100011933945 [0,0,0,0,0,2|1,1,0]=4 2381 B15R1.497 CC(=O)CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000053229 [0,0,0,0,0,2|1,1,0]=4 2382 B15R1.497 CC(=O)COCC[C@@H](O)c1ccccc1 34a_100000211253_100000729684 [0,0,0,0,0,2|1,0,0]=3 2383 B15R1.497 CC(=O)OCCO[C@H](C)c1ccccc1 34a_100000761318_100009814007 [0,0,0,0,0,2|2,0,0]=4 2384 B15R1.497 CC(=O)OCCO[C@H](C)c1ccccc1 7a_100000761318_100009814007 [0,0,0,0,0,2|2,0,0]=4 2385 B15R1.497 CC(=O)OCCSC(C)c1ccccc1 62a_100000230085_100009814007 [0,0,0,0,0,2|2,0,0]=4 2386 B15R1.497 CC(=O)OCCSC(C)c1ccccc1 62a_100009814007_100000230085 [0,0,0,0,0,2|2,0,0]=4 2387 B15R1.497 CC(=O)OCNCC(C)c1ccccc1 34a_100000701038_100009813279 [0,0,0,0,0,2|2,0,0]=4 2388 B15R1.497 CC(=O)OCOCC(C)c1ccccc1 34a_100011215166_100009813279 [0,0,0,0,0,2|2,0,0]=4 2389 B15R1.497 CC(=O)OCOC[C@@H](N)c1ccccc1 34a_100000751927_100009813279 [0,0,0,0,0,2|2,0,0]=4 2390 B15R1.497 CC(=O)OCSCC(C)c1ccccc1 62a_100000076356_100000756946 [0,0,0,0,0,2|2,0,0]=4 2391 B15R1.497 CC(=O)OCSCC(C)c1ccccc1 62a_100000756946_100000076356 [0,0,0,0,0,2|2,0,0]=4 2392 B15R1.497 CC(=O)OCSCC(O)c1ccccc1 62a_100000076356_100000185958 [0,0,0,0,0,2|1,0,0]=3 2393 B15R1.497 CC(=O)OCSCC(O)c1ccccc1 62a_100000185958_100000076356 [0,0,0,0,0,2|1,0,0]=3 2394 B15R1.497 CC(=O)OCSC[C@@H](O)c1ccccc1 62a_100000076356_100011933945 [0,0,0,0,0,2|1,0,0]=3 2395 B15R1.497 CC(=O)OCSC[C@@H](O)c1ccccc1 62a_100011933945_100000076356 [0,0,0,0,0,2|1,0,0]=3 2396 B15R1.497 CC(CNCCC(=O)N)c1ccccc1 2230a_100000701038_100000744528 [0,0,0,0,0,2|2,0,0]=4 2397 B15R1.497 CC(CNCCC(=O)N)c1ccccc1 34a_100000701038_100000731001 [0,0,0,0,0,2|2,0,0]=4 2398 B15R1.497 CC(CNOCC(=O)O)c1ccccc1 269956a_100000106656_100000756946 [0,0,0,0,0,2|2,0,0]=4 2399 B15R1.497 CC(COCCC(=O)N)c1ccccc1 34a_100000757172_100000756946 [0,0,0,0,0,2|1,0,0]=3 2400 B15R1.497 CC(COCCC(=O)N)c1ccccc1 34a_100011215166_100000731001 [0,0,0,0,0,2|1,0,0]=3 2401 B15R1.497 CC(COCCC(=O)N)c1ccccc1 7a_100000757172_100000756946 [0,0,0,0,0,2|1,0,0]=3 2402 B15R1.497 CC(COCCC(=O)N)c1ccccc1 7a_100011215166_100000744528 [0,0,0,0,0,2|1,0,0]=3 2403 B15R1.497 CC(CSCCC(=O)N)c1ccccc1 62a_100000744528_100000756946 [0,0,0,0,0,2|1,1,0]=4 2404 B15R1.497 CC(CSCCC(=O)N)c1ccccc1 62a_100000756946_100000744528 [0,0,0,0,0,2|1,1,0]=4 2405 B15R1.497 CC(NCCCC(=O)N)c1ccccc1 269862a_100000739312_100000185851 [0,0,0,0,0,2|2,0,0]=4 2406 B15R1.497 CC(NCCCC(=O)N)c1ccccc1 34a_100000739312_100000211855 [0,0,0,0,0,2|2,0,0]=4 2407 B15R1.497 CC(NCCNC(=O)N)c1ccccc1 269862a_100020590234_100000185851 [0,0,0,0,0,2|2,0,0]=4 2408 B15R1.497 CC(NCCNC(=O)N)c1ccccc1 34a_100020590234_100000211855 [0,0,0,0,0,2|2,0,0]=4 2409 B15R1.497 CC(OCCNC(=O)N)c1ccccc1 34a_100000181757_100000211855 [0,0,0,0,0,2|2,0,0]=4 2410 B15R1.497 CC(OCCOC(=O)N)c1ccccc1 7a_100000766696_100000230085 [0,0,0,0,0,2|1,0,0]=3 2411 B15R1.497 CC(SCCCC(=O)N)c1ccccc1 62a_100000230085_100102525003 [0,0,0,0,0,2|2,0,0]=4 2412 B15R1.497 CC(SCCCC(=O)N)c1ccccc1 62a_100102525003_100000230085 [0,0,0,0,0,2|2,0,0]=4 2413 B15R1.497 CC(SCCNC(=O)N)c1ccccc1 62a_100000230085_200000034859 [0,0,0,0,0,2|2,0,0]=4 2414 B15R1.497 CC(SCCNC(=O)N)c1ccccc1 62a_200000034859_100000230085 [0,0,0,0,0,2|2,0,0]=4 2415 B15R1.497 CC(SCCOC(=O)N)c1ccccc1 62a_100000230085_200011214921 [0,0,0,0,0,2|1,0,0]=3 2416 B15R1.497 CC(SCCOC(=O)N)c1ccccc1 62a_200011214921_100000230085 [0,0,0,0,0,2|1,0,0]=3 2417 B15R1.497 CN(CCOCC(=O)N)c1ccccc1 2230a_100000210012_100000076697 [0,0,0,0,0,2|2,0,0]=4 2418 B15R1.497 CN(CCOCC(=O)N)c1ccccc1 269982a_100000210012_100000076697 [0,0,0,0,0,2|2,0,0]=4 2419 B15R1.497 CN(CCOCC(=O)N)c1ccccc1 34a_100000210012_100000076697 [0,0,0,0,0,2|2,0,0]=4 2420 B15R1.497 C[C@@H](N)CCOCC(O)c1ccccc1 34a_100000706166_100000185958 [0,0,0,0,0,2|1,0,1]=4 2421 B15R1.497 C[C@@H](N)CCOC[C@@H](O)c1ccccc1 34a_100000706166_100011933945 [0,0,0,0,0,2|1,0,1]=4 2422 B15R1.497 C[C@@H](N)COCC[C@@H](O)c1ccccc1 34a_100000737577_100000729684 [0,0,0,0,0,2|1,0,1]=4 2423 B15R1.497 C[C@@H](NCCNC(=O)N)c1ccccc1 2230a_100000751104_200000034859 [0,0,0,0,0,2|2,0,0]=4 2424 B15R1.497 C[C@@H](OCCCC(=O)N)c1ccccc1 34a_100000761318_100102525003 [0,0,0,0,0,2|2,0,0]=4 2425 B15R1.497 C[C@@H](OCCCC(=O)N)c1ccccc1 7a_100000761318_100102525003 [0,0,0,0,0,2|2,0,0]=4 2426 B15R1.497 C[C@@H](OCCNC(=O)N)c1ccccc1 7a_100000761318_200000034859 [0,0,0,0,0,2|2,0,0]=4 2427 B15R1.497 C[C@@H](OCCOC(=O)N)c1ccccc1 34a_100000761318_200011214921 [0,0,0,0,0,2|1,0,0]=3 2428 B15R1.497 C[C@@H](OCCOC(=O)N)c1ccccc1 7a_100000761318_200011214921 [0,0,0,0,0,2|1,0,0]=3 2429 B15R1.497 NC(=O)CCNCC(O)c1ccccc1 2230a_100000210709_100000744528 [0,0,0,0,0,2|1,0,0]=3 2430 B15R1.497 NC(=O)CCNCC(O)c1ccccn1 2230a_100000691469_100000744528 [0,0,0,0,0,2|2,0,0]=4 2431 B15R1.497 NC(=O)CCNCC(O)c1cccnc1 2230a_100020605170_100000744528 [0,0,0,0,0,2|2,0,0]=4 2432 B15R1.497 NC(=O)CCOCC(=O)c1ccccc1 7a_100000757172_100000211460 [0,0,0,0,0,2|0,0,2]=4 2433 B15R1.497 NC(=O)CCOCC(O)c1ccccc1 34a_100000757172_100000185958 [0,0,0,0,0,2|0,0,0]=2 2434 B15R1.497 NC(=O)CCOCC(O)c1ccccc1 7a_100000757172_100000185958 [0,0,0,0,0,2|0,0,0]=2 2435 B15R1.497 NC(=O)CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000731001 [0,0,0,0,0,2|1,0,0]=3 2436 B15R1.497 NC(=O)CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000731001 [0,0,0,0,0,2|2,0,0]=4 2437 B15R1.497 NC(=O)CCOC[C@@H](O)c1ccccc1 34a_100000757172_100011933945 [0,0,0,0,0,2|0,0,0]=2 2438 B15R1.497 NC(=O)CCOC[C@@H](O)c1ccccc1 7a_100000757172_100011933945 [0,0,0,0,0,2|0,0,0]=2 2439 B15R1.497 NC(=O)CCSCC(O)c1ccccc1 62a_100000185958_100000744528 [0,0,0,0,0,2|0,1,0]=3 2440 B15R1.497 NC(=O)CCSCC(O)c1ccccc1 62a_100000744528_100000185958 [0,0,0,0,0,2|0,1,0]=3 2441 B15R1.497 NC(=O)CCSC[C@@H](O)c1ccccc1 62a_100000744528_100011933945 [0,0,0,0,0,2|0,1,0]=3 2442 B15R1.497 NC(=O)CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000744528 [0,0,0,0,0,2|0,1,0]=3 2443 B15R1.497 NC(=O)CNCCC(O)c1ccccc1 2230a_100000763605_100000747473 [0,0,0,0,0,2|1,0,0]=3 2444 B15R1.497 NC(=O)CNCC[C@@H](O)c1ccccc1 2230a_100000711301_100000729684 [0,0,0,0,0,2|1,0,0]=3 2445 B15R1.497 NC(=O)COCCC(=O)c1ccccc1 1458a_100000185807_100000076697 [0,0,0,0,0,2|0,0,2]=4 2446 B15R1.497 NC(=O)COCC[C@H](N)c1ccccc1 34a_100025705951_100000187820 [0,0,0,0,0,2|1,0,0]=3 2447 B15R1.497 NC(=O)CSCC[C@@H](O)c1ccccc1 62a_100000729684_100000747473 [0,0,0,0,0,2|0,1,0]=3 2448 B15R1.497 NC(=O)CSCC[C@@H](O)c1ccccc1 62a_100000747473_100000729684 [0,0,0,0,0,2|0,1,0]=3 2449 B15R1.497 N[C@@H](CCOCC(=O)[O-])c1ccccc1 34a_100025705951_100020667443 [0,0,0,0,0,2|2,0,0]=4 2450 B15R1.497 O=C(O)CNCC[C@@H](O)c1ccccc1 269956a_100016091260_100000729684 [0,0,0,0,0,2|2,0,0]=4 2451 B15R1.497 O=C(O)CONCC(O)c1ccccc1 269956a_100000106656_100000185958 [0,0,0,0,0,2|1,0,0]=3 2452 B15R1.497 O=C(O)CONC[C@@H](O)c1ccccc1 269956a_100000106656_100011933945 [0,0,0,0,0,2|1,0,0]=3 2453 B15R1.497 O=C([O-])CSCC[C@@H](O)c1ccccc1 62a_100000729684_100020667443 [0,0,0,0,0,2|1,1,0]=4 2454 B15R1.497 O=C([O-])CSCC[C@@H](O)c1ccccc1 62a_100020667443_100000729684 [0,0,0,0,0,2|1,1,0]=4 2455 B15R1.1081 C/C(=C\c1ccccc1)/COCC(=O)N 34a_200025717232_100000187820 [0,0,0,0,0,2|1,0,1]=4 2456 B15R1.1081 C/C(=C\c1ccccc1)/COCC(=O)N 7a_200025717232_100000187820 [0,0,0,0,0,2|1,0,1]=4 2457 B15R1.1081 C=C(C)COC[C@@H](O)Cc1ccccc1 34a_100000210245_100000729385 [0,0,0,0,0,2|2,0,0]=4 2458 B15R1.1081 C=C(F)COC[C@@H](O)Cc1ccccc1 34a_200010262243_100000729385 [0,0,0,0,0,2|2,0,0]=4 2459 B15R1.1081 CC(=O)COC[C@@H](O)Cc1ccccc1 34a_100000211253_100000729385 [0,0,0,0,0,2|1,0,0]=3 2460 B15R1.1081 CC(=O)OCOC(C)Cc1ccccc1 34a_100000748627_100009813279 [0,0,0,0,0,2|2,0,0]=4 2461 B15R1.1081 CC(=O)OCSC(C)Cc1ccccc1 62a_100000076356_200011218536 [0,0,0,0,0,2|2,0,0]=4 2462 B15R1.1081 CC(=O)OCSC(C)Cc1ccccc1 62a_200011218536_100000076356 [0,0,0,0,0,2|2,0,0]=4 2463 B15R1.1081 CC(CNCC(=O)N)Oc1ccccc1 2230a_100000755676_100000747473 [0,0,0,0,0,2|2,0,0]=4 2464 B15R1.1081 CC(CNCC(=O)N)Oc1ccccc1 34a_100000755676_100000187820 [0,0,0,0,0,2|2,0,0]=4 2465 B15R1.1081 CC(COCC(=O)N)Cc1ccccc1 34a_100012125295_100000187820 [0,0,0,0,0,2|1,0,0]=3 2466 B15R1.1081 CC(COCC(=O)N)Cc1ccccc1 7a_100012125295_100000187820 [0,0,0,0,0,2|1,0,0]=3 2467 B15R1.1081 CC(COCC(=O)N)Oc1ccccc1 34a_200000036796_100000187820 [0,0,0,0,0,2|1,0,0]=3 2468 B15R1.1081 CC(COCC(=O)N)Oc1ccccc1 7a_200000036796_100000187820 [0,0,0,0,0,2|1,0,0]=3 2469 B15R1.1081 CC(COCC(=O)[O-])Cc1ccccc1 34a_100012125295_100020667443 [0,0,0,0,0,2|2,0,0]=4 2470 B15R1.1081 CC(COCC(=O)[O-])Oc1ccccc1 34a_200000036796_100020667443 [0,0,0,0,0,2|2,0,0]=4 2471 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 34a_100000748627_100000731001 [0,0,0,0,0,2|2,0,0]=4 2472 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 34a_100000757172_200011218536 [0,0,0,0,0,2|2,0,0]=4 2473 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 7a_100000748627_100000744528 [0,0,0,0,0,2|2,0,0]=4 2474 B15R1.1081 CC(Cc1ccccc1)OCCC(=O)N 7a_100000757172_200011218536 [0,0,0,0,0,2|2,0,0]=4 2475 B15R1.1081 CC(Cc1ccccc1)SCCC(=O)N 62a_100000744528_200011218536 [0,0,0,0,0,2|2,0,0]=4 2476 B15R1.1081 CC(Cc1ccccc1)SCCC(=O)N 62a_200011218536_100000744528 [0,0,0,0,0,2|2,0,0]=4 2477 B15R1.1081 CN(CCOC(=O)N)Cc1ccccc1 269982a_100000186898_200011214921 [0,0,0,0,0,2|2,0,0]=4 2478 B15R1.1081 C[C@@H](N)COC[C@@H](O)Cc1ccccc1 34a_100000737577_100000729385 [0,0,0,0,0,2|1,0,1]=4 2479 B15R1.1081 NC(=O)CNCC(O)Cc1ccccc1 2230a_100000752270_100000747473 [0,0,0,0,0,2|1,0,0]=3 2480 B15R1.1081 NC(=O)CNC[C@@H](O)Cc1ccccc1 2230a_100000711301_100000729385 [0,0,0,0,0,2|1,0,0]=3 2481 B15R1.1081 NC(=O)COCC(=O)Cc1ccccc1 1458a_100011219004_100015291786 [0,0,0,0,0,2|0,0,2]=4 2482 B15R1.1081 NC(=O)COCC(=O)Nc1ccccc1 1626a_100000106764_100011219004 [0,0,0,0,0,2|0,0,2]=4 2483 B15R1.1081 NC(=O)COCC(=O)Nc1ccccc1 22a_100000106764_100011219004 [0,0,0,0,0,2|0,0,2]=4 2484 B15R1.1081 NC(=O)COCC(=O)Nc1ccccc1 34a_100000246334_100000187820 [0,0,0,0,0,2|0,0,2]=4 2485 B15R1.1081 NC(=O)COCC(=O)Nc1ccccc1 527a_100000106764_100011219004 [0,0,0,0,0,2|0,0,2]=4 2486 B15R1.1081 NC(=O)COCC(N)Cc1ccccc1 34a_100000739027_100000187820 [0,0,0,0,0,2|1,0,0]=3 2487 B15R1.1081 NC(=O)CSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000747473 [0,0,0,0,0,2|0,1,0]=3 2488 B15R1.1081 NC(=O)CSC[C@@H](O)Cc1ccccc1 62a_100000747473_100000729385 [0,0,0,0,0,2|0,1,0]=3 2489 B15R1.1081 NC(COCC(=O)[O-])Cc1ccccc1 34a_100000739027_100020667443 [0,0,0,0,0,2|2,0,0]=4 2490 B15R1.1081 O=C(O)CNC[C@@H](O)Cc1ccccc1 269956a_100016091260_100000729385 [0,0,0,0,0,2|2,0,0]=4 2491 B15R1.1081 O=C([O-])CSC[C@@H](O)Cc1ccccc1 62a_100000729385_100020667443 [0,0,0,0,0,2|1,1,0]=4 2492 B15R1.1081 O=C([O-])CSC[C@@H](O)Cc1ccccc1 62a_100020667443_100000729385 [0,0,0,0,0,2|1,1,0]=4 2493 B15R1.5919 CC(=O)NCC(O)COc1ccccc1 240690a_100000738913_100015343762 [0,0,0,0,0,2|2,0,0]=4 2494 B15R1.5919 CC(=O)NCC(O)COc1ccccc1 527a_100000738913_100103153847 [0,0,0,0,0,2|2,0,0]=4 2495 B15R1.5919 CC(=O)OCC(C)NCc1ccccc1 270004a_100015324214_100000000629 [0,0,0,0,0,2|2,0,0]=4 2496 B15R1.5919 CC(=O)OCC(O)CNc1ccccc1 34a_100000106764_200000139349 [0,0,0,0,0,2|1,0,0]=3 2497 B15R1.5919 CC(=O)OCC(O)COc1ccccc1 34a_100000210340_200000139349 [0,0,0,0,0,2|1,0,0]=3 2498 B15R1.5919 CC(=O)OCC(O)COc1ccccc1 7a_100000210340_200000139349 [0,0,0,0,0,2|1,0,0]=3 2499 B15R1.5919 CC(=O)OCC(O)COc1cccnc1 34a_100000210849_200000139349 [0,0,0,0,0,2|2,0,0]=4 2500 B15R1.5919 CC(=O)OCC(O)COc1cccnc1 7a_100000210849_200000139349 [0,0,0,0,0,2|2,0,0]=4 2501 B15R1.5919 CC(=O)OCC(O)COc1ccncc1 34a_100000212176_200000139349 [0,0,0,0,0,2|2,0,0]=4 2502 B15R1.5919 CC(=O)OCC(O)CSc1ccccc1 62a_100000719477_200000139349 [0,0,0,0,0,2|1,0,0]=3 2503 B15R1.5919 CC(=O)OCC(O)CSc1ccccc1 62a_200000139349_100000041952 [0,0,0,0,0,2|1,0,0]=3 2504 B15R1.5919 CC(=O)OCC(O)CSc1ccccn1 62a_100011216584_200000139349 [0,0,0,0,0,2|2,0,0]=4 2505 B15R1.5919 CC(=O)OCC(O)CSc1ccccn1 62a_200000139349_100011216584 [0,0,0,0,0,2|2,0,0]=4 2506 B15R1.5919 CC(=O)OCC(O)CSc1cccnc1 62a_100000210063_200000139349 [0,0,0,0,0,2|2,0,0]=4 2507 B15R1.5919 CC(=O)OCC(O)CSc1cccnc1 62a_200000139349_100000210063 [0,0,0,0,0,2|2,0,0]=4 2508 B15R1.5919 CC(=O)OCC(O)CSc1ccncc1 62a_100000728582_200000139349 [0,0,0,0,0,2|2,0,0]=4 2509 B15R1.5919 CC(=O)OCC(O)CSc1ccncc1 62a_200000139349_100000728582 [0,0,0,0,0,2|2,0,0]=4