0 B12R1.51 C#CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.51 C#CCC(=O)CCc1ccco1 1458a_100000185103_100000184674 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.51 C#CCC(=O)CCc1cccs1 1458a_100000185280_100000184674 [0,0,0,0,0,0|1,1,2]=4 3 B12R1.51 C#CCC(=O)CCc1cccs1 1458a_100011220946_100000748579 [0,0,0,0,0,0|1,1,2]=4 4 B12R1.51 C#CCC(=O)NCc1ccco1 1626a_100000185738_100011220946 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.51 C#CCC(=O)NCc1ccco1 527a_100000185738_100011220946 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.51 C=CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210623 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.51 C=CCC(=O)CCc1ccco1 1458a_100000185103_100000210623 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.51 C=CCC(=O)CCc1cccs1 1458a_100000185280_100000210623 [0,0,0,0,0,0|1,1,2]=4 9 B12R1.51 C=CCC(=O)CCc1cccs1 1458a_100000210193_100000748579 [0,0,0,0,0,0|1,1,2]=4 10 B12R1.51 C=CCC(=O)NCc1ccco1 11a_100000185738_100000210193 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.51 C=CCC(=O)NCc1ccco1 1626a_100000185738_100000210193 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.51 C=CCC(=O)NCc1ccco1 240690a_100000185738_100000210193 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.51 C=CCC(=O)NCc1ccco1 527a_100000185738_100000210193 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.51 C=COC(=O)CSc1ccco1 62a_100000036128_100009814098 [0,0,0,0,0,0|1,0,2]=3 15 B12R1.51 C=COC(=O)CSc1ccco1 62a_100009814098_100000036128 [0,0,0,0,0,0|1,0,2]=3 16 B12R1.51 C=COC(=O)CSc1cccs1 62a_100000036128_100011215356 [0,0,0,0,0,0|1,1,2]=4 17 B12R1.51 C=COC(=O)CSc1cccs1 62a_100011215356_100000036128 [0,0,0,0,0,0|1,1,2]=4 18 B12R1.51 C=COC(=O)CSc1cnco1 62a_100000036128_100020591547 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.51 C=COC(=O)CSc1cnco1 62a_100020591547_100000036128 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.51 C=COC(=O)CSc1ncco1 62a_100000036128_100011787736 [0,0,0,0,0,0|2,0,2]=4 21 B12R1.51 C=COC(=O)CSc1ncco1 62a_100011787736_100000036128 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.51 CC#CC(=O)CCc1c[nH]cn1 1458a_100000763181_100020628418 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.51 CC#CC(=O)CCc1cccs1 1458a_100000763181_100000748579 [0,0,0,0,0,0|1,1,1]=3 24 B12R1.51 CC#CC(=O)CCn1cccc1 1458a_100000763181_200000035178 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.51 CC#CC(=O)CCn1cccn1 1458a_100000763181_100000685285 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.51 CC(CCc1ccco1)NCF 34a_100000199034_100015361967 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.51 CC=CC(=O)CCc1c[nH]cn1 1458a_100000210699_100020628418 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.51 CC=CC(=O)CCc1cccs1 1458a_100000210699_100000748579 [0,0,0,0,0,0|1,1,1]=3 29 B12R1.51 CC=CC(=O)CCn1cccc1 1458a_100000210699_200000035178 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.51 CC=CC(=O)CCn1cccn1 1458a_100000210699_100000685285 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.51 CC=CC(=O)NCc1ccc[nH]1 11a_100000764082_100000210699 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.51 CC=CC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210699 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.51 CC=CC(=O)NCc1ccco1 11a_100000185738_100000210699 [0,0,0,0,0,0|2,0,1]=3 34 B12R1.51 CC=CC(=O)NCc1ccco1 1626a_100000185738_100000210699 [0,0,0,0,0,0|2,0,1]=3 35 B12R1.51 CC=CC(=O)NCc1ccco1 240690a_100000185738_100000210699 [0,0,0,0,0,0|2,0,1]=3 36 B12R1.51 CC=CC(=O)NCc1cccs1 11a_100000211653_100000210699 [0,0,0,0,0,0|2,1,1]=4 37 B12R1.51 CC=CC(=O)NCc1cccs1 1626a_100000211653_100000210699 [0,0,0,0,0,0|2,1,1]=4 38 B12R1.51 CC=CC(=O)NCc1cccs1 240690a_100000211653_100000210699 [0,0,0,0,0,0|2,1,1]=4 39 B12R1.51 CC=CC(=O)NCc1cnco1 11a_100020634212_100000210699 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.51 CC=CC(=O)NCc1cnco1 240690a_100020634212_100000210699 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.51 CC=CC(=O)NCc1ncco1 11a_100016994969_100000210699 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.51 CC=CC(=O)NCc1ncco1 1626a_100016994969_100000210699 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.51 CC=CC(=O)NCc1ncco1 240690a_100016994969_100000210699 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.51 CCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210303 [0,0,0,0,0,0|1,1,2]=4 45 B12R1.51 CCCC(=O)CCc1c[nH]cn1 1458a_100000211992_100020628418 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.51 CCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210303 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.51 CCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210303 [0,0,0,0,0,0|2,0,0]=2 48 B12R1.51 CCCC(=O)CCc1ccco1 1458a_100000185103_100000210303 [0,0,0,0,0,0|1,0,0]=1 49 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000185280_100000210303 [0,0,0,0,0,0|1,1,0]=2 50 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000211992_100000748579 [0,0,0,0,0,0|1,1,0]=2 51 B12R1.51 CCCC(=O)CCc1ccsc1 1458a_100000195497_100000210303 [0,0,0,0,0,0|3,0,0]=3 52 B12R1.51 CCCC(=O)CCc1cn[nH]c1 1458a_100000211992_100000743252 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.51 CCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210303 [0,0,0,0,0,0|3,0,0]=3 54 B12R1.51 CCCC(=O)CCc1cncs1 1458a_100012184922_100000210303 [0,0,0,0,0,0|2,1,0]=3 55 B12R1.51 CCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210303 [0,0,0,0,0,0|3,0,0]=3 56 B12R1.51 CCCC(=O)CCc1nccs1 1458a_100000742873_100000210303 [0,0,0,0,0,0|2,1,0]=3 57 B12R1.51 CCCC(=O)CCn1cccc1 1458a_100000211992_200000035178 [0,0,0,0,0,0|3,0,0]=3 58 B12R1.51 CCCC(=O)CCn1cccc1 1458a_100011196273_100000210303 [0,0,0,0,0,0|3,0,0]=3 59 B12R1.51 CCCC(=O)CCn1cccn1 1458a_100000211992_100000685285 [0,0,0,0,0,0|3,0,0]=3 60 B12R1.51 CCCC(=O)CCn1cccn1 1458a_100000242649_100000210303 [0,0,0,0,0,0|3,0,0]=3 61 B12R1.51 CCCC(=O)CCn1ccnc1 1458a_100000176952_100000210303 [0,0,0,0,0,0|4,0,0]=4 62 B12R1.51 CCCC(=O)CCn1ccnc1 1458a_100000211992_100000702546 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.51 CCCC(=O)CCn1ccnn1 1458a_100000741450_100000210303 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.51 CCCC(=O)CCn1cncn1 1458a_100000211992_100000731791 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.51 CCCC(=O)CCn1cncn1 1458a_100000242768_100000210303 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.51 CCCC(=O)COc1ccsc1 7a_100000106738_100000747444 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.51 CCCC(=O)CSc1c[nH]cn1 62a_100000747444_100000756875 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.51 CCCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747444 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.51 CCCC(=O)CSc1cc[nH]n1 62a_100000062575_100000747444 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.51 CCCC(=O)CSc1cc[nH]n1 62a_100000747444_100000062575 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.51 CCCC(=O)CSc1ccco1 62a_100000747444_100009814098 [0,0,0,0,0,0|2,0,0]=2 72 B12R1.51 CCCC(=O)CSc1ccco1 62a_100009814098_100000747444 [0,0,0,0,0,0|2,0,0]=2 73 B12R1.51 CCCC(=O)CSc1cccs1 62a_100000747444_100011215356 [0,0,0,0,0,0|2,1,0]=3 74 B12R1.51 CCCC(=O)CSc1cccs1 62a_100011215356_100000747444 [0,0,0,0,0,0|2,1,0]=3 75 B12R1.51 CCCC(=O)CSc1ccoc1 62a_100000747444_100011215275 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.51 CCCC(=O)CSc1ccoc1 62a_100011215275_100000747444 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.51 CCCC(=O)CSc1ccon1 62a_100000747444_100009818083 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.51 CCCC(=O)CSc1ccon1 62a_100009818083_100000747444 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.51 CCCC(=O)CSc1ccsc1 62a_100000738268_100000747444 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.51 CCCC(=O)CSc1ccsc1 62a_100000747444_100000738268 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.51 CCCC(=O)CSc1ccsn1 62a_100000747444_100009818082 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.51 CCCC(=O)CSc1ccsn1 62a_100009818082_100000747444 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.51 CCCC(=O)CSc1cnco1 62a_100000747444_100020591547 [0,0,0,0,0,0|3,0,0]=3 84 B12R1.51 CCCC(=O)CSc1cnco1 62a_100020591547_100000747444 [0,0,0,0,0,0|3,0,0]=3 85 B12R1.51 CCCC(=O)CSc1cncs1 62a_100000747444_100011934649 [0,0,0,0,0,0|3,1,0]=4 86 B12R1.51 CCCC(=O)CSc1cncs1 62a_100011934649_100000747444 [0,0,0,0,0,0|3,1,0]=4 87 B12R1.51 CCCC(=O)CSc1cscn1 62a_100000747444_100000751502 [0,0,0,0,0,0|4,0,0]=4 88 B12R1.51 CCCC(=O)CSc1cscn1 62a_100000751502_100000747444 [0,0,0,0,0,0|4,0,0]=4 89 B12R1.51 CCCC(=O)CSc1ncc[nH]1 62a_100000747444_100025796157 [0,0,0,0,0,0|4,0,0]=4 90 B12R1.51 CCCC(=O)CSc1ncc[nH]1 62a_100025796157_100000747444 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.51 CCCC(=O)CSc1ncco1 62a_100000747444_100011787736 [0,0,0,0,0,0|3,0,0]=3 92 B12R1.51 CCCC(=O)CSc1ncco1 62a_100011787736_100000747444 [0,0,0,0,0,0|3,0,0]=3 93 B12R1.51 CCCC(=O)CSc1nccs1 62a_100000211983_100000747444 [0,0,0,0,0,0|3,1,0]=4 94 B12R1.51 CCCC(=O)CSc1nccs1 62a_100000747444_100000211983 [0,0,0,0,0,0|3,1,0]=4 95 B12R1.51 CCCC(=O)NCc1c[nH]cn1 11a_100000758547_100000211992 [0,0,0,0,0,0|4,0,0]=4 96 B12R1.51 CCCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000211992 [0,0,0,0,0,0|4,0,0]=4 97 B12R1.51 CCCC(=O)NCc1c[nH]cn1 527a_100000758547_100000211992 [0,0,0,0,0,0|4,0,0]=4 98 B12R1.51 CCCC(=O)NCc1cc[nH]n1 11a_100000739516_100000211992 [0,0,0,0,0,0|4,0,0]=4 99 B12R1.51 CCCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000211992 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.51 CCCC(=O)NCc1cc[nH]n1 527a_100000739516_100000211992 [0,0,0,0,0,0|4,0,0]=4 101 B12R1.51 CCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000211992 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.51 CCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000211992 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.51 CCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000211992 [0,0,0,0,0,0|3,0,0]=3 104 B12R1.51 CCCC(=O)NCc1ccco1 11a_100000185738_100000211992 [0,0,0,0,0,0|2,0,0]=2 105 B12R1.51 CCCC(=O)NCc1ccco1 1626a_100000185738_100000211992 [0,0,0,0,0,0|2,0,0]=2 106 B12R1.51 CCCC(=O)NCc1ccco1 240690a_100000185738_100000211992 [0,0,0,0,0,0|2,0,0]=2 107 B12R1.51 CCCC(=O)NCc1ccco1 527a_100000185738_100000211992 [0,0,0,0,0,0|2,0,0]=2 108 B12R1.51 CCCC(=O)NCc1cccs1 11a_100000211653_100000211992 [0,0,0,0,0,0|2,1,0]=3 109 B12R1.51 CCCC(=O)NCc1cccs1 1626a_100000211653_100000211992 [0,0,0,0,0,0|2,1,0]=3 110 B12R1.51 CCCC(=O)NCc1cccs1 240690a_100000211653_100000211992 [0,0,0,0,0,0|2,1,0]=3 111 B12R1.51 CCCC(=O)NCc1cccs1 527a_100000211653_100000211992 [0,0,0,0,0,0|2,1,0]=3 112 B12R1.51 CCCC(=O)NCc1ccoc1 11a_100015206860_100000211992 [0,0,0,0,0,0|4,0,0]=4 113 B12R1.51 CCCC(=O)NCc1ccoc1 1626a_100015206860_100000211992 [0,0,0,0,0,0|4,0,0]=4 114 B12R1.51 CCCC(=O)NCc1ccoc1 240690a_100015206860_100000211992 [0,0,0,0,0,0|4,0,0]=4 115 B12R1.51 CCCC(=O)NCc1ccoc1 527a_100015206860_100000211992 [0,0,0,0,0,0|4,0,0]=4 116 B12R1.51 CCCC(=O)NCc1ccon1 11a_100000688301_100000211992 [0,0,0,0,0,0|4,0,0]=4 117 B12R1.51 CCCC(=O)NCc1ccon1 240690a_100000688301_100000211992 [0,0,0,0,0,0|4,0,0]=4 118 B12R1.51 CCCC(=O)NCc1ccon1 527a_100000688301_100000211992 [0,0,0,0,0,0|4,0,0]=4 119 B12R1.51 CCCC(=O)NCc1ccsc1 11a_100000186416_100000211992 [0,0,0,0,0,0|4,0,0]=4 120 B12R1.51 CCCC(=O)NCc1ccsc1 1626a_100000186416_100000211992 [0,0,0,0,0,0|4,0,0]=4 121 B12R1.51 CCCC(=O)NCc1ccsc1 240690a_100000186416_100000211992 [0,0,0,0,0,0|4,0,0]=4 122 B12R1.51 CCCC(=O)NCc1ccsc1 527a_100000186416_100000211992 [0,0,0,0,0,0|4,0,0]=4 123 B12R1.51 CCCC(=O)NCc1cnco1 11a_100020634212_100000211992 [0,0,0,0,0,0|3,0,0]=3 124 B12R1.51 CCCC(=O)NCc1cnco1 240690a_100020634212_100000211992 [0,0,0,0,0,0|3,0,0]=3 125 B12R1.51 CCCC(=O)NCc1cnco1 527a_100020634212_100000211992 [0,0,0,0,0,0|3,0,0]=3 126 B12R1.51 CCCC(=O)NCc1cncs1 11a_100016987365_100000211992 [0,0,0,0,0,0|3,1,0]=4 127 B12R1.51 CCCC(=O)NCc1cncs1 240690a_100016987365_100000211992 [0,0,0,0,0,0|3,1,0]=4 128 B12R1.51 CCCC(=O)NCc1cncs1 527a_100016987365_100000211992 [0,0,0,0,0,0|3,1,0]=4 129 B12R1.51 CCCC(=O)NCc1cocn1 11a_100015188801_100000211992 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.51 CCCC(=O)NCc1cocn1 240690a_100015188801_100000211992 [0,0,0,0,0,0|4,0,0]=4 131 B12R1.51 CCCC(=O)NCc1cocn1 527a_100015188801_100000211992 [0,0,0,0,0,0|4,0,0]=4 132 B12R1.51 CCCC(=O)NCc1cscn1 11a_100015185402_100000211992 [0,0,0,0,0,0|4,0,0]=4 133 B12R1.51 CCCC(=O)NCc1cscn1 1626a_100015185402_100000211992 [0,0,0,0,0,0|4,0,0]=4 134 B12R1.51 CCCC(=O)NCc1cscn1 240690a_100015185402_100000211992 [0,0,0,0,0,0|4,0,0]=4 135 B12R1.51 CCCC(=O)NCc1cscn1 527a_100015185402_100000211992 [0,0,0,0,0,0|4,0,0]=4 136 B12R1.51 CCCC(=O)NCc1ncc[nH]1 11a_100000754540_100000211992 [0,0,0,0,0,0|4,0,0]=4 137 B12R1.51 CCCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000211992 [0,0,0,0,0,0|4,0,0]=4 138 B12R1.51 CCCC(=O)NCc1ncc[nH]1 527a_100000754540_100000211992 [0,0,0,0,0,0|4,0,0]=4 139 B12R1.51 CCCC(=O)NCc1ncco1 11a_100016994969_100000211992 [0,0,0,0,0,0|3,0,0]=3 140 B12R1.51 CCCC(=O)NCc1ncco1 1626a_100016994969_100000211992 [0,0,0,0,0,0|3,0,0]=3 141 B12R1.51 CCCC(=O)NCc1ncco1 240690a_100016994969_100000211992 [0,0,0,0,0,0|3,0,0]=3 142 B12R1.51 CCCC(=O)NCc1ncco1 527a_100016994969_100000211992 [0,0,0,0,0,0|3,0,0]=3 143 B12R1.51 CCCC(=O)NCc1nccs1 11a_100000740555_100000211992 [0,0,0,0,0,0|3,1,0]=4 144 B12R1.51 CCCC(=O)NCc1nccs1 1626a_100000740555_100000211992 [0,0,0,0,0,0|3,1,0]=4 145 B12R1.51 CCCC(=O)NCc1nccs1 240690a_100000740555_100000211992 [0,0,0,0,0,0|3,1,0]=4 146 B12R1.51 CCCC(=O)NCc1nccs1 527a_100000740555_100000211992 [0,0,0,0,0,0|3,1,0]=4 147 B12R1.51 CCCC(C)CSc1ccco1 62a_100009814098_100011216630 [0,0,0,0,0,0|3,0,1]=4 148 B12R1.51 CCCC(C)CSc1ccco1 62a_100011216630_100009814098 [0,0,0,0,0,0|3,0,1]=4 149 B12R1.51 CCCC(C)NCc1ccco1 207a_100000741246_100000186105 [0,0,0,0,0,0|3,0,1]=4 150 B12R1.51 CCCC(C)NCc1ccco1 2230a_100000185738_100000766640 [0,0,0,0,0,0|3,0,1]=4 151 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000185738_100000211909 [0,0,0,0,0,0|3,0,1]=4 152 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000741246_100000186105 [0,0,0,0,0,0|3,0,1]=4 153 B12R1.51 CCCC(C)NCc1ccco1 34a_100000185738_100000766640 [0,0,0,0,0,0|3,0,1]=4 154 B12R1.51 CCCC(C)OCc1ccco1 34a_100000210059_100000766640 [0,0,0,0,0,0|3,0,1]=4 155 B12R1.51 CCCN(C)CCc1cccs1 2230a_100000747261_100000748579 [0,0,0,0,0,0|3,1,0]=4 156 B12R1.51 CCCN(C)CCc1cccs1 2230a_200000702708_200000210301 [0,0,0,0,0,0|3,1,0]=4 157 B12R1.51 CCCN(C)CCc1cccs1 269982a_100000747261_100000748579 [0,0,0,0,0,0|3,1,0]=4 158 B12R1.51 CCCN(C)CCc1cccs1 269982a_200000702708_200000210301 [0,0,0,0,0,0|3,1,0]=4 159 B12R1.51 CCCN([13CH3])CCc1cccs1 2230a_200000702708_200025704644 [0,0,0,0,0,0|3,1,0]=4 160 B12R1.51 CCCN([13CH3])CCc1cccs1 269982a_200000702708_200025704644 [0,0,0,0,0,0|3,1,0]=4 161 B12R1.51 CCNC(=O)C=Cc1cccs1 11a_100015525214_100000182767 [0,0,0,0,0,0|1,1,2]=4 162 B12R1.51 CCNC(=O)C=Cc1cccs1 240690a_100015525214_100000182767 [0,0,0,0,0,0|1,1,2]=4 163 B12R1.51 CCNC(=O)CCN1CC=CC1 269982a_100015195280_100000737597 [0,0,0,0,0,0|3,0,1]=4 164 B12R1.51 CCNC(=O)CCc1cc[nH]c1 11a_100015525214_200000093579 [0,0,0,0,0,0|3,0,0]=3 165 B12R1.51 CCNC(=O)CCc1cc[nH]c1 240690a_100015525214_200000093579 [0,0,0,0,0,0|3,0,0]=3 166 B12R1.51 CCNC(=O)CCc1cc[nH]c1 527a_100015525214_200000093579 [0,0,0,0,0,0|3,0,0]=3 167 B12R1.51 CCNC(=O)CCc1ccc[nH]1 11a_100015525214_200011998680 [0,0,0,0,0,0|2,0,0]=2 168 B12R1.51 CCNC(=O)CCc1ccc[nH]1 240690a_100015525214_200011998680 [0,0,0,0,0,0|2,0,0]=2 169 B12R1.51 CCNC(=O)CCc1ccc[nH]1 527a_100015525214_200011998680 [0,0,0,0,0,0|2,0,0]=2 170 B12R1.51 CCNC(=O)CCc1ccco1 11a_100015525214_100000185103 [0,0,0,0,0,0|1,0,0]=1 171 B12R1.51 CCNC(=O)CCc1ccco1 527a_100015525214_100000185103 [0,0,0,0,0,0|1,0,0]=1 172 B12R1.51 CCNC(=O)CCc1cccs1 11a_100015525214_100000185280 [0,0,0,0,0,0|1,1,0]=2 173 B12R1.51 CCNC(=O)CCc1cccs1 240690a_100015525214_100000185280 [0,0,0,0,0,0|1,1,0]=2 174 B12R1.51 CCNC(=O)CCc1cccs1 527a_100015525214_100000185280 [0,0,0,0,0,0|1,1,0]=2 175 B12R1.51 CCNC(=O)CCc1ccsc1 11a_100015525214_100000195497 [0,0,0,0,0,0|3,0,0]=3 176 B12R1.51 CCNC(=O)CCc1ccsc1 240690a_100015525214_100000195497 [0,0,0,0,0,0|3,0,0]=3 177 B12R1.51 CCNC(=O)CCc1ccsc1 527a_100015525214_100000195497 [0,0,0,0,0,0|3,0,0]=3 178 B12R1.51 CCNC(=O)CCc1cnc[nH]1 240690a_100015525214_100000044180 [0,0,0,0,0,0|3,0,0]=3 179 B12R1.51 CCNC(=O)CCc1cnc[nH]1 527a_100015525214_100000044180 [0,0,0,0,0,0|3,0,0]=3 180 B12R1.51 CCNC(=O)CCc1cncs1 11a_100015525214_100012184922 [0,0,0,0,0,0|2,1,0]=3 181 B12R1.51 CCNC(=O)CCc1cncs1 240690a_100015525214_100012184922 [0,0,0,0,0,0|2,1,0]=3 182 B12R1.51 CCNC(=O)CCc1cncs1 527a_100015525214_100012184922 [0,0,0,0,0,0|2,1,0]=3 183 B12R1.51 CCNC(=O)CCc1ncc[nH]1 240690a_100015525214_100000722789 [0,0,0,0,0,0|3,0,0]=3 184 B12R1.51 CCNC(=O)CCc1ncc[nH]1 527a_100015525214_100000722789 [0,0,0,0,0,0|3,0,0]=3 185 B12R1.51 CCNC(=O)CCc1nccs1 11a_100015525214_100000742873 [0,0,0,0,0,0|2,1,0]=3 186 B12R1.51 CCNC(=O)CCc1nccs1 240690a_100015525214_100000742873 [0,0,0,0,0,0|2,1,0]=3 187 B12R1.51 CCNC(=O)CCc1nccs1 527a_100015525214_100000742873 [0,0,0,0,0,0|2,1,0]=3 188 B12R1.51 CCNC(=O)CCn1cccc1 11a_100015525214_100011196273 [0,0,0,0,0,0|3,0,0]=3 189 B12R1.51 CCNC(=O)CCn1cccc1 527a_100015525214_100011196273 [0,0,0,0,0,0|3,0,0]=3 190 B12R1.51 CCNC(=O)CCn1cccn1 11a_100015525214_100000242649 [0,0,0,0,0,0|3,0,0]=3 191 B12R1.51 CCNC(=O)CCn1cccn1 240690a_100015525214_100000242649 [0,0,0,0,0,0|3,0,0]=3 192 B12R1.51 CCNC(=O)CCn1cccn1 527a_100015525214_100000242649 [0,0,0,0,0,0|3,0,0]=3 193 B12R1.51 CCNC(=O)CCn1ccnc1 11a_100015525214_100000176952 [0,0,0,0,0,0|4,0,0]=4 194 B12R1.51 CCNC(=O)CCn1ccnc1 240690a_100015525214_100000176952 [0,0,0,0,0,0|4,0,0]=4 195 B12R1.51 CCNC(=O)CCn1ccnc1 527a_100015525214_100000176952 [0,0,0,0,0,0|4,0,0]=4 196 B12R1.51 CCNC(=O)CCn1ccnn1 11a_100015525214_100000741450 [0,0,0,0,0,0|4,0,0]=4 197 B12R1.51 CCNC(=O)CCn1ccnn1 240690a_100015525214_100000741450 [0,0,0,0,0,0|4,0,0]=4 198 B12R1.51 CCNC(=O)CCn1ccnn1 527a_100015525214_100000741450 [0,0,0,0,0,0|4,0,0]=4 199 B12R1.51 CCNC(=O)CCn1cncn1 11a_100015525214_100000242768 [0,0,0,0,0,0|4,0,0]=4 200 B12R1.51 CCNC(=O)CCn1cncn1 240690a_100015525214_100000242768 [0,0,0,0,0,0|4,0,0]=4 201 B12R1.51 CCNC(=O)CCn1cncn1 527a_100015525214_100000242768 [0,0,0,0,0,0|4,0,0]=4 202 B12R1.51 CCNC(=O)COc1ccsc1 34a_100000106738_100000183381 [0,0,0,0,0,0|4,0,0]=4 203 B12R1.51 CCNC(=O)COc1ccsc1 7a_100000106738_100000183381 [0,0,0,0,0,0|4,0,0]=4 204 B12R1.51 CCNC(=O)CSc1c[nH]cn1 62a_100000183381_100000756875 [0,0,0,0,0,0|4,0,0]=4 205 B12R1.51 CCNC(=O)CSc1c[nH]cn1 62a_100000756875_100000183381 [0,0,0,0,0,0|4,0,0]=4 206 B12R1.51 CCNC(=O)CSc1cc[nH]n1 62a_100000062575_100000183381 [0,0,0,0,0,0|4,0,0]=4 207 B12R1.51 CCNC(=O)CSc1cc[nH]n1 62a_100000183381_100000062575 [0,0,0,0,0,0|4,0,0]=4 208 B12R1.51 CCNC(=O)CSc1ccco1 62a_100000183381_100009814098 [0,0,0,0,0,0|2,0,0]=2 209 B12R1.51 CCNC(=O)CSc1ccco1 62a_100009814098_100000183381 [0,0,0,0,0,0|2,0,0]=2 210 B12R1.51 CCNC(=O)CSc1cccs1 62a_100000183381_100011215356 [0,0,0,0,0,0|2,1,0]=3 211 B12R1.51 CCNC(=O)CSc1cccs1 62a_100011215356_100000183381 [0,0,0,0,0,0|2,1,0]=3 212 B12R1.51 CCNC(=O)CSc1ccoc1 62a_100000183381_100011215275 [0,0,0,0,0,0|4,0,0]=4 213 B12R1.51 CCNC(=O)CSc1ccoc1 62a_100011215275_100000183381 [0,0,0,0,0,0|4,0,0]=4 214 B12R1.51 CCNC(=O)CSc1ccon1 62a_100000183381_100009818083 [0,0,0,0,0,0|4,0,0]=4 215 B12R1.51 CCNC(=O)CSc1ccon1 62a_100009818083_100000183381 [0,0,0,0,0,0|4,0,0]=4 216 B12R1.51 CCNC(=O)CSc1ccsc1 62a_100000183381_100000738268 [0,0,0,0,0,0|4,0,0]=4 217 B12R1.51 CCNC(=O)CSc1ccsc1 62a_100000738268_100000183381 [0,0,0,0,0,0|4,0,0]=4 218 B12R1.51 CCNC(=O)CSc1ccsn1 62a_100000183381_100009818082 [0,0,0,0,0,0|4,0,0]=4 219 B12R1.51 CCNC(=O)CSc1ccsn1 62a_100009818082_100000183381 [0,0,0,0,0,0|4,0,0]=4 220 B12R1.51 CCNC(=O)CSc1cnco1 62a_100000183381_100020591547 [0,0,0,0,0,0|3,0,0]=3 221 B12R1.51 CCNC(=O)CSc1cnco1 62a_100020591547_100000183381 [0,0,0,0,0,0|3,0,0]=3 222 B12R1.51 CCNC(=O)CSc1cncs1 62a_100000183381_100011934649 [0,0,0,0,0,0|3,1,0]=4 223 B12R1.51 CCNC(=O)CSc1cncs1 62a_100011934649_100000183381 [0,0,0,0,0,0|3,1,0]=4 224 B12R1.51 CCNC(=O)CSc1cscn1 62a_100000183381_100000751502 [0,0,0,0,0,0|4,0,0]=4 225 B12R1.51 CCNC(=O)CSc1cscn1 62a_100000751502_100000183381 [0,0,0,0,0,0|4,0,0]=4 226 B12R1.51 CCNC(=O)CSc1ncc[nH]1 62a_100000183381_100025796157 [0,0,0,0,0,0|4,0,0]=4 227 B12R1.51 CCNC(=O)CSc1ncc[nH]1 62a_100025796157_100000183381 [0,0,0,0,0,0|4,0,0]=4 228 B12R1.51 CCNC(=O)CSc1ncco1 62a_100000183381_100011787736 [0,0,0,0,0,0|3,0,0]=3 229 B12R1.51 CCNC(=O)CSc1ncco1 62a_100011787736_100000183381 [0,0,0,0,0,0|3,0,0]=3 230 B12R1.51 CCNC(=O)CSc1nccs1 11a_100015525214_100000739254 [0,0,0,0,0,0|3,1,0]=4 231 B12R1.51 CCNC(=O)CSc1nccs1 240690a_100015525214_100000739254 [0,0,0,0,0,0|3,1,0]=4 232 B12R1.51 CCNC(=O)CSc1nccs1 62a_100000183381_100000211983 [0,0,0,0,0,0|3,1,0]=4 233 B12R1.51 CCNC(=O)CSc1nccs1 62a_100000211983_100000183381 [0,0,0,0,0,0|3,1,0]=4 234 B12R1.51 CCNC(=O)NCc1c[nH]cn1 2708a_100000758547_100015525214 [0,0,0,0,0,0|4,0,0]=4 235 B12R1.51 CCNC(=O)NCc1c[nH]cn1 2708a_100015525214_100000758547 [0,0,0,0,0,0|4,0,0]=4 236 B12R1.51 CCNC(=O)NCc1c[nH]cn1 273464a_100000758547_100015525214 [0,0,0,0,0,0|4,0,0]=4 237 B12R1.51 CCNC(=O)NCc1c[nH]cn1 273464a_100015525214_100000758547 [0,0,0,0,0,0|4,0,0]=4 238 B12R1.51 CCNC(=O)NCc1c[nH]cn1 512a_100000758547_100015525214 [0,0,0,0,0,0|4,0,0]=4 239 B12R1.51 CCNC(=O)NCc1c[nH]cn1 512a_100015525214_100000758547 [0,0,0,0,0,0|4,0,0]=4 240 B12R1.51 CCNC(=O)NCc1cc[nH]n1 2708a_100000739516_100015525214 [0,0,0,0,0,0|4,0,0]=4 241 B12R1.51 CCNC(=O)NCc1cc[nH]n1 2708a_100015525214_100000739516 [0,0,0,0,0,0|4,0,0]=4 242 B12R1.51 CCNC(=O)NCc1cc[nH]n1 273464a_100000739516_100015525214 [0,0,0,0,0,0|4,0,0]=4 243 B12R1.51 CCNC(=O)NCc1cc[nH]n1 273464a_100015525214_100000739516 [0,0,0,0,0,0|4,0,0]=4 244 B12R1.51 CCNC(=O)NCc1cc[nH]n1 512a_100000739516_100015525214 [0,0,0,0,0,0|4,0,0]=4 245 B12R1.51 CCNC(=O)NCc1cc[nH]n1 512a_100015525214_100000739516 [0,0,0,0,0,0|4,0,0]=4 246 B12R1.51 CCNC(=O)NCc1ccc[nH]1 273464a_100000764082_100015525214 [0,0,0,0,0,0|3,0,0]=3 247 B12R1.51 CCNC(=O)NCc1ccc[nH]1 273464a_100015525214_100000764082 [0,0,0,0,0,0|3,0,0]=3 248 B12R1.51 CCNC(=O)NCc1ccc[nH]1 512a_100015525214_100000764082 [0,0,0,0,0,0|3,0,0]=3 249 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100000185738_100015525214 [0,0,0,0,0,0|2,0,0]=2 250 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100015525214_100000185738 [0,0,0,0,0,0|2,0,0]=2 251 B12R1.51 CCNC(=O)NCc1ccco1 273464a_100000185738_100015525214 [0,0,0,0,0,0|2,0,0]=2 252 B12R1.51 CCNC(=O)NCc1ccco1 512a_100000185738_100015525214 [0,0,0,0,0,0|2,0,0]=2 253 B12R1.51 CCNC(=O)NCc1ccco1 512a_100015525214_100000185738 [0,0,0,0,0,0|2,0,0]=2 254 B12R1.51 CCNC(=O)NCc1cccs1 2708a_100000211653_100015525214 [0,0,0,0,0,0|2,1,0]=3 255 B12R1.51 CCNC(=O)NCc1cccs1 2708a_100015525214_100000211653 [0,0,0,0,0,0|2,1,0]=3 256 B12R1.51 CCNC(=O)NCc1cccs1 273464a_100000211653_100015525214 [0,0,0,0,0,0|2,1,0]=3 257 B12R1.51 CCNC(=O)NCc1cccs1 273464a_100015525214_100000211653 [0,0,0,0,0,0|2,1,0]=3 258 B12R1.51 CCNC(=O)NCc1cccs1 512a_100000211653_100015525214 [0,0,0,0,0,0|2,1,0]=3 259 B12R1.51 CCNC(=O)NCc1cccs1 512a_100015525214_100000211653 [0,0,0,0,0,0|2,1,0]=3 260 B12R1.51 CCNC(=O)NCc1ccoc1 2708a_100015206860_100015525214 [0,0,0,0,0,0|4,0,0]=4 261 B12R1.51 CCNC(=O)NCc1ccoc1 2708a_100015525214_100015206860 [0,0,0,0,0,0|4,0,0]=4 262 B12R1.51 CCNC(=O)NCc1ccoc1 273464a_100015206860_100015525214 [0,0,0,0,0,0|4,0,0]=4 263 B12R1.51 CCNC(=O)NCc1ccoc1 273464a_100015525214_100015206860 [0,0,0,0,0,0|4,0,0]=4 264 B12R1.51 CCNC(=O)NCc1ccoc1 512a_100015206860_100015525214 [0,0,0,0,0,0|4,0,0]=4 265 B12R1.51 CCNC(=O)NCc1ccoc1 512a_100015525214_100015206860 [0,0,0,0,0,0|4,0,0]=4 266 B12R1.51 CCNC(=O)NCc1ccon1 2708a_100000688301_100015525214 [0,0,0,0,0,0|4,0,0]=4 267 B12R1.51 CCNC(=O)NCc1ccon1 2708a_100015525214_100000688301 [0,0,0,0,0,0|4,0,0]=4 268 B12R1.51 CCNC(=O)NCc1ccon1 273464a_100000688301_100015525214 [0,0,0,0,0,0|4,0,0]=4 269 B12R1.51 CCNC(=O)NCc1ccon1 273464a_100015525214_100000688301 [0,0,0,0,0,0|4,0,0]=4 270 B12R1.51 CCNC(=O)NCc1ccon1 512a_100000688301_100015525214 [0,0,0,0,0,0|4,0,0]=4 271 B12R1.51 CCNC(=O)NCc1ccon1 512a_100015525214_100000688301 [0,0,0,0,0,0|4,0,0]=4 272 B12R1.51 CCNC(=O)NCc1ccsc1 2708a_100000186416_100015525214 [0,0,0,0,0,0|4,0,0]=4 273 B12R1.51 CCNC(=O)NCc1ccsc1 2708a_100015525214_100000186416 [0,0,0,0,0,0|4,0,0]=4 274 B12R1.51 CCNC(=O)NCc1ccsc1 273464a_100000186416_100015525214 [0,0,0,0,0,0|4,0,0]=4 275 B12R1.51 CCNC(=O)NCc1ccsc1 273464a_100015525214_100000186416 [0,0,0,0,0,0|4,0,0]=4 276 B12R1.51 CCNC(=O)NCc1ccsc1 512a_100000186416_100015525214 [0,0,0,0,0,0|4,0,0]=4 277 B12R1.51 CCNC(=O)NCc1ccsc1 512a_100015525214_100000186416 [0,0,0,0,0,0|4,0,0]=4 278 B12R1.51 CCNC(=O)NCc1cnco1 2708a_100015525214_100020634212 [0,0,0,0,0,0|3,0,0]=3 279 B12R1.51 CCNC(=O)NCc1cnco1 2708a_100020634212_100015525214 [0,0,0,0,0,0|3,0,0]=3 280 B12R1.51 CCNC(=O)NCc1cnco1 273464a_100015525214_100020634212 [0,0,0,0,0,0|3,0,0]=3 281 B12R1.51 CCNC(=O)NCc1cnco1 273464a_100020634212_100015525214 [0,0,0,0,0,0|3,0,0]=3 282 B12R1.51 CCNC(=O)NCc1cnco1 512a_100015525214_100020634212 [0,0,0,0,0,0|3,0,0]=3 283 B12R1.51 CCNC(=O)NCc1cnco1 512a_100020634212_100015525214 [0,0,0,0,0,0|3,0,0]=3 284 B12R1.51 CCNC(=O)NCc1cncs1 2708a_100015525214_100016987365 [0,0,0,0,0,0|3,1,0]=4 285 B12R1.51 CCNC(=O)NCc1cncs1 2708a_100016987365_100015525214 [0,0,0,0,0,0|3,1,0]=4 286 B12R1.51 CCNC(=O)NCc1cncs1 273464a_100015525214_100016987365 [0,0,0,0,0,0|3,1,0]=4 287 B12R1.51 CCNC(=O)NCc1cncs1 273464a_100016987365_100015525214 [0,0,0,0,0,0|3,1,0]=4 288 B12R1.51 CCNC(=O)NCc1cncs1 512a_100015525214_100016987365 [0,0,0,0,0,0|3,1,0]=4 289 B12R1.51 CCNC(=O)NCc1cncs1 512a_100016987365_100015525214 [0,0,0,0,0,0|3,1,0]=4 290 B12R1.51 CCNC(=O)NCc1cocn1 2708a_100015188801_100015525214 [0,0,0,0,0,0|4,0,0]=4 291 B12R1.51 CCNC(=O)NCc1cocn1 2708a_100015525214_100015188801 [0,0,0,0,0,0|4,0,0]=4 292 B12R1.51 CCNC(=O)NCc1cocn1 273464a_100015188801_100015525214 [0,0,0,0,0,0|4,0,0]=4 293 B12R1.51 CCNC(=O)NCc1cocn1 273464a_100015525214_100015188801 [0,0,0,0,0,0|4,0,0]=4 294 B12R1.51 CCNC(=O)NCc1cocn1 512a_100015188801_100015525214 [0,0,0,0,0,0|4,0,0]=4 295 B12R1.51 CCNC(=O)NCc1cocn1 512a_100015525214_100015188801 [0,0,0,0,0,0|4,0,0]=4 296 B12R1.51 CCNC(=O)NCc1cscn1 2708a_100015185402_100015525214 [0,0,0,0,0,0|4,0,0]=4 297 B12R1.51 CCNC(=O)NCc1cscn1 2708a_100015525214_100015185402 [0,0,0,0,0,0|4,0,0]=4 298 B12R1.51 CCNC(=O)NCc1cscn1 273464a_100015185402_100015525214 [0,0,0,0,0,0|4,0,0]=4 299 B12R1.51 CCNC(=O)NCc1cscn1 273464a_100015525214_100015185402 [0,0,0,0,0,0|4,0,0]=4 300 B12R1.51 CCNC(=O)NCc1cscn1 512a_100015185402_100015525214 [0,0,0,0,0,0|4,0,0]=4 301 B12R1.51 CCNC(=O)NCc1cscn1 512a_100015525214_100015185402 [0,0,0,0,0,0|4,0,0]=4 302 B12R1.51 CCNC(=O)NCc1ncc[nH]1 2708a_100000754540_100015525214 [0,0,0,0,0,0|4,0,0]=4 303 B12R1.51 CCNC(=O)NCc1ncc[nH]1 2708a_100015525214_100000754540 [0,0,0,0,0,0|4,0,0]=4 304 B12R1.51 CCNC(=O)NCc1ncc[nH]1 273464a_100000754540_100015525214 [0,0,0,0,0,0|4,0,0]=4 305 B12R1.51 CCNC(=O)NCc1ncc[nH]1 273464a_100015525214_100000754540 [0,0,0,0,0,0|4,0,0]=4 306 B12R1.51 CCNC(=O)NCc1ncc[nH]1 512a_100000754540_100015525214 [0,0,0,0,0,0|4,0,0]=4 307 B12R1.51 CCNC(=O)NCc1ncc[nH]1 512a_100015525214_100000754540 [0,0,0,0,0,0|4,0,0]=4 308 B12R1.51 CCNC(=O)NCc1ncco1 2708a_100015525214_100016994969 [0,0,0,0,0,0|3,0,0]=3 309 B12R1.51 CCNC(=O)NCc1ncco1 2708a_100016994969_100015525214 [0,0,0,0,0,0|3,0,0]=3 310 B12R1.51 CCNC(=O)NCc1ncco1 273464a_100015525214_100016994969 [0,0,0,0,0,0|3,0,0]=3 311 B12R1.51 CCNC(=O)NCc1ncco1 273464a_100016994969_100015525214 [0,0,0,0,0,0|3,0,0]=3 312 B12R1.51 CCNC(=O)NCc1ncco1 512a_100015525214_100016994969 [0,0,0,0,0,0|3,0,0]=3 313 B12R1.51 CCNC(=O)NCc1ncco1 512a_100016994969_100015525214 [0,0,0,0,0,0|3,0,0]=3 314 B12R1.51 CCNC(=O)NCc1nccs1 2708a_100000740555_100015525214 [0,0,0,0,0,0|3,1,0]=4 315 B12R1.51 CCNC(=O)NCc1nccs1 2708a_100015525214_100000740555 [0,0,0,0,0,0|3,1,0]=4 316 B12R1.51 CCNC(=O)NCc1nccs1 273464a_100000740555_100015525214 [0,0,0,0,0,0|3,1,0]=4 317 B12R1.51 CCNC(=O)NCc1nccs1 273464a_100015525214_100000740555 [0,0,0,0,0,0|3,1,0]=4 318 B12R1.51 CCNC(=O)NCc1nccs1 512a_100000740555_100015525214 [0,0,0,0,0,0|3,1,0]=4 319 B12R1.51 CCNC(=O)NCc1nccs1 512a_100015525214_100000740555 [0,0,0,0,0,0|3,1,0]=4 320 B12R1.51 CCNC(C)CCc1ccco1 2230a_100000199034_100000210202 [0,0,0,0,0,0|2,0,1]=3 321 B12R1.51 CCNC(C)CCc1ccco1 34a_100000199034_100000210202 [0,0,0,0,0,0|2,0,1]=3 322 B12R1.51 CCOC(=O)C=Cc1c[nH]cn1 271570a_100010199719_100000756875 [0,0,0,0,0,0|2,0,2]=4 323 B12R1.51 CCOC(=O)C=Cc1cc[nH]n1 271570a_100010199719_100000062575 [0,0,0,0,0,0|2,0,2]=4 324 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [0,0,0,0,0,0|0,0,2]=2 325 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [0,0,0,0,0,0|0,1,2]=3 326 B12R1.51 CCOC(=O)C=Cc1ccoc1 271570a_100010199719_100011215275 [0,0,0,0,0,0|2,0,2]=4 327 B12R1.51 CCOC(=O)C=Cc1ccsc1 271570a_100010199719_100000738268 [0,0,0,0,0,0|2,0,2]=4 328 B12R1.51 CCOC(=O)C=Cc1ccsn1 271570a_100010199719_100009818082 [0,0,0,0,0,0|2,0,2]=4 329 B12R1.51 CCOC(=O)C=Cc1cnco1 271570a_100010199719_100020591547 [0,0,0,0,0,0|1,0,2]=3 330 B12R1.51 CCOC(=O)C=Cc1cncs1 271570a_100010199719_100011934649 [0,0,0,0,0,0|1,1,2]=4 331 B12R1.51 CCOC(=O)C=Cc1cscn1 271570a_100010199719_100000751502 [0,0,0,0,0,0|2,0,2]=4 332 B12R1.51 CCOC(=O)C=Cc1ncc[nH]1 271570a_100010199719_100025796157 [0,0,0,0,0,0|2,0,2]=4 333 B12R1.51 CCOC(=O)C=Cc1ncco1 271570a_100010199719_100011787736 [0,0,0,0,0,0|1,0,2]=3 334 B12R1.51 CCOC(=O)C=Cc1nccs1 271570a_100010199719_100000211983 [0,0,0,0,0,0|1,1,2]=4 335 B12R1.51 CCOC(=O)CCN1CC=CC1 269982a_100015195280_100011206558 [0,0,0,0,0,0|2,0,1]=3 336 B12R1.51 CCOC(=O)CNC1CC=CC1 2230a_100015188752_100000188475 [0,0,0,0,0,0|2,0,2]=4 337 B12R1.51 CCOC(=O)COc1ccsc1 34a_100000106738_100000188475 [0,0,0,0,0,0|3,0,0]=3 338 B12R1.51 CCOC(=O)COc1ccsc1 7a_100000106738_100000188475 [0,0,0,0,0,0|3,0,0]=3 339 B12R1.51 CCOC(=O)CSc1c[nH]cn1 62a_100000188475_100000756875 [0,0,0,0,0,0|3,0,0]=3 340 B12R1.51 CCOC(=O)CSc1c[nH]cn1 62a_100000756875_100000188475 [0,0,0,0,0,0|3,0,0]=3 341 B12R1.51 CCOC(=O)CSc1c[nH]nn1 62a_100000188475_100009819707 [0,0,0,0,0,0|4,0,0]=4 342 B12R1.51 CCOC(=O)CSc1c[nH]nn1 62a_100009819707_100000188475 [0,0,0,0,0,0|4,0,0]=4 343 B12R1.51 CCOC(=O)CSc1cc[nH]n1 62a_100000062575_100000188475 [0,0,0,0,0,0|3,0,0]=3 344 B12R1.51 CCOC(=O)CSc1cc[nH]n1 62a_100000188475_100000062575 [0,0,0,0,0,0|3,0,0]=3 345 B12R1.51 CCOC(=O)CSc1ccco1 62a_100000188475_100009814098 [0,0,0,0,0,0|1,0,0]=1 346 B12R1.51 CCOC(=O)CSc1ccco1 62a_100009814098_100000188475 [0,0,0,0,0,0|1,0,0]=1 347 B12R1.51 CCOC(=O)CSc1cccs1 62a_100000188475_100011215356 [0,0,0,0,0,0|1,1,0]=2 348 B12R1.51 CCOC(=O)CSc1cccs1 62a_100011215356_100000188475 [0,0,0,0,0,0|1,1,0]=2 349 B12R1.51 CCOC(=O)CSc1ccoc1 62a_100000188475_100011215275 [0,0,0,0,0,0|3,0,0]=3 350 B12R1.51 CCOC(=O)CSc1ccoc1 62a_100011215275_100000188475 [0,0,0,0,0,0|3,0,0]=3 351 B12R1.51 CCOC(=O)CSc1ccon1 62a_100000188475_100009818083 [0,0,0,0,0,0|3,0,0]=3 352 B12R1.51 CCOC(=O)CSc1ccon1 62a_100009818083_100000188475 [0,0,0,0,0,0|3,0,0]=3 353 B12R1.51 CCOC(=O)CSc1ccsc1 62a_100000188475_100000738268 [0,0,0,0,0,0|3,0,0]=3 354 B12R1.51 CCOC(=O)CSc1ccsc1 62a_100000738268_100000188475 [0,0,0,0,0,0|3,0,0]=3 355 B12R1.51 CCOC(=O)CSc1ccsn1 62a_100000188475_100009818082 [0,0,0,0,0,0|3,0,0]=3 356 B12R1.51 CCOC(=O)CSc1ccsn1 62a_100009818082_100000188475 [0,0,0,0,0,0|3,0,0]=3 357 B12R1.51 CCOC(=O)CSc1cn[nH]c1 62a_100000188475_100000238712 [0,0,0,0,0,0|4,0,0]=4 358 B12R1.51 CCOC(=O)CSc1cn[nH]c1 62a_100000238712_100000188475 [0,0,0,0,0,0|4,0,0]=4 359 B12R1.51 CCOC(=O)CSc1cnco1 62a_100000188475_100020591547 [0,0,0,0,0,0|2,0,0]=2 360 B12R1.51 CCOC(=O)CSc1cnco1 62a_100020591547_100000188475 [0,0,0,0,0,0|2,0,0]=2 361 B12R1.51 CCOC(=O)CSc1cncs1 62a_100000188475_100011934649 [0,0,0,0,0,0|2,1,0]=3 362 B12R1.51 CCOC(=O)CSc1cncs1 62a_100011934649_100000188475 [0,0,0,0,0,0|2,1,0]=3 363 B12R1.51 CCOC(=O)CSc1cnoc1 62a_100000188475_100009815712 [0,0,0,0,0,0|4,0,0]=4 364 B12R1.51 CCOC(=O)CSc1cnoc1 62a_100009815712_100000188475 [0,0,0,0,0,0|4,0,0]=4 365 B12R1.51 CCOC(=O)CSc1cnsc1 62a_100000188475_100009815736 [0,0,0,0,0,0|4,0,0]=4 366 B12R1.51 CCOC(=O)CSc1cnsc1 62a_100009815736_100000188475 [0,0,0,0,0,0|4,0,0]=4 367 B12R1.51 CCOC(=O)CSc1cscn1 62a_100000188475_100000751502 [0,0,0,0,0,0|3,0,0]=3 368 B12R1.51 CCOC(=O)CSc1cscn1 62a_100000751502_100000188475 [0,0,0,0,0,0|3,0,0]=3 369 B12R1.51 CCOC(=O)CSc1nc[nH]n1 62a_100000188475_100000761765 [0,0,0,0,0,0|4,0,0]=4 370 B12R1.51 CCOC(=O)CSc1nc[nH]n1 62a_100000761765_100000188475 [0,0,0,0,0,0|4,0,0]=4 371 B12R1.51 CCOC(=O)CSc1ncc[nH]1 62a_100000188475_100025796157 [0,0,0,0,0,0|3,0,0]=3 372 B12R1.51 CCOC(=O)CSc1ncc[nH]1 62a_100025796157_100000188475 [0,0,0,0,0,0|3,0,0]=3 373 B12R1.51 CCOC(=O)CSc1ncco1 62a_100000188475_100011787736 [0,0,0,0,0,0|2,0,0]=2 374 B12R1.51 CCOC(=O)CSc1ncco1 62a_100011787736_100000188475 [0,0,0,0,0,0|2,0,0]=2 375 B12R1.51 CCOC(=O)CSc1nccs1 62a_100000188475_100000211983 [0,0,0,0,0,0|2,1,0]=3 376 B12R1.51 CCOC(=O)CSc1nccs1 62a_100000211983_100000188475 [0,0,0,0,0,0|2,1,0]=3 377 B12R1.51 CCOC(=O)CSc1ncns1 62a_100000188475_100000693119 [0,0,0,0,0,0|3,1,0]=4 378 B12R1.51 CCOC(=O)CSc1ncns1 62a_100000693119_100000188475 [0,0,0,0,0,0|3,1,0]=4 379 B12R1.51 CCOC(=O)CSc1nncs1 62a_100000188475_100000739804 [0,0,0,0,0,0|3,1,0]=4 380 B12R1.51 CCOC(=O)CSc1nncs1 62a_100000739804_100000188475 [0,0,0,0,0,0|3,1,0]=4 381 B12R1.51 CNCC(=O)NCc1ccco1 2230a_100000741066_200000210301 [0,0,0,0,0,0|3,0,0]=3 382 B12R1.51 CNCC(=O)NCc1ccco1 2230a_106832991635_100000183421 [0,0,0,0,0,0|3,0,0]=3 383 B12R1.51 CNCC(=O)NCc1ccco1 34a_100102657272_100000183421 [0,0,0,0,0,0|3,0,0]=3 384 B12R1.51 CNCC(=O)NCc1ccco1 7a_106832991635_100000183421 [0,0,0,0,0,0|3,0,0]=3 385 B12R1.51 CNCC(=O)NCc1cccs1 2230a_106832991635_100000182718 [0,0,0,0,0,0|3,1,0]=4 386 B12R1.51 CNCC(=O)NCc1cccs1 34a_100102657272_100000182718 [0,0,0,0,0,0|3,1,0]=4 387 B12R1.51 CNCC(=O)NCc1cccs1 7a_106832991635_100000182718 [0,0,0,0,0,0|3,1,0]=4 388 B12R1.51 CNNC(=O)C=Cc1ccco1 22a_100016993582_100000720202 [0,0,0,0,0,0|2,0,2]=4 389 B12R1.51 CNNC(=O)CCc1cc[nH]c1 22a_100016993582_200000093579 [0,0,0,0,0,0|4,0,0]=4 390 B12R1.51 CNNC(=O)CCc1ccc[nH]1 22a_100016993582_200011998680 [0,0,0,0,0,0|3,0,0]=3 391 B12R1.51 CNNC(=O)CCc1ccco1 22a_100016993582_100000185103 [0,0,0,0,0,0|2,0,0]=2 392 B12R1.51 CNNC(=O)CCc1cccs1 22a_100016993582_100000185280 [0,0,0,0,0,0|2,1,0]=3 393 B12R1.51 CNNC(=O)CCc1ccsc1 22a_100016993582_100000195497 [0,0,0,0,0,0|4,0,0]=4 394 B12R1.51 CNNC(=O)CCc1cnc[nH]1 22a_100016993582_100000044180 [0,0,0,0,0,0|4,0,0]=4 395 B12R1.51 CNNC(=O)CCc1cncs1 22a_100016993582_100012184922 [0,0,0,0,0,0|3,1,0]=4 396 B12R1.51 CNNC(=O)CCc1ncc[nH]1 22a_100016993582_100000722789 [0,0,0,0,0,0|4,0,0]=4 397 B12R1.51 CNNC(=O)CCc1nccs1 22a_100016993582_100000742873 [0,0,0,0,0,0|3,1,0]=4 398 B12R1.51 CNNC(=O)CCn1cccc1 22a_100016993582_100011196273 [0,0,0,0,0,0|4,0,0]=4 399 B12R1.51 CNNC(=O)CCn1cccn1 22a_100016993582_100000242649 [0,0,0,0,0,0|4,0,0]=4 400 B12R1.51 CNNC(=O)NCc1ccc[nH]1 273464a_100000764082_100016993582 [0,0,0,0,0,0|4,0,0]=4 401 B12R1.51 CNNC(=O)NCc1ccc[nH]1 512a_100016993582_100000764082 [0,0,0,0,0,0|4,0,0]=4 402 B12R1.51 CNNC(=O)NCc1ccco1 273464a_100000185738_100016993582 [0,0,0,0,0,0|3,0,0]=3 403 B12R1.51 CNNC(=O)NCc1ccco1 512a_100000185738_100016993582 [0,0,0,0,0,0|3,0,0]=3 404 B12R1.51 CNNC(=O)NCc1ccco1 512a_100016993582_100000185738 [0,0,0,0,0,0|3,0,0]=3 405 B12R1.51 CNNC(=O)NCc1cccs1 273464a_100000211653_100016993582 [0,0,0,0,0,0|3,1,0]=4 406 B12R1.51 CNNC(=O)NCc1cccs1 512a_100000211653_100016993582 [0,0,0,0,0,0|3,1,0]=4 407 B12R1.51 CNNC(=O)NCc1cccs1 512a_100016993582_100000211653 [0,0,0,0,0,0|3,1,0]=4 408 B12R1.51 CNNC(=O)NCc1cnco1 273464a_100020634212_100016993582 [0,0,0,0,0,0|4,0,0]=4 409 B12R1.51 CNNC(=O)NCc1cnco1 512a_100016993582_100020634212 [0,0,0,0,0,0|4,0,0]=4 410 B12R1.51 CNNC(=O)NCc1cnco1 512a_100020634212_100016993582 [0,0,0,0,0,0|4,0,0]=4 411 B12R1.51 CNNC(=O)NCc1ncco1 273464a_100016994969_100016993582 [0,0,0,0,0,0|4,0,0]=4 412 B12R1.51 CNNC(=O)NCc1ncco1 512a_100016993582_100016994969 [0,0,0,0,0,0|4,0,0]=4 413 B12R1.51 CNNC(=O)NCc1ncco1 512a_100016994969_100016993582 [0,0,0,0,0,0|4,0,0]=4 414 B12R1.51 COCC(=O)CCc1c[nH]cn1 1458a_100000210968_100020628418 [0,0,0,0,0,0|4,0,0]=4 415 B12R1.51 COCC(=O)CCc1cccs1 1458a_100000210968_100000748579 [0,0,0,0,0,0|2,1,0]=3 416 B12R1.51 COCC(=O)CCn1cccc1 1458a_100000210968_200000035178 [0,0,0,0,0,0|4,0,0]=4 417 B12R1.51 COCC(=O)CCn1cccn1 1458a_100000210968_100000685285 [0,0,0,0,0,0|4,0,0]=4 418 B12R1.51 COCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210968 [0,0,0,0,0,0|4,0,0]=4 419 B12R1.51 COCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210968 [0,0,0,0,0,0|4,0,0]=4 420 B12R1.51 COCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210968 [0,0,0,0,0,0|4,0,0]=4 421 B12R1.51 COCC(=O)NCc1ccco1 11a_100000185738_100000210968 [0,0,0,0,0,0|3,0,0]=3 422 B12R1.51 COCC(=O)NCc1ccco1 1626a_100000185738_100000210968 [0,0,0,0,0,0|3,0,0]=3 423 B12R1.51 COCC(=O)NCc1ccco1 240690a_100000185738_100000210968 [0,0,0,0,0,0|3,0,0]=3 424 B12R1.51 COCC(=O)NCc1ccco1 34a_100138415774_100000183421 [0,0,0,0,0,0|3,0,0]=3 425 B12R1.51 COCC(=O)NCc1ccco1 527a_100000185738_100000210968 [0,0,0,0,0,0|3,0,0]=3 426 B12R1.51 COCC(=O)NCc1cccs1 11a_100000211653_100000210968 [0,0,0,0,0,0|3,1,0]=4 427 B12R1.51 COCC(=O)NCc1cccs1 1626a_100000211653_100000210968 [0,0,0,0,0,0|3,1,0]=4 428 B12R1.51 COCC(=O)NCc1cccs1 240690a_100000211653_100000210968 [0,0,0,0,0,0|3,1,0]=4 429 B12R1.51 COCC(=O)NCc1cccs1 34a_100138415774_100000182718 [0,0,0,0,0,0|3,1,0]=4 430 B12R1.51 COCC(=O)NCc1cccs1 527a_100000211653_100000210968 [0,0,0,0,0,0|3,1,0]=4 431 B12R1.51 COCC(=O)NCc1cnco1 11a_100020634212_100000210968 [0,0,0,0,0,0|4,0,0]=4 432 B12R1.51 COCC(=O)NCc1cnco1 240690a_100020634212_100000210968 [0,0,0,0,0,0|4,0,0]=4 433 B12R1.51 COCC(=O)NCc1cnco1 527a_100020634212_100000210968 [0,0,0,0,0,0|4,0,0]=4 434 B12R1.51 COCC(=O)NCc1ncco1 11a_100016994969_100000210968 [0,0,0,0,0,0|4,0,0]=4 435 B12R1.51 COCC(=O)NCc1ncco1 1626a_100016994969_100000210968 [0,0,0,0,0,0|4,0,0]=4 436 B12R1.51 COCC(=O)NCc1ncco1 240690a_100016994969_100000210968 [0,0,0,0,0,0|4,0,0]=4 437 B12R1.51 COCC(=O)NCc1ncco1 527a_100016994969_100000210968 [0,0,0,0,0,0|4,0,0]=4 438 B12R1.51 CSCC(=O)CCc1c[nH]cn1 1458a_100000184570_100020628418 [0,0,0,0,0,0|4,0,0]=4 439 B12R1.51 CSCC(=O)CCc1cccs1 1458a_100000184570_100000748579 [0,0,0,0,0,0|2,1,0]=3 440 B12R1.51 CSCC(=O)CCn1cccc1 1458a_100000184570_200000035178 [0,0,0,0,0,0|4,0,0]=4 441 B12R1.51 CSCC(=O)CCn1cccn1 1458a_100000184570_100000685285 [0,0,0,0,0,0|4,0,0]=4 442 B12R1.51 CSCC(=O)NCc1ccc[nH]1 11a_100000764082_100000184570 [0,0,0,0,0,0|4,0,0]=4 443 B12R1.51 CSCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000184570 [0,0,0,0,0,0|4,0,0]=4 444 B12R1.51 CSCC(=O)NCc1ccc[nH]1 527a_100000764082_100000184570 [0,0,0,0,0,0|4,0,0]=4 445 B12R1.51 CSCC(=O)NCc1ccco1 11a_100000185738_100000184570 [0,0,0,0,0,0|3,0,0]=3 446 B12R1.51 CSCC(=O)NCc1ccco1 1626a_100000185738_100000184570 [0,0,0,0,0,0|3,0,0]=3 447 B12R1.51 CSCC(=O)NCc1ccco1 240690a_100000185738_100000184570 [0,0,0,0,0,0|3,0,0]=3 448 B12R1.51 CSCC(=O)NCc1ccco1 527a_100000185738_100000184570 [0,0,0,0,0,0|3,0,0]=3 449 B12R1.51 CSCC(=O)NCc1ccco1 62a_100000183421_200000210301 [0,0,0,0,0,0|3,0,0]=3 450 B12R1.51 CSCC(=O)NCc1ccco1 62a_200000210301_100000183421 [0,0,0,0,0,0|3,0,0]=3 451 B12R1.51 CSCC(=O)NCc1cccs1 11a_100000211653_100000184570 [0,0,0,0,0,0|3,1,0]=4 452 B12R1.51 CSCC(=O)NCc1cccs1 1626a_100000211653_100000184570 [0,0,0,0,0,0|3,1,0]=4 453 B12R1.51 CSCC(=O)NCc1cccs1 240690a_100000211653_100000184570 [0,0,0,0,0,0|3,1,0]=4 454 B12R1.51 CSCC(=O)NCc1cccs1 527a_100000211653_100000184570 [0,0,0,0,0,0|3,1,0]=4 455 B12R1.51 CSCC(=O)NCc1cccs1 62a_100000182718_200000210301 [0,0,0,0,0,0|3,1,0]=4 456 B12R1.51 CSCC(=O)NCc1cccs1 62a_200000210301_100000182718 [0,0,0,0,0,0|3,1,0]=4 457 B12R1.51 CSCC(=O)NCc1cnco1 11a_100020634212_100000184570 [0,0,0,0,0,0|4,0,0]=4 458 B12R1.51 CSCC(=O)NCc1cnco1 240690a_100020634212_100000184570 [0,0,0,0,0,0|4,0,0]=4 459 B12R1.51 CSCC(=O)NCc1cnco1 527a_100020634212_100000184570 [0,0,0,0,0,0|4,0,0]=4 460 B12R1.51 CSCC(=O)NCc1ncco1 11a_100016994969_100000184570 [0,0,0,0,0,0|4,0,0]=4 461 B12R1.51 CSCC(=O)NCc1ncco1 1626a_100016994969_100000184570 [0,0,0,0,0,0|4,0,0]=4 462 B12R1.51 CSCC(=O)NCc1ncco1 240690a_100016994969_100000184570 [0,0,0,0,0,0|4,0,0]=4 463 B12R1.51 CSCC(=O)NCc1ncco1 527a_100016994969_100000184570 [0,0,0,0,0,0|4,0,0]=4 464 B12R1.51 N#CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100011214920 [0,0,0,0,0,0|3,0,1]=4 465 B12R1.51 N#CCC(=O)CCc1ccco1 1458a_100000185103_100011214920 [0,0,0,0,0,0|2,0,1]=3 466 B12R1.51 N#CCC(=O)CCc1cccs1 1458a_100000185280_100011214920 [0,0,0,0,0,0|2,1,1]=4 467 B12R1.51 N#CCC(=O)CCc1cccs1 1458a_100051588842_100000748579 [0,0,0,0,0,0|2,1,1]=4 468 B12R1.51 N#CCC(=O)NCc1ccco1 1626a_100000185738_100051588842 [0,0,0,0,0,0|3,0,1]=4 469 B12R1.51 N#CCC(=O)NCc1ccco1 240690a_100000185738_100051588842 [0,0,0,0,0,0|3,0,1]=4 470 B12R1.51 O=C(C=CBr)CCc1cccs1 1458a_100016273825_100000748579 [0,0,0,0,0,0|2,1,1]=4 471 B12R1.51 O=C(C=CBr)NCc1ccco1 1626a_100000185738_100016273825 [0,0,0,0,0,0|3,0,1]=4 472 B12R1.51 O=C(C=CBr)NCc1ccco1 240690a_100000185738_100016273825 [0,0,0,0,0,0|3,0,1]=4 473 B12R1.51 O=C(C=CCl)CCc1cccs1 1458a_200016279998_100000748579 [0,0,0,0,0,0|2,1,1]=4 474 B12R1.51 O=C(C=CCl)NCc1ccco1 11a_100000185738_200016279998 [0,0,0,0,0,0|3,0,1]=4 475 B12R1.51 O=C(C=CCl)NCc1ccco1 1626a_100000185738_200016279998 [0,0,0,0,0,0|3,0,1]=4 476 B12R1.51 O=C(C=CCl)NCc1ccco1 240690a_100000185738_200016279998 [0,0,0,0,0,0|3,0,1]=4 477 B12R1.51 O=C(C=CI)CCc1cccs1 1458a_100016256311_100000748579 [0,0,0,0,0,0|2,1,1]=4 478 B12R1.51 O=C(C=CI)NCc1ccco1 1626a_100000185738_100016256311 [0,0,0,0,0,0|3,0,1]=4 479 B12R1.51 O=C(CCF)CCc1cc[nH]c1 1458a_200000093579_100011217306 [0,0,0,0,0,0|4,0,0]=4 480 B12R1.51 O=C(CCF)CCc1ccc[nH]1 1458a_200011998680_100011217306 [0,0,0,0,0,0|3,0,0]=3 481 B12R1.51 O=C(CCF)CCc1ccco1 1458a_100000185103_100011217306 [0,0,0,0,0,0|2,0,0]=2 482 B12R1.51 O=C(CCF)CCc1cccs1 1458a_100000185280_100011217306 [0,0,0,0,0,0|2,1,0]=3 483 B12R1.51 O=C(CCF)CCc1ccsc1 1458a_100000195497_100011217306 [0,0,0,0,0,0|4,0,0]=4 484 B12R1.51 O=C(CCF)CCc1cnc[nH]1 1458a_100000044180_100011217306 [0,0,0,0,0,0|4,0,0]=4 485 B12R1.51 O=C(CCF)CCc1cncs1 1458a_100012184922_100011217306 [0,0,0,0,0,0|3,1,0]=4 486 B12R1.51 O=C(CCF)CCc1ncc[nH]1 1458a_100000722789_100011217306 [0,0,0,0,0,0|4,0,0]=4 487 B12R1.51 O=C(CCF)CCc1nccs1 1458a_100000742873_100011217306 [0,0,0,0,0,0|3,1,0]=4 488 B12R1.51 O=C(CCF)CCn1cccc1 1458a_100011196273_100011217306 [0,0,0,0,0,0|4,0,0]=4 489 B12R1.51 O=C(CCF)CCn1cccn1 1458a_100000242649_100011217306 [0,0,0,0,0,0|4,0,0]=4 490 B12R1.51 O=C(CCO)CCc1c[nH]cn1 1458a_100011216618_100020628418 [0,0,0,0,0,0|4,0,0]=4 491 B12R1.51 O=C(CCO)CCc1cc[nH]c1 1458a_200000093579_100000211926 [0,0,0,0,0,0|4,0,0]=4 492 B12R1.51 O=C(CCO)CCc1ccc[nH]1 1458a_200011998680_100000211926 [0,0,0,0,0,0|3,0,0]=3 493 B12R1.51 O=C(CCO)CCc1ccco1 1458a_100000185103_100000211926 [0,0,0,0,0,0|2,0,0]=2 494 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100000185280_100000211926 [0,0,0,0,0,0|2,1,0]=3 495 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100011216618_100000748579 [0,0,0,0,0,0|2,1,0]=3 496 B12R1.51 O=C(CCO)CCc1ccsc1 1458a_100000195497_100000211926 [0,0,0,0,0,0|4,0,0]=4 497 B12R1.51 O=C(CCO)CCc1cnc[nH]1 1458a_100000044180_100000211926 [0,0,0,0,0,0|4,0,0]=4 498 B12R1.51 O=C(CCO)CCc1cncs1 1458a_100012184922_100000211926 [0,0,0,0,0,0|3,1,0]=4 499 B12R1.51 O=C(CCO)CCc1ncc[nH]1 1458a_100000722789_100000211926 [0,0,0,0,0,0|4,0,0]=4 500 B12R1.51 O=C(CCO)CCc1nccs1 1458a_100000742873_100000211926 [0,0,0,0,0,0|3,1,0]=4 501 B12R1.51 O=C(CCO)CCn1cccc1 1458a_100011196273_100000211926 [0,0,0,0,0,0|4,0,0]=4 502 B12R1.51 O=C(CCO)CCn1cccc1 1458a_100011216618_200000035178 [0,0,0,0,0,0|4,0,0]=4 503 B12R1.51 O=C(CCO)CCn1cccn1 1458a_100000242649_100000211926 [0,0,0,0,0,0|4,0,0]=4 504 B12R1.51 O=C(CCO)CCn1cccn1 1458a_100011216618_100000685285 [0,0,0,0,0,0|4,0,0]=4 505 B12R1.51 O=C(CCO)NCc1ccc[nH]1 240690a_100000764082_100011216618 [0,0,0,0,0,0|4,0,0]=4 506 B12R1.51 O=C(CCO)NCc1ccco1 240690a_100000185738_100011216618 [0,0,0,0,0,0|3,0,0]=3 507 B12R1.51 O=C(CCO)NCc1cccs1 240690a_100000211653_100011216618 [0,0,0,0,0,0|3,1,0]=4 508 B12R1.51 O=C(CCO)NCc1cnco1 240690a_100020634212_100011216618 [0,0,0,0,0,0|4,0,0]=4 509 B12R1.51 O=C(CCO)NCc1ncco1 240690a_100016994969_100011216618 [0,0,0,0,0,0|4,0,0]=4 510 B12R1.51 O=C(CSc1ccco1)NCO 62a_100000185155_100009814098 [0,0,0,0,0,0|3,0,0]=3 511 B12R1.51 O=C(CSc1ccco1)NCO 62a_100009814098_100000185155 [0,0,0,0,0,0|3,0,0]=3 512 B12R1.51 O=C(CSc1cccs1)NCO 62a_100000185155_100011215356 [0,0,0,0,0,0|3,1,0]=4 513 B12R1.51 O=C(CSc1cccs1)NCO 62a_100011215356_100000185155 [0,0,0,0,0,0|3,1,0]=4 514 B12R1.51 O=C(CSc1cnco1)NCO 62a_100000185155_100020591547 [0,0,0,0,0,0|4,0,0]=4 515 B12R1.51 O=C(CSc1cnco1)NCO 62a_100020591547_100000185155 [0,0,0,0,0,0|4,0,0]=4 516 B12R1.51 O=C(CSc1ncco1)NCO 62a_100000185155_100011787736 [0,0,0,0,0,0|4,0,0]=4 517 B12R1.51 O=C(CSc1ncco1)NCO 62a_100011787736_100000185155 [0,0,0,0,0,0|4,0,0]=4 518 B12R1.51 [13CH3]NCC(=O)NCc1ccco1 2230a_100000741066_200025704644 [0,0,0,0,0,0|3,0,0]=3 519 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_100000183421_200025704644 [0,0,0,0,0,0|3,0,0]=3 520 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_200025704644_100000183421 [0,0,0,0,0,0|3,0,0]=3 521 B12R1.51 [13CH3]SCC(=O)NCc1cccs1 62a_100000182718_200025704644 [0,0,0,0,0,0|3,1,0]=4 522 B12R1.51 [13CH3]SCC(=O)NCc1cccs1 62a_200025704644_100000182718 [0,0,0,0,0,0|3,1,0]=4 523 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [1,0,0,0,0,0|2,0,0]=3 524 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [1,0,0,0,0,0|2,0,0]=3 525 B11R1.4 CC/C=C\CSc1cccs1 62a_100011215356_100103147603 [1,0,0,0,0,0|2,1,0]=4 526 B11R1.4 CC/C=C\CSc1cccs1 62a_100103147603_100011215356 [1,0,0,0,0,0|2,1,0]=4 527 B11R1.4 CC/C=C\CSc1cnco1 62a_100020591547_100103147603 [1,0,0,0,0,0|3,0,0]=4 528 B11R1.4 CC/C=C\CSc1cnco1 62a_100103147603_100020591547 [1,0,0,0,0,0|3,0,0]=4 529 B11R1.4 CC/C=C\CSc1ncco1 62a_100011787736_100103147603 [1,0,0,0,0,0|3,0,0]=4 530 B11R1.4 CC/C=C\CSc1ncco1 62a_100103147603_100011787736 [1,0,0,0,0,0|3,0,0]=4 531 B11R1.4 CCC#CCSc1ccco1 62a_100009813939_100009814098 [1,0,0,0,0,0|2,0,1]=4 532 B11R1.4 CCC#CCSc1ccco1 62a_100009814098_100009813939 [1,0,0,0,0,0|2,0,1]=4 533 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [1,0,0,0,0,0|2,0,1]=4 534 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [1,0,0,0,0,0|2,0,1]=4 535 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [1,0,0,0,0,0|2,0,1]=4 536 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [1,0,0,0,0,0|2,0,1]=4 537 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [1,0,0,0,0,0|2,0,1]=4 538 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [1,0,0,0,0,0|2,0,1]=4 539 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [1,0,0,0,0,0|2,0,1]=4 540 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [1,0,0,0,0,0|2,0,0]=3 541 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [1,0,0,0,0,0|2,0,0]=3 542 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [1,0,0,0,0,0|2,1,0]=4 543 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [1,0,0,0,0,0|2,1,0]=4 544 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [1,0,0,0,0,0|2,1,0]=4 545 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [1,0,0,0,0,0|2,1,0]=4 546 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [1,0,0,0,0,0|2,1,0]=4 547 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [1,0,0,0,0,0|2,1,0]=4 548 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [1,0,0,0,0,0|2,1,0]=4 549 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [1,0,0,0,0,0|1,1,1]=4 550 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [1,0,0,0,0,0|0,1,1]=3 551 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [1,0,0,0,0,0|0,1,1]=3 552 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [1,0,0,0,0,0|0,1,1]=3 553 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [1,0,0,0,0,0|2,0,1]=4 554 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [1,0,0,0,0,0|2,0,1]=4 555 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [1,0,0,0,0,0|2,0,1]=4 556 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [1,0,0,0,0,0|2,0,1]=4 557 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [1,0,0,0,0,0|2,0,1]=4 558 B11R1.4 CCOCCCn1cccn1 34a_100000753614_100000210202 [1,0,0,0,0,0|2,0,1]=4 559 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [1,0,0,0,0,0|1,0,1]=3 560 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [1,0,0,0,0,0|1,0,1]=3 561 B11R1.4 CCOCCSc1cccs1 62a_100000210147_100011215356 [1,0,0,0,0,0|1,1,1]=4 562 B11R1.4 CCOCCSc1cccs1 62a_100011215356_100011215890 [1,0,0,0,0,0|1,1,1]=4 563 B11R1.4 CCOCCSc1cnco1 62a_100000210147_100020591547 [1,0,0,0,0,0|2,0,1]=4 564 B11R1.4 CCOCCSc1cnco1 62a_100020591547_100011215890 [1,0,0,0,0,0|2,0,1]=4 565 B11R1.4 CCOCCSc1ncco1 62a_100000210147_100011787736 [1,0,0,0,0,0|2,0,1]=4 566 B11R1.4 CCOCCSc1ncco1 62a_100011787736_100011215890 [1,0,0,0,0,0|2,0,1]=4 567 B11R1.4 CCOCSCc1ncco1 62a_100000739092_103436540062 [1,0,0,0,0,0|2,0,1]=4 568 B11R1.4 CCOCSCc1ncco1 62a_103436540062_100000739092 [1,0,0,0,0,0|2,0,1]=4 569 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [1,0,0,0,0,0|0,2,1]=4 570 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [1,0,0,0,0,0|0,2,1]=4 571 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [1,0,0,0,0,0|1,1,1]=4 572 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [1,0,0,0,0,0|1,1,1]=4 573 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [1,0,0,0,0,0|3,0,0]=4 574 B11R1.4 CSCNCCc1ccco1 2230a_100000694680_100011218213 [1,0,0,0,0,0|3,0,0]=4 575 B11R1.4 CSCNCCc1ccco1 34a_100000694680_100011218213 [1,0,0,0,0,0|3,0,0]=4 576 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [1,0,0,0,0,0|3,0,0]=4 577 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [1,0,0,0,0,0|3,0,0]=4 578 B11R1.4 FCOCCCc1cccs1 34a_100011713143_100015361967 [1,0,0,0,0,0|1,1,1]=4 579 B11R1.4 FCOCCCc1cccs1 7a_100011713143_100015361967 [1,0,0,0,0,0|1,1,1]=4 580 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [1,0,0,0,0,0|3,0,0]=4 581 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [1,0,0,0,0,0|3,0,0]=4 582 B11R1.25 C#CC(=O)CCc1cccs1 1458a_100000211873_100000748579 [1,0,0,0,0,0|0,1,2]=4 583 B11R1.25 C=CC(=O)CCc1cccs1 1458a_100000185746_100000748579 [1,0,0,0,0,0|0,1,2]=4 584 B11R1.25 C=CC(=O)NCc1ccco1 1626a_100000185738_100000185746 [1,0,0,0,0,0|1,0,2]=4 585 B11R1.25 C=CC(=O)NCc1ccco1 240690a_100000185738_200121576911 [1,0,0,0,0,0|1,0,2]=4 586 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [1,0,0,0,0,0|2,0,1]=4 587 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [1,0,0,0,0,0|2,0,1]=4 588 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [1,0,0,0,0,0|0,1,2]=4 589 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [1,0,0,0,0,0|2,0,0]=3 590 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [1,0,0,0,0,0|2,0,0]=3 591 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [1,0,0,0,0,0|1,0,0]=2 592 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [1,0,0,0,0,0|0,0,0]=1 593 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [1,0,0,0,0,0|0,1,0]=2 594 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [1,0,0,0,0,0|0,1,0]=2 595 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [1,0,0,0,0,0|2,0,0]=3 596 B11R1.25 CCC(=O)CCc1cn[nH]c1 1458a_100000210414_100000743252 [1,0,0,0,0,0|3,0,0]=4 597 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [1,0,0,0,0,0|2,0,0]=3 598 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [1,0,0,0,0,0|1,1,0]=3 599 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [1,0,0,0,0,0|2,0,0]=3 600 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [1,0,0,0,0,0|1,1,0]=3 601 B11R1.25 CCC(=O)CCn1cccc1 1458a_100000210414_200000035178 [1,0,0,0,0,0|2,0,0]=3 602 B11R1.25 CCC(=O)CCn1cccc1 1458a_100011196273_100000210202 [1,0,0,0,0,0|2,0,0]=3 603 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [1,0,0,0,0,0|2,0,0]=3 604 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [1,0,0,0,0,0|2,0,0]=3 605 B11R1.25 CCC(=O)CCn1ccnc1 1458a_100000176952_100000210202 [1,0,0,0,0,0|3,0,0]=4 606 B11R1.25 CCC(=O)CCn1ccnc1 1458a_100000210414_100000702546 [1,0,0,0,0,0|3,0,0]=4 607 B11R1.25 CCC(=O)CCn1ccnn1 1458a_100000741450_100000210202 [1,0,0,0,0,0|3,0,0]=4 608 B11R1.25 CCC(=O)CCn1cncn1 1458a_100000210414_100000731791 [1,0,0,0,0,0|3,0,0]=4 609 B11R1.25 CCC(=O)CCn1cncn1 1458a_100000242768_100000210202 [1,0,0,0,0,0|3,0,0]=4 610 B11R1.25 CCC(=O)COc1ccsc1 7a_100000106738_100000747405 [1,0,0,0,0,0|3,0,0]=4 611 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000747405_100000756875 [1,0,0,0,0,0|3,0,0]=4 612 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747405 [1,0,0,0,0,0|3,0,0]=4 613 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000062575_100000747405 [1,0,0,0,0,0|3,0,0]=4 614 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000747405_100000062575 [1,0,0,0,0,0|3,0,0]=4 615 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [1,0,0,0,0,0|1,0,0]=2 616 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [1,0,0,0,0,0|1,0,0]=2 617 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [1,0,0,0,0,0|1,1,0]=3 618 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [1,0,0,0,0,0|1,1,0]=3 619 B11R1.25 CCC(=O)CSc1ccoc1 62a_100000747405_100011215275 [1,0,0,0,0,0|3,0,0]=4 620 B11R1.25 CCC(=O)CSc1ccoc1 62a_100011215275_100000747405 [1,0,0,0,0,0|3,0,0]=4 621 B11R1.25 CCC(=O)CSc1ccon1 62a_100000747405_100009818083 [1,0,0,0,0,0|3,0,0]=4 622 B11R1.25 CCC(=O)CSc1ccon1 62a_100009818083_100000747405 [1,0,0,0,0,0|3,0,0]=4 623 B11R1.25 CCC(=O)CSc1ccsc1 62a_100000738268_100000747405 [1,0,0,0,0,0|3,0,0]=4 624 B11R1.25 CCC(=O)CSc1ccsc1 62a_100000747405_100000738268 [1,0,0,0,0,0|3,0,0]=4 625 B11R1.25 CCC(=O)CSc1ccsn1 62a_100000747405_100009818082 [1,0,0,0,0,0|3,0,0]=4 626 B11R1.25 CCC(=O)CSc1ccsn1 62a_100009818082_100000747405 [1,0,0,0,0,0|3,0,0]=4 627 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [1,0,0,0,0,0|2,0,0]=3 628 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [1,0,0,0,0,0|2,0,0]=3 629 B11R1.25 CCC(=O)CSc1cncs1 62a_100000747405_100011934649 [1,0,0,0,0,0|2,1,0]=4 630 B11R1.25 CCC(=O)CSc1cncs1 62a_100011934649_100000747405 [1,0,0,0,0,0|2,1,0]=4 631 B11R1.25 CCC(=O)CSc1cscn1 62a_100000747405_100000751502 [1,0,0,0,0,0|3,0,0]=4 632 B11R1.25 CCC(=O)CSc1cscn1 62a_100000751502_100000747405 [1,0,0,0,0,0|3,0,0]=4 633 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100000747405_100025796157 [1,0,0,0,0,0|3,0,0]=4 634 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100025796157_100000747405 [1,0,0,0,0,0|3,0,0]=4 635 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [1,0,0,0,0,0|2,0,0]=3 636 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [1,0,0,0,0,0|2,0,0]=3 637 B11R1.25 CCC(=O)CSc1nccs1 62a_100000211983_100000747405 [1,0,0,0,0,0|2,1,0]=4 638 B11R1.25 CCC(=O)CSc1nccs1 62a_100000747405_100000211983 [1,0,0,0,0,0|2,1,0]=4 639 B11R1.25 CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210414 [1,0,0,0,0,0|3,0,0]=4 640 B11R1.25 CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210414 [1,0,0,0,0,0|3,0,0]=4 641 B11R1.25 CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210414 [1,0,0,0,0,0|3,0,0]=4 642 B11R1.25 CCC(=O)NCc1cc[nH]n1 11a_100000739516_100000210414 [1,0,0,0,0,0|3,0,0]=4 643 B11R1.25 CCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000210414 [1,0,0,0,0,0|3,0,0]=4 644 B11R1.25 CCC(=O)NCc1cc[nH]n1 527a_100000739516_100000210414 [1,0,0,0,0,0|3,0,0]=4 645 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [1,0,0,0,0,0|2,0,0]=3 646 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [1,0,0,0,0,0|2,0,0]=3 647 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [1,0,0,0,0,0|2,0,0]=3 648 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [1,0,0,0,0,0|1,0,0]=2 649 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [1,0,0,0,0,0|1,0,0]=2 650 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [1,0,0,0,0,0|1,0,0]=2 651 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [1,0,0,0,0,0|1,0,0]=2 652 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [1,0,0,0,0,0|1,1,0]=3 653 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [1,0,0,0,0,0|1,1,0]=3 654 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [1,0,0,0,0,0|1,1,0]=3 655 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [1,0,0,0,0,0|1,1,0]=3 656 B11R1.25 CCC(=O)NCc1ccoc1 11a_100015206860_100000210414 [1,0,0,0,0,0|3,0,0]=4 657 B11R1.25 CCC(=O)NCc1ccoc1 1626a_100015206860_100000210414 [1,0,0,0,0,0|3,0,0]=4 658 B11R1.25 CCC(=O)NCc1ccoc1 240690a_100015206860_100000210414 [1,0,0,0,0,0|3,0,0]=4 659 B11R1.25 CCC(=O)NCc1ccoc1 527a_100015206860_100000210414 [1,0,0,0,0,0|3,0,0]=4 660 B11R1.25 CCC(=O)NCc1ccon1 11a_100000688301_100000210414 [1,0,0,0,0,0|3,0,0]=4 661 B11R1.25 CCC(=O)NCc1ccon1 240690a_100000688301_100000210414 [1,0,0,0,0,0|3,0,0]=4 662 B11R1.25 CCC(=O)NCc1ccon1 527a_100000688301_100000210414 [1,0,0,0,0,0|3,0,0]=4 663 B11R1.25 CCC(=O)NCc1ccsc1 11a_100000186416_100000210414 [1,0,0,0,0,0|3,0,0]=4 664 B11R1.25 CCC(=O)NCc1ccsc1 1626a_100000186416_100000210414 [1,0,0,0,0,0|3,0,0]=4 665 B11R1.25 CCC(=O)NCc1ccsc1 240690a_100000186416_100000210414 [1,0,0,0,0,0|3,0,0]=4 666 B11R1.25 CCC(=O)NCc1ccsc1 527a_100000186416_100000210414 [1,0,0,0,0,0|3,0,0]=4 667 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [1,0,0,0,0,0|2,0,0]=3 668 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [1,0,0,0,0,0|2,0,0]=3 669 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [1,0,0,0,0,0|2,0,0]=3 670 B11R1.25 CCC(=O)NCc1cncs1 11a_100016987365_100000210414 [1,0,0,0,0,0|2,1,0]=4 671 B11R1.25 CCC(=O)NCc1cncs1 240690a_100016987365_100000210414 [1,0,0,0,0,0|2,1,0]=4 672 B11R1.25 CCC(=O)NCc1cncs1 527a_100016987365_100000210414 [1,0,0,0,0,0|2,1,0]=4 673 B11R1.25 CCC(=O)NCc1cocn1 11a_100015188801_100000210414 [1,0,0,0,0,0|3,0,0]=4 674 B11R1.25 CCC(=O)NCc1cocn1 240690a_100015188801_100000210414 [1,0,0,0,0,0|3,0,0]=4 675 B11R1.25 CCC(=O)NCc1cocn1 527a_100015188801_100000210414 [1,0,0,0,0,0|3,0,0]=4 676 B11R1.25 CCC(=O)NCc1cscn1 11a_100015185402_100000210414 [1,0,0,0,0,0|3,0,0]=4 677 B11R1.25 CCC(=O)NCc1cscn1 1626a_100015185402_100000210414 [1,0,0,0,0,0|3,0,0]=4 678 B11R1.25 CCC(=O)NCc1cscn1 240690a_100015185402_100000210414 [1,0,0,0,0,0|3,0,0]=4 679 B11R1.25 CCC(=O)NCc1cscn1 527a_100015185402_100000210414 [1,0,0,0,0,0|3,0,0]=4 680 B11R1.25 CCC(=O)NCc1ncc[nH]1 11a_100000754540_100000210414 [1,0,0,0,0,0|3,0,0]=4 681 B11R1.25 CCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000210414 [1,0,0,0,0,0|3,0,0]=4 682 B11R1.25 CCC(=O)NCc1ncc[nH]1 527a_100000754540_100000210414 [1,0,0,0,0,0|3,0,0]=4 683 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [1,0,0,0,0,0|2,0,0]=3 684 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [1,0,0,0,0,0|2,0,0]=3 685 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [1,0,0,0,0,0|2,0,0]=3 686 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [1,0,0,0,0,0|2,0,0]=3 687 B11R1.25 CCC(=O)NCc1nccs1 11a_100000740555_100000210414 [1,0,0,0,0,0|2,1,0]=4 688 B11R1.25 CCC(=O)NCc1nccs1 1626a_100000740555_100000210414 [1,0,0,0,0,0|2,1,0]=4 689 B11R1.25 CCC(=O)NCc1nccs1 240690a_100000740555_100000210414 [1,0,0,0,0,0|2,1,0]=4 690 B11R1.25 CCC(=O)NCc1nccs1 527a_100000740555_100000210414 [1,0,0,0,0,0|2,1,0]=4 691 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [1,0,0,0,0,0|2,0,1]=4 692 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [1,0,0,0,0,0|2,0,1]=4 693 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [1,0,0,0,0,0|2,0,1]=4 694 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [1,0,0,0,0,0|2,0,1]=4 695 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [1,0,0,0,0,0|2,0,1]=4 696 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [1,0,0,0,0,0|2,0,1]=4 697 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [1,0,0,0,0,0|2,0,1]=4 698 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [1,0,0,0,0,0|1,0,2]=4 699 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [1,0,0,0,0,0|1,0,2]=4 700 B11R1.25 CCN(C)CCc1cccs1 2230a_100000225621_100000748579 [1,0,0,0,0,0|2,1,0]=4 701 B11R1.25 CCN(C)CCc1cccs1 269982a_100000225621_100000748579 [1,0,0,0,0,0|2,1,0]=4 702 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [1,0,0,0,0,0|2,0,1]=4 703 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [1,0,0,0,0,0|2,0,1]=4 704 B11R1.25 CNC(=O)CCc1cc[nH]c1 11a_106832991635_200000093579 [1,0,0,0,0,0|3,0,0]=4 705 B11R1.25 CNC(=O)CCc1cc[nH]c1 240690a_100102657272_200000093579 [1,0,0,0,0,0|3,0,0]=4 706 B11R1.25 CNC(=O)CCc1cc[nH]c1 527a_100102657272_200000093579 [1,0,0,0,0,0|3,0,0]=4 707 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [1,0,0,0,0,0|2,0,0]=3 708 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [1,0,0,0,0,0|2,0,0]=3 709 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [1,0,0,0,0,0|2,0,0]=3 710 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [1,0,0,0,0,0|1,0,0]=2 711 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [1,0,0,0,0,0|1,0,0]=2 712 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [1,0,0,0,0,0|1,0,0]=2 713 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [1,0,0,0,0,0|1,1,0]=3 714 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [1,0,0,0,0,0|1,1,0]=3 715 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [1,0,0,0,0,0|1,1,0]=3 716 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [1,0,0,0,0,0|1,1,0]=3 717 B11R1.25 CNC(=O)CCc1ccsc1 11a_106832991635_100000195497 [1,0,0,0,0,0|3,0,0]=4 718 B11R1.25 CNC(=O)CCc1ccsc1 1626a_100102657272_100000195497 [1,0,0,0,0,0|3,0,0]=4 719 B11R1.25 CNC(=O)CCc1ccsc1 240690a_100102657272_100000195497 [1,0,0,0,0,0|3,0,0]=4 720 B11R1.25 CNC(=O)CCc1ccsc1 527a_100102657272_100000195497 [1,0,0,0,0,0|3,0,0]=4 721 B11R1.25 CNC(=O)CCc1cnc[nH]1 240690a_100102657272_100000044180 [1,0,0,0,0,0|3,0,0]=4 722 B11R1.25 CNC(=O)CCc1cnc[nH]1 527a_100102657272_100000044180 [1,0,0,0,0,0|3,0,0]=4 723 B11R1.25 CNC(=O)CCc1cncs1 11a_106832991635_100012184922 [1,0,0,0,0,0|2,1,0]=4 724 B11R1.25 CNC(=O)CCc1cncs1 1626a_100102657272_100012184922 [1,0,0,0,0,0|2,1,0]=4 725 B11R1.25 CNC(=O)CCc1cncs1 240690a_100102657272_100012184922 [1,0,0,0,0,0|2,1,0]=4 726 B11R1.25 CNC(=O)CCc1cncs1 527a_100102657272_100012184922 [1,0,0,0,0,0|2,1,0]=4 727 B11R1.25 CNC(=O)CCc1ncc[nH]1 240690a_100102657272_100000722789 [1,0,0,0,0,0|3,0,0]=4 728 B11R1.25 CNC(=O)CCc1ncc[nH]1 527a_100102657272_100000722789 [1,0,0,0,0,0|3,0,0]=4 729 B11R1.25 CNC(=O)CCc1nccs1 11a_106832991635_100000742873 [1,0,0,0,0,0|2,1,0]=4 730 B11R1.25 CNC(=O)CCc1nccs1 1626a_100102657272_100000742873 [1,0,0,0,0,0|2,1,0]=4 731 B11R1.25 CNC(=O)CCc1nccs1 240690a_100102657272_100000742873 [1,0,0,0,0,0|2,1,0]=4 732 B11R1.25 CNC(=O)CCc1nccs1 527a_100102657272_100000742873 [1,0,0,0,0,0|2,1,0]=4 733 B11R1.25 CNC(=O)CCn1cccc1 11a_106832991635_100011196273 [1,0,0,0,0,0|3,0,0]=4 734 B11R1.25 CNC(=O)CCn1cccc1 1626a_100102657272_100011196273 [1,0,0,0,0,0|3,0,0]=4 735 B11R1.25 CNC(=O)CCn1cccc1 527a_100102657272_100011196273 [1,0,0,0,0,0|3,0,0]=4 736 B11R1.25 CNC(=O)CCn1cccn1 11a_106832991635_100000242649 [1,0,0,0,0,0|3,0,0]=4 737 B11R1.25 CNC(=O)CCn1cccn1 1626a_100102657272_100000242649 [1,0,0,0,0,0|3,0,0]=4 738 B11R1.25 CNC(=O)CCn1cccn1 240690a_100102657272_100000242649 [1,0,0,0,0,0|3,0,0]=4 739 B11R1.25 CNC(=O)CCn1cccn1 527a_100102657272_100000242649 [1,0,0,0,0,0|3,0,0]=4 740 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [1,0,0,0,0,0|2,0,0]=3 741 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [1,0,0,0,0,0|2,0,0]=3 742 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [1,0,0,0,0,0|2,1,0]=4 743 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [1,0,0,0,0,0|2,1,0]=4 744 B11R1.25 CNC(=O)CSc1cnco1 62a_100000183359_100020591547 [1,0,0,0,0,0|3,0,0]=4 745 B11R1.25 CNC(=O)CSc1cnco1 62a_100020591547_100000183359 [1,0,0,0,0,0|3,0,0]=4 746 B11R1.25 CNC(=O)CSc1ncco1 62a_100000183359_100011787736 [1,0,0,0,0,0|3,0,0]=4 747 B11R1.25 CNC(=O)CSc1ncco1 62a_100011787736_100000183359 [1,0,0,0,0,0|3,0,0]=4 748 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100102657272 [1,0,0,0,0,0|3,0,0]=4 749 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100102657272_100000764082 [1,0,0,0,0,0|3,0,0]=4 750 B11R1.25 CNC(=O)NCc1ccc[nH]1 512a_106832991638_100000764082 [1,0,0,0,0,0|3,0,0]=4 751 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [1,0,0,0,0,0|2,0,0]=3 752 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [1,0,0,0,0,0|2,0,0]=3 753 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [1,0,0,0,0,0|2,0,0]=3 754 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [1,0,0,0,0,0|2,0,0]=3 755 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [1,0,0,0,0,0|2,0,0]=3 756 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [1,0,0,0,0,0|2,1,0]=4 757 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [1,0,0,0,0,0|2,1,0]=4 758 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [1,0,0,0,0,0|2,1,0]=4 759 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [1,0,0,0,0,0|2,1,0]=4 760 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [1,0,0,0,0,0|2,1,0]=4 761 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [1,0,0,0,0,0|2,1,0]=4 762 B11R1.25 CNC(=O)NCc1cnco1 2708a_100020634212_106832991635 [1,0,0,0,0,0|3,0,0]=4 763 B11R1.25 CNC(=O)NCc1cnco1 2708a_100102657272_100020634212 [1,0,0,0,0,0|3,0,0]=4 764 B11R1.25 CNC(=O)NCc1cnco1 273464a_100020634212_100102657272 [1,0,0,0,0,0|3,0,0]=4 765 B11R1.25 CNC(=O)NCc1cnco1 273464a_100102657272_100020634212 [1,0,0,0,0,0|3,0,0]=4 766 B11R1.25 CNC(=O)NCc1cnco1 512a_100020634212_100102657272 [1,0,0,0,0,0|3,0,0]=4 767 B11R1.25 CNC(=O)NCc1cnco1 512a_106832991638_100020634212 [1,0,0,0,0,0|3,0,0]=4 768 B11R1.25 CNC(=O)NCc1ncco1 2708a_100016994969_106832991635 [1,0,0,0,0,0|3,0,0]=4 769 B11R1.25 CNC(=O)NCc1ncco1 2708a_100102657272_100016994969 [1,0,0,0,0,0|3,0,0]=4 770 B11R1.25 CNC(=O)NCc1ncco1 273464a_100016994969_100102657272 [1,0,0,0,0,0|3,0,0]=4 771 B11R1.25 CNC(=O)NCc1ncco1 273464a_100102657272_100016994969 [1,0,0,0,0,0|3,0,0]=4 772 B11R1.25 CNC(=O)NCc1ncco1 512a_100016994969_100102657272 [1,0,0,0,0,0|3,0,0]=4 773 B11R1.25 CNC(=O)NCc1ncco1 512a_106832991638_100016994969 [1,0,0,0,0,0|3,0,0]=4 774 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [1,0,0,0,0,0|2,0,1]=4 775 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [1,0,0,0,0,0|2,0,1]=4 776 B11R1.25 COC(=O)CCN1CC=CC1 269982a_100015195280_100000204255 [1,0,0,0,0,0|2,0,1]=4 777 B11R1.25 COC(=O)COc1ccsc1 34a_100000106738_100000747449 [1,0,0,0,0,0|3,0,0]=4 778 B11R1.25 COC(=O)COc1ccsc1 7a_100000106738_100000747449 [1,0,0,0,0,0|3,0,0]=4 779 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000747449_100000756875 [1,0,0,0,0,0|3,0,0]=4 780 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000756875_100000747449 [1,0,0,0,0,0|3,0,0]=4 781 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000062575_100000747449 [1,0,0,0,0,0|3,0,0]=4 782 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000747449_100000062575 [1,0,0,0,0,0|3,0,0]=4 783 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [1,0,0,0,0,0|1,0,0]=2 784 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [1,0,0,0,0,0|1,0,0]=2 785 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [1,0,0,0,0,0|1,1,0]=3 786 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [1,0,0,0,0,0|1,1,0]=3 787 B11R1.25 COC(=O)CSc1ccoc1 62a_100000747449_100011215275 [1,0,0,0,0,0|3,0,0]=4 788 B11R1.25 COC(=O)CSc1ccoc1 62a_100011215275_100000747449 [1,0,0,0,0,0|3,0,0]=4 789 B11R1.25 COC(=O)CSc1ccon1 62a_100000747449_100009818083 [1,0,0,0,0,0|3,0,0]=4 790 B11R1.25 COC(=O)CSc1ccon1 62a_100009818083_100000747449 [1,0,0,0,0,0|3,0,0]=4 791 B11R1.25 COC(=O)CSc1ccsc1 62a_100000738268_100000747449 [1,0,0,0,0,0|3,0,0]=4 792 B11R1.25 COC(=O)CSc1ccsc1 62a_100000747449_100000738268 [1,0,0,0,0,0|3,0,0]=4 793 B11R1.25 COC(=O)CSc1ccsn1 62a_100000747449_100009818082 [1,0,0,0,0,0|3,0,0]=4 794 B11R1.25 COC(=O)CSc1ccsn1 62a_100009818082_100000747449 [1,0,0,0,0,0|3,0,0]=4 795 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [1,0,0,0,0,0|2,0,0]=3 796 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [1,0,0,0,0,0|2,0,0]=3 797 B11R1.25 COC(=O)CSc1cncs1 62a_100000747449_100011934649 [1,0,0,0,0,0|2,1,0]=4 798 B11R1.25 COC(=O)CSc1cncs1 62a_100011934649_100000747449 [1,0,0,0,0,0|2,1,0]=4 799 B11R1.25 COC(=O)CSc1cscn1 62a_100000747449_100000751502 [1,0,0,0,0,0|3,0,0]=4 800 B11R1.25 COC(=O)CSc1cscn1 62a_100000751502_100000747449 [1,0,0,0,0,0|3,0,0]=4 801 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100000747449_100025796157 [1,0,0,0,0,0|3,0,0]=4 802 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100025796157_100000747449 [1,0,0,0,0,0|3,0,0]=4 803 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [1,0,0,0,0,0|2,0,0]=3 804 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [1,0,0,0,0,0|2,0,0]=3 805 B11R1.25 COC(=O)CSc1nccs1 62a_100000211983_100000747449 [1,0,0,0,0,0|2,1,0]=4 806 B11R1.25 COC(=O)CSc1nccs1 62a_100000747449_100000211983 [1,0,0,0,0,0|2,1,0]=4 807 B11R1.25 O=C(CF)CCc1cc[nH]c1 1458a_200000093579_100015361967 [1,0,0,0,0,0|3,0,0]=4 808 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [1,0,0,0,0,0|2,0,0]=3 809 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [1,0,0,0,0,0|1,0,0]=2 810 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [1,0,0,0,0,0|1,1,0]=3 811 B11R1.25 O=C(CF)CCc1ccsc1 1458a_100000195497_100015361967 [1,0,0,0,0,0|3,0,0]=4 812 B11R1.25 O=C(CF)CCc1cnc[nH]1 1458a_100000044180_100015361967 [1,0,0,0,0,0|3,0,0]=4 813 B11R1.25 O=C(CF)CCc1cncs1 1458a_100012184922_100015361967 [1,0,0,0,0,0|2,1,0]=4 814 B11R1.25 O=C(CF)CCc1ncc[nH]1 1458a_100000722789_100015361967 [1,0,0,0,0,0|3,0,0]=4 815 B11R1.25 O=C(CF)CCc1nccs1 1458a_100000742873_100015361967 [1,0,0,0,0,0|2,1,0]=4 816 B11R1.25 O=C(CF)CCn1cccc1 1458a_100011196273_100015361967 [1,0,0,0,0,0|3,0,0]=4 817 B11R1.25 O=C(CF)CCn1cccn1 1458a_100000242649_100015361967 [1,0,0,0,0,0|3,0,0]=4 818 B11R1.25 O=C(CO)CCc1c[nH]cn1 1458a_100000210174_100020628418 [1,0,0,0,0,0|3,0,0]=4 819 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [1,0,0,0,0,0|1,1,0]=3 820 B11R1.25 O=C(CO)CCn1cccc1 1458a_100000210174_200000035178 [1,0,0,0,0,0|3,0,0]=4 821 B11R1.25 O=C(CO)CCn1cccn1 1458a_100000210174_100000685285 [1,0,0,0,0,0|3,0,0]=4 822 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [1,0,0,0,0,0|3,0,0]=4 823 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [1,0,0,0,0,0|3,0,0]=4 824 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [1,0,0,0,0,0|2,0,0]=3 825 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [1,0,0,0,0,0|2,0,0]=3 826 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [1,0,0,0,0,0|2,1,0]=4 827 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [1,0,0,0,0,0|2,1,0]=4 828 B11R1.25 O=C(CO)NCc1cnco1 240690a_100020634212_100000210174 [1,0,0,0,0,0|3,0,0]=4 829 B11R1.25 O=C(CO)NCc1cnco1 527a_100020634212_100000210174 [1,0,0,0,0,0|3,0,0]=4 830 B11R1.25 O=C(CO)NCc1ncco1 240690a_100016994969_100000210174 [1,0,0,0,0,0|3,0,0]=4 831 B11R1.25 O=C(CO)NCc1ncco1 527a_100016994969_100000210174 [1,0,0,0,0,0|3,0,0]=4 832 B13R1.33 CC#CC(=O)CC(=O)c1ccco1 1458a_100000763181_100000211439 [0,1,0,0,0,0|1,0,2]=4 833 B13R1.33 CC=CC(=O)CC(=O)c1ccco1 1458a_100000210699_100000211439 [0,1,0,0,0,0|1,0,2]=4 834 B13R1.33 CC=CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210699 [0,1,0,0,0,0|2,0,1]=4 835 B13R1.33 CC=CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210699 [0,1,0,0,0,0|2,0,1]=4 836 B13R1.33 CC=CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210699 [0,1,0,0,0,0|2,0,1]=4 837 B13R1.33 CCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000211992_200011262396 [0,1,0,0,0,0|2,0,1]=4 838 B13R1.33 CCCC(=O)CC(=O)c1ccco1 1458a_100000211992_100000211439 [0,1,0,0,0,0|1,0,1]=3 839 B13R1.33 CCCC(=O)CC(=O)c1cccs1 1458a_100000211992_100000211436 [0,1,0,0,0,0|1,1,1]=4 840 B13R1.33 CCCC(=O)CC(C)n1cccn1 1458a_100011311474_100000210303 [0,1,0,0,0,0|3,0,0]=4 841 B13R1.33 CCCC(=O)NC(C)c1cccs1 11a_100000703493_100000211992 [0,1,0,0,0,0|2,1,0]=4 842 B13R1.33 CCCC(=O)NC(C)c1cccs1 1626a_100000703493_100000211992 [0,1,0,0,0,0|2,1,0]=4 843 B13R1.33 CCCC(=O)NC(C)c1cccs1 240690a_100000703493_100000211992 [0,1,0,0,0,0|2,1,0]=4 844 B13R1.33 CCCC(=O)NC(C)c1cccs1 527a_100000703493_100000211992 [0,1,0,0,0,0|2,1,0]=4 845 B13R1.33 CCCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000211992 [0,1,0,0,0,0|2,0,0]=3 846 B13R1.33 CCCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000211992 [0,1,0,0,0,0|2,0,0]=3 847 B13R1.33 CCCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000211992 [0,1,0,0,0,0|2,0,0]=3 848 B13R1.33 CCCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000211992 [0,1,0,0,0,0|2,0,0]=3 849 B13R1.33 CCNC(=O)CC(C)n1cccn1 11a_100015525214_100011311474 [0,1,0,0,0,0|3,0,0]=4 850 B13R1.33 CCNC(=O)CC(C)n1cccn1 240690a_100015525214_100011311474 [0,1,0,0,0,0|3,0,0]=4 851 B13R1.33 CCNC(=O)CC(C)n1cccn1 527a_100015525214_100011311474 [0,1,0,0,0,0|3,0,0]=4 852 B13R1.33 CCNC(=O)NC(C)c1cccs1 2708a_100000703493_100015525214 [0,1,0,0,0,0|2,1,0]=4 853 B13R1.33 CCNC(=O)NC(C)c1cccs1 2708a_100015525214_100000703493 [0,1,0,0,0,0|2,1,0]=4 854 B13R1.33 CCNC(=O)NC(C)c1cccs1 273464a_100000703493_100015525214 [0,1,0,0,0,0|2,1,0]=4 855 B13R1.33 CCNC(=O)NC(C)c1cccs1 273464a_100015525214_100000703493 [0,1,0,0,0,0|2,1,0]=4 856 B13R1.33 CCNC(=O)NC(C)c1cccs1 512a_100000703493_100015525214 [0,1,0,0,0,0|2,1,0]=4 857 B13R1.33 CCNC(=O)NC(C)c1cccs1 512a_100015525214_100000703493 [0,1,0,0,0,0|2,1,0]=4 858 B13R1.33 CCNC(=O)N[C@H](C)c1ccco1 2708a_100015525214_100160469435 [0,1,0,0,0,0|2,0,0]=3 859 B13R1.33 CCNC(=O)N[C@H](C)c1ccco1 2708a_100160469435_100015525214 [0,1,0,0,0,0|2,0,0]=3 860 B13R1.33 CCNC(=O)N[C@H](C)c1ccco1 273464a_100015525214_100160469435 [0,1,0,0,0,0|2,0,0]=3 861 B13R1.33 CCNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100015525214 [0,1,0,0,0,0|2,0,0]=3 862 B13R1.33 CCNC(=O)N[C@H](C)c1ccco1 512a_100015525214_100160469435 [0,1,0,0,0,0|2,0,0]=3 863 B13R1.33 CCNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100015525214 [0,1,0,0,0,0|2,0,0]=3 864 B13R1.33 CCOC(=O)/C=C(\C)/c1ccco1 271570a_100050291487_100009814098 [0,1,0,0,0,0|0,0,2]=3 865 B13R1.33 CCOC(=O)/C=C(\C)/c1cccs1 271570a_100050291487_100011215356 [0,1,0,0,0,0|0,1,2]=4 866 B13R1.33 CCOC(=O)/C=C(\C)/c1cnco1 271570a_100050291487_100020591547 [0,1,0,0,0,0|1,0,2]=4 867 B13R1.33 CCOC(=O)/C=C(\C)/c1ncco1 271570a_100050291487_100011787736 [0,1,0,0,0,0|1,0,2]=4 868 B13R1.33 CCOC(=O)CC(C)N1CC=CC1 269982a_100015195280_100009817359 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.33 CNNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100016993582 [0,1,0,0,0,0|3,0,0]=4 870 B13R1.33 CNNC(=O)N[C@H](C)c1ccco1 512a_100016993582_100160469435 [0,1,0,0,0,0|3,0,0]=4 871 B13R1.33 CNNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100016993582 [0,1,0,0,0,0|3,0,0]=4 872 B13R1.33 COCC(=O)CC(=O)c1ccco1 1458a_100000210968_100000211439 [0,1,0,0,0,0|2,0,1]=4 873 B13R1.33 COCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210968 [0,1,0,0,0,0|3,0,0]=4 874 B13R1.33 COCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210968 [0,1,0,0,0,0|3,0,0]=4 875 B13R1.33 COCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210968 [0,1,0,0,0,0|3,0,0]=4 876 B13R1.33 COCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210968 [0,1,0,0,0,0|3,0,0]=4 877 B13R1.33 CSCC(=O)CC(=O)c1ccco1 1458a_100000184570_100000211439 [0,1,0,0,0,0|2,0,1]=4 878 B13R1.33 CSCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000184570 [0,1,0,0,0,0|3,0,0]=4 879 B13R1.33 CSCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000184570 [0,1,0,0,0,0|3,0,0]=4 880 B13R1.33 CSCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000184570 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.33 CSCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000184570 [0,1,0,0,0,0|3,0,0]=4 882 B13R1.33 C[C@@H](NC(=O)CCO)c1ccco1 240690a_100160469435_100011216618 [0,1,0,0,0,0|3,0,0]=4 883 B13R1.33 O=C(CCO)CC(=O)c1ccco1 1458a_100011216618_100000211439 [0,1,0,0,0,0|2,0,1]=4 884 B13R1.41 CC=CC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210699 [0,1,0,0,0,0|2,0,1]=4 885 B13R1.41 CC=CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210699 [0,1,0,0,0,0|2,0,1]=4 886 B13R1.41 CC=CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210699 [0,1,0,0,0,0|2,0,1]=4 887 B13R1.41 CC=CC(=O)NCc1ccc(o1)C 11a_100011194323_100000210699 [0,1,0,0,0,0|2,0,1]=4 888 B13R1.41 CC=CC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210699 [0,1,0,0,0,0|2,0,1]=4 889 B13R1.41 CC=CC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210699 [0,1,0,0,0,0|2,0,1]=4 890 B13R1.41 CCCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100011215381 [0,1,0,0,0,0|1,0,2]=4 891 B13R1.41 CCCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210303 [0,1,0,0,0,0|1,0,2]=4 892 B13R1.41 CCCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000210303 [0,1,0,0,0,0|1,0,2]=4 893 B13R1.41 CCCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210303 [0,1,0,0,0,0|1,0,2]=4 894 B13R1.41 CCCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100011215381 [0,1,0,0,0,0|1,0,2]=4 895 B13R1.41 CCCC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000210303 [0,1,0,0,0,0|2,0,0]=3 896 B13R1.41 CCCC(=O)CCc1csc(n1)C 1458a_100000211992_100000695623 [0,1,0,0,0,0|3,0,0]=4 897 B13R1.41 CCCC(=O)CCn1cc(cn1)C 1458a_100000743555_100000210303 [0,1,0,0,0,0|3,0,0]=4 898 B13R1.41 CCCC(=O)CCn1cc(cn1)Cl 1458a_100000211992_100011353933 [0,1,0,0,0,0|3,0,0]=4 899 B13R1.41 CCCC(=O)CCn1cc(cn1)Cl 1458a_100000743157_100000210303 [0,1,0,0,0,0|3,0,0]=4 900 B13R1.41 CCCC(=O)CCn1cc(cn1)I 1458a_100012072392_100000210303 [0,1,0,0,0,0|3,0,0]=4 901 B13R1.41 CCCC(=O)CCn1ccc(n1)C 1458a_100000211992_200011934056 [0,1,0,0,0,0|3,0,0]=4 902 B13R1.41 CCCC(=O)CCn1ccc(n1)C 1458a_100000759146_100000210303 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.41 CCCC(=O)CSc1cc(cs1)C 62a_100000747444_100009876951 [0,1,0,0,0,0|2,1,0]=4 904 B13R1.41 CCCC(=O)CSc1cc(cs1)C 62a_100009876951_100000747444 [0,1,0,0,0,0|2,1,0]=4 905 B13R1.41 CCCC(=O)CSc1ccc(s1)Br 62a_100000747444_100010197418 [0,1,0,0,0,0|2,1,0]=4 906 B13R1.41 CCCC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747444 [0,1,0,0,0,0|2,1,0]=4 907 B13R1.41 CCCC(=O)CSc1ccc(s1)C 62a_100000031368_100000747444 [0,1,0,0,0,0|2,1,0]=4 908 B13R1.41 CCCC(=O)CSc1ccc(s1)C 62a_100000747444_100000031368 [0,1,0,0,0,0|2,1,0]=4 909 B13R1.41 CCCC(=O)NCc1cc(cs1)Br 11a_100000741024_100000211992 [0,1,0,0,0,0|2,1,0]=4 910 B13R1.41 CCCC(=O)NCc1cc(cs1)Br 1626a_100000741024_100000211992 [0,1,0,0,0,0|2,1,0]=4 911 B13R1.41 CCCC(=O)NCc1cc(cs1)Br 240690a_100000741024_100000211992 [0,1,0,0,0,0|2,1,0]=4 912 B13R1.41 CCCC(=O)NCc1cc(cs1)Br 527a_100000741024_100000211992 [0,1,0,0,0,0|2,1,0]=4 913 B13R1.41 CCCC(=O)NCc1cc(cs1)C 11a_100015204214_100000211992 [0,1,0,0,0,0|2,1,0]=4 914 B13R1.41 CCCC(=O)NCc1cc(cs1)C 1626a_100015204214_100000211992 [0,1,0,0,0,0|2,1,0]=4 915 B13R1.41 CCCC(=O)NCc1cc(cs1)C 240690a_100015204214_100000211992 [0,1,0,0,0,0|2,1,0]=4 916 B13R1.41 CCCC(=O)NCc1cc(cs1)C 527a_100015204214_100000211992 [0,1,0,0,0,0|2,1,0]=4 917 B13R1.41 CCCC(=O)NCc1cc(no1)Br 11a_100015193020_100000211992 [0,1,0,0,0,0|3,0,0]=4 918 B13R1.41 CCCC(=O)NCc1cc(no1)Br 240690a_100015193020_100000211992 [0,1,0,0,0,0|3,0,0]=4 919 B13R1.41 CCCC(=O)NCc1cc(no1)Br 527a_100015193020_100000211992 [0,1,0,0,0,0|3,0,0]=4 920 B13R1.41 CCCC(=O)NCc1cc(no1)C 11a_100000745748_100000211992 [0,1,0,0,0,0|3,0,0]=4 921 B13R1.41 CCCC(=O)NCc1cc(no1)C 240690a_100000745748_100000211992 [0,1,0,0,0,0|3,0,0]=4 922 B13R1.41 CCCC(=O)NCc1cc(no1)C 527a_100000745748_100000211992 [0,1,0,0,0,0|3,0,0]=4 923 B13R1.41 CCCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000211992 [0,1,0,0,0,0|2,0,0]=3 924 B13R1.41 CCCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000211992 [0,1,0,0,0,0|2,0,0]=3 925 B13R1.41 CCCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000211992 [0,1,0,0,0,0|2,0,0]=3 926 B13R1.41 CCCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000211992 [0,1,0,0,0,0|2,0,0]=3 927 B13R1.41 CCCC(=O)NCc1ccc(o1)C 11a_100011194323_100000211992 [0,1,0,0,0,0|2,0,0]=3 928 B13R1.41 CCCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000211992 [0,1,0,0,0,0|2,0,0]=3 929 B13R1.41 CCCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000211992 [0,1,0,0,0,0|2,0,0]=3 930 B13R1.41 CCCC(=O)NCc1ccc(o1)C 527a_100011194323_100000211992 [0,1,0,0,0,0|2,0,0]=3 931 B13R1.41 CCCC(=O)NCc1ccc(s1)Br 11a_100000737305_100000211992 [0,1,0,0,0,0|2,1,0]=4 932 B13R1.41 CCCC(=O)NCc1ccc(s1)Br 1626a_100000737305_100000211992 [0,1,0,0,0,0|2,1,0]=4 933 B13R1.41 CCCC(=O)NCc1ccc(s1)Br 240690a_100000737305_100000211992 [0,1,0,0,0,0|2,1,0]=4 934 B13R1.41 CCCC(=O)NCc1ccc(s1)Br 527a_100000737305_100000211992 [0,1,0,0,0,0|2,1,0]=4 935 B13R1.41 CCCC(=O)NCc1ccc(s1)C 11a_100000238518_100000211992 [0,1,0,0,0,0|2,1,0]=4 936 B13R1.41 CCCC(=O)NCc1ccc(s1)C 1626a_100000238518_100000211992 [0,1,0,0,0,0|2,1,0]=4 937 B13R1.41 CCCC(=O)NCc1ccc(s1)C 240690a_100000238518_100000211992 [0,1,0,0,0,0|2,1,0]=4 938 B13R1.41 CCCC(=O)NCc1ccc(s1)C 527a_100000238518_100000211992 [0,1,0,0,0,0|2,1,0]=4 939 B13R1.41 CCCC(=O)NCc1ccc(s1)Cl 11a_100000737310_100000211992 [0,1,0,0,0,0|2,1,0]=4 940 B13R1.41 CCCC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100000211992 [0,1,0,0,0,0|2,1,0]=4 941 B13R1.41 CCCC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100000211992 [0,1,0,0,0,0|2,1,0]=4 942 B13R1.41 CCCC(=O)NCc1ccc(s1)Cl 527a_100000737310_100000211992 [0,1,0,0,0,0|2,1,0]=4 943 B13R1.41 CCCC(=O)NCc1ncc(o1)C 11a_100138411809_100000211992 [0,1,0,0,0,0|3,0,0]=4 944 B13R1.41 CCCC(=O)NCc1ncc(o1)C 1626a_100138411809_100000211992 [0,1,0,0,0,0|3,0,0]=4 945 B13R1.41 CCCC(=O)NCc1ncc(o1)C 240690a_100138411809_100000211992 [0,1,0,0,0,0|3,0,0]=4 946 B13R1.41 CCCC(=O)NCc1ncc(o1)C 527a_100138411809_100000211992 [0,1,0,0,0,0|3,0,0]=4 947 B13R1.41 CCNC(=O)C=Cc1ccc(o1)Br 11a_100015525214_100000182240 [0,1,0,0,0,0|1,0,2]=4 948 B13R1.41 CCNC(=O)C=Cc1ccc(o1)Br 240690a_100015525214_100000182240 [0,1,0,0,0,0|1,0,2]=4 949 B13R1.41 CCNC(=O)C=Cc1ccc(o1)C 11a_100015525214_100000183563 [0,1,0,0,0,0|1,0,2]=4 950 B13R1.41 CCNC(=O)C=Cc1ccc(o1)C 240690a_100015525214_100000183563 [0,1,0,0,0,0|1,0,2]=4 951 B13R1.41 CCNC(=O)C=Cc1ccc(o1)C 527a_100015525214_100000183563 [0,1,0,0,0,0|1,0,2]=4 952 B13R1.41 CCNC(=O)C=Cc1ccc(o1)I 11a_100015525214_100000679848 [0,1,0,0,0,0|1,0,2]=4 953 B13R1.41 CCNC(=O)C=Cc1ccc(o1)I 240690a_100015525214_100000679848 [0,1,0,0,0,0|1,0,2]=4 954 B13R1.41 CCNC(=O)CCc1cc(no1)Cl 11a_100015525214_100000022696 [0,1,0,0,0,0|2,0,0]=3 955 B13R1.41 CCNC(=O)CCc1cc(no1)Cl 240690a_100015525214_100000022696 [0,1,0,0,0,0|2,0,0]=3 956 B13R1.41 CCNC(=O)CCc1cc(no1)Cl 527a_100015525214_100000022696 [0,1,0,0,0,0|2,0,0]=3 957 B13R1.41 CCNC(=O)CCn1cc(cn1)C 11a_100015525214_100000743555 [0,1,0,0,0,0|3,0,0]=4 958 B13R1.41 CCNC(=O)CCn1cc(cn1)C 240690a_100015525214_100000743555 [0,1,0,0,0,0|3,0,0]=4 959 B13R1.41 CCNC(=O)CCn1cc(cn1)C 527a_100015525214_100000743555 [0,1,0,0,0,0|3,0,0]=4 960 B13R1.41 CCNC(=O)CCn1cc(cn1)Cl 11a_100015525214_100000743157 [0,1,0,0,0,0|3,0,0]=4 961 B13R1.41 CCNC(=O)CCn1cc(cn1)Cl 240690a_100015525214_100000743157 [0,1,0,0,0,0|3,0,0]=4 962 B13R1.41 CCNC(=O)CCn1cc(cn1)Cl 527a_100015525214_100000743157 [0,1,0,0,0,0|3,0,0]=4 963 B13R1.41 CCNC(=O)CCn1cc(cn1)I 11a_100015525214_100012072392 [0,1,0,0,0,0|3,0,0]=4 964 B13R1.41 CCNC(=O)CCn1cc(cn1)I 240690a_100015525214_100012072392 [0,1,0,0,0,0|3,0,0]=4 965 B13R1.41 CCNC(=O)CCn1cc(cn1)I 527a_100015525214_100012072392 [0,1,0,0,0,0|3,0,0]=4 966 B13R1.41 CCNC(=O)CCn1ccc(n1)C 11a_100015525214_100000759146 [0,1,0,0,0,0|3,0,0]=4 967 B13R1.41 CCNC(=O)CCn1ccc(n1)C 240690a_100015525214_100000759146 [0,1,0,0,0,0|3,0,0]=4 968 B13R1.41 CCNC(=O)CCn1ccc(n1)C 527a_100015525214_100000759146 [0,1,0,0,0,0|3,0,0]=4 969 B13R1.41 CCNC(=O)CSc1cc(cs1)C 62a_100000183381_100009876951 [0,1,0,0,0,0|2,1,0]=4 970 B13R1.41 CCNC(=O)CSc1cc(cs1)C 62a_100009876951_100000183381 [0,1,0,0,0,0|2,1,0]=4 971 B13R1.41 CCNC(=O)CSc1ccc(s1)Br 62a_100000183381_100010197418 [0,1,0,0,0,0|2,1,0]=4 972 B13R1.41 CCNC(=O)CSc1ccc(s1)Br 62a_100010197418_100000183381 [0,1,0,0,0,0|2,1,0]=4 973 B13R1.41 CCNC(=O)CSc1ccc(s1)C 62a_100000031368_100000183381 [0,1,0,0,0,0|2,1,0]=4 974 B13R1.41 CCNC(=O)CSc1ccc(s1)C 62a_100000183381_100000031368 [0,1,0,0,0,0|2,1,0]=4 975 B13R1.41 CCNC(=O)NCc1cc(cs1)Br 2708a_100000741024_100015525214 [0,1,0,0,0,0|2,1,0]=4 976 B13R1.41 CCNC(=O)NCc1cc(cs1)Br 2708a_100015525214_100000741024 [0,1,0,0,0,0|2,1,0]=4 977 B13R1.41 CCNC(=O)NCc1cc(cs1)Br 273464a_100000741024_100015525214 [0,1,0,0,0,0|2,1,0]=4 978 B13R1.41 CCNC(=O)NCc1cc(cs1)Br 273464a_100015525214_100000741024 [0,1,0,0,0,0|2,1,0]=4 979 B13R1.41 CCNC(=O)NCc1cc(cs1)Br 512a_100000741024_100015525214 [0,1,0,0,0,0|2,1,0]=4 980 B13R1.41 CCNC(=O)NCc1cc(cs1)Br 512a_100015525214_100000741024 [0,1,0,0,0,0|2,1,0]=4 981 B13R1.41 CCNC(=O)NCc1cc(cs1)C 2708a_100015204214_100015525214 [0,1,0,0,0,0|2,1,0]=4 982 B13R1.41 CCNC(=O)NCc1cc(cs1)C 2708a_100015525214_100015204214 [0,1,0,0,0,0|2,1,0]=4 983 B13R1.41 CCNC(=O)NCc1cc(cs1)C 273464a_100015204214_100015525214 [0,1,0,0,0,0|2,1,0]=4 984 B13R1.41 CCNC(=O)NCc1cc(cs1)C 273464a_100015525214_100015204214 [0,1,0,0,0,0|2,1,0]=4 985 B13R1.41 CCNC(=O)NCc1cc(cs1)C 512a_100015204214_100015525214 [0,1,0,0,0,0|2,1,0]=4 986 B13R1.41 CCNC(=O)NCc1cc(cs1)C 512a_100015525214_100015204214 [0,1,0,0,0,0|2,1,0]=4 987 B13R1.41 CCNC(=O)NCc1cc(no1)Br 2708a_100015193020_100015525214 [0,1,0,0,0,0|3,0,0]=4 988 B13R1.41 CCNC(=O)NCc1cc(no1)Br 2708a_100015525214_100015193020 [0,1,0,0,0,0|3,0,0]=4 989 B13R1.41 CCNC(=O)NCc1cc(no1)Br 273464a_100015193020_100015525214 [0,1,0,0,0,0|3,0,0]=4 990 B13R1.41 CCNC(=O)NCc1cc(no1)Br 273464a_100015525214_100015193020 [0,1,0,0,0,0|3,0,0]=4 991 B13R1.41 CCNC(=O)NCc1cc(no1)Br 512a_100015193020_100015525214 [0,1,0,0,0,0|3,0,0]=4 992 B13R1.41 CCNC(=O)NCc1cc(no1)Br 512a_100015525214_100015193020 [0,1,0,0,0,0|3,0,0]=4 993 B13R1.41 CCNC(=O)NCc1cc(no1)C 2708a_100000745748_100015525214 [0,1,0,0,0,0|3,0,0]=4 994 B13R1.41 CCNC(=O)NCc1cc(no1)C 2708a_100015525214_100000745748 [0,1,0,0,0,0|3,0,0]=4 995 B13R1.41 CCNC(=O)NCc1cc(no1)C 273464a_100000745748_100015525214 [0,1,0,0,0,0|3,0,0]=4 996 B13R1.41 CCNC(=O)NCc1cc(no1)C 273464a_100015525214_100000745748 [0,1,0,0,0,0|3,0,0]=4 997 B13R1.41 CCNC(=O)NCc1cc(no1)C 512a_100000745748_100015525214 [0,1,0,0,0,0|3,0,0]=4 998 B13R1.41 CCNC(=O)NCc1cc(no1)C 512a_100015525214_100000745748 [0,1,0,0,0,0|3,0,0]=4 999 B13R1.41 CCNC(=O)NCc1ccc(o1)Br 2708a_100000708654_100015525214 [0,1,0,0,0,0|2,0,0]=3 1000 B13R1.41 CCNC(=O)NCc1ccc(o1)Br 2708a_100015525214_100000708654 [0,1,0,0,0,0|2,0,0]=3 1001 B13R1.41 CCNC(=O)NCc1ccc(o1)Br 273464a_100000708654_100015525214 [0,1,0,0,0,0|2,0,0]=3 1002 B13R1.41 CCNC(=O)NCc1ccc(o1)Br 273464a_100015525214_100000708654 [0,1,0,0,0,0|2,0,0]=3 1003 B13R1.41 CCNC(=O)NCc1ccc(o1)Br 512a_100000708654_100015525214 [0,1,0,0,0,0|2,0,0]=3 1004 B13R1.41 CCNC(=O)NCc1ccc(o1)Br 512a_100015525214_100000708654 [0,1,0,0,0,0|2,0,0]=3 1005 B13R1.41 CCNC(=O)NCc1ccc(o1)C 2708a_100011194323_100015525214 [0,1,0,0,0,0|2,0,0]=3 1006 B13R1.41 CCNC(=O)NCc1ccc(o1)C 2708a_100015525214_100011194323 [0,1,0,0,0,0|2,0,0]=3 1007 B13R1.41 CCNC(=O)NCc1ccc(o1)C 273464a_100011194323_100015525214 [0,1,0,0,0,0|2,0,0]=3 1008 B13R1.41 CCNC(=O)NCc1ccc(o1)C 512a_100011194323_100015525214 [0,1,0,0,0,0|2,0,0]=3 1009 B13R1.41 CCNC(=O)NCc1ccc(o1)C 512a_100015525214_100011194323 [0,1,0,0,0,0|2,0,0]=3 1010 B13R1.41 CCNC(=O)NCc1ccc(s1)Br 2708a_100000737305_100015525214 [0,1,0,0,0,0|2,1,0]=4 1011 B13R1.41 CCNC(=O)NCc1ccc(s1)Br 2708a_100015525214_100000737305 [0,1,0,0,0,0|2,1,0]=4 1012 B13R1.41 CCNC(=O)NCc1ccc(s1)Br 273464a_100000737305_100015525214 [0,1,0,0,0,0|2,1,0]=4 1013 B13R1.41 CCNC(=O)NCc1ccc(s1)Br 273464a_100015525214_100000737305 [0,1,0,0,0,0|2,1,0]=4 1014 B13R1.41 CCNC(=O)NCc1ccc(s1)Br 512a_100000737305_100015525214 [0,1,0,0,0,0|2,1,0]=4 1015 B13R1.41 CCNC(=O)NCc1ccc(s1)Br 512a_100015525214_100000737305 [0,1,0,0,0,0|2,1,0]=4 1016 B13R1.41 CCNC(=O)NCc1ccc(s1)C 2708a_100000238518_100015525214 [0,1,0,0,0,0|2,1,0]=4 1017 B13R1.41 CCNC(=O)NCc1ccc(s1)C 2708a_100015525214_100000238518 [0,1,0,0,0,0|2,1,0]=4 1018 B13R1.41 CCNC(=O)NCc1ccc(s1)C 273464a_100000238518_100015525214 [0,1,0,0,0,0|2,1,0]=4 1019 B13R1.41 CCNC(=O)NCc1ccc(s1)C 273464a_100015525214_100000238518 [0,1,0,0,0,0|2,1,0]=4 1020 B13R1.41 CCNC(=O)NCc1ccc(s1)C 512a_100000238518_100015525214 [0,1,0,0,0,0|2,1,0]=4 1021 B13R1.41 CCNC(=O)NCc1ccc(s1)C 512a_100015525214_100000238518 [0,1,0,0,0,0|2,1,0]=4 1022 B13R1.41 CCNC(=O)NCc1ccc(s1)Cl 2708a_100000737310_100015525214 [0,1,0,0,0,0|2,1,0]=4 1023 B13R1.41 CCNC(=O)NCc1ccc(s1)Cl 2708a_100015525214_100000737310 [0,1,0,0,0,0|2,1,0]=4 1024 B13R1.41 CCNC(=O)NCc1ccc(s1)Cl 273464a_100000737310_100015525214 [0,1,0,0,0,0|2,1,0]=4 1025 B13R1.41 CCNC(=O)NCc1ccc(s1)Cl 273464a_100015525214_100000737310 [0,1,0,0,0,0|2,1,0]=4 1026 B13R1.41 CCNC(=O)NCc1ccc(s1)Cl 512a_100000737310_100015525214 [0,1,0,0,0,0|2,1,0]=4 1027 B13R1.41 CCNC(=O)NCc1ccc(s1)Cl 512a_100015525214_100000737310 [0,1,0,0,0,0|2,1,0]=4 1028 B13R1.41 CCNC(=O)NCc1ncc(o1)C 2708a_100015525214_100138411809 [0,1,0,0,0,0|3,0,0]=4 1029 B13R1.41 CCNC(=O)NCc1ncc(o1)C 2708a_100138411809_100015525214 [0,1,0,0,0,0|3,0,0]=4 1030 B13R1.41 CCNC(=O)NCc1ncc(o1)C 273464a_100015525214_100138411809 [0,1,0,0,0,0|3,0,0]=4 1031 B13R1.41 CCNC(=O)NCc1ncc(o1)C 512a_100015525214_100138411809 [0,1,0,0,0,0|3,0,0]=4 1032 B13R1.41 CCNC(=O)NCc1ncc(o1)C 512a_100138411809_100015525214 [0,1,0,0,0,0|3,0,0]=4 1033 B13R1.41 CCOC(=O)C=Cc1cc(cs1)C 271570a_100010199719_100009876951 [0,1,0,0,0,0|0,1,2]=4 1034 B13R1.41 CCOC(=O)C=Cc1ccc(s1)Br 271570a_100010199719_100010197418 [0,1,0,0,0,0|0,1,2]=4 1035 B13R1.41 CCOC(=O)C=Cc1ccc(s1)C 271570a_100010199719_100000761539 [0,1,0,0,0,0|0,1,2]=4 1036 B13R1.41 CCOC(=O)CCc1cn(nn1)C 274090a_200000210301_100012108076 [0,1,0,0,0,0|3,0,0]=4 1037 B13R1.41 CCOC(=O)CCc1cn(nn1)[13CH3] 274090a_200025704644_100012108076 [0,1,0,0,0,0|3,0,0]=4 1038 B13R1.41 CCOC(=O)CCc1nc(no1)C 270196a_100000212224_100000183558 [0,1,0,0,0,0|2,0,0]=3 1039 B13R1.41 CCOC(=O)CCn1cc(cn1)O 271570a_203496583355_100012072402 [0,1,0,0,0,0|2,0,0]=3 1040 B13R1.41 CCOC(=O)CCn1cc(nn1)C 274090a_100000765890_200000242740 [0,1,0,0,0,0|3,0,0]=4 1041 B13R1.41 CCOC(=O)COc1ccn(n1)C 34a_100012642153_100000188475 [0,1,0,0,0,0|3,0,0]=4 1042 B13R1.41 CCOC(=O)CSc1c[nH]c(n1)C 62a_100000188475_100009814057 [0,1,0,0,0,0|3,0,0]=4 1043 B13R1.41 CCOC(=O)CSc1c[nH]c(n1)C 62a_100009814057_100000188475 [0,1,0,0,0,0|3,0,0]=4 1044 B13R1.41 CCOC(=O)CSc1cc([nH]n1)C 62a_100000188475_100009819999 [0,1,0,0,0,0|3,0,0]=4 1045 B13R1.41 CCOC(=O)CSc1cc([nH]n1)C 62a_100009819999_100000188475 [0,1,0,0,0,0|3,0,0]=4 1046 B13R1.41 CCOC(=O)CSc1cc([nH]n1)N 62a_100000188475_100009822546 [0,1,0,0,0,0|3,0,0]=4 1047 B13R1.41 CCOC(=O)CSc1cc([nH]n1)N 62a_100009822546_100000188475 [0,1,0,0,0,0|3,0,0]=4 1048 B13R1.41 CCOC(=O)CSc1cc(cs1)C 62a_100000188475_100009876951 [0,1,0,0,0,0|1,1,0]=3 1049 B13R1.41 CCOC(=O)CSc1cc(cs1)C 62a_100009876951_100000188475 [0,1,0,0,0,0|1,1,0]=3 1050 B13R1.41 CCOC(=O)CSc1cc(n[nH]1)Br 62a_100000188475_100160470719 [0,1,0,0,0,0|3,0,0]=4 1051 B13R1.41 CCOC(=O)CSc1cc(n[nH]1)Br 62a_100160470719_100000188475 [0,1,0,0,0,0|3,0,0]=4 1052 B13R1.41 CCOC(=O)CSc1cc(ns1)C 62a_100000188475_100009815735 [0,1,0,0,0,0|2,1,0]=4 1053 B13R1.41 CCOC(=O)CSc1cc(ns1)C 62a_100009815735_100000188475 [0,1,0,0,0,0|2,1,0]=4 1054 B13R1.41 CCOC(=O)CSc1cc(on1)C 62a_100000188475_100000716708 [0,1,0,0,0,0|3,0,0]=4 1055 B13R1.41 CCOC(=O)CSc1cc(on1)C 62a_100000716708_100000188475 [0,1,0,0,0,0|3,0,0]=4 1056 B13R1.41 CCOC(=O)CSc1ccc(s1)Br 62a_100000188475_100010197418 [0,1,0,0,0,0|1,1,0]=3 1057 B13R1.41 CCOC(=O)CSc1ccc(s1)Br 62a_100010197418_100000188475 [0,1,0,0,0,0|1,1,0]=3 1058 B13R1.41 CCOC(=O)CSc1ccc(s1)C 62a_100000031368_100000188475 [0,1,0,0,0,0|1,1,0]=3 1059 B13R1.41 CCOC(=O)CSc1ccc(s1)C 62a_100000188475_100000031368 [0,1,0,0,0,0|1,1,0]=3 1060 B13R1.41 CCOC(=O)CSc1ccn(n1)C 62a_100000188475_100000752436 [0,1,0,0,0,0|3,0,0]=4 1061 B13R1.41 CCOC(=O)CSc1ccn(n1)C 62a_100000752436_100000188475 [0,1,0,0,0,0|3,0,0]=4 1062 B13R1.41 CCOC(=O)CSc1cn(cn1)C 62a_100000040308_100000188475 [0,1,0,0,0,0|3,0,0]=4 1063 B13R1.41 CCOC(=O)CSc1cn(cn1)C 62a_100000188475_100000040308 [0,1,0,0,0,0|3,0,0]=4 1064 B13R1.41 CCOC(=O)CSc1cnc(s1)Br 62a_100000188475_100012357534 [0,1,0,0,0,0|2,1,0]=4 1065 B13R1.41 CCOC(=O)CSc1cnc(s1)Br 62a_100012357534_100000188475 [0,1,0,0,0,0|2,1,0]=4 1066 B13R1.41 CCOC(=O)CSc1cnc(s1)C 62a_100000188475_100000764884 [0,1,0,0,0,0|2,1,0]=4 1067 B13R1.41 CCOC(=O)CSc1cnc(s1)C 62a_100000764884_100000188475 [0,1,0,0,0,0|2,1,0]=4 1068 B13R1.41 CCOC(=O)CSc1cnc(s1)N 62a_100000188475_100000718969 [0,1,0,0,0,0|2,1,0]=4 1069 B13R1.41 CCOC(=O)CSc1cnc(s1)N 62a_100000718969_100000188475 [0,1,0,0,0,0|2,1,0]=4 1070 B13R1.41 CCOC(=O)CSc1csc(c1)C 62a_100000188475_100000759034 [0,1,0,0,0,0|3,0,0]=4 1071 B13R1.41 CCOC(=O)CSc1csc(c1)C 62a_100000759034_100000188475 [0,1,0,0,0,0|3,0,0]=4 1072 B13R1.41 CCOC(=O)CSc1csc(n1)C 62a_100000188475_100011934587 [0,1,0,0,0,0|3,0,0]=4 1073 B13R1.41 CCOC(=O)CSc1csc(n1)C 62a_100011934587_100000188475 [0,1,0,0,0,0|3,0,0]=4 1074 B13R1.41 CCOC(=O)CSc1csc(n1)N 62a_100000188475_100011998049 [0,1,0,0,0,0|3,0,0]=4 1075 B13R1.41 CCOC(=O)CSc1csc(n1)N 62a_100011998049_100000188475 [0,1,0,0,0,0|3,0,0]=4 1076 B13R1.41 CCOC(=O)CSc1nc(c[nH]1)C 62a_100000188475_100161115468 [0,1,0,0,0,0|3,0,0]=4 1077 B13R1.41 CCOC(=O)CSc1nc(c[nH]1)C 62a_100161115468_100000188475 [0,1,0,0,0,0|3,0,0]=4 1078 B13R1.41 CCOC(=O)CSc1nc(cs1)Br 62a_100000188475_200016082925 [0,1,0,0,0,0|2,1,0]=4 1079 B13R1.41 CCOC(=O)CSc1nc(cs1)Br 62a_200016082925_100000188475 [0,1,0,0,0,0|2,1,0]=4 1080 B13R1.41 CCOC(=O)CSc1nc(cs1)C 62a_100000188475_100011291629 [0,1,0,0,0,0|2,1,0]=4 1081 B13R1.41 CCOC(=O)CSc1nc(cs1)C 62a_100011291629_100000188475 [0,1,0,0,0,0|2,1,0]=4 1082 B13R1.41 CCOC(=O)CSc1nc(cs1)N 62a_100000188475_200015188442 [0,1,0,0,0,0|2,1,0]=4 1083 B13R1.41 CCOC(=O)CSc1nc(cs1)N 62a_200015188442_100000188475 [0,1,0,0,0,0|2,1,0]=4 1084 B13R1.41 CCOC(=O)CSc1ncc(s1)C 62a_100000188475_100000690809 [0,1,0,0,0,0|2,1,0]=4 1085 B13R1.41 CCOC(=O)CSc1ncc(s1)C 62a_100000690809_100000188475 [0,1,0,0,0,0|2,1,0]=4 1086 B13R1.41 CCOC(=O)CSc1nnc(o1)C 62a_100000188475_100000708914 [0,1,0,0,0,0|3,0,0]=4 1087 B13R1.41 CCOC(=O)NCc1nc(no1)C 270196a_100000212224_100000190774 [0,1,0,0,0,0|3,0,0]=4 1088 B13R1.41 CNNC(=O)CCc1cc(no1)Cl 22a_100016993582_100000022696 [0,1,0,0,0,0|3,0,0]=4 1089 B13R1.41 CNNC(=O)NCc1ccc(o1)Br 273464a_100000708654_100016993582 [0,1,0,0,0,0|3,0,0]=4 1090 B13R1.41 CNNC(=O)NCc1ccc(o1)Br 512a_100000708654_100016993582 [0,1,0,0,0,0|3,0,0]=4 1091 B13R1.41 CNNC(=O)NCc1ccc(o1)Br 512a_100016993582_100000708654 [0,1,0,0,0,0|3,0,0]=4 1092 B13R1.41 CNNC(=O)NCc1ccc(o1)C 273464a_100011194323_100016993582 [0,1,0,0,0,0|3,0,0]=4 1093 B13R1.41 CNNC(=O)NCc1ccc(o1)C 512a_100011194323_100016993582 [0,1,0,0,0,0|3,0,0]=4 1094 B13R1.41 CNNC(=O)NCc1ccc(o1)C 512a_100016993582_100011194323 [0,1,0,0,0,0|3,0,0]=4 1095 B13R1.41 COCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210968 [0,1,0,0,0,0|3,0,0]=4 1096 B13R1.41 COCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210968 [0,1,0,0,0,0|3,0,0]=4 1097 B13R1.41 COCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210968 [0,1,0,0,0,0|3,0,0]=4 1098 B13R1.41 COCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000210968 [0,1,0,0,0,0|3,0,0]=4 1099 B13R1.41 COCC(=O)NCc1ccc(o1)C 11a_100011194323_100000210968 [0,1,0,0,0,0|3,0,0]=4 1100 B13R1.41 COCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210968 [0,1,0,0,0,0|3,0,0]=4 1101 B13R1.41 COCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210968 [0,1,0,0,0,0|3,0,0]=4 1102 B13R1.41 COCC(=O)NCc1ccc(o1)C 527a_100011194323_100000210968 [0,1,0,0,0,0|3,0,0]=4 1103 B13R1.41 CSCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000184570 [0,1,0,0,0,0|3,0,0]=4 1104 B13R1.41 CSCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000184570 [0,1,0,0,0,0|3,0,0]=4 1105 B13R1.41 CSCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000184570 [0,1,0,0,0,0|3,0,0]=4 1106 B13R1.41 CSCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000184570 [0,1,0,0,0,0|3,0,0]=4 1107 B13R1.41 CSCC(=O)NCc1ccc(o1)C 11a_100011194323_100000184570 [0,1,0,0,0,0|3,0,0]=4 1108 B13R1.41 CSCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000184570 [0,1,0,0,0,0|3,0,0]=4 1109 B13R1.41 CSCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000184570 [0,1,0,0,0,0|3,0,0]=4 1110 B13R1.41 CSCC(=O)NCc1ccc(o1)C 527a_100011194323_100000184570 [0,1,0,0,0,0|3,0,0]=4 1111 B13R1.41 Cc1ccc(o1)CNC(=O)CCO 240690a_100011194323_100011216618 [0,1,0,0,0,0|3,0,0]=4 1112 B13R1.41 O=C(CCF)CCc1cc(no1)Cl 1458a_100000022696_100011217306 [0,1,0,0,0,0|3,0,0]=4 1113 B13R1.41 O=C(CCO)CCc1cc(no1)Cl 1458a_100000022696_100000211926 [0,1,0,0,0,0|3,0,0]=4 1114 B13R1.41 O=C(CCO)NCc1ccc(o1)Br 240690a_100000708654_100011216618 [0,1,0,0,0,0|3,0,0]=4 1115 B13R1.66 CC=CC(=O)N(C)Cc1ccco1 11a_100000185268_100000210699 [0,1,0,0,0,0|2,0,1]=4 1116 B13R1.66 CC=CC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210699 [0,1,0,0,0,0|2,0,1]=4 1117 B13R1.66 CCCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210303 [0,1,0,0,0,0|1,0,2]=4 1118 B13R1.66 CCCC(=O)C(C)Cn1cccn1 1458a_100000740329_100000210303 [0,1,0,0,0,0|3,0,0]=4 1119 B13R1.66 CCCC(=O)N(C)Cc1ccco1 11a_100000185268_100000211992 [0,1,0,0,0,0|2,0,0]=3 1120 B13R1.66 CCCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000211992 [0,1,0,0,0,0|2,0,0]=3 1121 B13R1.66 CCCC(=O)N(C)Cc1ccco1 527a_100000185268_100000211992 [0,1,0,0,0,0|2,0,0]=3 1122 B13R1.66 CCCC(=O)N(C)Cc1cccs1 11a_100000184426_100000211992 [0,1,0,0,0,0|2,1,0]=4 1123 B13R1.66 CCCC(=O)N(C)Cc1cccs1 240690a_100000184426_100000211992 [0,1,0,0,0,0|2,1,0]=4 1124 B13R1.66 CCCC(=O)N(C)Cc1cccs1 527a_100000184426_100000211992 [0,1,0,0,0,0|2,1,0]=4 1125 B13R1.66 CCCN(C)C(C)Cc1ccco1 270004a_100000747261_100011216958 [0,1,0,0,0,0|3,0,0]=4 1126 B13R1.66 CCNC(=O)C(=Cc1ccco1)C 11a_100015525214_100011995979 [0,1,0,0,0,0|1,0,2]=4 1127 B13R1.66 CCNC(=O)C(=Cc1ccco1)C 527a_100015525214_100011995979 [0,1,0,0,0,0|1,0,2]=4 1128 B13R1.66 CCNC(=O)C(=O)Cc1ncco1 1458a_200011297158_103436540062 [0,1,0,0,0,0|2,0,1]=4 1129 B13R1.66 CCNC(=O)C(C)Cn1cccn1 11a_100015525214_100000740329 [0,1,0,0,0,0|3,0,0]=4 1130 B13R1.66 CCNC(=O)C(C)Cn1cccn1 240690a_100015525214_100000740329 [0,1,0,0,0,0|3,0,0]=4 1131 B13R1.66 CCNC(=O)C(C)Cn1cccn1 527a_100015525214_100000740329 [0,1,0,0,0,0|3,0,0]=4 1132 B13R1.66 CCNC(=O)C(C)Sc1ccco1 62a_100000230173_100009814098 [0,1,0,0,0,0|2,0,0]=3 1133 B13R1.66 CCNC(=O)C(C)Sc1ccco1 62a_100009814098_100000230173 [0,1,0,0,0,0|2,0,0]=3 1134 B13R1.66 CCNC(=O)C(C)Sc1cccs1 62a_100000230173_100011215356 [0,1,0,0,0,0|2,1,0]=4 1135 B13R1.66 CCNC(=O)C(C)Sc1cccs1 62a_100011215356_100000230173 [0,1,0,0,0,0|2,1,0]=4 1136 B13R1.66 CCNC(=O)C(C)Sc1cnco1 62a_100000230173_100020591547 [0,1,0,0,0,0|3,0,0]=4 1137 B13R1.66 CCNC(=O)C(C)Sc1cnco1 62a_100020591547_100000230173 [0,1,0,0,0,0|3,0,0]=4 1138 B13R1.66 CCNC(=O)C(C)Sc1ncco1 62a_100000230173_100011787736 [0,1,0,0,0,0|3,0,0]=4 1139 B13R1.66 CCNC(=O)C(C)Sc1ncco1 62a_100011787736_100000230173 [0,1,0,0,0,0|3,0,0]=4 1140 B13R1.66 CCNC(=O)N(C)Cc1ccco1 2708a_100015525214_100000185268 [0,1,0,0,0,0|2,0,0]=3 1141 B13R1.66 CCNC(=O)N(C)Cc1cccs1 2708a_100015525214_100000184426 [0,1,0,0,0,0|2,1,0]=4 1142 B13R1.66 CCOC(=O)C(C)Oc1ccsc1 34a_100000106738_100011216346 [0,1,0,0,0,0|3,0,0]=4 1143 B13R1.66 CCOC(=O)C(C)Oc1ccsc1 7a_100000106738_100011216346 [0,1,0,0,0,0|3,0,0]=4 1144 B13R1.66 CCOC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100011216346 [0,1,0,0,0,0|3,0,0]=4 1145 B13R1.66 CCOC(=O)C(C)Sc1c[nH]cn1 62a_100011216346_100000756875 [0,1,0,0,0,0|3,0,0]=4 1146 B13R1.66 CCOC(=O)C(C)Sc1cc[nH]n1 62a_100000062575_100011216346 [0,1,0,0,0,0|3,0,0]=4 1147 B13R1.66 CCOC(=O)C(C)Sc1cc[nH]n1 62a_100011216346_100000062575 [0,1,0,0,0,0|3,0,0]=4 1148 B13R1.66 CCOC(=O)C(C)Sc1ccco1 62a_100009814098_100011216346 [0,1,0,0,0,0|1,0,0]=2 1149 B13R1.66 CCOC(=O)C(C)Sc1ccco1 62a_100011216346_100009814098 [0,1,0,0,0,0|1,0,0]=2 1150 B13R1.66 CCOC(=O)C(C)Sc1cccs1 62a_100011215356_100011216346 [0,1,0,0,0,0|1,1,0]=3 1151 B13R1.66 CCOC(=O)C(C)Sc1cccs1 62a_100011216346_100011215356 [0,1,0,0,0,0|1,1,0]=3 1152 B13R1.66 CCOC(=O)C(C)Sc1ccoc1 62a_100011215275_100011216346 [0,1,0,0,0,0|3,0,0]=4 1153 B13R1.66 CCOC(=O)C(C)Sc1ccoc1 62a_100011216346_100011215275 [0,1,0,0,0,0|3,0,0]=4 1154 B13R1.66 CCOC(=O)C(C)Sc1ccon1 62a_100009818083_100011216346 [0,1,0,0,0,0|3,0,0]=4 1155 B13R1.66 CCOC(=O)C(C)Sc1ccon1 62a_100011216346_100009818083 [0,1,0,0,0,0|3,0,0]=4 1156 B13R1.66 CCOC(=O)C(C)Sc1ccsc1 62a_100000738268_100011216346 [0,1,0,0,0,0|3,0,0]=4 1157 B13R1.66 CCOC(=O)C(C)Sc1ccsc1 62a_100011216346_100000738268 [0,1,0,0,0,0|3,0,0]=4 1158 B13R1.66 CCOC(=O)C(C)Sc1ccsn1 62a_100009818082_100011216346 [0,1,0,0,0,0|3,0,0]=4 1159 B13R1.66 CCOC(=O)C(C)Sc1ccsn1 62a_100011216346_100009818082 [0,1,0,0,0,0|3,0,0]=4 1160 B13R1.66 CCOC(=O)C(C)Sc1cnco1 62a_100011216346_100020591547 [0,1,0,0,0,0|2,0,0]=3 1161 B13R1.66 CCOC(=O)C(C)Sc1cnco1 62a_100020591547_100011216346 [0,1,0,0,0,0|2,0,0]=3 1162 B13R1.66 CCOC(=O)C(C)Sc1cncs1 62a_100011216346_100011934649 [0,1,0,0,0,0|2,1,0]=4 1163 B13R1.66 CCOC(=O)C(C)Sc1cncs1 62a_100011934649_100011216346 [0,1,0,0,0,0|2,1,0]=4 1164 B13R1.66 CCOC(=O)C(C)Sc1cscn1 62a_100000751502_100011216346 [0,1,0,0,0,0|3,0,0]=4 1165 B13R1.66 CCOC(=O)C(C)Sc1cscn1 62a_100011216346_100000751502 [0,1,0,0,0,0|3,0,0]=4 1166 B13R1.66 CCOC(=O)C(C)Sc1ncc[nH]1 62a_100011216346_100025796157 [0,1,0,0,0,0|3,0,0]=4 1167 B13R1.66 CCOC(=O)C(C)Sc1ncc[nH]1 62a_100025796157_100011216346 [0,1,0,0,0,0|3,0,0]=4 1168 B13R1.66 CCOC(=O)C(C)Sc1ncco1 62a_100011216346_100011787736 [0,1,0,0,0,0|2,0,0]=3 1169 B13R1.66 CCOC(=O)C(C)Sc1ncco1 62a_100011787736_100011216346 [0,1,0,0,0,0|2,0,0]=3 1170 B13R1.66 CCOC(=O)C(C)Sc1nccs1 62a_100000211983_100011216346 [0,1,0,0,0,0|2,1,0]=4 1171 B13R1.66 CCOC(=O)C(C)Sc1nccs1 62a_100011216346_100000211983 [0,1,0,0,0,0|2,1,0]=4 1172 B13R1.66 CCOC(=O)C(F)Oc1ccsc1 34a_100000106738_100000760018 [0,1,0,0,0,0|3,0,0]=4 1173 B13R1.66 CCOC(=O)C(F)Oc1ccsc1 7a_100000106738_100000040065 [0,1,0,0,0,0|3,0,0]=4 1174 B13R1.66 CCOC(=O)C(F)Sc1c[nH]cn1 62a_100000756875_100000760018 [0,1,0,0,0,0|3,0,0]=4 1175 B13R1.66 CCOC(=O)C(F)Sc1c[nH]cn1 62a_100000760018_100000756875 [0,1,0,0,0,0|3,0,0]=4 1176 B13R1.66 CCOC(=O)C(F)Sc1cc[nH]n1 62a_100000062575_100000760018 [0,1,0,0,0,0|3,0,0]=4 1177 B13R1.66 CCOC(=O)C(F)Sc1cc[nH]n1 62a_100000760018_100000062575 [0,1,0,0,0,0|3,0,0]=4 1178 B13R1.66 CCOC(=O)C(F)Sc1ccco1 62a_100000760018_100009814098 [0,1,0,0,0,0|1,0,0]=2 1179 B13R1.66 CCOC(=O)C(F)Sc1ccco1 62a_100009814098_100000760018 [0,1,0,0,0,0|1,0,0]=2 1180 B13R1.66 CCOC(=O)C(F)Sc1cccs1 62a_100000760018_100011215356 [0,1,0,0,0,0|1,1,0]=3 1181 B13R1.66 CCOC(=O)C(F)Sc1cccs1 62a_100011215356_100000760018 [0,1,0,0,0,0|1,1,0]=3 1182 B13R1.66 CCOC(=O)C(F)Sc1ccoc1 62a_100000760018_100011215275 [0,1,0,0,0,0|3,0,0]=4 1183 B13R1.66 CCOC(=O)C(F)Sc1ccoc1 62a_100011215275_100000760018 [0,1,0,0,0,0|3,0,0]=4 1184 B13R1.66 CCOC(=O)C(F)Sc1ccon1 62a_100000760018_100009818083 [0,1,0,0,0,0|3,0,0]=4 1185 B13R1.66 CCOC(=O)C(F)Sc1ccon1 62a_100009818083_100000760018 [0,1,0,0,0,0|3,0,0]=4 1186 B13R1.66 CCOC(=O)C(F)Sc1ccsc1 62a_100000738268_100000760018 [0,1,0,0,0,0|3,0,0]=4 1187 B13R1.66 CCOC(=O)C(F)Sc1ccsc1 62a_100000760018_100000738268 [0,1,0,0,0,0|3,0,0]=4 1188 B13R1.66 CCOC(=O)C(F)Sc1ccsn1 62a_100000760018_100009818082 [0,1,0,0,0,0|3,0,0]=4 1189 B13R1.66 CCOC(=O)C(F)Sc1ccsn1 62a_100009818082_100000760018 [0,1,0,0,0,0|3,0,0]=4 1190 B13R1.66 CCOC(=O)C(F)Sc1cnco1 62a_100000760018_100020591547 [0,1,0,0,0,0|2,0,0]=3 1191 B13R1.66 CCOC(=O)C(F)Sc1cnco1 62a_100020591547_100000760018 [0,1,0,0,0,0|2,0,0]=3 1192 B13R1.66 CCOC(=O)C(F)Sc1cncs1 62a_100000760018_100011934649 [0,1,0,0,0,0|2,1,0]=4 1193 B13R1.66 CCOC(=O)C(F)Sc1cncs1 62a_100011934649_100000760018 [0,1,0,0,0,0|2,1,0]=4 1194 B13R1.66 CCOC(=O)C(F)Sc1cscn1 62a_100000751502_100000760018 [0,1,0,0,0,0|3,0,0]=4 1195 B13R1.66 CCOC(=O)C(F)Sc1cscn1 62a_100000760018_100000751502 [0,1,0,0,0,0|3,0,0]=4 1196 B13R1.66 CCOC(=O)C(F)Sc1ncc[nH]1 62a_100000760018_100025796157 [0,1,0,0,0,0|3,0,0]=4 1197 B13R1.66 CCOC(=O)C(F)Sc1ncc[nH]1 62a_100025796157_100000760018 [0,1,0,0,0,0|3,0,0]=4 1198 B13R1.66 CCOC(=O)C(F)Sc1ncco1 62a_100000760018_100011787736 [0,1,0,0,0,0|2,0,0]=3 1199 B13R1.66 CCOC(=O)C(F)Sc1ncco1 62a_100011787736_100000760018 [0,1,0,0,0,0|2,0,0]=3 1200 B13R1.66 CCOC(=O)C(F)Sc1nccs1 62a_100000211983_100000760018 [0,1,0,0,0,0|2,1,0]=4 1201 B13R1.66 CCOC(=O)C(F)Sc1nccs1 62a_100000760018_100000211983 [0,1,0,0,0,0|2,1,0]=4 1202 B13R1.66 CN(Cc1ccco1)C(=O)CCO 240690a_100000185268_100011216618 [0,1,0,0,0,0|3,0,0]=4 1203 B13R1.66 COCC(=O)N(C)Cc1ccco1 11a_100000185268_100000210968 [0,1,0,0,0,0|3,0,0]=4 1204 B13R1.66 COCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210968 [0,1,0,0,0,0|3,0,0]=4 1205 B13R1.66 COCC(=O)N(C)Cc1ccco1 527a_100000185268_100000210968 [0,1,0,0,0,0|3,0,0]=4 1206 B13R1.66 CSCC(=O)N(C)Cc1ccco1 11a_100000185268_100000184570 [0,1,0,0,0,0|3,0,0]=4 1207 B13R1.66 CSCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000184570 [0,1,0,0,0,0|3,0,0]=4 1208 B13R1.66 CSCC(=O)N(C)Cc1ccco1 527a_100000185268_100000184570 [0,1,0,0,0,0|3,0,0]=4 1209 B13R1.153 C#CCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000753159 [0,1,0,0,0,0|2,0,1]=4 1210 B13R1.153 C#CCCC(=O)CCc1ccco1 1458a_100000185103_100000753159 [0,1,0,0,0,0|1,0,1]=3 1211 B13R1.153 C#CCCC(=O)CCc1cccs1 1458a_100000185280_100000753159 [0,1,0,0,0,0|1,1,1]=4 1212 B13R1.153 C#CCCC(=O)CCc1cccs1 1458a_100000692101_100000748579 [0,1,0,0,0,0|1,1,1]=4 1213 B13R1.153 C#CCCC(=O)NCc1ccco1 11a_100000185738_100000692101 [0,1,0,0,0,0|2,0,1]=4 1214 B13R1.153 C#CCCC(=O)NCc1ccco1 1626a_100000185738_100000692101 [0,1,0,0,0,0|2,0,1]=4 1215 B13R1.153 C#CCCC(=O)NCc1ccco1 240690a_100000185738_100000692101 [0,1,0,0,0,0|2,0,1]=4 1216 B13R1.153 C#CCCC(=O)NCc1ccco1 527a_100000185738_100000692101 [0,1,0,0,0,0|2,0,1]=4 1217 B13R1.153 C#CCNC(=O)CCc1ccc[nH]1 11a_100000212058_200011998680 [0,1,0,0,0,0|2,0,1]=4 1218 B13R1.153 C#CCNC(=O)CCc1ccc[nH]1 240690a_100000212058_200011998680 [0,1,0,0,0,0|2,0,1]=4 1219 B13R1.153 C#CCNC(=O)CCc1ccc[nH]1 527a_100000212058_200011998680 [0,1,0,0,0,0|2,0,1]=4 1220 B13R1.153 C#CCNC(=O)CCc1ccco1 11a_100000212058_100000185103 [0,1,0,0,0,0|1,0,1]=3 1221 B13R1.153 C#CCNC(=O)CCc1ccco1 1626a_100000212058_100000185103 [0,1,0,0,0,0|1,0,1]=3 1222 B13R1.153 C#CCNC(=O)CCc1ccco1 527a_100000212058_100000185103 [0,1,0,0,0,0|1,0,1]=3 1223 B13R1.153 C#CCNC(=O)CCc1cccs1 11a_100000212058_100000185280 [0,1,0,0,0,0|1,1,1]=4 1224 B13R1.153 C#CCNC(=O)CCc1cccs1 1626a_100000212058_100000185280 [0,1,0,0,0,0|1,1,1]=4 1225 B13R1.153 C#CCNC(=O)CCc1cccs1 240690a_100000212058_100000185280 [0,1,0,0,0,0|1,1,1]=4 1226 B13R1.153 C#CCNC(=O)CCc1cccs1 527a_100000212058_100000185280 [0,1,0,0,0,0|1,1,1]=4 1227 B13R1.153 C#CCNC(=O)NCc1ccco1 2708a_100000185738_100000212058 [0,1,0,0,0,0|2,0,1]=4 1228 B13R1.153 C#CCNC(=O)NCc1ccco1 2708a_100000212058_100000185738 [0,1,0,0,0,0|2,0,1]=4 1229 B13R1.153 C#CCNC(=O)NCc1ccco1 273464a_100000185738_100000212058 [0,1,0,0,0,0|2,0,1]=4 1230 B13R1.153 C#CCNC(=O)NCc1ccco1 512a_100000185738_100000212058 [0,1,0,0,0,0|2,0,1]=4 1231 B13R1.153 C#CCNC(=O)NCc1ccco1 512a_100000212058_100000185738 [0,1,0,0,0,0|2,0,1]=4 1232 B13R1.153 C/C=C/CC(=O)CCc1ccc[nH]1 1458a_200011998680_100102629194 [0,1,0,0,0,0|2,0,1]=4 1233 B13R1.153 C/C=C/CC(=O)CCc1ccco1 1458a_100000185103_100102629194 [0,1,0,0,0,0|1,0,1]=3 1234 B13R1.153 C/C=C/CC(=O)CCc1cccs1 1458a_100000185280_100102629194 [0,1,0,0,0,0|1,1,1]=4 1235 B13R1.153 C=C(CSc1ccco1)OCOC 62a_100000042856_100009814098 [0,1,0,0,0,0|2,0,0]=3 1236 B13R1.153 C=C(CSc1ccco1)OCOC 62a_100009814098_100000042856 [0,1,0,0,0,0|2,0,0]=3 1237 B13R1.153 C=C(CSc1cccs1)OCOC 62a_100000042856_100011215356 [0,1,0,0,0,0|2,1,0]=4 1238 B13R1.153 C=C(CSc1cccs1)OCOC 62a_100011215356_100000042856 [0,1,0,0,0,0|2,1,0]=4 1239 B13R1.153 C=C(CSc1cnco1)OCOC 62a_100000042856_100020591547 [0,1,0,0,0,0|3,0,0]=4 1240 B13R1.153 C=C(CSc1cnco1)OCOC 62a_100020591547_100000042856 [0,1,0,0,0,0|3,0,0]=4 1241 B13R1.153 C=C(CSc1ncco1)OCOC 62a_100000042856_100011787736 [0,1,0,0,0,0|3,0,0]=4 1242 B13R1.153 C=C(CSc1ncco1)OCOC 62a_100011787736_100000042856 [0,1,0,0,0,0|3,0,0]=4 1243 B13R1.153 C=CCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000754431 [0,1,0,0,0,0|2,0,1]=4 1244 B13R1.153 C=CCCC(=O)CCc1ccco1 1458a_100000185103_100000754431 [0,1,0,0,0,0|1,0,1]=3 1245 B13R1.153 C=CCCC(=O)CCc1cccs1 1458a_100000185280_100000754431 [0,1,0,0,0,0|1,1,1]=4 1246 B13R1.153 C=CCCC(=O)CCc1cccs1 1458a_100000749702_100000748579 [0,1,0,0,0,0|1,1,1]=4 1247 B13R1.153 C=CCCC(=O)NCc1ccco1 11a_100000185738_100000749702 [0,1,0,0,0,0|2,0,1]=4 1248 B13R1.153 C=CCCC(=O)NCc1ccco1 1626a_100000185738_100000749702 [0,1,0,0,0,0|2,0,1]=4 1249 B13R1.153 C=CCCC(=O)NCc1ccco1 240690a_100000185738_100000749702 [0,1,0,0,0,0|2,0,1]=4 1250 B13R1.153 C=CCCC(=O)NCc1ccco1 527a_100000185738_100000749702 [0,1,0,0,0,0|2,0,1]=4 1251 B13R1.153 C=CCNC(=O)CCc1ccc[nH]1 240690a_100020586998_200011998680 [0,1,0,0,0,0|2,0,1]=4 1252 B13R1.153 C=CCNC(=O)CCc1ccc[nH]1 527a_100020586998_200011998680 [0,1,0,0,0,0|2,0,1]=4 1253 B13R1.153 C=CCNC(=O)CCc1ccco1 1626a_100020586998_100000185103 [0,1,0,0,0,0|1,0,1]=3 1254 B13R1.153 C=CCNC(=O)CCc1ccco1 527a_100020586998_100000185103 [0,1,0,0,0,0|1,0,1]=3 1255 B13R1.153 C=CCNC(=O)CCc1cccs1 1626a_100020586998_100000185280 [0,1,0,0,0,0|1,1,1]=4 1256 B13R1.153 C=CCNC(=O)CCc1cccs1 240690a_100020586998_100000185280 [0,1,0,0,0,0|1,1,1]=4 1257 B13R1.153 C=CCNC(=O)CCc1cccs1 527a_100020586998_100000185280 [0,1,0,0,0,0|1,1,1]=4 1258 B13R1.153 C=CCNC(=O)CSc1ccco1 62a_100000183597_100009814098 [0,1,0,0,0,0|2,0,1]=4 1259 B13R1.153 C=CCNC(=O)CSc1ccco1 62a_100009814098_100000183597 [0,1,0,0,0,0|2,0,1]=4 1260 B13R1.153 C=CCNC(=O)NCc1ccco1 2708a_100000185738_100020586998 [0,1,0,0,0,0|2,0,1]=4 1261 B13R1.153 C=CCNC(=O)NCc1ccco1 273464a_100000185738_100020586998 [0,1,0,0,0,0|2,0,1]=4 1262 B13R1.153 C=CCNC(=O)NCc1ccco1 512a_100000185738_100020586998 [0,1,0,0,0,0|2,0,1]=4 1263 B13R1.153 C=CCNC(=O)NCc1ccco1 512a_100020586998_100000185738 [0,1,0,0,0,0|2,0,1]=4 1264 B13R1.153 C=CCOC(=O)CSc1ccco1 62a_100000033060_100009814098 [0,1,0,0,0,0|1,0,1]=3 1265 B13R1.153 C=CCOC(=O)CSc1ccco1 62a_100009814098_100000033060 [0,1,0,0,0,0|1,0,1]=3 1266 B13R1.153 C=CCOC(=O)CSc1cccs1 62a_100000033060_100011215356 [0,1,0,0,0,0|1,1,1]=4 1267 B13R1.153 C=CCOC(=O)CSc1cccs1 62a_100011215356_100000033060 [0,1,0,0,0,0|1,1,1]=4 1268 B13R1.153 C=CCOC(=O)CSc1cnco1 62a_100000033060_100020591547 [0,1,0,0,0,0|2,0,1]=4 1269 B13R1.153 C=CCOC(=O)CSc1cnco1 62a_100020591547_100000033060 [0,1,0,0,0,0|2,0,1]=4 1270 B13R1.153 C=CCOC(=O)CSc1ncco1 62a_100000033060_100011787736 [0,1,0,0,0,0|2,0,1]=4 1271 B13R1.153 C=CCOC(=O)CSc1ncco1 62a_100011787736_100000033060 [0,1,0,0,0,0|2,0,1]=4 1272 B13R1.153 CC#CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000748600 [0,1,0,0,0,0|2,0,1]=4 1273 B13R1.153 CC#CCC(=O)CCc1ccco1 1458a_100000185103_100000748600 [0,1,0,0,0,0|1,0,1]=3 1274 B13R1.153 CC#CCC(=O)CCc1cccs1 1458a_100000185280_100000748600 [0,1,0,0,0,0|1,1,1]=4 1275 B13R1.153 CC(CCc1ccco1)NCCF 2230a_100000199034_100011217306 [0,1,0,0,0,0|2,0,1]=4 1276 B13R1.153 CC(CCc1ccco1)NCCF 34a_100000199034_100011217306 [0,1,0,0,0,0|2,0,1]=4 1277 B13R1.153 CC(CCc1ccco1)NCCO 2230a_100000199034_100000211926 [0,1,0,0,0,0|2,0,1]=4 1278 B13R1.153 CC(CCc1ccco1)NCCO 34a_100000199034_100000211926 [0,1,0,0,0,0|2,0,1]=4 1279 B13R1.153 CC=CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000070051 [0,1,0,0,0,0|2,0,1]=4 1280 B13R1.153 CC=CCC(=O)CCc1ccco1 1458a_100000185103_100000070051 [0,1,0,0,0,0|1,0,1]=3 1281 B13R1.153 CC=CCC(=O)CCc1cccs1 1458a_100000185280_100000070051 [0,1,0,0,0,0|1,1,1]=4 1282 B13R1.153 CC=CCC(=O)CCc1cccs1 1458a_100121576822_100000748579 [0,1,0,0,0,0|1,1,1]=4 1283 B13R1.153 CC=CCC(=O)NCc1ccco1 11a_100000185738_100121576822 [0,1,0,0,0,0|2,0,1]=4 1284 B13R1.153 CC=CCC(=O)NCc1ccco1 1626a_100000185738_100121576822 [0,1,0,0,0,0|2,0,1]=4 1285 B13R1.153 CC=CCC(=O)NCc1ccco1 240690a_100000185738_100121576822 [0,1,0,0,0,0|2,0,1]=4 1286 B13R1.153 CC=CCC(=O)NCc1ccco1 527a_100000185738_100121576822 [0,1,0,0,0,0|2,0,1]=4 1287 B13R1.153 CCC#CC(=O)CCc1c[nH]cn1 1458a_100011827653_100020628418 [0,1,0,0,0,0|3,0,0]=4 1288 B13R1.153 CCC#CC(=O)CCc1cccs1 1458a_100011827653_100000748579 [0,1,0,0,0,0|1,1,0]=3 1289 B13R1.153 CCC#CC(=O)CCn1cccc1 1458a_100011827653_200000035178 [0,1,0,0,0,0|3,0,0]=4 1290 B13R1.153 CCC#CC(=O)CCn1cccn1 1458a_100011827653_100000685285 [0,1,0,0,0,0|3,0,0]=4 1291 B13R1.153 CCC=CC(=O)CCc1c[nH]cn1 1458a_100000212282_100020628418 [0,1,0,0,0,0|3,0,0]=4 1292 B13R1.153 CCC=CC(=O)CCc1cccs1 1458a_100000212282_100000748579 [0,1,0,0,0,0|1,1,0]=3 1293 B13R1.153 CCC=CC(=O)CCn1cccc1 1458a_100000212282_200000035178 [0,1,0,0,0,0|3,0,0]=4 1294 B13R1.153 CCC=CC(=O)CCn1cccn1 1458a_100000212282_100000685285 [0,1,0,0,0,0|3,0,0]=4 1295 B13R1.153 CCC=CC(=O)NCc1ccc[nH]1 11a_100000764082_100000212282 [0,1,0,0,0,0|3,0,0]=4 1296 B13R1.153 CCC=CC(=O)NCc1ccc[nH]1 240690a_100000764082_100000212282 [0,1,0,0,0,0|3,0,0]=4 1297 B13R1.153 CCC=CC(=O)NCc1ccco1 11a_100000185738_100000212282 [0,1,0,0,0,0|2,0,0]=3 1298 B13R1.153 CCC=CC(=O)NCc1ccco1 1626a_100000185738_100000212282 [0,1,0,0,0,0|2,0,0]=3 1299 B13R1.153 CCC=CC(=O)NCc1ccco1 240690a_100000185738_100000212282 [0,1,0,0,0,0|2,0,0]=3 1300 B13R1.153 CCC=CC(=O)NCc1cccs1 11a_100000211653_100000212282 [0,1,0,0,0,0|2,1,0]=4 1301 B13R1.153 CCC=CC(=O)NCc1cccs1 1626a_100000211653_100000212282 [0,1,0,0,0,0|2,1,0]=4 1302 B13R1.153 CCC=CC(=O)NCc1cccs1 240690a_100000211653_100000212282 [0,1,0,0,0,0|2,1,0]=4 1303 B13R1.153 CCC=CC(=O)NCc1cnco1 11a_100020634212_100000212282 [0,1,0,0,0,0|3,0,0]=4 1304 B13R1.153 CCC=CC(=O)NCc1cnco1 240690a_100020634212_100000212282 [0,1,0,0,0,0|3,0,0]=4 1305 B13R1.153 CCC=CC(=O)NCc1ncco1 11a_100016994969_100000212282 [0,1,0,0,0,0|3,0,0]=4 1306 B13R1.153 CCC=CC(=O)NCc1ncco1 1626a_100016994969_100000212282 [0,1,0,0,0,0|3,0,0]=4 1307 B13R1.153 CCC=CC(=O)NCc1ncco1 240690a_100016994969_100000212282 [0,1,0,0,0,0|3,0,0]=4 1308 B13R1.153 CCCCC(=O)CCc1c[nH]cn1 1458a_100000210183_100020628418 [0,1,0,0,0,0|3,0,0]=4 1309 B13R1.153 CCCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210211 [0,1,0,0,0,0|3,0,0]=4 1310 B13R1.153 CCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210211 [0,1,0,0,0,0|2,0,0]=3 1311 B13R1.153 CCCCC(=O)CCc1ccco1 1458a_100000185103_100000210211 [0,1,0,0,0,0|1,0,0]=2 1312 B13R1.153 CCCCC(=O)CCc1cccs1 1458a_100000185280_100000210211 [0,1,0,0,0,0|1,1,0]=3 1313 B13R1.153 CCCCC(=O)CCc1cccs1 1458a_100000210183_100000748579 [0,1,0,0,0,0|1,1,0]=3 1314 B13R1.153 CCCCC(=O)CCc1ccsc1 1458a_100000195497_100000210211 [0,1,0,0,0,0|3,0,0]=4 1315 B13R1.153 CCCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210211 [0,1,0,0,0,0|3,0,0]=4 1316 B13R1.153 CCCCC(=O)CCc1cncs1 1458a_100012184922_100000210211 [0,1,0,0,0,0|2,1,0]=4 1317 B13R1.153 CCCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210211 [0,1,0,0,0,0|3,0,0]=4 1318 B13R1.153 CCCCC(=O)CCc1nccs1 1458a_100000742873_100000210211 [0,1,0,0,0,0|2,1,0]=4 1319 B13R1.153 CCCCC(=O)CCn1cccc1 1458a_100000210183_200000035178 [0,1,0,0,0,0|3,0,0]=4 1320 B13R1.153 CCCCC(=O)CCn1cccc1 1458a_100011196273_100000210211 [0,1,0,0,0,0|3,0,0]=4 1321 B13R1.153 CCCCC(=O)CCn1cccn1 1458a_100000210183_100000685285 [0,1,0,0,0,0|3,0,0]=4 1322 B13R1.153 CCCCC(=O)CCn1cccn1 1458a_100000242649_100000210211 [0,1,0,0,0,0|3,0,0]=4 1323 B13R1.153 CCCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210183 [0,1,0,0,0,0|3,0,0]=4 1324 B13R1.153 CCCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210183 [0,1,0,0,0,0|3,0,0]=4 1325 B13R1.153 CCCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210183 [0,1,0,0,0,0|3,0,0]=4 1326 B13R1.153 CCCCC(=O)NCc1ccco1 11a_100000185738_100000210183 [0,1,0,0,0,0|2,0,0]=3 1327 B13R1.153 CCCCC(=O)NCc1ccco1 1626a_100000185738_100000210183 [0,1,0,0,0,0|2,0,0]=3 1328 B13R1.153 CCCCC(=O)NCc1ccco1 240690a_100000185738_100000210183 [0,1,0,0,0,0|2,0,0]=3 1329 B13R1.153 CCCCC(=O)NCc1ccco1 527a_100000185738_100000210183 [0,1,0,0,0,0|2,0,0]=3 1330 B13R1.153 CCCCC(=O)NCc1cccs1 11a_100000211653_100000210183 [0,1,0,0,0,0|2,1,0]=4 1331 B13R1.153 CCCCC(=O)NCc1cccs1 1626a_100000211653_100000210183 [0,1,0,0,0,0|2,1,0]=4 1332 B13R1.153 CCCCC(=O)NCc1cccs1 240690a_100000211653_100000210183 [0,1,0,0,0,0|2,1,0]=4 1333 B13R1.153 CCCCC(=O)NCc1cccs1 527a_100000211653_100000210183 [0,1,0,0,0,0|2,1,0]=4 1334 B13R1.153 CCCCC(=O)NCc1cnco1 11a_100020634212_100000210183 [0,1,0,0,0,0|3,0,0]=4 1335 B13R1.153 CCCCC(=O)NCc1cnco1 240690a_100020634212_100000210183 [0,1,0,0,0,0|3,0,0]=4 1336 B13R1.153 CCCCC(=O)NCc1cnco1 527a_100020634212_100000210183 [0,1,0,0,0,0|3,0,0]=4 1337 B13R1.153 CCCCC(=O)NCc1ncco1 11a_100016994969_100000210183 [0,1,0,0,0,0|3,0,0]=4 1338 B13R1.153 CCCCC(=O)NCc1ncco1 1626a_100016994969_100000210183 [0,1,0,0,0,0|3,0,0]=4 1339 B13R1.153 CCCCC(=O)NCc1ncco1 240690a_100016994969_100000210183 [0,1,0,0,0,0|3,0,0]=4 1340 B13R1.153 CCCCC(=O)NCc1ncco1 527a_100016994969_100000210183 [0,1,0,0,0,0|3,0,0]=4 1341 B13R1.153 CCCNC(=O)CCc1cc[nH]c1 11a_100020643023_200000093579 [0,1,0,0,0,0|3,0,0]=4 1342 B13R1.153 CCCNC(=O)CCc1cc[nH]c1 240690a_100020643023_200000093579 [0,1,0,0,0,0|3,0,0]=4 1343 B13R1.153 CCCNC(=O)CCc1cc[nH]c1 527a_100020643023_200000093579 [0,1,0,0,0,0|3,0,0]=4 1344 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 11a_100020643023_200011998680 [0,1,0,0,0,0|2,0,0]=3 1345 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 240690a_100020643023_200011998680 [0,1,0,0,0,0|2,0,0]=3 1346 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 527a_100020643023_200011998680 [0,1,0,0,0,0|2,0,0]=3 1347 B13R1.153 CCCNC(=O)CCc1ccco1 11a_100020643023_100000185103 [0,1,0,0,0,0|1,0,0]=2 1348 B13R1.153 CCCNC(=O)CCc1ccco1 1626a_100020643023_100000185103 [0,1,0,0,0,0|1,0,0]=2 1349 B13R1.153 CCCNC(=O)CCc1ccco1 527a_100020643023_100000185103 [0,1,0,0,0,0|1,0,0]=2 1350 B13R1.153 CCCNC(=O)CCc1cccs1 11a_100020643023_100000185280 [0,1,0,0,0,0|1,1,0]=3 1351 B13R1.153 CCCNC(=O)CCc1cccs1 1626a_100020643023_100000185280 [0,1,0,0,0,0|1,1,0]=3 1352 B13R1.153 CCCNC(=O)CCc1cccs1 240690a_100020643023_100000185280 [0,1,0,0,0,0|1,1,0]=3 1353 B13R1.153 CCCNC(=O)CCc1cccs1 527a_100020643023_100000185280 [0,1,0,0,0,0|1,1,0]=3 1354 B13R1.153 CCCNC(=O)CCc1ccsc1 11a_100020643023_100000195497 [0,1,0,0,0,0|3,0,0]=4 1355 B13R1.153 CCCNC(=O)CCc1ccsc1 1626a_100020643023_100000195497 [0,1,0,0,0,0|3,0,0]=4 1356 B13R1.153 CCCNC(=O)CCc1ccsc1 240690a_100020643023_100000195497 [0,1,0,0,0,0|3,0,0]=4 1357 B13R1.153 CCCNC(=O)CCc1ccsc1 527a_100020643023_100000195497 [0,1,0,0,0,0|3,0,0]=4 1358 B13R1.153 CCCNC(=O)CCc1cnc[nH]1 240690a_100020643023_100000044180 [0,1,0,0,0,0|3,0,0]=4 1359 B13R1.153 CCCNC(=O)CCc1cnc[nH]1 527a_100020643023_100000044180 [0,1,0,0,0,0|3,0,0]=4 1360 B13R1.153 CCCNC(=O)CCc1cncs1 11a_100020643023_100012184922 [0,1,0,0,0,0|2,1,0]=4 1361 B13R1.153 CCCNC(=O)CCc1cncs1 1626a_100020643023_100012184922 [0,1,0,0,0,0|2,1,0]=4 1362 B13R1.153 CCCNC(=O)CCc1cncs1 240690a_100020643023_100012184922 [0,1,0,0,0,0|2,1,0]=4 1363 B13R1.153 CCCNC(=O)CCc1cncs1 527a_100020643023_100012184922 [0,1,0,0,0,0|2,1,0]=4 1364 B13R1.153 CCCNC(=O)CCc1ncc[nH]1 240690a_100020643023_100000722789 [0,1,0,0,0,0|3,0,0]=4 1365 B13R1.153 CCCNC(=O)CCc1ncc[nH]1 527a_100020643023_100000722789 [0,1,0,0,0,0|3,0,0]=4 1366 B13R1.153 CCCNC(=O)CCc1nccs1 11a_100020643023_100000742873 [0,1,0,0,0,0|2,1,0]=4 1367 B13R1.153 CCCNC(=O)CCc1nccs1 1626a_100020643023_100000742873 [0,1,0,0,0,0|2,1,0]=4 1368 B13R1.153 CCCNC(=O)CCc1nccs1 240690a_100020643023_100000742873 [0,1,0,0,0,0|2,1,0]=4 1369 B13R1.153 CCCNC(=O)CCc1nccs1 527a_100020643023_100000742873 [0,1,0,0,0,0|2,1,0]=4 1370 B13R1.153 CCCNC(=O)CCn1cccc1 11a_100020643023_100011196273 [0,1,0,0,0,0|3,0,0]=4 1371 B13R1.153 CCCNC(=O)CCn1cccc1 1626a_100020643023_100011196273 [0,1,0,0,0,0|3,0,0]=4 1372 B13R1.153 CCCNC(=O)CCn1cccc1 527a_100020643023_100011196273 [0,1,0,0,0,0|3,0,0]=4 1373 B13R1.153 CCCNC(=O)CCn1cccn1 11a_100020643023_100000242649 [0,1,0,0,0,0|3,0,0]=4 1374 B13R1.153 CCCNC(=O)CCn1cccn1 1626a_100020643023_100000242649 [0,1,0,0,0,0|3,0,0]=4 1375 B13R1.153 CCCNC(=O)CCn1cccn1 240690a_100020643023_100000242649 [0,1,0,0,0,0|3,0,0]=4 1376 B13R1.153 CCCNC(=O)CCn1cccn1 527a_100020643023_100000242649 [0,1,0,0,0,0|3,0,0]=4 1377 B13R1.153 CCCNC(=O)CSc1ccco1 62a_100000183358_100009814098 [0,1,0,0,0,0|2,0,0]=3 1378 B13R1.153 CCCNC(=O)CSc1ccco1 62a_100009814098_100000183358 [0,1,0,0,0,0|2,0,0]=3 1379 B13R1.153 CCCNC(=O)CSc1cccs1 62a_100000183358_100011215356 [0,1,0,0,0,0|2,1,0]=4 1380 B13R1.153 CCCNC(=O)CSc1cccs1 62a_100011215356_100000183358 [0,1,0,0,0,0|2,1,0]=4 1381 B13R1.153 CCCNC(=O)CSc1cnco1 62a_100000183358_100020591547 [0,1,0,0,0,0|3,0,0]=4 1382 B13R1.153 CCCNC(=O)CSc1cnco1 62a_100020591547_100000183358 [0,1,0,0,0,0|3,0,0]=4 1383 B13R1.153 CCCNC(=O)CSc1ncco1 62a_100000183358_100011787736 [0,1,0,0,0,0|3,0,0]=4 1384 B13R1.153 CCCNC(=O)CSc1ncco1 62a_100011787736_100000183358 [0,1,0,0,0,0|3,0,0]=4 1385 B13R1.153 CCCNC(=O)NCc1ccc[nH]1 273464a_100000764082_100020643023 [0,1,0,0,0,0|3,0,0]=4 1386 B13R1.153 CCCNC(=O)NCc1ccc[nH]1 273464a_100020643023_100000764082 [0,1,0,0,0,0|3,0,0]=4 1387 B13R1.153 CCCNC(=O)NCc1ccc[nH]1 512a_100020643023_100000764082 [0,1,0,0,0,0|3,0,0]=4 1388 B13R1.153 CCCNC(=O)NCc1ccco1 2708a_100000185738_100020643023 [0,1,0,0,0,0|2,0,0]=3 1389 B13R1.153 CCCNC(=O)NCc1ccco1 2708a_100020643023_100000185738 [0,1,0,0,0,0|2,0,0]=3 1390 B13R1.153 CCCNC(=O)NCc1ccco1 273464a_100000185738_100020643023 [0,1,0,0,0,0|2,0,0]=3 1391 B13R1.153 CCCNC(=O)NCc1ccco1 512a_100000185738_100020643023 [0,1,0,0,0,0|2,0,0]=3 1392 B13R1.153 CCCNC(=O)NCc1ccco1 512a_100020643023_100000185738 [0,1,0,0,0,0|2,0,0]=3 1393 B13R1.153 CCCNC(=O)NCc1cccs1 2708a_100000211653_100020643023 [0,1,0,0,0,0|2,1,0]=4 1394 B13R1.153 CCCNC(=O)NCc1cccs1 2708a_100020643023_100000211653 [0,1,0,0,0,0|2,1,0]=4 1395 B13R1.153 CCCNC(=O)NCc1cccs1 273464a_100000211653_100020643023 [0,1,0,0,0,0|2,1,0]=4 1396 B13R1.153 CCCNC(=O)NCc1cccs1 273464a_100020643023_100000211653 [0,1,0,0,0,0|2,1,0]=4 1397 B13R1.153 CCCNC(=O)NCc1cccs1 512a_100000211653_100020643023 [0,1,0,0,0,0|2,1,0]=4 1398 B13R1.153 CCCNC(=O)NCc1cccs1 512a_100020643023_100000211653 [0,1,0,0,0,0|2,1,0]=4 1399 B13R1.153 CCCNC(=O)NCc1cnco1 2708a_100020634212_100020643023 [0,1,0,0,0,0|3,0,0]=4 1400 B13R1.153 CCCNC(=O)NCc1cnco1 2708a_100020643023_100020634212 [0,1,0,0,0,0|3,0,0]=4 1401 B13R1.153 CCCNC(=O)NCc1cnco1 273464a_100020634212_100020643023 [0,1,0,0,0,0|3,0,0]=4 1402 B13R1.153 CCCNC(=O)NCc1cnco1 273464a_100020643023_100020634212 [0,1,0,0,0,0|3,0,0]=4 1403 B13R1.153 CCCNC(=O)NCc1cnco1 512a_100020634212_100020643023 [0,1,0,0,0,0|3,0,0]=4 1404 B13R1.153 CCCNC(=O)NCc1cnco1 512a_100020643023_100020634212 [0,1,0,0,0,0|3,0,0]=4 1405 B13R1.153 CCCNC(=O)NCc1ncco1 2708a_100016994969_100020643023 [0,1,0,0,0,0|3,0,0]=4 1406 B13R1.153 CCCNC(=O)NCc1ncco1 2708a_100020643023_100016994969 [0,1,0,0,0,0|3,0,0]=4 1407 B13R1.153 CCCNC(=O)NCc1ncco1 273464a_100016994969_100020643023 [0,1,0,0,0,0|3,0,0]=4 1408 B13R1.153 CCCNC(=O)NCc1ncco1 273464a_100020643023_100016994969 [0,1,0,0,0,0|3,0,0]=4 1409 B13R1.153 CCCNC(=O)NCc1ncco1 512a_100016994969_100020643023 [0,1,0,0,0,0|3,0,0]=4 1410 B13R1.153 CCCNC(=O)NCc1ncco1 512a_100020643023_100016994969 [0,1,0,0,0,0|3,0,0]=4 1411 B13R1.153 CCCNC(C)CCc1ccco1 2230a_100000199034_100000210303 [0,1,0,0,0,0|2,0,1]=4 1412 B13R1.153 CCCNC(C)CCc1ccco1 34a_100000199034_100000210303 [0,1,0,0,0,0|2,0,1]=4 1413 B13R1.153 CCCOC(=O)COc1ccsc1 34a_100000106738_200011215008 [0,1,0,0,0,0|3,0,0]=4 1414 B13R1.153 CCCOC(=O)COc1ccsc1 7a_100000106738_200011215008 [0,1,0,0,0,0|3,0,0]=4 1415 B13R1.153 CCCOC(=O)CSc1c[nH]cn1 62a_100000756875_200011215008 [0,1,0,0,0,0|3,0,0]=4 1416 B13R1.153 CCCOC(=O)CSc1c[nH]cn1 62a_200011215008_100000756875 [0,1,0,0,0,0|3,0,0]=4 1417 B13R1.153 CCCOC(=O)CSc1cc[nH]n1 62a_100000062575_200011215008 [0,1,0,0,0,0|3,0,0]=4 1418 B13R1.153 CCCOC(=O)CSc1cc[nH]n1 62a_200011215008_100000062575 [0,1,0,0,0,0|3,0,0]=4 1419 B13R1.153 CCCOC(=O)CSc1ccco1 62a_100009814098_200011215008 [0,1,0,0,0,0|1,0,0]=2 1420 B13R1.153 CCCOC(=O)CSc1ccco1 62a_200011215008_100009814098 [0,1,0,0,0,0|1,0,0]=2 1421 B13R1.153 CCCOC(=O)CSc1cccs1 62a_100011215356_200011215008 [0,1,0,0,0,0|1,1,0]=3 1422 B13R1.153 CCCOC(=O)CSc1cccs1 62a_200011215008_100011215356 [0,1,0,0,0,0|1,1,0]=3 1423 B13R1.153 CCCOC(=O)CSc1ccoc1 62a_100011215275_200011215008 [0,1,0,0,0,0|3,0,0]=4 1424 B13R1.153 CCCOC(=O)CSc1ccoc1 62a_200011215008_100011215275 [0,1,0,0,0,0|3,0,0]=4 1425 B13R1.153 CCCOC(=O)CSc1ccon1 62a_100009818083_200011215008 [0,1,0,0,0,0|3,0,0]=4 1426 B13R1.153 CCCOC(=O)CSc1ccon1 62a_200011215008_100009818083 [0,1,0,0,0,0|3,0,0]=4 1427 B13R1.153 CCCOC(=O)CSc1ccsc1 62a_100000738268_200011215008 [0,1,0,0,0,0|3,0,0]=4 1428 B13R1.153 CCCOC(=O)CSc1ccsc1 62a_200011215008_100000738268 [0,1,0,0,0,0|3,0,0]=4 1429 B13R1.153 CCCOC(=O)CSc1ccsn1 62a_100009818082_200011215008 [0,1,0,0,0,0|3,0,0]=4 1430 B13R1.153 CCCOC(=O)CSc1ccsn1 62a_200011215008_100009818082 [0,1,0,0,0,0|3,0,0]=4 1431 B13R1.153 CCCOC(=O)CSc1cnco1 62a_100020591547_200011215008 [0,1,0,0,0,0|2,0,0]=3 1432 B13R1.153 CCCOC(=O)CSc1cnco1 62a_200011215008_100020591547 [0,1,0,0,0,0|2,0,0]=3 1433 B13R1.153 CCCOC(=O)CSc1cncs1 62a_100011934649_200011215008 [0,1,0,0,0,0|2,1,0]=4 1434 B13R1.153 CCCOC(=O)CSc1cncs1 62a_200011215008_100011934649 [0,1,0,0,0,0|2,1,0]=4 1435 B13R1.153 CCCOC(=O)CSc1cscn1 62a_100000751502_200011215008 [0,1,0,0,0,0|3,0,0]=4 1436 B13R1.153 CCCOC(=O)CSc1cscn1 62a_200011215008_100000751502 [0,1,0,0,0,0|3,0,0]=4 1437 B13R1.153 CCCOC(=O)CSc1ncc[nH]1 62a_100025796157_200011215008 [0,1,0,0,0,0|3,0,0]=4 1438 B13R1.153 CCCOC(=O)CSc1ncc[nH]1 62a_200011215008_100025796157 [0,1,0,0,0,0|3,0,0]=4 1439 B13R1.153 CCCOC(=O)CSc1ncco1 62a_100011787736_200011215008 [0,1,0,0,0,0|2,0,0]=3 1440 B13R1.153 CCCOC(=O)CSc1ncco1 62a_200011215008_100011787736 [0,1,0,0,0,0|2,0,0]=3 1441 B13R1.153 CCCOC(=O)CSc1nccs1 62a_100000211983_200011215008 [0,1,0,0,0,0|2,1,0]=4 1442 B13R1.153 CCCOC(=O)CSc1nccs1 62a_200011215008_100000211983 [0,1,0,0,0,0|2,1,0]=4 1443 B13R1.153 CCNCC(=O)NCc1ccco1 2230a_100000741066_100000210202 [0,1,0,0,0,0|2,0,0]=3 1444 B13R1.153 CCNCC(=O)NCc1ccco1 2230a_100015525214_100000183421 [0,1,0,0,0,0|2,0,0]=3 1445 B13R1.153 CCNCC(=O)NCc1cccs1 2230a_100015525214_100000182718 [0,1,0,0,0,0|2,1,0]=4 1446 B13R1.153 CCNNC(=O)C=Cc1ccco1 22a_100000756455_100000720202 [0,1,0,0,0,0|1,0,2]=4 1447 B13R1.153 CCNNC(=O)CCc1cc[nH]c1 22a_100000756455_200000093579 [0,1,0,0,0,0|3,0,0]=4 1448 B13R1.153 CCNNC(=O)CCc1ccc[nH]1 22a_100000756455_200011998680 [0,1,0,0,0,0|2,0,0]=3 1449 B13R1.153 CCNNC(=O)CCc1ccco1 22a_100000756455_100000185103 [0,1,0,0,0,0|1,0,0]=2 1450 B13R1.153 CCNNC(=O)CCc1cccs1 22a_100000756455_100000185280 [0,1,0,0,0,0|1,1,0]=3 1451 B13R1.153 CCNNC(=O)CCc1ccsc1 22a_100000756455_100000195497 [0,1,0,0,0,0|3,0,0]=4 1452 B13R1.153 CCNNC(=O)CCc1cnc[nH]1 22a_100000756455_100000044180 [0,1,0,0,0,0|3,0,0]=4 1453 B13R1.153 CCNNC(=O)CCc1cncs1 22a_100000756455_100012184922 [0,1,0,0,0,0|2,1,0]=4 1454 B13R1.153 CCNNC(=O)CCc1ncc[nH]1 22a_100000756455_100000722789 [0,1,0,0,0,0|3,0,0]=4 1455 B13R1.153 CCNNC(=O)CCc1nccs1 22a_100000756455_100000742873 [0,1,0,0,0,0|2,1,0]=4 1456 B13R1.153 CCNNC(=O)CCn1cccc1 22a_100000756455_100011196273 [0,1,0,0,0,0|3,0,0]=4 1457 B13R1.153 CCNNC(=O)CCn1cccn1 22a_100000756455_100000242649 [0,1,0,0,0,0|3,0,0]=4 1458 B13R1.153 CCNNC(=O)NCc1ccc[nH]1 273464a_100000764082_100000756455 [0,1,0,0,0,0|3,0,0]=4 1459 B13R1.153 CCNNC(=O)NCc1ccc[nH]1 512a_100000756455_100000764082 [0,1,0,0,0,0|3,0,0]=4 1460 B13R1.153 CCNNC(=O)NCc1ccco1 273464a_100000185738_100000756455 [0,1,0,0,0,0|2,0,0]=3 1461 B13R1.153 CCNNC(=O)NCc1ccco1 512a_100000185738_100000756455 [0,1,0,0,0,0|2,0,0]=3 1462 B13R1.153 CCNNC(=O)NCc1ccco1 512a_100000756455_100000185738 [0,1,0,0,0,0|2,0,0]=3 1463 B13R1.153 CCNNC(=O)NCc1cccs1 273464a_100000211653_100000756455 [0,1,0,0,0,0|2,1,0]=4 1464 B13R1.153 CCNNC(=O)NCc1cccs1 512a_100000211653_100000756455 [0,1,0,0,0,0|2,1,0]=4 1465 B13R1.153 CCNNC(=O)NCc1cccs1 512a_100000756455_100000211653 [0,1,0,0,0,0|2,1,0]=4 1466 B13R1.153 CCNNC(=O)NCc1cnco1 273464a_100020634212_100000756455 [0,1,0,0,0,0|3,0,0]=4 1467 B13R1.153 CCNNC(=O)NCc1cnco1 512a_100000756455_100020634212 [0,1,0,0,0,0|3,0,0]=4 1468 B13R1.153 CCNNC(=O)NCc1cnco1 512a_100020634212_100000756455 [0,1,0,0,0,0|3,0,0]=4 1469 B13R1.153 CCNNC(=O)NCc1ncco1 273464a_100016994969_100000756455 [0,1,0,0,0,0|3,0,0]=4 1470 B13R1.153 CCNNC(=O)NCc1ncco1 512a_100000756455_100016994969 [0,1,0,0,0,0|3,0,0]=4 1471 B13R1.153 CCNNC(=O)NCc1ncco1 512a_100016994969_100000756455 [0,1,0,0,0,0|3,0,0]=4 1472 B13R1.153 CCOCC(=O)CCc1c[nH]cn1 1458a_100000211967_100020628418 [0,1,0,0,0,0|2,0,0]=3 1473 B13R1.153 CCOCC(=O)CCc1cccs1 1458a_100000211967_100000748579 [0,1,0,0,0,0|0,1,0]=2 1474 B13R1.153 CCOCC(=O)CCc1cn[nH]c1 1458a_100000211967_100000743252 [0,1,0,0,0,0|3,0,0]=4 1475 B13R1.153 CCOCC(=O)CCn1cccc1 1458a_100000211967_200000035178 [0,1,0,0,0,0|2,0,0]=3 1476 B13R1.153 CCOCC(=O)CCn1cccn1 1458a_100000211967_100000685285 [0,1,0,0,0,0|2,0,0]=3 1477 B13R1.153 CCOCC(=O)CCn1ccnc1 1458a_100000211967_100000702546 [0,1,0,0,0,0|3,0,0]=4 1478 B13R1.153 CCOCC(=O)CCn1cncn1 1458a_100000211967_100000731791 [0,1,0,0,0,0|3,0,0]=4 1479 B13R1.153 CCOCC(=O)NCc1c[nH]cn1 11a_100000758547_100000211967 [0,1,0,0,0,0|3,0,0]=4 1480 B13R1.153 CCOCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000211967 [0,1,0,0,0,0|3,0,0]=4 1481 B13R1.153 CCOCC(=O)NCc1c[nH]cn1 527a_100000758547_100000211967 [0,1,0,0,0,0|3,0,0]=4 1482 B13R1.153 CCOCC(=O)NCc1cc[nH]n1 11a_100000739516_100000211967 [0,1,0,0,0,0|3,0,0]=4 1483 B13R1.153 CCOCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000211967 [0,1,0,0,0,0|3,0,0]=4 1484 B13R1.153 CCOCC(=O)NCc1cc[nH]n1 527a_100000739516_100000211967 [0,1,0,0,0,0|3,0,0]=4 1485 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 11a_100000764082_100000211967 [0,1,0,0,0,0|2,0,0]=3 1486 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000211967 [0,1,0,0,0,0|2,0,0]=3 1487 B13R1.153 CCOCC(=O)NCc1ccc[nH]1 527a_100000764082_100000211967 [0,1,0,0,0,0|2,0,0]=3 1488 B13R1.153 CCOCC(=O)NCc1ccco1 11a_100000185738_100000211967 [0,1,0,0,0,0|1,0,0]=2 1489 B13R1.153 CCOCC(=O)NCc1ccco1 1626a_100000185738_100000211967 [0,1,0,0,0,0|1,0,0]=2 1490 B13R1.153 CCOCC(=O)NCc1ccco1 240690a_100000185738_100000211967 [0,1,0,0,0,0|1,0,0]=2 1491 B13R1.153 CCOCC(=O)NCc1ccco1 34a_100121572206_100000183421 [0,1,0,0,0,0|1,0,0]=2 1492 B13R1.153 CCOCC(=O)NCc1ccco1 527a_100000185738_100000211967 [0,1,0,0,0,0|1,0,0]=2 1493 B13R1.153 CCOCC(=O)NCc1cccs1 11a_100000211653_100000211967 [0,1,0,0,0,0|1,1,0]=3 1494 B13R1.153 CCOCC(=O)NCc1cccs1 1626a_100000211653_100000211967 [0,1,0,0,0,0|1,1,0]=3 1495 B13R1.153 CCOCC(=O)NCc1cccs1 240690a_100000211653_100000211967 [0,1,0,0,0,0|1,1,0]=3 1496 B13R1.153 CCOCC(=O)NCc1cccs1 34a_100121572206_100000182718 [0,1,0,0,0,0|1,1,0]=3 1497 B13R1.153 CCOCC(=O)NCc1cccs1 527a_100000211653_100000211967 [0,1,0,0,0,0|1,1,0]=3 1498 B13R1.153 CCOCC(=O)NCc1ccoc1 11a_100015206860_100000211967 [0,1,0,0,0,0|3,0,0]=4 1499 B13R1.153 CCOCC(=O)NCc1ccoc1 1626a_100015206860_100000211967 [0,1,0,0,0,0|3,0,0]=4 1500 B13R1.153 CCOCC(=O)NCc1ccoc1 240690a_100015206860_100000211967 [0,1,0,0,0,0|3,0,0]=4 1501 B13R1.153 CCOCC(=O)NCc1ccoc1 527a_100015206860_100000211967 [0,1,0,0,0,0|3,0,0]=4 1502 B13R1.153 CCOCC(=O)NCc1ccon1 11a_100000688301_100000211967 [0,1,0,0,0,0|3,0,0]=4 1503 B13R1.153 CCOCC(=O)NCc1ccon1 240690a_100000688301_100000211967 [0,1,0,0,0,0|3,0,0]=4 1504 B13R1.153 CCOCC(=O)NCc1ccon1 527a_100000688301_100000211967 [0,1,0,0,0,0|3,0,0]=4 1505 B13R1.153 CCOCC(=O)NCc1ccsc1 11a_100000186416_100000211967 [0,1,0,0,0,0|3,0,0]=4 1506 B13R1.153 CCOCC(=O)NCc1ccsc1 1626a_100000186416_100000211967 [0,1,0,0,0,0|3,0,0]=4 1507 B13R1.153 CCOCC(=O)NCc1ccsc1 240690a_100000186416_100000211967 [0,1,0,0,0,0|3,0,0]=4 1508 B13R1.153 CCOCC(=O)NCc1ccsc1 527a_100000186416_100000211967 [0,1,0,0,0,0|3,0,0]=4 1509 B13R1.153 CCOCC(=O)NCc1cnco1 11a_100020634212_100000211967 [0,1,0,0,0,0|2,0,0]=3 1510 B13R1.153 CCOCC(=O)NCc1cnco1 240690a_100020634212_100000211967 [0,1,0,0,0,0|2,0,0]=3 1511 B13R1.153 CCOCC(=O)NCc1cnco1 527a_100020634212_100000211967 [0,1,0,0,0,0|2,0,0]=3 1512 B13R1.153 CCOCC(=O)NCc1cncs1 11a_100016987365_100000211967 [0,1,0,0,0,0|2,1,0]=4 1513 B13R1.153 CCOCC(=O)NCc1cncs1 240690a_100016987365_100000211967 [0,1,0,0,0,0|2,1,0]=4 1514 B13R1.153 CCOCC(=O)NCc1cncs1 527a_100016987365_100000211967 [0,1,0,0,0,0|2,1,0]=4 1515 B13R1.153 CCOCC(=O)NCc1cocn1 11a_100015188801_100000211967 [0,1,0,0,0,0|3,0,0]=4 1516 B13R1.153 CCOCC(=O)NCc1cocn1 240690a_100015188801_100000211967 [0,1,0,0,0,0|3,0,0]=4 1517 B13R1.153 CCOCC(=O)NCc1cocn1 527a_100015188801_100000211967 [0,1,0,0,0,0|3,0,0]=4 1518 B13R1.153 CCOCC(=O)NCc1cscn1 11a_100015185402_100000211967 [0,1,0,0,0,0|3,0,0]=4 1519 B13R1.153 CCOCC(=O)NCc1cscn1 1626a_100015185402_100000211967 [0,1,0,0,0,0|3,0,0]=4 1520 B13R1.153 CCOCC(=O)NCc1cscn1 240690a_100015185402_100000211967 [0,1,0,0,0,0|3,0,0]=4 1521 B13R1.153 CCOCC(=O)NCc1cscn1 527a_100015185402_100000211967 [0,1,0,0,0,0|3,0,0]=4 1522 B13R1.153 CCOCC(=O)NCc1ncc[nH]1 11a_100000754540_100000211967 [0,1,0,0,0,0|3,0,0]=4 1523 B13R1.153 CCOCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000211967 [0,1,0,0,0,0|3,0,0]=4 1524 B13R1.153 CCOCC(=O)NCc1ncc[nH]1 527a_100000754540_100000211967 [0,1,0,0,0,0|3,0,0]=4 1525 B13R1.153 CCOCC(=O)NCc1ncco1 11a_100016994969_100000211967 [0,1,0,0,0,0|2,0,0]=3 1526 B13R1.153 CCOCC(=O)NCc1ncco1 1626a_100016994969_100000211967 [0,1,0,0,0,0|2,0,0]=3 1527 B13R1.153 CCOCC(=O)NCc1ncco1 240690a_100016994969_100000211967 [0,1,0,0,0,0|2,0,0]=3 1528 B13R1.153 CCOCC(=O)NCc1ncco1 527a_100016994969_100000211967 [0,1,0,0,0,0|2,0,0]=3 1529 B13R1.153 CCOCC(=O)NCc1nccs1 11a_100000740555_100000211967 [0,1,0,0,0,0|2,1,0]=4 1530 B13R1.153 CCOCC(=O)NCc1nccs1 1626a_100000740555_100000211967 [0,1,0,0,0,0|2,1,0]=4 1531 B13R1.153 CCOCC(=O)NCc1nccs1 240690a_100000740555_100000211967 [0,1,0,0,0,0|2,1,0]=4 1532 B13R1.153 CCOCC(=O)NCc1nccs1 527a_100000740555_100000211967 [0,1,0,0,0,0|2,1,0]=4 1533 B13R1.153 CCSCC(=O)CCc1c[nH]cn1 1458a_100000230394_100020628418 [0,1,0,0,0,0|2,1,0]=4 1534 B13R1.153 CCSCC(=O)CCc1cccs1 1458a_100000230394_100000748579 [0,1,0,0,0,0|0,2,0]=3 1535 B13R1.153 CCSCC(=O)CCn1cccc1 1458a_100000230394_200000035178 [0,1,0,0,0,0|2,1,0]=4 1536 B13R1.153 CCSCC(=O)CCn1cccn1 1458a_100000230394_100000685285 [0,1,0,0,0,0|2,1,0]=4 1537 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 11a_100000764082_100000230394 [0,1,0,0,0,0|2,1,0]=4 1538 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000230394 [0,1,0,0,0,0|2,1,0]=4 1539 B13R1.153 CCSCC(=O)NCc1ccc[nH]1 527a_100000764082_100000230394 [0,1,0,0,0,0|2,1,0]=4 1540 B13R1.153 CCSCC(=O)NCc1ccco1 11a_100000185738_100000230394 [0,1,0,0,0,0|1,1,0]=3 1541 B13R1.153 CCSCC(=O)NCc1ccco1 1626a_100000185738_100000230394 [0,1,0,0,0,0|1,1,0]=3 1542 B13R1.153 CCSCC(=O)NCc1ccco1 240690a_100000185738_100000230394 [0,1,0,0,0,0|1,1,0]=3 1543 B13R1.153 CCSCC(=O)NCc1ccco1 527a_100000185738_100000230394 [0,1,0,0,0,0|1,1,0]=3 1544 B13R1.153 CCSCC(=O)NCc1ccco1 62a_100000183421_100000210202 [0,1,0,0,0,0|1,1,0]=3 1545 B13R1.153 CCSCC(=O)NCc1ccco1 62a_100000210202_100000183421 [0,1,0,0,0,0|1,1,0]=3 1546 B13R1.153 CCSCC(=O)NCc1cccs1 11a_100000211653_100000230394 [0,1,0,0,0,0|1,2,0]=4 1547 B13R1.153 CCSCC(=O)NCc1cccs1 1626a_100000211653_100000230394 [0,1,0,0,0,0|1,2,0]=4 1548 B13R1.153 CCSCC(=O)NCc1cccs1 240690a_100000211653_100000230394 [0,1,0,0,0,0|1,2,0]=4 1549 B13R1.153 CCSCC(=O)NCc1cccs1 527a_100000211653_100000230394 [0,1,0,0,0,0|1,2,0]=4 1550 B13R1.153 CCSCC(=O)NCc1cccs1 62a_100000182718_100000210202 [0,1,0,0,0,0|1,2,0]=4 1551 B13R1.153 CCSCC(=O)NCc1cccs1 62a_100000210202_100000182718 [0,1,0,0,0,0|1,2,0]=4 1552 B13R1.153 CCSCC(=O)NCc1cnco1 11a_100020634212_100000230394 [0,1,0,0,0,0|2,1,0]=4 1553 B13R1.153 CCSCC(=O)NCc1cnco1 240690a_100020634212_100000230394 [0,1,0,0,0,0|2,1,0]=4 1554 B13R1.153 CCSCC(=O)NCc1cnco1 527a_100020634212_100000230394 [0,1,0,0,0,0|2,1,0]=4 1555 B13R1.153 CCSCC(=O)NCc1ncco1 11a_100016994969_100000230394 [0,1,0,0,0,0|2,1,0]=4 1556 B13R1.153 CCSCC(=O)NCc1ncco1 1626a_100016994969_100000230394 [0,1,0,0,0,0|2,1,0]=4 1557 B13R1.153 CCSCC(=O)NCc1ncco1 240690a_100016994969_100000230394 [0,1,0,0,0,0|2,1,0]=4 1558 B13R1.153 CCSCC(=O)NCc1ncco1 527a_100016994969_100000230394 [0,1,0,0,0,0|2,1,0]=4 1559 B13R1.153 CNCCC(=O)NCc1ccco1 2230a_106832991635_200011194439 [0,1,0,0,0,0|2,0,0]=3 1560 B13R1.153 COC=CC(=O)CCc1cccs1 1458a_100016268678_100000748579 [0,1,0,0,0,0|1,1,1]=4 1561 B13R1.153 COC=CC(=O)NCc1ccco1 1626a_100000185738_100016268678 [0,1,0,0,0,0|2,0,1]=4 1562 B13R1.153 COC=CC(=O)NCc1ccco1 240690a_100000185738_100016268678 [0,1,0,0,0,0|2,0,1]=4 1563 B13R1.153 COCCC(=O)CCc1c[nH]cn1 1458a_100000749529_100020628418 [0,1,0,0,0,0|3,0,0]=4 1564 B13R1.153 COCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000233755 [0,1,0,0,0,0|3,0,0]=4 1565 B13R1.153 COCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000233755 [0,1,0,0,0,0|2,0,0]=3 1566 B13R1.153 COCCC(=O)CCc1ccco1 1458a_100000185103_100000233755 [0,1,0,0,0,0|1,0,0]=2 1567 B13R1.153 COCCC(=O)CCc1cccs1 1458a_100000185280_100000233755 [0,1,0,0,0,0|1,1,0]=3 1568 B13R1.153 COCCC(=O)CCc1cccs1 1458a_100000749529_100000748579 [0,1,0,0,0,0|1,1,0]=3 1569 B13R1.153 COCCC(=O)CCc1ccsc1 1458a_100000195497_100000233755 [0,1,0,0,0,0|3,0,0]=4 1570 B13R1.153 COCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000233755 [0,1,0,0,0,0|3,0,0]=4 1571 B13R1.153 COCCC(=O)CCc1cncs1 1458a_100012184922_100000233755 [0,1,0,0,0,0|2,1,0]=4 1572 B13R1.153 COCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000233755 [0,1,0,0,0,0|3,0,0]=4 1573 B13R1.153 COCCC(=O)CCc1nccs1 1458a_100000742873_100000233755 [0,1,0,0,0,0|2,1,0]=4 1574 B13R1.153 COCCC(=O)CCn1cccc1 1458a_100000749529_200000035178 [0,1,0,0,0,0|3,0,0]=4 1575 B13R1.153 COCCC(=O)CCn1cccc1 1458a_100011196273_100000233755 [0,1,0,0,0,0|3,0,0]=4 1576 B13R1.153 COCCC(=O)CCn1cccn1 1458a_100000242649_100000233755 [0,1,0,0,0,0|3,0,0]=4 1577 B13R1.153 COCCC(=O)CCn1cccn1 1458a_100000749529_100000685285 [0,1,0,0,0,0|3,0,0]=4 1578 B13R1.153 COCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000749529 [0,1,0,0,0,0|3,0,0]=4 1579 B13R1.153 COCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000749529 [0,1,0,0,0,0|3,0,0]=4 1580 B13R1.153 COCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000749529 [0,1,0,0,0,0|3,0,0]=4 1581 B13R1.153 COCCC(=O)NCc1ccco1 11a_100000185738_100000749529 [0,1,0,0,0,0|2,0,0]=3 1582 B13R1.153 COCCC(=O)NCc1ccco1 1626a_100000185738_100000749529 [0,1,0,0,0,0|2,0,0]=3 1583 B13R1.153 COCCC(=O)NCc1ccco1 240690a_100000185738_100000749529 [0,1,0,0,0,0|2,0,0]=3 1584 B13R1.153 COCCC(=O)NCc1ccco1 527a_100000185738_100000749529 [0,1,0,0,0,0|2,0,0]=3 1585 B13R1.153 COCCC(=O)NCc1cccs1 11a_100000211653_100000749529 [0,1,0,0,0,0|2,1,0]=4 1586 B13R1.153 COCCC(=O)NCc1cccs1 1626a_100000211653_100000749529 [0,1,0,0,0,0|2,1,0]=4 1587 B13R1.153 COCCC(=O)NCc1cccs1 240690a_100000211653_100000749529 [0,1,0,0,0,0|2,1,0]=4 1588 B13R1.153 COCCC(=O)NCc1cccs1 527a_100000211653_100000749529 [0,1,0,0,0,0|2,1,0]=4 1589 B13R1.153 COCCC(=O)NCc1cnco1 11a_100020634212_100000749529 [0,1,0,0,0,0|3,0,0]=4 1590 B13R1.153 COCCC(=O)NCc1cnco1 240690a_100020634212_100000749529 [0,1,0,0,0,0|3,0,0]=4 1591 B13R1.153 COCCC(=O)NCc1cnco1 527a_100020634212_100000749529 [0,1,0,0,0,0|3,0,0]=4 1592 B13R1.153 COCCC(=O)NCc1ncco1 11a_100016994969_100000749529 [0,1,0,0,0,0|3,0,0]=4 1593 B13R1.153 COCCC(=O)NCc1ncco1 1626a_100016994969_100000749529 [0,1,0,0,0,0|3,0,0]=4 1594 B13R1.153 COCCC(=O)NCc1ncco1 240690a_100016994969_100000749529 [0,1,0,0,0,0|3,0,0]=4 1595 B13R1.153 COCCC(=O)NCc1ncco1 527a_100016994969_100000749529 [0,1,0,0,0,0|3,0,0]=4 1596 B13R1.153 COCNC(C)CCc1ccco1 2230a_100000199034_100000766300 [0,1,0,0,0,0|2,0,1]=4 1597 B13R1.153 CSCCC(=O)CCc1c[nH]cn1 1458a_100000174002_100020628418 [0,1,0,0,0,0|3,0,0]=4 1598 B13R1.153 CSCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000751147 [0,1,0,0,0,0|3,0,0]=4 1599 B13R1.153 CSCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000751147 [0,1,0,0,0,0|2,0,0]=3 1600 B13R1.153 CSCCC(=O)CCc1ccco1 1458a_100000185103_100000751147 [0,1,0,0,0,0|1,0,0]=2 1601 B13R1.153 CSCCC(=O)CCc1cccs1 1458a_100000174002_100000748579 [0,1,0,0,0,0|1,1,0]=3 1602 B13R1.153 CSCCC(=O)CCc1cccs1 1458a_100000185280_100000751147 [0,1,0,0,0,0|1,1,0]=3 1603 B13R1.153 CSCCC(=O)CCc1ccsc1 1458a_100000195497_100000751147 [0,1,0,0,0,0|3,0,0]=4 1604 B13R1.153 CSCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000751147 [0,1,0,0,0,0|3,0,0]=4 1605 B13R1.153 CSCCC(=O)CCc1cncs1 1458a_100012184922_100000751147 [0,1,0,0,0,0|2,1,0]=4 1606 B13R1.153 CSCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000751147 [0,1,0,0,0,0|3,0,0]=4 1607 B13R1.153 CSCCC(=O)CCc1nccs1 1458a_100000742873_100000751147 [0,1,0,0,0,0|2,1,0]=4 1608 B13R1.153 CSCCC(=O)CCn1cccc1 1458a_100000174002_200000035178 [0,1,0,0,0,0|3,0,0]=4 1609 B13R1.153 CSCCC(=O)CCn1cccc1 1458a_100011196273_100000751147 [0,1,0,0,0,0|3,0,0]=4 1610 B13R1.153 CSCCC(=O)CCn1cccn1 1458a_100000174002_100000685285 [0,1,0,0,0,0|3,0,0]=4 1611 B13R1.153 CSCCC(=O)CCn1cccn1 1458a_100000242649_100000751147 [0,1,0,0,0,0|3,0,0]=4 1612 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000174002 [0,1,0,0,0,0|3,0,0]=4 1613 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000174002 [0,1,0,0,0,0|3,0,0]=4 1614 B13R1.153 CSCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000174002 [0,1,0,0,0,0|3,0,0]=4 1615 B13R1.153 CSCCC(=O)NCc1ccco1 11a_100000185738_100000174002 [0,1,0,0,0,0|2,0,0]=3 1616 B13R1.153 CSCCC(=O)NCc1ccco1 1626a_100000185738_100000174002 [0,1,0,0,0,0|2,0,0]=3 1617 B13R1.153 CSCCC(=O)NCc1ccco1 240690a_100000185738_100000174002 [0,1,0,0,0,0|2,0,0]=3 1618 B13R1.153 CSCCC(=O)NCc1ccco1 527a_100000185738_100000174002 [0,1,0,0,0,0|2,0,0]=3 1619 B13R1.153 CSCCC(=O)NCc1ccco1 62a_200000210301_200011194439 [0,1,0,0,0,0|2,0,0]=3 1620 B13R1.153 CSCCC(=O)NCc1ccco1 62a_200011194439_200000210301 [0,1,0,0,0,0|2,0,0]=3 1621 B13R1.153 CSCCC(=O)NCc1cccs1 11a_100000211653_100000174002 [0,1,0,0,0,0|2,1,0]=4 1622 B13R1.153 CSCCC(=O)NCc1cccs1 1626a_100000211653_100000174002 [0,1,0,0,0,0|2,1,0]=4 1623 B13R1.153 CSCCC(=O)NCc1cccs1 240690a_100000211653_100000174002 [0,1,0,0,0,0|2,1,0]=4 1624 B13R1.153 CSCCC(=O)NCc1cccs1 527a_100000211653_100000174002 [0,1,0,0,0,0|2,1,0]=4 1625 B13R1.153 CSCCC(=O)NCc1cnco1 11a_100020634212_100000174002 [0,1,0,0,0,0|3,0,0]=4 1626 B13R1.153 CSCCC(=O)NCc1cnco1 240690a_100020634212_100000174002 [0,1,0,0,0,0|3,0,0]=4 1627 B13R1.153 CSCCC(=O)NCc1cnco1 527a_100020634212_100000174002 [0,1,0,0,0,0|3,0,0]=4 1628 B13R1.153 CSCCC(=O)NCc1ncco1 11a_100016994969_100000174002 [0,1,0,0,0,0|3,0,0]=4 1629 B13R1.153 CSCCC(=O)NCc1ncco1 1626a_100016994969_100000174002 [0,1,0,0,0,0|3,0,0]=4 1630 B13R1.153 CSCCC(=O)NCc1ncco1 240690a_100016994969_100000174002 [0,1,0,0,0,0|3,0,0]=4 1631 B13R1.153 CSCCC(=O)NCc1ncco1 527a_100016994969_100000174002 [0,1,0,0,0,0|3,0,0]=4 1632 B13R1.153 CSCNC(C)CCc1ccco1 2230a_100000199034_100011218213 [0,1,0,0,0,0|2,0,1]=4 1633 B13R1.153 CSCNC(C)CCc1ccco1 34a_100000199034_100011218213 [0,1,0,0,0,0|2,0,1]=4 1634 B13R1.153 N#CCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100011215226 [0,1,0,0,0,0|2,0,1]=4 1635 B13R1.153 N#CCCC(=O)CCc1ccco1 1458a_100000185103_100011215226 [0,1,0,0,0,0|1,0,1]=3 1636 B13R1.153 N#CCCC(=O)CCc1cccs1 1458a_100000185280_100011215226 [0,1,0,0,0,0|1,1,1]=4 1637 B13R1.153 N#CCCC(=O)CCc1cccs1 1458a_100011934036_100000748579 [0,1,0,0,0,0|1,1,1]=4 1638 B13R1.153 N#CCCC(=O)NCc1ccco1 11a_100000185738_100011934036 [0,1,0,0,0,0|2,0,1]=4 1639 B13R1.153 N#CCCC(=O)NCc1ccco1 1626a_100000185738_100011934036 [0,1,0,0,0,0|2,0,1]=4 1640 B13R1.153 N#CCCC(=O)NCc1ccco1 240690a_100000185738_100011934036 [0,1,0,0,0,0|2,0,1]=4 1641 B13R1.153 N#CCCC(=O)NCc1ccco1 527a_100000185738_100011934036 [0,1,0,0,0,0|2,0,1]=4 1642 B13R1.153 N#CCNC(=O)CCc1ccc[nH]1 527a_100000734998_200011998680 [0,1,0,0,0,0|2,0,1]=4 1643 B13R1.153 N#CCNC(=O)CCc1ccco1 1626a_100000734998_100000185103 [0,1,0,0,0,0|1,0,1]=3 1644 B13R1.153 N#CCNC(=O)CCc1ccco1 527a_100000734998_100000185103 [0,1,0,0,0,0|1,0,1]=3 1645 B13R1.153 N#CCNC(=O)CCc1cccs1 1626a_100000734998_100000185280 [0,1,0,0,0,0|1,1,1]=4 1646 B13R1.153 N#CCNC(=O)CCc1cccs1 527a_100000734998_100000185280 [0,1,0,0,0,0|1,1,1]=4 1647 B13R1.153 N#CCNC(=O)CSc1ccco1 62a_100000736037_100009814098 [0,1,0,0,0,0|2,0,1]=4 1648 B13R1.153 N#CCNC(=O)CSc1ccco1 62a_100009814098_100000736037 [0,1,0,0,0,0|2,0,1]=4 1649 B13R1.153 N#CCNC(=O)NCc1ccco1 2708a_100000734998_100000185738 [0,1,0,0,0,0|2,0,1]=4 1650 B13R1.153 N#CCNC(=O)NCc1ccco1 273464a_100000185738_100000734998 [0,1,0,0,0,0|2,0,1]=4 1651 B13R1.153 N#CCNC(=O)NCc1ccco1 512a_100000185738_100000734998 [0,1,0,0,0,0|2,0,1]=4 1652 B13R1.153 N#CCNC(=O)NCc1ccco1 512a_100000734998_100000185738 [0,1,0,0,0,0|2,0,1]=4 1653 B13R1.153 O=C(C#CCO)CCc1cccs1 1458a_100000049017_100000748579 [0,1,0,0,0,0|1,1,1]=4 1654 B13R1.153 O=C(CCCF)CCc1cc[nH]c1 1458a_200000093579_100011934791 [0,1,0,0,0,0|3,0,0]=4 1655 B13R1.153 O=C(CCCF)CCc1ccc[nH]1 1458a_200011998680_100011934791 [0,1,0,0,0,0|2,0,0]=3 1656 B13R1.153 O=C(CCCF)CCc1ccco1 1458a_100000185103_100011934791 [0,1,0,0,0,0|1,0,0]=2 1657 B13R1.153 O=C(CCCF)CCc1cccs1 1458a_100000185280_100011934791 [0,1,0,0,0,0|1,1,0]=3 1658 B13R1.153 O=C(CCCF)CCc1ccsc1 1458a_100000195497_100011934791 [0,1,0,0,0,0|3,0,0]=4 1659 B13R1.153 O=C(CCCF)CCc1cnc[nH]1 1458a_100000044180_100011934791 [0,1,0,0,0,0|3,0,0]=4 1660 B13R1.153 O=C(CCCF)CCc1cncs1 1458a_100012184922_100011934791 [0,1,0,0,0,0|2,1,0]=4 1661 B13R1.153 O=C(CCCF)CCc1ncc[nH]1 1458a_100000722789_100011934791 [0,1,0,0,0,0|3,0,0]=4 1662 B13R1.153 O=C(CCCF)CCc1nccs1 1458a_100000742873_100011934791 [0,1,0,0,0,0|2,1,0]=4 1663 B13R1.153 O=C(CCCF)CCn1cccc1 1458a_100011196273_100011934791 [0,1,0,0,0,0|3,0,0]=4 1664 B13R1.153 O=C(CCCF)CCn1cccn1 1458a_100000242649_100011934791 [0,1,0,0,0,0|3,0,0]=4 1665 B13R1.153 O=C(CCCO)CCc1cc[nH]c1 1458a_200000093579_100011215043 [0,1,0,0,0,0|3,0,0]=4 1666 B13R1.153 O=C(CCCO)CCc1ccc[nH]1 1458a_200011998680_100011215043 [0,1,0,0,0,0|2,0,0]=3 1667 B13R1.153 O=C(CCCO)CCc1ccco1 1458a_100000185103_100011215043 [0,1,0,0,0,0|1,0,0]=2 1668 B13R1.153 O=C(CCCO)CCc1cccs1 1458a_100000185280_100011215043 [0,1,0,0,0,0|1,1,0]=3 1669 B13R1.153 O=C(CCCO)CCc1ccsc1 1458a_100000195497_100011215043 [0,1,0,0,0,0|3,0,0]=4 1670 B13R1.153 O=C(CCCO)CCc1cnc[nH]1 1458a_100000044180_100011215043 [0,1,0,0,0,0|3,0,0]=4 1671 B13R1.153 O=C(CCCO)CCc1cncs1 1458a_100012184922_100011215043 [0,1,0,0,0,0|2,1,0]=4 1672 B13R1.153 O=C(CCCO)CCc1ncc[nH]1 1458a_100000722789_100011215043 [0,1,0,0,0,0|3,0,0]=4 1673 B13R1.153 O=C(CCCO)CCc1nccs1 1458a_100000742873_100011215043 [0,1,0,0,0,0|2,1,0]=4 1674 B13R1.153 O=C(CCCO)CCn1cccc1 1458a_100011196273_100011215043 [0,1,0,0,0,0|3,0,0]=4 1675 B13R1.153 O=C(CCCO)CCn1cccn1 1458a_100000242649_100011215043 [0,1,0,0,0,0|3,0,0]=4 1676 B13R1.153 O=C(CCc1cc[nH]c1)NCCF 11a_100000724931_200000093579 [0,1,0,0,0,0|3,0,0]=4 1677 B13R1.153 O=C(CCc1cc[nH]c1)NCCF 240690a_100000724931_200000093579 [0,1,0,0,0,0|3,0,0]=4 1678 B13R1.153 O=C(CCc1cc[nH]c1)NCCF 527a_100000724931_200000093579 [0,1,0,0,0,0|3,0,0]=4 1679 B13R1.153 O=C(CCc1cc[nH]c1)NCCO 240690a_100000210304_200000093579 [0,1,0,0,0,0|3,0,0]=4 1680 B13R1.153 O=C(CCc1cc[nH]c1)NCCO 527a_100000210304_200000093579 [0,1,0,0,0,0|3,0,0]=4 1681 B13R1.153 O=C(CCc1ccc[nH]1)NCCF 11a_100000724931_200011998680 [0,1,0,0,0,0|2,0,0]=3 1682 B13R1.153 O=C(CCc1ccc[nH]1)NCCF 240690a_100000724931_200011998680 [0,1,0,0,0,0|2,0,0]=3 1683 B13R1.153 O=C(CCc1ccc[nH]1)NCCF 527a_100000724931_200011998680 [0,1,0,0,0,0|2,0,0]=3 1684 B13R1.153 O=C(CCc1ccc[nH]1)NCCO 240690a_100000210304_200011998680 [0,1,0,0,0,0|2,0,0]=3 1685 B13R1.153 O=C(CCc1ccc[nH]1)NCCO 527a_100000210304_200011998680 [0,1,0,0,0,0|2,0,0]=3 1686 B13R1.153 O=C(CCc1ccco1)NCCF 11a_100000724931_100000185103 [0,1,0,0,0,0|1,0,0]=2 1687 B13R1.153 O=C(CCc1ccco1)NCCF 1626a_100000724931_100000185103 [0,1,0,0,0,0|1,0,0]=2 1688 B13R1.153 O=C(CCc1ccco1)NCCF 527a_100000724931_100000185103 [0,1,0,0,0,0|1,0,0]=2 1689 B13R1.153 O=C(CCc1ccco1)NCCO 527a_100000210304_100000185103 [0,1,0,0,0,0|1,0,0]=2 1690 B13R1.153 O=C(CCc1cccs1)NCCF 11a_100000724931_100000185280 [0,1,0,0,0,0|1,1,0]=3 1691 B13R1.153 O=C(CCc1cccs1)NCCF 1626a_100000724931_100000185280 [0,1,0,0,0,0|1,1,0]=3 1692 B13R1.153 O=C(CCc1cccs1)NCCF 240690a_100000724931_100000185280 [0,1,0,0,0,0|1,1,0]=3 1693 B13R1.153 O=C(CCc1cccs1)NCCF 527a_100000724931_100000185280 [0,1,0,0,0,0|1,1,0]=3 1694 B13R1.153 O=C(CCc1cccs1)NCCO 240690a_100000210304_100000185280 [0,1,0,0,0,0|1,1,0]=3 1695 B13R1.153 O=C(CCc1cccs1)NCCO 527a_100000210304_100000185280 [0,1,0,0,0,0|1,1,0]=3 1696 B13R1.153 O=C(CCc1ccsc1)NCCF 11a_100000724931_100000195497 [0,1,0,0,0,0|3,0,0]=4 1697 B13R1.153 O=C(CCc1ccsc1)NCCF 1626a_100000724931_100000195497 [0,1,0,0,0,0|3,0,0]=4 1698 B13R1.153 O=C(CCc1ccsc1)NCCF 240690a_100000724931_100000195497 [0,1,0,0,0,0|3,0,0]=4 1699 B13R1.153 O=C(CCc1ccsc1)NCCF 527a_100000724931_100000195497 [0,1,0,0,0,0|3,0,0]=4 1700 B13R1.153 O=C(CCc1ccsc1)NCCO 240690a_100000210304_100000195497 [0,1,0,0,0,0|3,0,0]=4 1701 B13R1.153 O=C(CCc1ccsc1)NCCO 527a_100000210304_100000195497 [0,1,0,0,0,0|3,0,0]=4 1702 B13R1.153 O=C(CCc1cnc[nH]1)NCCF 240690a_100000724931_100000044180 [0,1,0,0,0,0|3,0,0]=4 1703 B13R1.153 O=C(CCc1cnc[nH]1)NCCF 527a_100000724931_100000044180 [0,1,0,0,0,0|3,0,0]=4 1704 B13R1.153 O=C(CCc1cnc[nH]1)NCCO 240690a_100000210304_100000044180 [0,1,0,0,0,0|3,0,0]=4 1705 B13R1.153 O=C(CCc1cnc[nH]1)NCCO 527a_100000210304_100000044180 [0,1,0,0,0,0|3,0,0]=4 1706 B13R1.153 O=C(CCc1cncs1)NCCF 11a_100000724931_100012184922 [0,1,0,0,0,0|2,1,0]=4 1707 B13R1.153 O=C(CCc1cncs1)NCCF 1626a_100000724931_100012184922 [0,1,0,0,0,0|2,1,0]=4 1708 B13R1.153 O=C(CCc1cncs1)NCCF 240690a_100000724931_100012184922 [0,1,0,0,0,0|2,1,0]=4 1709 B13R1.153 O=C(CCc1cncs1)NCCF 527a_100000724931_100012184922 [0,1,0,0,0,0|2,1,0]=4 1710 B13R1.153 O=C(CCc1cncs1)NCCO 240690a_100000210304_100012184922 [0,1,0,0,0,0|2,1,0]=4 1711 B13R1.153 O=C(CCc1cncs1)NCCO 527a_100000210304_100012184922 [0,1,0,0,0,0|2,1,0]=4 1712 B13R1.153 O=C(CCc1ncc[nH]1)NCCF 240690a_100000724931_100000722789 [0,1,0,0,0,0|3,0,0]=4 1713 B13R1.153 O=C(CCc1ncc[nH]1)NCCF 527a_100000724931_100000722789 [0,1,0,0,0,0|3,0,0]=4 1714 B13R1.153 O=C(CCc1ncc[nH]1)NCCO 240690a_100000210304_100000722789 [0,1,0,0,0,0|3,0,0]=4 1715 B13R1.153 O=C(CCc1ncc[nH]1)NCCO 527a_100000210304_100000722789 [0,1,0,0,0,0|3,0,0]=4 1716 B13R1.153 O=C(CCc1nccs1)NCCF 11a_100000724931_100000742873 [0,1,0,0,0,0|2,1,0]=4 1717 B13R1.153 O=C(CCc1nccs1)NCCF 1626a_100000724931_100000742873 [0,1,0,0,0,0|2,1,0]=4 1718 B13R1.153 O=C(CCc1nccs1)NCCF 240690a_100000724931_100000742873 [0,1,0,0,0,0|2,1,0]=4 1719 B13R1.153 O=C(CCc1nccs1)NCCF 527a_100000724931_100000742873 [0,1,0,0,0,0|2,1,0]=4 1720 B13R1.153 O=C(CCc1nccs1)NCCO 240690a_100000210304_100000742873 [0,1,0,0,0,0|2,1,0]=4 1721 B13R1.153 O=C(CCc1nccs1)NCCO 527a_100000210304_100000742873 [0,1,0,0,0,0|2,1,0]=4 1722 B13R1.153 O=C(CCn1cccc1)NCCF 11a_100000724931_100011196273 [0,1,0,0,0,0|3,0,0]=4 1723 B13R1.153 O=C(CCn1cccc1)NCCF 1626a_100000724931_100011196273 [0,1,0,0,0,0|3,0,0]=4 1724 B13R1.153 O=C(CCn1cccc1)NCCF 527a_100000724931_100011196273 [0,1,0,0,0,0|3,0,0]=4 1725 B13R1.153 O=C(CCn1cccc1)NCCO 527a_100000210304_100011196273 [0,1,0,0,0,0|3,0,0]=4 1726 B13R1.153 O=C(CCn1cccn1)NCCF 11a_100000724931_100000242649 [0,1,0,0,0,0|3,0,0]=4 1727 B13R1.153 O=C(CCn1cccn1)NCCF 1626a_100000724931_100000242649 [0,1,0,0,0,0|3,0,0]=4 1728 B13R1.153 O=C(CCn1cccn1)NCCF 240690a_100000724931_100000242649 [0,1,0,0,0,0|3,0,0]=4 1729 B13R1.153 O=C(CCn1cccn1)NCCF 527a_100000724931_100000242649 [0,1,0,0,0,0|3,0,0]=4 1730 B13R1.153 O=C(CCn1cccn1)NCCO 240690a_100000210304_100000242649 [0,1,0,0,0,0|3,0,0]=4 1731 B13R1.153 O=C(CCn1cccn1)NCCO 527a_100000210304_100000242649 [0,1,0,0,0,0|3,0,0]=4 1732 B13R1.153 O=C(CSCF)NCc1ccco1 62a_100000183421_100015361967 [0,1,0,0,0,0|2,1,0]=4 1733 B13R1.153 O=C(CSCF)NCc1ccco1 62a_100015361967_100000183421 [0,1,0,0,0,0|2,1,0]=4 1734 B13R1.153 O=C(NCCF)NCc1ccc[nH]1 273464a_100000724931_100000764082 [0,1,0,0,0,0|3,0,0]=4 1735 B13R1.153 O=C(NCCF)NCc1ccc[nH]1 273464a_100000764082_100000724931 [0,1,0,0,0,0|3,0,0]=4 1736 B13R1.153 O=C(NCCF)NCc1ccco1 2708a_100000185738_100000724931 [0,1,0,0,0,0|2,0,0]=3 1737 B13R1.153 O=C(NCCF)NCc1ccco1 273464a_100000185738_100000724931 [0,1,0,0,0,0|2,0,0]=3 1738 B13R1.153 O=C(NCCF)NCc1ccco1 512a_100000185738_100000724931 [0,1,0,0,0,0|2,0,0]=3 1739 B13R1.153 O=C(NCCF)NCc1cccs1 2708a_100000211653_100000724931 [0,1,0,0,0,0|2,1,0]=4 1740 B13R1.153 O=C(NCCF)NCc1cccs1 273464a_100000211653_100000724931 [0,1,0,0,0,0|2,1,0]=4 1741 B13R1.153 O=C(NCCF)NCc1cccs1 273464a_100000724931_100000211653 [0,1,0,0,0,0|2,1,0]=4 1742 B13R1.153 O=C(NCCF)NCc1cccs1 512a_100000211653_100000724931 [0,1,0,0,0,0|2,1,0]=4 1743 B13R1.153 O=C(NCCF)NCc1cnco1 2708a_100020634212_100000724931 [0,1,0,0,0,0|3,0,0]=4 1744 B13R1.153 O=C(NCCF)NCc1cnco1 273464a_100000724931_100020634212 [0,1,0,0,0,0|3,0,0]=4 1745 B13R1.153 O=C(NCCF)NCc1cnco1 273464a_100020634212_100000724931 [0,1,0,0,0,0|3,0,0]=4 1746 B13R1.153 O=C(NCCF)NCc1cnco1 512a_100020634212_100000724931 [0,1,0,0,0,0|3,0,0]=4 1747 B13R1.153 O=C(NCCF)NCc1ncco1 2708a_100016994969_100000724931 [0,1,0,0,0,0|3,0,0]=4 1748 B13R1.153 O=C(NCCF)NCc1ncco1 273464a_100000724931_100016994969 [0,1,0,0,0,0|3,0,0]=4 1749 B13R1.153 O=C(NCCF)NCc1ncco1 273464a_100016994969_100000724931 [0,1,0,0,0,0|3,0,0]=4 1750 B13R1.153 O=C(NCCF)NCc1ncco1 512a_100016994969_100000724931 [0,1,0,0,0,0|3,0,0]=4 1751 B13R1.153 O=C(NCCO)NCc1ccc[nH]1 273464a_100000210304_100000764082 [0,1,0,0,0,0|3,0,0]=4 1752 B13R1.153 O=C(NCCO)NCc1ccc[nH]1 273464a_100000764082_100000210304 [0,1,0,0,0,0|3,0,0]=4 1753 B13R1.153 O=C(NCCO)NCc1ccco1 2708a_100000185738_100000210304 [0,1,0,0,0,0|2,0,0]=3 1754 B13R1.153 O=C(NCCO)NCc1ccco1 273464a_100000185738_100000210304 [0,1,0,0,0,0|2,0,0]=3 1755 B13R1.153 O=C(NCCO)NCc1ccco1 512a_100000185738_100000210304 [0,1,0,0,0,0|2,0,0]=3 1756 B13R1.153 O=C(NCCO)NCc1cccs1 2708a_100000211653_100000210304 [0,1,0,0,0,0|2,1,0]=4 1757 B13R1.153 O=C(NCCO)NCc1cccs1 273464a_100000210304_100000211653 [0,1,0,0,0,0|2,1,0]=4 1758 B13R1.153 O=C(NCCO)NCc1cccs1 273464a_100000211653_100000210304 [0,1,0,0,0,0|2,1,0]=4 1759 B13R1.153 O=C(NCCO)NCc1cccs1 512a_100000211653_100000210304 [0,1,0,0,0,0|2,1,0]=4 1760 B13R1.153 O=C(NCCO)NCc1cnco1 2708a_100020634212_100000210304 [0,1,0,0,0,0|3,0,0]=4 1761 B13R1.153 O=C(NCCO)NCc1cnco1 273464a_100000210304_100020634212 [0,1,0,0,0,0|3,0,0]=4 1762 B13R1.153 O=C(NCCO)NCc1cnco1 273464a_100020634212_100000210304 [0,1,0,0,0,0|3,0,0]=4 1763 B13R1.153 O=C(NCCO)NCc1cnco1 512a_100020634212_100000210304 [0,1,0,0,0,0|3,0,0]=4 1764 B13R1.153 O=C(NCCO)NCc1ncco1 2708a_100016994969_100000210304 [0,1,0,0,0,0|3,0,0]=4 1765 B13R1.153 O=C(NCCO)NCc1ncco1 273464a_100000210304_100016994969 [0,1,0,0,0,0|3,0,0]=4 1766 B13R1.153 O=C(NCCO)NCc1ncco1 273464a_100016994969_100000210304 [0,1,0,0,0,0|3,0,0]=4 1767 B13R1.153 O=C(NCCO)NCc1ncco1 512a_100016994969_100000210304 [0,1,0,0,0,0|3,0,0]=4 1768 B13R1.153 [13CH3]SCCC(=O)NCc1ccco1 62a_200011194439_200025704644 [0,1,0,0,0,0|2,0,0]=3 1769 B13R1.153 [13CH3]SCCC(=O)NCc1ccco1 62a_200025704644_200011194439 [0,1,0,0,0,0|2,0,0]=3 1770 B13R1.444 CCCC(=O)CCc1ccnn1C 1458a_100000763893_100000210303 [0,1,0,0,0,0|3,0,0]=4 1771 B13R1.444 CCCC(=O)CCc1nccn1C 1458a_200011261795_100000210303 [0,1,0,0,0,0|3,0,0]=4 1772 B13R1.444 CCCC(=O)CCc1scnc1C 1458a_100000211992_100000057103 [0,1,0,0,0,0|2,1,0]=4 1773 B13R1.444 CCCC(=O)CCc1scnc1C 1458a_100011934404_100000210303 [0,1,0,0,0,0|2,1,0]=4 1774 B13R1.444 CCCC(=O)CCn1nccc1C 1458a_100000211992_100011934269 [0,1,0,0,0,0|3,0,0]=4 1775 B13R1.444 CCCC(=O)CCn1nccc1C 1458a_200000759149_100000210303 [0,1,0,0,0,0|3,0,0]=4 1776 B13R1.444 CCCC(=O)CSc1sccc1Br 62a_100000747444_100012361411 [0,1,0,0,0,0|2,1,0]=4 1777 B13R1.444 CCCC(=O)CSc1sccc1Br 62a_100012361411_100000747444 [0,1,0,0,0,0|2,1,0]=4 1778 B13R1.444 CCCC(=O)CSc1sccc1C 62a_100000747444_100010247149 [0,1,0,0,0,0|2,1,0]=4 1779 B13R1.444 CCCC(=O)CSc1sccc1C 62a_100010247149_100000747444 [0,1,0,0,0,0|2,1,0]=4 1780 B13R1.444 CCCC(=O)NCc1cccn1C 11a_100011219357_100000211992 [0,1,0,0,0,0|3,0,0]=4 1781 B13R1.444 CCCC(=O)NCc1cccn1C 1626a_100011219357_100000211992 [0,1,0,0,0,0|3,0,0]=4 1782 B13R1.444 CCCC(=O)NCc1cccn1C 240690a_100011219357_100000211992 [0,1,0,0,0,0|3,0,0]=4 1783 B13R1.444 CCCC(=O)NCc1cccn1C 527a_100011219357_100000211992 [0,1,0,0,0,0|3,0,0]=4 1784 B13R1.444 CCCC(=O)NCc1sccc1C 11a_100000238519_100000211992 [0,1,0,0,0,0|2,1,0]=4 1785 B13R1.444 CCCC(=O)NCc1sccc1C 1626a_100000238519_100000211992 [0,1,0,0,0,0|2,1,0]=4 1786 B13R1.444 CCCC(=O)NCc1sccc1C 240690a_100000238519_100000211992 [0,1,0,0,0,0|2,1,0]=4 1787 B13R1.444 CCCC(=O)NCc1sccc1C 527a_100000238519_100000211992 [0,1,0,0,0,0|2,1,0]=4 1788 B13R1.444 CCCC(=O)NCc1sccc1Cl 11a_100011934584_100000211992 [0,1,0,0,0,0|2,1,0]=4 1789 B13R1.444 CCCC(=O)NCc1sccc1Cl 1626a_100011934584_100000211992 [0,1,0,0,0,0|2,1,0]=4 1790 B13R1.444 CCCC(=O)NCc1sccc1Cl 240690a_100011934584_100000211992 [0,1,0,0,0,0|2,1,0]=4 1791 B13R1.444 CCCC(=O)NCc1sccc1Cl 527a_100011934584_100000211992 [0,1,0,0,0,0|2,1,0]=4 1792 B13R1.444 CCNC(=O)CCc1ccnn1C 11a_100015525214_100000763893 [0,1,0,0,0,0|3,0,0]=4 1793 B13R1.444 CCNC(=O)CCc1ccnn1C 240690a_100015525214_100000763893 [0,1,0,0,0,0|3,0,0]=4 1794 B13R1.444 CCNC(=O)CCc1ccnn1C 527a_100015525214_100000763893 [0,1,0,0,0,0|3,0,0]=4 1795 B13R1.444 CCNC(=O)CCc1nccn1C 240690a_100015525214_200011261795 [0,1,0,0,0,0|3,0,0]=4 1796 B13R1.444 CCNC(=O)CCc1nccn1C 527a_100015525214_200011261795 [0,1,0,0,0,0|3,0,0]=4 1797 B13R1.444 CCNC(=O)CCc1scnc1C 11a_100015525214_100011934404 [0,1,0,0,0,0|2,1,0]=4 1798 B13R1.444 CCNC(=O)CCc1scnc1C 240690a_100015525214_100011934404 [0,1,0,0,0,0|2,1,0]=4 1799 B13R1.444 CCNC(=O)CCc1scnc1C 527a_100015525214_100011934404 [0,1,0,0,0,0|2,1,0]=4 1800 B13R1.444 CCNC(=O)CCn1nccc1C 11a_100015525214_200000759149 [0,1,0,0,0,0|3,0,0]=4 1801 B13R1.444 CCNC(=O)CCn1nccc1C 240690a_100015525214_200000759149 [0,1,0,0,0,0|3,0,0]=4 1802 B13R1.444 CCNC(=O)CCn1nccc1C 527a_100015525214_200000759149 [0,1,0,0,0,0|3,0,0]=4 1803 B13R1.444 CCNC(=O)CSc1sccc1Br 62a_100000183381_100012361411 [0,1,0,0,0,0|2,1,0]=4 1804 B13R1.444 CCNC(=O)CSc1sccc1Br 62a_100012361411_100000183381 [0,1,0,0,0,0|2,1,0]=4 1805 B13R1.444 CCNC(=O)CSc1sccc1C 62a_100000183381_100010247149 [0,1,0,0,0,0|2,1,0]=4 1806 B13R1.444 CCNC(=O)CSc1sccc1C 62a_100010247149_100000183381 [0,1,0,0,0,0|2,1,0]=4 1807 B13R1.444 CCNC(=O)NCc1cccn1C 2708a_100011219357_100015525214 [0,1,0,0,0,0|3,0,0]=4 1808 B13R1.444 CCNC(=O)NCc1cccn1C 2708a_100015525214_100011219357 [0,1,0,0,0,0|3,0,0]=4 1809 B13R1.444 CCNC(=O)NCc1cccn1C 273464a_100011219357_100015525214 [0,1,0,0,0,0|3,0,0]=4 1810 B13R1.444 CCNC(=O)NCc1cccn1C 273464a_100015525214_100011219357 [0,1,0,0,0,0|3,0,0]=4 1811 B13R1.444 CCNC(=O)NCc1cccn1C 512a_100011219357_100015525214 [0,1,0,0,0,0|3,0,0]=4 1812 B13R1.444 CCNC(=O)NCc1cccn1C 512a_100015525214_100011219357 [0,1,0,0,0,0|3,0,0]=4 1813 B13R1.444 CCNC(=O)NCc1sccc1C 2708a_100000238519_100015525214 [0,1,0,0,0,0|2,1,0]=4 1814 B13R1.444 CCNC(=O)NCc1sccc1C 2708a_100015525214_100000238519 [0,1,0,0,0,0|2,1,0]=4 1815 B13R1.444 CCNC(=O)NCc1sccc1C 273464a_100000238519_100015525214 [0,1,0,0,0,0|2,1,0]=4 1816 B13R1.444 CCNC(=O)NCc1sccc1C 273464a_100015525214_100000238519 [0,1,0,0,0,0|2,1,0]=4 1817 B13R1.444 CCNC(=O)NCc1sccc1C 512a_100000238519_100015525214 [0,1,0,0,0,0|2,1,0]=4 1818 B13R1.444 CCNC(=O)NCc1sccc1C 512a_100015525214_100000238519 [0,1,0,0,0,0|2,1,0]=4 1819 B13R1.444 CCNC(=O)NCc1sccc1Cl 2708a_100011934584_100015525214 [0,1,0,0,0,0|2,1,0]=4 1820 B13R1.444 CCNC(=O)NCc1sccc1Cl 2708a_100015525214_100011934584 [0,1,0,0,0,0|2,1,0]=4 1821 B13R1.444 CCNC(=O)NCc1sccc1Cl 273464a_100011934584_100015525214 [0,1,0,0,0,0|2,1,0]=4 1822 B13R1.444 CCNC(=O)NCc1sccc1Cl 273464a_100015525214_100011934584 [0,1,0,0,0,0|2,1,0]=4 1823 B13R1.444 CCNC(=O)NCc1sccc1Cl 512a_100011934584_100015525214 [0,1,0,0,0,0|2,1,0]=4 1824 B13R1.444 CCNC(=O)NCc1sccc1Cl 512a_100015525214_100011934584 [0,1,0,0,0,0|2,1,0]=4 1825 B13R1.444 CCOC(=O)C=Cc1sccc1Br 271570a_100010199719_100012361411 [0,1,0,0,0,0|0,1,2]=4 1826 B13R1.444 CCOC(=O)C=Cc1sccc1C 271570a_100010199719_100000742657 [0,1,0,0,0,0|0,1,2]=4 1827 B13R1.444 CCOC(=O)COc1ccnn1C 34a_100020632926_100000188475 [0,1,0,0,0,0|3,0,0]=4 1828 B13R1.444 CCOC(=O)CSc1[nH]cnc1Cl 62a_100000188475_100010200774 [0,1,0,0,0,0|3,0,0]=4 1829 B13R1.444 CCOC(=O)CSc1[nH]cnc1Cl 62a_100010200774_100000188475 [0,1,0,0,0,0|3,0,0]=4 1830 B13R1.444 CCOC(=O)CSc1ccnn1C 62a_100000188475_100000688441 [0,1,0,0,0,0|3,0,0]=4 1831 B13R1.444 CCOC(=O)CSc1ccnn1C 62a_100000688441_100000188475 [0,1,0,0,0,0|3,0,0]=4 1832 B13R1.444 CCOC(=O)CSc1ccsc1C 62a_100000188475_100000684487 [0,1,0,0,0,0|3,0,0]=4 1833 B13R1.444 CCOC(=O)CSc1ccsc1C 62a_100000684487_100000188475 [0,1,0,0,0,0|3,0,0]=4 1834 B13R1.444 CCOC(=O)CSc1cncn1C 62a_100000188475_100009814087 [0,1,0,0,0,0|3,0,0]=4 1835 B13R1.444 CCOC(=O)CSc1cncn1C 62a_100009814087_100000188475 [0,1,0,0,0,0|3,0,0]=4 1836 B13R1.444 CCOC(=O)CSc1cscc1Br 62a_100000188475_100010143727 [0,1,0,0,0,0|3,0,0]=4 1837 B13R1.444 CCOC(=O)CSc1cscc1Br 62a_100010143727_100000188475 [0,1,0,0,0,0|3,0,0]=4 1838 B13R1.444 CCOC(=O)CSc1cscc1C 62a_100000188475_100000759966 [0,1,0,0,0,0|3,0,0]=4 1839 B13R1.444 CCOC(=O)CSc1cscc1C 62a_100000759966_100000188475 [0,1,0,0,0,0|3,0,0]=4 1840 B13R1.444 CCOC(=O)CSc1n[nH]cc1Br 62a_100000188475_100015839836 [0,1,0,0,0,0|3,0,0]=4 1841 B13R1.444 CCOC(=O)CSc1n[nH]cc1Br 62a_100015839836_100000188475 [0,1,0,0,0,0|3,0,0]=4 1842 B13R1.444 CCOC(=O)CSc1n[nH]cc1C 62a_100000188475_100009871783 [0,1,0,0,0,0|3,0,0]=4 1843 B13R1.444 CCOC(=O)CSc1n[nH]cc1C 62a_100009871783_100000188475 [0,1,0,0,0,0|3,0,0]=4 1844 B13R1.444 CCOC(=O)CSc1n[nH]cc1N 62a_100000188475_100010894806 [0,1,0,0,0,0|3,0,0]=4 1845 B13R1.444 CCOC(=O)CSc1n[nH]cc1N 62a_100010894806_100000188475 [0,1,0,0,0,0|3,0,0]=4 1846 B13R1.444 CCOC(=O)CSc1nc[nH]c1C 62a_100000188475_100010186451 [0,1,0,0,0,0|3,0,0]=4 1847 B13R1.444 CCOC(=O)CSc1nc[nH]c1C 62a_100010186451_100000188475 [0,1,0,0,0,0|3,0,0]=4 1848 B13R1.444 CCOC(=O)CSc1nccn1C 62a_100000188475_100000707724 [0,1,0,0,0,0|3,0,0]=4 1849 B13R1.444 CCOC(=O)CSc1nccn1C 62a_100000707724_100000188475 [0,1,0,0,0,0|3,0,0]=4 1850 B13R1.444 CCOC(=O)CSc1ncsc1C 62a_100000188475_100000732656 [0,1,0,0,0,0|3,0,0]=4 1851 B13R1.444 CCOC(=O)CSc1ncsc1C 62a_100000732656_100000188475 [0,1,0,0,0,0|3,0,0]=4 1852 B13R1.444 CCOC(=O)CSc1sccc1Br 62a_100000188475_100012361411 [0,1,0,0,0,0|1,1,0]=3 1853 B13R1.444 CCOC(=O)CSc1sccc1Br 62a_100012361411_100000188475 [0,1,0,0,0,0|1,1,0]=3 1854 B13R1.444 CCOC(=O)CSc1sccc1C 62a_100000188475_100010247149 [0,1,0,0,0,0|1,1,0]=3 1855 B13R1.444 CCOC(=O)CSc1sccc1C 62a_100010247149_100000188475 [0,1,0,0,0,0|1,1,0]=3 1856 B13R1.444 CCOC(=O)CSc1scnc1C 62a_100000188475_100009817116 [0,1,0,0,0,0|2,1,0]=4 1857 B13R1.444 CCOC(=O)CSc1scnc1C 62a_100009817116_100000188475 [0,1,0,0,0,0|2,1,0]=4 1858 B13R1.554 C#CC(C)C(=O)CCc1ccco1 1458a_100000185103_200000035995 [0,1,0,0,0,0|1,0,2]=4 1859 B13R1.554 C/C=C(\C)/C(=O)CCc1cccs1 1458a_100020587367_100000748579 [0,1,0,0,0,0|1,1,1]=4 1860 B13R1.554 C/C=C(\C)/C(=O)NCc1ccco1 11a_100000185738_100020587367 [0,1,0,0,0,0|2,0,1]=4 1861 B13R1.554 C/C=C(\C)/C(=O)NCc1ccco1 1626a_100000185738_100020587367 [0,1,0,0,0,0|2,0,1]=4 1862 B13R1.554 CC(C#N)C(=O)CCc1ccco1 1458a_100000185103_100000703298 [0,1,0,0,0,0|2,0,1]=4 1863 B13R1.554 CC(S[13CH3])C(=O)NCc1ccco1 62a_100000183933_200025704644 [0,1,0,0,0,0|3,0,0]=4 1864 B13R1.554 CC(S[13CH3])C(=O)NCc1ccco1 62a_200025704644_100000183933 [0,1,0,0,0,0|3,0,0]=4 1865 B13R1.554 CCC(C)C(=O)CCc1c[nH]cn1 1458a_100011192722_100020628418 [0,1,0,0,0,0|3,0,0]=4 1866 B13R1.554 CCC(C)C(=O)CCc1cc[nH]c1 1458a_200000093579_100000758301 [0,1,0,0,0,0|3,0,0]=4 1867 B13R1.554 CCC(C)C(=O)CCc1ccc[nH]1 1458a_200011998680_100000758301 [0,1,0,0,0,0|2,0,0]=3 1868 B13R1.554 CCC(C)C(=O)CCc1ccco1 1458a_100000185103_100000758301 [0,1,0,0,0,0|1,0,0]=2 1869 B13R1.554 CCC(C)C(=O)CCc1cccs1 1458a_100000185280_100000758301 [0,1,0,0,0,0|1,1,0]=3 1870 B13R1.554 CCC(C)C(=O)CCc1cccs1 1458a_100011192722_100000748579 [0,1,0,0,0,0|1,1,0]=3 1871 B13R1.554 CCC(C)C(=O)CCc1ccsc1 1458a_100000195497_100000758301 [0,1,0,0,0,0|3,0,0]=4 1872 B13R1.554 CCC(C)C(=O)CCc1cnc[nH]1 1458a_100000044180_100000758301 [0,1,0,0,0,0|3,0,0]=4 1873 B13R1.554 CCC(C)C(=O)CCc1cncs1 1458a_100012184922_100000758301 [0,1,0,0,0,0|2,1,0]=4 1874 B13R1.554 CCC(C)C(=O)CCc1ncc[nH]1 1458a_100000722789_100000758301 [0,1,0,0,0,0|3,0,0]=4 1875 B13R1.554 CCC(C)C(=O)CCc1nccs1 1458a_100000742873_100000758301 [0,1,0,0,0,0|2,1,0]=4 1876 B13R1.554 CCC(C)C(=O)CCn1cccc1 1458a_100011192722_200000035178 [0,1,0,0,0,0|3,0,0]=4 1877 B13R1.554 CCC(C)C(=O)CCn1cccc1 1458a_100011196273_100000758301 [0,1,0,0,0,0|3,0,0]=4 1878 B13R1.554 CCC(C)C(=O)CCn1cccn1 1458a_100000242649_100000758301 [0,1,0,0,0,0|3,0,0]=4 1879 B13R1.554 CCC(C)C(=O)CCn1cccn1 1458a_100011192722_100000685285 [0,1,0,0,0,0|3,0,0]=4 1880 B13R1.554 CCC(C)C(=O)NCc1ccc[nH]1 11a_100000764082_100011192722 [0,1,0,0,0,0|3,0,0]=4 1881 B13R1.554 CCC(C)C(=O)NCc1ccc[nH]1 240690a_100000764082_100011192722 [0,1,0,0,0,0|3,0,0]=4 1882 B13R1.554 CCC(C)C(=O)NCc1ccc[nH]1 527a_100000764082_100011192722 [0,1,0,0,0,0|3,0,0]=4 1883 B13R1.554 CCC(C)C(=O)NCc1ccco1 11a_100000185738_100011192722 [0,1,0,0,0,0|2,0,0]=3 1884 B13R1.554 CCC(C)C(=O)NCc1ccco1 1626a_100000185738_100011192722 [0,1,0,0,0,0|2,0,0]=3 1885 B13R1.554 CCC(C)C(=O)NCc1ccco1 240690a_100000185738_100011192722 [0,1,0,0,0,0|2,0,0]=3 1886 B13R1.554 CCC(C)C(=O)NCc1ccco1 527a_100000185738_100011192722 [0,1,0,0,0,0|2,0,0]=3 1887 B13R1.554 CCC(C)C(=O)NCc1cccs1 11a_100000211653_100011192722 [0,1,0,0,0,0|2,1,0]=4 1888 B13R1.554 CCC(C)C(=O)NCc1cccs1 1626a_100000211653_100011192722 [0,1,0,0,0,0|2,1,0]=4 1889 B13R1.554 CCC(C)C(=O)NCc1cccs1 240690a_100000211653_100011192722 [0,1,0,0,0,0|2,1,0]=4 1890 B13R1.554 CCC(C)C(=O)NCc1cccs1 527a_100000211653_100011192722 [0,1,0,0,0,0|2,1,0]=4 1891 B13R1.554 CCC(C)C(=O)NCc1cnco1 11a_100020634212_100011192722 [0,1,0,0,0,0|3,0,0]=4 1892 B13R1.554 CCC(C)C(=O)NCc1cnco1 240690a_100020634212_100011192722 [0,1,0,0,0,0|3,0,0]=4 1893 B13R1.554 CCC(C)C(=O)NCc1cnco1 527a_100020634212_100011192722 [0,1,0,0,0,0|3,0,0]=4 1894 B13R1.554 CCC(C)C(=O)NCc1ncco1 11a_100016994969_100011192722 [0,1,0,0,0,0|3,0,0]=4 1895 B13R1.554 CCC(C)C(=O)NCc1ncco1 1626a_100016994969_100011192722 [0,1,0,0,0,0|3,0,0]=4 1896 B13R1.554 CCC(C)C(=O)NCc1ncco1 240690a_100016994969_100011192722 [0,1,0,0,0,0|3,0,0]=4 1897 B13R1.554 CCC(C)C(=O)NCc1ncco1 527a_100016994969_100011192722 [0,1,0,0,0,0|3,0,0]=4 1898 B13R1.554 CCC(O)C(=O)CCc1c[nH]cn1 1458a_100011196387_100020628418 [0,1,0,0,0,0|3,0,0]=4 1899 B13R1.554 CCC(O)C(=O)CCc1cccs1 1458a_100011196387_100000748579 [0,1,0,0,0,0|1,1,0]=3 1900 B13R1.554 CCC(O)C(=O)CCn1cccc1 1458a_100011196387_200000035178 [0,1,0,0,0,0|3,0,0]=4 1901 B13R1.554 CCC(O)C(=O)CCn1cccn1 1458a_100011196387_100000685285 [0,1,0,0,0,0|3,0,0]=4 1902 B13R1.554 CCC(O)C(=O)NCc1ccc[nH]1 240690a_100000764082_100011196387 [0,1,0,0,0,0|3,0,0]=4 1903 B13R1.554 CCC(O)C(=O)NCc1ccco1 240690a_100000185738_100011196387 [0,1,0,0,0,0|2,0,0]=3 1904 B13R1.554 CCC(O)C(=O)NCc1cccs1 240690a_100000211653_100011196387 [0,1,0,0,0,0|2,1,0]=4 1905 B13R1.554 CCC(O)C(=O)NCc1cnco1 240690a_100020634212_100011196387 [0,1,0,0,0,0|3,0,0]=4 1906 B13R1.554 CCC(O)C(=O)NCc1ncco1 240690a_100016994969_100011196387 [0,1,0,0,0,0|3,0,0]=4 1907 B13R1.554 CCN(C)C(=O)CCc1cc[nH]c1 11a_100000225621_200000093579 [0,1,0,0,0,0|3,0,0]=4 1908 B13R1.554 CCN(C)C(=O)CCc1cc[nH]c1 240690a_100000225621_200000093579 [0,1,0,0,0,0|3,0,0]=4 1909 B13R1.554 CCN(C)C(=O)CCc1cc[nH]c1 527a_100000225621_200000093579 [0,1,0,0,0,0|3,0,0]=4 1910 B13R1.554 CCN(C)C(=O)CCc1ccc[nH]1 11a_100000225621_200011998680 [0,1,0,0,0,0|2,0,0]=3 1911 B13R1.554 CCN(C)C(=O)CCc1ccc[nH]1 240690a_100000225621_200011998680 [0,1,0,0,0,0|2,0,0]=3 1912 B13R1.554 CCN(C)C(=O)CCc1ccc[nH]1 527a_100000225621_200011998680 [0,1,0,0,0,0|2,0,0]=3 1913 B13R1.554 CCN(C)C(=O)CCc1ccco1 11a_100000225621_100000185103 [0,1,0,0,0,0|1,0,0]=2 1914 B13R1.554 CCN(C)C(=O)CCc1ccco1 1626a_100000225621_100000185103 [0,1,0,0,0,0|1,0,0]=2 1915 B13R1.554 CCN(C)C(=O)CCc1ccco1 527a_100000225621_100000185103 [0,1,0,0,0,0|1,0,0]=2 1916 B13R1.554 CCN(C)C(=O)CCc1cccs1 11a_100000225621_100000185280 [0,1,0,0,0,0|1,1,0]=3 1917 B13R1.554 CCN(C)C(=O)CCc1cccs1 1626a_100000225621_100000185280 [0,1,0,0,0,0|1,1,0]=3 1918 B13R1.554 CCN(C)C(=O)CCc1cccs1 240690a_100000225621_100000185280 [0,1,0,0,0,0|1,1,0]=3 1919 B13R1.554 CCN(C)C(=O)CCc1cccs1 527a_100000225621_100000185280 [0,1,0,0,0,0|1,1,0]=3 1920 B13R1.554 CCN(C)C(=O)CCc1ccsc1 11a_100000225621_100000195497 [0,1,0,0,0,0|3,0,0]=4 1921 B13R1.554 CCN(C)C(=O)CCc1ccsc1 1626a_100000225621_100000195497 [0,1,0,0,0,0|3,0,0]=4 1922 B13R1.554 CCN(C)C(=O)CCc1ccsc1 240690a_100000225621_100000195497 [0,1,0,0,0,0|3,0,0]=4 1923 B13R1.554 CCN(C)C(=O)CCc1ccsc1 527a_100000225621_100000195497 [0,1,0,0,0,0|3,0,0]=4 1924 B13R1.554 CCN(C)C(=O)CCc1cnc[nH]1 240690a_100000225621_100000044180 [0,1,0,0,0,0|3,0,0]=4 1925 B13R1.554 CCN(C)C(=O)CCc1cnc[nH]1 527a_100000225621_100000044180 [0,1,0,0,0,0|3,0,0]=4 1926 B13R1.554 CCN(C)C(=O)CCc1cncs1 11a_100000225621_100012184922 [0,1,0,0,0,0|2,1,0]=4 1927 B13R1.554 CCN(C)C(=O)CCc1cncs1 1626a_100000225621_100012184922 [0,1,0,0,0,0|2,1,0]=4 1928 B13R1.554 CCN(C)C(=O)CCc1cncs1 240690a_100000225621_100012184922 [0,1,0,0,0,0|2,1,0]=4 1929 B13R1.554 CCN(C)C(=O)CCc1cncs1 527a_100000225621_100012184922 [0,1,0,0,0,0|2,1,0]=4 1930 B13R1.554 CCN(C)C(=O)CCc1ncc[nH]1 240690a_100000225621_100000722789 [0,1,0,0,0,0|3,0,0]=4 1931 B13R1.554 CCN(C)C(=O)CCc1ncc[nH]1 527a_100000225621_100000722789 [0,1,0,0,0,0|3,0,0]=4 1932 B13R1.554 CCN(C)C(=O)CCc1nccs1 11a_100000225621_100000742873 [0,1,0,0,0,0|2,1,0]=4 1933 B13R1.554 CCN(C)C(=O)CCc1nccs1 1626a_100000225621_100000742873 [0,1,0,0,0,0|2,1,0]=4 1934 B13R1.554 CCN(C)C(=O)CCc1nccs1 240690a_100000225621_100000742873 [0,1,0,0,0,0|2,1,0]=4 1935 B13R1.554 CCN(C)C(=O)CCc1nccs1 527a_100000225621_100000742873 [0,1,0,0,0,0|2,1,0]=4 1936 B13R1.554 CCN(C)C(=O)CCn1cccc1 11a_100000225621_100011196273 [0,1,0,0,0,0|3,0,0]=4 1937 B13R1.554 CCN(C)C(=O)CCn1cccc1 1626a_100000225621_100011196273 [0,1,0,0,0,0|3,0,0]=4 1938 B13R1.554 CCN(C)C(=O)CCn1cccc1 527a_100000225621_100011196273 [0,1,0,0,0,0|3,0,0]=4 1939 B13R1.554 CCN(C)C(=O)CCn1cccn1 11a_100000225621_100000242649 [0,1,0,0,0,0|3,0,0]=4 1940 B13R1.554 CCN(C)C(=O)CCn1cccn1 1626a_100000225621_100000242649 [0,1,0,0,0,0|3,0,0]=4 1941 B13R1.554 CCN(C)C(=O)CCn1cccn1 240690a_100000225621_100000242649 [0,1,0,0,0,0|3,0,0]=4 1942 B13R1.554 CCN(C)C(=O)CCn1cccn1 527a_100000225621_100000242649 [0,1,0,0,0,0|3,0,0]=4 1943 B13R1.554 CCN(C)C(=O)CSc1ccco1 62a_100000738999_100009814098 [0,1,0,0,0,0|2,0,0]=3 1944 B13R1.554 CCN(C)C(=O)CSc1ccco1 62a_100009814098_100000738999 [0,1,0,0,0,0|2,0,0]=3 1945 B13R1.554 CCN(C)C(=O)CSc1cccs1 62a_100000738999_100011215356 [0,1,0,0,0,0|2,1,0]=4 1946 B13R1.554 CCN(C)C(=O)CSc1cccs1 62a_100011215356_100000738999 [0,1,0,0,0,0|2,1,0]=4 1947 B13R1.554 CCN(C)C(=O)CSc1cnco1 62a_100000738999_100020591547 [0,1,0,0,0,0|3,0,0]=4 1948 B13R1.554 CCN(C)C(=O)CSc1cnco1 62a_100020591547_100000738999 [0,1,0,0,0,0|3,0,0]=4 1949 B13R1.554 CCN(C)C(=O)CSc1ncco1 62a_100000738999_100011787736 [0,1,0,0,0,0|3,0,0]=4 1950 B13R1.554 CCN(C)C(=O)CSc1ncco1 62a_100011787736_100000738999 [0,1,0,0,0,0|3,0,0]=4 1951 B13R1.554 CCN(C)C(=O)NCc1ccc[nH]1 273464a_100000764082_100000225621 [0,1,0,0,0,0|3,0,0]=4 1952 B13R1.554 CCN(C)C(=O)NCc1ccco1 2708a_100000185738_100000225621 [0,1,0,0,0,0|2,0,0]=3 1953 B13R1.554 CCN(C)C(=O)NCc1ccco1 273464a_100000185738_100000225621 [0,1,0,0,0,0|2,0,0]=3 1954 B13R1.554 CCN(C)C(=O)NCc1cccs1 2708a_100000211653_100000225621 [0,1,0,0,0,0|2,1,0]=4 1955 B13R1.554 CCN(C)C(=O)NCc1cccs1 273464a_100000211653_100000225621 [0,1,0,0,0,0|2,1,0]=4 1956 B13R1.554 CCN(C)C(=O)NCc1cnco1 2708a_100020634212_100000225621 [0,1,0,0,0,0|3,0,0]=4 1957 B13R1.554 CCN(C)C(=O)NCc1cnco1 273464a_100020634212_100000225621 [0,1,0,0,0,0|3,0,0]=4 1958 B13R1.554 CCN(C)C(=O)NCc1ncco1 2708a_100016994969_100000225621 [0,1,0,0,0,0|3,0,0]=4 1959 B13R1.554 CCN(C)C(=O)NCc1ncco1 273464a_100016994969_100000225621 [0,1,0,0,0,0|3,0,0]=4 1960 B13R1.554 CNC(=O)C(=O)CCc1cccs1 1458a_100011218921_100000748579 [0,1,0,0,0,0|2,1,0]=4 1961 B13R1.554 CNC(=O)C(=O)NCc1ccco1 1626a_100000185738_100011218921 [0,1,0,0,0,0|3,0,0]=4 1962 B13R1.554 CNC(=O)C(=O)NCc1ccco1 240690a_100000185738_100011218921 [0,1,0,0,0,0|3,0,0]=4 1963 B13R1.554 CNC(=O)C(=O)NCc1ccco1 527a_100000185738_100011218921 [0,1,0,0,0,0|3,0,0]=4 1964 B13R1.554 CNC(C)C(=O)NCc1ccco1 2230a_106832991635_100000183933 [0,1,0,0,0,0|3,0,0]=4 1965 B13R1.554 CNC(C)C(=O)NCc1ccco1 7a_106832991635_100000183933 [0,1,0,0,0,0|3,0,0]=4 1966 B13R1.554 COC(=O)C(=O)CSc1ccco1 62a_100009814098_100011610305 [0,1,0,0,0,0|3,0,0]=4 1967 B13R1.554 COC(=O)C(=O)CSc1ccco1 62a_100011610305_100009814098 [0,1,0,0,0,0|3,0,0]=4 1968 B13R1.554 COC(=O)C(=O)NCc1ccco1 11a_100000185738_100000024059 [0,1,0,0,0,0|3,0,0]=4 1969 B13R1.554 COC(=O)C(=O)NCc1ccco1 1626a_100000185738_100000024059 [0,1,0,0,0,0|3,0,0]=4 1970 B13R1.554 COC(=O)C(=O)NCc1ccco1 240690a_100000185738_100000024059 [0,1,0,0,0,0|3,0,0]=4 1971 B13R1.554 COC(=O)C(=O)NCc1ccco1 527a_100000185738_100000024059 [0,1,0,0,0,0|3,0,0]=4 1972 B13R1.554 COC(C)C(=O)CCc1cccs1 1458a_100000743197_100000748579 [0,1,0,0,0,0|2,1,0]=4 1973 B13R1.554 COC(C)C(=O)NCc1ccco1 11a_100000185738_100000743197 [0,1,0,0,0,0|3,0,0]=4 1974 B13R1.554 COC(C)C(=O)NCc1ccco1 1626a_100000185738_100000743197 [0,1,0,0,0,0|3,0,0]=4 1975 B13R1.554 COC(C)C(=O)NCc1ccco1 240690a_100000185738_100000743197 [0,1,0,0,0,0|3,0,0]=4 1976 B13R1.554 COC(C)C(=O)NCc1ccco1 527a_100000185738_100000743197 [0,1,0,0,0,0|3,0,0]=4 1977 B13R1.554 CON(C)C(=O)CSc1ccco1 62a_100000764215_100009814098 [0,1,0,0,0,0|3,0,0]=4 1978 B13R1.554 CON(C)C(=O)CSc1ccco1 62a_100009814098_100000764215 [0,1,0,0,0,0|3,0,0]=4 1979 B13R1.554 CSC(C)C(=O)CCc1cccs1 1458a_100000149566_100000748579 [0,1,0,0,0,0|2,1,0]=4 1980 B13R1.554 CSC(C)C(=O)NCc1ccco1 11a_100000185738_100000149566 [0,1,0,0,0,0|3,0,0]=4 1981 B13R1.554 CSC(C)C(=O)NCc1ccco1 1626a_100000185738_100000149566 [0,1,0,0,0,0|3,0,0]=4 1982 B13R1.554 CSC(C)C(=O)NCc1ccco1 240690a_100000185738_100000149566 [0,1,0,0,0,0|3,0,0]=4 1983 B13R1.554 CSC(C)C(=O)NCc1ccco1 527a_100000185738_100000149566 [0,1,0,0,0,0|3,0,0]=4 1984 B13R1.554 CSC(C)C(=O)NCc1ccco1 62a_100000183933_200000210301 [0,1,0,0,0,0|3,0,0]=4 1985 B13R1.554 CSC(C)C(=O)NCc1ccco1 62a_200000210301_100000183933 [0,1,0,0,0,0|3,0,0]=4 1986 B13R1.554 O=C(CCc1cccs1)C(O)CO 1458a_100011215603_100000748579 [0,1,0,0,0,0|2,1,0]=4 1987 B13R1.554 O=C(NCc1ccco1)C(O)CO 240690a_100000185738_100011215603 [0,1,0,0,0,0|3,0,0]=4 1988 B13R1.593 C=C(C)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000748629 [0,1,0,0,0,0|2,0,1]=4 1989 B13R1.593 C=C(C)CC(=O)CCc1ccco1 1458a_100000185103_100000748629 [0,1,0,0,0,0|1,0,1]=3 1990 B13R1.593 C=C(C)CC(=O)CCc1cccs1 1458a_100000185280_100000748629 [0,1,0,0,0,0|1,1,1]=4 1991 B13R1.593 C=C(F)CC(=O)CCc1ccco1 1458a_100000185103_100009893438 [0,1,0,0,0,0|1,0,2]=4 1992 B13R1.593 CC(=CC(=O)CCc1cccs1)C 1458a_100000211388_100000748579 [0,1,0,0,0,0|1,1,1]=4 1993 B13R1.593 CC(=CC(=O)CCc1cccs1)Cl 1458a_200042562850_100000748579 [0,1,0,0,0,0|1,1,1]=4 1994 B13R1.593 CC(=CC(=O)CCc1cccs1)I 1458a_100025716642_100000748579 [0,1,0,0,0,0|1,1,1]=4 1995 B13R1.593 CC(=CC(=O)NCc1ccco1)C 11a_100000185738_100000211388 [0,1,0,0,0,0|2,0,1]=4 1996 B13R1.593 CC(=CC(=O)NCc1ccco1)C 1626a_100000185738_100000211388 [0,1,0,0,0,0|2,0,1]=4 1997 B13R1.593 CC(=CC(=O)NCc1ccco1)C 240690a_100000185738_100000211388 [0,1,0,0,0,0|2,0,1]=4 1998 B13R1.593 CC(=CC(=O)NCc1ccco1)Cl 11a_100000185738_200042562850 [0,1,0,0,0,0|2,0,1]=4 1999 B13R1.593 CC(=CC(=O)NCc1ccco1)Cl 1626a_100000185738_200042562850 [0,1,0,0,0,0|2,0,1]=4 2000 B13R1.593 CC(=CC(=O)NCc1ccco1)Cl 240690a_100000185738_200042562850 [0,1,0,0,0,0|2,0,1]=4 2001 B13R1.593 CC(=CC(=O)NCc1ccco1)I 11a_100000185738_100025716642 [0,1,0,0,0,0|2,0,1]=4 2002 B13R1.593 CC(=CC(=O)NCc1ccco1)I 1626a_100000185738_100025716642 [0,1,0,0,0,0|2,0,1]=4 2003 B13R1.593 CC(=O)CC(=O)NCc1ccco1 1458a_100000070787_100000183421 [0,1,0,0,0,0|2,0,1]=4 2004 B13R1.593 CC(=O)NC(=O)CSc1ccco1 62a_100009814098_100000183797 [0,1,0,0,0,0|2,0,1]=4 2005 B13R1.593 CC(C)CC(=O)CCc1c[nH]cn1 1458a_100000210554_100020628418 [0,1,0,0,0,0|3,0,0]=4 2006 B13R1.593 CC(C)CC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210624 [0,1,0,0,0,0|3,0,0]=4 2007 B13R1.593 CC(C)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210624 [0,1,0,0,0,0|2,0,0]=3 2008 B13R1.593 CC(C)CC(=O)CCc1ccco1 1458a_100000185103_100000210624 [0,1,0,0,0,0|1,0,0]=2 2009 B13R1.593 CC(C)CC(=O)CCc1cccs1 1458a_100000185280_100000210624 [0,1,0,0,0,0|1,1,0]=3 2010 B13R1.593 CC(C)CC(=O)CCc1cccs1 1458a_100000210554_100000748579 [0,1,0,0,0,0|1,1,0]=3 2011 B13R1.593 CC(C)CC(=O)CCc1ccsc1 1458a_100000195497_100000210624 [0,1,0,0,0,0|3,0,0]=4 2012 B13R1.593 CC(C)CC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210624 [0,1,0,0,0,0|3,0,0]=4 2013 B13R1.593 CC(C)CC(=O)CCc1cncs1 1458a_100012184922_100000210624 [0,1,0,0,0,0|2,1,0]=4 2014 B13R1.593 CC(C)CC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210624 [0,1,0,0,0,0|3,0,0]=4 2015 B13R1.593 CC(C)CC(=O)CCc1nccs1 1458a_100000742873_100000210624 [0,1,0,0,0,0|2,1,0]=4 2016 B13R1.593 CC(C)CC(=O)CCn1cccc1 1458a_100000210554_200000035178 [0,1,0,0,0,0|3,0,0]=4 2017 B13R1.593 CC(C)CC(=O)CCn1cccc1 1458a_100011196273_100000210624 [0,1,0,0,0,0|3,0,0]=4 2018 B13R1.593 CC(C)CC(=O)CCn1cccn1 1458a_100000210554_100000685285 [0,1,0,0,0,0|3,0,0]=4 2019 B13R1.593 CC(C)CC(=O)CCn1cccn1 1458a_100000242649_100000210624 [0,1,0,0,0,0|3,0,0]=4 2020 B13R1.593 CC(C)CC(=O)NCc1ccc[nH]1 11a_100000764082_100000210554 [0,1,0,0,0,0|3,0,0]=4 2021 B13R1.593 CC(C)CC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210554 [0,1,0,0,0,0|3,0,0]=4 2022 B13R1.593 CC(C)CC(=O)NCc1ccc[nH]1 527a_100000764082_100000210554 [0,1,0,0,0,0|3,0,0]=4 2023 B13R1.593 CC(C)CC(=O)NCc1ccco1 11a_100000185738_100000210554 [0,1,0,0,0,0|2,0,0]=3 2024 B13R1.593 CC(C)CC(=O)NCc1ccco1 1626a_100000185738_100000210554 [0,1,0,0,0,0|2,0,0]=3 2025 B13R1.593 CC(C)CC(=O)NCc1ccco1 240690a_100000185738_100000210554 [0,1,0,0,0,0|2,0,0]=3 2026 B13R1.593 CC(C)CC(=O)NCc1ccco1 527a_100000185738_100000210554 [0,1,0,0,0,0|2,0,0]=3 2027 B13R1.593 CC(C)CC(=O)NCc1cccs1 11a_100000211653_100000210554 [0,1,0,0,0,0|2,1,0]=4 2028 B13R1.593 CC(C)CC(=O)NCc1cccs1 1626a_100000211653_100000210554 [0,1,0,0,0,0|2,1,0]=4 2029 B13R1.593 CC(C)CC(=O)NCc1cccs1 240690a_100000211653_100000210554 [0,1,0,0,0,0|2,1,0]=4 2030 B13R1.593 CC(C)CC(=O)NCc1cccs1 527a_100000211653_100000210554 [0,1,0,0,0,0|2,1,0]=4 2031 B13R1.593 CC(C)CC(=O)NCc1cnco1 11a_100020634212_100000210554 [0,1,0,0,0,0|3,0,0]=4 2032 B13R1.593 CC(C)CC(=O)NCc1cnco1 240690a_100020634212_100000210554 [0,1,0,0,0,0|3,0,0]=4 2033 B13R1.593 CC(C)CC(=O)NCc1cnco1 527a_100020634212_100000210554 [0,1,0,0,0,0|3,0,0]=4 2034 B13R1.593 CC(C)CC(=O)NCc1ncco1 11a_100016994969_100000210554 [0,1,0,0,0,0|3,0,0]=4 2035 B13R1.593 CC(C)CC(=O)NCc1ncco1 1626a_100016994969_100000210554 [0,1,0,0,0,0|3,0,0]=4 2036 B13R1.593 CC(C)CC(=O)NCc1ncco1 240690a_100016994969_100000210554 [0,1,0,0,0,0|3,0,0]=4 2037 B13R1.593 CC(C)CC(=O)NCc1ncco1 527a_100016994969_100000210554 [0,1,0,0,0,0|3,0,0]=4 2038 B13R1.593 CC(C)NC(=O)CCc1cc[nH]c1 11a_100138425928_200000093579 [0,1,0,0,0,0|3,0,0]=4 2039 B13R1.593 CC(C)NC(=O)CCc1cc[nH]c1 240690a_100138425928_200000093579 [0,1,0,0,0,0|3,0,0]=4 2040 B13R1.593 CC(C)NC(=O)CCc1cc[nH]c1 527a_100138425928_200000093579 [0,1,0,0,0,0|3,0,0]=4 2041 B13R1.593 CC(C)NC(=O)CCc1ccc[nH]1 11a_100138425928_200011998680 [0,1,0,0,0,0|2,0,0]=3 2042 B13R1.593 CC(C)NC(=O)CCc1ccc[nH]1 240690a_100138425928_200011998680 [0,1,0,0,0,0|2,0,0]=3 2043 B13R1.593 CC(C)NC(=O)CCc1ccc[nH]1 527a_100138425928_200011998680 [0,1,0,0,0,0|2,0,0]=3 2044 B13R1.593 CC(C)NC(=O)CCc1ccco1 11a_100138425928_100000185103 [0,1,0,0,0,0|1,0,0]=2 2045 B13R1.593 CC(C)NC(=O)CCc1ccco1 1626a_100138425928_100000185103 [0,1,0,0,0,0|1,0,0]=2 2046 B13R1.593 CC(C)NC(=O)CCc1ccco1 527a_100138425928_100000185103 [0,1,0,0,0,0|1,0,0]=2 2047 B13R1.593 CC(C)NC(=O)CCc1cccs1 11a_100138425928_100000185280 [0,1,0,0,0,0|1,1,0]=3 2048 B13R1.593 CC(C)NC(=O)CCc1cccs1 1626a_100138425928_100000185280 [0,1,0,0,0,0|1,1,0]=3 2049 B13R1.593 CC(C)NC(=O)CCc1cccs1 240690a_100138425928_100000185280 [0,1,0,0,0,0|1,1,0]=3 2050 B13R1.593 CC(C)NC(=O)CCc1cccs1 527a_100138425928_100000185280 [0,1,0,0,0,0|1,1,0]=3 2051 B13R1.593 CC(C)NC(=O)CCc1ccsc1 11a_100138425928_100000195497 [0,1,0,0,0,0|3,0,0]=4 2052 B13R1.593 CC(C)NC(=O)CCc1ccsc1 1626a_100138425928_100000195497 [0,1,0,0,0,0|3,0,0]=4 2053 B13R1.593 CC(C)NC(=O)CCc1ccsc1 240690a_100138425928_100000195497 [0,1,0,0,0,0|3,0,0]=4 2054 B13R1.593 CC(C)NC(=O)CCc1ccsc1 527a_100138425928_100000195497 [0,1,0,0,0,0|3,0,0]=4 2055 B13R1.593 CC(C)NC(=O)CCc1cnc[nH]1 240690a_100138425928_100000044180 [0,1,0,0,0,0|3,0,0]=4 2056 B13R1.593 CC(C)NC(=O)CCc1cnc[nH]1 527a_100138425928_100000044180 [0,1,0,0,0,0|3,0,0]=4 2057 B13R1.593 CC(C)NC(=O)CCc1cncs1 11a_100138425928_100012184922 [0,1,0,0,0,0|2,1,0]=4 2058 B13R1.593 CC(C)NC(=O)CCc1cncs1 1626a_100138425928_100012184922 [0,1,0,0,0,0|2,1,0]=4 2059 B13R1.593 CC(C)NC(=O)CCc1cncs1 240690a_100138425928_100012184922 [0,1,0,0,0,0|2,1,0]=4 2060 B13R1.593 CC(C)NC(=O)CCc1cncs1 527a_100138425928_100012184922 [0,1,0,0,0,0|2,1,0]=4 2061 B13R1.593 CC(C)NC(=O)CCc1ncc[nH]1 240690a_100138425928_100000722789 [0,1,0,0,0,0|3,0,0]=4 2062 B13R1.593 CC(C)NC(=O)CCc1ncc[nH]1 527a_100138425928_100000722789 [0,1,0,0,0,0|3,0,0]=4 2063 B13R1.593 CC(C)NC(=O)CCc1nccs1 11a_100138425928_100000742873 [0,1,0,0,0,0|2,1,0]=4 2064 B13R1.593 CC(C)NC(=O)CCc1nccs1 1626a_100138425928_100000742873 [0,1,0,0,0,0|2,1,0]=4 2065 B13R1.593 CC(C)NC(=O)CCc1nccs1 240690a_100138425928_100000742873 [0,1,0,0,0,0|2,1,0]=4 2066 B13R1.593 CC(C)NC(=O)CCc1nccs1 527a_100138425928_100000742873 [0,1,0,0,0,0|2,1,0]=4 2067 B13R1.593 CC(C)NC(=O)CCn1cccc1 11a_100138425928_100011196273 [0,1,0,0,0,0|3,0,0]=4 2068 B13R1.593 CC(C)NC(=O)CCn1cccc1 1626a_100138425928_100011196273 [0,1,0,0,0,0|3,0,0]=4 2069 B13R1.593 CC(C)NC(=O)CCn1cccc1 527a_100138425928_100011196273 [0,1,0,0,0,0|3,0,0]=4 2070 B13R1.593 CC(C)NC(=O)CCn1cccn1 11a_100138425928_100000242649 [0,1,0,0,0,0|3,0,0]=4 2071 B13R1.593 CC(C)NC(=O)CCn1cccn1 1626a_100138425928_100000242649 [0,1,0,0,0,0|3,0,0]=4 2072 B13R1.593 CC(C)NC(=O)CCn1cccn1 240690a_100138425928_100000242649 [0,1,0,0,0,0|3,0,0]=4 2073 B13R1.593 CC(C)NC(=O)CCn1cccn1 527a_100138425928_100000242649 [0,1,0,0,0,0|3,0,0]=4 2074 B13R1.593 CC(C)NC(=O)CSc1ccco1 62a_100000183996_100009814098 [0,1,0,0,0,0|2,0,0]=3 2075 B13R1.593 CC(C)NC(=O)CSc1ccco1 62a_100009814098_100000183996 [0,1,0,0,0,0|2,0,0]=3 2076 B13R1.593 CC(C)NC(=O)CSc1cccs1 62a_100000183996_100011215356 [0,1,0,0,0,0|2,1,0]=4 2077 B13R1.593 CC(C)NC(=O)CSc1cccs1 62a_100011215356_100000183996 [0,1,0,0,0,0|2,1,0]=4 2078 B13R1.593 CC(C)NC(=O)CSc1cnco1 62a_100000183996_100020591547 [0,1,0,0,0,0|3,0,0]=4 2079 B13R1.593 CC(C)NC(=O)CSc1cnco1 62a_100020591547_100000183996 [0,1,0,0,0,0|3,0,0]=4 2080 B13R1.593 CC(C)NC(=O)CSc1ncco1 62a_100000183996_100011787736 [0,1,0,0,0,0|3,0,0]=4 2081 B13R1.593 CC(C)NC(=O)CSc1ncco1 62a_100011787736_100000183996 [0,1,0,0,0,0|3,0,0]=4 2082 B13R1.593 CC(C)NC(=O)NCc1ccc[nH]1 273464a_100138425928_100000764082 [0,1,0,0,0,0|3,0,0]=4 2083 B13R1.593 CC(C)NC(=O)NCc1ccc[nH]1 512a_100138425928_100000764082 [0,1,0,0,0,0|3,0,0]=4 2084 B13R1.593 CC(C)NC(=O)NCc1ccco1 2708a_100000185738_100138425928 [0,1,0,0,0,0|2,0,0]=3 2085 B13R1.593 CC(C)NC(=O)NCc1ccco1 2708a_100138425928_100000185738 [0,1,0,0,0,0|2,0,0]=3 2086 B13R1.593 CC(C)NC(=O)NCc1ccco1 512a_100000185738_100138425928 [0,1,0,0,0,0|2,0,0]=3 2087 B13R1.593 CC(C)NC(=O)NCc1ccco1 512a_100138425928_100000185738 [0,1,0,0,0,0|2,0,0]=3 2088 B13R1.593 CC(C)NC(=O)NCc1cccs1 2708a_100000211653_100138425928 [0,1,0,0,0,0|2,1,0]=4 2089 B13R1.593 CC(C)NC(=O)NCc1cccs1 2708a_100138425928_100000211653 [0,1,0,0,0,0|2,1,0]=4 2090 B13R1.593 CC(C)NC(=O)NCc1cccs1 273464a_100138425928_100000211653 [0,1,0,0,0,0|2,1,0]=4 2091 B13R1.593 CC(C)NC(=O)NCc1cccs1 512a_100000211653_100138425928 [0,1,0,0,0,0|2,1,0]=4 2092 B13R1.593 CC(C)NC(=O)NCc1cccs1 512a_100138425928_100000211653 [0,1,0,0,0,0|2,1,0]=4 2093 B13R1.593 CC(C)NC(=O)NCc1cnco1 2708a_100020634212_100138425928 [0,1,0,0,0,0|3,0,0]=4 2094 B13R1.593 CC(C)NC(=O)NCc1cnco1 2708a_100138425928_100020634212 [0,1,0,0,0,0|3,0,0]=4 2095 B13R1.593 CC(C)NC(=O)NCc1cnco1 273464a_100138425928_100020634212 [0,1,0,0,0,0|3,0,0]=4 2096 B13R1.593 CC(C)NC(=O)NCc1cnco1 512a_100020634212_100138425928 [0,1,0,0,0,0|3,0,0]=4 2097 B13R1.593 CC(C)NC(=O)NCc1cnco1 512a_100138425928_100020634212 [0,1,0,0,0,0|3,0,0]=4 2098 B13R1.593 CC(C)NC(=O)NCc1ncco1 2708a_100016994969_100138425928 [0,1,0,0,0,0|3,0,0]=4 2099 B13R1.593 CC(C)NC(=O)NCc1ncco1 2708a_100138425928_100016994969 [0,1,0,0,0,0|3,0,0]=4 2100 B13R1.593 CC(C)NC(=O)NCc1ncco1 273464a_100138425928_100016994969 [0,1,0,0,0,0|3,0,0]=4 2101 B13R1.593 CC(C)NC(=O)NCc1ncco1 512a_100016994969_100138425928 [0,1,0,0,0,0|3,0,0]=4 2102 B13R1.593 CC(C)NC(=O)NCc1ncco1 512a_100138425928_100016994969 [0,1,0,0,0,0|3,0,0]=4 2103 B13R1.593 CC(C)NC(C)CCc1ccco1 2230a_100000199034_100000210206 [0,1,0,0,0,0|2,0,1]=4 2104 B13R1.593 CC(C)NC(C)CCc1ccco1 34a_100000199034_100000210206 [0,1,0,0,0,0|2,0,1]=4 2105 B13R1.593 CC(C)OC(=O)CCN1CC=CC1 269982a_100015195280_100000760027 [0,1,0,0,0,0|2,0,1]=4 2106 B13R1.593 CC(C)OC(=O)COc1ccsc1 34a_100000106738_100011215430 [0,1,0,0,0,0|3,0,0]=4 2107 B13R1.593 CC(C)OC(=O)COc1ccsc1 7a_100000106738_100011215430 [0,1,0,0,0,0|3,0,0]=4 2108 B13R1.593 CC(C)OC(=O)CSc1c[nH]cn1 62a_100000756875_100011215430 [0,1,0,0,0,0|3,0,0]=4 2109 B13R1.593 CC(C)OC(=O)CSc1c[nH]cn1 62a_100011215430_100000756875 [0,1,0,0,0,0|3,0,0]=4 2110 B13R1.593 CC(C)OC(=O)CSc1cc[nH]n1 62a_100000062575_100011215430 [0,1,0,0,0,0|3,0,0]=4 2111 B13R1.593 CC(C)OC(=O)CSc1cc[nH]n1 62a_100011215430_100000062575 [0,1,0,0,0,0|3,0,0]=4 2112 B13R1.593 CC(C)OC(=O)CSc1ccco1 62a_100009814098_100011215430 [0,1,0,0,0,0|1,0,0]=2 2113 B13R1.593 CC(C)OC(=O)CSc1ccco1 62a_100011215430_100009814098 [0,1,0,0,0,0|1,0,0]=2 2114 B13R1.593 CC(C)OC(=O)CSc1cccs1 62a_100011215356_100011215430 [0,1,0,0,0,0|1,1,0]=3 2115 B13R1.593 CC(C)OC(=O)CSc1cccs1 62a_100011215430_100011215356 [0,1,0,0,0,0|1,1,0]=3 2116 B13R1.593 CC(C)OC(=O)CSc1ccoc1 62a_100011215275_100011215430 [0,1,0,0,0,0|3,0,0]=4 2117 B13R1.593 CC(C)OC(=O)CSc1ccoc1 62a_100011215430_100011215275 [0,1,0,0,0,0|3,0,0]=4 2118 B13R1.593 CC(C)OC(=O)CSc1ccon1 62a_100009818083_100011215430 [0,1,0,0,0,0|3,0,0]=4 2119 B13R1.593 CC(C)OC(=O)CSc1ccon1 62a_100011215430_100009818083 [0,1,0,0,0,0|3,0,0]=4 2120 B13R1.593 CC(C)OC(=O)CSc1ccsc1 62a_100000738268_100011215430 [0,1,0,0,0,0|3,0,0]=4 2121 B13R1.593 CC(C)OC(=O)CSc1ccsc1 62a_100011215430_100000738268 [0,1,0,0,0,0|3,0,0]=4 2122 B13R1.593 CC(C)OC(=O)CSc1ccsn1 62a_100009818082_100011215430 [0,1,0,0,0,0|3,0,0]=4 2123 B13R1.593 CC(C)OC(=O)CSc1ccsn1 62a_100011215430_100009818082 [0,1,0,0,0,0|3,0,0]=4 2124 B13R1.593 CC(C)OC(=O)CSc1cnco1 62a_100011215430_100020591547 [0,1,0,0,0,0|2,0,0]=3 2125 B13R1.593 CC(C)OC(=O)CSc1cnco1 62a_100020591547_100011215430 [0,1,0,0,0,0|2,0,0]=3 2126 B13R1.593 CC(C)OC(=O)CSc1cncs1 62a_100011215430_100011934649 [0,1,0,0,0,0|2,1,0]=4 2127 B13R1.593 CC(C)OC(=O)CSc1cncs1 62a_100011934649_100011215430 [0,1,0,0,0,0|2,1,0]=4 2128 B13R1.593 CC(C)OC(=O)CSc1cscn1 62a_100000751502_100011215430 [0,1,0,0,0,0|3,0,0]=4 2129 B13R1.593 CC(C)OC(=O)CSc1cscn1 62a_100011215430_100000751502 [0,1,0,0,0,0|3,0,0]=4 2130 B13R1.593 CC(C)OC(=O)CSc1ncc[nH]1 62a_100011215430_100025796157 [0,1,0,0,0,0|3,0,0]=4 2131 B13R1.593 CC(C)OC(=O)CSc1ncc[nH]1 62a_100025796157_100011215430 [0,1,0,0,0,0|3,0,0]=4 2132 B13R1.593 CC(C)OC(=O)CSc1ncco1 62a_100011215430_100011787736 [0,1,0,0,0,0|2,0,0]=3 2133 B13R1.593 CC(C)OC(=O)CSc1ncco1 62a_100011787736_100011215430 [0,1,0,0,0,0|2,0,0]=3 2134 B13R1.593 CC(C)OC(=O)CSc1nccs1 62a_100000211983_100011215430 [0,1,0,0,0,0|2,1,0]=4 2135 B13R1.593 CC(C)OC(=O)CSc1nccs1 62a_100011215430_100000211983 [0,1,0,0,0,0|2,1,0]=4 2136 B13R1.593 CC(O)CC(=O)CCc1cc[nH]c1 1458a_200000093579_100011218427 [0,1,0,0,0,0|3,0,0]=4 2137 B13R1.593 CC(O)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100011218427 [0,1,0,0,0,0|2,0,0]=3 2138 B13R1.593 CC(O)CC(=O)CCc1ccco1 1458a_100000185103_100011218427 [0,1,0,0,0,0|1,0,0]=2 2139 B13R1.593 CC(O)CC(=O)CCc1cccs1 1458a_100000185280_100011218427 [0,1,0,0,0,0|1,1,0]=3 2140 B13R1.593 CC(O)CC(=O)CCc1ccsc1 1458a_100000195497_100011218427 [0,1,0,0,0,0|3,0,0]=4 2141 B13R1.593 CC(O)CC(=O)CCc1cnc[nH]1 1458a_100000044180_100011218427 [0,1,0,0,0,0|3,0,0]=4 2142 B13R1.593 CC(O)CC(=O)CCc1cncs1 1458a_100012184922_100011218427 [0,1,0,0,0,0|2,1,0]=4 2143 B13R1.593 CC(O)CC(=O)CCc1ncc[nH]1 1458a_100000722789_100011218427 [0,1,0,0,0,0|3,0,0]=4 2144 B13R1.593 CC(O)CC(=O)CCc1nccs1 1458a_100000742873_100011218427 [0,1,0,0,0,0|2,1,0]=4 2145 B13R1.593 CC(O)CC(=O)CCn1cccc1 1458a_100011196273_100011218427 [0,1,0,0,0,0|3,0,0]=4 2146 B13R1.593 CC(O)CC(=O)CCn1cccn1 1458a_100000242649_100011218427 [0,1,0,0,0,0|3,0,0]=4 2147 B13R1.593 CN(C)CC(=O)CCc1cccs1 1458a_100000750896_100000748579 [0,1,0,0,0,0|2,1,0]=4 2148 B13R1.593 CN(C)CC(=O)NCc1ccco1 11a_100000185738_100000750896 [0,1,0,0,0,0|3,0,0]=4 2149 B13R1.593 CN(C)CC(=O)NCc1ccco1 2230a_100102631434_100000183421 [0,1,0,0,0,0|3,0,0]=4 2150 B13R1.593 CN(C)CC(=O)NCc1ccco1 240690a_100000185738_100000750896 [0,1,0,0,0,0|3,0,0]=4 2151 B13R1.593 CN(C)CC(=O)NCc1ccco1 269982a_100102631434_100000183421 [0,1,0,0,0,0|3,0,0]=4 2152 B13R1.593 CN(C)CC(=O)NCc1ccco1 527a_100000185738_100000750896 [0,1,0,0,0,0|3,0,0]=4 2153 B13R1.593 C[C@@H](O)CC(=O)CCc1c[nH]cn1 1458a_100011933948_100020628418 [0,1,0,0,0,0|3,0,0]=4 2154 B13R1.593 C[C@@H](O)CC(=O)CCc1cccs1 1458a_100011933948_100000748579 [0,1,0,0,0,0|1,1,0]=3 2155 B13R1.593 C[C@@H](O)CC(=O)CCn1cccc1 1458a_100011933948_200000035178 [0,1,0,0,0,0|3,0,0]=4 2156 B13R1.593 C[C@@H](O)CC(=O)CCn1cccn1 1458a_100011933948_100000685285 [0,1,0,0,0,0|3,0,0]=4 2157 B13R1.593 C[C@@H](O)CC(=O)NCc1ccc[nH]1 240690a_100000764082_100011933948 [0,1,0,0,0,0|3,0,0]=4 2158 B13R1.593 C[C@@H](O)CC(=O)NCc1ccco1 240690a_100000185738_100011933948 [0,1,0,0,0,0|2,0,0]=3 2159 B13R1.593 C[C@@H](O)CC(=O)NCc1cccs1 240690a_100000211653_100011933948 [0,1,0,0,0,0|2,1,0]=4 2160 B13R1.593 C[C@@H](O)CC(=O)NCc1cnco1 240690a_100020634212_100011933948 [0,1,0,0,0,0|3,0,0]=4 2161 B13R1.593 C[C@@H](O)CC(=O)NCc1ncco1 240690a_100016994969_100011933948 [0,1,0,0,0,0|3,0,0]=4 2162 B13R1.593 C[S+](C)CC(=O)CCc1cccs1 1458a_200159257847_100000748579 [0,1,0,0,0,0|2,1,0]=4 2163 B13R1.593 C[S+](C)CC(=O)NCc1ccco1 11a_100000185738_200159257847 [0,1,0,0,0,0|3,0,0]=4 2164 B13R1.593 C[S+](C)CC(=O)NCc1ccco1 1626a_100000185738_200159257847 [0,1,0,0,0,0|3,0,0]=4 2165 B13R1.593 C[S+](C)CC(=O)NCc1ccco1 240690a_100000185738_200159257847 [0,1,0,0,0,0|3,0,0]=4 2166 B13R1.593 C[S+](C)CC(=O)NCc1ccco1 527a_100000185738_200159257847 [0,1,0,0,0,0|3,0,0]=4 2167 B13R1.593 NC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000187820 [0,1,0,0,0,0|2,0,1]=4 2168 B13R1.593 O=C(CCc1ccc[nH]1)CC(F)F 1458a_200011998680_100011934356 [0,1,0,0,0,0|3,0,0]=4 2169 B13R1.593 O=C(CCc1ccco1)CC(F)F 1458a_100000185103_100011934356 [0,1,0,0,0,0|2,0,0]=3 2170 B13R1.593 O=C(CCc1ccco1)C[N+](=O)[O-] 1458a_100000185103_100000761209 [0,1,0,0,0,0|3,0,0]=4 2171 B13R1.593 O=C(CCc1cccs1)CC(F)F 1458a_100000185280_100011934356 [0,1,0,0,0,0|2,1,0]=4 2172 B13R1.593 O=C([O-])CC(=O)CCc1ccco1 1458a_100000185103_100020667443 [0,1,0,0,0,0|2,0,1]=4 2173 B13R1.1330 CCCS(=O)(=O)NCc1ccco1 270084a_100000185738_100000211391 [0,1,0,0,0,0|3,0,0]=4 2174 B13R1.1330 CCCS(=O)(=O)NCc1ccco1 274078a_100000185738_100000211391 [0,1,0,0,0,0|3,0,0]=4 2175 B13R1.1330 CCCS(=O)(=O)NCc1ccco1 40a_100000185738_100000054278 [0,1,0,0,0,0|3,0,0]=4 2176 B13R1.1330 CCO[Si](C)(C)CSc1ccco1 62a_100009814098_200000065227 [0,1,0,0,0,0|2,1,0]=4 2177 B13R1.1330 CCO[Si](C)(C)CSc1ccco1 62a_200000065227_100009814098 [0,1,0,0,0,0|2,1,0]=4 2178 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [0,0,1,0,0,0|2,0,1]=4 2179 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [0,0,1,0,0,0|2,0,1]=4 2180 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [0,0,1,0,0,0|2,0,1]=4 2181 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,0,1,0,0,0|2,0,1]=4 2182 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,0,1,0,0,0|2,0,1]=4 2183 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,0,1,0,0,0|2,0,1]=4 2184 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,0,1,0,0,0|2,0,1]=4 2185 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,0,1,0,0,0|1,0,2]=4 2186 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,0,1,0,0,0|0,0,2]=3 2187 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,0,1,0,0,0|0,0,2]=3 2188 B11R0.4 C=CCOCCNC(=O)OCC 34a_100000158857_100015514636 [0,0,1,0,0,0|1,0,2]=4 2189 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,0,1,0,0,0|0,1,2]=4 2190 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,0,1,0,0,0|0,1,2]=4 2191 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [0,0,1,0,0,0|2,0,1]=4 2192 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [0,0,1,0,0,0|2,0,1]=4 2193 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,0,1,0,0,0|1,0,2]=4 2194 B11R0.9 C=CC(C=C)OCC(=O)OCC 34a_100000033096_100000188475 [0,0,1,0,0,0|2,0,1]=4 2195 B11R0.62 C=CCC(=O)CCC(=O)NCC 1458a_100000199579_100000210623 [0,0,1,0,0,0|1,0,2]=4 2196 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,0,1,0,0,0|0,0,2]=3 2197 B11R0.62 C=CCC(=O)CNC(=O)OCC 1458a_100000190774_100000210623 [0,0,1,0,0,0|1,0,2]=4 2198 B11R0.62 C=CCC(=O)NCC(=O)OCC 188690a_100000741813_100000210193 [0,0,1,0,0,0|1,0,2]=4 2199 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000225617_100011206558 [0,0,1,0,0,0|2,0,1]=4 2200 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000745921_100000210623 [0,0,1,0,0,0|2,0,1]=4 2201 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000225617_100011206558 [0,0,1,0,0,0|2,0,1]=4 2202 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000745921_100000210623 [0,0,1,0,0,0|2,0,1]=4 2203 B11R0.62 CC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000210699 [0,0,1,0,0,0|1,0,2]=4 2204 B13R2.13 O=C1C=C(CCC1)c2ccco2 271570a_100000723966_100009814098 [0,0,0,1,0,0|1,0,2]=4 2205 B13R2.29 O=C1CCCC1Sc2ccco2 62a_100000211823_100009814098 [0,0,0,1,0,0|2,0,0]=3 2206 B13R2.29 O=C1CCCC1Sc2ccco2 62a_100009814098_100000211823 [0,0,0,1,0,0|2,0,0]=3 2207 B13R2.29 O=C1CCCC1Sc2cccs2 62a_100000211823_100011215356 [0,0,0,1,0,0|2,1,0]=4 2208 B13R2.29 O=C1CCCC1Sc2cccs2 62a_100011215356_100000211823 [0,0,0,1,0,0|2,1,0]=4 2209 B13R2.29 O=C1CCCC1Sc2cnco2 62a_100000211823_100020591547 [0,0,0,1,0,0|3,0,0]=4 2210 B13R2.29 O=C1CCCC1Sc2cnco2 62a_100020591547_100000211823 [0,0,0,1,0,0|3,0,0]=4 2211 B13R2.29 O=C1CCCC1Sc2ncco2 62a_100000211823_100011787736 [0,0,0,1,0,0|3,0,0]=4 2212 B13R2.29 O=C1CCCC1Sc2ncco2 62a_100011787736_100000211823 [0,0,0,1,0,0|3,0,0]=4 2213 B13R2.29 O=C1OCCC1Oc2ccsc2 34a_100000106738_100000211211 [0,0,0,1,0,0|3,0,0]=4 2214 B13R2.29 O=C1OCCC1Oc2ccsc2 7a_100000106738_100000211211 [0,0,0,1,0,0|3,0,0]=4 2215 B13R2.29 O=C1OCCC1Sc2c[nH]cn2 62a_100000211211_100000756875 [0,0,0,1,0,0|3,0,0]=4 2216 B13R2.29 O=C1OCCC1Sc2c[nH]cn2 62a_100000756875_100000211211 [0,0,0,1,0,0|3,0,0]=4 2217 B13R2.29 O=C1OCCC1Sc2cc[nH]n2 62a_100000062575_100000211211 [0,0,0,1,0,0|3,0,0]=4 2218 B13R2.29 O=C1OCCC1Sc2cc[nH]n2 62a_100000211211_100000062575 [0,0,0,1,0,0|3,0,0]=4 2219 B13R2.29 O=C1OCCC1Sc2ccco2 62a_100000211211_100009814098 [0,0,0,1,0,0|1,0,0]=2 2220 B13R2.29 O=C1OCCC1Sc2ccco2 62a_100009814098_100000211211 [0,0,0,1,0,0|1,0,0]=2 2221 B13R2.29 O=C1OCCC1Sc2cccs2 62a_100000211211_100011215356 [0,0,0,1,0,0|1,1,0]=3 2222 B13R2.29 O=C1OCCC1Sc2cccs2 62a_100011215356_100000211211 [0,0,0,1,0,0|1,1,0]=3 2223 B13R2.29 O=C1OCCC1Sc2ccoc2 62a_100000211211_100011215275 [0,0,0,1,0,0|3,0,0]=4 2224 B13R2.29 O=C1OCCC1Sc2ccoc2 62a_100011215275_100000211211 [0,0,0,1,0,0|3,0,0]=4 2225 B13R2.29 O=C1OCCC1Sc2ccon2 62a_100000211211_100009818083 [0,0,0,1,0,0|3,0,0]=4 2226 B13R2.29 O=C1OCCC1Sc2ccon2 62a_100009818083_100000211211 [0,0,0,1,0,0|3,0,0]=4 2227 B13R2.29 O=C1OCCC1Sc2ccsc2 62a_100000211211_100000738268 [0,0,0,1,0,0|3,0,0]=4 2228 B13R2.29 O=C1OCCC1Sc2ccsc2 62a_100000738268_100000211211 [0,0,0,1,0,0|3,0,0]=4 2229 B13R2.29 O=C1OCCC1Sc2ccsn2 62a_100000211211_100009818082 [0,0,0,1,0,0|3,0,0]=4 2230 B13R2.29 O=C1OCCC1Sc2ccsn2 62a_100009818082_100000211211 [0,0,0,1,0,0|3,0,0]=4 2231 B13R2.29 O=C1OCCC1Sc2cnco2 62a_100000211211_100020591547 [0,0,0,1,0,0|2,0,0]=3 2232 B13R2.29 O=C1OCCC1Sc2cnco2 62a_100020591547_100000211211 [0,0,0,1,0,0|2,0,0]=3 2233 B13R2.29 O=C1OCCC1Sc2cncs2 62a_100000211211_100011934649 [0,0,0,1,0,0|2,1,0]=4 2234 B13R2.29 O=C1OCCC1Sc2cncs2 62a_100011934649_100000211211 [0,0,0,1,0,0|2,1,0]=4 2235 B13R2.29 O=C1OCCC1Sc2cscn2 62a_100000211211_100000751502 [0,0,0,1,0,0|3,0,0]=4 2236 B13R2.29 O=C1OCCC1Sc2cscn2 62a_100000751502_100000211211 [0,0,0,1,0,0|3,0,0]=4 2237 B13R2.29 O=C1OCCC1Sc2ncc[nH]2 62a_100000211211_100025796157 [0,0,0,1,0,0|3,0,0]=4 2238 B13R2.29 O=C1OCCC1Sc2ncc[nH]2 62a_100025796157_100000211211 [0,0,0,1,0,0|3,0,0]=4 2239 B13R2.29 O=C1OCCC1Sc2ncco2 62a_100000211211_100011787736 [0,0,0,1,0,0|2,0,0]=3 2240 B13R2.29 O=C1OCCC1Sc2ncco2 62a_100011787736_100000211211 [0,0,0,1,0,0|2,0,0]=3 2241 B13R2.29 O=C1OCCC1Sc2nccs2 62a_100000211211_100000211983 [0,0,0,1,0,0|2,1,0]=4 2242 B13R2.29 O=C1OCCC1Sc2nccs2 62a_100000211983_100000211211 [0,0,0,1,0,0|2,1,0]=4 2243 B13R2.183 c1coc(c1)SCC2=NCCN2 62a_100000737910_100009814098 [0,0,0,1,0,0|3,0,0]=4 2244 B13R2.183 c1coc(c1)SCC2=NCCN2 62a_100009814098_100000737910 [0,0,0,1,0,0|3,0,0]=4 2245 B13R2.183 c1coc(c1)SCC2CCCO2 62a_100000203698_100009814098 [0,0,0,1,0,0|2,0,1]=4 2246 B13R2.183 c1coc(c1)SCC2CCCO2 62a_100009814098_100000203698 [0,0,0,1,0,0|2,0,1]=4 2247 B13R2.183 c1coc(c1)SCC2OCCO2 62a_100000755774_100009814098 [0,0,0,1,0,0|1,0,2]=4 2248 B13R2.183 c1coc(c1)SCC2OCCO2 62a_100009814098_100000755774 [0,0,0,1,0,0|1,0,2]=4 2249 B13R2.449 CCOc1ccc2occc2c1 34a_100000070125_100000210202 [0,0,0,1,0,0|1,0,2]=4 2250 B13R2.449 CCOc1ccc2occc2c1 7a_100000070125_100000210202 [0,0,0,1,0,0|1,0,2]=4 2251 B13R2.6970 O=C(CCc1c[nH]cn1)C2CC2 1458a_100000210395_100020628418 [0,0,0,1,0,0|3,0,0]=4 2252 B13R2.6970 O=C(CCc1cccs1)C2CC2 1458a_100000210395_100000748579 [0,0,0,1,0,0|1,1,0]=3 2253 B13R2.6970 O=C(CCc1cccs1)C2CO2 1458a_100000701028_100000748579 [0,0,0,1,0,0|2,1,0]=4 2254 B13R2.6970 O=C(CCn1cccc1)C2CC2 1458a_100000210395_200000035178 [0,0,0,1,0,0|3,0,0]=4 2255 B13R2.6970 O=C(CCn1cccn1)C2CC2 1458a_100000210395_100000685285 [0,0,0,1,0,0|3,0,0]=4 2256 B13R2.6970 O=C(CSc1ccco1)C2CC2 62a_100000746382_100009814098 [0,0,0,1,0,0|2,0,0]=3 2257 B13R2.6970 O=C(CSc1ccco1)C2CC2 62a_100009814098_100000746382 [0,0,0,1,0,0|2,0,0]=3 2258 B13R2.6970 O=C(CSc1cccs1)C2CC2 62a_100000746382_100011215356 [0,0,0,1,0,0|2,1,0]=4 2259 B13R2.6970 O=C(CSc1cccs1)C2CC2 62a_100011215356_100000746382 [0,0,0,1,0,0|2,1,0]=4 2260 B13R2.6970 O=C(CSc1cnco1)C2CC2 62a_100000746382_100020591547 [0,0,0,1,0,0|3,0,0]=4 2261 B13R2.6970 O=C(CSc1cnco1)C2CC2 62a_100020591547_100000746382 [0,0,0,1,0,0|3,0,0]=4 2262 B13R2.6970 O=C(CSc1ncco1)C2CC2 62a_100000746382_100011787736 [0,0,0,1,0,0|3,0,0]=4 2263 B13R2.6970 O=C(CSc1ncco1)C2CC2 62a_100011787736_100000746382 [0,0,0,1,0,0|3,0,0]=4 2264 B13R2.6970 O=C(NCc1ccc[nH]1)C2CC2 11a_100000764082_100000210395 [0,0,0,1,0,0|3,0,0]=4 2265 B13R2.6970 O=C(NCc1ccc[nH]1)C2CC2 240690a_100000764082_100000210395 [0,0,0,1,0,0|3,0,0]=4 2266 B13R2.6970 O=C(NCc1ccc[nH]1)C2CC2 527a_100000764082_100000210395 [0,0,0,1,0,0|3,0,0]=4 2267 B13R2.6970 O=C(NCc1ccco1)C2CC2 11a_100000185738_100000210395 [0,0,0,1,0,0|2,0,0]=3 2268 B13R2.6970 O=C(NCc1ccco1)C2CC2 1626a_100000185738_100000210395 [0,0,0,1,0,0|2,0,0]=3 2269 B13R2.6970 O=C(NCc1ccco1)C2CC2 240690a_100000185738_100000210395 [0,0,0,1,0,0|2,0,0]=3 2270 B13R2.6970 O=C(NCc1ccco1)C2CC2 527a_100000185738_100000210395 [0,0,0,1,0,0|2,0,0]=3 2271 B13R2.6970 O=C(NCc1ccco1)C2CO2 11a_100000185738_100000701028 [0,0,0,1,0,0|3,0,0]=4 2272 B13R2.6970 O=C(NCc1ccco1)C2CO2 1626a_100000185738_100000701028 [0,0,0,1,0,0|3,0,0]=4 2273 B13R2.6970 O=C(NCc1ccco1)C2CO2 240690a_100000185738_100000701028 [0,0,0,1,0,0|3,0,0]=4 2274 B13R2.6970 O=C(NCc1ccco1)C2CO2 527a_100000185738_100000701028 [0,0,0,1,0,0|3,0,0]=4 2275 B13R2.6970 O=C(NCc1cccs1)C2CC2 11a_100000211653_100000210395 [0,0,0,1,0,0|2,1,0]=4 2276 B13R2.6970 O=C(NCc1cccs1)C2CC2 1626a_100000211653_100000210395 [0,0,0,1,0,0|2,1,0]=4 2277 B13R2.6970 O=C(NCc1cccs1)C2CC2 240690a_100000211653_100000210395 [0,0,0,1,0,0|2,1,0]=4 2278 B13R2.6970 O=C(NCc1cccs1)C2CC2 527a_100000211653_100000210395 [0,0,0,1,0,0|2,1,0]=4 2279 B13R2.6970 O=C(NCc1cnco1)C2CC2 11a_100020634212_100000210395 [0,0,0,1,0,0|3,0,0]=4 2280 B13R2.6970 O=C(NCc1cnco1)C2CC2 240690a_100020634212_100000210395 [0,0,0,1,0,0|3,0,0]=4 2281 B13R2.6970 O=C(NCc1cnco1)C2CC2 527a_100020634212_100000210395 [0,0,0,1,0,0|3,0,0]=4 2282 B13R2.6970 O=C(NCc1ncco1)C2CC2 11a_100016994969_100000210395 [0,0,0,1,0,0|3,0,0]=4 2283 B13R2.6970 O=C(NCc1ncco1)C2CC2 1626a_100016994969_100000210395 [0,0,0,1,0,0|3,0,0]=4 2284 B13R2.6970 O=C(NCc1ncco1)C2CC2 240690a_100016994969_100000210395 [0,0,0,1,0,0|3,0,0]=4 2285 B13R2.6970 O=C(NCc1ncco1)C2CC2 527a_100016994969_100000210395 [0,0,0,1,0,0|3,0,0]=4 2286 B11R1.30 C#CCC(=O)Cc1ccco1 1458a_100011217309_100000184674 [0,0,0,0,1,0|1,0,2]=4 2287 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,0,0,0,1,0|1,0,2]=4 2288 B11R1.30 CC#CC(=O)Cc1ncco1 1458a_100000763181_103436540062 [0,0,0,0,1,0|2,0,1]=4 2289 B11R1.30 CC(Cc1ccco1)OCF 34a_100011803939_100015361967 [0,0,0,0,1,0|2,0,1]=4 2290 B11R1.30 CC(Cc1ccco1)OCF 7a_100011803939_100015361967 [0,0,0,0,1,0|2,0,1]=4 2291 B11R1.30 CC=CC(=O)Cc1ncco1 1458a_100000210699_103436540062 [0,0,0,0,1,0|2,0,1]=4 2292 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100000211992_100000707719 [0,0,0,0,1,0|3,0,0]=4 2293 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210303 [0,0,0,0,1,0|3,0,0]=4 2294 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,0,0,0,1,0|2,0,0]=3 2295 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,0,0,0,1,0|1,0,0]=2 2296 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,0,0,0,1,0|1,1,0]=3 2297 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000211992_100000728653 [0,0,0,0,1,0|3,0,0]=4 2298 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210303 [0,0,0,0,1,0|3,0,0]=4 2299 B11R1.30 CCCC(=O)Cc1ccoc1 1458a_100000684892_100000210303 [0,0,0,0,1,0|3,0,0]=4 2300 B11R1.30 CCCC(=O)Cc1ccon1 1458a_100000211992_100000234950 [0,0,0,0,1,0|3,0,0]=4 2301 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000184062_100000210303 [0,0,0,0,1,0|3,0,0]=4 2302 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000211992_100011233845 [0,0,0,0,1,0|3,0,0]=4 2303 B11R1.30 CCCC(=O)Cc1cncs1 1458a_100000211992_100015185245 [0,0,0,0,1,0|2,1,0]=4 2304 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100000211992_100000205941 [0,0,0,0,1,0|3,0,0]=4 2305 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100011438297_100000210303 [0,0,0,0,1,0|3,0,0]=4 2306 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,0,0,0,1,0|2,0,0]=3 2307 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,0,0,0,1,0|2,1,0]=4 2308 B11R1.30 CCCC(=O)Cn1cccc1 1458a_100011196272_100000210303 [0,0,0,0,1,0|3,0,0]=4 2309 B11R1.30 CCCC(=O)Cn1cccn1 1458a_100000233772_100000210303 [0,0,0,0,1,0|3,0,0]=4 2310 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [0,0,0,0,1,0|3,0,0]=4 2311 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [0,0,0,0,1,0|3,0,0]=4 2312 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [0,0,0,0,1,0|3,0,0]=4 2313 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [0,0,0,0,1,0|3,0,0]=4 2314 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [0,0,0,0,1,0|3,0,0]=4 2315 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [0,0,0,0,1,0|3,0,0]=4 2316 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [0,0,0,0,1,0|3,0,0]=4 2317 B11R1.30 CCNC(=O)Cc1c[nH]cn1 240690a_100015525214_100015291406 [0,0,0,0,1,0|3,0,0]=4 2318 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,0,0,0,1,0|2,0,0]=3 2319 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,0,0,0,1,0|2,0,0]=3 2320 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,0,0,0,1,0|2,0,0]=3 2321 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,0,0,0,1,0|1,0,0]=2 2322 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,0,0,0,1,0|1,0,0]=2 2323 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,0,0,0,1,0|1,1,0]=3 2324 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,0,0,0,1,0|1,1,0]=3 2325 B11R1.30 CCNC(=O)Cc1ccn[nH]1 11a_100015525214_100000752941 [0,0,0,0,1,0|3,0,0]=4 2326 B11R1.30 CCNC(=O)Cc1ccn[nH]1 240690a_100015525214_100000752941 [0,0,0,0,1,0|3,0,0]=4 2327 B11R1.30 CCNC(=O)Cc1ccn[nH]1 527a_100015525214_100000752941 [0,0,0,0,1,0|3,0,0]=4 2328 B11R1.30 CCNC(=O)Cc1ccoc1 11a_100015525214_100000684892 [0,0,0,0,1,0|3,0,0]=4 2329 B11R1.30 CCNC(=O)Cc1ccoc1 240690a_100015525214_100000684892 [0,0,0,0,1,0|3,0,0]=4 2330 B11R1.30 CCNC(=O)Cc1ccoc1 527a_100015525214_100000684892 [0,0,0,0,1,0|3,0,0]=4 2331 B11R1.30 CCNC(=O)Cc1ccsc1 11a_100015525214_100000184062 [0,0,0,0,1,0|3,0,0]=4 2332 B11R1.30 CCNC(=O)Cc1ccsc1 240690a_100015525214_100000184062 [0,0,0,0,1,0|3,0,0]=4 2333 B11R1.30 CCNC(=O)Cc1ccsc1 527a_100015525214_100000184062 [0,0,0,0,1,0|3,0,0]=4 2334 B11R1.30 CCNC(=O)Cc1cscn1 11a_100015525214_100011438297 [0,0,0,0,1,0|3,0,0]=4 2335 B11R1.30 CCNC(=O)Cc1cscn1 240690a_100015525214_100011438297 [0,0,0,0,1,0|3,0,0]=4 2336 B11R1.30 CCNC(=O)Cc1cscn1 527a_100015525214_100011438297 [0,0,0,0,1,0|3,0,0]=4 2337 B11R1.30 CCNC(=O)Cn1cccc1 11a_100015525214_100011196272 [0,0,0,0,1,0|3,0,0]=4 2338 B11R1.30 CCNC(=O)Cn1cccc1 527a_100015525214_100011196272 [0,0,0,0,1,0|3,0,0]=4 2339 B11R1.30 CCNC(=O)Cn1cccn1 11a_100015525214_100000233772 [0,0,0,0,1,0|3,0,0]=4 2340 B11R1.30 CCNC(=O)Cn1cccn1 240690a_100015525214_100000233772 [0,0,0,0,1,0|3,0,0]=4 2341 B11R1.30 CCNC(=O)Cn1cccn1 527a_100015525214_100000233772 [0,0,0,0,1,0|3,0,0]=4 2342 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,0,0,0,1,0|2,0,1]=4 2343 B11R1.30 CCOC(=O)CN1CC=CC1 269982a_100015195280_100000188475 [0,0,0,0,1,0|2,0,1]=4 2344 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [0,0,0,0,1,0|1,0,1]=3 2345 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [0,0,0,0,1,0|1,0,1]=3 2346 B11R1.30 CNNC(=O)Cc1ccc[nH]1 22a_100016993582_100000238377 [0,0,0,0,1,0|3,0,0]=4 2347 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [0,0,0,0,1,0|2,0,0]=3 2348 B11R1.30 CNNC(=O)Cc1cccs1 22a_100016993582_100000210189 [0,0,0,0,1,0|2,1,0]=4 2349 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,0,0,0,1,0|3,0,0]=4 2350 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [0,0,0,0,1,0|3,0,0]=4 2351 B11R1.30 N#CCC(=O)Cc1ccco1 1458a_100011217309_100011214920 [0,0,0,0,1,0|2,0,1]=4 2352 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,0,0,0,1,0|3,0,0]=4 2353 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,0,0,0,1,0|2,0,0]=3 2354 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,0,0,0,1,0|2,1,0]=4 2355 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,0,0,0,1,0|3,0,0]=4 2356 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,0,0,0,1,0|2,0,0]=3 2357 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,0,0,0,1,0|2,1,0]=4 2358 B11R1.30 O=C(CCO)Cc1ncco1 1458a_100011216618_103436540062 [0,0,0,0,1,0|3,0,0]=4 2359 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [0,0,0,0,0,1|2,0,1]=4 2360 B13R1.42 CC#CC(=O)CCc1ccccn1 1458a_100000763181_100015183660 [0,0,0,0,0,1|2,0,1]=4 2361 B13R1.42 CC#CC(=O)CCc1cccnc1 1458a_100000763181_200011713674 [0,0,0,0,0,1|2,0,1]=4 2362 B13R1.42 CC#CC(=O)CCc1ccncc1 1458a_100000763181_100000723409 [0,0,0,0,0,1|2,0,1]=4 2363 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,0,0,0,0,1|2,0,1]=4 2364 B13R1.42 CC=CC(=O)CCc1ccccn1 1458a_100000210699_100015183660 [0,0,0,0,0,1|2,0,1]=4 2365 B13R1.42 CC=CC(=O)CCc1cccnc1 1458a_100000210699_200011713674 [0,0,0,0,0,1|2,0,1]=4 2366 B13R1.42 CC=CC(=O)CCc1ccncc1 1458a_100000210699_100000723409 [0,0,0,0,0,1|2,0,1]=4 2367 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,0,0,0,0,1|2,0,0]=3 2368 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,0,0,0,0,1|2,0,0]=3 2369 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [0,0,0,0,0,1|2,0,0]=3 2370 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [0,0,0,0,0,1|2,0,0]=3 2371 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,0,0,0,0,1|2,0,0]=3 2372 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,0,0,0,0,1|2,0,0]=3 2373 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [0,0,0,0,0,1|2,0,0]=3 2374 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [0,0,0,0,0,1|2,0,0]=3 2375 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,0,0,0,0,1|3,0,0]=4 2376 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,0,0,0,0,1|3,0,0]=4 2377 B13R1.42 CCCC(=O)COc1ccccn1 1458a_100102699861_100000210303 [0,0,0,0,0,1|3,0,0]=4 2378 B13R1.42 CCCC(=O)COc1cccnc1 1458a_100015207166_100000210303 [0,0,0,0,0,1|3,0,0]=4 2379 B13R1.42 CCCC(=O)COc1cccnc1 7a_100000210849_100000747444 [0,0,0,0,0,1|3,0,0]=4 2380 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,0,0,0,0,1|3,0,0]=4 2381 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,0,0,0,0,1|3,0,0]=4 2382 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,0,0,0,0,1|3,0,0]=4 2383 B13R1.42 CCCC(=O)CSc1ccccn1 1458a_100000156281_100000210303 [0,0,0,0,0,1|3,0,0]=4 2384 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100000747444_100011216584 [0,0,0,0,0,1|3,0,0]=4 2385 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100011216584_100000747444 [0,0,0,0,0,1|3,0,0]=4 2386 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000210063_100000747444 [0,0,0,0,0,1|3,0,0]=4 2387 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000747444_100000210063 [0,0,0,0,0,1|3,0,0]=4 2388 B13R1.42 CCCC(=O)CSc1cccnn1 62a_100000747444_100016991348 [0,0,0,0,0,1|3,0,0]=4 2389 B13R1.42 CCCC(=O)CSc1cccnn1 62a_100016991348_100000747444 [0,0,0,0,0,1|3,0,0]=4 2390 B13R1.42 CCCC(=O)CSc1ccncc1 1458a_100000211328_100000210303 [0,0,0,0,0,1|3,0,0]=4 2391 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000728582_100000747444 [0,0,0,0,0,1|3,0,0]=4 2392 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000747444_100000728582 [0,0,0,0,0,1|3,0,0]=4 2393 B13R1.42 CCCC(=O)CSc1ccncn1 62a_100000703185_100000747444 [0,0,0,0,0,1|3,0,0]=4 2394 B13R1.42 CCCC(=O)CSc1ccncn1 62a_100000747444_100000703185 [0,0,0,0,0,1|3,0,0]=4 2395 B13R1.42 CCCC(=O)CSc1cnccn1 62a_100000211759_100000747444 [0,0,0,0,0,1|3,0,0]=4 2396 B13R1.42 CCCC(=O)CSc1cnccn1 62a_100000747444_100000211759 [0,0,0,0,0,1|3,0,0]=4 2397 B13R1.42 CCCC(=O)CSc1ncccn1 62a_100000211032_100000747444 [0,0,0,0,0,1|3,0,0]=4 2398 B13R1.42 CCCC(=O)CSc1ncccn1 62a_100000747444_100000211032 [0,0,0,0,0,1|3,0,0]=4 2399 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,0,0,0,0,1|3,0,0]=4 2400 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,0,0,0,0,1|3,0,0]=4 2401 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,0,0,0,0,1|3,0,0]=4 2402 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,0,0,0,0,1|3,0,0]=4 2403 B13R1.42 CCCC(=O)NCc1ccccn1 11a_100000210449_100000211992 [0,0,0,0,0,1|3,0,0]=4 2404 B13R1.42 CCCC(=O)NCc1ccccn1 1626a_100000210449_100000211992 [0,0,0,0,0,1|3,0,0]=4 2405 B13R1.42 CCCC(=O)NCc1ccccn1 240690a_100000210449_100000211992 [0,0,0,0,0,1|3,0,0]=4 2406 B13R1.42 CCCC(=O)NCc1ccccn1 527a_100000210449_100000211992 [0,0,0,0,0,1|3,0,0]=4 2407 B13R1.42 CCCC(=O)NCc1cccnc1 11a_100000210453_100000211992 [0,0,0,0,0,1|3,0,0]=4 2408 B13R1.42 CCCC(=O)NCc1cccnc1 240690a_100000210453_100000211992 [0,0,0,0,0,1|3,0,0]=4 2409 B13R1.42 CCCC(=O)NCc1cccnc1 527a_100000210453_100000211992 [0,0,0,0,0,1|3,0,0]=4 2410 B13R1.42 CCCC(=O)NCc1cccnn1 11a_100159270163_100000211992 [0,0,0,0,0,1|3,0,0]=4 2411 B13R1.42 CCCC(=O)NCc1cccnn1 240690a_100159270163_100000211992 [0,0,0,0,0,1|3,0,0]=4 2412 B13R1.42 CCCC(=O)NCc1cccnn1 527a_100159270163_100000211992 [0,0,0,0,0,1|3,0,0]=4 2413 B13R1.42 CCCC(=O)NCc1ccncc1 11a_100000210450_100000211992 [0,0,0,0,0,1|3,0,0]=4 2414 B13R1.42 CCCC(=O)NCc1ccncc1 1626a_100000210450_100000211992 [0,0,0,0,0,1|3,0,0]=4 2415 B13R1.42 CCCC(=O)NCc1ccncc1 240690a_100000210450_100000211992 [0,0,0,0,0,1|3,0,0]=4 2416 B13R1.42 CCCC(=O)NCc1ccncc1 527a_100000210450_100000211992 [0,0,0,0,0,1|3,0,0]=4 2417 B13R1.42 CCCC(=O)NCc1ccncn1 11a_100000736019_100000211992 [0,0,0,0,0,1|3,0,0]=4 2418 B13R1.42 CCCC(=O)NCc1ccncn1 240690a_100000736019_100000211992 [0,0,0,0,0,1|3,0,0]=4 2419 B13R1.42 CCCC(=O)NCc1ccncn1 527a_100000736019_100000211992 [0,0,0,0,0,1|3,0,0]=4 2420 B13R1.42 CCCC(=O)NCc1cnccn1 11a_100000737960_100000211992 [0,0,0,0,0,1|3,0,0]=4 2421 B13R1.42 CCCC(=O)NCc1cnccn1 240690a_100000737960_100000211992 [0,0,0,0,0,1|3,0,0]=4 2422 B13R1.42 CCCC(=O)NCc1cnccn1 527a_100000737960_100000211992 [0,0,0,0,0,1|3,0,0]=4 2423 B13R1.42 CCCC(=O)NCc1ncccn1 11a_100015189908_100000211992 [0,0,0,0,0,1|3,0,0]=4 2424 B13R1.42 CCCC(=O)NCc1ncccn1 240690a_100015189908_100000211992 [0,0,0,0,0,1|3,0,0]=4 2425 B13R1.42 CCCC(=O)NCc1ncccn1 527a_100015189908_100000211992 [0,0,0,0,0,1|3,0,0]=4 2426 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,0,0,0,0,1|2,0,0]=3 2427 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,0,0,0,0,1|2,0,0]=3 2428 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,0,0,0,0,1|2,0,0]=3 2429 B13R1.42 CCNC(=O)CCc1ccccn1 11a_100015525214_100015195070 [0,0,0,0,0,1|2,0,0]=3 2430 B13R1.42 CCNC(=O)CCc1ccccn1 240690a_100015525214_100015195070 [0,0,0,0,0,1|2,0,0]=3 2431 B13R1.42 CCNC(=O)CCc1ccccn1 527a_100015525214_100015195070 [0,0,0,0,0,1|2,0,0]=3 2432 B13R1.42 CCNC(=O)CCc1cccnc1 11a_100015525214_100000198484 [0,0,0,0,0,1|2,0,0]=3 2433 B13R1.42 CCNC(=O)CCc1cccnc1 240690a_100015525214_100000198484 [0,0,0,0,0,1|2,0,0]=3 2434 B13R1.42 CCNC(=O)CCc1cccnc1 527a_100015525214_100000198484 [0,0,0,0,0,1|2,0,0]=3 2435 B13R1.42 CCNC(=O)CCc1ccncc1 11a_100015525214_100011225043 [0,0,0,0,0,1|2,0,0]=3 2436 B13R1.42 CCNC(=O)CCc1ccncc1 240690a_100015525214_100011225043 [0,0,0,0,0,1|2,0,0]=3 2437 B13R1.42 CCNC(=O)CCc1ccncc1 527a_100015525214_100011225043 [0,0,0,0,0,1|2,0,0]=3 2438 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [0,0,0,0,0,1|3,0,0]=4 2439 B13R1.42 CCNC(=O)CNc1cccnn1 27a_100016988866_100016991348 [0,0,0,0,0,1|3,0,0]=4 2440 B13R1.42 CCNC(=O)CNc1ccncn1 27a_100016988866_100000703185 [0,0,0,0,0,1|3,0,0]=4 2441 B13R1.42 CCNC(=O)CNc1cnccn1 27a_100016988866_100000211759 [0,0,0,0,0,1|3,0,0]=4 2442 B13R1.42 CCNC(=O)CNc1ncccn1 27a_100016988866_100000211032 [0,0,0,0,0,1|3,0,0]=4 2443 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,0,0,0,0,1|3,0,0]=4 2444 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,0,0,0,0,1|3,0,0]=4 2445 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,0,0,0,0,1|3,0,0]=4 2446 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,0,0,0,0,1|3,0,0]=4 2447 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,0,0,0,0,1|3,0,0]=4 2448 B13R1.42 CCNC(=O)COc1ccccn1 240690a_100015525214_100102699861 [0,0,0,0,0,1|3,0,0]=4 2449 B13R1.42 CCNC(=O)COc1ccccn1 527a_100015525214_100102699861 [0,0,0,0,0,1|3,0,0]=4 2450 B13R1.42 CCNC(=O)COc1cccnc1 11a_100015525214_100015207166 [0,0,0,0,0,1|3,0,0]=4 2451 B13R1.42 CCNC(=O)COc1cccnc1 240690a_100015525214_100015207166 [0,0,0,0,0,1|3,0,0]=4 2452 B13R1.42 CCNC(=O)COc1cccnc1 34a_100000210849_100000183381 [0,0,0,0,0,1|3,0,0]=4 2453 B13R1.42 CCNC(=O)COc1cccnc1 527a_100015525214_100015207166 [0,0,0,0,0,1|3,0,0]=4 2454 B13R1.42 CCNC(=O)COc1cccnc1 7a_100000210849_100000183381 [0,0,0,0,0,1|3,0,0]=4 2455 B13R1.42 CCNC(=O)COc1ccncc1 34a_100000212176_100000183381 [0,0,0,0,0,1|3,0,0]=4 2456 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [0,0,0,0,0,1|3,0,0]=4 2457 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [0,0,0,0,0,1|3,0,0]=4 2458 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [0,0,0,0,0,1|3,0,0]=4 2459 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [0,0,0,0,0,1|3,0,0]=4 2460 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [0,0,0,0,0,1|3,0,0]=4 2461 B13R1.42 CCNC(=O)CSc1ccccn1 11a_100015525214_100000156281 [0,0,0,0,0,1|3,0,0]=4 2462 B13R1.42 CCNC(=O)CSc1ccccn1 240690a_100015525214_100000156281 [0,0,0,0,0,1|3,0,0]=4 2463 B13R1.42 CCNC(=O)CSc1ccccn1 527a_100015525214_100000156281 [0,0,0,0,0,1|3,0,0]=4 2464 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100000183381_100011216584 [0,0,0,0,0,1|3,0,0]=4 2465 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100011216584_100000183381 [0,0,0,0,0,1|3,0,0]=4 2466 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000183381_100000210063 [0,0,0,0,0,1|3,0,0]=4 2467 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000210063_100000183381 [0,0,0,0,0,1|3,0,0]=4 2468 B13R1.42 CCNC(=O)CSc1cccnn1 62a_100000183381_100016991348 [0,0,0,0,0,1|3,0,0]=4 2469 B13R1.42 CCNC(=O)CSc1cccnn1 62a_100016991348_100000183381 [0,0,0,0,0,1|3,0,0]=4 2470 B13R1.42 CCNC(=O)CSc1ccncc1 11a_100015525214_100000211328 [0,0,0,0,0,1|3,0,0]=4 2471 B13R1.42 CCNC(=O)CSc1ccncc1 240690a_100015525214_100000211328 [0,0,0,0,0,1|3,0,0]=4 2472 B13R1.42 CCNC(=O)CSc1ccncc1 527a_100015525214_100000211328 [0,0,0,0,0,1|3,0,0]=4 2473 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000183381_100000728582 [0,0,0,0,0,1|3,0,0]=4 2474 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000728582_100000183381 [0,0,0,0,0,1|3,0,0]=4 2475 B13R1.42 CCNC(=O)CSc1ccncn1 62a_100000183381_100000703185 [0,0,0,0,0,1|3,0,0]=4 2476 B13R1.42 CCNC(=O)CSc1ccncn1 62a_100000703185_100000183381 [0,0,0,0,0,1|3,0,0]=4 2477 B13R1.42 CCNC(=O)CSc1cnccn1 62a_100000183381_100000211759 [0,0,0,0,0,1|3,0,0]=4 2478 B13R1.42 CCNC(=O)CSc1cnccn1 62a_100000211759_100000183381 [0,0,0,0,0,1|3,0,0]=4 2479 B13R1.42 CCNC(=O)CSc1ncccn1 240690a_100015525214_200000156282 [0,0,0,0,0,1|3,0,0]=4 2480 B13R1.42 CCNC(=O)CSc1ncccn1 62a_100000183381_100000211032 [0,0,0,0,0,1|3,0,0]=4 2481 B13R1.42 CCNC(=O)CSc1ncccn1 62a_100000211032_100000183381 [0,0,0,0,0,1|3,0,0]=4 2482 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [0,0,0,0,0,1|3,0,0]=4 2483 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [0,0,0,0,0,1|3,0,0]=4 2484 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [0,0,0,0,0,1|3,0,0]=4 2485 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [0,0,0,0,0,1|3,0,0]=4 2486 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [0,0,0,0,0,1|3,0,0]=4 2487 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [0,0,0,0,0,1|3,0,0]=4 2488 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100000210449_100015525214 [0,0,0,0,0,1|3,0,0]=4 2489 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100015525214_100000210449 [0,0,0,0,0,1|3,0,0]=4 2490 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100000210449_100015525214 [0,0,0,0,0,1|3,0,0]=4 2491 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100015525214_100000210449 [0,0,0,0,0,1|3,0,0]=4 2492 B13R1.42 CCNC(=O)NCc1ccccn1 512a_100015525214_100000210449 [0,0,0,0,0,1|3,0,0]=4 2493 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100000210453_100015525214 [0,0,0,0,0,1|3,0,0]=4 2494 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100015525214_100000210453 [0,0,0,0,0,1|3,0,0]=4 2495 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100000210453_100015525214 [0,0,0,0,0,1|3,0,0]=4 2496 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100015525214_100000210453 [0,0,0,0,0,1|3,0,0]=4 2497 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100000210453_100015525214 [0,0,0,0,0,1|3,0,0]=4 2498 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100015525214_100000210453 [0,0,0,0,0,1|3,0,0]=4 2499 B13R1.42 CCNC(=O)NCc1cccnn1 2708a_100015525214_100159270163 [0,0,0,0,0,1|3,0,0]=4 2500 B13R1.42 CCNC(=O)NCc1cccnn1 2708a_100159270163_100015525214 [0,0,0,0,0,1|3,0,0]=4 2501 B13R1.42 CCNC(=O)NCc1cccnn1 273464a_100015525214_100159270163 [0,0,0,0,0,1|3,0,0]=4 2502 B13R1.42 CCNC(=O)NCc1cccnn1 273464a_100159270163_100015525214 [0,0,0,0,0,1|3,0,0]=4 2503 B13R1.42 CCNC(=O)NCc1cccnn1 512a_100015525214_100159270163 [0,0,0,0,0,1|3,0,0]=4 2504 B13R1.42 CCNC(=O)NCc1cccnn1 512a_100159270163_100015525214 [0,0,0,0,0,1|3,0,0]=4 2505 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100000210450_100015525214 [0,0,0,0,0,1|3,0,0]=4 2506 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100015525214_100000210450 [0,0,0,0,0,1|3,0,0]=4 2507 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100000210450_100015525214 [0,0,0,0,0,1|3,0,0]=4 2508 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100015525214_100000210450 [0,0,0,0,0,1|3,0,0]=4 2509 B13R1.42 CCNC(=O)NCc1ccncc1 512a_100015525214_100000210450 [0,0,0,0,0,1|3,0,0]=4 2510 B13R1.42 CCNC(=O)NCc1ccncn1 2708a_100015525214_100000736019 [0,0,0,0,0,1|3,0,0]=4 2511 B13R1.42 CCNC(=O)NCc1ccncn1 273464a_100015525214_100000736019 [0,0,0,0,0,1|3,0,0]=4 2512 B13R1.42 CCNC(=O)NCc1ccncn1 512a_100000736019_100015525214 [0,0,0,0,0,1|3,0,0]=4 2513 B13R1.42 CCNC(=O)NCc1ccncn1 512a_100015525214_100000736019 [0,0,0,0,0,1|3,0,0]=4 2514 B13R1.42 CCNC(=O)NCc1cnccn1 2708a_100000737960_100015525214 [0,0,0,0,0,1|3,0,0]=4 2515 B13R1.42 CCNC(=O)NCc1cnccn1 2708a_100015525214_100000737960 [0,0,0,0,0,1|3,0,0]=4 2516 B13R1.42 CCNC(=O)NCc1cnccn1 273464a_100000737960_100015525214 [0,0,0,0,0,1|3,0,0]=4 2517 B13R1.42 CCNC(=O)NCc1cnccn1 273464a_100015525214_100000737960 [0,0,0,0,0,1|3,0,0]=4 2518 B13R1.42 CCNC(=O)NCc1cnccn1 512a_100000737960_100015525214 [0,0,0,0,0,1|3,0,0]=4 2519 B13R1.42 CCNC(=O)NCc1cnccn1 512a_100015525214_100000737960 [0,0,0,0,0,1|3,0,0]=4 2520 B13R1.42 CCNC(=O)NCc1ncccn1 2708a_100015189908_100015525214 [0,0,0,0,0,1|3,0,0]=4 2521 B13R1.42 CCNC(=O)NCc1ncccn1 2708a_100015525214_100015189908 [0,0,0,0,0,1|3,0,0]=4 2522 B13R1.42 CCNC(=O)NCc1ncccn1 273464a_100015189908_100015525214 [0,0,0,0,0,1|3,0,0]=4 2523 B13R1.42 CCNC(=O)NCc1ncccn1 273464a_100015525214_100015189908 [0,0,0,0,0,1|3,0,0]=4 2524 B13R1.42 CCNC(=O)NCc1ncccn1 512a_100015189908_100015525214 [0,0,0,0,0,1|3,0,0]=4 2525 B13R1.42 CCNC(=O)NCc1ncccn1 512a_100015525214_100015189908 [0,0,0,0,0,1|3,0,0]=4 2526 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,0,0,0,0,1|1,0,2]=4 2527 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [0,0,0,0,0,1|1,0,2]=4 2528 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [0,0,0,0,0,1|1,0,2]=4 2529 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [0,0,0,0,0,1|1,0,2]=4 2530 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [0,0,0,0,0,1|1,0,2]=4 2531 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [0,0,0,0,0,1|1,0,2]=4 2532 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [0,0,0,0,0,1|1,0,2]=4 2533 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [0,0,0,0,0,1|1,0,2]=4 2534 B13R1.42 CCOC(=O)CCN1CC=CCC1 2230a_100000698166_100011206558 [0,0,0,0,0,1|2,0,1]=4 2535 B13R1.42 CCOC(=O)CCN1CC=CCC1 269982a_100000698166_100011206558 [0,0,0,0,0,1|2,0,1]=4 2536 B13R1.42 CCOC(=O)CCN1CC=CCC1 34a_100000698166_100000765890 [0,0,0,0,0,1|2,0,1]=4 2537 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,0,0,0,0,1|2,0,0]=3 2538 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,0,0,0,0,1|2,0,0]=3 2539 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,0,0,0,0,1|2,0,0]=3 2540 B13R1.42 CCOC(=O)COc1cccnc1 34a_100000210849_100000188475 [0,0,0,0,0,1|2,0,0]=3 2541 B13R1.42 CCOC(=O)COc1cccnc1 7a_100000210849_100000188475 [0,0,0,0,0,1|2,0,0]=3 2542 B13R1.42 CCOC(=O)COc1ccncc1 34a_100000212176_100000188475 [0,0,0,0,0,1|2,0,0]=3 2543 B13R1.42 CCOC(=O)COc1ccnnc1 34a_100015204005_100000188475 [0,0,0,0,0,1|3,0,0]=4 2544 B13R1.42 CCOC(=O)COc1cncnc1 7a_100000754086_100000188475 [0,0,0,0,0,1|3,0,0]=4 2545 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,0,0,0,0,1|2,0,0]=3 2546 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,0,0,0,0,1|2,0,0]=3 2547 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100000188475_100011216584 [0,0,0,0,0,1|2,0,0]=3 2548 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100011216584_100000188475 [0,0,0,0,0,1|2,0,0]=3 2549 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000188475_100000210063 [0,0,0,0,0,1|2,0,0]=3 2550 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000210063_100000188475 [0,0,0,0,0,1|2,0,0]=3 2551 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100000188475_100016991348 [0,0,0,0,0,1|2,0,0]=3 2552 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100016991348_100000188475 [0,0,0,0,0,1|2,0,0]=3 2553 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000188475_100000728582 [0,0,0,0,0,1|2,0,0]=3 2554 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000728582_100000188475 [0,0,0,0,0,1|2,0,0]=3 2555 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000188475_100000703185 [0,0,0,0,0,1|2,0,0]=3 2556 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000703185_100000188475 [0,0,0,0,0,1|2,0,0]=3 2557 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000188475_100000732662 [0,0,0,0,0,1|3,0,0]=4 2558 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000732662_100000188475 [0,0,0,0,0,1|3,0,0]=4 2559 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000188475_100000211759 [0,0,0,0,0,1|2,0,0]=3 2560 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000211759_100000188475 [0,0,0,0,0,1|2,0,0]=3 2561 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100000188475_100011206942 [0,0,0,0,0,1|3,0,0]=4 2562 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100011206942_100000188475 [0,0,0,0,0,1|3,0,0]=4 2563 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000188475_100000211032 [0,0,0,0,0,1|2,0,0]=3 2564 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000211032_100000188475 [0,0,0,0,0,1|2,0,0]=3 2565 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,0,0,0,0,1|2,0,1]=4 2566 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,0,0,0,0,1|2,0,1]=4 2567 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,0,0,0,0,1|3,0,0]=4 2568 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,0,0,0,0,1|3,0,0]=4 2569 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,0,0,0,0,1|3,0,0]=4 2570 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,0,0,0,0,1|3,0,0]=4 2571 B13R1.42 CNNC(=O)CCc1ccccn1 22a_100016993582_100015195070 [0,0,0,0,0,1|3,0,0]=4 2572 B13R1.42 CNNC(=O)CCc1cccnc1 22a_100016993582_100000198484 [0,0,0,0,0,1|3,0,0]=4 2573 B13R1.42 CNNC(=O)CCc1ccncc1 22a_100016993582_100011225043 [0,0,0,0,0,1|3,0,0]=4 2574 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,0,0,0,0,1|3,0,0]=4 2575 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,0,0,0,0,1|3,0,0]=4 2576 B13R1.42 COCC(=O)CCc1ccccn1 1458a_100000210968_100015183660 [0,0,0,0,0,1|3,0,0]=4 2577 B13R1.42 COCC(=O)CCc1cccnc1 1458a_100000210968_200011713674 [0,0,0,0,0,1|3,0,0]=4 2578 B13R1.42 COCC(=O)CCc1ccncc1 1458a_100000210968_100000723409 [0,0,0,0,0,1|3,0,0]=4 2579 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,0,0,0,0,1|3,0,0]=4 2580 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,0,0,0,0,1|3,0,0]=4 2581 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,0,0,0,0,1|3,0,0]=4 2582 B13R1.42 CSCC(=O)CCc1ccccn1 1458a_100000184570_100015183660 [0,0,0,0,0,1|3,0,0]=4 2583 B13R1.42 CSCC(=O)CCc1cccnc1 1458a_100000184570_200011713674 [0,0,0,0,0,1|3,0,0]=4 2584 B13R1.42 CSCC(=O)CCc1ccncc1 1458a_100000184570_100000723409 [0,0,0,0,0,1|3,0,0]=4 2585 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,0,0,0,0,1|3,0,0]=4 2586 B13R1.42 O=C(CCF)CCc1ccccn1 1458a_100015195070_100011217306 [0,0,0,0,0,1|3,0,0]=4 2587 B13R1.42 O=C(CCF)CCc1cccnc1 1458a_100000198484_100011217306 [0,0,0,0,0,1|3,0,0]=4 2588 B13R1.42 O=C(CCF)CCc1ccncc1 1458a_100011225043_100011217306 [0,0,0,0,0,1|3,0,0]=4 2589 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,0,0,0,0,1|3,0,0]=4 2590 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,0,0,0,0,1|3,0,0]=4 2591 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100011216618_100015183660 [0,0,0,0,0,1|3,0,0]=4 2592 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100015195070_100000211926 [0,0,0,0,0,1|3,0,0]=4 2593 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100000198484_100000211926 [0,0,0,0,0,1|3,0,0]=4 2594 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100011216618_200011713674 [0,0,0,0,0,1|3,0,0]=4 2595 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011216618_100000723409 [0,0,0,0,0,1|3,0,0]=4 2596 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011225043_100000211926 [0,0,0,0,0,1|3,0,0]=4 2597 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,0,0,0,0,1|3,0,0]=4 2598 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,0,0,0,0,1|3,0,0]=4 2599 B13R1.404 C#CCC(=O)NCCc1ccco1 1626a_100000694680_100011220946 [0,0,0,0,0,1|1,0,2]=4 2600 B13R1.404 C#CCC(=O)NCCc1ccco1 527a_100000694680_100011220946 [0,0,0,0,0,1|1,0,2]=4 2601 B13R1.404 C=CCC(=O)NCCc1ccco1 11a_100000694680_100000210193 [0,0,0,0,0,1|1,0,2]=4 2602 B13R1.404 C=CCC(=O)NCCc1ccco1 1626a_100000694680_100000210193 [0,0,0,0,0,1|1,0,2]=4 2603 B13R1.404 C=CCC(=O)NCCc1ccco1 240690a_100000694680_100000210193 [0,0,0,0,0,1|1,0,2]=4 2604 B13R1.404 C=CCC(=O)NCCc1ccco1 527a_100000694680_100000210193 [0,0,0,0,0,1|1,0,2]=4 2605 B13R1.404 C=COC(=O)CNCc1ccco1 2230a_100000185738_100000036128 [0,0,0,0,0,1|0,0,2]=3 2606 B13R1.404 C=COC(=O)CNCc1ccco1 34a_100000185738_100000036128 [0,0,0,0,0,1|0,0,2]=3 2607 B13R1.404 C=COC(=O)CNCc1cccs1 2230a_100000211653_100000036128 [0,0,0,0,0,1|0,1,2]=4 2608 B13R1.404 C=COC(=O)CNCc1ncco1 2230a_100016994969_100000036128 [0,0,0,0,0,1|1,0,2]=4 2609 B13R1.404 C=COC(=O)COCc1ccco1 34a_100000210059_100000036128 [0,0,0,0,0,1|0,0,2]=3 2610 B13R1.404 C=COC(=O)COCc1cccs1 34a_100000211240_100000036128 [0,0,0,0,0,1|0,1,2]=4 2611 B13R1.404 C=COC(=O)COCc1ccno1 34a_100000740478_100000036128 [0,0,0,0,0,1|1,0,2]=4 2612 B13R1.404 C=COC(=O)COCc1ncco1 34a_100000062594_100000036128 [0,0,0,0,0,1|1,0,2]=4 2613 B13R1.404 C=COC(=O)CSCc1ncco1 62a_100000036128_103436540062 [0,0,0,0,0,1|1,0,2]=4 2614 B13R1.404 C=COC(=O)CSCc1ncco1 62a_103436540062_100000036128 [0,0,0,0,0,1|1,0,2]=4 2615 B13R1.404 CC#CC(=O)CCCc1cccs1 1458a_100000763181_100010992444 [0,0,0,0,0,1|1,1,1]=4 2616 B13R1.404 CC=CC(=O)CCCc1cccs1 1458a_100000210699_100010992444 [0,0,0,0,0,1|1,1,1]=4 2617 B13R1.404 CC=CC(=O)NCCc1ccco1 11a_100000694680_100000210699 [0,0,0,0,0,1|1,0,1]=3 2618 B13R1.404 CC=CC(=O)NCCc1ccco1 1626a_100000694680_100000210699 [0,0,0,0,0,1|1,0,1]=3 2619 B13R1.404 CC=CC(=O)NCCc1ccco1 240690a_100000694680_100000210699 [0,0,0,0,0,1|1,0,1]=3 2620 B13R1.404 CC=CC(=O)NCCc1cccs1 11a_100000203755_100000210699 [0,0,0,0,0,1|1,1,1]=4 2621 B13R1.404 CC=CC(=O)NCCc1cccs1 1626a_100000203755_100000210699 [0,0,0,0,0,1|1,1,1]=4 2622 B13R1.404 CC=CC(=O)NCCc1cccs1 240690a_100000203755_100000210699 [0,0,0,0,0,1|1,1,1]=4 2623 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000184482_100000210303 [0,0,0,0,0,1|1,1,0]=3 2624 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000211992_100010992444 [0,0,0,0,0,1|1,1,0]=3 2625 B13R1.404 CCCC(=O)CCCn1cccc1 1458a_100000211992_200009814367 [0,0,0,0,0,1|3,0,0]=4 2626 B13R1.404 CCCC(=O)CCCn1cccc1 1458a_100000691410_100000210303 [0,0,0,0,0,1|3,0,0]=4 2627 B13R1.404 CCCC(=O)CCCn1cccn1 1458a_100000211992_100000739983 [0,0,0,0,0,1|3,0,0]=4 2628 B13R1.404 CCCC(=O)CCCn1cccn1 1458a_100000742828_100000210303 [0,0,0,0,0,1|3,0,0]=4 2629 B13R1.404 CCCC(=O)CNCc1ccco1 2230a_100000185738_100000747444 [0,0,0,0,0,1|1,0,0]=2 2630 B13R1.404 CCCC(=O)CNCc1cccs1 2230a_100000211653_100000747444 [0,0,0,0,0,1|1,1,0]=3 2631 B13R1.404 CCCC(=O)CNCc1ccoc1 2230a_100015206860_100000747444 [0,0,0,0,0,1|3,0,0]=4 2632 B13R1.404 CCCC(=O)CNCc1ccsc1 2230a_100000186416_100000747444 [0,0,0,0,0,1|3,0,0]=4 2633 B13R1.404 CCCC(=O)CNCc1cncs1 2230a_100016987365_100000747444 [0,0,0,0,0,1|2,1,0]=4 2634 B13R1.404 CCCC(=O)CNCc1cscn1 2230a_100015185402_100000747444 [0,0,0,0,0,1|3,0,0]=4 2635 B13R1.404 CCCC(=O)CNCc1ncco1 2230a_100016994969_100000747444 [0,0,0,0,0,1|2,0,0]=3 2636 B13R1.404 CCCC(=O)CNCc1nccs1 2230a_100000740555_100000747444 [0,0,0,0,0,1|2,1,0]=4 2637 B13R1.404 CCCC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747444 [0,0,0,0,0,1|3,0,0]=4 2638 B13R1.404 CCCC(=O)CSCc1c[nH]cn1 62a_100000747444_100000707719 [0,0,0,0,0,1|3,0,0]=4 2639 B13R1.404 CCCC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747444 [0,0,0,0,0,1|3,0,0]=4 2640 B13R1.404 CCCC(=O)CSCc1ccn[nH]1 62a_100000747444_100000728653 [0,0,0,0,0,1|3,0,0]=4 2641 B13R1.404 CCCC(=O)CSCc1ccon1 62a_100000234950_100000747444 [0,0,0,0,0,1|3,0,0]=4 2642 B13R1.404 CCCC(=O)CSCc1ccon1 62a_100000747444_100000234950 [0,0,0,0,0,1|3,0,0]=4 2643 B13R1.404 CCCC(=O)CSCc1ccsc1 62a_100000747444_100011233845 [0,0,0,0,0,1|3,0,0]=4 2644 B13R1.404 CCCC(=O)CSCc1ccsc1 62a_100011261437_100000747444 [0,0,0,0,0,1|3,0,0]=4 2645 B13R1.404 CCCC(=O)CSCc1cncs1 62a_100000747444_100015185245 [0,0,0,0,0,1|2,1,0]=4 2646 B13R1.404 CCCC(=O)CSCc1cncs1 62a_100015185245_100000747444 [0,0,0,0,0,1|2,1,0]=4 2647 B13R1.404 CCCC(=O)CSCc1cscn1 62a_100000205941_100000747444 [0,0,0,0,0,1|3,0,0]=4 2648 B13R1.404 CCCC(=O)CSCc1cscn1 62a_100000747444_100000205941 [0,0,0,0,0,1|3,0,0]=4 2649 B13R1.404 CCCC(=O)CSCc1ncc[nH]1 62a_100000747444_100016991755 [0,0,0,0,0,1|3,0,0]=4 2650 B13R1.404 CCCC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747444 [0,0,0,0,0,1|3,0,0]=4 2651 B13R1.404 CCCC(=O)CSCc1ncco1 62a_100000747444_103436540062 [0,0,0,0,0,1|2,0,0]=3 2652 B13R1.404 CCCC(=O)CSCc1ncco1 62a_103436540062_100000747444 [0,0,0,0,0,1|2,0,0]=3 2653 B13R1.404 CCCC(=O)CSCc1nccs1 62a_100000747444_100015184050 [0,0,0,0,0,1|2,1,0]=4 2654 B13R1.404 CCCC(=O)CSCc1nccs1 62a_100015184050_100000747444 [0,0,0,0,0,1|2,1,0]=4 2655 B13R1.404 CCCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000211992 [0,0,0,0,0,1|3,0,0]=4 2656 B13R1.404 CCCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000211992 [0,0,0,0,0,1|3,0,0]=4 2657 B13R1.404 CCCC(=O)NCCc1ccco1 11a_100000694680_100000211992 [0,0,0,0,0,1|1,0,0]=2 2658 B13R1.404 CCCC(=O)NCCc1ccco1 1626a_100000694680_100000211992 [0,0,0,0,0,1|1,0,0]=2 2659 B13R1.404 CCCC(=O)NCCc1ccco1 240690a_100000694680_100000211992 [0,0,0,0,0,1|1,0,0]=2 2660 B13R1.404 CCCC(=O)NCCc1ccco1 527a_100000694680_100000211992 [0,0,0,0,0,1|1,0,0]=2 2661 B13R1.404 CCCC(=O)NCCc1cccs1 11a_100000203755_100000211992 [0,0,0,0,0,1|1,1,0]=3 2662 B13R1.404 CCCC(=O)NCCc1cccs1 1626a_100000203755_100000211992 [0,0,0,0,0,1|1,1,0]=3 2663 B13R1.404 CCCC(=O)NCCc1cccs1 240690a_100000203755_100000211992 [0,0,0,0,0,1|1,1,0]=3 2664 B13R1.404 CCCC(=O)NCCc1cccs1 527a_100000203755_100000211992 [0,0,0,0,0,1|1,1,0]=3 2665 B13R1.404 CCCC(=O)NCCc1ccsc1 11a_100000692642_100000211992 [0,0,0,0,0,1|3,0,0]=4 2666 B13R1.404 CCCC(=O)NCCc1ccsc1 1626a_100000692642_100000211992 [0,0,0,0,0,1|3,0,0]=4 2667 B13R1.404 CCCC(=O)NCCc1ccsc1 240690a_100000692642_100000211992 [0,0,0,0,0,1|3,0,0]=4 2668 B13R1.404 CCCC(=O)NCCc1ccsc1 527a_100000692642_100000211992 [0,0,0,0,0,1|3,0,0]=4 2669 B13R1.404 CCCC(=O)NCCc1cncs1 11a_100016991637_100000211992 [0,0,0,0,0,1|2,1,0]=4 2670 B13R1.404 CCCC(=O)NCCc1cncs1 1626a_100016991637_100000211992 [0,0,0,0,0,1|2,1,0]=4 2671 B13R1.404 CCCC(=O)NCCc1cncs1 240690a_100016991637_100000211992 [0,0,0,0,0,1|2,1,0]=4 2672 B13R1.404 CCCC(=O)NCCc1cncs1 527a_100016991637_100000211992 [0,0,0,0,0,1|2,1,0]=4 2673 B13R1.404 CCCC(=O)NCCc1ncc[nH]1 11a_100000754300_100000211992 [0,0,0,0,0,1|3,0,0]=4 2674 B13R1.404 CCCC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000211992 [0,0,0,0,0,1|3,0,0]=4 2675 B13R1.404 CCCC(=O)NCCc1ncc[nH]1 527a_100000754300_100000211992 [0,0,0,0,0,1|3,0,0]=4 2676 B13R1.404 CCCC(=O)NCCc1nccs1 11a_100015186391_100000211992 [0,0,0,0,0,1|2,1,0]=4 2677 B13R1.404 CCCC(=O)NCCc1nccs1 1626a_100015186391_100000211992 [0,0,0,0,0,1|2,1,0]=4 2678 B13R1.404 CCCC(=O)NCCc1nccs1 240690a_100015186391_100000211992 [0,0,0,0,0,1|2,1,0]=4 2679 B13R1.404 CCCC(=O)NCCc1nccs1 527a_100015186391_100000211992 [0,0,0,0,0,1|2,1,0]=4 2680 B13R1.404 CCCC(=O)NCCn1cccc1 11a_100011368172_100000211992 [0,0,0,0,0,1|3,0,0]=4 2681 B13R1.404 CCCC(=O)NCCn1cccc1 240690a_100011368172_100000211992 [0,0,0,0,0,1|3,0,0]=4 2682 B13R1.404 CCCC(=O)NCCn1cccc1 527a_100011368172_100000211992 [0,0,0,0,0,1|3,0,0]=4 2683 B13R1.404 CCCC(=O)NCCn1cccn1 11a_100011200920_100000211992 [0,0,0,0,0,1|3,0,0]=4 2684 B13R1.404 CCCC(=O)NCCn1cccn1 240690a_100011200920_100000211992 [0,0,0,0,0,1|3,0,0]=4 2685 B13R1.404 CCCC(=O)NCCn1cccn1 527a_100011200920_100000211992 [0,0,0,0,0,1|3,0,0]=4 2686 B13R1.404 CCCC(=O)NN=Cc1ccco1 4a_100000189770_100000186105 [0,0,0,0,0,1|2,0,1]=4 2687 B13R1.404 CCCC(=O)OCSc1ccco1 62a_100009814098_100000034017 [0,0,0,0,0,1|2,0,0]=3 2688 B13R1.404 CCCC(=O)OCSc1cccs1 62a_100011215356_100000034017 [0,0,0,0,0,1|2,1,0]=4 2689 B13R1.404 CCCC(=O)OCSc1cnco1 62a_100020591547_100000034017 [0,0,0,0,0,1|3,0,0]=4 2690 B13R1.404 CCCC(=O)OCSc1ncco1 62a_100011787736_100000034017 [0,0,0,0,0,1|3,0,0]=4 2691 B13R1.404 CCCC(C)CNCc1ccco1 2230a_100000185738_100011216630 [0,0,0,0,0,1|2,0,1]=4 2692 B13R1.404 CCCC(C)CNCc1ccco1 270004a_100000185738_100000243154 [0,0,0,0,0,1|2,0,1]=4 2693 B13R1.404 CCCC(C)CNCc1ccco1 34a_100000185738_100011216630 [0,0,0,0,0,1|2,0,1]=4 2694 B13R1.404 CCCC(C)COCc1ccco1 34a_100000210059_100011216630 [0,0,0,0,0,1|2,0,1]=4 2695 B13R1.404 CCCC(C)NCCc1ccco1 2230a_100000694680_100000766640 [0,0,0,0,0,1|2,0,1]=4 2696 B13R1.404 CCCC(C)NCCc1ccco1 270004a_100000694680_100000211909 [0,0,0,0,0,1|2,0,1]=4 2697 B13R1.404 CCCC(C)NCCc1ccco1 34a_100000694680_100000766640 [0,0,0,0,0,1|2,0,1]=4 2698 B13R1.404 CCNC(=O)CCCc1cccs1 11a_100015525214_100000184482 [0,0,0,0,0,1|1,1,0]=3 2699 B13R1.404 CCNC(=O)CCCc1cccs1 240690a_100015525214_100000184482 [0,0,0,0,0,1|1,1,0]=3 2700 B13R1.404 CCNC(=O)CCCc1cccs1 527a_100015525214_100000184482 [0,0,0,0,0,1|1,1,0]=3 2701 B13R1.404 CCNC(=O)CCCn1cccc1 11a_100015525214_100000691410 [0,0,0,0,0,1|3,0,0]=4 2702 B13R1.404 CCNC(=O)CCCn1cccc1 527a_100015525214_100000691410 [0,0,0,0,0,1|3,0,0]=4 2703 B13R1.404 CCNC(=O)CCCn1cccn1 11a_100015525214_100000742828 [0,0,0,0,0,1|3,0,0]=4 2704 B13R1.404 CCNC(=O)CCCn1cccn1 240690a_100015525214_100000742828 [0,0,0,0,0,1|3,0,0]=4 2705 B13R1.404 CCNC(=O)CCCn1cccn1 527a_100015525214_100000742828 [0,0,0,0,0,1|3,0,0]=4 2706 B13R1.404 CCNC(=O)CCOc1ccsc1 7a_100000106738_100000737597 [0,0,0,0,0,1|3,0,0]=4 2707 B13R1.404 CCNC(=O)CCSc1c[nH]cn1 62a_100000737597_100000756875 [0,0,0,0,0,1|3,0,0]=4 2708 B13R1.404 CCNC(=O)CCSc1c[nH]cn1 62a_100000756875_100000737597 [0,0,0,0,0,1|3,0,0]=4 2709 B13R1.404 CCNC(=O)CCSc1cc[nH]n1 62a_100000062575_100000737597 [0,0,0,0,0,1|3,0,0]=4 2710 B13R1.404 CCNC(=O)CCSc1cc[nH]n1 62a_100000737597_100000062575 [0,0,0,0,0,1|3,0,0]=4 2711 B13R1.404 CCNC(=O)CCSc1ccco1 62a_100000737597_100009814098 [0,0,0,0,0,1|1,0,0]=2 2712 B13R1.404 CCNC(=O)CCSc1ccco1 62a_100009814098_100000737597 [0,0,0,0,0,1|1,0,0]=2 2713 B13R1.404 CCNC(=O)CCSc1cccs1 62a_100000737597_100011215356 [0,0,0,0,0,1|1,1,0]=3 2714 B13R1.404 CCNC(=O)CCSc1cccs1 62a_100011215356_100000737597 [0,0,0,0,0,1|1,1,0]=3 2715 B13R1.404 CCNC(=O)CCSc1ccoc1 62a_100000737597_100011215275 [0,0,0,0,0,1|3,0,0]=4 2716 B13R1.404 CCNC(=O)CCSc1ccoc1 62a_100011215275_100000737597 [0,0,0,0,0,1|3,0,0]=4 2717 B13R1.404 CCNC(=O)CCSc1ccon1 62a_100000737597_100009818083 [0,0,0,0,0,1|3,0,0]=4 2718 B13R1.404 CCNC(=O)CCSc1ccon1 62a_100009818083_100000737597 [0,0,0,0,0,1|3,0,0]=4 2719 B13R1.404 CCNC(=O)CCSc1ccsc1 62a_100000737597_100000738268 [0,0,0,0,0,1|3,0,0]=4 2720 B13R1.404 CCNC(=O)CCSc1ccsc1 62a_100000738268_100000737597 [0,0,0,0,0,1|3,0,0]=4 2721 B13R1.404 CCNC(=O)CCSc1ccsn1 62a_100000737597_100009818082 [0,0,0,0,0,1|3,0,0]=4 2722 B13R1.404 CCNC(=O)CCSc1ccsn1 62a_100009818082_100000737597 [0,0,0,0,0,1|3,0,0]=4 2723 B13R1.404 CCNC(=O)CCSc1cnco1 62a_100000737597_100020591547 [0,0,0,0,0,1|2,0,0]=3 2724 B13R1.404 CCNC(=O)CCSc1cnco1 62a_100020591547_100000737597 [0,0,0,0,0,1|2,0,0]=3 2725 B13R1.404 CCNC(=O)CCSc1cncs1 62a_100000737597_100011934649 [0,0,0,0,0,1|2,1,0]=4 2726 B13R1.404 CCNC(=O)CCSc1cncs1 62a_100011934649_100000737597 [0,0,0,0,0,1|2,1,0]=4 2727 B13R1.404 CCNC(=O)CCSc1cscn1 62a_100000737597_100000751502 [0,0,0,0,0,1|3,0,0]=4 2728 B13R1.404 CCNC(=O)CCSc1cscn1 62a_100000751502_100000737597 [0,0,0,0,0,1|3,0,0]=4 2729 B13R1.404 CCNC(=O)CCSc1ncc[nH]1 62a_100000737597_100025796157 [0,0,0,0,0,1|3,0,0]=4 2730 B13R1.404 CCNC(=O)CCSc1ncc[nH]1 62a_100025796157_100000737597 [0,0,0,0,0,1|3,0,0]=4 2731 B13R1.404 CCNC(=O)CCSc1ncco1 62a_100000737597_100011787736 [0,0,0,0,0,1|2,0,0]=3 2732 B13R1.404 CCNC(=O)CCSc1ncco1 62a_100011787736_100000737597 [0,0,0,0,0,1|2,0,0]=3 2733 B13R1.404 CCNC(=O)CCSc1nccs1 62a_100000211983_100000737597 [0,0,0,0,0,1|2,1,0]=4 2734 B13R1.404 CCNC(=O)CCSc1nccs1 62a_100000737597_100000211983 [0,0,0,0,0,1|2,1,0]=4 2735 B13R1.404 CCNC(=O)CNCc1c[nH]cn1 2230a_100016988866_100000707719 [0,0,0,0,0,1|3,0,0]=4 2736 B13R1.404 CCNC(=O)CNCc1cc[nH]n1 270004a_100016988866_100000738523 [0,0,0,0,0,1|3,0,0]=4 2737 B13R1.404 CCNC(=O)CNCc1ccco1 2230a_100000185738_100000183381 [0,0,0,0,0,1|1,0,0]=2 2738 B13R1.404 CCNC(=O)CNCc1ccco1 270004a_100016988866_100000186105 [0,0,0,0,0,1|1,0,0]=2 2739 B13R1.404 CCNC(=O)CNCc1ccco1 34a_100000185738_100000183381 [0,0,0,0,0,1|1,0,0]=2 2740 B13R1.404 CCNC(=O)CNCc1cccs1 2230a_100000211653_100000183381 [0,0,0,0,0,1|1,1,0]=3 2741 B13R1.404 CCNC(=O)CNCc1cccs1 270004a_100016988866_100000209959 [0,0,0,0,0,1|1,1,0]=3 2742 B13R1.404 CCNC(=O)CNCc1ccn[nH]1 2230a_100016988866_100000728653 [0,0,0,0,0,1|3,0,0]=4 2743 B13R1.404 CCNC(=O)CNCc1ccoc1 2230a_100015206860_100000183381 [0,0,0,0,0,1|3,0,0]=4 2744 B13R1.404 CCNC(=O)CNCc1ccoc1 270004a_100016988866_100011215517 [0,0,0,0,0,1|3,0,0]=4 2745 B13R1.404 CCNC(=O)CNCc1ccoc1 34a_100015206860_100000183381 [0,0,0,0,0,1|3,0,0]=4 2746 B13R1.404 CCNC(=O)CNCc1ccon1 2230a_100016988866_100000234950 [0,0,0,0,0,1|3,0,0]=4 2747 B13R1.404 CCNC(=O)CNCc1ccsc1 2230a_100000186416_100000183381 [0,0,0,0,0,1|3,0,0]=4 2748 B13R1.404 CCNC(=O)CNCc1ccsc1 2230a_100016988866_100011261437 [0,0,0,0,0,1|3,0,0]=4 2749 B13R1.404 CCNC(=O)CNCc1ccsc1 270004a_100016988866_100000188534 [0,0,0,0,0,1|3,0,0]=4 2750 B13R1.404 CCNC(=O)CNCc1ccsc1 34a_100000186416_100000183381 [0,0,0,0,0,1|3,0,0]=4 2751 B13R1.404 CCNC(=O)CNCc1cnco1 270004a_100016988866_100000064291 [0,0,0,0,0,1|2,0,0]=3 2752 B13R1.404 CCNC(=O)CNCc1cncs1 2230a_100016987365_100000183381 [0,0,0,0,0,1|2,1,0]=4 2753 B13R1.404 CCNC(=O)CNCc1cncs1 2230a_100016988866_100015185245 [0,0,0,0,0,1|2,1,0]=4 2754 B13R1.404 CCNC(=O)CNCc1cncs1 270004a_100016988866_100000749870 [0,0,0,0,0,1|2,1,0]=4 2755 B13R1.404 CCNC(=O)CNCc1cocn1 270004a_100016988866_100000050382 [0,0,0,0,0,1|3,0,0]=4 2756 B13R1.404 CCNC(=O)CNCc1cscn1 2230a_100015185402_100000183381 [0,0,0,0,0,1|3,0,0]=4 2757 B13R1.404 CCNC(=O)CNCc1cscn1 2230a_100016988866_100000205941 [0,0,0,0,0,1|3,0,0]=4 2758 B13R1.404 CCNC(=O)CNCc1cscn1 270004a_100016988866_100000743575 [0,0,0,0,0,1|3,0,0]=4 2759 B13R1.404 CCNC(=O)CNCc1ncc[nH]1 2230a_100016988866_100016991755 [0,0,0,0,0,1|3,0,0]=4 2760 B13R1.404 CCNC(=O)CNCc1ncco1 2230a_100016988866_103436540062 [0,0,0,0,0,1|2,0,0]=3 2761 B13R1.404 CCNC(=O)CNCc1ncco1 2230a_100016994969_100000183381 [0,0,0,0,0,1|2,0,0]=3 2762 B13R1.404 CCNC(=O)CNCc1ncco1 270004a_100016988866_100000064290 [0,0,0,0,0,1|2,0,0]=3 2763 B13R1.404 CCNC(=O)CNCc1nccs1 2230a_100000740555_100000183381 [0,0,0,0,0,1|2,1,0]=4 2764 B13R1.404 CCNC(=O)CNCc1nccs1 2230a_100016988866_100015184050 [0,0,0,0,0,1|2,1,0]=4 2765 B13R1.404 CCNC(=O)CNCc1nccs1 270004a_100016988866_100000750902 [0,0,0,0,0,1|2,1,0]=4 2766 B13R1.404 CCNC(=O)COCc1ccco1 34a_100000210059_100000183381 [0,0,0,0,0,1|1,0,0]=2 2767 B13R1.404 CCNC(=O)COCc1cccs1 34a_100000211240_100000183381 [0,0,0,0,0,1|1,1,0]=3 2768 B13R1.404 CCNC(=O)COCc1ccno1 34a_100000740478_100000183381 [0,0,0,0,0,1|2,0,0]=3 2769 B13R1.404 CCNC(=O)COCc1ccoc1 34a_100011215357_100000183381 [0,0,0,0,0,1|3,0,0]=4 2770 B13R1.404 CCNC(=O)COCc1ccsc1 34a_100011215551_100000183381 [0,0,0,0,0,1|3,0,0]=4 2771 B13R1.404 CCNC(=O)COCc1ncco1 34a_100000062594_100000183381 [0,0,0,0,0,1|2,0,0]=3 2772 B13R1.404 CCNC(=O)COCn1cccn1 34a_100000731028_100000183381 [0,0,0,0,0,1|3,0,0]=4 2773 B13R1.404 CCNC(=O)CSCc1c[nH]cn1 62a_100000183381_100000707719 [0,0,0,0,0,1|3,0,0]=4 2774 B13R1.404 CCNC(=O)CSCc1c[nH]cn1 62a_100000707719_100000183381 [0,0,0,0,0,1|3,0,0]=4 2775 B13R1.404 CCNC(=O)CSCc1ccn[nH]1 62a_100000183381_100000728653 [0,0,0,0,0,1|3,0,0]=4 2776 B13R1.404 CCNC(=O)CSCc1ccn[nH]1 62a_100000728653_100000183381 [0,0,0,0,0,1|3,0,0]=4 2777 B13R1.404 CCNC(=O)CSCc1ccon1 62a_100000183381_100000234950 [0,0,0,0,0,1|3,0,0]=4 2778 B13R1.404 CCNC(=O)CSCc1ccon1 62a_100000234950_100000183381 [0,0,0,0,0,1|3,0,0]=4 2779 B13R1.404 CCNC(=O)CSCc1ccsc1 62a_100000183381_100011233845 [0,0,0,0,0,1|3,0,0]=4 2780 B13R1.404 CCNC(=O)CSCc1ccsc1 62a_100011261437_100000183381 [0,0,0,0,0,1|3,0,0]=4 2781 B13R1.404 CCNC(=O)CSCc1cncs1 62a_100000183381_100015185245 [0,0,0,0,0,1|2,1,0]=4 2782 B13R1.404 CCNC(=O)CSCc1cncs1 62a_100015185245_100000183381 [0,0,0,0,0,1|2,1,0]=4 2783 B13R1.404 CCNC(=O)CSCc1cscn1 62a_100000183381_100000205941 [0,0,0,0,0,1|3,0,0]=4 2784 B13R1.404 CCNC(=O)CSCc1cscn1 62a_100000205941_100000183381 [0,0,0,0,0,1|3,0,0]=4 2785 B13R1.404 CCNC(=O)CSCc1ncc[nH]1 62a_100000183381_100016991755 [0,0,0,0,0,1|3,0,0]=4 2786 B13R1.404 CCNC(=O)CSCc1ncc[nH]1 62a_100016991755_100000183381 [0,0,0,0,0,1|3,0,0]=4 2787 B13R1.404 CCNC(=O)CSCc1ncco1 62a_100000183381_103436540062 [0,0,0,0,0,1|2,0,0]=3 2788 B13R1.404 CCNC(=O)CSCc1ncco1 62a_103436540062_100000183381 [0,0,0,0,0,1|2,0,0]=3 2789 B13R1.404 CCNC(=O)CSCc1nccs1 62a_100000183381_100015184050 [0,0,0,0,0,1|2,1,0]=4 2790 B13R1.404 CCNC(=O)CSCc1nccs1 62a_100015184050_100000183381 [0,0,0,0,0,1|2,1,0]=4 2791 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 2708a_100000755092_100015525214 [0,0,0,0,0,1|3,0,0]=4 2792 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 2708a_100015525214_100000755092 [0,0,0,0,0,1|3,0,0]=4 2793 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 273464a_100000755092_100015525214 [0,0,0,0,0,1|3,0,0]=4 2794 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 273464a_100015525214_100000755092 [0,0,0,0,0,1|3,0,0]=4 2795 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 512a_100000755092_100015525214 [0,0,0,0,0,1|3,0,0]=4 2796 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 512a_100015525214_100000755092 [0,0,0,0,0,1|3,0,0]=4 2797 B13R1.404 CCNC(=O)NCCc1ccco1 2708a_100000694680_100015525214 [0,0,0,0,0,1|1,0,0]=2 2798 B13R1.404 CCNC(=O)NCCc1ccco1 2708a_100015525214_100000694680 [0,0,0,0,0,1|1,0,0]=2 2799 B13R1.404 CCNC(=O)NCCc1ccco1 273464a_100000694680_100015525214 [0,0,0,0,0,1|1,0,0]=2 2800 B13R1.404 CCNC(=O)NCCc1ccco1 512a_100000694680_100015525214 [0,0,0,0,0,1|1,0,0]=2 2801 B13R1.404 CCNC(=O)NCCc1ccco1 512a_100015525214_100000694680 [0,0,0,0,0,1|1,0,0]=2 2802 B13R1.404 CCNC(=O)NCCc1cccs1 2708a_100000203755_100015525214 [0,0,0,0,0,1|1,1,0]=3 2803 B13R1.404 CCNC(=O)NCCc1cccs1 2708a_100015525214_100000203755 [0,0,0,0,0,1|1,1,0]=3 2804 B13R1.404 CCNC(=O)NCCc1cccs1 273464a_100000203755_100015525214 [0,0,0,0,0,1|1,1,0]=3 2805 B13R1.404 CCNC(=O)NCCc1cccs1 273464a_100015525214_100000203755 [0,0,0,0,0,1|1,1,0]=3 2806 B13R1.404 CCNC(=O)NCCc1cccs1 512a_100000203755_100015525214 [0,0,0,0,0,1|1,1,0]=3 2807 B13R1.404 CCNC(=O)NCCc1cccs1 512a_100015525214_100000203755 [0,0,0,0,0,1|1,1,0]=3 2808 B13R1.404 CCNC(=O)NCCc1ccsc1 2708a_100000692642_100015525214 [0,0,0,0,0,1|3,0,0]=4 2809 B13R1.404 CCNC(=O)NCCc1ccsc1 2708a_100015525214_100000692642 [0,0,0,0,0,1|3,0,0]=4 2810 B13R1.404 CCNC(=O)NCCc1ccsc1 273464a_100000692642_100015525214 [0,0,0,0,0,1|3,0,0]=4 2811 B13R1.404 CCNC(=O)NCCc1ccsc1 273464a_100015525214_100000692642 [0,0,0,0,0,1|3,0,0]=4 2812 B13R1.404 CCNC(=O)NCCc1ccsc1 512a_100000692642_100015525214 [0,0,0,0,0,1|3,0,0]=4 2813 B13R1.404 CCNC(=O)NCCc1ccsc1 512a_100015525214_100000692642 [0,0,0,0,0,1|3,0,0]=4 2814 B13R1.404 CCNC(=O)NCCc1cncs1 2708a_100015525214_100016991637 [0,0,0,0,0,1|2,1,0]=4 2815 B13R1.404 CCNC(=O)NCCc1cncs1 2708a_100016991637_100015525214 [0,0,0,0,0,1|2,1,0]=4 2816 B13R1.404 CCNC(=O)NCCc1cncs1 273464a_100015525214_100016991637 [0,0,0,0,0,1|2,1,0]=4 2817 B13R1.404 CCNC(=O)NCCc1cncs1 273464a_100016991637_100015525214 [0,0,0,0,0,1|2,1,0]=4 2818 B13R1.404 CCNC(=O)NCCc1cncs1 512a_100015525214_100016991637 [0,0,0,0,0,1|2,1,0]=4 2819 B13R1.404 CCNC(=O)NCCc1cncs1 512a_100016991637_100015525214 [0,0,0,0,0,1|2,1,0]=4 2820 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 2708a_100000754300_100015525214 [0,0,0,0,0,1|3,0,0]=4 2821 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 2708a_100015525214_100000754300 [0,0,0,0,0,1|3,0,0]=4 2822 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 273464a_100000754300_100015525214 [0,0,0,0,0,1|3,0,0]=4 2823 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 273464a_100015525214_100000754300 [0,0,0,0,0,1|3,0,0]=4 2824 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 512a_100000754300_100015525214 [0,0,0,0,0,1|3,0,0]=4 2825 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 512a_100015525214_100000754300 [0,0,0,0,0,1|3,0,0]=4 2826 B13R1.404 CCNC(=O)NCCc1nccs1 2708a_100015186391_100015525214 [0,0,0,0,0,1|2,1,0]=4 2827 B13R1.404 CCNC(=O)NCCc1nccs1 2708a_100015525214_100015186391 [0,0,0,0,0,1|2,1,0]=4 2828 B13R1.404 CCNC(=O)NCCc1nccs1 273464a_100015186391_100015525214 [0,0,0,0,0,1|2,1,0]=4 2829 B13R1.404 CCNC(=O)NCCc1nccs1 273464a_100015525214_100015186391 [0,0,0,0,0,1|2,1,0]=4 2830 B13R1.404 CCNC(=O)NCCc1nccs1 512a_100015186391_100015525214 [0,0,0,0,0,1|2,1,0]=4 2831 B13R1.404 CCNC(=O)NCCc1nccs1 512a_100015525214_100015186391 [0,0,0,0,0,1|2,1,0]=4 2832 B13R1.404 CCNC(=O)NCCn1cccc1 2708a_100011368172_100015525214 [0,0,0,0,0,1|3,0,0]=4 2833 B13R1.404 CCNC(=O)NCCn1cccc1 2708a_100015525214_100011368172 [0,0,0,0,0,1|3,0,0]=4 2834 B13R1.404 CCNC(=O)NCCn1cccc1 273464a_100011368172_100015525214 [0,0,0,0,0,1|3,0,0]=4 2835 B13R1.404 CCNC(=O)NCCn1cccc1 273464a_100015525214_100011368172 [0,0,0,0,0,1|3,0,0]=4 2836 B13R1.404 CCNC(=O)NCCn1cccc1 512a_100011368172_100015525214 [0,0,0,0,0,1|3,0,0]=4 2837 B13R1.404 CCNC(=O)NCCn1cccc1 512a_100015525214_100011368172 [0,0,0,0,0,1|3,0,0]=4 2838 B13R1.404 CCNC(=O)NCCn1cccn1 2708a_100011200920_100015525214 [0,0,0,0,0,1|3,0,0]=4 2839 B13R1.404 CCNC(=O)NCCn1cccn1 2708a_100015525214_100011200920 [0,0,0,0,0,1|3,0,0]=4 2840 B13R1.404 CCNC(=O)NCCn1cccn1 273464a_100011200920_100015525214 [0,0,0,0,0,1|3,0,0]=4 2841 B13R1.404 CCNC(=O)NCCn1cccn1 273464a_100015525214_100011200920 [0,0,0,0,0,1|3,0,0]=4 2842 B13R1.404 CCNC(=O)NCCn1cccn1 512a_100011200920_100015525214 [0,0,0,0,0,1|3,0,0]=4 2843 B13R1.404 CCNC(=O)NCCn1cccn1 512a_100015525214_100011200920 [0,0,0,0,0,1|3,0,0]=4 2844 B13R1.404 CCNC(C)CSCc1ccco1 270004a_100015525214_200000149978 [0,0,0,0,0,1|2,0,1]=4 2845 B13R1.404 CCOC(=O)CCCN1CC=CC1 269982a_100015195280_100009991533 [0,0,0,0,0,1|2,0,1]=4 2846 B13R1.404 CCOC(=O)CCNC1CC=CC1 2230a_100015188752_100011206558 [0,0,0,0,0,1|1,0,2]=4 2847 B13R1.404 CCOC(=O)CCOc1ccsc1 34a_100000106738_100000765890 [0,0,0,0,0,1|2,0,0]=3 2848 B13R1.404 CCOC(=O)CCOc1ccsc1 7a_100000106738_100011206558 [0,0,0,0,0,1|2,0,0]=3 2849 B13R1.404 CCOC(=O)CCSc1c[nH]cn1 62a_100000756875_100000765890 [0,0,0,0,0,1|2,0,0]=3 2850 B13R1.404 CCOC(=O)CCSc1c[nH]cn1 62a_100000765890_100000756875 [0,0,0,0,0,1|2,0,0]=3 2851 B13R1.404 CCOC(=O)CCSc1c[nH]nn1 62a_100000765890_100009819707 [0,0,0,0,0,1|3,0,0]=4 2852 B13R1.404 CCOC(=O)CCSc1c[nH]nn1 62a_100009819707_100000765890 [0,0,0,0,0,1|3,0,0]=4 2853 B13R1.404 CCOC(=O)CCSc1cc[nH]n1 62a_100000062575_100000765890 [0,0,0,0,0,1|2,0,0]=3 2854 B13R1.404 CCOC(=O)CCSc1cc[nH]n1 62a_100000765890_100000062575 [0,0,0,0,0,1|2,0,0]=3 2855 B13R1.404 CCOC(=O)CCSc1ccco1 62a_100000765890_100009814098 [0,0,0,0,0,1|0,0,0]=1 2856 B13R1.404 CCOC(=O)CCSc1ccco1 62a_100009814098_100000765890 [0,0,0,0,0,1|0,0,0]=1 2857 B13R1.404 CCOC(=O)CCSc1cccs1 62a_100000765890_100011215356 [0,0,0,0,0,1|0,1,0]=2 2858 B13R1.404 CCOC(=O)CCSc1cccs1 62a_100011215356_100000765890 [0,0,0,0,0,1|0,1,0]=2 2859 B13R1.404 CCOC(=O)CCSc1ccoc1 62a_100000765890_100011215275 [0,0,0,0,0,1|2,0,0]=3 2860 B13R1.404 CCOC(=O)CCSc1ccoc1 62a_100011215275_100000765890 [0,0,0,0,0,1|2,0,0]=3 2861 B13R1.404 CCOC(=O)CCSc1ccon1 62a_100000765890_100009818083 [0,0,0,0,0,1|2,0,0]=3 2862 B13R1.404 CCOC(=O)CCSc1ccon1 62a_100009818083_100000765890 [0,0,0,0,0,1|2,0,0]=3 2863 B13R1.404 CCOC(=O)CCSc1ccsc1 62a_100000738268_100000765890 [0,0,0,0,0,1|2,0,0]=3 2864 B13R1.404 CCOC(=O)CCSc1ccsc1 62a_100000765890_100000738268 [0,0,0,0,0,1|2,0,0]=3 2865 B13R1.404 CCOC(=O)CCSc1ccsn1 62a_100000765890_100009818082 [0,0,0,0,0,1|2,0,0]=3 2866 B13R1.404 CCOC(=O)CCSc1ccsn1 62a_100009818082_100000765890 [0,0,0,0,0,1|2,0,0]=3 2867 B13R1.404 CCOC(=O)CCSc1cn[nH]c1 62a_100000238712_100000765890 [0,0,0,0,0,1|3,0,0]=4 2868 B13R1.404 CCOC(=O)CCSc1cn[nH]c1 62a_100000765890_100000238712 [0,0,0,0,0,1|3,0,0]=4 2869 B13R1.404 CCOC(=O)CCSc1cnco1 62a_100000765890_100020591547 [0,0,0,0,0,1|1,0,0]=2 2870 B13R1.404 CCOC(=O)CCSc1cnco1 62a_100020591547_100000765890 [0,0,0,0,0,1|1,0,0]=2 2871 B13R1.404 CCOC(=O)CCSc1cncs1 62a_100000765890_100011934649 [0,0,0,0,0,1|1,1,0]=3 2872 B13R1.404 CCOC(=O)CCSc1cncs1 62a_100011934649_100000765890 [0,0,0,0,0,1|1,1,0]=3 2873 B13R1.404 CCOC(=O)CCSc1cnoc1 62a_100000765890_100009815712 [0,0,0,0,0,1|3,0,0]=4 2874 B13R1.404 CCOC(=O)CCSc1cnoc1 62a_100009815712_100000765890 [0,0,0,0,0,1|3,0,0]=4 2875 B13R1.404 CCOC(=O)CCSc1cnsc1 62a_100000765890_100009815736 [0,0,0,0,0,1|3,0,0]=4 2876 B13R1.404 CCOC(=O)CCSc1cnsc1 62a_100009815736_100000765890 [0,0,0,0,0,1|3,0,0]=4 2877 B13R1.404 CCOC(=O)CCSc1cscn1 62a_100000751502_100000765890 [0,0,0,0,0,1|2,0,0]=3 2878 B13R1.404 CCOC(=O)CCSc1cscn1 62a_100000765890_100000751502 [0,0,0,0,0,1|2,0,0]=3 2879 B13R1.404 CCOC(=O)CCSc1nc[nH]n1 62a_100000761765_100000765890 [0,0,0,0,0,1|3,0,0]=4 2880 B13R1.404 CCOC(=O)CCSc1nc[nH]n1 62a_100000765890_100000761765 [0,0,0,0,0,1|3,0,0]=4 2881 B13R1.404 CCOC(=O)CCSc1ncc[nH]1 62a_100000765890_100025796157 [0,0,0,0,0,1|2,0,0]=3 2882 B13R1.404 CCOC(=O)CCSc1ncc[nH]1 62a_100025796157_100000765890 [0,0,0,0,0,1|2,0,0]=3 2883 B13R1.404 CCOC(=O)CCSc1ncco1 62a_100000765890_100011787736 [0,0,0,0,0,1|1,0,0]=2 2884 B13R1.404 CCOC(=O)CCSc1ncco1 62a_100011787736_100000765890 [0,0,0,0,0,1|1,0,0]=2 2885 B13R1.404 CCOC(=O)CCSc1nccs1 62a_100000211983_100000765890 [0,0,0,0,0,1|1,1,0]=3 2886 B13R1.404 CCOC(=O)CCSc1nccs1 62a_100000765890_100000211983 [0,0,0,0,0,1|1,1,0]=3 2887 B13R1.404 CCOC(=O)CCSc1ncns1 62a_100000693119_100000765890 [0,0,0,0,0,1|2,1,0]=4 2888 B13R1.404 CCOC(=O)CCSc1ncns1 62a_100000765890_100000693119 [0,0,0,0,0,1|2,1,0]=4 2889 B13R1.404 CCOC(=O)CCSc1nncs1 62a_100000739804_100000765890 [0,0,0,0,0,1|2,1,0]=4 2890 B13R1.404 CCOC(=O)CCSc1nncs1 62a_100000765890_100000739804 [0,0,0,0,0,1|2,1,0]=4 2891 B13R1.404 CCOC(=O)CNCc1ccco1 2230a_100000185738_100000188475 [0,0,0,0,0,1|0,0,0]=1 2892 B13R1.404 CCOC(=O)CNCc1ccco1 34a_100000185738_100000188475 [0,0,0,0,0,1|0,0,0]=1 2893 B13R1.404 CCOC(=O)CNCc1cccs1 2230a_100000211653_100000188475 [0,0,0,0,0,1|0,1,0]=2 2894 B13R1.404 CCOC(=O)CNCc1ccoc1 2230a_100015206860_100000188475 [0,0,0,0,0,1|2,0,0]=3 2895 B13R1.404 CCOC(=O)CNCc1ccoc1 34a_100015206860_100000188475 [0,0,0,0,0,1|2,0,0]=3 2896 B13R1.404 CCOC(=O)CNCc1ccsc1 2230a_100000186416_100000188475 [0,0,0,0,0,1|2,0,0]=3 2897 B13R1.404 CCOC(=O)CNCc1ccsc1 34a_100000186416_100000188475 [0,0,0,0,0,1|2,0,0]=3 2898 B13R1.404 CCOC(=O)CNCc1cncs1 2230a_100016987365_100000188475 [0,0,0,0,0,1|1,1,0]=3 2899 B13R1.404 CCOC(=O)CNCc1cscn1 2230a_100015185402_100000188475 [0,0,0,0,0,1|2,0,0]=3 2900 B13R1.404 CCOC(=O)CNCc1ncco1 2230a_100016994969_100000188475 [0,0,0,0,0,1|1,0,0]=2 2901 B13R1.404 CCOC(=O)CNCc1nccs1 2230a_100000740555_100000188475 [0,0,0,0,0,1|1,1,0]=3 2902 B13R1.404 CCOC(=O)CNCc1nnc[nH]1 2230a_200015183720_100000188475 [0,0,0,0,0,1|3,0,0]=4 2903 B13R1.404 CCOC(=O)COCC1CC=CC1 34a_100000688395_100000188475 [0,0,0,0,0,1|1,0,2]=4 2904 B13R1.404 CCOC(=O)COCc1ccco1 34a_100000210059_100000188475 [0,0,0,0,0,1|0,0,0]=1 2905 B13R1.404 CCOC(=O)COCc1cccs1 34a_100000211240_100000188475 [0,0,0,0,0,1|0,1,0]=2 2906 B13R1.404 CCOC(=O)COCc1ccno1 34a_100000740478_100000188475 [0,0,0,0,0,1|1,0,0]=2 2907 B13R1.404 CCOC(=O)COCc1ccoc1 34a_100011215357_100000188475 [0,0,0,0,0,1|2,0,0]=3 2908 B13R1.404 CCOC(=O)COCc1ccsc1 34a_100011215551_100000188475 [0,0,0,0,0,1|2,0,0]=3 2909 B13R1.404 CCOC(=O)COCc1ncco1 34a_100000062594_100000188475 [0,0,0,0,0,1|1,0,0]=2 2910 B13R1.404 CCOC(=O)COCn1cccn1 34a_100000731028_100000188475 [0,0,0,0,0,1|2,0,0]=3 2911 B13R1.404 CCOC(=O)CSCc1c[nH]cn1 62a_100000188475_100000707719 [0,0,0,0,0,1|2,0,0]=3 2912 B13R1.404 CCOC(=O)CSCc1c[nH]cn1 62a_100000707719_100000188475 [0,0,0,0,0,1|2,0,0]=3 2913 B13R1.404 CCOC(=O)CSCc1ccn[nH]1 62a_100000188475_100000728653 [0,0,0,0,0,1|2,0,0]=3 2914 B13R1.404 CCOC(=O)CSCc1ccn[nH]1 62a_100000728653_100000188475 [0,0,0,0,0,1|2,0,0]=3 2915 B13R1.404 CCOC(=O)CSCc1ccon1 62a_100000188475_100000234950 [0,0,0,0,0,1|2,0,0]=3 2916 B13R1.404 CCOC(=O)CSCc1ccon1 62a_100000234950_100000188475 [0,0,0,0,0,1|2,0,0]=3 2917 B13R1.404 CCOC(=O)CSCc1ccsc1 62a_100000188475_100011233845 [0,0,0,0,0,1|2,0,0]=3 2918 B13R1.404 CCOC(=O)CSCc1ccsc1 62a_100011261437_100000188475 [0,0,0,0,0,1|2,0,0]=3 2919 B13R1.404 CCOC(=O)CSCc1cncs1 62a_100000188475_100015185245 [0,0,0,0,0,1|1,1,0]=3 2920 B13R1.404 CCOC(=O)CSCc1cncs1 62a_100015185245_100000188475 [0,0,0,0,0,1|1,1,0]=3 2921 B13R1.404 CCOC(=O)CSCc1cscn1 62a_100000188475_100000205941 [0,0,0,0,0,1|2,0,0]=3 2922 B13R1.404 CCOC(=O)CSCc1cscn1 62a_100000205941_100000188475 [0,0,0,0,0,1|2,0,0]=3 2923 B13R1.404 CCOC(=O)CSCc1ncc[nH]1 62a_100000188475_100016991755 [0,0,0,0,0,1|2,0,0]=3 2924 B13R1.404 CCOC(=O)CSCc1ncc[nH]1 62a_100016991755_100000188475 [0,0,0,0,0,1|2,0,0]=3 2925 B13R1.404 CCOC(=O)CSCc1ncco1 62a_100000188475_103436540062 [0,0,0,0,0,1|1,0,0]=2 2926 B13R1.404 CCOC(=O)CSCc1ncco1 62a_103436540062_100000188475 [0,0,0,0,0,1|1,0,0]=2 2927 B13R1.404 CCOC(=O)CSCc1nccs1 62a_100000188475_100015184050 [0,0,0,0,0,1|1,1,0]=3 2928 B13R1.404 CCOC(=O)CSCc1nccs1 62a_100015184050_100000188475 [0,0,0,0,0,1|1,1,0]=3 2929 B13R1.404 CCOC(=O)CSCc1ncon1 62a_100000188475_100000233494 [0,0,0,0,0,1|3,0,0]=4 2930 B13R1.404 CCOC(=O)CSCc1ncon1 62a_100000233494_100000188475 [0,0,0,0,0,1|3,0,0]=4 2931 B13R1.404 CCOC(=O)CSCn1cncn1 62a_100000188475_200020645497 [0,0,0,0,0,1|3,0,0]=4 2932 B13R1.404 CCOC(=O)CSCn1cncn1 62a_200020645497_100000188475 [0,0,0,0,0,1|3,0,0]=4 2933 B13R1.404 CCOC(=O)NCCN1CC=CC1 269982a_100015195280_200011445536 [0,0,0,0,0,1|2,0,1]=4 2934 B13R1.404 CCOC(=O)OCSc1c[nH]cn1 62a_100000756875_100000075025 [0,0,0,0,0,1|3,0,0]=4 2935 B13R1.404 CCOC(=O)OCSc1cc[nH]n1 62a_100000062575_100000075025 [0,0,0,0,0,1|3,0,0]=4 2936 B13R1.404 CCOC(=O)OCSc1ccco1 62a_100009814098_100000075025 [0,0,0,0,0,1|1,0,0]=2 2937 B13R1.404 CCOC(=O)OCSc1cccs1 62a_100011215356_100000075025 [0,0,0,0,0,1|1,1,0]=3 2938 B13R1.404 CCOC(=O)OCSc1ccoc1 62a_100011215275_100000075025 [0,0,0,0,0,1|3,0,0]=4 2939 B13R1.404 CCOC(=O)OCSc1ccon1 62a_100009818083_100000075025 [0,0,0,0,0,1|3,0,0]=4 2940 B13R1.404 CCOC(=O)OCSc1ccsc1 62a_100000738268_100000075025 [0,0,0,0,0,1|3,0,0]=4 2941 B13R1.404 CCOC(=O)OCSc1ccsn1 62a_100009818082_100000075025 [0,0,0,0,0,1|3,0,0]=4 2942 B13R1.404 CCOC(=O)OCSc1cnco1 62a_100020591547_100000075025 [0,0,0,0,0,1|2,0,0]=3 2943 B13R1.404 CCOC(=O)OCSc1cncs1 62a_100011934649_100000075025 [0,0,0,0,0,1|2,1,0]=4 2944 B13R1.404 CCOC(=O)OCSc1cscn1 62a_100000751502_100000075025 [0,0,0,0,0,1|3,0,0]=4 2945 B13R1.404 CCOC(=O)OCSc1ncc[nH]1 62a_100025796157_100000075025 [0,0,0,0,0,1|3,0,0]=4 2946 B13R1.404 CCOC(=O)OCSc1ncco1 62a_100011787736_100000075025 [0,0,0,0,0,1|2,0,0]=3 2947 B13R1.404 CCOC(=O)OCSc1nccs1 62a_100000211983_100000075025 [0,0,0,0,0,1|2,1,0]=4 2948 B13R1.404 CNCC(=O)NCCc1cccs1 2230a_106832991635_100000198571 [0,0,0,0,0,1|2,1,0]=4 2949 B13R1.404 CNCC(=O)NCCc1cccs1 34a_100102657272_100000198571 [0,0,0,0,0,1|2,1,0]=4 2950 B13R1.404 CNCC(=O)NCCc1cccs1 7a_106832991635_100000198571 [0,0,0,0,0,1|2,1,0]=4 2951 B13R1.404 CNNC(=O)CCCc1cccs1 22a_100016993582_100000184482 [0,0,0,0,0,1|2,1,0]=4 2952 B13R1.404 CNNC(=O)NCCc1ccco1 273464a_100000694680_100016993582 [0,0,0,0,0,1|2,0,0]=3 2953 B13R1.404 CNNC(=O)NCCc1ccco1 512a_100000694680_100016993582 [0,0,0,0,0,1|2,0,0]=3 2954 B13R1.404 CNNC(=O)NCCc1ccco1 512a_100016993582_100000694680 [0,0,0,0,0,1|2,0,0]=3 2955 B13R1.404 CNNC(=O)NCCc1cccs1 273464a_100000203755_100016993582 [0,0,0,0,0,1|2,1,0]=4 2956 B13R1.404 CNNC(=O)NCCc1cccs1 512a_100000203755_100016993582 [0,0,0,0,0,1|2,1,0]=4 2957 B13R1.404 CNNC(=O)NCCc1cccs1 512a_100016993582_100000203755 [0,0,0,0,0,1|2,1,0]=4 2958 B13R1.404 COCC(=O)CCCc1cccs1 1458a_100000210968_100010992444 [0,0,0,0,0,1|2,1,0]=4 2959 B13R1.404 COCC(=O)NCCc1ccco1 11a_100000694680_100000210968 [0,0,0,0,0,1|2,0,0]=3 2960 B13R1.404 COCC(=O)NCCc1ccco1 1626a_100000694680_100000210968 [0,0,0,0,0,1|2,0,0]=3 2961 B13R1.404 COCC(=O)NCCc1ccco1 240690a_100000694680_100000210968 [0,0,0,0,0,1|2,0,0]=3 2962 B13R1.404 COCC(=O)NCCc1ccco1 527a_100000694680_100000210968 [0,0,0,0,0,1|2,0,0]=3 2963 B13R1.404 COCC(=O)NCCc1cccs1 11a_100000203755_100000210968 [0,0,0,0,0,1|2,1,0]=4 2964 B13R1.404 COCC(=O)NCCc1cccs1 1626a_100000203755_100000210968 [0,0,0,0,0,1|2,1,0]=4 2965 B13R1.404 COCC(=O)NCCc1cccs1 240690a_100000203755_100000210968 [0,0,0,0,0,1|2,1,0]=4 2966 B13R1.404 COCC(=O)NCCc1cccs1 34a_100138415774_100000198571 [0,0,0,0,0,1|2,1,0]=4 2967 B13R1.404 COCC(=O)NCCc1cccs1 527a_100000203755_100000210968 [0,0,0,0,0,1|2,1,0]=4 2968 B13R1.404 CSCC(=O)CCCc1cccs1 1458a_100000184570_100010992444 [0,0,0,0,0,1|2,1,0]=4 2969 B13R1.404 CSCC(=O)NCCc1ccco1 11a_100000694680_100000184570 [0,0,0,0,0,1|2,0,0]=3 2970 B13R1.404 CSCC(=O)NCCc1ccco1 1626a_100000694680_100000184570 [0,0,0,0,0,1|2,0,0]=3 2971 B13R1.404 CSCC(=O)NCCc1ccco1 240690a_100000694680_100000184570 [0,0,0,0,0,1|2,0,0]=3 2972 B13R1.404 CSCC(=O)NCCc1ccco1 527a_100000694680_100000184570 [0,0,0,0,0,1|2,0,0]=3 2973 B13R1.404 CSCC(=O)NCCc1cccs1 11a_100000203755_100000184570 [0,0,0,0,0,1|2,1,0]=4 2974 B13R1.404 CSCC(=O)NCCc1cccs1 1626a_100000203755_100000184570 [0,0,0,0,0,1|2,1,0]=4 2975 B13R1.404 CSCC(=O)NCCc1cccs1 240690a_100000203755_100000184570 [0,0,0,0,0,1|2,1,0]=4 2976 B13R1.404 CSCC(=O)NCCc1cccs1 527a_100000203755_100000184570 [0,0,0,0,0,1|2,1,0]=4 2977 B13R1.404 CSCC(=O)NCCc1cccs1 62a_100000198571_200000210301 [0,0,0,0,0,1|2,1,0]=4 2978 B13R1.404 CSCC(=O)NCCc1cccs1 62a_200000210301_100000198571 [0,0,0,0,0,1|2,1,0]=4 2979 B13R1.404 N#CCC(=O)NCCc1ccco1 1626a_100000694680_100051588842 [0,0,0,0,0,1|2,0,1]=4 2980 B13R1.404 N#CCC(=O)NCCc1ccco1 240690a_100000694680_100051588842 [0,0,0,0,0,1|2,0,1]=4 2981 B13R1.404 O=C(C=CBr)NCCc1ccco1 1626a_100000694680_100016273825 [0,0,0,0,0,1|2,0,1]=4 2982 B13R1.404 O=C(C=CBr)NCCc1ccco1 240690a_100000694680_100016273825 [0,0,0,0,0,1|2,0,1]=4 2983 B13R1.404 O=C(C=CCl)NCCc1ccco1 11a_100000694680_200016279998 [0,0,0,0,0,1|2,0,1]=4 2984 B13R1.404 O=C(C=CCl)NCCc1ccco1 1626a_100000694680_200016279998 [0,0,0,0,0,1|2,0,1]=4 2985 B13R1.404 O=C(C=CCl)NCCc1ccco1 240690a_100000694680_200016279998 [0,0,0,0,0,1|2,0,1]=4 2986 B13R1.404 O=C(C=CI)NCCc1ccco1 1626a_100000694680_100016256311 [0,0,0,0,0,1|2,0,1]=4 2987 B13R1.404 O=C(CCF)CCCc1cccs1 1458a_100000184482_100011217306 [0,0,0,0,0,1|2,1,0]=4 2988 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100000184482_100000211926 [0,0,0,0,0,1|2,1,0]=4 2989 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100011216618_100010992444 [0,0,0,0,0,1|2,1,0]=4 2990 B13R1.404 O=C(CCO)NCCc1ccco1 240690a_100000694680_100011216618 [0,0,0,0,0,1|2,0,0]=3 2991 B13R1.404 O=C(CCO)NCCc1cccs1 240690a_100000203755_100011216618 [0,0,0,0,0,1|2,1,0]=4 2992 B13R1.404 O=C(CNCc1ccco1)NCO 2230a_100000185738_100000185155 [0,0,0,0,0,1|2,0,0]=3 2993 B13R1.404 O=C(CNCc1ccco1)NCO 34a_100000185738_100000185155 [0,0,0,0,0,1|2,0,0]=3 2994 B13R1.404 O=C(CNCc1cccs1)NCO 2230a_100000211653_100000185155 [0,0,0,0,0,1|2,1,0]=4 2995 B13R1.404 O=C(CNCc1ncco1)NCO 2230a_100016994969_100000185155 [0,0,0,0,0,1|3,0,0]=4 2996 B13R1.404 O=C(COCc1ccco1)NCO 34a_100000210059_100000185155 [0,0,0,0,0,1|2,0,0]=3 2997 B13R1.404 O=C(COCc1cccs1)NCO 34a_100000211240_100000185155 [0,0,0,0,0,1|2,1,0]=4 2998 B13R1.404 O=C(COCc1ccno1)NCO 34a_100000740478_100000185155 [0,0,0,0,0,1|3,0,0]=4 2999 B13R1.404 O=C(COCc1ncco1)NCO 34a_100000062594_100000185155 [0,0,0,0,0,1|3,0,0]=4 3000 B13R1.404 O=C(CSCc1ncco1)NCO 62a_100000185155_103436540062 [0,0,0,0,0,1|3,0,0]=4 3001 B13R1.404 O=C(CSCc1ncco1)NCO 62a_103436540062_100000185155 [0,0,0,0,0,1|3,0,0]=4 3002 B13R1.404 [13CH3]SCC(=O)NCCc1cccs1 62a_100000198571_200025704644 [0,0,0,0,0,1|2,1,0]=4 3003 B13R1.404 [13CH3]SCC(=O)NCCc1cccs1 62a_200025704644_100000198571 [0,0,0,0,0,1|2,1,0]=4 3004 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [1,0,1,0,0,0|1,0,1]=4 3005 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [1,0,1,0,0,0|1,0,1]=4 3006 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [1,0,1,0,0,0|1,0,1]=4 3007 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [1,0,1,0,0,0|1,0,1]=4 3008 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [1,0,1,0,0,0|1,0,1]=4 3009 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [1,0,1,0,0,0|0,0,1]=3 3010 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [1,0,1,0,0,0|0,1,1]=4 3011 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [1,0,1,0,0,0|0,1,1]=4 3012 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [1,0,1,0,0,0|0,0,2]=4 3013 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [1,0,1,0,0,0|0,0,2]=4 3014 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [2,0,0,0,0,0|1,0,1]=4 3015 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [2,0,0,0,0,0|1,0,1]=4 3016 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [2,0,0,0,0,0|1,0,1]=4 3017 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [2,0,0,0,0,0|1,0,1]=4 3018 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [2,0,0,0,0,0|1,0,1]=4 3019 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [2,0,0,0,0,0|1,0,1]=4 3020 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [2,0,0,0,0,0|1,0,1]=4 3021 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [2,0,0,0,0,0|1,0,1]=4 3022 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [2,0,0,0,0,0|1,0,1]=4 3023 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [2,0,0,0,0,0|1,0,1]=4 3024 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [2,0,0,0,0,0|1,0,1]=4 3025 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [2,0,0,0,0,0|1,0,1]=4 3026 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [2,0,0,0,0,0|1,0,0]=3 3027 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [2,0,0,0,0,0|1,0,0]=3 3028 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [2,0,0,0,0,0|1,1,0]=4 3029 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [2,0,0,0,0,0|1,1,0]=4 3030 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [2,0,0,0,0,0|1,1,0]=4 3031 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [2,0,0,0,0,0|0,0,1]=3 3032 B10R1.21 CCOC=Cc1cccs1 271570a_100016256518_100011215356 [2,0,0,0,0,0|0,1,1]=4 3033 B10R1.21 CCOC=Cc1cnco1 271570a_100016256518_100020591547 [2,0,0,0,0,0|1,0,1]=4 3034 B10R1.21 CCOC=Cc1ncco1 271570a_100016256518_100011787736 [2,0,0,0,0,0|1,0,1]=4 3035 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [2,0,0,0,0,0|0,1,0]=3 3036 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [2,0,0,0,0,0|0,1,0]=3 3037 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [2,0,0,0,0,0|0,1,0]=3 3038 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [2,0,0,0,0,0|2,0,0]=4 3039 B10R1.21 CCOCCc1ncc[nH]1 34a_103549771195_100000210202 [2,0,0,0,0,0|2,0,0]=4 3040 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [2,0,0,0,0,0|2,0,0]=4 3041 B10R1.21 CCOCCn1cccn1 34a_100000743371_100000210202 [2,0,0,0,0,0|2,0,0]=4 3042 B10R1.21 CCOCCn1cccn1 34a_100121572206_100015204718 [2,0,0,0,0,0|2,0,0]=4 3043 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [2,0,0,0,0,0|1,0,0]=3 3044 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [2,0,0,0,0,0|1,0,0]=3 3045 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [2,0,0,0,0,0|1,1,0]=4 3046 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [2,0,0,0,0,0|1,1,0]=4 3047 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [2,0,0,0,0,0|2,0,0]=4 3048 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [2,0,0,0,0,0|2,0,0]=4 3049 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [2,0,0,0,0,0|2,0,0]=4 3050 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [2,0,0,0,0,0|2,0,0]=4 3051 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [2,0,0,0,0,0|0,2,0]=4 3052 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [2,0,0,0,0,0|0,2,0]=4 3053 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [2,0,0,0,0,0|0,1,1]=4 3054 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [2,0,0,0,0,0|0,1,1]=4 3055 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [2,0,0,0,0,0|0,1,1]=4 3056 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [2,0,0,0,0,0|1,0,1]=4 3057 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [2,0,0,0,0,0|1,0,1]=4 3058 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [2,0,0,0,0,0|1,0,1]=4 3059 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [2,0,0,0,0,0|2,0,0]=4 3060 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [2,0,0,0,0,0|1,1,0]=4 3061 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [2,0,0,0,0,0|1,1,0]=4 3062 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [2,0,0,0,0,0|0,1,1]=4 3063 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [2,0,0,0,0,0|0,1,1]=4 3064 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [2,0,0,0,0,0|2,0,0]=4 3065 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [2,0,0,0,0,0|2,0,0]=4 3066 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [2,0,0,0,0,0|2,0,0]=4 3067 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [2,0,0,0,0,0|2,0,0]=4 3068 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [2,0,0,0,0,0|1,0,0]=3 3069 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [2,0,0,0,0,0|0,0,0]=2 3070 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [2,0,0,0,0,0|0,1,0]=3 3071 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [2,0,0,0,0,0|0,1,0]=3 3072 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [2,0,0,0,0,0|2,0,0]=4 3073 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [2,0,0,0,0,0|2,0,0]=4 3074 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [2,0,0,0,0,0|1,1,0]=4 3075 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [2,0,0,0,0,0|2,0,0]=4 3076 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [2,0,0,0,0,0|1,1,0]=4 3077 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [2,0,0,0,0,0|2,0,0]=4 3078 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [2,0,0,0,0,0|2,0,0]=4 3079 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [2,0,0,0,0,0|2,0,0]=4 3080 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [2,0,0,0,0,0|2,0,0]=4 3081 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [2,0,0,0,0,0|2,0,0]=4 3082 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [2,0,0,0,0,0|2,0,0]=4 3083 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [2,0,0,0,0,0|2,0,0]=4 3084 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [2,0,0,0,0,0|1,0,0]=3 3085 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [2,0,0,0,0,0|1,0,0]=3 3086 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [2,0,0,0,0,0|1,0,0]=3 3087 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [2,0,0,0,0,0|1,0,0]=3 3088 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [2,0,0,0,0,0|1,1,0]=4 3089 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [2,0,0,0,0,0|1,1,0]=4 3090 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [2,0,0,0,0,0|1,1,0]=4 3091 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [2,0,0,0,0,0|1,1,0]=4 3092 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [2,0,0,0,0,0|2,0,0]=4 3093 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [2,0,0,0,0,0|2,0,0]=4 3094 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [2,0,0,0,0,0|2,0,0]=4 3095 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [2,0,0,0,0,0|2,0,0]=4 3096 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [2,0,0,0,0,0|2,0,0]=4 3097 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [2,0,0,0,0,0|2,0,0]=4 3098 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [2,0,0,0,0,0|2,0,0]=4 3099 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [2,0,0,0,0,0|2,0,0]=4 3100 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [2,0,0,0,0,0|2,0,0]=4 3101 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [2,0,0,0,0,0|1,0,1]=4 3102 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [2,0,0,0,0,0|1,0,1]=4 3103 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [2,0,0,0,0,0|2,0,0]=4 3104 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [2,0,0,0,0,0|1,0,0]=3 3105 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [2,0,0,0,0,0|0,0,0]=2 3106 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [2,0,0,0,0,0|0,1,0]=3 3107 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [2,0,0,0,0,0|2,0,0]=4 3108 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [2,0,0,0,0,0|2,0,0]=4 3109 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [2,0,0,0,0,0|1,1,0]=4 3110 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [2,0,0,0,0,0|2,0,0]=4 3111 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [2,0,0,0,0,0|1,1,0]=4 3112 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [2,0,0,0,0,0|2,0,0]=4 3113 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [2,0,0,0,0,0|2,0,0]=4 3114 B12R0.1 C/C=C/C=C/COCC(=O)NCC 34a_100016283227_100000183381 [0,1,1,0,0,0|2,0,0]=4 3115 B12R0.1 C/C=C/C=C/COCC(=O)OCC 34a_100016283227_100000188475 [0,1,1,0,0,0|1,0,0]=3 3116 B12R0.1 C/C=C/COCCCC(=O)OCC 34a_100016270725_100009991533 [0,1,1,0,0,0|0,0,2]=4 3117 B12R0.1 C/C=C/COCCCC(=O)OCC 7a_100012001163_100102629194 [0,1,1,0,0,0|0,0,2]=4 3118 B12R0.1 C=CCCOCCCC(=O)OCC 34a_100011205117_100009991533 [0,1,1,0,0,0|0,0,2]=4 3119 B12R0.1 C=CCCOCCCC(=O)OCC 7a_100012001163_100000754431 [0,1,1,0,0,0|0,0,2]=4 3120 B12R0.1 C=CCOCCCCC(=O)OCC 34a_200000210373_100000750268 [0,1,1,0,0,0|0,0,2]=4 3121 B12R0.1 C=CCOCCOCC(=O)OCC 34a_100000037705_100000188475 [0,1,1,0,0,0|0,0,2]=4 3122 B12R0.1 C=CCOCCOCC(=O)OCC 34a_200000210373_100000088970 [0,1,1,0,0,0|0,0,2]=4 3123 B12R0.1 C=CCOCCOCC(=O)OCC 7a_100000037705_100000188475 [0,1,1,0,0,0|0,0,2]=4 3124 B12R0.1 C=CCOCCSCC(=O)OCC 7a_200000230590_100015514636 [0,1,1,0,0,0|0,0,2]=4 3125 B12R0.1 CC=CCOCCCC(=O)OCC 7a_100012001163_100000070051 [0,1,1,0,0,0|0,0,2]=4 3126 B12R0.101 C/C=C/CC(=O)CCC(=O)OCC 1458a_100000183558_100102629194 [0,1,1,0,0,0|1,0,1]=4 3127 B12R0.101 C=CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000754431 [0,1,1,0,0,0|1,0,1]=4 3128 B12R0.101 C=CCNC(=O)CCC(=O)OCC 1626a_100020586998_100000183558 [0,1,1,0,0,0|1,0,1]=4 3129 B12R0.101 C=CCNC(=O)CCC(=O)OCC 240690a_100020586998_100000183558 [0,1,1,0,0,0|1,0,1]=4 3130 B12R0.101 C=CCOC(C)CCC(=O)OCC 34a_200000210373_100000748298 [0,1,1,0,0,0|0,0,2]=4 3131 B12R0.101 CC=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000070051 [0,1,1,0,0,0|1,0,1]=4 3132 B12R0.239 C/C=C/C=CC(=O)CC(=O)OCC 1458a_100000185730_100000188475 [0,1,1,0,0,0|1,0,1]=4 3133 B12R0.239 C=CCOC[C@@H](O)CC(=O)OCC 34a_200000210373_100000688340 [0,1,1,0,0,0|0,0,2]=4 3134 B12R0.276 C=CC(=O)CCCCC(=O)OCC 1458a_100000185746_100000750268 [0,1,1,0,0,0|1,0,1]=4 3135 B12R0.276 C=CC(C)OCCCC(=O)OCC 34a_100000695699_100009991533 [0,1,1,0,0,0|0,0,2]=4 3136 B12R0.277 C=C(C)COCCCC(=O)OCC 34a_100000210245_100009991533 [0,1,1,0,0,0|0,0,2]=4 3137 B12R0.277 C=C(C)COCCCC(=O)OCC 7a_100012001163_100000748629 [0,1,1,0,0,0|0,0,2]=4 3138 B12R0.277 C=C(F)COCCCC(=O)OCC 34a_200010262243_100009991533 [0,1,1,0,0,0|0,0,2]=4 3139 B12R0.277 C=C(F)COCCCC(=O)OCC 7a_100012001163_100000042424 [0,1,1,0,0,0|0,0,2]=4 3140 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,1,1,0,0,0|1,0,1]=4 3141 B12R0.285 CC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100000210699 [0,1,1,0,0,0|2,0,0]=4 3142 B12R0.285 CCOC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215271 [0,1,1,0,0,0|1,0,1]=4 3143 B12R0.285 CCOC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215271 [0,1,1,0,0,0|1,0,1]=4 3144 B12R0.285 CCOC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215271 [0,1,1,0,0,0|1,0,1]=4 3145 B12R0.69 C=CCC(=O)C(C)CC(=O)OCC 1458a_100000210193_100009817359 [0,1,1,0,0,0|0,0,2]=4 3146 B12R0.69 CC=CC(=O)C(C)CC(=O)OCC 1458a_100000210699_100009817359 [0,1,1,0,0,0|0,0,2]=4 3147 B12R0.69 CCOC(=O)CC(C)C(=O)C=CBr 1458a_100016273825_100009817359 [0,1,1,0,0,0|1,0,1]=4 3148 B12R0.69 CCOC(=O)CC(C)C(=O)C=CCl 1458a_200016279998_100009817359 [0,1,1,0,0,0|1,0,1]=4 3149 B12R0.69 CCOC(=O)CC(C)C(=O)C=CI 1458a_100016256311_100009817359 [0,1,1,0,0,0|1,0,1]=4 3150 B12R0.79 C=CC(=O)C(C)CCC(=O)OCC 1458a_100000185746_100000748298 [0,1,1,0,0,0|1,0,1]=4 3151 B12R0.79 C=CC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000185746 [0,1,1,0,0,0|2,0,0]=4 3152 B12R0.79 C=CC(=O)N(C)CCC(=O)OCC 240690a_100000745921_200121576911 [0,1,1,0,0,0|2,0,0]=4 3153 B12R0.272 C=C(C)CC(=O)CCC(=O)OCC 1458a_100000183558_100000748629 [0,1,1,0,0,0|0,0,2]=4 3154 B12R0.272 C=C(F)CC(=O)CCC(=O)OCC 1458a_100000183558_100009893438 [0,1,1,0,0,0|0,0,2]=4 3155 B12R0.272 C=CCC(=O)CCC(=O)OC(C)C 1458a_100000210193_100000760027 [0,1,1,0,0,0|0,0,2]=4 3156 B12R0.272 CC(C)OC(=O)CCC(=O)C=CBr 1458a_100016273825_100000760027 [0,1,1,0,0,0|1,0,1]=4 3157 B12R0.272 CC(C)OC(=O)CCC(=O)C=CCl 1458a_200016279998_100000760027 [0,1,1,0,0,0|1,0,1]=4 3158 B12R0.272 CC(C)OC(=O)CCC(=O)C=CI 1458a_100016256311_100000760027 [0,1,1,0,0,0|1,0,1]=4 3159 B12R0.272 CC=CC(=O)CCC(=O)OC(C)C 1458a_100000210699_100000760027 [0,1,1,0,0,0|0,0,2]=4 3160 B12R1.7 CCCNCCc1ccc(o1)C 2230a_100000739271_100000210303 [1,1,0,0,0,0|2,0,0]=4 3161 B12R1.7 CCCNCCc1ccc(o1)C 34a_100000739271_100000210303 [1,1,0,0,0,0|2,0,0]=4 3162 B12R1.7 CCCOCCc1ccc(o1)C 34a_100012161071_100000210303 [1,1,0,0,0,0|2,0,0]=4 3163 B12R1.7 CCCOCCc1ccc(o1)C 7a_100012161071_100000210303 [1,1,0,0,0,0|2,0,0]=4 3164 B12R1.35 CCCNCC(O)c1ccco1 2230a_100000738650_100000210303 [1,1,0,0,0,0|2,0,0]=4 3165 B12R1.37 BrCCOCCCc1cccs1 34a_100000211926_100010992444 [1,1,0,0,0,0|0,1,1]=4 3166 B12R1.37 CC/C=C\CCSc1ccco1 62a_100009814098_100015370543 [1,1,0,0,0,0|1,0,0]=3 3167 B12R1.37 CC/C=C\CCSc1ccco1 62a_100015370543_100009814098 [1,1,0,0,0,0|1,0,0]=3 3168 B12R1.37 CC/C=C\CCSc1cccs1 62a_100011215356_100015370543 [1,1,0,0,0,0|1,1,0]=4 3169 B12R1.37 CC/C=C\CCSc1cccs1 62a_100015370543_100011215356 [1,1,0,0,0,0|1,1,0]=4 3170 B12R1.37 CC/C=C\CCSc1cnco1 62a_100015370543_100020591547 [1,1,0,0,0,0|2,0,0]=4 3171 B12R1.37 CC/C=C\CCSc1cnco1 62a_100020591547_100015370543 [1,1,0,0,0,0|2,0,0]=4 3172 B12R1.37 CC/C=C\CCSc1ncco1 62a_100011787736_100015370543 [1,1,0,0,0,0|2,0,0]=4 3173 B12R1.37 CC/C=C\CCSc1ncco1 62a_100015370543_100011787736 [1,1,0,0,0,0|2,0,0]=4 3174 B12R1.37 CC/C=C\CNCc1ccco1 2230a_100000185738_100103147603 [1,1,0,0,0,0|1,0,0]=3 3175 B12R1.37 CC/C=C\CNCc1ccco1 34a_100000185738_100103147603 [1,1,0,0,0,0|1,0,0]=3 3176 B12R1.37 CC/C=C\CNCc1cccs1 2230a_100000211653_100103147603 [1,1,0,0,0,0|1,1,0]=4 3177 B12R1.37 CC/C=C\CNCc1ncco1 2230a_100016994969_100103147603 [1,1,0,0,0,0|2,0,0]=4 3178 B12R1.37 CC/C=C\COCc1ccco1 34a_100000210059_100103147603 [1,1,0,0,0,0|1,0,0]=3 3179 B12R1.37 CC/C=C\COCc1cccs1 34a_100000211240_100103147603 [1,1,0,0,0,0|1,1,0]=4 3180 B12R1.37 CC/C=C\COCc1ccno1 34a_100000740478_100103147603 [1,1,0,0,0,0|2,0,0]=4 3181 B12R1.37 CC/C=C\COCc1ncco1 34a_100000062594_100103147603 [1,1,0,0,0,0|2,0,0]=4 3182 B12R1.37 CC/C=C\COCc1ncco1 34a_100016268518_103436540062 [1,1,0,0,0,0|2,0,0]=4 3183 B12R1.37 CC/C=C\CSCc1ncco1 62a_100103147603_103436540062 [1,1,0,0,0,0|2,0,0]=4 3184 B12R1.37 CC/C=C\CSCc1ncco1 62a_103436540062_100103147603 [1,1,0,0,0,0|2,0,0]=4 3185 B12R1.37 CCC#CCNCc1ccco1 2230a_100000185738_100009813939 [1,1,0,0,0,0|1,0,1]=4 3186 B12R1.37 CCC#CCNCc1ccco1 34a_100000185738_100009813939 [1,1,0,0,0,0|1,0,1]=4 3187 B12R1.37 CCC#CCOCc1ccco1 34a_100000210059_100009813939 [1,1,0,0,0,0|1,0,1]=4 3188 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [1,1,0,0,0,0|1,0,1]=4 3189 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [1,1,0,0,0,0|1,0,1]=4 3190 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [1,1,0,0,0,0|1,0,1]=4 3191 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [1,1,0,0,0,0|1,0,1]=4 3192 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [1,1,0,0,0,0|1,0,1]=4 3193 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [1,1,0,0,0,0|1,0,1]=4 3194 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [1,1,0,0,0,0|1,0,1]=4 3195 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [1,1,0,0,0,0|1,0,1]=4 3196 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [1,1,0,0,0,0|1,0,1]=4 3197 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [1,1,0,0,0,0|0,1,1]=4 3198 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [1,1,0,0,0,0|0,1,1]=4 3199 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [1,1,0,0,0,0|0,1,1]=4 3200 B12R1.37 CCCOCCSc1ccco1 62a_100009814098_100011215938 [1,1,0,0,0,0|1,0,1]=4 3201 B12R1.37 CCCOCCSc1ccco1 62a_100011215938_100009814098 [1,1,0,0,0,0|1,0,1]=4 3202 B12R1.37 CCNCCSCc1ccco1 2230a_100000184675_100000210202 [1,1,0,0,0,0|1,0,1]=4 3203 B12R1.37 CCNCCSCc1ccco1 7a_100000184675_100000210202 [1,1,0,0,0,0|1,0,1]=4 3204 B12R1.37 CCOCCCSc1ccco1 62a_100009814098_100012232248 [1,1,0,0,0,0|0,0,1]=3 3205 B12R1.37 CCOCCCSc1ccco1 62a_100012232248_100009814098 [1,1,0,0,0,0|0,0,1]=3 3206 B12R1.37 CCOCCCSc1cccs1 62a_100011215356_100012232248 [1,1,0,0,0,0|0,1,1]=4 3207 B12R1.37 CCOCCCSc1cccs1 62a_100012232248_100011215356 [1,1,0,0,0,0|0,1,1]=4 3208 B12R1.37 CCOCCCSc1cnco1 62a_100012232248_100020591547 [1,1,0,0,0,0|1,0,1]=4 3209 B12R1.37 CCOCCCSc1cnco1 62a_100020591547_100012232248 [1,1,0,0,0,0|1,0,1]=4 3210 B12R1.37 CCOCCCSc1ncco1 62a_100011787736_100012232248 [1,1,0,0,0,0|1,0,1]=4 3211 B12R1.37 CCOCCCSc1ncco1 62a_100012232248_100011787736 [1,1,0,0,0,0|1,0,1]=4 3212 B12R1.37 CCOCCNCc1ccco1 207a_100011200944_100000186105 [1,1,0,0,0,0|0,0,1]=3 3213 B12R1.37 CCOCCNCc1ccco1 2230a_100000185738_100011215890 [1,1,0,0,0,0|0,0,1]=3 3214 B12R1.37 CCOCCNCc1ccco1 270004a_102516460346_100000186105 [1,1,0,0,0,0|0,0,1]=3 3215 B12R1.37 CCOCCNCc1ccco1 34a_100000185738_100000210147 [1,1,0,0,0,0|0,0,1]=3 3216 B12R1.37 CCOCCNCc1cccs1 207a_100011200944_100000209959 [1,1,0,0,0,0|0,1,1]=4 3217 B12R1.37 CCOCCNCc1cccs1 2230a_100000211653_100011215890 [1,1,0,0,0,0|0,1,1]=4 3218 B12R1.37 CCOCCNCc1cccs1 270004a_102516460346_100000209959 [1,1,0,0,0,0|0,1,1]=4 3219 B12R1.37 CCOCCNCc1cnco1 270004a_102516460346_100000064291 [1,1,0,0,0,0|1,0,1]=4 3220 B12R1.37 CCOCCNCc1ncco1 2230a_100016994969_100011215890 [1,1,0,0,0,0|1,0,1]=4 3221 B12R1.37 CCOCCNCc1ncco1 2230a_102516460346_103436540062 [1,1,0,0,0,0|1,0,1]=4 3222 B12R1.37 CCOCCNCc1ncco1 270004a_102516460346_100000064290 [1,1,0,0,0,0|1,0,1]=4 3223 B12R1.37 CCOCCNCc1ncco1 34a_102516460346_103436540062 [1,1,0,0,0,0|1,0,1]=4 3224 B12R1.37 CCOCCOCc1ccco1 34a_100000210059_100000210147 [1,1,0,0,0,0|0,0,1]=3 3225 B12R1.37 CCOCCOCc1cccs1 34a_100000211240_100000210147 [1,1,0,0,0,0|0,1,1]=4 3226 B12R1.37 CCOCCOCc1ccno1 34a_100000740478_100000210147 [1,1,0,0,0,0|1,0,1]=4 3227 B12R1.37 CCOCCOCc1ncco1 34a_100000062594_100000210147 [1,1,0,0,0,0|1,0,1]=4 3228 B12R1.37 CCOCCOCc1ncco1 34a_100000210136_103436540062 [1,1,0,0,0,0|1,0,1]=4 3229 B12R1.37 CCOCCOCc1ncco1 7a_100000210136_103436540062 [1,1,0,0,0,0|1,0,1]=4 3230 B12R1.37 CCOCCSCc1ncco1 62a_100000210147_103436540062 [1,1,0,0,0,0|1,0,1]=4 3231 B12R1.37 CCOCCSCc1ncco1 62a_103436540062_100011215890 [1,1,0,0,0,0|1,0,1]=4 3232 B12R1.37 CCOCSCCc1cccs1 62a_100000739092_100000748579 [1,1,0,0,0,0|0,1,1]=4 3233 B12R1.37 CCOCSCCc1cccs1 62a_100000748579_100000739092 [1,1,0,0,0,0|0,1,1]=4 3234 B12R1.37 CCSCCNCc1ccco1 207a_100000106463_100000186105 [1,1,0,0,0,0|0,1,1]=4 3235 B12R1.37 CCSCCNCc1ccco1 2230a_100000185738_100000757381 [1,1,0,0,0,0|0,1,1]=4 3236 B12R1.37 CCSCCNCc1ccco1 270004a_100000106463_100000186105 [1,1,0,0,0,0|0,1,1]=4 3237 B12R1.37 CCSCCNCc1ccco1 34a_100000185738_100000757381 [1,1,0,0,0,0|0,1,1]=4 3238 B12R1.37 CCSCCOCc1ccco1 34a_100000210059_100000757381 [1,1,0,0,0,0|0,1,1]=4 3239 B12R1.37 COCCNCCc1ccco1 2230a_100000694680_100011201679 [1,1,0,0,0,0|2,0,0]=4 3240 B12R1.37 COCCNCCc1ccco1 34a_100000694680_100011201679 [1,1,0,0,0,0|2,0,0]=4 3241 B12R1.37 CSCCNCCc1ccco1 2230a_100000694680_100000751147 [1,1,0,0,0,0|2,0,0]=4 3242 B12R1.37 CSCCNCCc1ccco1 34a_100000694680_100000212216 [1,1,0,0,0,0|2,0,0]=4 3243 B12R1.37 CSCOCCCc1cccs1 34a_100011713143_100011218213 [1,1,0,0,0,0|0,1,1]=4 3244 B12R1.37 FCCCNCCc1ccco1 2230a_100000694680_100011934791 [1,1,0,0,0,0|2,0,0]=4 3245 B12R1.37 FCCCNCCc1ccco1 34a_100000694680_100011934791 [1,1,0,0,0,0|2,0,0]=4 3246 B12R1.37 FCCOCCCc1cccs1 34a_100011713143_100011217306 [1,1,0,0,0,0|0,1,1]=4 3247 B12R1.37 FCCOCCCc1cccs1 7a_100011713143_100011217306 [1,1,0,0,0,0|0,1,1]=4 3248 B12R1.37 NCCOCCCc1cccs1 34a_100000210304_100010992444 [1,1,0,0,0,0|0,1,1]=4 3249 B12R1.37 OCCCNCCc1ccco1 2230a_100000694680_100000230001 [1,1,0,0,0,0|2,0,0]=4 3250 B12R1.37 OCCCNCCc1ccco1 34a_100000694680_100000230001 [1,1,0,0,0,0|2,0,0]=4 3251 B12R1.37 OCCOCCCc1cccs1 34a_100011713143_100000211926 [1,1,0,0,0,0|0,1,1]=4 3252 B12R1.37 OCCOCCCc1cccs1 7a_100011713143_100000211926 [1,1,0,0,0,0|0,1,1]=4 3253 B12R1.37 OCCOCCSc1ccco1 62a_100009814098_100011215305 [1,1,0,0,0,0|1,0,1]=4 3254 B12R1.37 OCCOCCSc1ccco1 62a_100011215305_100009814098 [1,1,0,0,0,0|1,0,1]=4 3255 B12R1.53 CCCNC(C)Cc1ccco1 270004a_100020643023_100011216958 [1,1,0,0,0,0|2,0,0]=4 3256 B12R1.53 CCCOC(C)Cc1ccco1 34a_100011803939_100000210303 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.53 CCCOC(C)Cc1ccco1 7a_100011803939_100000210303 [1,1,0,0,0,0|2,0,0]=4 3258 B12R1.53 CCOCN(C)Cc1ccco1 269982a_100000185268_100000739092 [1,1,0,0,0,0|1,0,1]=4 3259 B12R1.255 CC(C)CNCCc1ccco1 2230a_100000694680_100000210760 [1,1,0,0,0,0|2,0,0]=4 3260 B12R1.255 CC(C)CNCCc1ccco1 270004a_100000694680_100000210432 [1,1,0,0,0,0|2,0,0]=4 3261 B12R1.255 CC(C)CNCCc1ccco1 34a_100000694680_100000210624 [1,1,0,0,0,0|2,0,0]=4 3262 B12R1.255 CC(C)OCCCc1cccs1 34a_100000212225_100010992444 [1,1,0,0,0,0|0,1,1]=4 3263 B12R1.255 CC(C)OCCCc1cccs1 34a_100011713143_100000210206 [1,1,0,0,0,0|0,1,1]=4 3264 B12R1.255 CC(C)OCCCc1cccs1 7a_100011713143_100000210206 [1,1,0,0,0,0|0,1,1]=4 3265 B12R1.255 CC(C)OCCSc1ccco1 62a_100000211751_100009814098 [1,1,0,0,0,0|1,0,1]=4 3266 B12R1.255 CC(C)OCCSc1ccco1 62a_100009814098_100000211751 [1,1,0,0,0,0|1,0,1]=4 3267 B12R1.255 CC(C)OCNCc1ccco1 2230a_100000185738_100000709892 [1,1,0,0,0,0|1,0,1]=4 3268 B12R1.255 CC(C)OCNCc1ccco1 34a_100000185738_100000709892 [1,1,0,0,0,0|1,0,1]=4 3269 B12R1.255 CC(C)OCOCc1ccco1 34a_100000210059_100000709892 [1,1,0,0,0,0|1,0,1]=4 3270 B12R1.255 CC(O)CNCCc1ccco1 2230a_100000694680_100011218427 [1,1,0,0,0,0|2,0,0]=4 3271 B12R1.255 CC(O)CNCCc1ccco1 34a_100000694680_100011218427 [1,1,0,0,0,0|2,0,0]=4 3272 B12R1.255 C[C@@H](O)CNCCc1ccco1 2230a_100000694680_100009817552 [1,1,0,0,0,0|2,0,0]=4 3273 B12R1.255 C[C@@H](O)CNCCc1ccco1 34a_100000694680_100009817552 [1,1,0,0,0,0|2,0,0]=4 3274 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [1,1,0,0,0,0|2,0,0]=4 3275 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [1,1,0,0,0,0|2,0,0]=4 3276 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [1,1,0,0,0,0|2,0,0]=4 3277 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [1,1,0,0,0,0|2,0,0]=4 3278 B12R1.477 CCC(C)NCCc1ccco1 2230a_100000694680_100000758301 [1,1,0,0,0,0|2,0,0]=4 3279 B12R1.477 CCC(C)NCCc1ccco1 34a_100000694680_100011215416 [1,1,0,0,0,0|2,0,0]=4 3280 B12R1.15 CCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210414_200011262396 [1,1,0,0,0,0|1,0,1]=4 3281 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [1,1,0,0,0,0|0,0,1]=3 3282 B12R1.15 CCC(=O)CC(=O)c1cccs1 1458a_100000210414_100000211436 [1,1,0,0,0,0|0,1,1]=4 3283 B12R1.15 CCC(=O)CC(C)n1cccn1 1458a_100011311474_100000210202 [1,1,0,0,0,0|2,0,0]=4 3284 B12R1.15 CCC(=O)NC(C)c1cccs1 11a_100000703493_100000210414 [1,1,0,0,0,0|1,1,0]=4 3285 B12R1.15 CCC(=O)NC(C)c1cccs1 1626a_100000703493_100000210414 [1,1,0,0,0,0|1,1,0]=4 3286 B12R1.15 CCC(=O)NC(C)c1cccs1 240690a_100000703493_100000210414 [1,1,0,0,0,0|1,1,0]=4 3287 B12R1.15 CCC(=O)NC(C)c1cccs1 527a_100000703493_100000210414 [1,1,0,0,0,0|1,1,0]=4 3288 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210414 [1,1,0,0,0,0|1,0,0]=3 3289 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210414 [1,1,0,0,0,0|1,0,0]=3 3290 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210414 [1,1,0,0,0,0|1,0,0]=3 3291 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210414 [1,1,0,0,0,0|1,0,0]=3 3292 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100102657272_100160469435 [1,1,0,0,0,0|2,0,0]=4 3293 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100160469435_106832991635 [1,1,0,0,0,0|2,0,0]=4 3294 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100102657272_100160469435 [1,1,0,0,0,0|2,0,0]=4 3295 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100102657272 [1,1,0,0,0,0|2,0,0]=4 3296 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100102657272 [1,1,0,0,0,0|2,0,0]=4 3297 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_106832991638_100160469435 [1,1,0,0,0,0|2,0,0]=4 3298 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 240690a_100160469435_100000210174 [1,1,0,0,0,0|2,0,0]=4 3299 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 527a_100160469435_100000210174 [1,1,0,0,0,0|2,0,0]=4 3300 B12R1.15 O=C(CO)CC(=O)c1ccco1 1458a_100000210174_100000211439 [1,1,0,0,0,0|1,0,1]=4 3301 B12R1.26 CCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100000211110 [1,1,0,0,0,0|0,0,2]=4 3302 B12R1.26 CCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210202 [1,1,0,0,0,0|0,0,2]=4 3303 B12R1.26 CCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000210202 [1,1,0,0,0,0|0,0,2]=4 3304 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210202 [1,1,0,0,0,0|0,0,2]=4 3305 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000211110 [1,1,0,0,0,0|0,0,2]=4 3306 B12R1.26 CCC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000210202 [1,1,0,0,0,0|1,0,0]=3 3307 B12R1.26 CCC(=O)CCc1csc(n1)C 1458a_100000210414_100000695623 [1,1,0,0,0,0|2,0,0]=4 3308 B12R1.26 CCC(=O)CCn1cc(cn1)C 1458a_100000743555_100000210202 [1,1,0,0,0,0|2,0,0]=4 3309 B12R1.26 CCC(=O)CCn1cc(cn1)Cl 1458a_100000210414_100011353933 [1,1,0,0,0,0|2,0,0]=4 3310 B12R1.26 CCC(=O)CCn1cc(cn1)Cl 1458a_100000743157_100000210202 [1,1,0,0,0,0|2,0,0]=4 3311 B12R1.26 CCC(=O)CCn1cc(cn1)I 1458a_100012072392_100000210202 [1,1,0,0,0,0|2,0,0]=4 3312 B12R1.26 CCC(=O)CCn1ccc(n1)C 1458a_100000210414_200011934056 [1,1,0,0,0,0|2,0,0]=4 3313 B12R1.26 CCC(=O)CCn1ccc(n1)C 1458a_100000759146_100000210202 [1,1,0,0,0,0|2,0,0]=4 3314 B12R1.26 CCC(=O)CSc1cc(cs1)C 62a_100000747405_100009876951 [1,1,0,0,0,0|1,1,0]=4 3315 B12R1.26 CCC(=O)CSc1cc(cs1)C 62a_100009876951_100000747405 [1,1,0,0,0,0|1,1,0]=4 3316 B12R1.26 CCC(=O)CSc1ccc(s1)Br 62a_100000747405_100010197418 [1,1,0,0,0,0|1,1,0]=4 3317 B12R1.26 CCC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747405 [1,1,0,0,0,0|1,1,0]=4 3318 B12R1.26 CCC(=O)CSc1ccc(s1)C 62a_100000031368_100000747405 [1,1,0,0,0,0|1,1,0]=4 3319 B12R1.26 CCC(=O)CSc1ccc(s1)C 62a_100000747405_100000031368 [1,1,0,0,0,0|1,1,0]=4 3320 B12R1.26 CCC(=O)NCc1cc(cs1)Br 11a_100000741024_100000210414 [1,1,0,0,0,0|1,1,0]=4 3321 B12R1.26 CCC(=O)NCc1cc(cs1)Br 1626a_100000741024_100000210414 [1,1,0,0,0,0|1,1,0]=4 3322 B12R1.26 CCC(=O)NCc1cc(cs1)Br 240690a_100000741024_100000210414 [1,1,0,0,0,0|1,1,0]=4 3323 B12R1.26 CCC(=O)NCc1cc(cs1)Br 527a_100000741024_100000210414 [1,1,0,0,0,0|1,1,0]=4 3324 B12R1.26 CCC(=O)NCc1cc(cs1)C 11a_100015204214_100000210414 [1,1,0,0,0,0|1,1,0]=4 3325 B12R1.26 CCC(=O)NCc1cc(cs1)C 1626a_100015204214_100000210414 [1,1,0,0,0,0|1,1,0]=4 3326 B12R1.26 CCC(=O)NCc1cc(cs1)C 240690a_100015204214_100000210414 [1,1,0,0,0,0|1,1,0]=4 3327 B12R1.26 CCC(=O)NCc1cc(cs1)C 527a_100015204214_100000210414 [1,1,0,0,0,0|1,1,0]=4 3328 B12R1.26 CCC(=O)NCc1cc(no1)Br 11a_100015193020_100000210414 [1,1,0,0,0,0|2,0,0]=4 3329 B12R1.26 CCC(=O)NCc1cc(no1)Br 240690a_100015193020_100000210414 [1,1,0,0,0,0|2,0,0]=4 3330 B12R1.26 CCC(=O)NCc1cc(no1)Br 527a_100015193020_100000210414 [1,1,0,0,0,0|2,0,0]=4 3331 B12R1.26 CCC(=O)NCc1cc(no1)C 11a_100000745748_100000210414 [1,1,0,0,0,0|2,0,0]=4 3332 B12R1.26 CCC(=O)NCc1cc(no1)C 240690a_100000745748_100000210414 [1,1,0,0,0,0|2,0,0]=4 3333 B12R1.26 CCC(=O)NCc1cc(no1)C 527a_100000745748_100000210414 [1,1,0,0,0,0|2,0,0]=4 3334 B12R1.26 CCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210414 [1,1,0,0,0,0|1,0,0]=3 3335 B12R1.26 CCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210414 [1,1,0,0,0,0|1,0,0]=3 3336 B12R1.26 CCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210414 [1,1,0,0,0,0|1,0,0]=3 3337 B12R1.26 CCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000210414 [1,1,0,0,0,0|1,0,0]=3 3338 B12R1.26 CCC(=O)NCc1ccc(o1)C 11a_100011194323_100000210414 [1,1,0,0,0,0|1,0,0]=3 3339 B12R1.26 CCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210414 [1,1,0,0,0,0|1,0,0]=3 3340 B12R1.26 CCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210414 [1,1,0,0,0,0|1,0,0]=3 3341 B12R1.26 CCC(=O)NCc1ccc(o1)C 527a_100011194323_100000210414 [1,1,0,0,0,0|1,0,0]=3 3342 B12R1.26 CCC(=O)NCc1ccc(s1)Br 11a_100000737305_100000210414 [1,1,0,0,0,0|1,1,0]=4 3343 B12R1.26 CCC(=O)NCc1ccc(s1)Br 1626a_100000737305_100000210414 [1,1,0,0,0,0|1,1,0]=4 3344 B12R1.26 CCC(=O)NCc1ccc(s1)Br 240690a_100000737305_100000210414 [1,1,0,0,0,0|1,1,0]=4 3345 B12R1.26 CCC(=O)NCc1ccc(s1)Br 527a_100000737305_100000210414 [1,1,0,0,0,0|1,1,0]=4 3346 B12R1.26 CCC(=O)NCc1ccc(s1)C 11a_100000238518_100000210414 [1,1,0,0,0,0|1,1,0]=4 3347 B12R1.26 CCC(=O)NCc1ccc(s1)C 1626a_100000238518_100000210414 [1,1,0,0,0,0|1,1,0]=4 3348 B12R1.26 CCC(=O)NCc1ccc(s1)C 240690a_100000238518_100000210414 [1,1,0,0,0,0|1,1,0]=4 3349 B12R1.26 CCC(=O)NCc1ccc(s1)C 527a_100000238518_100000210414 [1,1,0,0,0,0|1,1,0]=4 3350 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 11a_100000737310_100000210414 [1,1,0,0,0,0|1,1,0]=4 3351 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100000210414 [1,1,0,0,0,0|1,1,0]=4 3352 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100000210414 [1,1,0,0,0,0|1,1,0]=4 3353 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 527a_100000737310_100000210414 [1,1,0,0,0,0|1,1,0]=4 3354 B12R1.26 CCC(=O)NCc1ncc(o1)C 11a_100138411809_100000210414 [1,1,0,0,0,0|2,0,0]=4 3355 B12R1.26 CCC(=O)NCc1ncc(o1)C 1626a_100138411809_100000210414 [1,1,0,0,0,0|2,0,0]=4 3356 B12R1.26 CCC(=O)NCc1ncc(o1)C 240690a_100138411809_100000210414 [1,1,0,0,0,0|2,0,0]=4 3357 B12R1.26 CCC(=O)NCc1ncc(o1)C 527a_100138411809_100000210414 [1,1,0,0,0,0|2,0,0]=4 3358 B12R1.26 CNC(=O)CCc1cc(no1)Cl 11a_106832991635_100000022696 [1,1,0,0,0,0|2,0,0]=4 3359 B12R1.26 CNC(=O)CCc1cc(no1)Cl 1626a_100102657272_100000022696 [1,1,0,0,0,0|2,0,0]=4 3360 B12R1.26 CNC(=O)CCc1cc(no1)Cl 240690a_100102657272_100000022696 [1,1,0,0,0,0|2,0,0]=4 3361 B12R1.26 CNC(=O)CCc1cc(no1)Cl 527a_100102657272_100000022696 [1,1,0,0,0,0|2,0,0]=4 3362 B12R1.26 CNC(=O)NCc1ccc(o1)Br 2708a_100000708654_106832991635 [1,1,0,0,0,0|2,0,0]=4 3363 B12R1.26 CNC(=O)NCc1ccc(o1)Br 2708a_100102657272_100000708654 [1,1,0,0,0,0|2,0,0]=4 3364 B12R1.26 CNC(=O)NCc1ccc(o1)Br 273464a_100000708654_100102657272 [1,1,0,0,0,0|2,0,0]=4 3365 B12R1.26 CNC(=O)NCc1ccc(o1)Br 273464a_100102657272_100000708654 [1,1,0,0,0,0|2,0,0]=4 3366 B12R1.26 CNC(=O)NCc1ccc(o1)Br 512a_100000708654_100102657272 [1,1,0,0,0,0|2,0,0]=4 3367 B12R1.26 CNC(=O)NCc1ccc(o1)Br 512a_106832991638_100000708654 [1,1,0,0,0,0|2,0,0]=4 3368 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100011194323_106832991635 [1,1,0,0,0,0|2,0,0]=4 3369 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100102657272_100011194323 [1,1,0,0,0,0|2,0,0]=4 3370 B12R1.26 CNC(=O)NCc1ccc(o1)C 273464a_100011194323_100102657272 [1,1,0,0,0,0|2,0,0]=4 3371 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_100011194323_100102657272 [1,1,0,0,0,0|2,0,0]=4 3372 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_106832991638_100011194323 [1,1,0,0,0,0|2,0,0]=4 3373 B12R1.26 COC(=O)/C=C/c1ccc(o1)O 271570a_203496583355_100000150861 [1,1,0,0,0,0|0,0,2]=4 3374 B12R1.26 COC(=O)CCc1nc(no1)C 270196a_100000212224_100000187943 [1,1,0,0,0,0|2,0,0]=4 3375 B12R1.26 COC(=O)CCn1cc(cn1)O 271570a_203496583355_200012072400 [1,1,0,0,0,0|2,0,0]=4 3376 B12R1.26 COC(=O)CSc1cc(cs1)C 62a_100000747449_100009876951 [1,1,0,0,0,0|1,1,0]=4 3377 B12R1.26 COC(=O)CSc1cc(cs1)C 62a_100009876951_100000747449 [1,1,0,0,0,0|1,1,0]=4 3378 B12R1.26 COC(=O)CSc1ccc(s1)Br 62a_100000747449_100010197418 [1,1,0,0,0,0|1,1,0]=4 3379 B12R1.26 COC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747449 [1,1,0,0,0,0|1,1,0]=4 3380 B12R1.26 COC(=O)CSc1ccc(s1)C 62a_100000031368_100000747449 [1,1,0,0,0,0|1,1,0]=4 3381 B12R1.26 COC(=O)CSc1ccc(s1)C 62a_100000747449_100000031368 [1,1,0,0,0,0|1,1,0]=4 3382 B12R1.26 Cc1ccc(o1)CNC(=O)CO 240690a_100011194323_100000210174 [1,1,0,0,0,0|2,0,0]=4 3383 B12R1.26 Cc1ccc(o1)CNC(=O)CO 527a_100011194323_100000210174 [1,1,0,0,0,0|2,0,0]=4 3384 B12R1.26 O=C(CF)CCc1cc(no1)Cl 1458a_100000022696_100015361967 [1,1,0,0,0,0|2,0,0]=4 3385 B12R1.26 O=C(CO)NCc1ccc(o1)Br 240690a_100000708654_100000210174 [1,1,0,0,0,0|2,0,0]=4 3386 B12R1.26 O=C(CO)NCc1ccc(o1)Br 527a_100000708654_100000210174 [1,1,0,0,0,0|2,0,0]=4 3387 B12R1.108 CCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210202 [1,1,0,0,0,0|0,0,2]=4 3388 B12R1.108 CCC(=O)C(C)Cn1cccn1 1458a_100000740329_100000210202 [1,1,0,0,0,0|2,0,0]=4 3389 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100000742827_100009814098 [1,1,0,0,0,0|1,0,0]=3 3390 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100009814098_100000742827 [1,1,0,0,0,0|1,0,0]=3 3391 B12R1.108 CCC(=O)C(C)Sc1cccs1 62a_100000742827_100011215356 [1,1,0,0,0,0|1,1,0]=4 3392 B12R1.108 CCC(=O)C(C)Sc1cccs1 62a_100011215356_100000742827 [1,1,0,0,0,0|1,1,0]=4 3393 B12R1.108 CCC(=O)C(C)Sc1cnco1 62a_100000742827_100020591547 [1,1,0,0,0,0|2,0,0]=4 3394 B12R1.108 CCC(=O)C(C)Sc1cnco1 62a_100020591547_100000742827 [1,1,0,0,0,0|2,0,0]=4 3395 B12R1.108 CCC(=O)C(C)Sc1ncco1 62a_100000742827_100011787736 [1,1,0,0,0,0|2,0,0]=4 3396 B12R1.108 CCC(=O)C(C)Sc1ncco1 62a_100011787736_100000742827 [1,1,0,0,0,0|2,0,0]=4 3397 B12R1.108 CCC(=O)N(C)Cc1ccco1 11a_100000185268_100000210414 [1,1,0,0,0,0|1,0,0]=3 3398 B12R1.108 CCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210414 [1,1,0,0,0,0|1,0,0]=3 3399 B12R1.108 CCC(=O)N(C)Cc1ccco1 527a_100000185268_100000210414 [1,1,0,0,0,0|1,0,0]=3 3400 B12R1.108 CCC(=O)N(C)Cc1cccs1 11a_100000184426_100000210414 [1,1,0,0,0,0|1,1,0]=4 3401 B12R1.108 CCC(=O)N(C)Cc1cccs1 240690a_100000184426_100000210414 [1,1,0,0,0,0|1,1,0]=4 3402 B12R1.108 CCC(=O)N(C)Cc1cccs1 527a_100000184426_100000210414 [1,1,0,0,0,0|1,1,0]=4 3403 B12R1.108 CN(Cc1ccco1)C(=O)CO 240690a_100000185268_100000210174 [1,1,0,0,0,0|2,0,0]=4 3404 B12R1.108 CN(Cc1ccco1)C(=O)CO 527a_100000185268_100000210174 [1,1,0,0,0,0|2,0,0]=4 3405 B12R1.108 CNC(=O)C(C)Sc1ccco1 62a_100000209862_100009814098 [1,1,0,0,0,0|2,0,0]=4 3406 B12R1.108 CNC(=O)C(C)Sc1ccco1 62a_100009814098_100000731044 [1,1,0,0,0,0|2,0,0]=4 3407 B12R1.108 CNC(=O)C(F)Sc1ccco1 62a_100009813575_100009814098 [1,1,0,0,0,0|2,0,0]=4 3408 B12R1.108 CNC(=O)C(F)Sc1ccco1 62a_100009814098_100009813575 [1,1,0,0,0,0|2,0,0]=4 3409 B12R1.108 CNC(=O)N(C)Cc1ccco1 2708a_100102657272_100000185268 [1,1,0,0,0,0|2,0,0]=4 3410 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100000211248_100009814098 [1,1,0,0,0,0|1,0,0]=3 3411 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100009814098_100000211248 [1,1,0,0,0,0|1,0,0]=3 3412 B12R1.108 COC(=O)C(C)Sc1cccs1 62a_100000211248_100011215356 [1,1,0,0,0,0|1,1,0]=4 3413 B12R1.108 COC(=O)C(C)Sc1cccs1 62a_100011215356_100000211248 [1,1,0,0,0,0|1,1,0]=4 3414 B12R1.108 COC(=O)C(C)Sc1cnco1 62a_100000211248_100020591547 [1,1,0,0,0,0|2,0,0]=4 3415 B12R1.108 COC(=O)C(C)Sc1cnco1 62a_100020591547_100000211248 [1,1,0,0,0,0|2,0,0]=4 3416 B12R1.108 COC(=O)C(C)Sc1ncco1 62a_100000211248_100011787736 [1,1,0,0,0,0|2,0,0]=4 3417 B12R1.108 COC(=O)C(C)Sc1ncco1 62a_100011787736_100000211248 [1,1,0,0,0,0|2,0,0]=4 3418 B12R1.196 CCS(=O)(=O)NCc1ccco1 270084a_100000185738_100000211323 [1,1,0,0,0,0|2,0,0]=4 3419 B12R1.196 CCS(=O)(=O)NCc1ccco1 274078a_100000185738_100000211323 [1,1,0,0,0,0|2,0,0]=4 3420 B12R1.196 CCS(=O)(=O)NCc1ccco1 40a_100000185738_100000053943 [1,1,0,0,0,0|2,0,0]=4 3421 B12R1.264 C=C(C)C(=O)CCc1cccs1 1458a_100000185857_100000748579 [1,1,0,0,0,0|0,1,1]=4 3422 B12R1.264 C=C(C)C(=O)NCc1ccco1 11a_100000185738_100000185857 [1,1,0,0,0,0|1,0,1]=4 3423 B12R1.264 C=C(C)C(=O)NCc1ccco1 1626a_100000185738_100000185857 [1,1,0,0,0,0|1,0,1]=4 3424 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100009814098_100011261029 [1,1,0,0,0,0|1,0,1]=4 3425 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100011261029_100009814098 [1,1,0,0,0,0|1,0,1]=4 3426 B12R1.264 CC(C)C(=O)CCc1c[nH]cn1 1458a_100000210198_100020628418 [1,1,0,0,0,0|2,0,0]=4 3427 B12R1.264 CC(C)C(=O)CCc1cc[nH]c1 1458a_200000093579_100000210206 [1,1,0,0,0,0|2,0,0]=4 3428 B12R1.264 CC(C)C(=O)CCc1ccc[nH]1 1458a_200011998680_100000210206 [1,1,0,0,0,0|1,0,0]=3 3429 B12R1.264 CC(C)C(=O)CCc1ccco1 1458a_100000185103_100000210206 [1,1,0,0,0,0|0,0,0]=2 3430 B12R1.264 CC(C)C(=O)CCc1cccs1 1458a_100000185280_100000210206 [1,1,0,0,0,0|0,1,0]=3 3431 B12R1.264 CC(C)C(=O)CCc1cccs1 1458a_100000210198_100000748579 [1,1,0,0,0,0|0,1,0]=3 3432 B12R1.264 CC(C)C(=O)CCc1ccsc1 1458a_100000195497_100000210206 [1,1,0,0,0,0|2,0,0]=4 3433 B12R1.264 CC(C)C(=O)CCc1cnc[nH]1 1458a_100000044180_100000210206 [1,1,0,0,0,0|2,0,0]=4 3434 B12R1.264 CC(C)C(=O)CCc1cncs1 1458a_100012184922_100000210206 [1,1,0,0,0,0|1,1,0]=4 3435 B12R1.264 CC(C)C(=O)CCc1ncc[nH]1 1458a_100000722789_100000210206 [1,1,0,0,0,0|2,0,0]=4 3436 B12R1.264 CC(C)C(=O)CCc1nccs1 1458a_100000742873_100000210206 [1,1,0,0,0,0|1,1,0]=4 3437 B12R1.264 CC(C)C(=O)CCn1cccc1 1458a_100000210198_200000035178 [1,1,0,0,0,0|2,0,0]=4 3438 B12R1.264 CC(C)C(=O)CCn1cccc1 1458a_100011196273_100000210206 [1,1,0,0,0,0|2,0,0]=4 3439 B12R1.264 CC(C)C(=O)CCn1cccn1 1458a_100000210198_100000685285 [1,1,0,0,0,0|2,0,0]=4 3440 B12R1.264 CC(C)C(=O)CCn1cccn1 1458a_100000242649_100000210206 [1,1,0,0,0,0|2,0,0]=4 3441 B12R1.264 CC(C)C(=O)CSc1ccco1 62a_100000753385_100009814098 [1,1,0,0,0,0|1,0,0]=3 3442 B12R1.264 CC(C)C(=O)CSc1ccco1 62a_100009814098_100000753385 [1,1,0,0,0,0|1,0,0]=3 3443 B12R1.264 CC(C)C(=O)CSc1cccs1 62a_100000753385_100011215356 [1,1,0,0,0,0|1,1,0]=4 3444 B12R1.264 CC(C)C(=O)CSc1cccs1 62a_100011215356_100000753385 [1,1,0,0,0,0|1,1,0]=4 3445 B12R1.264 CC(C)C(=O)CSc1cnco1 62a_100000753385_100020591547 [1,1,0,0,0,0|2,0,0]=4 3446 B12R1.264 CC(C)C(=O)CSc1cnco1 62a_100020591547_100000753385 [1,1,0,0,0,0|2,0,0]=4 3447 B12R1.264 CC(C)C(=O)CSc1ncco1 62a_100000753385_100011787736 [1,1,0,0,0,0|2,0,0]=4 3448 B12R1.264 CC(C)C(=O)CSc1ncco1 62a_100011787736_100000753385 [1,1,0,0,0,0|2,0,0]=4 3449 B12R1.264 CC(C)C(=O)NCc1ccc[nH]1 11a_100000764082_100000210198 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.264 CC(C)C(=O)NCc1ccc[nH]1 240690a_100000764082_100000210198 [1,1,0,0,0,0|2,0,0]=4 3451 B12R1.264 CC(C)C(=O)NCc1ccc[nH]1 527a_100000764082_100000210198 [1,1,0,0,0,0|2,0,0]=4 3452 B12R1.264 CC(C)C(=O)NCc1ccco1 11a_100000185738_100000210198 [1,1,0,0,0,0|1,0,0]=3 3453 B12R1.264 CC(C)C(=O)NCc1ccco1 1626a_100000185738_100000210198 [1,1,0,0,0,0|1,0,0]=3 3454 B12R1.264 CC(C)C(=O)NCc1ccco1 240690a_100000185738_100000210198 [1,1,0,0,0,0|1,0,0]=3 3455 B12R1.264 CC(C)C(=O)NCc1ccco1 527a_100000185738_100000210198 [1,1,0,0,0,0|1,0,0]=3 3456 B12R1.264 CC(C)C(=O)NCc1cccs1 11a_100000211653_100000210198 [1,1,0,0,0,0|1,1,0]=4 3457 B12R1.264 CC(C)C(=O)NCc1cccs1 1626a_100000211653_100000210198 [1,1,0,0,0,0|1,1,0]=4 3458 B12R1.264 CC(C)C(=O)NCc1cccs1 240690a_100000211653_100000210198 [1,1,0,0,0,0|1,1,0]=4 3459 B12R1.264 CC(C)C(=O)NCc1cccs1 527a_100000211653_100000210198 [1,1,0,0,0,0|1,1,0]=4 3460 B12R1.264 CC(C)C(=O)NCc1cnco1 11a_100020634212_100000210198 [1,1,0,0,0,0|2,0,0]=4 3461 B12R1.264 CC(C)C(=O)NCc1cnco1 240690a_100020634212_100000210198 [1,1,0,0,0,0|2,0,0]=4 3462 B12R1.264 CC(C)C(=O)NCc1cnco1 527a_100020634212_100000210198 [1,1,0,0,0,0|2,0,0]=4 3463 B12R1.264 CC(C)C(=O)NCc1ncco1 11a_100016994969_100000210198 [1,1,0,0,0,0|2,0,0]=4 3464 B12R1.264 CC(C)C(=O)NCc1ncco1 1626a_100016994969_100000210198 [1,1,0,0,0,0|2,0,0]=4 3465 B12R1.264 CC(C)C(=O)NCc1ncco1 240690a_100016994969_100000210198 [1,1,0,0,0,0|2,0,0]=4 3466 B12R1.264 CC(C)C(=O)NCc1ncco1 527a_100016994969_100000210198 [1,1,0,0,0,0|2,0,0]=4 3467 B12R1.264 CC(F)C(=O)CCc1c[nH]cn1 1458a_100000062450_100020628418 [1,1,0,0,0,0|2,0,0]=4 3468 B12R1.264 CC(F)C(=O)CCc1cccs1 1458a_100000062450_100000748579 [1,1,0,0,0,0|0,1,0]=3 3469 B12R1.264 CC(F)C(=O)CCn1cccc1 1458a_100000062450_200000035178 [1,1,0,0,0,0|2,0,0]=4 3470 B12R1.264 CC(F)C(=O)CCn1cccn1 1458a_100000062450_100000685285 [1,1,0,0,0,0|2,0,0]=4 3471 B12R1.264 CC(F)C(=O)NCc1ccc[nH]1 11a_100000764082_100000062450 [1,1,0,0,0,0|2,0,0]=4 3472 B12R1.264 CC(F)C(=O)NCc1ccc[nH]1 240690a_100000764082_100000062450 [1,1,0,0,0,0|2,0,0]=4 3473 B12R1.264 CC(F)C(=O)NCc1ccc[nH]1 527a_100000764082_100000062450 [1,1,0,0,0,0|2,0,0]=4 3474 B12R1.264 CC(F)C(=O)NCc1ccco1 11a_100000185738_100000062450 [1,1,0,0,0,0|1,0,0]=3 3475 B12R1.264 CC(F)C(=O)NCc1ccco1 1626a_100000185738_100000062450 [1,1,0,0,0,0|1,0,0]=3 3476 B12R1.264 CC(F)C(=O)NCc1ccco1 240690a_100000185738_100000062450 [1,1,0,0,0,0|1,0,0]=3 3477 B12R1.264 CC(F)C(=O)NCc1ccco1 527a_100000185738_100000062450 [1,1,0,0,0,0|1,0,0]=3 3478 B12R1.264 CC(F)C(=O)NCc1cccs1 11a_100000211653_100000062450 [1,1,0,0,0,0|1,1,0]=4 3479 B12R1.264 CC(F)C(=O)NCc1cccs1 1626a_100000211653_100000062450 [1,1,0,0,0,0|1,1,0]=4 3480 B12R1.264 CC(F)C(=O)NCc1cccs1 240690a_100000211653_100000062450 [1,1,0,0,0,0|1,1,0]=4 3481 B12R1.264 CC(F)C(=O)NCc1cccs1 527a_100000211653_100000062450 [1,1,0,0,0,0|1,1,0]=4 3482 B12R1.264 CC(F)C(=O)NCc1cnco1 11a_100020634212_100000062450 [1,1,0,0,0,0|2,0,0]=4 3483 B12R1.264 CC(F)C(=O)NCc1cnco1 240690a_100020634212_100000062450 [1,1,0,0,0,0|2,0,0]=4 3484 B12R1.264 CC(F)C(=O)NCc1cnco1 527a_100020634212_100000062450 [1,1,0,0,0,0|2,0,0]=4 3485 B12R1.264 CC(F)C(=O)NCc1ncco1 11a_100016994969_100000062450 [1,1,0,0,0,0|2,0,0]=4 3486 B12R1.264 CC(F)C(=O)NCc1ncco1 1626a_100016994969_100000062450 [1,1,0,0,0,0|2,0,0]=4 3487 B12R1.264 CC(F)C(=O)NCc1ncco1 240690a_100016994969_100000062450 [1,1,0,0,0,0|2,0,0]=4 3488 B12R1.264 CC(F)C(=O)NCc1ncco1 527a_100016994969_100000062450 [1,1,0,0,0,0|2,0,0]=4 3489 B12R1.264 CN(C)C(=O)CCc1ccc[nH]1 11a_100102631434_200011998680 [1,1,0,0,0,0|2,0,0]=4 3490 B12R1.264 CN(C)C(=O)CCc1ccc[nH]1 240690a_100102631434_200011998680 [1,1,0,0,0,0|2,0,0]=4 3491 B12R1.264 CN(C)C(=O)CCc1ccc[nH]1 527a_100102631434_200011998680 [1,1,0,0,0,0|2,0,0]=4 3492 B12R1.264 CN(C)C(=O)CCc1ccco1 11a_100102631434_100000185103 [1,1,0,0,0,0|1,0,0]=3 3493 B12R1.264 CN(C)C(=O)CCc1ccco1 1626a_100102631434_100000185103 [1,1,0,0,0,0|1,0,0]=3 3494 B12R1.264 CN(C)C(=O)CCc1ccco1 271570a_200010232142_100009814098 [1,1,0,0,0,0|1,0,0]=3 3495 B12R1.264 CN(C)C(=O)CCc1ccco1 527a_100102631434_100000185103 [1,1,0,0,0,0|1,0,0]=3 3496 B12R1.264 CN(C)C(=O)CCc1cccs1 11a_100102631434_100000185280 [1,1,0,0,0,0|1,1,0]=4 3497 B12R1.264 CN(C)C(=O)CCc1cccs1 1626a_100102631434_100000185280 [1,1,0,0,0,0|1,1,0]=4 3498 B12R1.264 CN(C)C(=O)CCc1cccs1 240690a_100102631434_100000185280 [1,1,0,0,0,0|1,1,0]=4 3499 B12R1.264 CN(C)C(=O)CCc1cccs1 271570a_200010232142_100011215356 [1,1,0,0,0,0|1,1,0]=4 3500 B12R1.264 CN(C)C(=O)CCc1cccs1 527a_100102631434_100000185280 [1,1,0,0,0,0|1,1,0]=4 3501 B12R1.264 CN(C)C(=O)CCc1cnco1 271570a_200010232142_100020591547 [1,1,0,0,0,0|2,0,0]=4 3502 B12R1.264 CN(C)C(=O)CCc1ncco1 271570a_200010232142_100011787736 [1,1,0,0,0,0|2,0,0]=4 3503 B12R1.264 CN(C)C(=O)CSc1ccco1 62a_100000692301_100009814098 [1,1,0,0,0,0|2,0,0]=4 3504 B12R1.264 CN(C)C(=O)CSc1ccco1 62a_100009814098_100000692301 [1,1,0,0,0,0|2,0,0]=4 3505 B12R1.264 CN(C)C(=O)NCc1ccco1 2708a_100000185738_100102631434 [1,1,0,0,0,0|2,0,0]=4 3506 B12R1.264 C[C@@H](O)C(=O)CCc1c[nH]cn1 1458a_100000717761_100020628418 [1,1,0,0,0,0|2,0,0]=4 3507 B12R1.264 C[C@@H](O)C(=O)CCc1cccs1 1458a_100000717761_100000748579 [1,1,0,0,0,0|0,1,0]=3 3508 B12R1.264 C[C@@H](O)C(=O)CCn1cccc1 1458a_100000717761_200000035178 [1,1,0,0,0,0|2,0,0]=4 3509 B12R1.264 C[C@@H](O)C(=O)CCn1cccn1 1458a_100000717761_100000685285 [1,1,0,0,0,0|2,0,0]=4 3510 B12R1.264 C[C@@H](O)C(=O)NCc1ccc[nH]1 240690a_100000764082_100000717761 [1,1,0,0,0,0|2,0,0]=4 3511 B12R1.264 C[C@@H](O)C(=O)NCc1ccco1 240690a_100000185738_100000717761 [1,1,0,0,0,0|1,0,0]=3 3512 B12R1.264 C[C@@H](O)C(=O)NCc1cccs1 240690a_100000211653_100000717761 [1,1,0,0,0,0|1,1,0]=4 3513 B12R1.264 C[C@@H](O)C(=O)NCc1cnco1 240690a_100020634212_100000717761 [1,1,0,0,0,0|2,0,0]=4 3514 B12R1.264 C[C@@H](O)C(=O)NCc1ncco1 240690a_100016994969_100000717761 [1,1,0,0,0,0|2,0,0]=4 3515 B12R1.264 C[C@H](O)C(=O)CCc1c[nH]cn1 1458a_217856618621_100020628418 [1,1,0,0,0,0|2,0,0]=4 3516 B12R1.264 C[C@H](O)C(=O)CCc1cccs1 1458a_217856618621_100000748579 [1,1,0,0,0,0|0,1,0]=3 3517 B12R1.264 C[C@H](O)C(=O)CCn1cccc1 1458a_217856618621_200000035178 [1,1,0,0,0,0|2,0,0]=4 3518 B12R1.264 C[C@H](O)C(=O)CCn1cccn1 1458a_217856618621_100000685285 [1,1,0,0,0,0|2,0,0]=4 3519 B12R1.264 C[C@H](O)C(=O)NCc1ccc[nH]1 240690a_100000764082_217856618621 [1,1,0,0,0,0|2,0,0]=4 3520 B12R1.264 C[C@H](O)C(=O)NCc1ccco1 1626a_100000185738_217856618621 [1,1,0,0,0,0|1,0,0]=3 3521 B12R1.264 C[C@H](O)C(=O)NCc1ccco1 240690a_100000185738_217856618621 [1,1,0,0,0,0|1,0,0]=3 3522 B12R1.264 C[C@H](O)C(=O)NCc1cccs1 1626a_100000211653_217856618621 [1,1,0,0,0,0|1,1,0]=4 3523 B12R1.264 C[C@H](O)C(=O)NCc1cccs1 240690a_100000211653_217856618621 [1,1,0,0,0,0|1,1,0]=4 3524 B12R1.264 C[C@H](O)C(=O)NCc1cnco1 240690a_100020634212_217856618621 [1,1,0,0,0,0|2,0,0]=4 3525 B12R1.264 C[C@H](O)C(=O)NCc1ncco1 1626a_100016994969_217856618621 [1,1,0,0,0,0|2,0,0]=4 3526 B12R1.264 C[C@H](O)C(=O)NCc1ncco1 240690a_100016994969_217856618621 [1,1,0,0,0,0|2,0,0]=4 3527 B12R1.264 O=C(CCc1cccs1)C(O)O 1458a_100000233687_100000748579 [1,1,0,0,0,0|1,1,0]=4 3528 B12R1.264 O=C(NCc1ccco1)C(F)F 11a_100000185738_100000210393 [1,1,0,0,0,0|2,0,0]=4 3529 B12R1.264 O=C(NCc1ccco1)C(F)F 1626a_100000185738_100000210393 [1,1,0,0,0,0|2,0,0]=4 3530 B12R1.264 O=C(NCc1ccco1)C(F)F 240690a_100000185738_100000210393 [1,1,0,0,0,0|2,0,0]=4 3531 B12R1.264 O=C(NCc1ccco1)C(F)F 527a_100000185738_100000210393 [1,1,0,0,0,0|2,0,0]=4 3532 B12R1.264 O=C(NCc1ccco1)C(O)O 240690a_100000185738_100000233687 [1,1,0,0,0,0|2,0,0]=4 3533 B12R1.353 CCC(=O)CCc1ccnn1C 1458a_100000763893_100000210202 [1,1,0,0,0,0|2,0,0]=4 3534 B12R1.353 CCC(=O)CCc1nccn1C 1458a_200011261795_100000210202 [1,1,0,0,0,0|2,0,0]=4 3535 B12R1.353 CCC(=O)CCc1scnc1C 1458a_100000210414_100000057103 [1,1,0,0,0,0|1,1,0]=4 3536 B12R1.353 CCC(=O)CCc1scnc1C 1458a_100011934404_100000210202 [1,1,0,0,0,0|1,1,0]=4 3537 B12R1.353 CCC(=O)CCn1nccc1C 1458a_100000210414_100011934269 [1,1,0,0,0,0|2,0,0]=4 3538 B12R1.353 CCC(=O)CCn1nccc1C 1458a_200000759149_100000210202 [1,1,0,0,0,0|2,0,0]=4 3539 B12R1.353 CCC(=O)CSc1sccc1Br 62a_100000747405_100012361411 [1,1,0,0,0,0|1,1,0]=4 3540 B12R1.353 CCC(=O)CSc1sccc1Br 62a_100012361411_100000747405 [1,1,0,0,0,0|1,1,0]=4 3541 B12R1.353 CCC(=O)CSc1sccc1C 62a_100000747405_100010247149 [1,1,0,0,0,0|1,1,0]=4 3542 B12R1.353 CCC(=O)CSc1sccc1C 62a_100010247149_100000747405 [1,1,0,0,0,0|1,1,0]=4 3543 B12R1.353 CCC(=O)NCc1cccn1C 11a_100011219357_100000210414 [1,1,0,0,0,0|2,0,0]=4 3544 B12R1.353 CCC(=O)NCc1cccn1C 1626a_100011219357_100000210414 [1,1,0,0,0,0|2,0,0]=4 3545 B12R1.353 CCC(=O)NCc1cccn1C 240690a_100011219357_100000210414 [1,1,0,0,0,0|2,0,0]=4 3546 B12R1.353 CCC(=O)NCc1cccn1C 527a_100011219357_100000210414 [1,1,0,0,0,0|2,0,0]=4 3547 B12R1.353 CCC(=O)NCc1sccc1C 11a_100000238519_100000210414 [1,1,0,0,0,0|1,1,0]=4 3548 B12R1.353 CCC(=O)NCc1sccc1C 1626a_100000238519_100000210414 [1,1,0,0,0,0|1,1,0]=4 3549 B12R1.353 CCC(=O)NCc1sccc1C 240690a_100000238519_100000210414 [1,1,0,0,0,0|1,1,0]=4 3550 B12R1.353 CCC(=O)NCc1sccc1C 527a_100000238519_100000210414 [1,1,0,0,0,0|1,1,0]=4 3551 B12R1.353 CCC(=O)NCc1sccc1Cl 11a_100011934584_100000210414 [1,1,0,0,0,0|1,1,0]=4 3552 B12R1.353 CCC(=O)NCc1sccc1Cl 1626a_100011934584_100000210414 [1,1,0,0,0,0|1,1,0]=4 3553 B12R1.353 CCC(=O)NCc1sccc1Cl 240690a_100011934584_100000210414 [1,1,0,0,0,0|1,1,0]=4 3554 B12R1.353 CCC(=O)NCc1sccc1Cl 527a_100011934584_100000210414 [1,1,0,0,0,0|1,1,0]=4 3555 B12R1.353 COC(=O)CSc1sccc1Br 62a_100000747449_100012361411 [1,1,0,0,0,0|1,1,0]=4 3556 B12R1.353 COC(=O)CSc1sccc1Br 62a_100012361411_100000747449 [1,1,0,0,0,0|1,1,0]=4 3557 B12R1.353 COC(=O)CSc1sccc1C 62a_100000747449_100010247149 [1,1,0,0,0,0|1,1,0]=4 3558 B12R1.353 COC(=O)CSc1sccc1C 62a_100010247149_100000747449 [1,1,0,0,0,0|1,1,0]=4 3559 B12R1.31 CCCC(=O)Cc1cc(cs1)Br 1458a_100000211992_100000746031 [0,1,0,0,1,0|1,1,0]=4 3560 B12R1.31 CCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210303 [0,1,0,0,1,0|1,1,0]=4 3561 B12R1.31 CCCC(=O)Cc1cc(no1)Br 1458a_100000211992_100000709089 [0,1,0,0,1,0|2,0,0]=4 3562 B12R1.31 CCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210303 [0,1,0,0,1,0|2,0,0]=4 3563 B12R1.31 CCCC(=O)Cc1cc(no1)C 1458a_100000211992_100000707947 [0,1,0,0,1,0|2,0,0]=4 3564 B12R1.31 CCCC(=O)Cc1ccc(s1)Br 1458a_100000211992_100000708592 [0,1,0,0,1,0|1,1,0]=4 3565 B12R1.31 CCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210303 [0,1,0,0,1,0|1,1,0]=4 3566 B12R1.31 CCCC(=O)Cc1ccc(s1)Cl 1458a_100000211992_100000185097 [0,1,0,0,1,0|1,1,0]=4 3567 B12R1.31 CCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210303 [0,1,0,0,1,0|1,1,0]=4 3568 B12R1.31 CCNC(=O)Cc1cc(cs1)Br 11a_100015525214_100011542370 [0,1,0,0,1,0|1,1,0]=4 3569 B12R1.31 CCNC(=O)Cc1cc(cs1)Br 240690a_100015525214_100011542370 [0,1,0,0,1,0|1,1,0]=4 3570 B12R1.31 CCNC(=O)Cc1cc(no1)C 11a_100015525214_100000037866 [0,1,0,0,1,0|2,0,0]=4 3571 B12R1.31 CCNC(=O)Cc1cc(no1)C 240690a_100015525214_100000037866 [0,1,0,0,1,0|2,0,0]=4 3572 B12R1.31 CCNC(=O)Cc1ccc(s1)Br 11a_100015525214_100000238643 [0,1,0,0,1,0|1,1,0]=4 3573 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl 11a_100015525214_100000238644 [0,1,0,0,1,0|1,1,0]=4 3574 B12R1.31 CCNC(=O)Cc1ccc(s1)Cl 240690a_100015525214_100000238644 [0,1,0,0,1,0|1,1,0]=4 3575 B12R1.31 CCOC(=O)Cc1csc(n1)O 271570a_203496583355_100010153561 [0,1,0,0,1,0|2,0,0]=4 3576 B12R1.31 CCOC(=O)Cn1cc(cn1)O 271570a_203496583355_100012072428 [0,1,0,0,1,0|2,0,0]=4 3577 B12R1.260 C=C(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748629 [0,1,0,0,1,0|1,0,1]=4 3578 B12R1.260 CC(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210624 [0,1,0,0,1,0|2,0,0]=4 3579 B12R1.260 CC(C)CC(=O)Cc1ccco1 1458a_100011217309_100000210624 [0,1,0,0,1,0|1,0,0]=3 3580 B12R1.260 CC(C)CC(=O)Cc1cccs1 1458a_100000210189_100000210624 [0,1,0,0,1,0|1,1,0]=4 3581 B12R1.260 CC(C)CC(=O)Cc1ncco1 1458a_100000210554_103436540062 [0,1,0,0,1,0|2,0,0]=4 3582 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 11a_100138425928_100000238377 [0,1,0,0,1,0|2,0,0]=4 3583 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 240690a_100138425928_100000238377 [0,1,0,0,1,0|2,0,0]=4 3584 B12R1.260 CC(C)NC(=O)Cc1ccc[nH]1 527a_100138425928_100000238377 [0,1,0,0,1,0|2,0,0]=4 3585 B12R1.260 CC(C)NC(=O)Cc1ccco1 11a_100138425928_100011217309 [0,1,0,0,1,0|1,0,0]=3 3586 B12R1.260 CC(C)NC(=O)Cc1ccco1 527a_100138425928_100011217309 [0,1,0,0,1,0|1,0,0]=3 3587 B12R1.260 CC(C)NC(=O)Cc1cccs1 11a_100138425928_100000210189 [0,1,0,0,1,0|1,1,0]=4 3588 B12R1.260 CC(C)NC(=O)Cc1cccs1 1626a_100138425928_100000210189 [0,1,0,0,1,0|1,1,0]=4 3589 B12R1.260 CC(C)NC(=O)Cc1cccs1 240690a_100138425928_100000210189 [0,1,0,0,1,0|1,1,0]=4 3590 B12R1.260 CC(C)OC(C)Cc1ccco1 34a_100011803939_100000210206 [0,1,0,0,1,0|1,0,1]=4 3591 B12R1.260 CC(C)OC(C)Cc1ccco1 7a_100011803939_100000210206 [0,1,0,0,1,0|1,0,1]=4 3592 B12R1.260 CC(O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100011218427 [0,1,0,0,1,0|2,0,0]=4 3593 B12R1.260 CC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218427 [0,1,0,0,1,0|1,0,0]=3 3594 B12R1.260 CC(O)CC(=O)Cc1cccs1 1458a_100000210189_100011218427 [0,1,0,0,1,0|1,1,0]=4 3595 B12R1.260 C[C@@H](O)CC(=O)Cc1ncco1 1458a_100011933948_103436540062 [0,1,0,0,1,0|2,0,0]=4 3596 B12R1.260 O=C(Cc1ccco1)CC(F)F 1458a_100011217309_100011934356 [0,1,0,0,1,0|2,0,0]=4 3597 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210303 [0,1,0,0,0,1|2,0,0]=4 3598 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000211992_100000756946 [0,1,0,0,0,1|2,0,0]=4 3599 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000211992_100000185958 [0,1,0,0,0,1|2,0,0]=4 3600 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210303 [0,1,0,0,0,1|2,0,0]=4 3601 B14R1.29 CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211992_100011933945 [0,1,0,0,0,1|2,0,0]=4 3602 B14R1.29 CCNC(=O)CC(C)c1ccccc1 11a_100015525214_100000183687 [0,1,0,0,0,1|2,0,0]=4 3603 B14R1.29 CCNC(=O)CC(C)c1ccccc1 240690a_100015525214_100000183687 [0,1,0,0,0,1|2,0,0]=4 3604 B14R1.29 CCNC(=O)CC(C)c1ccccc1 527a_100015525214_100000183687 [0,1,0,0,0,1|2,0,0]=4 3605 B14R1.29 CCNC(=O)CC(O)c1ccccc1 240690a_100015525214_100000690199 [0,1,0,0,0,1|2,0,0]=4 3606 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [0,1,0,0,0,1|1,0,1]=4 3607 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000188475 [0,1,0,0,0,1|2,0,0]=4 3608 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000219562_200000210301 [0,1,0,0,0,1|2,0,0]=4 3609 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000188475 [0,1,0,0,0,1|2,0,0]=4 3610 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000219562_200000210301 [0,1,0,0,0,1|2,0,0]=4 3611 B14R1.29 CCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000188475 [0,1,0,0,0,1|2,0,0]=4 3612 B14R1.29 CCOC(=O)CN(C)c1cccnn1 27a_100000220588_100016991348 [0,1,0,0,0,1|2,0,0]=4 3613 B14R1.29 CCOC(=O)CN(C)c1ccncn1 27a_100000220588_100000703185 [0,1,0,0,0,1|2,0,0]=4 3614 B14R1.29 CCOC(=O)CN(C)c1cnccn1 27a_100000220588_100000211759 [0,1,0,0,0,1|2,0,0]=4 3615 B14R1.29 CCOC(=O)CN(C)c1ncccn1 27a_100000220588_100000211032 [0,1,0,0,0,1|2,0,0]=4 3616 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 2230a_100000219562_200025704644 [0,1,0,0,0,1|2,0,0]=4 3617 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 269982a_100000219562_200025704644 [0,1,0,0,0,1|2,0,0]=4 3618 B14R1.32 CCCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210303 [0,1,0,0,0,1|2,0,0]=4 3619 B14R1.32 CCCC(=O)CCc1cccc(c1)Br 1458a_100000211992_100011740638 [0,1,0,0,0,1|2,0,0]=4 3620 B14R1.32 CCCC(=O)CCc1cccc(c1)C 1458a_100000211992_100011713685 [0,1,0,0,0,1|2,0,0]=4 3621 B14R1.32 CCCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210303 [0,1,0,0,0,1|2,0,0]=4 3622 B14R1.32 CCCC(=O)CCc1cccc(c1)Cl 1458a_100000211992_100011713710 [0,1,0,0,0,1|2,0,0]=4 3623 B14R1.32 CCCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210303 [0,1,0,0,0,1|2,0,0]=4 3624 B14R1.32 CCCC(=O)CCc1cccc(c1)F 1458a_100000211992_100011217235 [0,1,0,0,0,1|2,0,0]=4 3625 B14R1.32 CCCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210303 [0,1,0,0,0,1|2,0,0]=4 3626 B14R1.32 CCCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210303 [0,1,0,0,0,1|2,0,0]=4 3627 B14R1.32 CCCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210303 [0,1,0,0,0,1|2,0,0]=4 3628 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 11a_100015525214_100000184314 [0,1,0,0,0,1|2,0,0]=4 3629 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 240690a_100015525214_100000184314 [0,1,0,0,0,1|2,0,0]=4 3630 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 527a_100015525214_100000184314 [0,1,0,0,0,1|2,0,0]=4 3631 B14R1.32 CCNC(=O)CCc1cccc(c1)C 11a_100015525214_100000234952 [0,1,0,0,0,1|2,0,0]=4 3632 B14R1.32 CCNC(=O)CCc1cccc(c1)C 240690a_100015525214_100000234952 [0,1,0,0,0,1|2,0,0]=4 3633 B14R1.32 CCNC(=O)CCc1cccc(c1)C 527a_100015525214_100000234952 [0,1,0,0,0,1|2,0,0]=4 3634 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 11a_100015525214_100000235675 [0,1,0,0,0,1|2,0,0]=4 3635 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 240690a_100015525214_100000235675 [0,1,0,0,0,1|2,0,0]=4 3636 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 527a_100015525214_100000235675 [0,1,0,0,0,1|2,0,0]=4 3637 B14R1.32 CCNC(=O)CCc1cccc(c1)F 11a_100015525214_100000235673 [0,1,0,0,0,1|2,0,0]=4 3638 B14R1.32 CCNC(=O)CCc1cccc(c1)F 240690a_100015525214_100000235673 [0,1,0,0,0,1|2,0,0]=4 3639 B14R1.32 CCNC(=O)CCc1cccc(c1)F 527a_100015525214_100000235673 [0,1,0,0,0,1|2,0,0]=4 3640 B14R1.32 CCNC(=O)CCc1cccc(c1)I 11a_100015525214_100010007846 [0,1,0,0,0,1|2,0,0]=4 3641 B14R1.32 CCNC(=O)CCc1cccc(c1)I 240690a_100015525214_100010007846 [0,1,0,0,0,1|2,0,0]=4 3642 B14R1.32 CCNC(=O)CCc1cccc(c1)I 527a_100015525214_100010007846 [0,1,0,0,0,1|2,0,0]=4 3643 B14R1.32 CCNC(=O)CCc1cccc(c1)O 240690a_100015525214_100011216126 [0,1,0,0,0,1|2,0,0]=4 3644 B14R1.32 CCNC(=O)CCc1cccc(c1)O 527a_100015525214_100011216126 [0,1,0,0,0,1|2,0,0]=4 3645 B14R1.32 CCOC(=O)CCc1cccc(c1)O 271570a_203496583355_200000172381 [0,1,0,0,0,1|1,0,0]=3 3646 B14R1.32 CCOC(=O)CNc1cccc(c1)Br 34a_100000210019_100000188475 [0,1,0,0,0,1|2,0,0]=4 3647 B14R1.32 CCOC(=O)CNc1cccc(c1)C 2230a_100000188690_100000188475 [0,1,0,0,0,1|2,0,0]=4 3648 B14R1.32 CCOC(=O)CNc1cccc(c1)C 34a_100000188690_100000188475 [0,1,0,0,0,1|2,0,0]=4 3649 B14R1.32 CCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000188475 [0,1,0,0,0,1|2,0,0]=4 3650 B14R1.32 CCOC(=O)CNc1cccc(c1)F 34a_100000210047_100000188475 [0,1,0,0,0,1|2,0,0]=4 3651 B14R1.32 CCOC(=O)CNc1cccc(c1)I 34a_100000211102_100000188475 [0,1,0,0,0,1|2,0,0]=4 3652 B14R1.32 CCOC(=O)CNc1cccc(c1)O 271570a_203496583355_200000219647 [0,1,0,0,0,1|2,0,0]=4 3653 B14R1.32 CCOC(=O)CNc1cccc(c1)O 34a_100000210217_100000188475 [0,1,0,0,0,1|2,0,0]=4 3654 B14R1.32 CCOC(=O)COc1cc(cnn1)C 34a_100000766097_100000188475 [0,1,0,0,0,1|2,0,0]=4 3655 B14R1.32 CCOC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000188475 [0,1,0,0,0,1|2,0,0]=4 3656 B14R1.32 CCOC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000188475 [0,1,0,0,0,1|2,0,0]=4 3657 B14R1.32 CCOC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000188475 [0,1,0,0,0,1|2,0,0]=4 3658 B14R1.32 CCOC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000188475 [0,1,0,0,0,1|2,0,0]=4 3659 B14R1.32 CCOC(=O)COc1cccc(c1)Br 34a_100000210342_100000188475 [0,1,0,0,0,1|2,0,0]=4 3660 B14R1.32 CCOC(=O)COc1cccc(c1)Br 7a_100000210342_100000188475 [0,1,0,0,0,1|2,0,0]=4 3661 B14R1.32 CCOC(=O)COc1cccc(c1)C 34a_100000210337_100000188475 [0,1,0,0,0,1|2,0,0]=4 3662 B14R1.32 CCOC(=O)COc1cccc(c1)C 7a_100000210337_100000188475 [0,1,0,0,0,1|2,0,0]=4 3663 B14R1.32 CCOC(=O)COc1cccc(c1)Cl 34a_100000210295_100000188475 [0,1,0,0,0,1|2,0,0]=4 3664 B14R1.32 CCOC(=O)COc1cccc(c1)Cl 7a_100000210295_100000188475 [0,1,0,0,0,1|2,0,0]=4 3665 B14R1.32 CCOC(=O)COc1cccc(c1)F 34a_100000210426_100000188475 [0,1,0,0,0,1|2,0,0]=4 3666 B14R1.32 CCOC(=O)COc1cccc(c1)F 7a_100000210426_100000188475 [0,1,0,0,0,1|2,0,0]=4 3667 B14R1.32 CCOC(=O)COc1cccc(c1)I 34a_100000211634_100000188475 [0,1,0,0,0,1|2,0,0]=4 3668 B14R1.32 CCOC(=O)COc1cccc(c1)I 7a_100000211634_100000188475 [0,1,0,0,0,1|2,0,0]=4 3669 B14R1.32 CCOC(=O)COc1cccc(c1)N 34a_100000210217_100000188475 [0,1,0,0,0,1|2,0,0]=4 3670 B14R1.32 CCOC(=O)COc1cccc(c1)O 271570a_203496583355_100000170171 [0,1,0,0,0,1|2,0,0]=4 3671 B14R1.32 CCOC(=O)COc1cccc(n1)F 34a_100011432558_100000188475 [0,1,0,0,0,1|2,0,0]=4 3672 B14R1.32 CCOC(=O)COc1ccnc(c1)C 34a_100000688365_100000188475 [0,1,0,0,0,1|2,0,0]=4 3673 B14R1.32 CCOC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000188475 [0,1,0,0,0,1|2,0,0]=4 3674 B14R1.32 CCOC(=O)COc1ccnc(c1)F 34a_100000732698_100000188475 [0,1,0,0,0,1|2,0,0]=4 3675 B14R1.32 CCOC(=O)COc1ccnc(c1)N 34a_100011834064_100000188475 [0,1,0,0,0,1|2,0,0]=4 3676 B14R1.32 CCOC(=O)COc1cncc(c1)Br 34a_100000754920_100000188475 [0,1,0,0,0,1|2,0,0]=4 3677 B14R1.32 CCOC(=O)COc1cncc(c1)Br 7a_100000754920_100000188475 [0,1,0,0,0,1|2,0,0]=4 3678 B14R1.32 CCOC(=O)COc1cncc(c1)C 34a_100011830280_100000188475 [0,1,0,0,0,1|2,0,0]=4 3679 B14R1.32 CCOC(=O)COc1cncc(c1)C 7a_100011830280_100000188475 [0,1,0,0,0,1|2,0,0]=4 3680 B14R1.32 CCOC(=O)COc1cncc(c1)Cl 7a_100000032511_100000188475 [0,1,0,0,0,1|2,0,0]=4 3681 B14R1.32 CCOC(=O)COc1cncc(c1)F 34a_100011830296_100000188475 [0,1,0,0,0,1|2,0,0]=4 3682 B14R1.32 CCOC(=O)COc1cncc(c1)F 7a_100011830296_100000188475 [0,1,0,0,0,1|2,0,0]=4 3683 B14R1.32 CCOC(=O)COc1cncc(c1)N 34a_100011997051_100000188475 [0,1,0,0,0,1|2,0,0]=4 3684 B14R1.32 CCOC(=O)CSc1c[n+](ccn1)[O-] 62a_100000188475_100009880115 [0,1,0,0,0,1|2,0,0]=4 3685 B14R1.32 CCOC(=O)CSc1cc(=O)[nH]cn1 62a_100012002517_100000188475 [0,1,0,0,0,1|2,0,0]=4 3686 B14R1.32 CCOC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000188475 [0,1,0,0,0,1|2,0,0]=4 3687 B14R1.32 CCOC(=O)CSc1cc(ccn1)C 62a_100000188475_100000750283 [0,1,0,0,0,1|2,0,0]=4 3688 B14R1.32 CCOC(=O)CSc1cc(ccn1)C 62a_100000750283_100000188475 [0,1,0,0,0,1|2,0,0]=4 3689 B14R1.32 CCOC(=O)CSc1cc(ccn1)Cl 62a_100000188475_100010167805 [0,1,0,0,0,1|2,0,0]=4 3690 B14R1.32 CCOC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000188475 [0,1,0,0,0,1|2,0,0]=4 3691 B14R1.32 CCOC(=O)CSc1cc(ccn1)F 62a_100000188475_100000764206 [0,1,0,0,0,1|2,0,0]=4 3692 B14R1.32 CCOC(=O)CSc1cc(ccn1)F 62a_100000764206_100000188475 [0,1,0,0,0,1|2,0,0]=4 3693 B14R1.32 CCOC(=O)CSc1cc(ccn1)N 62a_100000188475_100009814236 [0,1,0,0,0,1|2,0,0]=4 3694 B14R1.32 CCOC(=O)CSc1cc(ccn1)N 62a_100009814236_100000188475 [0,1,0,0,0,1|2,0,0]=4 3695 B14R1.32 CCOC(=O)CSc1cc(ccn1)O 62a_100000188475_100000762945 [0,1,0,0,0,1|2,0,0]=4 3696 B14R1.32 CCOC(=O)CSc1cc(cnn1)C 62a_100000070100_100000188475 [0,1,0,0,0,1|2,0,0]=4 3697 B14R1.32 CCOC(=O)CSc1cc(cnn1)C 62a_100000188475_100000070100 [0,1,0,0,0,1|2,0,0]=4 3698 B14R1.32 CCOC(=O)CSc1cc(cnn1)N 62a_100000188475_100011996757 [0,1,0,0,0,1|2,0,0]=4 3699 B14R1.32 CCOC(=O)CSc1cc(cnn1)N 62a_100011996757_100000188475 [0,1,0,0,0,1|2,0,0]=4 3700 B14R1.32 CCOC(=O)CSc1cc(cnn1)O 62a_100000188475_200010734679 [0,1,0,0,0,1|2,0,0]=4 3701 B14R1.32 CCOC(=O)CSc1cc(ncn1)C 62a_100000188475_100000744208 [0,1,0,0,0,1|2,0,0]=4 3702 B14R1.32 CCOC(=O)CSc1cc(ncn1)C 62a_100000744208_100000188475 [0,1,0,0,0,1|2,0,0]=4 3703 B14R1.32 CCOC(=O)CSc1cc(ncn1)Cl 62a_100000188475_100010161198 [0,1,0,0,0,1|2,0,0]=4 3704 B14R1.32 CCOC(=O)CSc1cc(ncn1)Cl 62a_100010161198_100000188475 [0,1,0,0,0,1|2,0,0]=4 3705 B14R1.32 CCOC(=O)CSc1cc(ncn1)F 62a_100000188475_200009880791 [0,1,0,0,0,1|2,0,0]=4 3706 B14R1.32 CCOC(=O)CSc1cc(ncn1)F 62a_200009880791_100000188475 [0,1,0,0,0,1|2,0,0]=4 3707 B14R1.32 CCOC(=O)CSc1cc(ncn1)N 62a_100000188475_100000701291 [0,1,0,0,0,1|2,0,0]=4 3708 B14R1.32 CCOC(=O)CSc1cc(ncn1)N 62a_100000701291_100000188475 [0,1,0,0,0,1|2,0,0]=4 3709 B14R1.32 CCOC(=O)CSc1cc(ncn1)O 62a_100000188475_100000765262 [0,1,0,0,0,1|2,0,0]=4 3710 B14R1.32 CCOC(=O)CSc1cc[nH]c(=O)c1 62a_100000188475_100009816521 [0,1,0,0,0,1|2,0,0]=4 3711 B14R1.32 CCOC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000188475 [0,1,0,0,0,1|2,0,0]=4 3712 B14R1.32 CCOC(=O)CSc1cc[nH]c(=O)n1 62a_100000188475_200000134032 [0,1,0,0,0,1|2,0,0]=4 3713 B14R1.32 CCOC(=O)CSc1ccc[n+](c1)C 62a_100000188475_100009996589 [0,1,0,0,0,1|2,0,0]=4 3714 B14R1.32 CCOC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000188475 [0,1,0,0,0,1|2,0,0]=4 3715 B14R1.32 CCOC(=O)CSc1ccc[n+](c1)[O-] 62a_100000188475_100009815978 [0,1,0,0,0,1|2,0,0]=4 3716 B14R1.32 CCOC(=O)CSc1cccc(=O)[nH]1 62a_100000188475_100000752884 [0,1,0,0,0,1|2,0,0]=4 3717 B14R1.32 CCOC(=O)CSc1cccc(c1)Br 62a_100000188475_100000691529 [0,1,0,0,0,1|2,0,0]=4 3718 B14R1.32 CCOC(=O)CSc1cccc(c1)Br 62a_100000691529_100000188475 [0,1,0,0,0,1|2,0,0]=4 3719 B14R1.32 CCOC(=O)CSc1cccc(c1)C 62a_100000188475_100011215228 [0,1,0,0,0,1|2,0,0]=4 3720 B14R1.32 CCOC(=O)CSc1cccc(c1)C 62a_100011215228_100000188475 [0,1,0,0,0,1|2,0,0]=4 3721 B14R1.32 CCOC(=O)CSc1cccc(c1)Cl 62a_100000188475_100000699651 [0,1,0,0,0,1|2,0,0]=4 3722 B14R1.32 CCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000188475 [0,1,0,0,0,1|2,0,0]=4 3723 B14R1.32 CCOC(=O)CSc1cccc(c1)F 62a_100000188475_100000685547 [0,1,0,0,0,1|2,0,0]=4 3724 B14R1.32 CCOC(=O)CSc1cccc(c1)F 62a_100000685547_100000188475 [0,1,0,0,0,1|2,0,0]=4 3725 B14R1.32 CCOC(=O)CSc1cccc(c1)N 62a_100000188475_100000210019 [0,1,0,0,0,1|2,0,0]=4 3726 B14R1.32 CCOC(=O)CSc1cccc(c1)N 62a_100000210019_100000188475 [0,1,0,0,0,1|2,0,0]=4 3727 B14R1.32 CCOC(=O)CSc1cccc(c1)O 62a_100000188475_100000211634 [0,1,0,0,0,1|2,0,0]=4 3728 B14R1.32 CCOC(=O)CSc1cccc(c1)[S] 62a_100000188475_114929384022 [0,1,0,0,0,1|2,0,0]=4 3729 B14R1.32 CCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000188475 [0,1,0,0,0,1|2,0,0]=4 3730 B14R1.32 CCOC(=O)CSc1cccc(n1)Br 62a_100000188475_100000684672 [0,1,0,0,0,1|2,0,0]=4 3731 B14R1.32 CCOC(=O)CSc1cccc(n1)Br 62a_100000684672_100000188475 [0,1,0,0,0,1|2,0,0]=4 3732 B14R1.32 CCOC(=O)CSc1cccc(n1)C 62a_100000188475_100000742759 [0,1,0,0,0,1|2,0,0]=4 3733 B14R1.32 CCOC(=O)CSc1cccc(n1)C 62a_100000742759_100000188475 [0,1,0,0,0,1|2,0,0]=4 3734 B14R1.32 CCOC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000188475 [0,1,0,0,0,1|2,0,0]=4 3735 B14R1.32 CCOC(=O)CSc1cccc(n1)Cl 62a_100000188475_100000051397 [0,1,0,0,0,1|2,0,0]=4 3736 B14R1.32 CCOC(=O)CSc1cccc(n1)F 62a_100000188475_100009815982 [0,1,0,0,0,1|2,0,0]=4 3737 B14R1.32 CCOC(=O)CSc1cccc(n1)F 62a_100009815982_100000188475 [0,1,0,0,0,1|2,0,0]=4 3738 B14R1.32 CCOC(=O)CSc1cccc(n1)N 62a_100000188475_100000740741 [0,1,0,0,0,1|2,0,0]=4 3739 B14R1.32 CCOC(=O)CSc1cccc(n1)N 62a_100000740741_100000188475 [0,1,0,0,0,1|2,0,0]=4 3740 B14R1.32 CCOC(=O)CSc1ccnc(c1)Br 62a_100000188475_100009814637 [0,1,0,0,0,1|2,0,0]=4 3741 B14R1.32 CCOC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000188475 [0,1,0,0,0,1|2,0,0]=4 3742 B14R1.32 CCOC(=O)CSc1ccnc(c1)C 62a_100000188475_100000758586 [0,1,0,0,0,1|2,0,0]=4 3743 B14R1.32 CCOC(=O)CSc1ccnc(c1)C 62a_100000758586_100000188475 [0,1,0,0,0,1|2,0,0]=4 3744 B14R1.32 CCOC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000188475 [0,1,0,0,0,1|2,0,0]=4 3745 B14R1.32 CCOC(=O)CSc1ccnc(c1)Cl 62a_100000188475_100000035001 [0,1,0,0,0,1|2,0,0]=4 3746 B14R1.32 CCOC(=O)CSc1ccnc(c1)F 62a_100000188475_100009816116 [0,1,0,0,0,1|2,0,0]=4 3747 B14R1.32 CCOC(=O)CSc1ccnc(c1)F 62a_100009816116_100000188475 [0,1,0,0,0,1|2,0,0]=4 3748 B14R1.32 CCOC(=O)CSc1ccnc(c1)N 62a_100000049665_100000188475 [0,1,0,0,0,1|2,0,0]=4 3749 B14R1.32 CCOC(=O)CSc1ccnc(c1)N 62a_100000188475_100000049665 [0,1,0,0,0,1|2,0,0]=4 3750 B14R1.32 CCOC(=O)CSc1ccnc(n1)C 62a_100000188475_100000749937 [0,1,0,0,0,1|2,0,0]=4 3751 B14R1.32 CCOC(=O)CSc1ccnc(n1)C 62a_100000749937_100000188475 [0,1,0,0,0,1|2,0,0]=4 3752 B14R1.32 CCOC(=O)CSc1ccnc(n1)Cl 62a_100000188475_100010154678 [0,1,0,0,0,1|2,0,0]=4 3753 B14R1.32 CCOC(=O)CSc1ccnc(n1)Cl 62a_100010154678_100000188475 [0,1,0,0,0,1|2,0,0]=4 3754 B14R1.32 CCOC(=O)CSc1ccnc(n1)N 62a_100000055538_100000188475 [0,1,0,0,0,1|2,0,0]=4 3755 B14R1.32 CCOC(=O)CSc1ccnc(n1)N 62a_100000188475_100000055538 [0,1,0,0,0,1|2,0,0]=4 3756 B14R1.32 CCOC(=O)CSc1cncc(c1)Br 62a_100000188475_100000728054 [0,1,0,0,0,1|2,0,0]=4 3757 B14R1.32 CCOC(=O)CSc1cncc(c1)Br 62a_100000728054_100000188475 [0,1,0,0,0,1|2,0,0]=4 3758 B14R1.32 CCOC(=O)CSc1cncc(c1)C 62a_100000188475_100000760492 [0,1,0,0,0,1|2,0,0]=4 3759 B14R1.32 CCOC(=O)CSc1cncc(c1)C 62a_100000760492_100000188475 [0,1,0,0,0,1|2,0,0]=4 3760 B14R1.32 CCOC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000188475 [0,1,0,0,0,1|2,0,0]=4 3761 B14R1.32 CCOC(=O)CSc1cncc(c1)Cl 62a_100000188475_100000049639 [0,1,0,0,0,1|2,0,0]=4 3762 B14R1.32 CCOC(=O)CSc1cncc(c1)F 62a_100000188475_100000744099 [0,1,0,0,0,1|2,0,0]=4 3763 B14R1.32 CCOC(=O)CSc1cncc(c1)F 62a_100000744099_100000188475 [0,1,0,0,0,1|2,0,0]=4 3764 B14R1.32 CCOC(=O)CSc1cncc(c1)N 62a_100000188475_100000687067 [0,1,0,0,0,1|2,0,0]=4 3765 B14R1.32 CCOC(=O)CSc1cncc(c1)N 62a_100000687067_100000188475 [0,1,0,0,0,1|2,0,0]=4 3766 B14R1.32 CCOC(=O)CSc1cncc(c1)O 62a_100000188475_100000754920 [0,1,0,0,0,1|2,0,0]=4 3767 B14R1.32 CCOC(=O)CSc1cncc(c1)O 62a_100000754920_100000188475 [0,1,0,0,0,1|2,0,0]=4 3768 B14R1.32 CCOC(=O)CSc1cncc(n1)C 62a_100000188475_100000754123 [0,1,0,0,0,1|2,0,0]=4 3769 B14R1.32 CCOC(=O)CSc1cncc(n1)C 62a_100000754123_100000188475 [0,1,0,0,0,1|2,0,0]=4 3770 B14R1.32 CCOC(=O)CSc1cncc(n1)Cl 62a_100000188475_100010892449 [0,1,0,0,0,1|2,0,0]=4 3771 B14R1.32 CCOC(=O)CSc1cncc(n1)Cl 62a_100010892449_100000188475 [0,1,0,0,0,1|2,0,0]=4 3772 B14R1.32 CCOC(=O)CSc1cncc(n1)F 62a_100000188475_200009863489 [0,1,0,0,0,1|2,0,0]=4 3773 B14R1.32 CCOC(=O)CSc1cncc(n1)F 62a_200009863489_100000188475 [0,1,0,0,0,1|2,0,0]=4 3774 B14R1.32 CCOC(=O)CSc1cncc(n1)N 62a_100000188475_100000747728 [0,1,0,0,0,1|2,0,0]=4 3775 B14R1.32 CCOC(=O)CSc1cncc(n1)N 62a_100000747728_100000188475 [0,1,0,0,0,1|2,0,0]=4 3776 B14R1.32 CCOC(=O)CSc1cncc(n1)O 62a_100000188475_100011269956 [0,1,0,0,0,1|2,0,0]=4 3777 B14R1.32 CCOC(=O)CSc1nccc(n1)C 62a_100000188475_100011243806 [0,1,0,0,0,1|2,0,0]=4 3778 B14R1.32 CCOC(=O)CSc1nccc(n1)C 62a_100011243806_100000188475 [0,1,0,0,0,1|2,0,0]=4 3779 B14R1.32 CCOC(=O)CSc1nccc(n1)N 62a_100000188475_100000757536 [0,1,0,0,0,1|2,0,0]=4 3780 B14R1.32 CCOC(=O)CSc1nccc(n1)N 62a_100000757536_100000188475 [0,1,0,0,0,1|2,0,0]=4 3781 B14R1.32 CCOC(=O)CSc1nccc(n1)O 62a_100000188475_100011649813 [0,1,0,0,0,1|2,0,0]=4 3782 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [0,1,0,0,0,1|2,0,0]=4 3783 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [0,1,0,0,0,1|2,0,0]=4 3784 B14R1.60 CCCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100000210303 [0,1,0,0,0,1|2,0,0]=4 3785 B14R1.60 CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210303 [0,1,0,0,0,1|2,0,0]=4 3786 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 11a_100015525214_100000754839 [0,1,0,0,0,1|2,0,0]=4 3787 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 240690a_100015525214_100000754839 [0,1,0,0,0,1|2,0,0]=4 3788 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 527a_100015525214_100000754839 [0,1,0,0,0,1|2,0,0]=4 3789 B14R1.60 CCNC(=O)C(C)Cc1ccccn1 240690a_100015525214_100012000792 [0,1,0,0,0,1|2,0,0]=4 3790 B14R1.60 CCNC(=O)C(C)Cc1ccccn1 527a_100015525214_100012000792 [0,1,0,0,0,1|2,0,0]=4 3791 B14R1.60 CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100015525214_100009816399 [0,1,0,0,0,1|2,0,0]=4 3792 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100011216346 [0,1,0,0,0,1|2,0,0]=4 3793 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100011216346 [0,1,0,0,0,1|2,0,0]=4 3794 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100011216346 [0,1,0,0,0,1|2,0,0]=4 3795 B14R1.60 CCOC(=O)C(C)Oc1cccnc1 34a_100000210849_100011216346 [0,1,0,0,0,1|2,0,0]=4 3796 B14R1.60 CCOC(=O)C(C)Oc1cccnc1 7a_100000210849_100011216346 [0,1,0,0,0,1|2,0,0]=4 3797 B14R1.60 CCOC(=O)C(C)Oc1ccncc1 34a_100000212176_100011216346 [0,1,0,0,0,1|2,0,0]=4 3798 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100011216346 [0,1,0,0,0,1|2,0,0]=4 3799 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100011216346_100000041952 [0,1,0,0,0,1|2,0,0]=4 3800 B14R1.60 CCOC(=O)C(C)Sc1ccccn1 62a_100011216346_100011216584 [0,1,0,0,0,1|2,0,0]=4 3801 B14R1.60 CCOC(=O)C(C)Sc1ccccn1 62a_100011216584_100011216346 [0,1,0,0,0,1|2,0,0]=4 3802 B14R1.60 CCOC(=O)C(C)Sc1cccnc1 62a_100000210063_100011216346 [0,1,0,0,0,1|2,0,0]=4 3803 B14R1.60 CCOC(=O)C(C)Sc1cccnc1 62a_100011216346_100000210063 [0,1,0,0,0,1|2,0,0]=4 3804 B14R1.60 CCOC(=O)C(C)Sc1cccnn1 62a_100011216346_100016991348 [0,1,0,0,0,1|2,0,0]=4 3805 B14R1.60 CCOC(=O)C(C)Sc1cccnn1 62a_100016991348_100011216346 [0,1,0,0,0,1|2,0,0]=4 3806 B14R1.60 CCOC(=O)C(C)Sc1ccncc1 62a_100000728582_100011216346 [0,1,0,0,0,1|2,0,0]=4 3807 B14R1.60 CCOC(=O)C(C)Sc1ccncc1 62a_100011216346_100000728582 [0,1,0,0,0,1|2,0,0]=4 3808 B14R1.60 CCOC(=O)C(C)Sc1ccncn1 62a_100000703185_100011216346 [0,1,0,0,0,1|2,0,0]=4 3809 B14R1.60 CCOC(=O)C(C)Sc1ccncn1 62a_100011216346_100000703185 [0,1,0,0,0,1|2,0,0]=4 3810 B14R1.60 CCOC(=O)C(C)Sc1cnccn1 62a_100000211759_100011216346 [0,1,0,0,0,1|2,0,0]=4 3811 B14R1.60 CCOC(=O)C(C)Sc1cnccn1 62a_100011216346_100000211759 [0,1,0,0,0,1|2,0,0]=4 3812 B14R1.60 CCOC(=O)C(C)Sc1ncccn1 62a_100000211032_100011216346 [0,1,0,0,0,1|2,0,0]=4 3813 B14R1.60 CCOC(=O)C(C)Sc1ncccn1 62a_100011216346_100000211032 [0,1,0,0,0,1|2,0,0]=4 3814 B14R1.60 CCOC(=O)C(F)Nc1ccccc1 34a_100000106764_100000760018 [0,1,0,0,0,1|2,0,0]=4 3815 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 34a_100000210340_100000760018 [0,1,0,0,0,1|2,0,0]=4 3816 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 7a_100000210340_100000040065 [0,1,0,0,0,1|2,0,0]=4 3817 B14R1.60 CCOC(=O)C(F)Oc1cccnc1 34a_100000210849_100000760018 [0,1,0,0,0,1|2,0,0]=4 3818 B14R1.60 CCOC(=O)C(F)Oc1cccnc1 7a_100000210849_100000040065 [0,1,0,0,0,1|2,0,0]=4 3819 B14R1.60 CCOC(=O)C(F)Oc1ccncc1 34a_100000212176_100000760018 [0,1,0,0,0,1|2,0,0]=4 3820 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000719477_100000760018 [0,1,0,0,0,1|2,0,0]=4 3821 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000760018_100000041952 [0,1,0,0,0,1|2,0,0]=4 3822 B14R1.60 CCOC(=O)C(F)Sc1ccccn1 62a_100000760018_100011216584 [0,1,0,0,0,1|2,0,0]=4 3823 B14R1.60 CCOC(=O)C(F)Sc1ccccn1 62a_100011216584_100000760018 [0,1,0,0,0,1|2,0,0]=4 3824 B14R1.60 CCOC(=O)C(F)Sc1cccnc1 62a_100000210063_100000760018 [0,1,0,0,0,1|2,0,0]=4 3825 B14R1.60 CCOC(=O)C(F)Sc1cccnc1 62a_100000760018_100000210063 [0,1,0,0,0,1|2,0,0]=4 3826 B14R1.60 CCOC(=O)C(F)Sc1cccnn1 62a_100000760018_100016991348 [0,1,0,0,0,1|2,0,0]=4 3827 B14R1.60 CCOC(=O)C(F)Sc1cccnn1 62a_100016991348_100000760018 [0,1,0,0,0,1|2,0,0]=4 3828 B14R1.60 CCOC(=O)C(F)Sc1ccncc1 62a_100000728582_100000760018 [0,1,0,0,0,1|2,0,0]=4 3829 B14R1.60 CCOC(=O)C(F)Sc1ccncc1 62a_100000760018_100000728582 [0,1,0,0,0,1|2,0,0]=4 3830 B14R1.60 CCOC(=O)C(F)Sc1ccncn1 62a_100000703185_100000760018 [0,1,0,0,0,1|2,0,0]=4 3831 B14R1.60 CCOC(=O)C(F)Sc1ccncn1 62a_100000760018_100000703185 [0,1,0,0,0,1|2,0,0]=4 3832 B14R1.60 CCOC(=O)C(F)Sc1cnccn1 62a_100000211759_100000760018 [0,1,0,0,0,1|2,0,0]=4 3833 B14R1.60 CCOC(=O)C(F)Sc1cnccn1 62a_100000760018_100000211759 [0,1,0,0,0,1|2,0,0]=4 3834 B14R1.60 CCOC(=O)C(F)Sc1ncccn1 62a_100000211032_100000760018 [0,1,0,0,0,1|2,0,0]=4 3835 B14R1.60 CCOC(=O)C(F)Sc1ncccn1 62a_100000760018_100000211032 [0,1,0,0,0,1|2,0,0]=4 3836 B14R1.156 CCC#CC(=O)CCc1ccccc1 1458a_100011827653_100000765856 [0,1,0,0,0,1|2,0,0]=4 3837 B14R1.156 CCC#CC(=O)CCc1ccccn1 1458a_100011827653_100015183660 [0,1,0,0,0,1|2,0,0]=4 3838 B14R1.156 CCC#CC(=O)CCc1cccnc1 1458a_100011827653_200011713674 [0,1,0,0,0,1|2,0,0]=4 3839 B14R1.156 CCC#CC(=O)CCc1ccncc1 1458a_100011827653_100000723409 [0,1,0,0,0,1|2,0,0]=4 3840 B14R1.156 CCC=CC(=O)CCc1ccccc1 1458a_100000212282_100000765856 [0,1,0,0,0,1|2,0,0]=4 3841 B14R1.156 CCC=CC(=O)CCc1ccccn1 1458a_100000212282_100015183660 [0,1,0,0,0,1|2,0,0]=4 3842 B14R1.156 CCC=CC(=O)CCc1cccnc1 1458a_100000212282_200011713674 [0,1,0,0,0,1|2,0,0]=4 3843 B14R1.156 CCC=CC(=O)CCc1ccncc1 1458a_100000212282_100000723409 [0,1,0,0,0,1|2,0,0]=4 3844 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [0,1,0,0,0,1|2,0,0]=4 3845 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [0,1,0,0,0,1|2,0,0]=4 3846 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100000210183_100015183660 [0,1,0,0,0,1|2,0,0]=4 3847 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210211 [0,1,0,0,0,1|2,0,0]=4 3848 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210211 [0,1,0,0,0,1|2,0,0]=4 3849 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000210183_200011713674 [0,1,0,0,0,1|2,0,0]=4 3850 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100000210183_100000723409 [0,1,0,0,0,1|2,0,0]=4 3851 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100011225043_100000210211 [0,1,0,0,0,1|2,0,0]=4 3852 B14R1.156 CCCNC(=O)CCc1ccccc1 11a_100020643023_100000185753 [0,1,0,0,0,1|2,0,0]=4 3853 B14R1.156 CCCNC(=O)CCc1ccccc1 1626a_100020643023_100000185753 [0,1,0,0,0,1|2,0,0]=4 3854 B14R1.156 CCCNC(=O)CCc1ccccc1 240690a_100020643023_100000185753 [0,1,0,0,0,1|2,0,0]=4 3855 B14R1.156 CCCNC(=O)CCc1ccccc1 527a_100020643023_100000185753 [0,1,0,0,0,1|2,0,0]=4 3856 B14R1.156 CCCNC(=O)CCc1ccccn1 11a_100020643023_100015195070 [0,1,0,0,0,1|2,0,0]=4 3857 B14R1.156 CCCNC(=O)CCc1ccccn1 240690a_100020643023_100015195070 [0,1,0,0,0,1|2,0,0]=4 3858 B14R1.156 CCCNC(=O)CCc1ccccn1 527a_100020643023_100015195070 [0,1,0,0,0,1|2,0,0]=4 3859 B14R1.156 CCCNC(=O)CCc1cccnc1 11a_100020643023_100000198484 [0,1,0,0,0,1|2,0,0]=4 3860 B14R1.156 CCCNC(=O)CCc1cccnc1 1626a_100020643023_100000198484 [0,1,0,0,0,1|2,0,0]=4 3861 B14R1.156 CCCNC(=O)CCc1cccnc1 240690a_100020643023_100000198484 [0,1,0,0,0,1|2,0,0]=4 3862 B14R1.156 CCCNC(=O)CCc1cccnc1 527a_100020643023_100000198484 [0,1,0,0,0,1|2,0,0]=4 3863 B14R1.156 CCCNC(=O)CCc1ccncc1 11a_100020643023_100011225043 [0,1,0,0,0,1|2,0,0]=4 3864 B14R1.156 CCCNC(=O)CCc1ccncc1 240690a_100020643023_100011225043 [0,1,0,0,0,1|2,0,0]=4 3865 B14R1.156 CCCNC(=O)CCc1ccncc1 527a_100020643023_100011225043 [0,1,0,0,0,1|2,0,0]=4 3866 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [0,1,0,0,0,1|2,0,0]=4 3867 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [0,1,0,0,0,1|2,0,0]=4 3868 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [0,1,0,0,0,1|2,0,0]=4 3869 B14R1.156 CCCOC(=O)COc1cccnc1 34a_100000210849_200011215008 [0,1,0,0,0,1|2,0,0]=4 3870 B14R1.156 CCCOC(=O)COc1cccnc1 7a_100000210849_200011215008 [0,1,0,0,0,1|2,0,0]=4 3871 B14R1.156 CCCOC(=O)COc1ccncc1 34a_100000212176_200011215008 [0,1,0,0,0,1|2,0,0]=4 3872 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [0,1,0,0,0,1|2,0,0]=4 3873 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [0,1,0,0,0,1|2,0,0]=4 3874 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_100011216584_200011215008 [0,1,0,0,0,1|2,0,0]=4 3875 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_200011215008_100011216584 [0,1,0,0,0,1|2,0,0]=4 3876 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_100000210063_200011215008 [0,1,0,0,0,1|2,0,0]=4 3877 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_200011215008_100000210063 [0,1,0,0,0,1|2,0,0]=4 3878 B14R1.156 CCCOC(=O)CSc1cccnn1 62a_100016991348_200011215008 [0,1,0,0,0,1|2,0,0]=4 3879 B14R1.156 CCCOC(=O)CSc1cccnn1 62a_200011215008_100016991348 [0,1,0,0,0,1|2,0,0]=4 3880 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_100000728582_200011215008 [0,1,0,0,0,1|2,0,0]=4 3881 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_200011215008_100000728582 [0,1,0,0,0,1|2,0,0]=4 3882 B14R1.156 CCCOC(=O)CSc1ccncn1 62a_100000703185_200011215008 [0,1,0,0,0,1|2,0,0]=4 3883 B14R1.156 CCCOC(=O)CSc1ccncn1 62a_200011215008_100000703185 [0,1,0,0,0,1|2,0,0]=4 3884 B14R1.156 CCCOC(=O)CSc1cnccn1 62a_100000211759_200011215008 [0,1,0,0,0,1|2,0,0]=4 3885 B14R1.156 CCCOC(=O)CSc1cnccn1 62a_200011215008_100000211759 [0,1,0,0,0,1|2,0,0]=4 3886 B14R1.156 CCCOC(=O)CSc1ncccn1 62a_100000211032_200011215008 [0,1,0,0,0,1|2,0,0]=4 3887 B14R1.156 CCCOC(=O)CSc1ncccn1 62a_200011215008_100000211032 [0,1,0,0,0,1|2,0,0]=4 3888 B14R1.156 CCNCC(=O)CCc1ccccc1 2230a_100015525214_100012361361 [0,1,0,0,0,1|2,0,0]=4 3889 B14R1.156 CCNNC(=O)CCc1ccccc1 22a_100000756455_100000185753 [0,1,0,0,0,1|2,0,0]=4 3890 B14R1.156 CCNNC(=O)CCc1ccccn1 22a_100000756455_100015195070 [0,1,0,0,0,1|2,0,0]=4 3891 B14R1.156 CCNNC(=O)CCc1cccnc1 22a_100000756455_100000198484 [0,1,0,0,0,1|2,0,0]=4 3892 B14R1.156 CCNNC(=O)CCc1ccncc1 22a_100000756455_100011225043 [0,1,0,0,0,1|2,0,0]=4 3893 B14R1.156 CCOCC(=O)CCc1ccccc1 1458a_100000211967_100000765856 [0,1,0,0,0,1|1,0,0]=3 3894 B14R1.156 CCOCC(=O)CCc1ccccc1 34a_100121572206_100012361361 [0,1,0,0,0,1|1,0,0]=3 3895 B14R1.156 CCOCC(=O)CCc1ccccn1 1458a_100000211967_100015183660 [0,1,0,0,0,1|1,0,0]=3 3896 B14R1.156 CCOCC(=O)CCc1cccnc1 1458a_100000211967_200011713674 [0,1,0,0,0,1|1,0,0]=3 3897 B14R1.156 CCOCC(=O)CCc1ccncc1 1458a_100000211967_100000723409 [0,1,0,0,0,1|1,0,0]=3 3898 B14R1.156 CCOCC(=O)NCc1ccccc1 11a_100015324214_100000211967 [0,1,0,0,0,1|2,0,0]=4 3899 B14R1.156 CCOCC(=O)NCc1ccccc1 1626a_100015324214_100000211967 [0,1,0,0,0,1|2,0,0]=4 3900 B14R1.156 CCOCC(=O)NCc1ccccc1 240690a_100015324214_100000211967 [0,1,0,0,0,1|2,0,0]=4 3901 B14R1.156 CCOCC(=O)NCc1ccccc1 34a_100121572206_100000183539 [0,1,0,0,0,1|2,0,0]=4 3902 B14R1.156 CCOCC(=O)NCc1ccccc1 527a_100015324214_100000211967 [0,1,0,0,0,1|2,0,0]=4 3903 B14R1.156 CCOCC(=O)NCc1ccccn1 11a_100000210449_100000211967 [0,1,0,0,0,1|2,0,0]=4 3904 B14R1.156 CCOCC(=O)NCc1ccccn1 1626a_100000210449_100000211967 [0,1,0,0,0,1|2,0,0]=4 3905 B14R1.156 CCOCC(=O)NCc1ccccn1 240690a_100000210449_100000211967 [0,1,0,0,0,1|2,0,0]=4 3906 B14R1.156 CCOCC(=O)NCc1ccccn1 34a_100121572206_100000684169 [0,1,0,0,0,1|2,0,0]=4 3907 B14R1.156 CCOCC(=O)NCc1ccccn1 527a_100000210449_100000211967 [0,1,0,0,0,1|2,0,0]=4 3908 B14R1.156 CCOCC(=O)NCc1cccnc1 11a_100000210453_100000211967 [0,1,0,0,0,1|2,0,0]=4 3909 B14R1.156 CCOCC(=O)NCc1cccnc1 240690a_100000210453_100000211967 [0,1,0,0,0,1|2,0,0]=4 3910 B14R1.156 CCOCC(=O)NCc1cccnc1 527a_100000210453_100000211967 [0,1,0,0,0,1|2,0,0]=4 3911 B14R1.156 CCOCC(=O)NCc1cccnn1 11a_100159270163_100000211967 [0,1,0,0,0,1|2,0,0]=4 3912 B14R1.156 CCOCC(=O)NCc1cccnn1 240690a_100159270163_100000211967 [0,1,0,0,0,1|2,0,0]=4 3913 B14R1.156 CCOCC(=O)NCc1cccnn1 527a_100159270163_100000211967 [0,1,0,0,0,1|2,0,0]=4 3914 B14R1.156 CCOCC(=O)NCc1ccncc1 11a_100000210450_100000211967 [0,1,0,0,0,1|2,0,0]=4 3915 B14R1.156 CCOCC(=O)NCc1ccncc1 1626a_100000210450_100000211967 [0,1,0,0,0,1|2,0,0]=4 3916 B14R1.156 CCOCC(=O)NCc1ccncc1 240690a_100000210450_100000211967 [0,1,0,0,0,1|2,0,0]=4 3917 B14R1.156 CCOCC(=O)NCc1ccncc1 527a_100000210450_100000211967 [0,1,0,0,0,1|2,0,0]=4 3918 B14R1.156 CCOCC(=O)NCc1ccncn1 11a_100000736019_100000211967 [0,1,0,0,0,1|2,0,0]=4 3919 B14R1.156 CCOCC(=O)NCc1ccncn1 240690a_100000736019_100000211967 [0,1,0,0,0,1|2,0,0]=4 3920 B14R1.156 CCOCC(=O)NCc1ccncn1 527a_100000736019_100000211967 [0,1,0,0,0,1|2,0,0]=4 3921 B14R1.156 CCOCC(=O)NCc1cnccn1 11a_100000737960_100000211967 [0,1,0,0,0,1|2,0,0]=4 3922 B14R1.156 CCOCC(=O)NCc1cnccn1 240690a_100000737960_100000211967 [0,1,0,0,0,1|2,0,0]=4 3923 B14R1.156 CCOCC(=O)NCc1cnccn1 527a_100000737960_100000211967 [0,1,0,0,0,1|2,0,0]=4 3924 B14R1.156 CCOCC(=O)NCc1ncccn1 11a_100015189908_100000211967 [0,1,0,0,0,1|2,0,0]=4 3925 B14R1.156 CCOCC(=O)NCc1ncccn1 240690a_100015189908_100000211967 [0,1,0,0,0,1|2,0,0]=4 3926 B14R1.156 CCOCC(=O)NCc1ncccn1 527a_100015189908_100000211967 [0,1,0,0,0,1|2,0,0]=4 3927 B14R1.156 CCOCC(=O)OCc1ccccc1 34a_100121572206_100000753625 [0,1,0,0,0,1|2,0,0]=4 3928 B14R1.156 CCSCC(=O)CCc1ccccc1 1458a_100000230394_100000765856 [0,1,0,0,0,1|1,1,0]=4 3929 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100000210202_100012361361 [0,1,0,0,0,1|1,1,0]=4 3930 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100012361361_100000210202 [0,1,0,0,0,1|1,1,0]=4 3931 B14R1.156 CCSCC(=O)CCc1ccccn1 1458a_100000230394_100015183660 [0,1,0,0,0,1|1,1,0]=4 3932 B14R1.156 CCSCC(=O)CCc1cccnc1 1458a_100000230394_200011713674 [0,1,0,0,0,1|1,1,0]=4 3933 B14R1.156 CCSCC(=O)CCc1ccncc1 1458a_100000230394_100000723409 [0,1,0,0,0,1|1,1,0]=4 3934 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000185753_100000233755 [0,1,0,0,0,1|2,0,0]=4 3935 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000749529_100000765856 [0,1,0,0,0,1|2,0,0]=4 3936 B14R1.156 COCCC(=O)CCc1ccccn1 1458a_100000749529_100015183660 [0,1,0,0,0,1|2,0,0]=4 3937 B14R1.156 COCCC(=O)CCc1ccccn1 1458a_100015195070_100000233755 [0,1,0,0,0,1|2,0,0]=4 3938 B14R1.156 COCCC(=O)CCc1cccnc1 1458a_100000198484_100000233755 [0,1,0,0,0,1|2,0,0]=4 3939 B14R1.156 COCCC(=O)CCc1cccnc1 1458a_100000749529_200011713674 [0,1,0,0,0,1|2,0,0]=4 3940 B14R1.156 COCCC(=O)CCc1ccncc1 1458a_100000749529_100000723409 [0,1,0,0,0,1|2,0,0]=4 3941 B14R1.156 COCCC(=O)CCc1ccncc1 1458a_100011225043_100000233755 [0,1,0,0,0,1|2,0,0]=4 3942 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000174002_100000765856 [0,1,0,0,0,1|2,0,0]=4 3943 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000185753_100000751147 [0,1,0,0,0,1|2,0,0]=4 3944 B14R1.156 CSCCC(=O)CCc1ccccn1 1458a_100000174002_100015183660 [0,1,0,0,0,1|2,0,0]=4 3945 B14R1.156 CSCCC(=O)CCc1ccccn1 1458a_100015195070_100000751147 [0,1,0,0,0,1|2,0,0]=4 3946 B14R1.156 CSCCC(=O)CCc1cccnc1 1458a_100000174002_200011713674 [0,1,0,0,0,1|2,0,0]=4 3947 B14R1.156 CSCCC(=O)CCc1cccnc1 1458a_100000198484_100000751147 [0,1,0,0,0,1|2,0,0]=4 3948 B14R1.156 CSCCC(=O)CCc1ccncc1 1458a_100000174002_100000723409 [0,1,0,0,0,1|2,0,0]=4 3949 B14R1.156 CSCCC(=O)CCc1ccncc1 1458a_100011225043_100000751147 [0,1,0,0,0,1|2,0,0]=4 3950 B14R1.156 O=C(CCCF)CCc1ccccc1 1458a_100000185753_100011934791 [0,1,0,0,0,1|2,0,0]=4 3951 B14R1.156 O=C(CCCF)CCc1ccccn1 1458a_100015195070_100011934791 [0,1,0,0,0,1|2,0,0]=4 3952 B14R1.156 O=C(CCCF)CCc1cccnc1 1458a_100000198484_100011934791 [0,1,0,0,0,1|2,0,0]=4 3953 B14R1.156 O=C(CCCF)CCc1ccncc1 1458a_100011225043_100011934791 [0,1,0,0,0,1|2,0,0]=4 3954 B14R1.156 O=C(CCCO)CCc1ccccc1 1458a_100000185753_100011215043 [0,1,0,0,0,1|2,0,0]=4 3955 B14R1.156 O=C(CCCO)CCc1ccccn1 1458a_100015195070_100011215043 [0,1,0,0,0,1|2,0,0]=4 3956 B14R1.156 O=C(CCCO)CCc1cccnc1 1458a_100000198484_100011215043 [0,1,0,0,0,1|2,0,0]=4 3957 B14R1.156 O=C(CCCO)CCc1ccncc1 1458a_100011225043_100011215043 [0,1,0,0,0,1|2,0,0]=4 3958 B14R1.156 O=C(CCc1ccccc1)NCCF 11a_100000724931_100000185753 [0,1,0,0,0,1|2,0,0]=4 3959 B14R1.156 O=C(CCc1ccccc1)NCCF 1626a_100000724931_100000185753 [0,1,0,0,0,1|2,0,0]=4 3960 B14R1.156 O=C(CCc1ccccc1)NCCF 240690a_100000724931_100000185753 [0,1,0,0,0,1|2,0,0]=4 3961 B14R1.156 O=C(CCc1ccccc1)NCCF 527a_100000724931_100000185753 [0,1,0,0,0,1|2,0,0]=4 3962 B14R1.156 O=C(CCc1ccccc1)NCCO 240690a_100000210304_100000185753 [0,1,0,0,0,1|2,0,0]=4 3963 B14R1.156 O=C(CCc1ccccc1)NCCO 527a_100000210304_100000185753 [0,1,0,0,0,1|2,0,0]=4 3964 B14R1.156 O=C(CCc1ccccn1)NCCF 11a_100000724931_100015195070 [0,1,0,0,0,1|2,0,0]=4 3965 B14R1.156 O=C(CCc1ccccn1)NCCF 240690a_100000724931_100015195070 [0,1,0,0,0,1|2,0,0]=4 3966 B14R1.156 O=C(CCc1ccccn1)NCCF 527a_100000724931_100015195070 [0,1,0,0,0,1|2,0,0]=4 3967 B14R1.156 O=C(CCc1ccccn1)NCCO 240690a_100000210304_100015195070 [0,1,0,0,0,1|2,0,0]=4 3968 B14R1.156 O=C(CCc1ccccn1)NCCO 527a_100000210304_100015195070 [0,1,0,0,0,1|2,0,0]=4 3969 B14R1.156 O=C(CCc1cccnc1)NCCF 11a_100000724931_100000198484 [0,1,0,0,0,1|2,0,0]=4 3970 B14R1.156 O=C(CCc1cccnc1)NCCF 1626a_100000724931_100000198484 [0,1,0,0,0,1|2,0,0]=4 3971 B14R1.156 O=C(CCc1cccnc1)NCCF 240690a_100000724931_100000198484 [0,1,0,0,0,1|2,0,0]=4 3972 B14R1.156 O=C(CCc1cccnc1)NCCF 527a_100000724931_100000198484 [0,1,0,0,0,1|2,0,0]=4 3973 B14R1.156 O=C(CCc1cccnc1)NCCO 240690a_100000210304_100000198484 [0,1,0,0,0,1|2,0,0]=4 3974 B14R1.156 O=C(CCc1cccnc1)NCCO 527a_100000210304_100000198484 [0,1,0,0,0,1|2,0,0]=4 3975 B14R1.156 O=C(CCc1ccncc1)NCCF 11a_100000724931_100011225043 [0,1,0,0,0,1|2,0,0]=4 3976 B14R1.156 O=C(CCc1ccncc1)NCCF 240690a_100000724931_100011225043 [0,1,0,0,0,1|2,0,0]=4 3977 B14R1.156 O=C(CCc1ccncc1)NCCF 527a_100000724931_100011225043 [0,1,0,0,0,1|2,0,0]=4 3978 B14R1.156 O=C(CCc1ccncc1)NCCO 240690a_100000210304_100011225043 [0,1,0,0,0,1|2,0,0]=4 3979 B14R1.156 O=C(CCc1ccncc1)NCCO 527a_100000210304_100011225043 [0,1,0,0,0,1|2,0,0]=4 3980 B14R1.502 CCCC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_100000210303 [0,1,0,0,0,1|2,0,0]=4 3981 B14R1.502 CCCC(=O)CCc1ccc(cc1)Br 1458a_100000211992_100011740612 [0,1,0,0,0,1|2,0,0]=4 3982 B14R1.502 CCCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210303 [0,1,0,0,0,1|2,0,0]=4 3983 B14R1.502 CCCC(=O)CCc1ccc(cc1)C 1458a_100000211992_100011713686 [0,1,0,0,0,1|2,0,0]=4 3984 B14R1.502 CCCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210303 [0,1,0,0,0,1|2,0,0]=4 3985 B14R1.502 CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000211992_100011713675 [0,1,0,0,0,1|2,0,0]=4 3986 B14R1.502 CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210303 [0,1,0,0,0,1|2,0,0]=4 3987 B14R1.502 CCCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210303 [0,1,0,0,0,1|2,0,0]=4 3988 B14R1.502 CCCC(=O)CCc1ccc(cc1)F 1458a_100000211992_100011217392 [0,1,0,0,0,1|2,0,0]=4 3989 B14R1.502 CCCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210303 [0,1,0,0,0,1|2,0,0]=4 3990 B14R1.502 CCCC(=O)CCc1ccc(cc1)O 1458a_100000211992_100009816426 [0,1,0,0,0,1|2,0,0]=4 3991 B14R1.502 CCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210303 [0,1,0,0,0,1|2,0,0]=4 3992 B14R1.502 CCNC(=O)CCc1ccc(=O)[nH]n1 240690a_100015525214_200015201340 [0,1,0,0,0,1|2,0,0]=4 3993 B14R1.502 CCNC(=O)CCc1ccc(=O)[nH]n1 527a_100015525214_200015201340 [0,1,0,0,0,1|2,0,0]=4 3994 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 11a_100015525214_100000217147 [0,1,0,0,0,1|2,0,0]=4 3995 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 240690a_100015525214_100000217147 [0,1,0,0,0,1|2,0,0]=4 3996 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 527a_100015525214_100000217147 [0,1,0,0,0,1|2,0,0]=4 3997 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 11a_100015525214_100000234883 [0,1,0,0,0,1|2,0,0]=4 3998 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 240690a_100015525214_100000234883 [0,1,0,0,0,1|2,0,0]=4 3999 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 527a_100015525214_100000234883 [0,1,0,0,0,1|2,0,0]=4 4000 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 11a_100015525214_100000235379 [0,1,0,0,0,1|2,0,0]=4 4001 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 240690a_100015525214_100000235379 [0,1,0,0,0,1|2,0,0]=4 4002 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 527a_100015525214_100000235379 [0,1,0,0,0,1|2,0,0]=4 4003 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 11a_100015525214_100000198493 [0,1,0,0,0,1|2,0,0]=4 4004 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 240690a_100015525214_100000198493 [0,1,0,0,0,1|2,0,0]=4 4005 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 527a_100015525214_100000198493 [0,1,0,0,0,1|2,0,0]=4 4006 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 11a_100015525214_100011217499 [0,1,0,0,0,1|2,0,0]=4 4007 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 240690a_100015525214_100011217499 [0,1,0,0,0,1|2,0,0]=4 4008 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 527a_100015525214_100011217499 [0,1,0,0,0,1|2,0,0]=4 4009 B14R1.502 CCNC(=O)CCc1ccc(cc1)O 240690a_100015525214_100000742835 [0,1,0,0,0,1|2,0,0]=4 4010 B14R1.502 CCOC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012353604 [0,1,0,0,0,1|1,0,0]=3 4011 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000188475 [0,1,0,0,0,1|2,0,0]=4 4012 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000188475 [0,1,0,0,0,1|2,0,0]=4 4013 B14R1.502 CCOC(=O)CNc1ccc(cc1)C 34a_100000124888_100000188475 [0,1,0,0,0,1|2,0,0]=4 4014 B14R1.502 CCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000188475 [0,1,0,0,0,1|2,0,0]=4 4015 B14R1.502 CCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000188475 [0,1,0,0,0,1|2,0,0]=4 4016 B14R1.502 CCOC(=O)CNc1ccc(cc1)F 34a_100000185862_100000188475 [0,1,0,0,0,1|2,0,0]=4 4017 B14R1.502 CCOC(=O)CNc1ccc(cc1)I 34a_100000185761_100000188475 [0,1,0,0,0,1|2,0,0]=4 4018 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 271570a_203496583355_200000220479 [0,1,0,0,0,1|2,0,0]=4 4019 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 34a_100000185829_100000188475 [0,1,0,0,0,1|2,0,0]=4 4020 B14R1.502 CCOC(=O)CNc1ncc(cn1)O 271570a_203496583355_200011938824 [0,1,0,0,0,1|2,0,0]=4 4021 B14R1.502 CCOC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000188475 [0,1,0,0,0,1|2,0,0]=4 4022 B14R1.502 CCOC(=O)COc1ccc(cc1)Br 34a_100000185759_100000188475 [0,1,0,0,0,1|2,0,0]=4 4023 B14R1.502 CCOC(=O)COc1ccc(cc1)Br 7a_100000185759_100000188475 [0,1,0,0,0,1|2,0,0]=4 4024 B14R1.502 CCOC(=O)COc1ccc(cc1)C 34a_100000210336_100000188475 [0,1,0,0,0,1|2,0,0]=4 4025 B14R1.502 CCOC(=O)COc1ccc(cc1)C 7a_100000210336_100000188475 [0,1,0,0,0,1|2,0,0]=4 4026 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000188475 [0,1,0,0,0,1|2,0,0]=4 4027 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000188475 [0,1,0,0,0,1|2,0,0]=4 4028 B14R1.502 CCOC(=O)COc1ccc(cc1)F 34a_100000210339_100000188475 [0,1,0,0,0,1|2,0,0]=4 4029 B14R1.502 CCOC(=O)COc1ccc(cc1)I 34a_100000212066_100000188475 [0,1,0,0,0,1|2,0,0]=4 4030 B14R1.502 CCOC(=O)COc1ccc(cc1)I 7a_100000212066_100000188475 [0,1,0,0,0,1|2,0,0]=4 4031 B14R1.502 CCOC(=O)COc1ccc(cc1)N 34a_100000185829_100000188475 [0,1,0,0,0,1|2,0,0]=4 4032 B14R1.502 CCOC(=O)COc1ccc(cc1)O 271570a_203496583355_100000170664 [0,1,0,0,0,1|2,0,0]=4 4033 B14R1.502 CCOC(=O)COc1ccc(cn1)C 34a_100000759353_100000188475 [0,1,0,0,0,1|2,0,0]=4 4034 B14R1.502 CCOC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000188475 [0,1,0,0,0,1|2,0,0]=4 4035 B14R1.502 CCOC(=O)COc1ccc(cn1)F 34a_100000742473_100000188475 [0,1,0,0,0,1|2,0,0]=4 4036 B14R1.502 CCOC(=O)COc1ccc(cn1)N 34a_100000729260_100000188475 [0,1,0,0,0,1|2,0,0]=4 4037 B14R1.502 CCOC(=O)COc1ccc(nc1)Br 34a_100000685995_100000188475 [0,1,0,0,0,1|2,0,0]=4 4038 B14R1.502 CCOC(=O)COc1ccc(nc1)Br 7a_100000685995_100000188475 [0,1,0,0,0,1|2,0,0]=4 4039 B14R1.502 CCOC(=O)COc1ccc(nc1)C 34a_100000745506_100000188475 [0,1,0,0,0,1|2,0,0]=4 4040 B14R1.502 CCOC(=O)COc1ccc(nc1)C 7a_100000745506_100000188475 [0,1,0,0,0,1|2,0,0]=4 4041 B14R1.502 CCOC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000188475 [0,1,0,0,0,1|2,0,0]=4 4042 B14R1.502 CCOC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000188475 [0,1,0,0,0,1|2,0,0]=4 4043 B14R1.502 CCOC(=O)COc1ccc(nc1)F 34a_100000688820_100000188475 [0,1,0,0,0,1|2,0,0]=4 4044 B14R1.502 CCOC(=O)COc1ccc(nc1)F 7a_100000688820_100000188475 [0,1,0,0,0,1|2,0,0]=4 4045 B14R1.502 CCOC(=O)COc1ccc(nc1)I 34a_100000687607_100000188475 [0,1,0,0,0,1|2,0,0]=4 4046 B14R1.502 CCOC(=O)COc1ccc(nc1)I 7a_100000687607_100000188475 [0,1,0,0,0,1|2,0,0]=4 4047 B14R1.502 CCOC(=O)COc1ccc(nc1)N 34a_100015188713_100000188475 [0,1,0,0,0,1|2,0,0]=4 4048 B14R1.502 CCOC(=O)COc1ccc(nc1)N 7a_100015188713_100000188475 [0,1,0,0,0,1|2,0,0]=4 4049 B14R1.502 CCOC(=O)COc1cnc(cn1)Br 34a_100011934580_100000188475 [0,1,0,0,0,1|2,0,0]=4 4050 B14R1.502 CCOC(=O)COc1cnc(cn1)Cl 34a_100015839800_100000188475 [0,1,0,0,0,1|2,0,0]=4 4051 B14R1.502 CCOC(=O)COc1ncc(cn1)F 34a_100011934040_100000188475 [0,1,0,0,0,1|2,0,0]=4 4052 B14R1.502 CCOC(=O)CSc1cc[n+](cc1)[O-] 62a_100000188475_100000039755 [0,1,0,0,0,1|2,0,0]=4 4053 B14R1.502 CCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000188475_100000212171 [0,1,0,0,0,1|2,0,0]=4 4054 B14R1.502 CCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000188475 [0,1,0,0,0,1|2,0,0]=4 4055 B14R1.502 CCOC(=O)CSc1ccc(=O)[nH]n1 62a_100000188475_100009820020 [0,1,0,0,0,1|2,0,0]=4 4056 B14R1.502 CCOC(=O)CSc1ccc(=O)[nH]n1 62a_100009820020_100000188475 [0,1,0,0,0,1|2,0,0]=4 4057 B14R1.502 CCOC(=O)CSc1ccc(cc1)Br 62a_100000188475_100000752885 [0,1,0,0,0,1|2,0,0]=4 4058 B14R1.502 CCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000188475 [0,1,0,0,0,1|2,0,0]=4 4059 B14R1.502 CCOC(=O)CSc1ccc(cc1)C 62a_100000186775_100000188475 [0,1,0,0,0,1|2,0,0]=4 4060 B14R1.502 CCOC(=O)CSc1ccc(cc1)C 62a_100000188475_100000186775 [0,1,0,0,0,1|2,0,0]=4 4061 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl 62a_100000188475_100000755918 [0,1,0,0,0,1|2,0,0]=4 4062 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000188475 [0,1,0,0,0,1|2,0,0]=4 4063 B14R1.502 CCOC(=O)CSc1ccc(cc1)F 62a_100000188475_100000211213 [0,1,0,0,0,1|2,0,0]=4 4064 B14R1.502 CCOC(=O)CSc1ccc(cc1)F 62a_100000211213_100000188475 [0,1,0,0,0,1|2,0,0]=4 4065 B14R1.502 CCOC(=O)CSc1ccc(cc1)N 62a_100000185761_100000188475 [0,1,0,0,0,1|2,0,0]=4 4066 B14R1.502 CCOC(=O)CSc1ccc(cc1)N 62a_100000188475_100000185761 [0,1,0,0,0,1|2,0,0]=4 4067 B14R1.502 CCOC(=O)CSc1ccc(cc1)O 62a_100000188475_100000185759 [0,1,0,0,0,1|2,0,0]=4 4068 B14R1.502 CCOC(=O)CSc1ccc(cn1)Br 62a_100000188475_100000686858 [0,1,0,0,0,1|2,0,0]=4 4069 B14R1.502 CCOC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000188475 [0,1,0,0,0,1|2,0,0]=4 4070 B14R1.502 CCOC(=O)CSc1ccc(cn1)C 62a_100000188475_100000754016 [0,1,0,0,0,1|2,0,0]=4 4071 B14R1.502 CCOC(=O)CSc1ccc(cn1)C 62a_100011192072_100000188475 [0,1,0,0,0,1|2,0,0]=4 4072 B14R1.502 CCOC(=O)CSc1ccc(cn1)Cl 62a_100000188475_100011356976 [0,1,0,0,0,1|2,0,0]=4 4073 B14R1.502 CCOC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000188475 [0,1,0,0,0,1|2,0,0]=4 4074 B14R1.502 CCOC(=O)CSc1ccc(cn1)F 62a_100000188475_100000744514 [0,1,0,0,0,1|2,0,0]=4 4075 B14R1.502 CCOC(=O)CSc1ccc(cn1)F 62a_100000744514_100000188475 [0,1,0,0,0,1|2,0,0]=4 4076 B14R1.502 CCOC(=O)CSc1ccc(cn1)N 62a_100000188475_100000737798 [0,1,0,0,0,1|2,0,0]=4 4077 B14R1.502 CCOC(=O)CSc1ccc(cn1)N 62a_100000737798_100000188475 [0,1,0,0,0,1|2,0,0]=4 4078 B14R1.502 CCOC(=O)CSc1ccc(cn1)O 62a_100000188475_100000744096 [0,1,0,0,0,1|2,0,0]=4 4079 B14R1.502 CCOC(=O)CSc1ccc(cn1)O 62a_100000685995_100000188475 [0,1,0,0,0,1|2,0,0]=4 4080 B14R1.502 CCOC(=O)CSc1ccc(nc1)Br 62a_100000188475_100009814638 [0,1,0,0,0,1|2,0,0]=4 4081 B14R1.502 CCOC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000188475 [0,1,0,0,0,1|2,0,0]=4 4082 B14R1.502 CCOC(=O)CSc1ccc(nc1)C 62a_100000188475_100000751577 [0,1,0,0,0,1|2,0,0]=4 4083 B14R1.502 CCOC(=O)CSc1ccc(nc1)C 62a_100000751577_100000188475 [0,1,0,0,0,1|2,0,0]=4 4084 B14R1.502 CCOC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000188475 [0,1,0,0,0,1|2,0,0]=4 4085 B14R1.502 CCOC(=O)CSc1ccc(nc1)Cl 62a_100000188475_100000034144 [0,1,0,0,0,1|2,0,0]=4 4086 B14R1.502 CCOC(=O)CSc1ccc(nc1)F 62a_100000042367_100000188475 [0,1,0,0,0,1|2,0,0]=4 4087 B14R1.502 CCOC(=O)CSc1ccc(nc1)F 62a_100000188475_100000042367 [0,1,0,0,0,1|2,0,0]=4 4088 B14R1.502 CCOC(=O)CSc1ccc(nc1)N 62a_100000187370_100000188475 [0,1,0,0,0,1|2,0,0]=4 4089 B14R1.502 CCOC(=O)CSc1ccc(nc1)N 62a_100000188475_100000187370 [0,1,0,0,0,1|2,0,0]=4 4090 B14R1.502 CCOC(=O)CSc1ccc(nn1)C 62a_100000188475_100000744512 [0,1,0,0,0,1|2,0,0]=4 4091 B14R1.502 CCOC(=O)CSc1ccc(nn1)C 62a_100000744512_100000188475 [0,1,0,0,0,1|2,0,0]=4 4092 B14R1.502 CCOC(=O)CSc1ccc(nn1)Cl 62a_100000068654_100000188475 [0,1,0,0,0,1|2,0,0]=4 4093 B14R1.502 CCOC(=O)CSc1ccc(nn1)Cl 62a_100000188475_100000068654 [0,1,0,0,0,1|2,0,0]=4 4094 B14R1.502 CCOC(=O)CSc1ccc(nn1)N 62a_100000188475_100010219413 [0,1,0,0,0,1|2,0,0]=4 4095 B14R1.502 CCOC(=O)CSc1ccc(nn1)N 62a_100010219413_100000188475 [0,1,0,0,0,1|2,0,0]=4 4096 B14R1.502 CCOC(=O)CSc1cnc(cn1)Br 62a_100000188475_100010187541 [0,1,0,0,0,1|2,0,0]=4 4097 B14R1.502 CCOC(=O)CSc1cnc(cn1)Br 62a_100010187541_100000188475 [0,1,0,0,0,1|2,0,0]=4 4098 B14R1.502 CCOC(=O)CSc1cnc(cn1)C 62a_100000188475_100011999403 [0,1,0,0,0,1|2,0,0]=4 4099 B14R1.502 CCOC(=O)CSc1cnc(cn1)C 62a_100011999403_100000188475 [0,1,0,0,0,1|2,0,0]=4 4100 B14R1.502 CCOC(=O)CSc1cnc(cn1)Cl 62a_100000188475_100010214907 [0,1,0,0,0,1|2,0,0]=4 4101 B14R1.502 CCOC(=O)CSc1cnc(cn1)Cl 62a_100010214907_100000188475 [0,1,0,0,0,1|2,0,0]=4 4102 B14R1.502 CCOC(=O)CSc1cnc(cn1)F 62a_100000188475_100009856528 [0,1,0,0,0,1|2,0,0]=4 4103 B14R1.502 CCOC(=O)CSc1cnc(cn1)F 62a_100009856528_100000188475 [0,1,0,0,0,1|2,0,0]=4 4104 B14R1.502 CCOC(=O)CSc1cnc(cn1)N 62a_100000188475_100000744751 [0,1,0,0,0,1|2,0,0]=4 4105 B14R1.502 CCOC(=O)CSc1cnc(cn1)N 62a_100000744751_100000188475 [0,1,0,0,0,1|2,0,0]=4 4106 B14R1.502 CCOC(=O)CSc1cnc(cn1)O 62a_100000188475_100015839800 [0,1,0,0,0,1|2,0,0]=4 4107 B14R1.502 CCOC(=O)CSc1cnc(cn1)O 62a_100011934580_100000188475 [0,1,0,0,0,1|2,0,0]=4 4108 B14R1.502 CCOC(=O)CSc1ncc(cn1)Br 62a_100000188475_100000690281 [0,1,0,0,0,1|2,0,0]=4 4109 B14R1.502 CCOC(=O)CSc1ncc(cn1)Br 62a_100000690281_100000188475 [0,1,0,0,0,1|2,0,0]=4 4110 B14R1.502 CCOC(=O)CSc1ncc(cn1)C 62a_100000061069_100000188475 [0,1,0,0,0,1|2,0,0]=4 4111 B14R1.502 CCOC(=O)CSc1ncc(cn1)C 62a_100000188475_100000061069 [0,1,0,0,0,1|2,0,0]=4 4112 B14R1.502 CCOC(=O)CSc1ncc(cn1)Cl 62a_100000188475_100011356929 [0,1,0,0,0,1|2,0,0]=4 4113 B14R1.502 CCOC(=O)CSc1ncc(cn1)Cl 62a_100011356929_100000188475 [0,1,0,0,0,1|2,0,0]=4 4114 B14R1.502 CCOC(=O)CSc1ncc(cn1)F 62a_100000188475_100000685220 [0,1,0,0,0,1|2,0,0]=4 4115 B14R1.502 CCOC(=O)CSc1ncc(cn1)F 62a_100000685220_100000188475 [0,1,0,0,0,1|2,0,0]=4 4116 B14R1.502 CCOC(=O)CSc1ncc(cn1)N 62a_100000068403_100000188475 [0,1,0,0,0,1|2,0,0]=4 4117 B14R1.502 CCOC(=O)CSc1ncc(cn1)N 62a_100000188475_100000068403 [0,1,0,0,0,1|2,0,0]=4 4118 B14R1.502 CCOC(=O)CSc1ncc(cn1)O 62a_100000188475_100000092845 [0,1,0,0,0,1|2,0,0]=4 4119 B14R1.502 CCOC(=O)CSc1ncc(cn1)O 62a_100000730009_100000188475 [0,1,0,0,0,1|2,0,0]=4 4120 B14R1.598 CCCC(=O)CCc1ccccc1Br 1458a_100000211992_100012161201 [0,1,0,0,0,1|2,0,0]=4 4121 B14R1.598 CCCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210303 [0,1,0,0,0,1|2,0,0]=4 4122 B14R1.598 CCCC(=O)CCc1ccccc1C 1458a_100000211992_100011713688 [0,1,0,0,0,1|2,0,0]=4 4123 B14R1.598 CCCC(=O)CCc1ccccc1C 1458a_100000748742_100000210303 [0,1,0,0,0,1|2,0,0]=4 4124 B14R1.598 CCCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210303 [0,1,0,0,0,1|2,0,0]=4 4125 B14R1.598 CCCC(=O)CCc1ccccc1Cl 1458a_100000211992_100011713703 [0,1,0,0,0,1|2,0,0]=4 4126 B14R1.598 CCCC(=O)CCc1ccccc1F 1458a_100000189703_100000210303 [0,1,0,0,0,1|2,0,0]=4 4127 B14R1.598 CCCC(=O)CCc1ccccc1F 1458a_100000211992_100000720011 [0,1,0,0,0,1|2,0,0]=4 4128 B14R1.598 CCCC(=O)CCc1ccccc1I 1458a_100000037306_100000210303 [0,1,0,0,0,1|2,0,0]=4 4129 B14R1.598 CCCC(=O)CCc1ccccc1O 1458a_100000181328_100000210303 [0,1,0,0,0,1|2,0,0]=4 4130 B14R1.598 CCCC(=O)CCc1ccccc1O 1458a_100000211992_100000722297 [0,1,0,0,0,1|2,0,0]=4 4131 B14R1.598 CCCC(=O)COc1cccoc1=O 7a_100000077404_100000747444 [0,1,0,0,0,1|2,0,0]=4 4132 B14R1.598 CCNC(=O)CCc1ccccc1Br 11a_100015525214_100000740810 [0,1,0,0,0,1|2,0,0]=4 4133 B14R1.598 CCNC(=O)CCc1ccccc1Br 240690a_100015525214_100000740810 [0,1,0,0,0,1|2,0,0]=4 4134 B14R1.598 CCNC(=O)CCc1ccccc1Br 527a_100015525214_100000740810 [0,1,0,0,0,1|2,0,0]=4 4135 B14R1.598 CCNC(=O)CCc1ccccc1C 11a_100015525214_100000748742 [0,1,0,0,0,1|2,0,0]=4 4136 B14R1.598 CCNC(=O)CCc1ccccc1C 240690a_100015525214_100000748742 [0,1,0,0,0,1|2,0,0]=4 4137 B14R1.598 CCNC(=O)CCc1ccccc1C 527a_100015525214_100000748742 [0,1,0,0,0,1|2,0,0]=4 4138 B14R1.598 CCNC(=O)CCc1ccccc1Cl 11a_100015525214_100000184300 [0,1,0,0,0,1|2,0,0]=4 4139 B14R1.598 CCNC(=O)CCc1ccccc1Cl 240690a_100015525214_100000184300 [0,1,0,0,0,1|2,0,0]=4 4140 B14R1.598 CCNC(=O)CCc1ccccc1Cl 527a_100015525214_100000184300 [0,1,0,0,0,1|2,0,0]=4 4141 B14R1.598 CCNC(=O)CCc1ccccc1F 11a_100015525214_100000189703 [0,1,0,0,0,1|2,0,0]=4 4142 B14R1.598 CCNC(=O)CCc1ccccc1F 240690a_100015525214_100000189703 [0,1,0,0,0,1|2,0,0]=4 4143 B14R1.598 CCNC(=O)CCc1ccccc1F 527a_100015525214_100000189703 [0,1,0,0,0,1|2,0,0]=4 4144 B14R1.598 CCNC(=O)CCc1ccccc1I 11a_100015525214_100000037306 [0,1,0,0,0,1|2,0,0]=4 4145 B14R1.598 CCNC(=O)CCc1ccccc1I 240690a_100015525214_100000037306 [0,1,0,0,0,1|2,0,0]=4 4146 B14R1.598 CCNC(=O)CCc1ccccc1I 527a_100015525214_100000037306 [0,1,0,0,0,1|2,0,0]=4 4147 B14R1.598 CCNC(=O)CCc1ccccc1O 11a_100015525214_100000181328 [0,1,0,0,0,1|2,0,0]=4 4148 B14R1.598 CCNC(=O)CCc1ccccc1O 240690a_100015525214_100000181328 [0,1,0,0,0,1|2,0,0]=4 4149 B14R1.598 CCNC(=O)CCc1ccccc1O 527a_100015525214_100000181328 [0,1,0,0,0,1|2,0,0]=4 4150 B14R1.598 CCNC(=O)COc1cccoc1=O 34a_100000077404_100000183381 [0,1,0,0,0,1|2,0,0]=4 4151 B14R1.598 CCNC(=O)COc1cccoc1=O 7a_100000077404_100000183381 [0,1,0,0,0,1|2,0,0]=4 4152 B14R1.598 CCNC(=O)COc1coccc1=O 34a_100000060831_100000183381 [0,1,0,0,0,1|2,0,0]=4 4153 B14R1.598 CCOC(=O)CCc1ccccc1O 271570a_203496583355_100009815309 [0,1,0,0,0,1|1,0,0]=3 4154 B14R1.598 CCOC(=O)CNc1ccccc1Br 34a_100000210017_100000188475 [0,1,0,0,0,1|2,0,0]=4 4155 B14R1.598 CCOC(=O)CNc1ccccc1C 34a_100015192222_100000188475 [0,1,0,0,0,1|2,0,0]=4 4156 B14R1.598 CCOC(=O)CNc1ccccc1Cl 34a_100000185783_100000188475 [0,1,0,0,0,1|2,0,0]=4 4157 B14R1.598 CCOC(=O)CNc1ccccc1F 34a_100000210422_100000188475 [0,1,0,0,0,1|2,0,0]=4 4158 B14R1.598 CCOC(=O)CNc1ccccc1I 34a_100000210053_100000188475 [0,1,0,0,0,1|2,0,0]=4 4159 B14R1.598 CCOC(=O)CNc1ccccc1O 34a_100000185747_100000188475 [0,1,0,0,0,1|2,0,0]=4 4160 B14R1.598 CCOC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000188475 [0,1,0,0,0,1|2,0,0]=4 4161 B14R1.598 CCOC(=O)COc1ccccc1Br 34a_100000181306_100000188475 [0,1,0,0,0,1|2,0,0]=4 4162 B14R1.598 CCOC(=O)COc1ccccc1Br 7a_100000181306_100000188475 [0,1,0,0,0,1|2,0,0]=4 4163 B14R1.598 CCOC(=O)COc1ccccc1C 34a_100000210338_100000188475 [0,1,0,0,0,1|2,0,0]=4 4164 B14R1.598 CCOC(=O)COc1ccccc1C 7a_100000210338_100000188475 [0,1,0,0,0,1|2,0,0]=4 4165 B14R1.598 CCOC(=O)COc1ccccc1Cl 34a_100000210172_100000188475 [0,1,0,0,0,1|2,0,0]=4 4166 B14R1.598 CCOC(=O)COc1ccccc1Cl 7a_100000210172_100000188475 [0,1,0,0,0,1|2,0,0]=4 4167 B14R1.598 CCOC(=O)COc1ccccc1F 34a_100000210171_100000188475 [0,1,0,0,0,1|2,0,0]=4 4168 B14R1.598 CCOC(=O)COc1ccccc1F 7a_100000210171_100000188475 [0,1,0,0,0,1|2,0,0]=4 4169 B14R1.598 CCOC(=O)COc1ccccc1I 34a_100000739446_100000188475 [0,1,0,0,0,1|2,0,0]=4 4170 B14R1.598 CCOC(=O)COc1ccccc1I 7a_100000739446_100000188475 [0,1,0,0,0,1|2,0,0]=4 4171 B14R1.598 CCOC(=O)COc1ccccc1N 34a_100000185747_100000188475 [0,1,0,0,0,1|2,0,0]=4 4172 B14R1.598 CCOC(=O)COc1ccccc1N 7a_100000185747_100000188475 [0,1,0,0,0,1|2,0,0]=4 4173 B14R1.598 CCOC(=O)COc1ccccc1O 271570a_203496583355_100000174061 [0,1,0,0,0,1|2,0,0]=4 4174 B14R1.598 CCOC(=O)COc1cccnc1Br 34a_100000744436_100000188475 [0,1,0,0,0,1|2,0,0]=4 4175 B14R1.598 CCOC(=O)COc1cccnc1Br 7a_100000744436_100000188475 [0,1,0,0,0,1|2,0,0]=4 4176 B14R1.598 CCOC(=O)COc1cccnc1C 34a_100000745507_100000188475 [0,1,0,0,0,1|2,0,0]=4 4177 B14R1.598 CCOC(=O)COc1cccnc1C 7a_100000745507_100000188475 [0,1,0,0,0,1|2,0,0]=4 4178 B14R1.598 CCOC(=O)COc1cccnc1Cl 34a_100000757616_100000188475 [0,1,0,0,0,1|2,0,0]=4 4179 B14R1.598 CCOC(=O)COc1cccnc1Cl 7a_100000757616_100000188475 [0,1,0,0,0,1|2,0,0]=4 4180 B14R1.598 CCOC(=O)COc1cccnc1F 34a_100000061740_100000188475 [0,1,0,0,0,1|2,0,0]=4 4181 B14R1.598 CCOC(=O)COc1cccnc1F 7a_100000061740_100000188475 [0,1,0,0,0,1|2,0,0]=4 4182 B14R1.598 CCOC(=O)COc1cccnc1I 34a_100000034122_100000188475 [0,1,0,0,0,1|2,0,0]=4 4183 B14R1.598 CCOC(=O)COc1cccnc1I 7a_100000034122_100000188475 [0,1,0,0,0,1|2,0,0]=4 4184 B14R1.598 CCOC(=O)COc1cccnc1N 34a_100000211975_100000188475 [0,1,0,0,0,1|2,0,0]=4 4185 B14R1.598 CCOC(=O)COc1cccnc1N 7a_100000211975_100000188475 [0,1,0,0,0,1|2,0,0]=4 4186 B14R1.598 CCOC(=O)COc1cccoc1=O 34a_100000077404_100000188475 [0,1,0,0,0,1|1,0,0]=3 4187 B14R1.598 CCOC(=O)COc1cccoc1=O 7a_100000077404_100000188475 [0,1,0,0,0,1|1,0,0]=3 4188 B14R1.598 CCOC(=O)COc1ccncc1Br 34a_100011996408_100000188475 [0,1,0,0,0,1|2,0,0]=4 4189 B14R1.598 CCOC(=O)COc1ccncc1C 34a_100000694293_100000188475 [0,1,0,0,0,1|2,0,0]=4 4190 B14R1.598 CCOC(=O)COc1ccncc1Cl 34a_100011997054_100000188475 [0,1,0,0,0,1|2,0,0]=4 4191 B14R1.598 CCOC(=O)COc1ccncc1F 34a_200000081243_100000188475 [0,1,0,0,0,1|2,0,0]=4 4192 B14R1.598 CCOC(=O)COc1cnccc1C 34a_100011997053_100000188475 [0,1,0,0,0,1|2,0,0]=4 4193 B14R1.598 CCOC(=O)COc1cnccc1C 7a_100011997053_100000188475 [0,1,0,0,0,1|2,0,0]=4 4194 B14R1.598 CCOC(=O)COc1cnccc1Cl 34a_100011996695_100000188475 [0,1,0,0,0,1|2,0,0]=4 4195 B14R1.598 CCOC(=O)COc1cnccc1I 34a_100000050107_100000188475 [0,1,0,0,0,1|2,0,0]=4 4196 B14R1.598 CCOC(=O)COc1cnccc1N 34a_100000753702_100000188475 [0,1,0,0,0,1|2,0,0]=4 4197 B14R1.598 CCOC(=O)COc1coccc1=O 34a_100000060831_100000188475 [0,1,0,0,0,1|1,0,0]=3 4198 B14R1.598 CCOC(=O)COc1ncccc1Cl 34a_100011290957_100000188475 [0,1,0,0,0,1|2,0,0]=4 4199 B14R1.598 CCOC(=O)COc1ncccc1F 34a_100011219419_100000188475 [0,1,0,0,0,1|2,0,0]=4 4200 B14R1.598 CCOC(=O)COc1ncccc1N 34a_100000746358_100000188475 [0,1,0,0,0,1|2,0,0]=4 4201 B14R1.598 CCOC(=O)COc1nccnc1C 34a_100000766352_100000188475 [0,1,0,0,0,1|2,0,0]=4 4202 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=O 62a_100000188475_100009998708 [0,1,0,0,0,1|2,0,0]=4 4203 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000188475 [0,1,0,0,0,1|2,0,0]=4 4204 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=S 62a_100000188475_200012280681 [0,1,0,0,0,1|2,0,0]=4 4205 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000188475 [0,1,0,0,0,1|2,0,0]=4 4206 B14R1.598 CCOC(=O)CSc1cccc[n+]1C 62a_100000188475_100000212160 [0,1,0,0,0,1|2,0,0]=4 4207 B14R1.598 CCOC(=O)CSc1cccc[n+]1[O-] 62a_100000188475_200000042595 [0,1,0,0,0,1|2,0,0]=4 4208 B14R1.598 CCOC(=O)CSc1ccccc1Br 62a_100000188475_100000695589 [0,1,0,0,0,1|2,0,0]=4 4209 B14R1.598 CCOC(=O)CSc1ccccc1Br 62a_100000695589_100000188475 [0,1,0,0,0,1|2,0,0]=4 4210 B14R1.598 CCOC(=O)CSc1ccccc1C 62a_100000188475_100000210755 [0,1,0,0,0,1|2,0,0]=4 4211 B14R1.598 CCOC(=O)CSc1ccccc1C 62a_100000210755_100000188475 [0,1,0,0,0,1|2,0,0]=4 4212 B14R1.598 CCOC(=O)CSc1ccccc1Cl 62a_100000188475_100000764095 [0,1,0,0,0,1|2,0,0]=4 4213 B14R1.598 CCOC(=O)CSc1ccccc1Cl 62a_100000764095_100000188475 [0,1,0,0,0,1|2,0,0]=4 4214 B14R1.598 CCOC(=O)CSc1ccccc1F 62a_100000188475_100011215700 [0,1,0,0,0,1|2,0,0]=4 4215 B14R1.598 CCOC(=O)CSc1ccccc1F 62a_100011215700_100000188475 [0,1,0,0,0,1|2,0,0]=4 4216 B14R1.598 CCOC(=O)CSc1ccccc1N 62a_100000188475_100000210017 [0,1,0,0,0,1|2,0,0]=4 4217 B14R1.598 CCOC(=O)CSc1ccccc1N 62a_100000210017_100000188475 [0,1,0,0,0,1|2,0,0]=4 4218 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000188475_100000739446 [0,1,0,0,0,1|2,0,0]=4 4219 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000739446_100000188475 [0,1,0,0,0,1|2,0,0]=4 4220 B14R1.598 CCOC(=O)CSc1cccnc1Br 62a_100000188475_100010202626 [0,1,0,0,0,1|2,0,0]=4 4221 B14R1.598 CCOC(=O)CSc1cccnc1Br 62a_100010202626_100000188475 [0,1,0,0,0,1|2,0,0]=4 4222 B14R1.598 CCOC(=O)CSc1cccnc1C 62a_100000188475_100000751574 [0,1,0,0,0,1|2,0,0]=4 4223 B14R1.598 CCOC(=O)CSc1cccnc1C 62a_100000751574_100000188475 [0,1,0,0,0,1|2,0,0]=4 4224 B14R1.598 CCOC(=O)CSc1cccnc1Cl 62a_100000036424_100000188475 [0,1,0,0,0,1|2,0,0]=4 4225 B14R1.598 CCOC(=O)CSc1cccnc1Cl 62a_100000188475_100000036424 [0,1,0,0,0,1|2,0,0]=4 4226 B14R1.598 CCOC(=O)CSc1cccnc1F 62a_100000188475_100009816115 [0,1,0,0,0,1|2,0,0]=4 4227 B14R1.598 CCOC(=O)CSc1cccnc1F 62a_100009816115_100000188475 [0,1,0,0,0,1|2,0,0]=4 4228 B14R1.598 CCOC(=O)CSc1cccnc1N 62a_100000045569_100000188475 [0,1,0,0,0,1|2,0,0]=4 4229 B14R1.598 CCOC(=O)CSc1cccnc1N 62a_100000188475_100000045569 [0,1,0,0,0,1|2,0,0]=4 4230 B14R1.598 CCOC(=O)CSc1cccnc1O 62a_100000188475_100000760158 [0,1,0,0,0,1|2,0,0]=4 4231 B14R1.598 CCOC(=O)CSc1cccnc1O 62a_100000760158_100000188475 [0,1,0,0,0,1|2,0,0]=4 4232 B14R1.598 CCOC(=O)CSc1ccncc1Br 62a_100000188475_100000726257 [0,1,0,0,0,1|2,0,0]=4 4233 B14R1.598 CCOC(=O)CSc1ccncc1Br 62a_100000726257_100000188475 [0,1,0,0,0,1|2,0,0]=4 4234 B14R1.598 CCOC(=O)CSc1ccncc1C 62a_100000188475_100000765111 [0,1,0,0,0,1|2,0,0]=4 4235 B14R1.598 CCOC(=O)CSc1ccncc1C 62a_100000765111_100000188475 [0,1,0,0,0,1|2,0,0]=4 4236 B14R1.598 CCOC(=O)CSc1ccncc1Cl 62a_100000188475_100000708259 [0,1,0,0,0,1|2,0,0]=4 4237 B14R1.598 CCOC(=O)CSc1ccncc1Cl 62a_100000708259_100000188475 [0,1,0,0,0,1|2,0,0]=4 4238 B14R1.598 CCOC(=O)CSc1ccncc1F 62a_100000047030_100000188475 [0,1,0,0,0,1|2,0,0]=4 4239 B14R1.598 CCOC(=O)CSc1ccncc1F 62a_100000188475_100000047030 [0,1,0,0,0,1|2,0,0]=4 4240 B14R1.598 CCOC(=O)CSc1ccncc1N 62a_100000188475_100000756074 [0,1,0,0,0,1|2,0,0]=4 4241 B14R1.598 CCOC(=O)CSc1ccncc1N 62a_100000756074_100000188475 [0,1,0,0,0,1|2,0,0]=4 4242 B14R1.598 CCOC(=O)CSc1ccncc1O 62a_100000188475_100009817591 [0,1,0,0,0,1|2,0,0]=4 4243 B14R1.598 CCOC(=O)CSc1ccncc1O 62a_100009817591_100000188475 [0,1,0,0,0,1|2,0,0]=4 4244 B14R1.598 CCOC(=O)CSc1cnccc1Br 62a_100000188475_100010138639 [0,1,0,0,0,1|2,0,0]=4 4245 B14R1.598 CCOC(=O)CSc1cnccc1Br 62a_100010138639_100000188475 [0,1,0,0,0,1|2,0,0]=4 4246 B14R1.598 CCOC(=O)CSc1cnccc1C 62a_100000188475_100000761580 [0,1,0,0,0,1|2,0,0]=4 4247 B14R1.598 CCOC(=O)CSc1cnccc1C 62a_100000761580_100000188475 [0,1,0,0,0,1|2,0,0]=4 4248 B14R1.598 CCOC(=O)CSc1cnccc1Cl 62a_100000188475_100009995489 [0,1,0,0,0,1|2,0,0]=4 4249 B14R1.598 CCOC(=O)CSc1cnccc1Cl 62a_100009995489_100000188475 [0,1,0,0,0,1|2,0,0]=4 4250 B14R1.598 CCOC(=O)CSc1cnccc1F 62a_100000188475_100009820683 [0,1,0,0,0,1|2,0,0]=4 4251 B14R1.598 CCOC(=O)CSc1cnccc1F 62a_100009820683_100000188475 [0,1,0,0,0,1|2,0,0]=4 4252 B14R1.598 CCOC(=O)CSc1cnccc1N 62a_100000047001_100000188475 [0,1,0,0,0,1|2,0,0]=4 4253 B14R1.598 CCOC(=O)CSc1cnccc1N 62a_100000188475_100000047001 [0,1,0,0,0,1|2,0,0]=4 4254 B14R1.598 CCOC(=O)CSc1ncc[nH]c1=O 62a_100000188475_100000763361 [0,1,0,0,0,1|2,0,0]=4 4255 B14R1.598 CCOC(=O)CSc1ncccc1Br 62a_100000188475_100000696092 [0,1,0,0,0,1|2,0,0]=4 4256 B14R1.598 CCOC(=O)CSc1ncccc1Br 62a_100000696092_100000188475 [0,1,0,0,0,1|2,0,0]=4 4257 B14R1.598 CCOC(=O)CSc1ncccc1C 62a_100000188475_100000751373 [0,1,0,0,0,1|2,0,0]=4 4258 B14R1.598 CCOC(=O)CSc1ncccc1C 62a_100000751373_100000188475 [0,1,0,0,0,1|2,0,0]=4 4259 B14R1.598 CCOC(=O)CSc1ncccc1Cl 62a_100000188475_100011356963 [0,1,0,0,0,1|2,0,0]=4 4260 B14R1.598 CCOC(=O)CSc1ncccc1Cl 62a_100011356963_100000188475 [0,1,0,0,0,1|2,0,0]=4 4261 B14R1.598 CCOC(=O)CSc1ncccc1F 62a_100000188475_100000685392 [0,1,0,0,0,1|2,0,0]=4 4262 B14R1.598 CCOC(=O)CSc1ncccc1F 62a_100000685392_100000188475 [0,1,0,0,0,1|2,0,0]=4 4263 B14R1.598 CCOC(=O)CSc1ncccc1N 62a_100000188475_100000688686 [0,1,0,0,0,1|2,0,0]=4 4264 B14R1.598 CCOC(=O)CSc1ncccc1N 62a_100000688686_100000188475 [0,1,0,0,0,1|2,0,0]=4 4265 B14R1.598 CCOC(=O)CSc1ncccc1O 62a_100000034122_100000188475 [0,1,0,0,0,1|2,0,0]=4 4266 B14R1.598 CCOC(=O)CSc1ncccc1O 62a_100000188475_100000034122 [0,1,0,0,0,1|2,0,0]=4 4267 B14R1.598 CCOC(=O)CSc1nccnc1C 62a_100000188475_100011999405 [0,1,0,0,0,1|2,0,0]=4 4268 B14R1.598 CCOC(=O)CSc1nccnc1C 62a_100011999405_100000188475 [0,1,0,0,0,1|2,0,0]=4 4269 B14R1.598 CCOC(=O)CSc1nccnc1Cl 62a_100000188475_100010886584 [0,1,0,0,0,1|2,0,0]=4 4270 B14R1.598 CCOC(=O)CSc1nccnc1Cl 62a_100010886584_100000188475 [0,1,0,0,0,1|2,0,0]=4 4271 B14R1.598 CCOC(=O)CSc1nccnc1F 62a_100000188475_200010125657 [0,1,0,0,0,1|2,0,0]=4 4272 B14R1.598 CCOC(=O)CSc1nccnc1F 62a_200010125657_100000188475 [0,1,0,0,0,1|2,0,0]=4 4273 B14R1.598 CCOC(=O)CSc1nccnc1N 62a_100000188475_100000747729 [0,1,0,0,0,1|2,0,0]=4 4274 B14R1.598 CCOC(=O)CSc1nccnc1N 62a_100000747729_100000188475 [0,1,0,0,0,1|2,0,0]=4 4275 B14R1.598 CCOC(=O)CSc1ncncc1C 62a_100000188475_100011998708 [0,1,0,0,0,1|2,0,0]=4 4276 B14R1.598 CCOC(=O)CSc1ncncc1C 62a_100011998708_100000188475 [0,1,0,0,0,1|2,0,0]=4 4277 B14R1.598 CCOC(=O)CSc1ncncc1F 62a_100000069762_100000188475 [0,1,0,0,0,1|2,0,0]=4 4278 B14R1.598 CCOC(=O)CSc1ncncc1F 62a_100000188475_100000069762 [0,1,0,0,0,1|2,0,0]=4 4279 B14R1.598 CCOC(=O)CSc1ncncc1N 62a_100000188475_100000709731 [0,1,0,0,0,1|2,0,0]=4 4280 B14R1.598 CCOC(=O)CSc1ncncc1N 62a_100000709731_100000188475 [0,1,0,0,0,1|2,0,0]=4 4281 B14R1.598 CCOC(=O)CSc1nnccc1C 62a_100000188475_100000089043 [0,1,0,0,0,1|2,0,0]=4 4282 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000758301 [0,1,0,0,0,1|2,0,0]=4 4283 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100011192722_100000765856 [0,1,0,0,0,1|2,0,0]=4 4284 B14R1.756 CCC(C)C(=O)CCc1ccccn1 1458a_100011192722_100015183660 [0,1,0,0,0,1|2,0,0]=4 4285 B14R1.756 CCC(C)C(=O)CCc1ccccn1 1458a_100015195070_100000758301 [0,1,0,0,0,1|2,0,0]=4 4286 B14R1.756 CCC(C)C(=O)CCc1cccnc1 1458a_100000198484_100000758301 [0,1,0,0,0,1|2,0,0]=4 4287 B14R1.756 CCC(C)C(=O)CCc1cccnc1 1458a_100011192722_200011713674 [0,1,0,0,0,1|2,0,0]=4 4288 B14R1.756 CCC(C)C(=O)CCc1ccncc1 1458a_100011192722_100000723409 [0,1,0,0,0,1|2,0,0]=4 4289 B14R1.756 CCC(C)C(=O)CCc1ccncc1 1458a_100011225043_100000758301 [0,1,0,0,0,1|2,0,0]=4 4290 B14R1.756 CCC(O)C(=O)CCc1ccccc1 1458a_100011196387_100000765856 [0,1,0,0,0,1|2,0,0]=4 4291 B14R1.756 CCC(O)C(=O)CCc1ccccn1 1458a_100011196387_100015183660 [0,1,0,0,0,1|2,0,0]=4 4292 B14R1.756 CCC(O)C(=O)CCc1cccnc1 1458a_100011196387_200011713674 [0,1,0,0,0,1|2,0,0]=4 4293 B14R1.756 CCC(O)C(=O)CCc1ccncc1 1458a_100011196387_100000723409 [0,1,0,0,0,1|2,0,0]=4 4294 B14R1.756 CCN(C)C(=O)CCc1ccccc1 11a_100000225621_100000185753 [0,1,0,0,0,1|2,0,0]=4 4295 B14R1.756 CCN(C)C(=O)CCc1ccccc1 1626a_100000225621_100000185753 [0,1,0,0,0,1|2,0,0]=4 4296 B14R1.756 CCN(C)C(=O)CCc1ccccc1 240690a_100000225621_100000185753 [0,1,0,0,0,1|2,0,0]=4 4297 B14R1.756 CCN(C)C(=O)CCc1ccccc1 527a_100000225621_100000185753 [0,1,0,0,0,1|2,0,0]=4 4298 B14R1.756 CCN(C)C(=O)CCc1ccccn1 11a_100000225621_100015195070 [0,1,0,0,0,1|2,0,0]=4 4299 B14R1.756 CCN(C)C(=O)CCc1ccccn1 240690a_100000225621_100015195070 [0,1,0,0,0,1|2,0,0]=4 4300 B14R1.756 CCN(C)C(=O)CCc1ccccn1 527a_100000225621_100015195070 [0,1,0,0,0,1|2,0,0]=4 4301 B14R1.756 CCN(C)C(=O)CCc1cccnc1 11a_100000225621_100000198484 [0,1,0,0,0,1|2,0,0]=4 4302 B14R1.756 CCN(C)C(=O)CCc1cccnc1 1626a_100000225621_100000198484 [0,1,0,0,0,1|2,0,0]=4 4303 B14R1.756 CCN(C)C(=O)CCc1cccnc1 240690a_100000225621_100000198484 [0,1,0,0,0,1|2,0,0]=4 4304 B14R1.756 CCN(C)C(=O)CCc1cccnc1 527a_100000225621_100000198484 [0,1,0,0,0,1|2,0,0]=4 4305 B14R1.756 CCN(C)C(=O)CCc1ccncc1 11a_100000225621_100011225043 [0,1,0,0,0,1|2,0,0]=4 4306 B14R1.756 CCN(C)C(=O)CCc1ccncc1 240690a_100000225621_100011225043 [0,1,0,0,0,1|2,0,0]=4 4307 B14R1.756 CCN(C)C(=O)CCc1ccncc1 527a_100000225621_100011225043 [0,1,0,0,0,1|2,0,0]=4 4308 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000210624 [0,1,0,0,0,1|2,0,0]=4 4309 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000210554_100000765856 [0,1,0,0,0,1|2,0,0]=4 4310 B14R1.818 CC(C)CC(=O)CCc1ccccn1 1458a_100000210554_100015183660 [0,1,0,0,0,1|2,0,0]=4 4311 B14R1.818 CC(C)CC(=O)CCc1ccccn1 1458a_100015195070_100000210624 [0,1,0,0,0,1|2,0,0]=4 4312 B14R1.818 CC(C)CC(=O)CCc1cccnc1 1458a_100000198484_100000210624 [0,1,0,0,0,1|2,0,0]=4 4313 B14R1.818 CC(C)CC(=O)CCc1cccnc1 1458a_100000210554_200011713674 [0,1,0,0,0,1|2,0,0]=4 4314 B14R1.818 CC(C)CC(=O)CCc1ccncc1 1458a_100000210554_100000723409 [0,1,0,0,0,1|2,0,0]=4 4315 B14R1.818 CC(C)CC(=O)CCc1ccncc1 1458a_100011225043_100000210624 [0,1,0,0,0,1|2,0,0]=4 4316 B14R1.818 CC(C)NC(=O)CCc1ccccc1 11a_100138425928_100000185753 [0,1,0,0,0,1|2,0,0]=4 4317 B14R1.818 CC(C)NC(=O)CCc1ccccc1 1626a_100138425928_100000185753 [0,1,0,0,0,1|2,0,0]=4 4318 B14R1.818 CC(C)NC(=O)CCc1ccccc1 240690a_100138425928_100000185753 [0,1,0,0,0,1|2,0,0]=4 4319 B14R1.818 CC(C)NC(=O)CCc1ccccc1 527a_100138425928_100000185753 [0,1,0,0,0,1|2,0,0]=4 4320 B14R1.818 CC(C)NC(=O)CCc1ccccn1 11a_100138425928_100015195070 [0,1,0,0,0,1|2,0,0]=4 4321 B14R1.818 CC(C)NC(=O)CCc1ccccn1 240690a_100138425928_100015195070 [0,1,0,0,0,1|2,0,0]=4 4322 B14R1.818 CC(C)NC(=O)CCc1ccccn1 527a_100138425928_100015195070 [0,1,0,0,0,1|2,0,0]=4 4323 B14R1.818 CC(C)NC(=O)CCc1cccnc1 11a_100138425928_100000198484 [0,1,0,0,0,1|2,0,0]=4 4324 B14R1.818 CC(C)NC(=O)CCc1cccnc1 1626a_100138425928_100000198484 [0,1,0,0,0,1|2,0,0]=4 4325 B14R1.818 CC(C)NC(=O)CCc1cccnc1 240690a_100138425928_100000198484 [0,1,0,0,0,1|2,0,0]=4 4326 B14R1.818 CC(C)NC(=O)CCc1cccnc1 527a_100138425928_100000198484 [0,1,0,0,0,1|2,0,0]=4 4327 B14R1.818 CC(C)NC(=O)CCc1ccncc1 11a_100138425928_100011225043 [0,1,0,0,0,1|2,0,0]=4 4328 B14R1.818 CC(C)NC(=O)CCc1ccncc1 240690a_100138425928_100011225043 [0,1,0,0,0,1|2,0,0]=4 4329 B14R1.818 CC(C)NC(=O)CCc1ccncc1 527a_100138425928_100011225043 [0,1,0,0,0,1|2,0,0]=4 4330 B14R1.818 CC(C)OC(=O)CNc1ccccc1 34a_100000106764_100011215430 [0,1,0,0,0,1|2,0,0]=4 4331 B14R1.818 CC(C)OC(=O)COc1ccccc1 34a_100000210340_100011215430 [0,1,0,0,0,1|2,0,0]=4 4332 B14R1.818 CC(C)OC(=O)COc1ccccc1 7a_100000210340_100011215430 [0,1,0,0,0,1|2,0,0]=4 4333 B14R1.818 CC(C)OC(=O)COc1cccnc1 34a_100000210849_100011215430 [0,1,0,0,0,1|2,0,0]=4 4334 B14R1.818 CC(C)OC(=O)COc1cccnc1 7a_100000210849_100011215430 [0,1,0,0,0,1|2,0,0]=4 4335 B14R1.818 CC(C)OC(=O)COc1ccncc1 34a_100000212176_100011215430 [0,1,0,0,0,1|2,0,0]=4 4336 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100000719477_100011215430 [0,1,0,0,0,1|2,0,0]=4 4337 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100011215430_100000041952 [0,1,0,0,0,1|2,0,0]=4 4338 B14R1.818 CC(C)OC(=O)CSc1ccccn1 62a_100011215430_100011216584 [0,1,0,0,0,1|2,0,0]=4 4339 B14R1.818 CC(C)OC(=O)CSc1ccccn1 62a_100011216584_100011215430 [0,1,0,0,0,1|2,0,0]=4 4340 B14R1.818 CC(C)OC(=O)CSc1cccnc1 62a_100000210063_100011215430 [0,1,0,0,0,1|2,0,0]=4 4341 B14R1.818 CC(C)OC(=O)CSc1cccnc1 62a_100011215430_100000210063 [0,1,0,0,0,1|2,0,0]=4 4342 B14R1.818 CC(C)OC(=O)CSc1cccnn1 62a_100011215430_100016991348 [0,1,0,0,0,1|2,0,0]=4 4343 B14R1.818 CC(C)OC(=O)CSc1cccnn1 62a_100016991348_100011215430 [0,1,0,0,0,1|2,0,0]=4 4344 B14R1.818 CC(C)OC(=O)CSc1ccncc1 62a_100000728582_100011215430 [0,1,0,0,0,1|2,0,0]=4 4345 B14R1.818 CC(C)OC(=O)CSc1ccncc1 62a_100011215430_100000728582 [0,1,0,0,0,1|2,0,0]=4 4346 B14R1.818 CC(C)OC(=O)CSc1ccncn1 62a_100000703185_100011215430 [0,1,0,0,0,1|2,0,0]=4 4347 B14R1.818 CC(C)OC(=O)CSc1ccncn1 62a_100011215430_100000703185 [0,1,0,0,0,1|2,0,0]=4 4348 B14R1.818 CC(C)OC(=O)CSc1cnccn1 62a_100000211759_100011215430 [0,1,0,0,0,1|2,0,0]=4 4349 B14R1.818 CC(C)OC(=O)CSc1cnccn1 62a_100011215430_100000211759 [0,1,0,0,0,1|2,0,0]=4 4350 B14R1.818 CC(C)OC(=O)CSc1ncccn1 62a_100000211032_100011215430 [0,1,0,0,0,1|2,0,0]=4 4351 B14R1.818 CC(C)OC(=O)CSc1ncccn1 62a_100011215430_100000211032 [0,1,0,0,0,1|2,0,0]=4 4352 B14R1.818 CC(O)CC(=O)CCc1ccccc1 1458a_100000185753_100011218427 [0,1,0,0,0,1|2,0,0]=4 4353 B14R1.818 CC(O)CC(=O)CCc1ccccn1 1458a_100015195070_100011218427 [0,1,0,0,0,1|2,0,0]=4 4354 B14R1.818 CC(O)CC(=O)CCc1cccnc1 1458a_100000198484_100011218427 [0,1,0,0,0,1|2,0,0]=4 4355 B14R1.818 CC(O)CC(=O)CCc1ccncc1 1458a_100011225043_100011218427 [0,1,0,0,0,1|2,0,0]=4 4356 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccc1 1458a_100011933948_100000765856 [0,1,0,0,0,1|2,0,0]=4 4357 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccn1 1458a_100011933948_100015183660 [0,1,0,0,0,1|2,0,0]=4 4358 B14R1.818 C[C@@H](O)CC(=O)CCc1cccnc1 1458a_100011933948_200011713674 [0,1,0,0,0,1|2,0,0]=4 4359 B14R1.818 C[C@@H](O)CC(=O)CCc1ccncc1 1458a_100011933948_100000723409 [0,1,0,0,0,1|2,0,0]=4 4360 B14R1.100 C=COC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000036128 [0,1,0,0,0,1|0,0,2]=4 4361 B14R1.100 C=COC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000036128 [0,1,0,0,0,1|0,0,2]=4 4362 B14R1.100 CCCC(=O)CCC(=O)c1cccs1 1458a_100000211992_100011290775 [0,1,0,0,0,1|1,1,0]=4 4363 B14R1.100 CCCC(=O)CNC(=O)c1ccco1 1458a_200000183647_100000210303 [0,1,0,0,0,1|1,0,1]=4 4364 B14R1.100 CCCC(=O)CNC(C)c1cccs1 2230a_100000703493_100000747444 [0,1,0,0,0,1|1,1,0]=4 4365 B14R1.100 CCCC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000747444 [0,1,0,0,0,1|1,0,0]=3 4366 B14R1.100 CCCC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000747444 [0,1,0,0,0,1|1,0,0]=3 4367 B14R1.100 CCCC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000747444 [0,1,0,0,0,1|1,1,0]=4 4368 B14R1.100 CCCC(=O)NCC(O)c1ccco1 527a_100000738650_100000211992 [0,1,0,0,0,1|1,0,0]=3 4369 B14R1.100 CCNC(=O)CNC(=O)c1ccco1 11a_100015525214_200000183647 [0,1,0,0,0,1|1,0,1]=4 4370 B14R1.100 CCNC(=O)CNC(=O)c1ccco1 240690a_100015525214_200000183647 [0,1,0,0,0,1|1,0,1]=4 4371 B14R1.100 CCNC(=O)CNC(=O)c1ccco1 527a_100015525214_200000183647 [0,1,0,0,0,1|1,0,1]=4 4372 B14R1.100 CCNC(=O)CNC(C)c1cccs1 2230a_100000703493_100000183381 [0,1,0,0,0,1|1,1,0]=4 4373 B14R1.100 CCNC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000183381 [0,1,0,0,0,1|1,0,0]=3 4374 B14R1.100 CCNC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000183381 [0,1,0,0,0,1|1,0,0]=3 4375 B14R1.100 CCNC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000183381 [0,1,0,0,0,1|1,0,0]=3 4376 B14R1.100 CCNC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000183381 [0,1,0,0,0,1|1,1,0]=4 4377 B14R1.100 CCNC(=O)NCC(O)c1ccco1 2708a_100015525214_100000738650 [0,1,0,0,0,1|1,0,0]=3 4378 B14R1.100 CCNC(=O)NCC(O)c1ccco1 273464a_100015525214_100000738650 [0,1,0,0,0,1|1,0,0]=3 4379 B14R1.100 CCNC(=O)NCC(O)c1ccco1 512a_100015525214_100000738650 [0,1,0,0,0,1|1,0,0]=3 4380 B14R1.100 CCOC(=O)CNC(C)c1cccs1 2230a_100000703493_100000188475 [0,1,0,0,0,1|0,1,0]=3 4381 B14R1.100 CCOC(=O)CNC(C)c1ccoc1 2230a_100000690049_100000188475 [0,1,0,0,0,1|2,0,0]=4 4382 B14R1.100 CCOC(=O)CNC(C)c1ccsc1 2230a_100000748604_100000188475 [0,1,0,0,0,1|2,0,0]=4 4383 B14R1.100 CCOC(=O)CNC(C)c1nccs1 2230a_100000725601_100000188475 [0,1,0,0,0,1|1,1,0]=4 4384 B14R1.100 CCOC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000188475 [0,1,0,0,0,1|0,0,0]=2 4385 B14R1.100 CCOC(=O)COC(C)c1ccsc1 34a_100011350980_100000188475 [0,1,0,0,0,1|2,0,0]=4 4386 B14R1.100 CCOC(=O)COC(C)c1ccsc1 7a_100011350980_100000188475 [0,1,0,0,0,1|2,0,0]=4 4387 B14R1.100 CCOC(=O)COC(C)c1nccs1 7a_100000751044_100000188475 [0,1,0,0,0,1|1,1,0]=4 4388 B14R1.100 CCOC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000188475 [0,1,0,0,0,1|0,0,0]=2 4389 B14R1.100 CCOC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000188475 [0,1,0,0,0,1|0,0,0]=2 4390 B14R1.100 CCOC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000188475 [0,1,0,0,0,1|0,1,0]=3 4391 B14R1.100 CNNC(=O)NCC(O)c1ccco1 512a_100016993582_100000738650 [0,1,0,0,0,1|2,0,0]=4 4392 B14R1.100 COCC(=O)NCC(O)c1ccco1 527a_100000738650_100000210968 [0,1,0,0,0,1|2,0,0]=4 4393 B14R1.100 CSCC(=O)NCC(O)c1ccco1 527a_100000738650_100000184570 [0,1,0,0,0,1|2,0,0]=4 4394 B14R1.100 C[C@@H](NCC(=O)NCO)c1ccco1 2230a_100160469435_100000185155 [0,1,0,0,0,1|2,0,0]=4 4395 B14R1.100 C[C@H](OCC(=O)NCO)c1ccco1 34a_100000755270_100000185155 [0,1,0,0,0,1|2,0,0]=4 4396 B14R1.100 C[C@H](OCC(=O)NCO)c1ccco1 7a_100000755270_100000185155 [0,1,0,0,0,1|2,0,0]=4 4397 B14R1.177 C#CCCC(=O)NCCc1ccco1 11a_100000694680_100000692101 [0,1,0,0,0,1|1,0,1]=4 4398 B14R1.177 C#CCCC(=O)NCCc1ccco1 1626a_100000694680_100000692101 [0,1,0,0,0,1|1,0,1]=4 4399 B14R1.177 C#CCCC(=O)NCCc1ccco1 240690a_100000694680_100000692101 [0,1,0,0,0,1|1,0,1]=4 4400 B14R1.177 C#CCCC(=O)NCCc1ccco1 527a_100000694680_100000692101 [0,1,0,0,0,1|1,0,1]=4 4401 B14R1.177 C#CCNC(=O)CNCc1ccco1 207a_100000747989_100000186105 [0,1,0,0,0,1|1,0,1]=4 4402 B14R1.177 C#CCNC(=O)NCCc1ccco1 2708a_100000212058_100000694680 [0,1,0,0,0,1|1,0,1]=4 4403 B14R1.177 C#CCNC(=O)NCCc1ccco1 2708a_100000694680_100000212058 [0,1,0,0,0,1|1,0,1]=4 4404 B14R1.177 C#CCNC(=O)NCCc1ccco1 273464a_100000694680_100000212058 [0,1,0,0,0,1|1,0,1]=4 4405 B14R1.177 C#CCNC(=O)NCCc1ccco1 512a_100000212058_100000694680 [0,1,0,0,0,1|1,0,1]=4 4406 B14R1.177 C#CCNC(=O)NCCc1ccco1 512a_100000694680_100000212058 [0,1,0,0,0,1|1,0,1]=4 4407 B14R1.177 C=C(CNCc1ccco1)OCOC 34a_100000185738_100000042856 [0,1,0,0,0,1|1,0,0]=3 4408 B14R1.177 C=C(COCc1ccco1)OCOC 34a_100000210059_100000042856 [0,1,0,0,0,1|1,0,0]=3 4409 B14R1.177 C=C(COCc1cccs1)OCOC 34a_100000211240_100000042856 [0,1,0,0,0,1|1,1,0]=4 4410 B14R1.177 C=C(COCc1ccno1)OCOC 34a_100000740478_100000042856 [0,1,0,0,0,1|2,0,0]=4 4411 B14R1.177 C=C(COCc1ncco1)OCOC 34a_100000062594_100000042856 [0,1,0,0,0,1|2,0,0]=4 4412 B14R1.177 C=C(CSCc1ncco1)OCOC 62a_100000042856_103436540062 [0,1,0,0,0,1|2,0,0]=4 4413 B14R1.177 C=C(CSCc1ncco1)OCOC 62a_103436540062_100000042856 [0,1,0,0,0,1|2,0,0]=4 4414 B14R1.177 C=CCCC(=O)NCCc1ccco1 11a_100000694680_100000749702 [0,1,0,0,0,1|1,0,1]=4 4415 B14R1.177 C=CCCC(=O)NCCc1ccco1 1626a_100000694680_100000749702 [0,1,0,0,0,1|1,0,1]=4 4416 B14R1.177 C=CCCC(=O)NCCc1ccco1 240690a_100000694680_100000749702 [0,1,0,0,0,1|1,0,1]=4 4417 B14R1.177 C=CCCC(=O)NCCc1ccco1 527a_100000694680_100000749702 [0,1,0,0,0,1|1,0,1]=4 4418 B14R1.177 C=CCNC(=O)CCSc1ccco1 62a_100009814098_100011222895 [0,1,0,0,0,1|1,0,1]=4 4419 B14R1.177 C=CCNC(=O)CCSc1ccco1 62a_100011222895_100009814098 [0,1,0,0,0,1|1,0,1]=4 4420 B14R1.177 C=CCNC(=O)CNCc1ccco1 2230a_100000185738_100000183597 [0,1,0,0,0,1|1,0,1]=4 4421 B14R1.177 C=CCNC(=O)NCCc1ccco1 2708a_100000694680_100020586998 [0,1,0,0,0,1|1,0,1]=4 4422 B14R1.177 C=CCNC(=O)NCCc1ccco1 273464a_100000694680_100020586998 [0,1,0,0,0,1|1,0,1]=4 4423 B14R1.177 C=CCNC(=O)NCCc1ccco1 512a_100000694680_100020586998 [0,1,0,0,0,1|1,0,1]=4 4424 B14R1.177 C=CCNC(=O)NCCc1ccco1 512a_100020586998_100000694680 [0,1,0,0,0,1|1,0,1]=4 4425 B14R1.177 C=CCOC(=O)CNCc1ccco1 2230a_100000185738_100000033060 [0,1,0,0,0,1|0,0,1]=3 4426 B14R1.177 C=CCOC(=O)CNCc1ccco1 34a_100000185738_100000033060 [0,1,0,0,0,1|0,0,1]=3 4427 B14R1.177 C=CCOC(=O)CNCc1cccs1 2230a_100000211653_100000033060 [0,1,0,0,0,1|0,1,1]=4 4428 B14R1.177 C=CCOC(=O)CNCc1ncco1 2230a_100016994969_100000033060 [0,1,0,0,0,1|1,0,1]=4 4429 B14R1.177 C=CCOC(=O)COCc1ccco1 34a_100000210059_100000033060 [0,1,0,0,0,1|0,0,1]=3 4430 B14R1.177 C=CCOC(=O)COCc1cccs1 34a_100000211240_100000033060 [0,1,0,0,0,1|0,1,1]=4 4431 B14R1.177 C=CCOC(=O)COCc1ccno1 34a_100000740478_100000033060 [0,1,0,0,0,1|1,0,1]=4 4432 B14R1.177 C=CCOC(=O)COCc1ncco1 34a_100000062594_100000033060 [0,1,0,0,0,1|1,0,1]=4 4433 B14R1.177 C=CCOC(=O)CSCc1ncco1 62a_100000033060_103436540062 [0,1,0,0,0,1|1,0,1]=4 4434 B14R1.177 C=CCOC(=O)CSCc1ncco1 62a_103436540062_100000033060 [0,1,0,0,0,1|1,0,1]=4 4435 B14R1.177 CC=CCC(=O)NCCc1ccco1 11a_100000694680_100121576822 [0,1,0,0,0,1|1,0,1]=4 4436 B14R1.177 CC=CCC(=O)NCCc1ccco1 1626a_100000694680_100121576822 [0,1,0,0,0,1|1,0,1]=4 4437 B14R1.177 CC=CCC(=O)NCCc1ccco1 240690a_100000694680_100121576822 [0,1,0,0,0,1|1,0,1]=4 4438 B14R1.177 CC=CCC(=O)NCCc1ccco1 527a_100000694680_100121576822 [0,1,0,0,0,1|1,0,1]=4 4439 B14R1.177 CCC#CC(=O)CCCc1cccs1 1458a_100011827653_100010992444 [0,1,0,0,0,1|1,1,0]=4 4440 B14R1.177 CCC=CC(=O)CCCc1cccs1 1458a_100000212282_100010992444 [0,1,0,0,0,1|1,1,0]=4 4441 B14R1.177 CCC=CC(=O)NCCc1ccco1 11a_100000694680_100000212282 [0,1,0,0,0,1|1,0,0]=3 4442 B14R1.177 CCC=CC(=O)NCCc1ccco1 1626a_100000694680_100000212282 [0,1,0,0,0,1|1,0,0]=3 4443 B14R1.177 CCC=CC(=O)NCCc1ccco1 240690a_100000694680_100000212282 [0,1,0,0,0,1|1,0,0]=3 4444 B14R1.177 CCC=CC(=O)NCCc1cccs1 11a_100000203755_100000212282 [0,1,0,0,0,1|1,1,0]=4 4445 B14R1.177 CCC=CC(=O)NCCc1cccs1 1626a_100000203755_100000212282 [0,1,0,0,0,1|1,1,0]=4 4446 B14R1.177 CCC=CC(=O)NCCc1cccs1 240690a_100000203755_100000212282 [0,1,0,0,0,1|1,1,0]=4 4447 B14R1.177 CCCCC(=O)CCCc1cccs1 1458a_100000184482_100000210211 [0,1,0,0,0,1|1,1,0]=4 4448 B14R1.177 CCCCC(=O)CCCc1cccs1 1458a_100000210183_100010992444 [0,1,0,0,0,1|1,1,0]=4 4449 B14R1.177 CCCCC(=O)NCCc1ccco1 11a_100000694680_100000210183 [0,1,0,0,0,1|1,0,0]=3 4450 B14R1.177 CCCCC(=O)NCCc1ccco1 1626a_100000694680_100000210183 [0,1,0,0,0,1|1,0,0]=3 4451 B14R1.177 CCCCC(=O)NCCc1ccco1 240690a_100000694680_100000210183 [0,1,0,0,0,1|1,0,0]=3 4452 B14R1.177 CCCCC(=O)NCCc1ccco1 527a_100000694680_100000210183 [0,1,0,0,0,1|1,0,0]=3 4453 B14R1.177 CCCCC(=O)NCCc1cccs1 11a_100000203755_100000210183 [0,1,0,0,0,1|1,1,0]=4 4454 B14R1.177 CCCCC(=O)NCCc1cccs1 1626a_100000203755_100000210183 [0,1,0,0,0,1|1,1,0]=4 4455 B14R1.177 CCCCC(=O)NCCc1cccs1 240690a_100000203755_100000210183 [0,1,0,0,0,1|1,1,0]=4 4456 B14R1.177 CCCCC(=O)NCCc1cccs1 527a_100000203755_100000210183 [0,1,0,0,0,1|1,1,0]=4 4457 B14R1.177 CCCNC(=O)CCCc1cccs1 11a_100020643023_100000184482 [0,1,0,0,0,1|1,1,0]=4 4458 B14R1.177 CCCNC(=O)CCCc1cccs1 1626a_100020643023_100000184482 [0,1,0,0,0,1|1,1,0]=4 4459 B14R1.177 CCCNC(=O)CCCc1cccs1 240690a_100020643023_100000184482 [0,1,0,0,0,1|1,1,0]=4 4460 B14R1.177 CCCNC(=O)CCCc1cccs1 527a_100020643023_100000184482 [0,1,0,0,0,1|1,1,0]=4 4461 B14R1.177 CCCNC(=O)CNCc1ccco1 2230a_100000185738_100000183358 [0,1,0,0,0,1|1,0,0]=3 4462 B14R1.177 CCCNC(=O)CNCc1ccco1 270004a_100000174927_100000186105 [0,1,0,0,0,1|1,0,0]=3 4463 B14R1.177 CCCNC(=O)CNCc1ccco1 34a_100000185738_100000183358 [0,1,0,0,0,1|1,0,0]=3 4464 B14R1.177 CCCNC(=O)CNCc1cccs1 2230a_100000211653_100000183358 [0,1,0,0,0,1|1,1,0]=4 4465 B14R1.177 CCCNC(=O)CNCc1cccs1 270004a_100000174927_100000209959 [0,1,0,0,0,1|1,1,0]=4 4466 B14R1.177 CCCNC(=O)CNCc1cnco1 270004a_100000174927_100000064291 [0,1,0,0,0,1|2,0,0]=4 4467 B14R1.177 CCCNC(=O)CNCc1ncco1 2230a_100000174927_103436540062 [0,1,0,0,0,1|2,0,0]=4 4468 B14R1.177 CCCNC(=O)CNCc1ncco1 2230a_100016994969_100000183358 [0,1,0,0,0,1|2,0,0]=4 4469 B14R1.177 CCCNC(=O)CNCc1ncco1 270004a_100000174927_100000064290 [0,1,0,0,0,1|2,0,0]=4 4470 B14R1.177 CCCNC(=O)COCc1ccco1 34a_100000210059_100000183358 [0,1,0,0,0,1|1,0,0]=3 4471 B14R1.177 CCCNC(=O)COCc1cccs1 34a_100000211240_100000183358 [0,1,0,0,0,1|1,1,0]=4 4472 B14R1.177 CCCNC(=O)COCc1ccno1 34a_100000740478_100000183358 [0,1,0,0,0,1|2,0,0]=4 4473 B14R1.177 CCCNC(=O)COCc1ncco1 34a_100000062594_100000183358 [0,1,0,0,0,1|2,0,0]=4 4474 B14R1.177 CCCNC(=O)CSCc1ncco1 62a_100000183358_103436540062 [0,1,0,0,0,1|2,0,0]=4 4475 B14R1.177 CCCNC(=O)CSCc1ncco1 62a_103436540062_100000183358 [0,1,0,0,0,1|2,0,0]=4 4476 B14R1.177 CCCNC(=O)NCCc1ccco1 2708a_100000694680_100020643023 [0,1,0,0,0,1|1,0,0]=3 4477 B14R1.177 CCCNC(=O)NCCc1ccco1 2708a_100020643023_100000694680 [0,1,0,0,0,1|1,0,0]=3 4478 B14R1.177 CCCNC(=O)NCCc1ccco1 273464a_100000694680_100020643023 [0,1,0,0,0,1|1,0,0]=3 4479 B14R1.177 CCCNC(=O)NCCc1ccco1 512a_100000694680_100020643023 [0,1,0,0,0,1|1,0,0]=3 4480 B14R1.177 CCCNC(=O)NCCc1ccco1 512a_100020643023_100000694680 [0,1,0,0,0,1|1,0,0]=3 4481 B14R1.177 CCCNC(=O)NCCc1cccs1 2708a_100000203755_100020643023 [0,1,0,0,0,1|1,1,0]=4 4482 B14R1.177 CCCNC(=O)NCCc1cccs1 2708a_100020643023_100000203755 [0,1,0,0,0,1|1,1,0]=4 4483 B14R1.177 CCCNC(=O)NCCc1cccs1 273464a_100000203755_100020643023 [0,1,0,0,0,1|1,1,0]=4 4484 B14R1.177 CCCNC(=O)NCCc1cccs1 273464a_100020643023_100000203755 [0,1,0,0,0,1|1,1,0]=4 4485 B14R1.177 CCCNC(=O)NCCc1cccs1 512a_100000203755_100020643023 [0,1,0,0,0,1|1,1,0]=4 4486 B14R1.177 CCCNC(=O)NCCc1cccs1 512a_100020643023_100000203755 [0,1,0,0,0,1|1,1,0]=4 4487 B14R1.177 CCCOC(=O)CNCc1ccco1 2230a_100000185738_200011215008 [0,1,0,0,0,1|0,0,0]=2 4488 B14R1.177 CCCOC(=O)CNCc1ccco1 34a_100000185738_200011215008 [0,1,0,0,0,1|0,0,0]=2 4489 B14R1.177 CCCOC(=O)CNCc1cccs1 2230a_100000211653_200011215008 [0,1,0,0,0,1|0,1,0]=3 4490 B14R1.177 CCCOC(=O)CNCc1ccoc1 2230a_100015206860_200011215008 [0,1,0,0,0,1|2,0,0]=4 4491 B14R1.177 CCCOC(=O)CNCc1ccoc1 34a_100015206860_200011215008 [0,1,0,0,0,1|2,0,0]=4 4492 B14R1.177 CCCOC(=O)CNCc1ccsc1 2230a_100000186416_200011215008 [0,1,0,0,0,1|2,0,0]=4 4493 B14R1.177 CCCOC(=O)CNCc1ccsc1 34a_100000186416_200011215008 [0,1,0,0,0,1|2,0,0]=4 4494 B14R1.177 CCCOC(=O)CNCc1cncs1 2230a_100016987365_200011215008 [0,1,0,0,0,1|1,1,0]=4 4495 B14R1.177 CCCOC(=O)CNCc1cscn1 2230a_100015185402_200011215008 [0,1,0,0,0,1|2,0,0]=4 4496 B14R1.177 CCCOC(=O)CNCc1ncco1 2230a_100016994969_200011215008 [0,1,0,0,0,1|1,0,0]=3 4497 B14R1.177 CCCOC(=O)CNCc1nccs1 2230a_100000740555_200011215008 [0,1,0,0,0,1|1,1,0]=4 4498 B14R1.177 CCCOC(=O)COCc1ccco1 34a_100000210059_200011215008 [0,1,0,0,0,1|0,0,0]=2 4499 B14R1.177 CCCOC(=O)COCc1cccs1 34a_100000211240_200011215008 [0,1,0,0,0,1|0,1,0]=3 4500 B14R1.177 CCCOC(=O)COCc1ccno1 34a_100000740478_200011215008 [0,1,0,0,0,1|1,0,0]=3 4501 B14R1.177 CCCOC(=O)COCc1ccoc1 34a_100011215357_200011215008 [0,1,0,0,0,1|2,0,0]=4 4502 B14R1.177 CCCOC(=O)COCc1ccsc1 34a_100011215551_200011215008 [0,1,0,0,0,1|2,0,0]=4 4503 B14R1.177 CCCOC(=O)COCc1ncco1 34a_100000062594_200011215008 [0,1,0,0,0,1|1,0,0]=3 4504 B14R1.177 CCCOC(=O)COCn1cccn1 34a_100000731028_200011215008 [0,1,0,0,0,1|2,0,0]=4 4505 B14R1.177 CCCOC(=O)CSCc1c[nH]cn1 62a_100000707719_200011215008 [0,1,0,0,0,1|2,0,0]=4 4506 B14R1.177 CCCOC(=O)CSCc1c[nH]cn1 62a_200011215008_100000707719 [0,1,0,0,0,1|2,0,0]=4 4507 B14R1.177 CCCOC(=O)CSCc1ccn[nH]1 62a_100000728653_200011215008 [0,1,0,0,0,1|2,0,0]=4 4508 B14R1.177 CCCOC(=O)CSCc1ccn[nH]1 62a_200011215008_100000728653 [0,1,0,0,0,1|2,0,0]=4 4509 B14R1.177 CCCOC(=O)CSCc1ccon1 62a_100000234950_200011215008 [0,1,0,0,0,1|2,0,0]=4 4510 B14R1.177 CCCOC(=O)CSCc1ccon1 62a_200011215008_100000234950 [0,1,0,0,0,1|2,0,0]=4 4511 B14R1.177 CCCOC(=O)CSCc1ccsc1 62a_100011261437_200011215008 [0,1,0,0,0,1|2,0,0]=4 4512 B14R1.177 CCCOC(=O)CSCc1ccsc1 62a_200011215008_100011233845 [0,1,0,0,0,1|2,0,0]=4 4513 B14R1.177 CCCOC(=O)CSCc1cncs1 62a_100015185245_200011215008 [0,1,0,0,0,1|1,1,0]=4 4514 B14R1.177 CCCOC(=O)CSCc1cncs1 62a_200011215008_100015185245 [0,1,0,0,0,1|1,1,0]=4 4515 B14R1.177 CCCOC(=O)CSCc1cscn1 62a_100000205941_200011215008 [0,1,0,0,0,1|2,0,0]=4 4516 B14R1.177 CCCOC(=O)CSCc1cscn1 62a_200011215008_100000205941 [0,1,0,0,0,1|2,0,0]=4 4517 B14R1.177 CCCOC(=O)CSCc1ncc[nH]1 62a_100016991755_200011215008 [0,1,0,0,0,1|2,0,0]=4 4518 B14R1.177 CCCOC(=O)CSCc1ncc[nH]1 62a_200011215008_100016991755 [0,1,0,0,0,1|2,0,0]=4 4519 B14R1.177 CCCOC(=O)CSCc1ncco1 62a_103436540062_200011215008 [0,1,0,0,0,1|1,0,0]=3 4520 B14R1.177 CCCOC(=O)CSCc1ncco1 62a_200011215008_103436540062 [0,1,0,0,0,1|1,0,0]=3 4521 B14R1.177 CCCOC(=O)CSCc1nccs1 62a_100015184050_200011215008 [0,1,0,0,0,1|1,1,0]=4 4522 B14R1.177 CCCOC(=O)CSCc1nccs1 62a_200011215008_100015184050 [0,1,0,0,0,1|1,1,0]=4 4523 B14R1.177 CCCOC(=O)OCSc1ccco1 62a_100009814098_200000139673 [0,1,0,0,0,1|1,0,0]=3 4524 B14R1.177 CCCOC(=O)OCSc1cccs1 62a_100011215356_200000139673 [0,1,0,0,0,1|1,1,0]=4 4525 B14R1.177 CCCOC(=O)OCSc1cnco1 62a_100020591547_200000139673 [0,1,0,0,0,1|2,0,0]=4 4526 B14R1.177 CCCOC(=O)OCSc1ncco1 62a_100011787736_200000139673 [0,1,0,0,0,1|2,0,0]=4 4527 B14R1.177 CCCOC(C)CNCc1ccco1 207a_100015185124_100000186105 [0,1,0,0,0,1|1,0,1]=4 4528 B14R1.177 CCCOC(C)CNCc1ccco1 270004a_100015185124_100000186105 [0,1,0,0,0,1|1,0,1]=4 4529 B14R1.177 CCNCC(=O)NCCc1cccs1 2230a_100015525214_100000198571 [0,1,0,0,0,1|1,1,0]=4 4530 B14R1.177 CCNNC(=O)CCCc1cccs1 22a_100000756455_100000184482 [0,1,0,0,0,1|1,1,0]=4 4531 B14R1.177 CCNNC(=O)NCCc1ccco1 273464a_100000694680_100000756455 [0,1,0,0,0,1|1,0,0]=3 4532 B14R1.177 CCNNC(=O)NCCc1ccco1 512a_100000694680_100000756455 [0,1,0,0,0,1|1,0,0]=3 4533 B14R1.177 CCNNC(=O)NCCc1ccco1 512a_100000756455_100000694680 [0,1,0,0,0,1|1,0,0]=3 4534 B14R1.177 CCNNC(=O)NCCc1cccs1 273464a_100000203755_100000756455 [0,1,0,0,0,1|1,1,0]=4 4535 B14R1.177 CCNNC(=O)NCCc1cccs1 512a_100000203755_100000756455 [0,1,0,0,0,1|1,1,0]=4 4536 B14R1.177 CCNNC(=O)NCCc1cccs1 512a_100000756455_100000203755 [0,1,0,0,0,1|1,1,0]=4 4537 B14R1.177 CCOCC(=O)CCCc1cccs1 1458a_100000211967_100010992444 [0,1,0,0,0,1|0,1,0]=3 4538 B14R1.177 CCOCC(=O)CCCn1cccc1 1458a_100000211967_200009814367 [0,1,0,0,0,1|2,0,0]=4 4539 B14R1.177 CCOCC(=O)CCCn1cccn1 1458a_100000211967_100000739983 [0,1,0,0,0,1|2,0,0]=4 4540 B14R1.177 CCOCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000211967 [0,1,0,0,0,1|2,0,0]=4 4541 B14R1.177 CCOCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000211967 [0,1,0,0,0,1|2,0,0]=4 4542 B14R1.177 CCOCC(=O)NCCc1ccco1 11a_100000694680_100000211967 [0,1,0,0,0,1|0,0,0]=2 4543 B14R1.177 CCOCC(=O)NCCc1ccco1 1626a_100000694680_100000211967 [0,1,0,0,0,1|0,0,0]=2 4544 B14R1.177 CCOCC(=O)NCCc1ccco1 240690a_100000694680_100000211967 [0,1,0,0,0,1|0,0,0]=2 4545 B14R1.177 CCOCC(=O)NCCc1ccco1 527a_100000694680_100000211967 [0,1,0,0,0,1|0,0,0]=2 4546 B14R1.177 CCOCC(=O)NCCc1cccs1 11a_100000203755_100000211967 [0,1,0,0,0,1|0,1,0]=3 4547 B14R1.177 CCOCC(=O)NCCc1cccs1 1626a_100000203755_100000211967 [0,1,0,0,0,1|0,1,0]=3 4548 B14R1.177 CCOCC(=O)NCCc1cccs1 240690a_100000203755_100000211967 [0,1,0,0,0,1|0,1,0]=3 4549 B14R1.177 CCOCC(=O)NCCc1cccs1 34a_100121572206_100000198571 [0,1,0,0,0,1|0,1,0]=3 4550 B14R1.177 CCOCC(=O)NCCc1cccs1 527a_100000203755_100000211967 [0,1,0,0,0,1|0,1,0]=3 4551 B14R1.177 CCOCC(=O)NCCc1ccsc1 11a_100000692642_100000211967 [0,1,0,0,0,1|2,0,0]=4 4552 B14R1.177 CCOCC(=O)NCCc1ccsc1 1626a_100000692642_100000211967 [0,1,0,0,0,1|2,0,0]=4 4553 B14R1.177 CCOCC(=O)NCCc1ccsc1 240690a_100000692642_100000211967 [0,1,0,0,0,1|2,0,0]=4 4554 B14R1.177 CCOCC(=O)NCCc1ccsc1 34a_100121572206_100000742133 [0,1,0,0,0,1|2,0,0]=4 4555 B14R1.177 CCOCC(=O)NCCc1ccsc1 527a_100000692642_100000211967 [0,1,0,0,0,1|2,0,0]=4 4556 B14R1.177 CCOCC(=O)NCCc1cncs1 11a_100016991637_100000211967 [0,1,0,0,0,1|1,1,0]=4 4557 B14R1.177 CCOCC(=O)NCCc1cncs1 1626a_100016991637_100000211967 [0,1,0,0,0,1|1,1,0]=4 4558 B14R1.177 CCOCC(=O)NCCc1cncs1 240690a_100016991637_100000211967 [0,1,0,0,0,1|1,1,0]=4 4559 B14R1.177 CCOCC(=O)NCCc1cncs1 527a_100016991637_100000211967 [0,1,0,0,0,1|1,1,0]=4 4560 B14R1.177 CCOCC(=O)NCCc1ncc[nH]1 11a_100000754300_100000211967 [0,1,0,0,0,1|2,0,0]=4 4561 B14R1.177 CCOCC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000211967 [0,1,0,0,0,1|2,0,0]=4 4562 B14R1.177 CCOCC(=O)NCCc1ncc[nH]1 527a_100000754300_100000211967 [0,1,0,0,0,1|2,0,0]=4 4563 B14R1.177 CCOCC(=O)NCCc1nccs1 11a_100015186391_100000211967 [0,1,0,0,0,1|1,1,0]=4 4564 B14R1.177 CCOCC(=O)NCCc1nccs1 1626a_100015186391_100000211967 [0,1,0,0,0,1|1,1,0]=4 4565 B14R1.177 CCOCC(=O)NCCc1nccs1 240690a_100015186391_100000211967 [0,1,0,0,0,1|1,1,0]=4 4566 B14R1.177 CCOCC(=O)NCCc1nccs1 527a_100015186391_100000211967 [0,1,0,0,0,1|1,1,0]=4 4567 B14R1.177 CCOCC(=O)NCCn1cccc1 11a_100011368172_100000211967 [0,1,0,0,0,1|2,0,0]=4 4568 B14R1.177 CCOCC(=O)NCCn1cccc1 240690a_100011368172_100000211967 [0,1,0,0,0,1|2,0,0]=4 4569 B14R1.177 CCOCC(=O)NCCn1cccc1 527a_100011368172_100000211967 [0,1,0,0,0,1|2,0,0]=4 4570 B14R1.177 CCOCC(=O)NCCn1cccn1 11a_100011200920_100000211967 [0,1,0,0,0,1|2,0,0]=4 4571 B14R1.177 CCOCC(=O)NCCn1cccn1 240690a_100011200920_100000211967 [0,1,0,0,0,1|2,0,0]=4 4572 B14R1.177 CCOCC(=O)NCCn1cccn1 527a_100011200920_100000211967 [0,1,0,0,0,1|2,0,0]=4 4573 B14R1.177 CCOCC(=O)NN=Cc1ccco1 4a_100000216846_100000186105 [0,1,0,0,0,1|1,0,1]=4 4574 B14R1.177 CCOCC(O)CNCc1ccco1 207a_102515437182_100000186105 [0,1,0,0,0,1|0,0,2]=4 4575 B14R1.177 CCOCC(O)CNCc1ccco1 270004a_102515437182_100000186105 [0,1,0,0,0,1|0,0,2]=4 4576 B14R1.177 CCSCC(=O)CCCc1cccs1 1458a_100000230394_100010992444 [0,1,0,0,0,1|0,2,0]=4 4577 B14R1.177 CCSCC(=O)NCCc1ccco1 11a_100000694680_100000230394 [0,1,0,0,0,1|0,1,0]=3 4578 B14R1.177 CCSCC(=O)NCCc1ccco1 1626a_100000694680_100000230394 [0,1,0,0,0,1|0,1,0]=3 4579 B14R1.177 CCSCC(=O)NCCc1ccco1 240690a_100000694680_100000230394 [0,1,0,0,0,1|0,1,0]=3 4580 B14R1.177 CCSCC(=O)NCCc1ccco1 527a_100000694680_100000230394 [0,1,0,0,0,1|0,1,0]=3 4581 B14R1.177 CCSCC(=O)NCCc1cccs1 11a_100000203755_100000230394 [0,1,0,0,0,1|0,2,0]=4 4582 B14R1.177 CCSCC(=O)NCCc1cccs1 1626a_100000203755_100000230394 [0,1,0,0,0,1|0,2,0]=4 4583 B14R1.177 CCSCC(=O)NCCc1cccs1 240690a_100000203755_100000230394 [0,1,0,0,0,1|0,2,0]=4 4584 B14R1.177 CCSCC(=O)NCCc1cccs1 527a_100000203755_100000230394 [0,1,0,0,0,1|0,2,0]=4 4585 B14R1.177 CCSCC(=O)NCCc1cccs1 62a_100000198571_100000210202 [0,1,0,0,0,1|0,2,0]=4 4586 B14R1.177 CCSCC(=O)NCCc1cccs1 62a_100000210202_100000198571 [0,1,0,0,0,1|0,2,0]=4 4587 B14R1.177 COC=CC(=O)NCCc1ccco1 1626a_100000694680_100016268678 [0,1,0,0,0,1|1,0,1]=4 4588 B14R1.177 COC=CC(=O)NCCc1ccco1 240690a_100000694680_100016268678 [0,1,0,0,0,1|1,0,1]=4 4589 B14R1.177 COCCC(=O)CCCc1cccs1 1458a_100000184482_100000233755 [0,1,0,0,0,1|1,1,0]=4 4590 B14R1.177 COCCC(=O)CCCc1cccs1 1458a_100000749529_100010992444 [0,1,0,0,0,1|1,1,0]=4 4591 B14R1.177 COCCC(=O)NCCc1ccco1 11a_100000694680_100000749529 [0,1,0,0,0,1|1,0,0]=3 4592 B14R1.177 COCCC(=O)NCCc1ccco1 1626a_100000694680_100000749529 [0,1,0,0,0,1|1,0,0]=3 4593 B14R1.177 COCCC(=O)NCCc1ccco1 240690a_100000694680_100000749529 [0,1,0,0,0,1|1,0,0]=3 4594 B14R1.177 COCCC(=O)NCCc1ccco1 527a_100000694680_100000749529 [0,1,0,0,0,1|1,0,0]=3 4595 B14R1.177 COCCC(=O)NCCc1cccs1 11a_100000203755_100000749529 [0,1,0,0,0,1|1,1,0]=4 4596 B14R1.177 COCCC(=O)NCCc1cccs1 1626a_100000203755_100000749529 [0,1,0,0,0,1|1,1,0]=4 4597 B14R1.177 COCCC(=O)NCCc1cccs1 240690a_100000203755_100000749529 [0,1,0,0,0,1|1,1,0]=4 4598 B14R1.177 COCCC(=O)NCCc1cccs1 527a_100000203755_100000749529 [0,1,0,0,0,1|1,1,0]=4 4599 B14R1.177 CSCCC(=O)CCCc1cccs1 1458a_100000174002_100010992444 [0,1,0,0,0,1|1,1,0]=4 4600 B14R1.177 CSCCC(=O)CCCc1cccs1 1458a_100000184482_100000751147 [0,1,0,0,0,1|1,1,0]=4 4601 B14R1.177 CSCCC(=O)NCCc1ccco1 11a_100000694680_100000174002 [0,1,0,0,0,1|1,0,0]=3 4602 B14R1.177 CSCCC(=O)NCCc1ccco1 1626a_100000694680_100000174002 [0,1,0,0,0,1|1,0,0]=3 4603 B14R1.177 CSCCC(=O)NCCc1ccco1 240690a_100000694680_100000174002 [0,1,0,0,0,1|1,0,0]=3 4604 B14R1.177 CSCCC(=O)NCCc1ccco1 527a_100000694680_100000174002 [0,1,0,0,0,1|1,0,0]=3 4605 B14R1.177 CSCCC(=O)NCCc1cccs1 11a_100000203755_100000174002 [0,1,0,0,0,1|1,1,0]=4 4606 B14R1.177 CSCCC(=O)NCCc1cccs1 1626a_100000203755_100000174002 [0,1,0,0,0,1|1,1,0]=4 4607 B14R1.177 CSCCC(=O)NCCc1cccs1 240690a_100000203755_100000174002 [0,1,0,0,0,1|1,1,0]=4 4608 B14R1.177 CSCCC(=O)NCCc1cccs1 527a_100000203755_100000174002 [0,1,0,0,0,1|1,1,0]=4 4609 B14R1.177 N#CCCC(=O)NCCc1ccco1 11a_100000694680_100011934036 [0,1,0,0,0,1|1,0,1]=4 4610 B14R1.177 N#CCCC(=O)NCCc1ccco1 1626a_100000694680_100011934036 [0,1,0,0,0,1|1,0,1]=4 4611 B14R1.177 N#CCCC(=O)NCCc1ccco1 240690a_100000694680_100011934036 [0,1,0,0,0,1|1,0,1]=4 4612 B14R1.177 N#CCCC(=O)NCCc1ccco1 527a_100000694680_100011934036 [0,1,0,0,0,1|1,0,1]=4 4613 B14R1.177 N#CCNC(=O)CNCc1ccco1 2230a_100000185738_100000736037 [0,1,0,0,0,1|1,0,1]=4 4614 B14R1.177 N#CCNC(=O)NCCc1ccco1 2708a_100000734998_100000694680 [0,1,0,0,0,1|1,0,1]=4 4615 B14R1.177 N#CCNC(=O)NCCc1ccco1 273464a_100000694680_100000734998 [0,1,0,0,0,1|1,0,1]=4 4616 B14R1.177 N#CCNC(=O)NCCc1ccco1 512a_100000694680_100000734998 [0,1,0,0,0,1|1,0,1]=4 4617 B14R1.177 N#CCNC(=O)NCCc1ccco1 512a_100000734998_100000694680 [0,1,0,0,0,1|1,0,1]=4 4618 B14R1.177 O=C(CCCF)CCCc1cccs1 1458a_100000184482_100011934791 [0,1,0,0,0,1|1,1,0]=4 4619 B14R1.177 O=C(CCCO)CCCc1cccs1 1458a_100000184482_100011215043 [0,1,0,0,0,1|1,1,0]=4 4620 B14R1.177 O=C(CCCc1cccs1)NCCF 11a_100000724931_100000184482 [0,1,0,0,0,1|1,1,0]=4 4621 B14R1.177 O=C(CCCc1cccs1)NCCF 1626a_100000724931_100000184482 [0,1,0,0,0,1|1,1,0]=4 4622 B14R1.177 O=C(CCCc1cccs1)NCCF 240690a_100000724931_100000184482 [0,1,0,0,0,1|1,1,0]=4 4623 B14R1.177 O=C(CCCc1cccs1)NCCF 527a_100000724931_100000184482 [0,1,0,0,0,1|1,1,0]=4 4624 B14R1.177 O=C(CCCc1cccs1)NCCO 240690a_100000210304_100000184482 [0,1,0,0,0,1|1,1,0]=4 4625 B14R1.177 O=C(CCCc1cccs1)NCCO 527a_100000210304_100000184482 [0,1,0,0,0,1|1,1,0]=4 4626 B14R1.177 O=C(CNCc1ccco1)NCCF 270004a_100000725713_100000186105 [0,1,0,0,0,1|1,0,0]=3 4627 B14R1.177 O=C(CNCc1cccs1)NCCF 270004a_100000725713_100000209959 [0,1,0,0,0,1|1,1,0]=4 4628 B14R1.177 O=C(CNCc1cnco1)NCCF 270004a_100000725713_100000064291 [0,1,0,0,0,1|2,0,0]=4 4629 B14R1.177 O=C(CNCc1ncco1)NCCF 2230a_100000725713_103436540062 [0,1,0,0,0,1|2,0,0]=4 4630 B14R1.177 O=C(CNCc1ncco1)NCCF 270004a_100000725713_100000064290 [0,1,0,0,0,1|2,0,0]=4 4631 B14R1.177 O=C(NCCF)NCCc1ccco1 2708a_100000694680_100000724931 [0,1,0,0,0,1|1,0,0]=3 4632 B14R1.177 O=C(NCCF)NCCc1ccco1 273464a_100000694680_100000724931 [0,1,0,0,0,1|1,0,0]=3 4633 B14R1.177 O=C(NCCF)NCCc1ccco1 512a_100000694680_100000724931 [0,1,0,0,0,1|1,0,0]=3 4634 B14R1.177 O=C(NCCF)NCCc1cccs1 2708a_100000203755_100000724931 [0,1,0,0,0,1|1,1,0]=4 4635 B14R1.177 O=C(NCCF)NCCc1cccs1 273464a_100000203755_100000724931 [0,1,0,0,0,1|1,1,0]=4 4636 B14R1.177 O=C(NCCF)NCCc1cccs1 273464a_100000724931_100000203755 [0,1,0,0,0,1|1,1,0]=4 4637 B14R1.177 O=C(NCCF)NCCc1cccs1 512a_100000203755_100000724931 [0,1,0,0,0,1|1,1,0]=4 4638 B14R1.177 O=C(NCCO)NCCc1ccco1 2708a_100000694680_100000210304 [0,1,0,0,0,1|1,0,0]=3 4639 B14R1.177 O=C(NCCO)NCCc1ccco1 273464a_100000694680_100000210304 [0,1,0,0,0,1|1,0,0]=3 4640 B14R1.177 O=C(NCCO)NCCc1ccco1 512a_100000694680_100000210304 [0,1,0,0,0,1|1,0,0]=3 4641 B14R1.177 O=C(NCCO)NCCc1cccs1 2708a_100000203755_100000210304 [0,1,0,0,0,1|1,1,0]=4 4642 B14R1.177 O=C(NCCO)NCCc1cccs1 273464a_100000203755_100000210304 [0,1,0,0,0,1|1,1,0]=4 4643 B14R1.177 O=C(NCCO)NCCc1cccs1 273464a_100000210304_100000203755 [0,1,0,0,0,1|1,1,0]=4 4644 B14R1.177 O=C(NCCO)NCCc1cccs1 512a_100000203755_100000210304 [0,1,0,0,0,1|1,1,0]=4 4645 B14R1.519 C=COC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000036128 [0,1,0,0,0,1|0,0,2]=4 4646 B14R1.519 C=COC(=O)CNCc1ccc(o1)C 34a_100011194323_100000036128 [0,1,0,0,0,1|0,0,2]=4 4647 B14R1.519 C=COC(=O)COCc1ccc(o1)Br 34a_100000246276_100000036128 [0,1,0,0,0,1|0,0,2]=4 4648 B14R1.519 C=COC(=O)COCc1ccc(o1)C 34a_100011232665_100000036128 [0,1,0,0,0,1|0,0,2]=4 4649 B14R1.519 CC=CC(=O)NCCc1ccc(o1)C 11a_100000739271_100000210699 [0,1,0,0,0,1|1,0,1]=4 4650 B14R1.519 CC=CC(=O)NCCc1ccc(o1)C 1626a_100000739271_100000210699 [0,1,0,0,0,1|1,0,1]=4 4651 B14R1.519 CCCC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000747444 [0,1,0,0,0,1|1,1,0]=4 4652 B14R1.519 CCCC(=O)CNCc1cc(cs1)C 2230a_100015204214_100000747444 [0,1,0,0,0,1|1,1,0]=4 4653 B14R1.519 CCCC(=O)CNCc1cc(no1)Br 2230a_100015193020_100000747444 [0,1,0,0,0,1|2,0,0]=4 4654 B14R1.519 CCCC(=O)CNCc1cc(no1)C 2230a_100000745748_100000747444 [0,1,0,0,0,1|2,0,0]=4 4655 B14R1.519 CCCC(=O)CNCc1ccc(s1)C 2230a_100000238518_100000747444 [0,1,0,0,0,1|1,1,0]=4 4656 B14R1.519 CCCC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000747444 [0,1,0,0,0,1|1,1,0]=4 4657 B14R1.519 CCCC(=O)CNCc1ncc(o1)C 2230a_100138411809_100000747444 [0,1,0,0,0,1|2,0,0]=4 4658 B14R1.519 CCCC(=O)COCc1cc(cs1)Br 7a_100000238369_100000747444 [0,1,0,0,0,1|1,1,0]=4 4659 B14R1.519 CCCC(=O)COCc1cc(cs1)C 7a_200000068372_100000747444 [0,1,0,0,0,1|1,1,0]=4 4660 B14R1.519 CCCC(=O)COCc1ccc(o1)Br 7a_100000246276_100000747444 [0,1,0,0,0,1|1,0,0]=3 4661 B14R1.519 CCCC(=O)COCc1ccc(o1)C 7a_100011232665_100000747444 [0,1,0,0,0,1|1,0,0]=3 4662 B14R1.519 CCCC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747444 [0,1,0,0,0,1|1,1,0]=4 4663 B14R1.519 CCCC(=O)CSCc1cc(cs1)Br 62a_100000747444_100000746031 [0,1,0,0,0,1|1,1,0]=4 4664 B14R1.519 CCCC(=O)CSCc1cc(no1)Br 62a_100000709089_100000747444 [0,1,0,0,0,1|2,0,0]=4 4665 B14R1.519 CCCC(=O)CSCc1cc(no1)Br 62a_100000747444_100000709089 [0,1,0,0,0,1|2,0,0]=4 4666 B14R1.519 CCCC(=O)CSCc1cc(no1)C 62a_100000707947_100000747444 [0,1,0,0,0,1|2,0,0]=4 4667 B14R1.519 CCCC(=O)CSCc1cc(no1)C 62a_100000747444_100000707947 [0,1,0,0,0,1|2,0,0]=4 4668 B14R1.519 CCCC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747444 [0,1,0,0,0,1|1,1,0]=4 4669 B14R1.519 CCCC(=O)CSCc1ccc(s1)Br 62a_100000747444_100000708592 [0,1,0,0,0,1|1,1,0]=4 4670 B14R1.519 CCCC(=O)CSCc1ccc(s1)Cl 1458a_100000150175_100000210303 [0,1,0,0,0,1|1,1,0]=4 4671 B14R1.519 CCCC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747444 [0,1,0,0,0,1|1,1,0]=4 4672 B14R1.519 CCCC(=O)CSCc1ccc(s1)Cl 62a_100000747444_100000185097 [0,1,0,0,0,1|1,1,0]=4 4673 B14R1.519 CCCC(=O)NCCc1ccc(o1)C 11a_100000739271_100000211992 [0,1,0,0,0,1|1,0,0]=3 4674 B14R1.519 CCCC(=O)NCCc1ccc(o1)C 1626a_100000739271_100000211992 [0,1,0,0,0,1|1,0,0]=3 4675 B14R1.519 CCCC(=O)NCCc1ccc(o1)C 527a_100000739271_100000211992 [0,1,0,0,0,1|1,0,0]=3 4676 B14R1.519 CCCC(=O)NCCc1ccc(s1)Br 11a_100000217605_100000211992 [0,1,0,0,0,1|1,1,0]=4 4677 B14R1.519 CCCC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100000211992 [0,1,0,0,0,1|1,1,0]=4 4678 B14R1.519 CCCC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100000211992 [0,1,0,0,0,1|1,1,0]=4 4679 B14R1.519 CCCC(=O)NCCc1ccc(s1)Br 527a_100000217605_100000211992 [0,1,0,0,0,1|1,1,0]=4 4680 B14R1.519 CCNC(=O)CCSc1cc(cs1)C 62a_100000737597_100009876951 [0,1,0,0,0,1|1,1,0]=4 4681 B14R1.519 CCNC(=O)CCSc1cc(cs1)C 62a_100009876951_100000737597 [0,1,0,0,0,1|1,1,0]=4 4682 B14R1.519 CCNC(=O)CCSc1ccc(s1)Br 62a_100000737597_100010197418 [0,1,0,0,0,1|1,1,0]=4 4683 B14R1.519 CCNC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000737597 [0,1,0,0,0,1|1,1,0]=4 4684 B14R1.519 CCNC(=O)CCSc1ccc(s1)C 62a_100000031368_100000737597 [0,1,0,0,0,1|1,1,0]=4 4685 B14R1.519 CCNC(=O)CCSc1ccc(s1)C 62a_100000737597_100000031368 [0,1,0,0,0,1|1,1,0]=4 4686 B14R1.519 CCNC(=O)CNCc1cc(c[nH]1)Br 270004a_100016988866_100000720742 [0,1,0,0,0,1|2,0,0]=4 4687 B14R1.519 CCNC(=O)CNCc1cc(co1)Br 270004a_100016988866_100000747035 [0,1,0,0,0,1|1,0,0]=3 4688 B14R1.519 CCNC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000183381 [0,1,0,0,0,1|1,1,0]=4 4689 B14R1.519 CCNC(=O)CNCc1cc(cs1)Br 2230a_100016988866_100000746031 [0,1,0,0,0,1|1,1,0]=4 4690 B14R1.519 CCNC(=O)CNCc1cc(cs1)Br 270004a_100016988866_100000211722 [0,1,0,0,0,1|1,1,0]=4 4691 B14R1.519 CCNC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000183381 [0,1,0,0,0,1|1,1,0]=4 4692 B14R1.519 CCNC(=O)CNCc1cc(cs1)C 2230a_100015204214_100000183381 [0,1,0,0,0,1|1,1,0]=4 4693 B14R1.519 CCNC(=O)CNCc1cc(cs1)C 270004a_100016988866_100102525248 [0,1,0,0,0,1|1,1,0]=4 4694 B14R1.519 CCNC(=O)CNCc1cc(cs1)C 34a_100015204214_100000183381 [0,1,0,0,0,1|1,1,0]=4 4695 B14R1.519 CCNC(=O)CNCc1cc(cs1)Cl 270004a_100016988866_100000102487 [0,1,0,0,0,1|1,1,0]=4 4696 B14R1.519 CCNC(=O)CNCc1cc(no1)Br 2230a_100015193020_100000183381 [0,1,0,0,0,1|2,0,0]=4 4697 B14R1.519 CCNC(=O)CNCc1cc(no1)Br 270004a_100016988866_100009819588 [0,1,0,0,0,1|2,0,0]=4 4698 B14R1.519 CCNC(=O)CNCc1cc(no1)Br 34a_100015193020_100000183381 [0,1,0,0,0,1|2,0,0]=4 4699 B14R1.519 CCNC(=O)CNCc1cc(no1)C 2230a_100000745748_100000183381 [0,1,0,0,0,1|2,0,0]=4 4700 B14R1.519 CCNC(=O)CNCc1cc(no1)C 2230a_100016988866_100000707947 [0,1,0,0,0,1|2,0,0]=4 4701 B14R1.519 CCNC(=O)CNCc1cc(no1)C 270004a_100016988866_100011794430 [0,1,0,0,0,1|2,0,0]=4 4702 B14R1.519 CCNC(=O)CNCc1cc(no1)C 34a_100000745748_100000183381 [0,1,0,0,0,1|2,0,0]=4 4703 B14R1.519 CCNC(=O)CNCc1ccc(o1)Br 270004a_100016988866_100000185145 [0,1,0,0,0,1|1,0,0]=3 4704 B14R1.519 CCNC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000183381 [0,1,0,0,0,1|1,0,0]=3 4705 B14R1.519 CCNC(=O)CNCc1ccc(o1)C 270004a_100016988866_100000183696 [0,1,0,0,0,1|1,0,0]=3 4706 B14R1.519 CCNC(=O)CNCc1ccc(o1)C 34a_100011194323_100000183381 [0,1,0,0,0,1|1,0,0]=3 4707 B14R1.519 CCNC(=O)CNCc1ccc(o1)Cl 270004a_100016988866_100000188459 [0,1,0,0,0,1|1,0,0]=3 4708 B14R1.519 CCNC(=O)CNCc1ccc(s1)Br 2230a_100016988866_100000708592 [0,1,0,0,0,1|1,1,0]=4 4709 B14R1.519 CCNC(=O)CNCc1ccc(s1)Br 270004a_100016988866_100000179771 [0,1,0,0,0,1|1,1,0]=4 4710 B14R1.519 CCNC(=O)CNCc1ccc(s1)C 2230a_100000238518_100000183381 [0,1,0,0,0,1|1,1,0]=4 4711 B14R1.519 CCNC(=O)CNCc1ccc(s1)C 270004a_100016988866_100000211121 [0,1,0,0,0,1|1,1,0]=4 4712 B14R1.519 CCNC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000183381 [0,1,0,0,0,1|1,1,0]=4 4713 B14R1.519 CCNC(=O)CNCc1ccc(s1)Cl 2230a_100016988866_100000185097 [0,1,0,0,0,1|1,1,0]=4 4714 B14R1.519 CCNC(=O)CNCc1ccc(s1)Cl 270004a_100016988866_100000242774 [0,1,0,0,0,1|1,1,0]=4 4715 B14R1.519 CCNC(=O)CNCc1cnc(o1)C 270004a_100016988866_100000084308 [0,1,0,0,0,1|2,0,0]=4 4716 B14R1.519 CCNC(=O)CNCc1ncc(o1)C 2230a_100138411809_100000183381 [0,1,0,0,0,1|2,0,0]=4 4717 B14R1.519 CCNC(=O)CNCc1ncc(o1)C 34a_100138411809_100000183381 [0,1,0,0,0,1|2,0,0]=4 4718 B14R1.519 CCNC(=O)COCc1cc(cs1)Br 34a_100000238369_100000183381 [0,1,0,0,0,1|1,1,0]=4 4719 B14R1.519 CCNC(=O)COCc1cc(cs1)Br 7a_100000238369_100000183381 [0,1,0,0,0,1|1,1,0]=4 4720 B14R1.519 CCNC(=O)COCc1cc(cs1)C 34a_200000068372_100000183381 [0,1,0,0,0,1|1,1,0]=4 4721 B14R1.519 CCNC(=O)COCc1cc(cs1)C 7a_200000068372_100000183381 [0,1,0,0,0,1|1,1,0]=4 4722 B14R1.519 CCNC(=O)COCc1cc(no1)Br 34a_100009816691_100000183381 [0,1,0,0,0,1|2,0,0]=4 4723 B14R1.519 CCNC(=O)COCc1cc(no1)C 34a_100000684692_100000183381 [0,1,0,0,0,1|2,0,0]=4 4724 B14R1.519 CCNC(=O)COCc1ccc(o1)Br 34a_100000246276_100000183381 [0,1,0,0,0,1|1,0,0]=3 4725 B14R1.519 CCNC(=O)COCc1ccc(o1)Br 7a_100000246276_100000183381 [0,1,0,0,0,1|1,0,0]=3 4726 B14R1.519 CCNC(=O)COCc1ccc(o1)C 34a_100011232665_100000183381 [0,1,0,0,0,1|1,0,0]=3 4727 B14R1.519 CCNC(=O)COCc1ccc(o1)C 7a_100011232665_100000183381 [0,1,0,0,0,1|1,0,0]=3 4728 B14R1.519 CCNC(=O)COCc1ccc(s1)C 34a_100000238367_100000183381 [0,1,0,0,0,1|1,1,0]=4 4729 B14R1.519 CCNC(=O)CSCc1cc(cs1)Br 62a_100000183381_100000746031 [0,1,0,0,0,1|1,1,0]=4 4730 B14R1.519 CCNC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000183381 [0,1,0,0,0,1|1,1,0]=4 4731 B14R1.519 CCNC(=O)CSCc1cc(no1)Br 62a_100000183381_100000709089 [0,1,0,0,0,1|2,0,0]=4 4732 B14R1.519 CCNC(=O)CSCc1cc(no1)Br 62a_100000709089_100000183381 [0,1,0,0,0,1|2,0,0]=4 4733 B14R1.519 CCNC(=O)CSCc1cc(no1)C 62a_100000183381_100000707947 [0,1,0,0,0,1|2,0,0]=4 4734 B14R1.519 CCNC(=O)CSCc1cc(no1)C 62a_100000707947_100000183381 [0,1,0,0,0,1|2,0,0]=4 4735 B14R1.519 CCNC(=O)CSCc1ccc(s1)Br 62a_100000183381_100000708592 [0,1,0,0,0,1|1,1,0]=4 4736 B14R1.519 CCNC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000183381 [0,1,0,0,0,1|1,1,0]=4 4737 B14R1.519 CCNC(=O)CSCc1ccc(s1)Cl 11a_100015525214_100000150175 [0,1,0,0,0,1|1,1,0]=4 4738 B14R1.519 CCNC(=O)CSCc1ccc(s1)Cl 240690a_100015525214_100000150175 [0,1,0,0,0,1|1,1,0]=4 4739 B14R1.519 CCNC(=O)CSCc1ccc(s1)Cl 527a_100015525214_100000150175 [0,1,0,0,0,1|1,1,0]=4 4740 B14R1.519 CCNC(=O)CSCc1ccc(s1)Cl 62a_100000183381_100000185097 [0,1,0,0,0,1|1,1,0]=4 4741 B14R1.519 CCNC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000183381 [0,1,0,0,0,1|1,1,0]=4 4742 B14R1.519 CCNC(=O)NCCc1ccc(o1)C 2708a_100000739271_100015525214 [0,1,0,0,0,1|1,0,0]=3 4743 B14R1.519 CCNC(=O)NCCc1ccc(o1)C 2708a_100015525214_100000739271 [0,1,0,0,0,1|1,0,0]=3 4744 B14R1.519 CCNC(=O)NCCc1ccc(o1)C 512a_100000739271_100015525214 [0,1,0,0,0,1|1,0,0]=3 4745 B14R1.519 CCNC(=O)NCCc1ccc(o1)C 512a_100015525214_100000739271 [0,1,0,0,0,1|1,0,0]=3 4746 B14R1.519 CCNC(=O)NCCc1ccc(s1)Br 2708a_100000217605_100015525214 [0,1,0,0,0,1|1,1,0]=4 4747 B14R1.519 CCNC(=O)NCCc1ccc(s1)Br 2708a_100015525214_100000217605 [0,1,0,0,0,1|1,1,0]=4 4748 B14R1.519 CCNC(=O)NCCc1ccc(s1)Br 273464a_100000217605_100015525214 [0,1,0,0,0,1|1,1,0]=4 4749 B14R1.519 CCNC(=O)NCCc1ccc(s1)Br 273464a_100015525214_100000217605 [0,1,0,0,0,1|1,1,0]=4 4750 B14R1.519 CCNC(=O)NCCc1ccc(s1)Br 512a_100000217605_100015525214 [0,1,0,0,0,1|1,1,0]=4 4751 B14R1.519 CCNC(=O)NCCc1ccc(s1)Br 512a_100015525214_100000217605 [0,1,0,0,0,1|1,1,0]=4 4752 B14R1.519 CCOC(=O)CCCc1nc(no1)C 270196a_100000212224_100000210991 [0,1,0,0,0,1|2,0,0]=4 4753 B14R1.519 CCOC(=O)CCOc1ccn(n1)C 34a_100012642153_100000765890 [0,1,0,0,0,1|2,0,0]=4 4754 B14R1.519 CCOC(=O)CCSc1c[nH]c(n1)C 62a_100000765890_100009814057 [0,1,0,0,0,1|2,0,0]=4 4755 B14R1.519 CCOC(=O)CCSc1c[nH]c(n1)C 62a_100009814057_100000765890 [0,1,0,0,0,1|2,0,0]=4 4756 B14R1.519 CCOC(=O)CCSc1cc([nH]n1)C 62a_100000765890_100009819999 [0,1,0,0,0,1|2,0,0]=4 4757 B14R1.519 CCOC(=O)CCSc1cc([nH]n1)C 62a_100009819999_100000765890 [0,1,0,0,0,1|2,0,0]=4 4758 B14R1.519 CCOC(=O)CCSc1cc([nH]n1)N 62a_100000765890_100009822546 [0,1,0,0,0,1|2,0,0]=4 4759 B14R1.519 CCOC(=O)CCSc1cc([nH]n1)N 62a_100009822546_100000765890 [0,1,0,0,0,1|2,0,0]=4 4760 B14R1.519 CCOC(=O)CCSc1cc(cs1)C 62a_100000765890_100009876951 [0,1,0,0,0,1|0,1,0]=3 4761 B14R1.519 CCOC(=O)CCSc1cc(cs1)C 62a_100009876951_100000765890 [0,1,0,0,0,1|0,1,0]=3 4762 B14R1.519 CCOC(=O)CCSc1cc(n[nH]1)Br 62a_100000765890_100160470719 [0,1,0,0,0,1|2,0,0]=4 4763 B14R1.519 CCOC(=O)CCSc1cc(n[nH]1)Br 62a_100160470719_100000765890 [0,1,0,0,0,1|2,0,0]=4 4764 B14R1.519 CCOC(=O)CCSc1cc(ns1)C 62a_100000765890_100009815735 [0,1,0,0,0,1|1,1,0]=4 4765 B14R1.519 CCOC(=O)CCSc1cc(ns1)C 62a_100009815735_100000765890 [0,1,0,0,0,1|1,1,0]=4 4766 B14R1.519 CCOC(=O)CCSc1cc(on1)C 62a_100000716708_100000765890 [0,1,0,0,0,1|2,0,0]=4 4767 B14R1.519 CCOC(=O)CCSc1cc(on1)C 62a_100000765890_100000716708 [0,1,0,0,0,1|2,0,0]=4 4768 B14R1.519 CCOC(=O)CCSc1ccc(s1)Br 62a_100000765890_100010197418 [0,1,0,0,0,1|0,1,0]=3 4769 B14R1.519 CCOC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000765890 [0,1,0,0,0,1|0,1,0]=3 4770 B14R1.519 CCOC(=O)CCSc1ccc(s1)C 62a_100000031368_100000765890 [0,1,0,0,0,1|0,1,0]=3 4771 B14R1.519 CCOC(=O)CCSc1ccc(s1)C 62a_100000765890_100000031368 [0,1,0,0,0,1|0,1,0]=3 4772 B14R1.519 CCOC(=O)CCSc1ccn(n1)C 62a_100000752436_100000765890 [0,1,0,0,0,1|2,0,0]=4 4773 B14R1.519 CCOC(=O)CCSc1ccn(n1)C 62a_100000765890_100000752436 [0,1,0,0,0,1|2,0,0]=4 4774 B14R1.519 CCOC(=O)CCSc1cn(cn1)C 62a_100000040308_100000765890 [0,1,0,0,0,1|2,0,0]=4 4775 B14R1.519 CCOC(=O)CCSc1cn(cn1)C 62a_100000765890_100000040308 [0,1,0,0,0,1|2,0,0]=4 4776 B14R1.519 CCOC(=O)CCSc1cnc(s1)Br 62a_100000765890_100012357534 [0,1,0,0,0,1|1,1,0]=4 4777 B14R1.519 CCOC(=O)CCSc1cnc(s1)Br 62a_100012357534_100000765890 [0,1,0,0,0,1|1,1,0]=4 4778 B14R1.519 CCOC(=O)CCSc1cnc(s1)C 62a_100000764884_100000765890 [0,1,0,0,0,1|1,1,0]=4 4779 B14R1.519 CCOC(=O)CCSc1cnc(s1)C 62a_100000765890_100000764884 [0,1,0,0,0,1|1,1,0]=4 4780 B14R1.519 CCOC(=O)CCSc1cnc(s1)N 62a_100000718969_100000765890 [0,1,0,0,0,1|1,1,0]=4 4781 B14R1.519 CCOC(=O)CCSc1cnc(s1)N 62a_100000765890_100000718969 [0,1,0,0,0,1|1,1,0]=4 4782 B14R1.519 CCOC(=O)CCSc1csc(c1)C 62a_100000759034_100000765890 [0,1,0,0,0,1|2,0,0]=4 4783 B14R1.519 CCOC(=O)CCSc1csc(c1)C 62a_100000765890_100000759034 [0,1,0,0,0,1|2,0,0]=4 4784 B14R1.519 CCOC(=O)CCSc1csc(n1)C 62a_100000765890_100011934587 [0,1,0,0,0,1|2,0,0]=4 4785 B14R1.519 CCOC(=O)CCSc1csc(n1)C 62a_100011934587_100000765890 [0,1,0,0,0,1|2,0,0]=4 4786 B14R1.519 CCOC(=O)CCSc1csc(n1)N 62a_100000765890_100011998049 [0,1,0,0,0,1|2,0,0]=4 4787 B14R1.519 CCOC(=O)CCSc1csc(n1)N 62a_100011998049_100000765890 [0,1,0,0,0,1|2,0,0]=4 4788 B14R1.519 CCOC(=O)CCSc1nc(c[nH]1)C 62a_100000765890_100161115468 [0,1,0,0,0,1|2,0,0]=4 4789 B14R1.519 CCOC(=O)CCSc1nc(c[nH]1)C 62a_100161115468_100000765890 [0,1,0,0,0,1|2,0,0]=4 4790 B14R1.519 CCOC(=O)CCSc1nc(cs1)Br 62a_100000765890_200016082925 [0,1,0,0,0,1|1,1,0]=4 4791 B14R1.519 CCOC(=O)CCSc1nc(cs1)Br 62a_200016082925_100000765890 [0,1,0,0,0,1|1,1,0]=4 4792 B14R1.519 CCOC(=O)CCSc1nc(cs1)C 62a_100000765890_100011291629 [0,1,0,0,0,1|1,1,0]=4 4793 B14R1.519 CCOC(=O)CCSc1nc(cs1)C 62a_100011291629_100000765890 [0,1,0,0,0,1|1,1,0]=4 4794 B14R1.519 CCOC(=O)CCSc1nc(cs1)N 62a_100000765890_200015188442 [0,1,0,0,0,1|1,1,0]=4 4795 B14R1.519 CCOC(=O)CCSc1nc(cs1)N 62a_200015188442_100000765890 [0,1,0,0,0,1|1,1,0]=4 4796 B14R1.519 CCOC(=O)CCSc1ncc(s1)C 62a_100000690809_100000765890 [0,1,0,0,0,1|1,1,0]=4 4797 B14R1.519 CCOC(=O)CCSc1ncc(s1)C 62a_100000765890_100000690809 [0,1,0,0,0,1|1,1,0]=4 4798 B14R1.519 CCOC(=O)CCSc1nnc(o1)C 62a_100000765890_100000708914 [0,1,0,0,0,1|2,0,0]=4 4799 B14R1.519 CCOC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000188475 [0,1,0,0,0,1|0,1,0]=3 4800 B14R1.519 CCOC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000188475 [0,1,0,0,0,1|0,1,0]=3 4801 B14R1.519 CCOC(=O)CNCc1cc(cs1)C 2230a_100015204214_100000188475 [0,1,0,0,0,1|0,1,0]=3 4802 B14R1.519 CCOC(=O)CNCc1cc(cs1)C 34a_100015204214_100000188475 [0,1,0,0,0,1|0,1,0]=3 4803 B14R1.519 CCOC(=O)CNCc1cc(no1)Br 2230a_100015193020_100000188475 [0,1,0,0,0,1|1,0,0]=3 4804 B14R1.519 CCOC(=O)CNCc1cc(no1)Br 34a_100015193020_100000188475 [0,1,0,0,0,1|1,0,0]=3 4805 B14R1.519 CCOC(=O)CNCc1cc(no1)C 2230a_100000745748_100000188475 [0,1,0,0,0,1|1,0,0]=3 4806 B14R1.519 CCOC(=O)CNCc1cc(no1)C 34a_100000745748_100000188475 [0,1,0,0,0,1|1,0,0]=3 4807 B14R1.519 CCOC(=O)CNCc1cc(on1)C 2230a_100000745230_100000188475 [0,1,0,0,0,1|2,0,0]=4 4808 B14R1.519 CCOC(=O)CNCc1cc(on1)C 34a_100000745230_100000188475 [0,1,0,0,0,1|2,0,0]=4 4809 B14R1.519 CCOC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000188475 [0,1,0,0,0,1|0,0,0]=2 4810 B14R1.519 CCOC(=O)CNCc1ccc(o1)C 34a_100011194323_100000188475 [0,1,0,0,0,1|0,0,0]=2 4811 B14R1.519 CCOC(=O)CNCc1ccc(s1)C 2230a_100000238518_100000188475 [0,1,0,0,0,1|0,1,0]=3 4812 B14R1.519 CCOC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000188475 [0,1,0,0,0,1|0,1,0]=3 4813 B14R1.519 CCOC(=O)CNCc1ccn(n1)C 2230a_100020636201_100000188475 [0,1,0,0,0,1|2,0,0]=4 4814 B14R1.519 CCOC(=O)CNCc1ccn(n1)C 34a_100020636201_100000188475 [0,1,0,0,0,1|2,0,0]=4 4815 B14R1.519 CCOC(=O)CNCc1cnc(s1)Br 2230a_100000726991_100000188475 [0,1,0,0,0,1|1,1,0]=4 4816 B14R1.519 CCOC(=O)CNCc1cnc(s1)C 2230a_200000743601_100000188475 [0,1,0,0,0,1|1,1,0]=4 4817 B14R1.519 CCOC(=O)CNCc1cnc(s1)Cl 2230a_100000726635_100000188475 [0,1,0,0,0,1|1,1,0]=4 4818 B14R1.519 CCOC(=O)CNCc1csc(n1)C 34a_100000707933_100000188475 [0,1,0,0,0,1|2,0,0]=4 4819 B14R1.519 CCOC(=O)CNCc1nc(cs1)C 2230a_100015183719_100000188475 [0,1,0,0,0,1|1,1,0]=4 4820 B14R1.519 CCOC(=O)CNCc1ncc(o1)C 2230a_100138411809_100000188475 [0,1,0,0,0,1|1,0,0]=3 4821 B14R1.519 CCOC(=O)CNCc1ncc(o1)C 34a_100138411809_100000188475 [0,1,0,0,0,1|1,0,0]=3 4822 B14R1.519 CCOC(=O)CNCc1nnc(o1)C 2230a_200000236979_100000188475 [0,1,0,0,0,1|2,0,0]=4 4823 B14R1.519 CCOC(=O)CNCc1nnc(o1)C 34a_200000236979_100000188475 [0,1,0,0,0,1|2,0,0]=4 4824 B14R1.519 CCOC(=O)COCc1cc(cs1)Br 34a_100000238369_100000188475 [0,1,0,0,0,1|0,1,0]=3 4825 B14R1.519 CCOC(=O)COCc1cc(cs1)Br 7a_100000238369_100000188475 [0,1,0,0,0,1|0,1,0]=3 4826 B14R1.519 CCOC(=O)COCc1cc(cs1)C 34a_200000068372_100000188475 [0,1,0,0,0,1|0,1,0]=3 4827 B14R1.519 CCOC(=O)COCc1cc(cs1)C 7a_200000068372_100000188475 [0,1,0,0,0,1|0,1,0]=3 4828 B14R1.519 CCOC(=O)COCc1cc(no1)Br 34a_100009816691_100000188475 [0,1,0,0,0,1|1,0,0]=3 4829 B14R1.519 CCOC(=O)COCc1cc(no1)C 34a_100000684692_100000188475 [0,1,0,0,0,1|1,0,0]=3 4830 B14R1.519 CCOC(=O)COCc1cc(on1)C 34a_100011216401_100000188475 [0,1,0,0,0,1|2,0,0]=4 4831 B14R1.519 CCOC(=O)COCc1ccc(o1)Br 34a_100000246276_100000188475 [0,1,0,0,0,1|0,0,0]=2 4832 B14R1.519 CCOC(=O)COCc1ccc(o1)Br 7a_100000246276_100000188475 [0,1,0,0,0,1|0,0,0]=2 4833 B14R1.519 CCOC(=O)COCc1ccc(o1)C 34a_100011232665_100000188475 [0,1,0,0,0,1|0,0,0]=2 4834 B14R1.519 CCOC(=O)COCc1ccc(o1)C 7a_100011232665_100000188475 [0,1,0,0,0,1|0,0,0]=2 4835 B14R1.519 CCOC(=O)COCc1ccc(s1)C 34a_100000238367_100000188475 [0,1,0,0,0,1|0,1,0]=3 4836 B14R1.519 CCOC(=O)COCc1ccn(n1)C 34a_100000744484_100000188475 [0,1,0,0,0,1|2,0,0]=4 4837 B14R1.519 CCOC(=O)COCc1cn(cn1)C 34a_100000710007_100000188475 [0,1,0,0,0,1|2,0,0]=4 4838 B14R1.519 CCOC(=O)COCc1cnc(s1)Br 7a_100009816753_100000188475 [0,1,0,0,0,1|1,1,0]=4 4839 B14R1.519 CCOC(=O)COCc1cnc(s1)C 7a_100000743366_100000188475 [0,1,0,0,0,1|1,1,0]=4 4840 B14R1.519 CCOC(=O)COCc1cnc(s1)Cl 7a_100000697714_100000188475 [0,1,0,0,0,1|1,1,0]=4 4841 B14R1.519 CCOC(=O)COCc1cnc(s1)N 7a_100011997359_100000188475 [0,1,0,0,0,1|1,1,0]=4 4842 B14R1.519 CCOC(=O)COCc1coc(n1)C 34a_100012017233_100000188475 [0,1,0,0,0,1|2,0,0]=4 4843 B14R1.519 CCOC(=O)COCc1csc(c1)Cl 34a_100009863405_100000188475 [0,1,0,0,0,1|2,0,0]=4 4844 B14R1.519 CCOC(=O)COCc1csc(c1)Cl 7a_100009863405_100000188475 [0,1,0,0,0,1|2,0,0]=4 4845 B14R1.519 CCOC(=O)COCc1csc(n1)C 34a_100000735831_100000188475 [0,1,0,0,0,1|2,0,0]=4 4846 B14R1.519 CCOC(=O)COCc1nc(cs1)Br 7a_100012000107_100000188475 [0,1,0,0,0,1|1,1,0]=4 4847 B14R1.519 CCOC(=O)COCc1nc(no1)C 34a_100000749583_100000188475 [0,1,0,0,0,1|2,0,0]=4 4848 B14R1.519 CCOC(=O)COCc1nnc(o1)C 34a_100000749586_100000188475 [0,1,0,0,0,1|2,0,0]=4 4849 B14R1.519 CCOC(=O)COCn1cc(cn1)Cl 34a_100000732729_100000188475 [0,1,0,0,0,1|2,0,0]=4 4850 B14R1.519 CCOC(=O)CSCC1=CC(=O)OC1 62a_100000188475_100000716558 [0,1,0,0,0,1|2,0,0]=4 4851 B14R1.519 CCOC(=O)CSCC1=CC(=O)OC1 62a_100000716558_100000188475 [0,1,0,0,0,1|2,0,0]=4 4852 B14R1.519 CCOC(=O)CSCc1cc(cs1)Br 62a_100000188475_100000746031 [0,1,0,0,0,1|0,1,0]=3 4853 B14R1.519 CCOC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000188475 [0,1,0,0,0,1|0,1,0]=3 4854 B14R1.519 CCOC(=O)CSCc1cc(no1)Br 62a_100000188475_100000709089 [0,1,0,0,0,1|1,0,0]=3 4855 B14R1.519 CCOC(=O)CSCc1cc(no1)Br 62a_100000709089_100000188475 [0,1,0,0,0,1|1,0,0]=3 4856 B14R1.519 CCOC(=O)CSCc1cc(no1)C 62a_100000188475_100000707947 [0,1,0,0,0,1|1,0,0]=3 4857 B14R1.519 CCOC(=O)CSCc1cc(no1)C 62a_100000707947_100000188475 [0,1,0,0,0,1|1,0,0]=3 4858 B14R1.519 CCOC(=O)CSCc1cc(on1)C 62a_100000188475_100000199038 [0,1,0,0,0,1|2,0,0]=4 4859 B14R1.519 CCOC(=O)CSCc1cc(on1)C 62a_100000199038_100000188475 [0,1,0,0,0,1|2,0,0]=4 4860 B14R1.519 CCOC(=O)CSCc1ccc(s1)Br 62a_100000188475_100000708592 [0,1,0,0,0,1|0,1,0]=3 4861 B14R1.519 CCOC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000188475 [0,1,0,0,0,1|0,1,0]=3 4862 B14R1.519 CCOC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000188475 [0,1,0,0,0,1|0,1,0]=3 4863 B14R1.519 CCOC(=O)CSCc1ccc(s1)Cl 62a_100000188475_100000185097 [0,1,0,0,0,1|0,1,0]=3 4864 B14R1.519 CCOC(=O)CSCc1ccn(n1)C 62a_100000188475_100000726502 [0,1,0,0,0,1|2,0,0]=4 4865 B14R1.519 CCOC(=O)CSCc1ccn(n1)C 62a_100000726502_100000188475 [0,1,0,0,0,1|2,0,0]=4 4866 B14R1.519 CCOC(=O)CSCc1cn(cn1)C 62a_100000188475_100000717665 [0,1,0,0,0,1|2,0,0]=4 4867 B14R1.519 CCOC(=O)CSCc1cn(cn1)C 62a_100000717665_100000188475 [0,1,0,0,0,1|2,0,0]=4 4868 B14R1.519 CCOC(=O)CSCc1cnc(s1)Br 62a_100000188475_100000717027 [0,1,0,0,0,1|1,1,0]=4 4869 B14R1.519 CCOC(=O)CSCc1cnc(s1)Br 62a_100000717027_100000188475 [0,1,0,0,0,1|1,1,0]=4 4870 B14R1.519 CCOC(=O)CSCc1cnc(s1)C 62a_100000188475_100020635045 [0,1,0,0,0,1|1,1,0]=4 4871 B14R1.519 CCOC(=O)CSCc1cnc(s1)C 62a_100020635045_100000188475 [0,1,0,0,0,1|1,1,0]=4 4872 B14R1.519 CCOC(=O)CSCc1cnc(s1)Cl 62a_100000058068_100000188475 [0,1,0,0,0,1|1,1,0]=4 4873 B14R1.519 CCOC(=O)CSCc1cnc(s1)Cl 62a_100000188475_100000058068 [0,1,0,0,0,1|1,1,0]=4 4874 B14R1.519 CCOC(=O)CSCc1csc(n1)C 62a_100000188475_100015186478 [0,1,0,0,0,1|2,0,0]=4 4875 B14R1.519 CCOC(=O)CSCc1csc(n1)C 62a_100015186478_100000188475 [0,1,0,0,0,1|2,0,0]=4 4876 B14R1.519 CCOC(=O)CSCc1csc(n1)Cl 62a_100000024076_100000188475 [0,1,0,0,0,1|2,0,0]=4 4877 B14R1.519 CCOC(=O)CSCc1csc(n1)Cl 62a_100000188475_100000024076 [0,1,0,0,0,1|2,0,0]=4 4878 B14R1.519 CCOC(=O)CSCc1nc(no1)C 62a_100000188475_100000735555 [0,1,0,0,0,1|2,0,0]=4 4879 B14R1.519 CCOC(=O)CSCc1nc(no1)C 62a_100000735555_100000188475 [0,1,0,0,0,1|2,0,0]=4 4880 B14R1.519 CCOC(=O)CSCc1nnc(o1)C 62a_100000181450_100000188475 [0,1,0,0,0,1|2,0,0]=4 4881 B14R1.519 CCOC(=O)CSCc1nnc(o1)C 62a_100000188475_100000181450 [0,1,0,0,0,1|2,0,0]=4 4882 B14R1.519 CCOC(=O)OCSc1cc(cs1)C 62a_100009876951_100000075025 [0,1,0,0,0,1|1,1,0]=4 4883 B14R1.519 CCOC(=O)OCSc1ccc(s1)Br 62a_100010197418_100000075025 [0,1,0,0,0,1|1,1,0]=4 4884 B14R1.519 CCOC(=O)OCSc1ccc(s1)C 62a_100000031368_100000075025 [0,1,0,0,0,1|1,1,0]=4 4885 B14R1.519 CNNC(=O)NCCc1ccc(o1)C 512a_100000739271_100016993582 [0,1,0,0,0,1|2,0,0]=4 4886 B14R1.519 CNNC(=O)NCCc1ccc(o1)C 512a_100016993582_100000739271 [0,1,0,0,0,1|2,0,0]=4 4887 B14R1.519 COCC(=O)NCCc1ccc(o1)C 11a_100000739271_100000210968 [0,1,0,0,0,1|2,0,0]=4 4888 B14R1.519 COCC(=O)NCCc1ccc(o1)C 1626a_100000739271_100000210968 [0,1,0,0,0,1|2,0,0]=4 4889 B14R1.519 COCC(=O)NCCc1ccc(o1)C 527a_100000739271_100000210968 [0,1,0,0,0,1|2,0,0]=4 4890 B14R1.519 CSCC(=O)NCCc1ccc(o1)C 11a_100000739271_100000184570 [0,1,0,0,0,1|2,0,0]=4 4891 B14R1.519 CSCC(=O)NCCc1ccc(o1)C 1626a_100000739271_100000184570 [0,1,0,0,0,1|2,0,0]=4 4892 B14R1.519 CSCC(=O)NCCc1ccc(o1)C 527a_100000739271_100000184570 [0,1,0,0,0,1|2,0,0]=4 4893 B14R1.519 Cc1ccc(o1)CNCC(=O)NCO 34a_100011194323_100000185155 [0,1,0,0,0,1|2,0,0]=4 4894 B14R1.519 Cc1ccc(o1)COCC(=O)NCO 34a_100011232665_100000185155 [0,1,0,0,0,1|2,0,0]=4 4895 B14R1.519 Cc1ccc(o1)COCC(=O)NCO 7a_100011232665_100000185155 [0,1,0,0,0,1|2,0,0]=4 4896 B14R1.519 O=C(CNCc1ccc(o1)Br)NCO 34a_100000708654_100000185155 [0,1,0,0,0,1|2,0,0]=4 4897 B14R1.519 O=C(COCc1ccc(o1)Br)NCO 34a_100000246276_100000185155 [0,1,0,0,0,1|2,0,0]=4 4898 B14R1.519 O=C(COCc1ccc(o1)Br)NCO 7a_100000246276_100000185155 [0,1,0,0,0,1|2,0,0]=4 4899 B14R1.621 C=COC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000036128 [0,1,0,0,0,1|0,0,2]=4 4900 B14R1.621 C=COC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000036128 [0,1,0,0,0,1|0,0,2]=4 4901 B14R1.621 C=COC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000036128 [0,1,0,0,0,1|0,0,2]=4 4902 B14R1.621 CCCC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000747444 [0,1,0,0,0,1|2,0,0]=4 4903 B14R1.621 CCCC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747444 [0,1,0,0,0,1|1,0,0]=3 4904 B14R1.621 CCCC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747444 [0,1,0,0,0,1|1,1,0]=4 4905 B14R1.621 CCCC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000747444 [0,1,0,0,0,1|1,0,0]=3 4906 B14R1.621 CCCC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000747444 [0,1,0,0,0,1|1,0,0]=3 4907 B14R1.621 CCCC(=O)CN(C)Cc1cccs1 2230a_100000184426_100000747444 [0,1,0,0,0,1|1,1,0]=4 4908 B14R1.621 CCCC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000747444 [0,1,0,0,0,1|1,1,0]=4 4909 B14R1.621 CCCC(=O)NC(C)Cc1cccs1 11a_100000751415_100000211992 [0,1,0,0,0,1|1,1,0]=4 4910 B14R1.621 CCCC(=O)NC(C)Cc1cccs1 1626a_100000751415_100000211992 [0,1,0,0,0,1|1,1,0]=4 4911 B14R1.621 CCCC(=O)NC(C)Cc1cccs1 240690a_100000751415_100000211992 [0,1,0,0,0,1|1,1,0]=4 4912 B14R1.621 CCCC(=O)NC(C)Cc1cccs1 527a_100000751415_100000211992 [0,1,0,0,0,1|1,1,0]=4 4913 B14R1.621 CCNC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000183381 [0,1,0,0,0,1|2,0,0]=4 4914 B14R1.621 CCNC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000183381 [0,1,0,0,0,1|1,0,0]=3 4915 B14R1.621 CCNC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000183381 [0,1,0,0,0,1|1,1,0]=4 4916 B14R1.621 CCNC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000183381 [0,1,0,0,0,1|1,0,0]=3 4917 B14R1.621 CCNC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000183381 [0,1,0,0,0,1|1,0,0]=3 4918 B14R1.621 CCNC(=O)CN(C)Cc1ccco1 270004a_100000741943_100000186105 [0,1,0,0,0,1|1,0,0]=3 4919 B14R1.621 CCNC(=O)CN(C)Cc1cccs1 2230a_100000184426_100000183381 [0,1,0,0,0,1|1,1,0]=4 4920 B14R1.621 CCNC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000183381 [0,1,0,0,0,1|1,1,0]=4 4921 B14R1.621 CCNC(=O)CN(C)Cc1cccs1 270004a_100000741943_100000209959 [0,1,0,0,0,1|1,1,0]=4 4922 B14R1.621 CCNC(=O)CN(C)Cc1cnco1 270004a_100000741943_100000064291 [0,1,0,0,0,1|2,0,0]=4 4923 B14R1.621 CCNC(=O)CN(C)Cc1ncco1 2230a_100000741943_103436540062 [0,1,0,0,0,1|2,0,0]=4 4924 B14R1.621 CCNC(=O)CN(C)Cc1ncco1 269982a_100000741943_103436540062 [0,1,0,0,0,1|2,0,0]=4 4925 B14R1.621 CCNC(=O)CN(C)Cc1ncco1 270004a_100000741943_100000064290 [0,1,0,0,0,1|2,0,0]=4 4926 B14R1.621 CCNC(=O)NC(C)Cc1cccs1 2708a_100000751415_100015525214 [0,1,0,0,0,1|1,1,0]=4 4927 B14R1.621 CCNC(=O)NC(C)Cc1cccs1 2708a_100015525214_100000751415 [0,1,0,0,0,1|1,1,0]=4 4928 B14R1.621 CCNC(=O)NC(C)Cc1cccs1 273464a_100000751415_100015525214 [0,1,0,0,0,1|1,1,0]=4 4929 B14R1.621 CCNC(=O)NC(C)Cc1cccs1 512a_100000751415_100015525214 [0,1,0,0,0,1|1,1,0]=4 4930 B14R1.621 CCNC(=O)NC(C)Cc1cccs1 512a_100015525214_100000751415 [0,1,0,0,0,1|1,1,0]=4 4931 B14R1.621 CCOC(=O)CC(=O)Cc1c[nH]cn1 1458a_100000243816_100000707719 [0,1,0,0,0,1|2,0,0]=4 4932 B14R1.621 CCOC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000188475 [0,1,0,0,0,1|2,0,0]=4 4933 B14R1.621 CCOC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000188475 [0,1,0,0,0,1|1,0,0]=3 4934 B14R1.621 CCOC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000188475 [0,1,0,0,0,1|0,0,0]=2 4935 B14R1.621 CCOC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000188475 [0,1,0,0,0,1|0,1,0]=3 4936 B14R1.621 CCOC(=O)CC(=O)Cc1ccn[nH]1 1458a_100000243816_100000728653 [0,1,0,0,0,1|2,0,0]=4 4937 B14R1.621 CCOC(=O)CC(=O)Cc1ccn[nH]1 1458a_100000752941_100000188475 [0,1,0,0,0,1|2,0,0]=4 4938 B14R1.621 CCOC(=O)CC(=O)Cc1ccoc1 1458a_100000684892_100000188475 [0,1,0,0,0,1|2,0,0]=4 4939 B14R1.621 CCOC(=O)CC(=O)Cc1ccon1 1458a_100000243816_100000234950 [0,1,0,0,0,1|2,0,0]=4 4940 B14R1.621 CCOC(=O)CC(=O)Cc1ccsc1 1458a_100000184062_100000188475 [0,1,0,0,0,1|2,0,0]=4 4941 B14R1.621 CCOC(=O)CC(=O)Cc1ccsc1 1458a_100000243816_100011233845 [0,1,0,0,0,1|2,0,0]=4 4942 B14R1.621 CCOC(=O)CC(=O)Cc1cncs1 1458a_100000243816_100015185245 [0,1,0,0,0,1|1,1,0]=4 4943 B14R1.621 CCOC(=O)CC(=O)Cc1cscn1 1458a_100000243816_100000205941 [0,1,0,0,0,1|2,0,0]=4 4944 B14R1.621 CCOC(=O)CC(=O)Cc1cscn1 1458a_100011438297_100000188475 [0,1,0,0,0,1|2,0,0]=4 4945 B14R1.621 CCOC(=O)CC(=O)Cc1ncco1 1458a_100000243816_103436540062 [0,1,0,0,0,1|1,0,0]=3 4946 B14R1.621 CCOC(=O)CC(=O)Cc1nccs1 1458a_100000243816_100015184050 [0,1,0,0,0,1|1,1,0]=4 4947 B14R1.621 CCOC(=O)CC(=O)Cn1cccc1 1458a_100011196272_100000188475 [0,1,0,0,0,1|2,0,0]=4 4948 B14R1.621 CCOC(=O)CC(=O)Cn1cccn1 1458a_100000233772_100000188475 [0,1,0,0,0,1|2,0,0]=4 4949 B14R1.621 CCOC(=O)CC(C)Oc1ccsc1 7a_100000106738_100009817359 [0,1,0,0,0,1|2,0,0]=4 4950 B14R1.621 CCOC(=O)CC(C)Sc1c[nH]cn1 62a_100000756875_100009817359 [0,1,0,0,0,1|2,0,0]=4 4951 B14R1.621 CCOC(=O)CC(C)Sc1c[nH]cn1 62a_100009817359_100000756875 [0,1,0,0,0,1|2,0,0]=4 4952 B14R1.621 CCOC(=O)CC(C)Sc1cc[nH]n1 62a_100000062575_100009817359 [0,1,0,0,0,1|2,0,0]=4 4953 B14R1.621 CCOC(=O)CC(C)Sc1cc[nH]n1 62a_100009817359_100000062575 [0,1,0,0,0,1|2,0,0]=4 4954 B14R1.621 CCOC(=O)CC(C)Sc1ccco1 62a_100009814098_100009817359 [0,1,0,0,0,1|0,0,0]=2 4955 B14R1.621 CCOC(=O)CC(C)Sc1ccco1 62a_100009817359_100009814098 [0,1,0,0,0,1|0,0,0]=2 4956 B14R1.621 CCOC(=O)CC(C)Sc1cccs1 62a_100009817359_100011215356 [0,1,0,0,0,1|0,1,0]=3 4957 B14R1.621 CCOC(=O)CC(C)Sc1cccs1 62a_100011215356_100009817359 [0,1,0,0,0,1|0,1,0]=3 4958 B14R1.621 CCOC(=O)CC(C)Sc1ccoc1 62a_100009817359_100011215275 [0,1,0,0,0,1|2,0,0]=4 4959 B14R1.621 CCOC(=O)CC(C)Sc1ccoc1 62a_100011215275_100009817359 [0,1,0,0,0,1|2,0,0]=4 4960 B14R1.621 CCOC(=O)CC(C)Sc1ccon1 62a_100009817359_100009818083 [0,1,0,0,0,1|2,0,0]=4 4961 B14R1.621 CCOC(=O)CC(C)Sc1ccon1 62a_100009818083_100009817359 [0,1,0,0,0,1|2,0,0]=4 4962 B14R1.621 CCOC(=O)CC(C)Sc1ccsc1 62a_100000738268_100009817359 [0,1,0,0,0,1|2,0,0]=4 4963 B14R1.621 CCOC(=O)CC(C)Sc1ccsc1 62a_100009817359_100000738268 [0,1,0,0,0,1|2,0,0]=4 4964 B14R1.621 CCOC(=O)CC(C)Sc1ccsn1 62a_100009817359_100009818082 [0,1,0,0,0,1|2,0,0]=4 4965 B14R1.621 CCOC(=O)CC(C)Sc1ccsn1 62a_100009818082_100009817359 [0,1,0,0,0,1|2,0,0]=4 4966 B14R1.621 CCOC(=O)CC(C)Sc1cnco1 62a_100009817359_100020591547 [0,1,0,0,0,1|1,0,0]=3 4967 B14R1.621 CCOC(=O)CC(C)Sc1cnco1 62a_100020591547_100009817359 [0,1,0,0,0,1|1,0,0]=3 4968 B14R1.621 CCOC(=O)CC(C)Sc1cncs1 62a_100009817359_100011934649 [0,1,0,0,0,1|1,1,0]=4 4969 B14R1.621 CCOC(=O)CC(C)Sc1cncs1 62a_100011934649_100009817359 [0,1,0,0,0,1|1,1,0]=4 4970 B14R1.621 CCOC(=O)CC(C)Sc1cscn1 62a_100000751502_100009817359 [0,1,0,0,0,1|2,0,0]=4 4971 B14R1.621 CCOC(=O)CC(C)Sc1cscn1 62a_100009817359_100000751502 [0,1,0,0,0,1|2,0,0]=4 4972 B14R1.621 CCOC(=O)CC(C)Sc1ncc[nH]1 62a_100009817359_100025796157 [0,1,0,0,0,1|2,0,0]=4 4973 B14R1.621 CCOC(=O)CC(C)Sc1ncc[nH]1 62a_100025796157_100009817359 [0,1,0,0,0,1|2,0,0]=4 4974 B14R1.621 CCOC(=O)CC(C)Sc1ncco1 62a_100009817359_100011787736 [0,1,0,0,0,1|1,0,0]=3 4975 B14R1.621 CCOC(=O)CC(C)Sc1ncco1 62a_100011787736_100009817359 [0,1,0,0,0,1|1,0,0]=3 4976 B14R1.621 CCOC(=O)CC(C)Sc1nccs1 62a_100000211983_100009817359 [0,1,0,0,0,1|1,1,0]=4 4977 B14R1.621 CCOC(=O)CC(C)Sc1nccs1 62a_100009817359_100000211983 [0,1,0,0,0,1|1,1,0]=4 4978 B14R1.621 CCOC(=O)CN(C)Cc1c[nH]cn1 2230a_100000220588_100000707719 [0,1,0,0,0,1|2,0,0]=4 4979 B14R1.621 CCOC(=O)CN(C)Cc1cc[nH]n1 270004a_100000220588_100000738523 [0,1,0,0,0,1|2,0,0]=4 4980 B14R1.621 CCOC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000188475 [0,1,0,0,0,1|0,0,0]=2 4981 B14R1.621 CCOC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000188475 [0,1,0,0,0,1|0,0,0]=2 4982 B14R1.621 CCOC(=O)CN(C)Cc1ccco1 270004a_100000220588_100000186105 [0,1,0,0,0,1|0,0,0]=2 4983 B14R1.621 CCOC(=O)CN(C)Cc1cccs1 2230a_100000184426_100000188475 [0,1,0,0,0,1|0,1,0]=3 4984 B14R1.621 CCOC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000188475 [0,1,0,0,0,1|0,1,0]=3 4985 B14R1.621 CCOC(=O)CN(C)Cc1cccs1 270004a_100000220588_100000209959 [0,1,0,0,0,1|0,1,0]=3 4986 B14R1.621 CCOC(=O)CN(C)Cc1ccn[nH]1 2230a_100000220588_100000728653 [0,1,0,0,0,1|2,0,0]=4 4987 B14R1.621 CCOC(=O)CN(C)Cc1ccoc1 270004a_100000220588_100011215517 [0,1,0,0,0,1|2,0,0]=4 4988 B14R1.621 CCOC(=O)CN(C)Cc1ccon1 2230a_100000220588_100000234950 [0,1,0,0,0,1|2,0,0]=4 4989 B14R1.621 CCOC(=O)CN(C)Cc1ccon1 2230a_100000757864_100000188475 [0,1,0,0,0,1|2,0,0]=4 4990 B14R1.621 CCOC(=O)CN(C)Cc1ccon1 269982a_100000757864_100000188475 [0,1,0,0,0,1|2,0,0]=4 4991 B14R1.621 CCOC(=O)CN(C)Cc1ccsc1 2230a_100000220588_100011261437 [0,1,0,0,0,1|2,0,0]=4 4992 B14R1.621 CCOC(=O)CN(C)Cc1ccsc1 2230a_100020654213_100000188475 [0,1,0,0,0,1|2,0,0]=4 4993 B14R1.621 CCOC(=O)CN(C)Cc1ccsc1 269982a_100020654213_100000188475 [0,1,0,0,0,1|2,0,0]=4 4994 B14R1.621 CCOC(=O)CN(C)Cc1ccsc1 270004a_100000220588_100000188534 [0,1,0,0,0,1|2,0,0]=4 4995 B14R1.621 CCOC(=O)CN(C)Cc1cnco1 270004a_100000220588_100000064291 [0,1,0,0,0,1|1,0,0]=3 4996 B14R1.621 CCOC(=O)CN(C)Cc1cncs1 2230a_100000220588_100015185245 [0,1,0,0,0,1|1,1,0]=4 4997 B14R1.621 CCOC(=O)CN(C)Cc1cncs1 270004a_100000220588_100000749870 [0,1,0,0,0,1|1,1,0]=4 4998 B14R1.621 CCOC(=O)CN(C)Cc1cocn1 270004a_100000220588_100000050382 [0,1,0,0,0,1|2,0,0]=4 4999 B14R1.621 CCOC(=O)CN(C)Cc1cscn1 2230a_100000220588_100000205941 [0,1,0,0,0,1|2,0,0]=4 5000 B14R1.621 CCOC(=O)CN(C)Cc1cscn1 2230a_100000225794_100000188475 [0,1,0,0,0,1|2,0,0]=4 5001 B14R1.621 CCOC(=O)CN(C)Cc1cscn1 269982a_100000225794_100000188475 [0,1,0,0,0,1|2,0,0]=4 5002 B14R1.621 CCOC(=O)CN(C)Cc1cscn1 270004a_100000220588_100000743575 [0,1,0,0,0,1|2,0,0]=4 5003 B14R1.621 CCOC(=O)CN(C)Cc1ncc[nH]1 2230a_100000220588_100016991755 [0,1,0,0,0,1|2,0,0]=4 5004 B14R1.621 CCOC(=O)CN(C)Cc1ncc[nH]1 2230a_100015184136_100000188475 [0,1,0,0,0,1|2,0,0]=4 5005 B14R1.621 CCOC(=O)CN(C)Cc1ncc[nH]1 269982a_100015184136_100000188475 [0,1,0,0,0,1|2,0,0]=4 5006 B14R1.621 CCOC(=O)CN(C)Cc1ncco1 2230a_100000220588_103436540062 [0,1,0,0,0,1|1,0,0]=3 5007 B14R1.621 CCOC(=O)CN(C)Cc1ncco1 270004a_100000220588_100000064290 [0,1,0,0,0,1|1,0,0]=3 5008 B14R1.621 CCOC(=O)CN(C)Cc1nccs1 2230a_100000220588_100015184050 [0,1,0,0,0,1|1,1,0]=4 5009 B14R1.621 CCOC(=O)CN(C)Cc1nccs1 2230a_100000765864_100000188475 [0,1,0,0,0,1|1,1,0]=4 5010 B14R1.621 CCOC(=O)CN(C)Cc1nccs1 269982a_100000765864_100000188475 [0,1,0,0,0,1|1,1,0]=4 5011 B14R1.621 CCOC(=O)CN(C)Cc1nccs1 270004a_100000220588_100000750902 [0,1,0,0,0,1|1,1,0]=4 5012 B14R1.621 CCOC(=O)OC(C)Sc1ccco1 62a_100000036008_100009814098 [0,1,0,0,0,1|1,0,0]=3 5013 B14R1.621 CCOC(=O)OC(C)Sc1ccco1 62a_100009814098_100000036008 [0,1,0,0,0,1|1,0,0]=3 5014 B14R1.621 CCOC(=O)OC(C)Sc1cccs1 62a_100000036008_100011215356 [0,1,0,0,0,1|1,1,0]=4 5015 B14R1.621 CCOC(=O)OC(C)Sc1cccs1 62a_100011215356_100000036008 [0,1,0,0,0,1|1,1,0]=4 5016 B14R1.621 CCOC(=O)OC(C)Sc1cnco1 62a_100000036008_100020591547 [0,1,0,0,0,1|2,0,0]=4 5017 B14R1.621 CCOC(=O)OC(C)Sc1cnco1 62a_100020591547_100000036008 [0,1,0,0,0,1|2,0,0]=4 5018 B14R1.621 CCOC(=O)OC(C)Sc1ncco1 62a_100000036008_100011787736 [0,1,0,0,0,1|2,0,0]=4 5019 B14R1.621 CCOC(=O)OC(C)Sc1ncco1 62a_100011787736_100000036008 [0,1,0,0,0,1|2,0,0]=4 5020 B14R1.621 CN(CC(=O)NCO)Cc1ccco1 2230a_100000185268_100000185155 [0,1,0,0,0,1|2,0,0]=4 5021 B14R1.621 CN(CC(=O)NCO)Cc1ccco1 269982a_100000185268_100000185155 [0,1,0,0,0,1|2,0,0]=4 5022 B14R1.621 O=C(CC(=O)NCO)Cc1ccco1 1458a_100011217309_100000185155 [0,1,0,0,0,1|2,0,0]=4 5023 B14R1.633 C=C(CSc1ccco1)C(=O)OCC 62a_100000755967_100009814098 [0,1,0,0,0,1|0,0,1]=3 5024 B14R1.633 C=C(CSc1ccco1)C(=O)OCC 62a_100009814098_100000755967 [0,1,0,0,0,1|0,0,1]=3 5025 B14R1.633 C=C(CSc1cccs1)C(=O)OCC 62a_100000755967_100011215356 [0,1,0,0,0,1|0,1,1]=4 5026 B14R1.633 C=C(CSc1cccs1)C(=O)OCC 62a_100011215356_100000755967 [0,1,0,0,0,1|0,1,1]=4 5027 B14R1.633 C=C(CSc1cnco1)C(=O)OCC 62a_100000755967_100020591547 [0,1,0,0,0,1|1,0,1]=4 5028 B14R1.633 C=C(CSc1cnco1)C(=O)OCC 62a_100020591547_100000755967 [0,1,0,0,0,1|1,0,1]=4 5029 B14R1.633 C=C(CSc1ncco1)C(=O)OCC 62a_100000755967_100011787736 [0,1,0,0,0,1|1,0,1]=4 5030 B14R1.633 C=C(CSc1ncco1)C(=O)OCC 62a_100011787736_100000755967 [0,1,0,0,0,1|1,0,1]=4 5031 B14R1.633 CCNC(=O)C(=O)CCc1cccs1 1458a_200011297158_100000748579 [0,1,0,0,0,1|1,1,0]=4 5032 B14R1.633 CCNC(=O)C(=O)NCc1ccco1 1626a_100000185738_200011297158 [0,1,0,0,0,1|1,0,1]=4 5033 B14R1.633 CCNC(=O)C(=O)NCc1ccco1 240690a_100000185738_200011297158 [0,1,0,0,0,1|1,0,1]=4 5034 B14R1.633 CCNC(=O)C(=O)NCc1ccco1 527a_100000185738_200011297158 [0,1,0,0,0,1|1,0,1]=4 5035 B14R1.633 CCNC(=O)C(C)NCc1ccco1 2230a_100000185738_100000230173 [0,1,0,0,0,1|1,0,0]=3 5036 B14R1.633 CCNC(=O)C(C)NCc1ccco1 270004a_100000736553_100000186105 [0,1,0,0,0,1|1,0,0]=3 5037 B14R1.633 CCNC(=O)C(C)NCc1ccco1 34a_100000185738_100000230173 [0,1,0,0,0,1|1,0,0]=3 5038 B14R1.633 CCNC(=O)C(C)NCc1cccs1 2230a_100000211653_100000230173 [0,1,0,0,0,1|1,1,0]=4 5039 B14R1.633 CCNC(=O)C(C)NCc1cccs1 270004a_100000736553_100000209959 [0,1,0,0,0,1|1,1,0]=4 5040 B14R1.633 CCNC(=O)C(C)NCc1cnco1 270004a_100000736553_100000064291 [0,1,0,0,0,1|2,0,0]=4 5041 B14R1.633 CCNC(=O)C(C)NCc1ncco1 2230a_100000736553_103436540062 [0,1,0,0,0,1|2,0,0]=4 5042 B14R1.633 CCNC(=O)C(C)NCc1ncco1 2230a_100016994969_100000230173 [0,1,0,0,0,1|2,0,0]=4 5043 B14R1.633 CCNC(=O)C(C)NCc1ncco1 270004a_100000736553_100000064290 [0,1,0,0,0,1|2,0,0]=4 5044 B14R1.633 CCNC(=O)C(C)NCc1ncco1 34a_100000736553_103436540062 [0,1,0,0,0,1|2,0,0]=4 5045 B14R1.633 CCNC(=O)C(C)OCc1ccco1 34a_100000210059_100000230173 [0,1,0,0,0,1|1,0,0]=3 5046 B14R1.633 CCNC(=O)C(C)OCc1cccs1 34a_100000211240_100000230173 [0,1,0,0,0,1|1,1,0]=4 5047 B14R1.633 CCNC(=O)C(C)OCc1ccno1 34a_100000740478_100000230173 [0,1,0,0,0,1|2,0,0]=4 5048 B14R1.633 CCNC(=O)C(C)OCc1ncco1 34a_100000062594_100000230173 [0,1,0,0,0,1|2,0,0]=4 5049 B14R1.633 CCNC(=O)C(C)SCc1ncco1 62a_100000230173_103436540062 [0,1,0,0,0,1|2,0,0]=4 5050 B14R1.633 CCNC(=O)C(C)SCc1ncco1 62a_103436540062_100000230173 [0,1,0,0,0,1|2,0,0]=4 5051 B14R1.633 CCOC(=O)C(=O)CSc1ccco1 62a_100000211299_100009814098 [0,1,0,0,0,1|0,0,1]=3 5052 B14R1.633 CCOC(=O)C(=O)CSc1ccco1 62a_100009814098_100000211299 [0,1,0,0,0,1|0,0,1]=3 5053 B14R1.633 CCOC(=O)C(=O)CSc1cccs1 62a_100000211299_100011215356 [0,1,0,0,0,1|0,1,1]=4 5054 B14R1.633 CCOC(=O)C(=O)CSc1cccs1 62a_100011215356_100000211299 [0,1,0,0,0,1|0,1,1]=4 5055 B14R1.633 CCOC(=O)C(=O)CSc1cnco1 62a_100000211299_100020591547 [0,1,0,0,0,1|1,0,1]=4 5056 B14R1.633 CCOC(=O)C(=O)CSc1cnco1 62a_100020591547_100000211299 [0,1,0,0,0,1|1,0,1]=4 5057 B14R1.633 CCOC(=O)C(=O)CSc1ncco1 62a_100000211299_100011787736 [0,1,0,0,0,1|1,0,1]=4 5058 B14R1.633 CCOC(=O)C(=O)CSc1ncco1 62a_100011787736_100000211299 [0,1,0,0,0,1|1,0,1]=4 5059 B14R1.633 CCOC(=O)C(=O)NCc1ccc[nH]1 11a_100000764082_100014798877 [0,1,0,0,0,1|1,0,1]=4 5060 B14R1.633 CCOC(=O)C(=O)NCc1ccc[nH]1 240690a_100000764082_100014798877 [0,1,0,0,0,1|1,0,1]=4 5061 B14R1.633 CCOC(=O)C(=O)NCc1ccco1 11a_100000185738_100014798877 [0,1,0,0,0,1|0,0,1]=3 5062 B14R1.633 CCOC(=O)C(=O)NCc1ccco1 1626a_100000185738_100014798877 [0,1,0,0,0,1|0,0,1]=3 5063 B14R1.633 CCOC(=O)C(=O)NCc1ccco1 240690a_100000185738_100014798877 [0,1,0,0,0,1|0,0,1]=3 5064 B14R1.633 CCOC(=O)C(=O)NCc1cccs1 11a_100000211653_100014798877 [0,1,0,0,0,1|0,1,1]=4 5065 B14R1.633 CCOC(=O)C(=O)NCc1cccs1 1626a_100000211653_100014798877 [0,1,0,0,0,1|0,1,1]=4 5066 B14R1.633 CCOC(=O)C(=O)NCc1cccs1 240690a_100000211653_100014798877 [0,1,0,0,0,1|0,1,1]=4 5067 B14R1.633 CCOC(=O)C(=O)NCc1cnco1 11a_100020634212_100014798877 [0,1,0,0,0,1|1,0,1]=4 5068 B14R1.633 CCOC(=O)C(=O)NCc1cnco1 240690a_100020634212_100014798877 [0,1,0,0,0,1|1,0,1]=4 5069 B14R1.633 CCOC(=O)C(=O)NCc1ncco1 11a_100016994969_100014798877 [0,1,0,0,0,1|1,0,1]=4 5070 B14R1.633 CCOC(=O)C(=O)NCc1ncco1 1626a_100016994969_100014798877 [0,1,0,0,0,1|1,0,1]=4 5071 B14R1.633 CCOC(=O)C(=O)NCc1ncco1 240690a_100016994969_100014798877 [0,1,0,0,0,1|1,0,1]=4 5072 B14R1.633 CCOC(=O)C(C)NCc1ccco1 2230a_100000185738_100011215307 [0,1,0,0,0,1|0,0,0]=2 5073 B14R1.633 CCOC(=O)C(C)NCc1ccco1 34a_100000185738_100011216346 [0,1,0,0,0,1|0,0,0]=2 5074 B14R1.633 CCOC(=O)C(C)NCc1cccs1 2230a_100000211653_100011215307 [0,1,0,0,0,1|0,1,0]=3 5075 B14R1.633 CCOC(=O)C(C)NCc1ccoc1 2230a_100015206860_100011215307 [0,1,0,0,0,1|2,0,0]=4 5076 B14R1.633 CCOC(=O)C(C)NCc1ccoc1 34a_100015206860_100011216346 [0,1,0,0,0,1|2,0,0]=4 5077 B14R1.633 CCOC(=O)C(C)NCc1ccsc1 2230a_100000186416_100011215307 [0,1,0,0,0,1|2,0,0]=4 5078 B14R1.633 CCOC(=O)C(C)NCc1ccsc1 34a_100000186416_100011216346 [0,1,0,0,0,1|2,0,0]=4 5079 B14R1.633 CCOC(=O)C(C)NCc1cncs1 2230a_100016987365_100011215307 [0,1,0,0,0,1|1,1,0]=4 5080 B14R1.633 CCOC(=O)C(C)NCc1cscn1 2230a_100015185402_100011215307 [0,1,0,0,0,1|2,0,0]=4 5081 B14R1.633 CCOC(=O)C(C)NCc1ncco1 2230a_100016994969_100011215307 [0,1,0,0,0,1|1,0,0]=3 5082 B14R1.633 CCOC(=O)C(C)NCc1nccs1 2230a_100000740555_100011215307 [0,1,0,0,0,1|1,1,0]=4 5083 B14R1.633 CCOC(=O)C(C)OCc1ccco1 34a_100000210059_100011216346 [0,1,0,0,0,1|0,0,0]=2 5084 B14R1.633 CCOC(=O)C(C)OCc1cccs1 34a_100000211240_100011216346 [0,1,0,0,0,1|0,1,0]=3 5085 B14R1.633 CCOC(=O)C(C)OCc1ccno1 34a_100000740478_100011216346 [0,1,0,0,0,1|1,0,0]=3 5086 B14R1.633 CCOC(=O)C(C)OCc1ccoc1 34a_100011215357_100011216346 [0,1,0,0,0,1|2,0,0]=4 5087 B14R1.633 CCOC(=O)C(C)OCc1ccsc1 34a_100011215551_100011216346 [0,1,0,0,0,1|2,0,0]=4 5088 B14R1.633 CCOC(=O)C(C)OCc1ncco1 34a_100000062594_100011216346 [0,1,0,0,0,1|1,0,0]=3 5089 B14R1.633 CCOC(=O)C(C)OCn1cccn1 34a_100000731028_100011216346 [0,1,0,0,0,1|2,0,0]=4 5090 B14R1.633 CCOC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100011216346 [0,1,0,0,0,1|2,0,0]=4 5091 B14R1.633 CCOC(=O)C(C)SCc1c[nH]cn1 62a_100011216346_100000707719 [0,1,0,0,0,1|2,0,0]=4 5092 B14R1.633 CCOC(=O)C(C)SCc1ccn[nH]1 62a_100000728653_100011216346 [0,1,0,0,0,1|2,0,0]=4 5093 B14R1.633 CCOC(=O)C(C)SCc1ccn[nH]1 62a_100011216346_100000728653 [0,1,0,0,0,1|2,0,0]=4 5094 B14R1.633 CCOC(=O)C(C)SCc1ccon1 62a_100000234950_100011216346 [0,1,0,0,0,1|2,0,0]=4 5095 B14R1.633 CCOC(=O)C(C)SCc1ccon1 62a_100011216346_100000234950 [0,1,0,0,0,1|2,0,0]=4 5096 B14R1.633 CCOC(=O)C(C)SCc1ccsc1 62a_100011216346_100011233845 [0,1,0,0,0,1|2,0,0]=4 5097 B14R1.633 CCOC(=O)C(C)SCc1ccsc1 62a_100011261437_100011216346 [0,1,0,0,0,1|2,0,0]=4 5098 B14R1.633 CCOC(=O)C(C)SCc1cncs1 62a_100011216346_100015185245 [0,1,0,0,0,1|1,1,0]=4 5099 B14R1.633 CCOC(=O)C(C)SCc1cncs1 62a_100015185245_100011216346 [0,1,0,0,0,1|1,1,0]=4 5100 B14R1.633 CCOC(=O)C(C)SCc1cscn1 62a_100000205941_100011216346 [0,1,0,0,0,1|2,0,0]=4 5101 B14R1.633 CCOC(=O)C(C)SCc1cscn1 62a_100011216346_100000205941 [0,1,0,0,0,1|2,0,0]=4 5102 B14R1.633 CCOC(=O)C(C)SCc1ncc[nH]1 62a_100011216346_100016991755 [0,1,0,0,0,1|2,0,0]=4 5103 B14R1.633 CCOC(=O)C(C)SCc1ncc[nH]1 62a_100016991755_100011216346 [0,1,0,0,0,1|2,0,0]=4 5104 B14R1.633 CCOC(=O)C(C)SCc1ncco1 62a_100011216346_103436540062 [0,1,0,0,0,1|1,0,0]=3 5105 B14R1.633 CCOC(=O)C(C)SCc1ncco1 62a_103436540062_100011216346 [0,1,0,0,0,1|1,0,0]=3 5106 B14R1.633 CCOC(=O)C(C)SCc1nccs1 62a_100011216346_100015184050 [0,1,0,0,0,1|1,1,0]=4 5107 B14R1.633 CCOC(=O)C(C)SCc1nccs1 62a_100015184050_100011216346 [0,1,0,0,0,1|1,1,0]=4 5108 B14R1.633 CCOC(=O)C(F)NCc1ccco1 2230a_100000185738_100000760018 [0,1,0,0,0,1|0,0,0]=2 5109 B14R1.633 CCOC(=O)C(F)NCc1ccco1 34a_100000185738_100000760018 [0,1,0,0,0,1|0,0,0]=2 5110 B14R1.633 CCOC(=O)C(F)NCc1cccs1 2230a_100000211653_100000760018 [0,1,0,0,0,1|0,1,0]=3 5111 B14R1.633 CCOC(=O)C(F)NCc1ccoc1 2230a_100015206860_100000760018 [0,1,0,0,0,1|2,0,0]=4 5112 B14R1.633 CCOC(=O)C(F)NCc1ccoc1 34a_100015206860_100000760018 [0,1,0,0,0,1|2,0,0]=4 5113 B14R1.633 CCOC(=O)C(F)NCc1ccsc1 2230a_100000186416_100000760018 [0,1,0,0,0,1|2,0,0]=4 5114 B14R1.633 CCOC(=O)C(F)NCc1ccsc1 34a_100000186416_100000760018 [0,1,0,0,0,1|2,0,0]=4 5115 B14R1.633 CCOC(=O)C(F)NCc1cncs1 2230a_100016987365_100000760018 [0,1,0,0,0,1|1,1,0]=4 5116 B14R1.633 CCOC(=O)C(F)NCc1cscn1 2230a_100015185402_100000760018 [0,1,0,0,0,1|2,0,0]=4 5117 B14R1.633 CCOC(=O)C(F)NCc1ncco1 2230a_100016994969_100000760018 [0,1,0,0,0,1|1,0,0]=3 5118 B14R1.633 CCOC(=O)C(F)NCc1nccs1 2230a_100000740555_100000760018 [0,1,0,0,0,1|1,1,0]=4 5119 B14R1.633 CCOC(=O)C(F)OCc1ccco1 34a_100000210059_100000760018 [0,1,0,0,0,1|0,0,0]=2 5120 B14R1.633 CCOC(=O)C(F)OCc1cccs1 34a_100000211240_100000760018 [0,1,0,0,0,1|0,1,0]=3 5121 B14R1.633 CCOC(=O)C(F)OCc1ccno1 34a_100000740478_100000760018 [0,1,0,0,0,1|1,0,0]=3 5122 B14R1.633 CCOC(=O)C(F)OCc1ccoc1 34a_100011215357_100000760018 [0,1,0,0,0,1|2,0,0]=4 5123 B14R1.633 CCOC(=O)C(F)OCc1ccsc1 34a_100011215551_100000760018 [0,1,0,0,0,1|2,0,0]=4 5124 B14R1.633 CCOC(=O)C(F)OCc1ncco1 34a_100000062594_100000760018 [0,1,0,0,0,1|1,0,0]=3 5125 B14R1.633 CCOC(=O)C(F)OCn1cccn1 34a_100000731028_100000760018 [0,1,0,0,0,1|2,0,0]=4 5126 B14R1.633 CCOC(=O)C(F)SCc1c[nH]cn1 62a_100000707719_100000760018 [0,1,0,0,0,1|2,0,0]=4 5127 B14R1.633 CCOC(=O)C(F)SCc1c[nH]cn1 62a_100000760018_100000707719 [0,1,0,0,0,1|2,0,0]=4 5128 B14R1.633 CCOC(=O)C(F)SCc1ccn[nH]1 62a_100000728653_100000760018 [0,1,0,0,0,1|2,0,0]=4 5129 B14R1.633 CCOC(=O)C(F)SCc1ccn[nH]1 62a_100000760018_100000728653 [0,1,0,0,0,1|2,0,0]=4 5130 B14R1.633 CCOC(=O)C(F)SCc1ccon1 62a_100000234950_100000760018 [0,1,0,0,0,1|2,0,0]=4 5131 B14R1.633 CCOC(=O)C(F)SCc1ccon1 62a_100000760018_100000234950 [0,1,0,0,0,1|2,0,0]=4 5132 B14R1.633 CCOC(=O)C(F)SCc1ccsc1 62a_100000760018_100011233845 [0,1,0,0,0,1|2,0,0]=4 5133 B14R1.633 CCOC(=O)C(F)SCc1ccsc1 62a_100011261437_100000760018 [0,1,0,0,0,1|2,0,0]=4 5134 B14R1.633 CCOC(=O)C(F)SCc1cncs1 62a_100000760018_100015185245 [0,1,0,0,0,1|1,1,0]=4 5135 B14R1.633 CCOC(=O)C(F)SCc1cncs1 62a_100015185245_100000760018 [0,1,0,0,0,1|1,1,0]=4 5136 B14R1.633 CCOC(=O)C(F)SCc1cscn1 62a_100000205941_100000760018 [0,1,0,0,0,1|2,0,0]=4 5137 B14R1.633 CCOC(=O)C(F)SCc1cscn1 62a_100000760018_100000205941 [0,1,0,0,0,1|2,0,0]=4 5138 B14R1.633 CCOC(=O)C(F)SCc1ncc[nH]1 62a_100000760018_100016991755 [0,1,0,0,0,1|2,0,0]=4 5139 B14R1.633 CCOC(=O)C(F)SCc1ncc[nH]1 62a_100016991755_100000760018 [0,1,0,0,0,1|2,0,0]=4 5140 B14R1.633 CCOC(=O)C(F)SCc1ncco1 62a_100000760018_103436540062 [0,1,0,0,0,1|1,0,0]=3 5141 B14R1.633 CCOC(=O)C(F)SCc1ncco1 62a_103436540062_100000760018 [0,1,0,0,0,1|1,0,0]=3 5142 B14R1.633 CCOC(=O)C(F)SCc1nccs1 62a_100000760018_100015184050 [0,1,0,0,0,1|1,1,0]=4 5143 B14R1.633 CCOC(=O)C(F)SCc1nccs1 62a_100015184050_100000760018 [0,1,0,0,0,1|1,1,0]=4 5144 B14R1.633 CCOC(=O)[C@H](C)OCc1ccn[nH]1 7a_100000751109_100000728653 [0,1,0,0,0,1|2,0,0]=4 5145 B14R1.633 CCOC(=O)[C@H](C)OCc1ccon1 7a_100000751109_100000234950 [0,1,0,0,0,1|2,0,0]=4 5146 B14R1.633 CCOC(=O)[C@H](C)OCc1ccsc1 7a_100000751109_100011261437 [0,1,0,0,0,1|2,0,0]=4 5147 B14R1.633 CCOC(=O)[C@H](C)OCc1cncs1 7a_100000751109_100015185245 [0,1,0,0,0,1|1,1,0]=4 5148 B14R1.633 CCOC(=O)[C@H](C)OCc1cscn1 7a_100000751109_100000205941 [0,1,0,0,0,1|2,0,0]=4 5149 B14R1.633 CCOC(=O)[C@H](C)OCc1ncc[nH]1 7a_100000751109_100000753453 [0,1,0,0,0,1|2,0,0]=4 5150 B14R1.633 CCOC(=O)[C@H](C)OCc1ncco1 7a_100000751109_103436540062 [0,1,0,0,0,1|1,0,0]=3 5151 B14R1.633 CCOC(=O)[C@H](C)OCc1nccs1 7a_100000751109_100015184050 [0,1,0,0,0,1|1,1,0]=4 5152 B14R1.633 CCSC(=O)[C@H](C)NCc1ncco1 2230a_100103168634_103436540062 [0,1,0,0,0,1|1,1,0]=4 5153 B14R1.948 C=COC(=O)COCc1occc1C 34a_100011273948_100000036128 [0,1,0,0,0,1|0,0,2]=4 5154 B14R1.948 CCCC(=O)CNCc1sccc1C 2230a_100000238519_100000747444 [0,1,0,0,0,1|1,1,0]=4 5155 B14R1.948 CCCC(=O)CNCc1sccc1Cl 2230a_100011934584_100000747444 [0,1,0,0,0,1|1,1,0]=4 5156 B14R1.948 CCCC(=O)COCc1occc1C 7a_100011273948_100000747444 [0,1,0,0,0,1|1,0,0]=3 5157 B14R1.948 CCCC(=O)COCc1ocnc1C 7a_100000717716_100000747444 [0,1,0,0,0,1|2,0,0]=4 5158 B14R1.948 CCCC(=O)COCc1sccc1C 7a_100000238368_100000747444 [0,1,0,0,0,1|1,1,0]=4 5159 B14R1.948 CCCC(=O)COCc1sccc1Cl 7a_100000722387_100000747444 [0,1,0,0,0,1|1,1,0]=4 5160 B14R1.948 CCCC(=O)NCCc1cccn1C 11a_100011251756_100000211992 [0,1,0,0,0,1|2,0,0]=4 5161 B14R1.948 CCCC(=O)NCCc1cccn1C 1626a_100011251756_100000211992 [0,1,0,0,0,1|2,0,0]=4 5162 B14R1.948 CCCC(=O)NCCc1cccn1C 240690a_100011251756_100000211992 [0,1,0,0,0,1|2,0,0]=4 5163 B14R1.948 CCCC(=O)NCCc1cccn1C 527a_100011251756_100000211992 [0,1,0,0,0,1|2,0,0]=4 5164 B14R1.948 CCNC(=O)CCSc1sccc1Br 62a_100000737597_100012361411 [0,1,0,0,0,1|1,1,0]=4 5165 B14R1.948 CCNC(=O)CCSc1sccc1Br 62a_100012361411_100000737597 [0,1,0,0,0,1|1,1,0]=4 5166 B14R1.948 CCNC(=O)CCSc1sccc1C 62a_100000737597_100010247149 [0,1,0,0,0,1|1,1,0]=4 5167 B14R1.948 CCNC(=O)CCSc1sccc1C 62a_100010247149_100000737597 [0,1,0,0,0,1|1,1,0]=4 5168 B14R1.948 CCNC(=O)CNCc1cccn1C 270004a_100016988866_100000211633 [0,1,0,0,0,1|2,0,0]=4 5169 B14R1.948 CCNC(=O)CNCc1cccn1C 34a_100011219357_100000183381 [0,1,0,0,0,1|2,0,0]=4 5170 B14R1.948 CCNC(=O)CNCc1occc1Br 270004a_100016988866_100000756499 [0,1,0,0,0,1|1,0,0]=3 5171 B14R1.948 CCNC(=O)CNCc1occc1C 270004a_100016988866_100000763527 [0,1,0,0,0,1|1,0,0]=3 5172 B14R1.948 CCNC(=O)CNCc1sccc1Br 270004a_100016988866_100000766043 [0,1,0,0,0,1|1,1,0]=4 5173 B14R1.948 CCNC(=O)CNCc1sccc1C 2230a_100000238519_100000183381 [0,1,0,0,0,1|1,1,0]=4 5174 B14R1.948 CCNC(=O)CNCc1sccc1C 270004a_100016988866_100000210881 [0,1,0,0,0,1|1,1,0]=4 5175 B14R1.948 CCNC(=O)CNCc1sccc1C 34a_100000238519_100000183381 [0,1,0,0,0,1|1,1,0]=4 5176 B14R1.948 CCNC(=O)CNCc1sccc1Cl 2230a_100011934584_100000183381 [0,1,0,0,0,1|1,1,0]=4 5177 B14R1.948 CCNC(=O)CNCc1sccc1Cl 270004a_100016988866_100000722334 [0,1,0,0,0,1|1,1,0]=4 5178 B14R1.948 CCNC(=O)CNCc1sccc1Cl 34a_100011934584_100000183381 [0,1,0,0,0,1|1,1,0]=4 5179 B14R1.948 CCNC(=O)COCc1occc1C 34a_100011273948_100000183381 [0,1,0,0,0,1|1,0,0]=3 5180 B14R1.948 CCNC(=O)COCc1occc1C 7a_100011273948_100000183381 [0,1,0,0,0,1|1,0,0]=3 5181 B14R1.948 CCNC(=O)COCc1ocnc1C 34a_100000717716_100000183381 [0,1,0,0,0,1|2,0,0]=4 5182 B14R1.948 CCNC(=O)COCc1ocnc1C 7a_100000717716_100000183381 [0,1,0,0,0,1|2,0,0]=4 5183 B14R1.948 CCNC(=O)COCc1oncc1C 34a_200011065769_100000183381 [0,1,0,0,0,1|2,0,0]=4 5184 B14R1.948 CCNC(=O)COCc1sccc1Br 34a_100000702026_100000183381 [0,1,0,0,0,1|1,1,0]=4 5185 B14R1.948 CCNC(=O)COCc1sccc1C 34a_100000238368_100000183381 [0,1,0,0,0,1|1,1,0]=4 5186 B14R1.948 CCNC(=O)COCc1sccc1C 7a_100000238368_100000183381 [0,1,0,0,0,1|1,1,0]=4 5187 B14R1.948 CCNC(=O)COCc1sccc1Cl 34a_100000722387_100000183381 [0,1,0,0,0,1|1,1,0]=4 5188 B14R1.948 CCNC(=O)COCc1sccc1Cl 7a_100000722387_100000183381 [0,1,0,0,0,1|1,1,0]=4 5189 B14R1.948 CCNC(=O)NCCc1cccn1C 2708a_100011251756_100015525214 [0,1,0,0,0,1|2,0,0]=4 5190 B14R1.948 CCNC(=O)NCCc1cccn1C 2708a_100015525214_100011251756 [0,1,0,0,0,1|2,0,0]=4 5191 B14R1.948 CCNC(=O)NCCc1cccn1C 273464a_100011251756_100015525214 [0,1,0,0,0,1|2,0,0]=4 5192 B14R1.948 CCNC(=O)NCCc1cccn1C 273464a_100015525214_100011251756 [0,1,0,0,0,1|2,0,0]=4 5193 B14R1.948 CCNC(=O)NCCc1cccn1C 512a_100011251756_100015525214 [0,1,0,0,0,1|2,0,0]=4 5194 B14R1.948 CCNC(=O)NCCc1cccn1C 512a_100015525214_100011251756 [0,1,0,0,0,1|2,0,0]=4 5195 B14R1.948 CCOC(=O)CCOc1ccnn1C 34a_100020632926_100000765890 [0,1,0,0,0,1|2,0,0]=4 5196 B14R1.948 CCOC(=O)CCSc1[nH]cnc1Cl 62a_100000765890_100010200774 [0,1,0,0,0,1|2,0,0]=4 5197 B14R1.948 CCOC(=O)CCSc1[nH]cnc1Cl 62a_100010200774_100000765890 [0,1,0,0,0,1|2,0,0]=4 5198 B14R1.948 CCOC(=O)CCSc1ccnn1C 62a_100000688441_100000765890 [0,1,0,0,0,1|2,0,0]=4 5199 B14R1.948 CCOC(=O)CCSc1ccnn1C 62a_100000765890_100000688441 [0,1,0,0,0,1|2,0,0]=4 5200 B14R1.948 CCOC(=O)CCSc1ccsc1C 62a_100000684487_100000765890 [0,1,0,0,0,1|2,0,0]=4 5201 B14R1.948 CCOC(=O)CCSc1ccsc1C 62a_100000765890_100000684487 [0,1,0,0,0,1|2,0,0]=4 5202 B14R1.948 CCOC(=O)CCSc1cncn1C 62a_100000765890_100009814087 [0,1,0,0,0,1|2,0,0]=4 5203 B14R1.948 CCOC(=O)CCSc1cncn1C 62a_100009814087_100000765890 [0,1,0,0,0,1|2,0,0]=4 5204 B14R1.948 CCOC(=O)CCSc1cscc1Br 62a_100000765890_100010143727 [0,1,0,0,0,1|2,0,0]=4 5205 B14R1.948 CCOC(=O)CCSc1cscc1Br 62a_100010143727_100000765890 [0,1,0,0,0,1|2,0,0]=4 5206 B14R1.948 CCOC(=O)CCSc1cscc1C 62a_100000759966_100000765890 [0,1,0,0,0,1|2,0,0]=4 5207 B14R1.948 CCOC(=O)CCSc1cscc1C 62a_100000765890_100000759966 [0,1,0,0,0,1|2,0,0]=4 5208 B14R1.948 CCOC(=O)CCSc1n[nH]cc1Br 62a_100000765890_100015839836 [0,1,0,0,0,1|2,0,0]=4 5209 B14R1.948 CCOC(=O)CCSc1n[nH]cc1Br 62a_100015839836_100000765890 [0,1,0,0,0,1|2,0,0]=4 5210 B14R1.948 CCOC(=O)CCSc1n[nH]cc1C 62a_100000765890_100009871783 [0,1,0,0,0,1|2,0,0]=4 5211 B14R1.948 CCOC(=O)CCSc1n[nH]cc1C 62a_100009871783_100000765890 [0,1,0,0,0,1|2,0,0]=4 5212 B14R1.948 CCOC(=O)CCSc1n[nH]cc1N 62a_100000765890_100010894806 [0,1,0,0,0,1|2,0,0]=4 5213 B14R1.948 CCOC(=O)CCSc1n[nH]cc1N 62a_100010894806_100000765890 [0,1,0,0,0,1|2,0,0]=4 5214 B14R1.948 CCOC(=O)CCSc1nc[nH]c1C 62a_100000765890_100010186451 [0,1,0,0,0,1|2,0,0]=4 5215 B14R1.948 CCOC(=O)CCSc1nc[nH]c1C 62a_100010186451_100000765890 [0,1,0,0,0,1|2,0,0]=4 5216 B14R1.948 CCOC(=O)CCSc1nccn1C 62a_100000707724_100000765890 [0,1,0,0,0,1|2,0,0]=4 5217 B14R1.948 CCOC(=O)CCSc1nccn1C 62a_100000765890_100000707724 [0,1,0,0,0,1|2,0,0]=4 5218 B14R1.948 CCOC(=O)CCSc1ncsc1C 62a_100000732656_100000765890 [0,1,0,0,0,1|2,0,0]=4 5219 B14R1.948 CCOC(=O)CCSc1ncsc1C 62a_100000765890_100000732656 [0,1,0,0,0,1|2,0,0]=4 5220 B14R1.948 CCOC(=O)CCSc1sccc1Br 62a_100000765890_100012361411 [0,1,0,0,0,1|0,1,0]=3 5221 B14R1.948 CCOC(=O)CCSc1sccc1Br 62a_100012361411_100000765890 [0,1,0,0,0,1|0,1,0]=3 5222 B14R1.948 CCOC(=O)CCSc1sccc1C 62a_100000765890_100010247149 [0,1,0,0,0,1|0,1,0]=3 5223 B14R1.948 CCOC(=O)CCSc1sccc1C 62a_100010247149_100000765890 [0,1,0,0,0,1|0,1,0]=3 5224 B14R1.948 CCOC(=O)CCSc1scnc1C 62a_100000765890_100009817116 [0,1,0,0,0,1|1,1,0]=4 5225 B14R1.948 CCOC(=O)CCSc1scnc1C 62a_100009817116_100000765890 [0,1,0,0,0,1|1,1,0]=4 5226 B14R1.948 CCOC(=O)CNCc1cccn1C 34a_100011219357_100000188475 [0,1,0,0,0,1|1,0,0]=3 5227 B14R1.948 CCOC(=O)CNCc1ccnn1C 34a_100025706696_100000188475 [0,1,0,0,0,1|2,0,0]=4 5228 B14R1.948 CCOC(=O)CNCc1ccsc1Br 2230a_100000727803_100000188475 [0,1,0,0,0,1|2,0,0]=4 5229 B14R1.948 CCOC(=O)CNCc1ccsc1Br 34a_100000727803_100000188475 [0,1,0,0,0,1|2,0,0]=4 5230 B14R1.948 CCOC(=O)CNCc1nccn1C 2230a_100015186572_100000188475 [0,1,0,0,0,1|2,0,0]=4 5231 B14R1.948 CCOC(=O)CNCc1sccc1C 2230a_100000238519_100000188475 [0,1,0,0,0,1|0,1,0]=3 5232 B14R1.948 CCOC(=O)CNCc1sccc1C 34a_100000238519_100000188475 [0,1,0,0,0,1|0,1,0]=3 5233 B14R1.948 CCOC(=O)CNCc1sccc1Cl 2230a_100011934584_100000188475 [0,1,0,0,0,1|0,1,0]=3 5234 B14R1.948 CCOC(=O)CNCc1sccc1Cl 34a_100011934584_100000188475 [0,1,0,0,0,1|0,1,0]=3 5235 B14R1.948 CCOC(=O)CNCc1scnc1C 2230a_100000752186_100000188475 [0,1,0,0,0,1|1,1,0]=4 5236 B14R1.948 CCOC(=O)COCc1ccnn1C 34a_100000684702_100000188475 [0,1,0,0,0,1|2,0,0]=4 5237 B14R1.948 CCOC(=O)COCc1ccoc1C 34a_100011219433_100000188475 [0,1,0,0,0,1|2,0,0]=4 5238 B14R1.948 CCOC(=O)COCc1ccoc1C 7a_100011219433_100000188475 [0,1,0,0,0,1|2,0,0]=4 5239 B14R1.948 CCOC(=O)COCc1ccsc1Br 34a_100009816922_100000188475 [0,1,0,0,0,1|2,0,0]=4 5240 B14R1.948 CCOC(=O)COCc1ccsc1Br 7a_100009816922_100000188475 [0,1,0,0,0,1|2,0,0]=4 5241 B14R1.948 CCOC(=O)COCc1cscc1Br 34a_100000724555_100000188475 [0,1,0,0,0,1|2,0,0]=4 5242 B14R1.948 CCOC(=O)COCc1nccn1C 7a_100000691215_100000188475 [0,1,0,0,0,1|2,0,0]=4 5243 B14R1.948 CCOC(=O)COCc1ncoc1C 34a_100012017639_100000188475 [0,1,0,0,0,1|2,0,0]=4 5244 B14R1.948 CCOC(=O)COCc1occc1C 34a_100011273948_100000188475 [0,1,0,0,0,1|0,0,0]=2 5245 B14R1.948 CCOC(=O)COCc1occc1C 7a_100011273948_100000188475 [0,1,0,0,0,1|0,0,0]=2 5246 B14R1.948 CCOC(=O)COCc1ocnc1C 34a_100000717716_100000188475 [0,1,0,0,0,1|1,0,0]=3 5247 B14R1.948 CCOC(=O)COCc1ocnc1C 7a_100000717716_100000188475 [0,1,0,0,0,1|1,0,0]=3 5248 B14R1.948 CCOC(=O)COCc1oncc1C 34a_200011065769_100000188475 [0,1,0,0,0,1|1,0,0]=3 5249 B14R1.948 CCOC(=O)COCc1sccc1Br 34a_100000702026_100000188475 [0,1,0,0,0,1|0,1,0]=3 5250 B14R1.948 CCOC(=O)COCc1sccc1C 34a_100000238368_100000188475 [0,1,0,0,0,1|0,1,0]=3 5251 B14R1.948 CCOC(=O)COCc1sccc1C 7a_100000238368_100000188475 [0,1,0,0,0,1|0,1,0]=3 5252 B14R1.948 CCOC(=O)COCc1sccc1Cl 34a_100000722387_100000188475 [0,1,0,0,0,1|0,1,0]=3 5253 B14R1.948 CCOC(=O)COCc1sccc1Cl 7a_100000722387_100000188475 [0,1,0,0,0,1|0,1,0]=3 5254 B14R1.948 CCOC(=O)COCc1scnc1Br 7a_100012000948_100000188475 [0,1,0,0,0,1|1,1,0]=4 5255 B14R1.948 CCOC(=O)COCc1scnc1C 34a_100000750112_100000188475 [0,1,0,0,0,1|1,1,0]=4 5256 B14R1.948 CCOC(=O)COCc1scnc1C 7a_100000750112_100000188475 [0,1,0,0,0,1|1,1,0]=4 5257 B14R1.948 CCOC(=O)CSCc1ccnn1C 62a_100000188475_100000691648 [0,1,0,0,0,1|2,0,0]=4 5258 B14R1.948 CCOC(=O)CSCc1ccnn1C 62a_100000691648_100000188475 [0,1,0,0,0,1|2,0,0]=4 5259 B14R1.948 CCOC(=O)CSCc1ccsc1Br 62a_100000188475_100009814289 [0,1,0,0,0,1|2,0,0]=4 5260 B14R1.948 CCOC(=O)CSCc1ccsc1Br 62a_100009814289_100000188475 [0,1,0,0,0,1|2,0,0]=4 5261 B14R1.948 CCOC(=O)CSCc1ccsc1Cl 62a_100000188475_100010167017 [0,1,0,0,0,1|2,0,0]=4 5262 B14R1.948 CCOC(=O)CSCc1ccsc1Cl 62a_100010167017_100000188475 [0,1,0,0,0,1|2,0,0]=4 5263 B14R1.948 CCOC(=O)CSCc1nc[nH]c1C 62a_100000188475_100000751220 [0,1,0,0,0,1|2,0,0]=4 5264 B14R1.948 CCOC(=O)CSCc1nc[nH]c1C 62a_100000751220_100000188475 [0,1,0,0,0,1|2,0,0]=4 5265 B14R1.948 CCOC(=O)CSCc1nccn1C 62a_100000188475_100000700302 [0,1,0,0,0,1|2,0,0]=4 5266 B14R1.948 CCOC(=O)CSCc1nccn1C 62a_100000700302_100000188475 [0,1,0,0,0,1|2,0,0]=4 5267 B14R1.948 CCOC(=O)CSCc1ncoc1C 62a_100000188475_200000693990 [0,1,0,0,0,1|2,0,0]=4 5268 B14R1.948 CCOC(=O)CSCc1ncoc1C 62a_200000693990_100000188475 [0,1,0,0,0,1|2,0,0]=4 5269 B14R1.948 CCOC(=O)OCSc1sccc1Br 62a_100012361411_100000075025 [0,1,0,0,0,1|1,1,0]=4 5270 B14R1.948 CCOC(=O)OCSc1sccc1C 62a_100010247149_100000075025 [0,1,0,0,0,1|1,1,0]=4 5271 B14R1.948 Cc1ccoc1COCC(=O)NCO 34a_100011273948_100000185155 [0,1,0,0,0,1|2,0,0]=4 5272 B14R1.948 Cc1ccoc1COCC(=O)NCO 7a_100011273948_100000185155 [0,1,0,0,0,1|2,0,0]=4 5273 B14R1.977 CCOC(CC)CNCc1ccco1 207a_100015183923_100000186105 [0,1,0,0,0,1|1,0,1]=4 5274 B14R1.977 CCOC(CC)CNCc1ccco1 270004a_100015183923_100000186105 [0,1,0,0,0,1|1,0,1]=4 5275 B14R1.986 C/C=C(\C)/C(=O)NCCc1ccco1 11a_100000694680_100020587367 [0,1,0,0,0,1|1,0,1]=4 5276 B14R1.986 C/C=C(\C)/C(=O)NCCc1ccco1 1626a_100000694680_100020587367 [0,1,0,0,0,1|1,0,1]=4 5277 B14R1.986 CCC(C)C(=O)CCCc1cccs1 1458a_100000184482_100000758301 [0,1,0,0,0,1|1,1,0]=4 5278 B14R1.986 CCC(C)C(=O)CCCc1cccs1 1458a_100011192722_100010992444 [0,1,0,0,0,1|1,1,0]=4 5279 B14R1.986 CCC(C)C(=O)NCCc1ccco1 11a_100000694680_100011192722 [0,1,0,0,0,1|1,0,0]=3 5280 B14R1.986 CCC(C)C(=O)NCCc1ccco1 1626a_100000694680_100011192722 [0,1,0,0,0,1|1,0,0]=3 5281 B14R1.986 CCC(C)C(=O)NCCc1ccco1 240690a_100000694680_100011192722 [0,1,0,0,0,1|1,0,0]=3 5282 B14R1.986 CCC(C)C(=O)NCCc1ccco1 527a_100000694680_100011192722 [0,1,0,0,0,1|1,0,0]=3 5283 B14R1.986 CCC(C)C(=O)NCCc1cccs1 11a_100000203755_100011192722 [0,1,0,0,0,1|1,1,0]=4 5284 B14R1.986 CCC(C)C(=O)NCCc1cccs1 1626a_100000203755_100011192722 [0,1,0,0,0,1|1,1,0]=4 5285 B14R1.986 CCC(C)C(=O)NCCc1cccs1 240690a_100000203755_100011192722 [0,1,0,0,0,1|1,1,0]=4 5286 B14R1.986 CCC(C)C(=O)NCCc1cccs1 527a_100000203755_100011192722 [0,1,0,0,0,1|1,1,0]=4 5287 B14R1.986 CCC(O)C(=O)CCCc1cccs1 1458a_100011196387_100010992444 [0,1,0,0,0,1|1,1,0]=4 5288 B14R1.986 CCC(O)C(=O)NCCc1ccco1 240690a_100000694680_100011196387 [0,1,0,0,0,1|1,0,0]=3 5289 B14R1.986 CCC(O)C(=O)NCCc1cccs1 240690a_100000203755_100011196387 [0,1,0,0,0,1|1,1,0]=4 5290 B14R1.986 CCN(C)C(=O)CCCc1cccs1 11a_100000225621_100000184482 [0,1,0,0,0,1|1,1,0]=4 5291 B14R1.986 CCN(C)C(=O)CCCc1cccs1 1626a_100000225621_100000184482 [0,1,0,0,0,1|1,1,0]=4 5292 B14R1.986 CCN(C)C(=O)CCCc1cccs1 240690a_100000225621_100000184482 [0,1,0,0,0,1|1,1,0]=4 5293 B14R1.986 CCN(C)C(=O)CCCc1cccs1 527a_100000225621_100000184482 [0,1,0,0,0,1|1,1,0]=4 5294 B14R1.986 CCN(C)C(=O)CNCc1ccco1 2230a_100000185738_100000738999 [0,1,0,0,0,1|1,0,0]=3 5295 B14R1.986 CCN(C)C(=O)CNCc1ccco1 34a_100000185738_100000738999 [0,1,0,0,0,1|1,0,0]=3 5296 B14R1.986 CCN(C)C(=O)CNCc1cccs1 2230a_100000211653_100000738999 [0,1,0,0,0,1|1,1,0]=4 5297 B14R1.986 CCN(C)C(=O)CNCc1ncco1 2230a_100016994969_100000738999 [0,1,0,0,0,1|2,0,0]=4 5298 B14R1.986 CCN(C)C(=O)COCc1ccco1 34a_100000210059_100000738999 [0,1,0,0,0,1|1,0,0]=3 5299 B14R1.986 CCN(C)C(=O)COCc1cccs1 34a_100000211240_100000738999 [0,1,0,0,0,1|1,1,0]=4 5300 B14R1.986 CCN(C)C(=O)COCc1ccno1 34a_100000740478_100000738999 [0,1,0,0,0,1|2,0,0]=4 5301 B14R1.986 CCN(C)C(=O)COCc1ncco1 34a_100000062594_100000738999 [0,1,0,0,0,1|2,0,0]=4 5302 B14R1.986 CCN(C)C(=O)CSCc1ncco1 62a_100000738999_103436540062 [0,1,0,0,0,1|2,0,0]=4 5303 B14R1.986 CCN(C)C(=O)CSCc1ncco1 62a_103436540062_100000738999 [0,1,0,0,0,1|2,0,0]=4 5304 B14R1.986 CCN(C)C(=O)NCCc1ccco1 2708a_100000694680_100000225621 [0,1,0,0,0,1|1,0,0]=3 5305 B14R1.986 CCN(C)C(=O)NCCc1ccco1 273464a_100000694680_100000225621 [0,1,0,0,0,1|1,0,0]=3 5306 B14R1.986 CCN(C)C(=O)NCCc1cccs1 2708a_100000203755_100000225621 [0,1,0,0,0,1|1,1,0]=4 5307 B14R1.986 CCN(C)C(=O)NCCc1cccs1 273464a_100000203755_100000225621 [0,1,0,0,0,1|1,1,0]=4 5308 B14R1.986 CNC(=O)C(=O)NCCc1ccco1 1626a_100000694680_100011218921 [0,1,0,0,0,1|2,0,0]=4 5309 B14R1.986 CNC(=O)C(=O)NCCc1ccco1 240690a_100000694680_100011218921 [0,1,0,0,0,1|2,0,0]=4 5310 B14R1.986 CNC(=O)C(=O)NCCc1ccco1 527a_100000694680_100011218921 [0,1,0,0,0,1|2,0,0]=4 5311 B14R1.986 COC(=O)C(=O)CNCc1ccco1 34a_100000185738_100011610305 [0,1,0,0,0,1|2,0,0]=4 5312 B14R1.986 COC(=O)C(=O)COCc1ccco1 34a_100000210059_100011610305 [0,1,0,0,0,1|2,0,0]=4 5313 B14R1.986 COC(=O)C(=O)NCCc1ccco1 11a_100000694680_100000024059 [0,1,0,0,0,1|2,0,0]=4 5314 B14R1.986 COC(=O)C(=O)NCCc1ccco1 1626a_100000694680_100000024059 [0,1,0,0,0,1|2,0,0]=4 5315 B14R1.986 COC(=O)C(=O)NCCc1ccco1 240690a_100000694680_100000024059 [0,1,0,0,0,1|2,0,0]=4 5316 B14R1.986 COC(=O)C(=O)NCCc1ccco1 527a_100000694680_100000024059 [0,1,0,0,0,1|2,0,0]=4 5317 B14R1.986 COC(C)C(=O)NCCc1ccco1 11a_100000694680_100000743197 [0,1,0,0,0,1|2,0,0]=4 5318 B14R1.986 COC(C)C(=O)NCCc1ccco1 1626a_100000694680_100000743197 [0,1,0,0,0,1|2,0,0]=4 5319 B14R1.986 COC(C)C(=O)NCCc1ccco1 240690a_100000694680_100000743197 [0,1,0,0,0,1|2,0,0]=4 5320 B14R1.986 COC(C)C(=O)NCCc1ccco1 527a_100000694680_100000743197 [0,1,0,0,0,1|2,0,0]=4 5321 B14R1.986 CON(C)C(=O)CNCc1ccco1 2230a_100000185738_100000764215 [0,1,0,0,0,1|2,0,0]=4 5322 B14R1.986 CON(C)C(=O)CNCc1ccco1 270004a_100015207273_100000186105 [0,1,0,0,0,1|2,0,0]=4 5323 B14R1.986 CSC(C)C(=O)NCCc1ccco1 11a_100000694680_100000149566 [0,1,0,0,0,1|2,0,0]=4 5324 B14R1.986 CSC(C)C(=O)NCCc1ccco1 1626a_100000694680_100000149566 [0,1,0,0,0,1|2,0,0]=4 5325 B14R1.986 CSC(C)C(=O)NCCc1ccco1 240690a_100000694680_100000149566 [0,1,0,0,0,1|2,0,0]=4 5326 B14R1.986 CSC(C)C(=O)NCCc1ccco1 527a_100000694680_100000149566 [0,1,0,0,0,1|2,0,0]=4 5327 B14R1.986 O=C(NCCc1ccco1)C(O)CO 240690a_100000694680_100011215603 [0,1,0,0,0,1|2,0,0]=4 5328 B14R1.6454 CC(=CC(=O)NCCc1ccco1)C 11a_100000694680_100000211388 [0,1,0,0,0,1|1,0,1]=4 5329 B14R1.6454 CC(=CC(=O)NCCc1ccco1)C 1626a_100000694680_100000211388 [0,1,0,0,0,1|1,0,1]=4 5330 B14R1.6454 CC(=CC(=O)NCCc1ccco1)C 240690a_100000694680_100000211388 [0,1,0,0,0,1|1,0,1]=4 5331 B14R1.6454 CC(=CC(=O)NCCc1ccco1)Cl 11a_100000694680_200042562850 [0,1,0,0,0,1|1,0,1]=4 5332 B14R1.6454 CC(=CC(=O)NCCc1ccco1)Cl 1626a_100000694680_200042562850 [0,1,0,0,0,1|1,0,1]=4 5333 B14R1.6454 CC(=CC(=O)NCCc1ccco1)Cl 240690a_100000694680_200042562850 [0,1,0,0,0,1|1,0,1]=4 5334 B14R1.6454 CC(=CC(=O)NCCc1ccco1)I 11a_100000694680_100025716642 [0,1,0,0,0,1|1,0,1]=4 5335 B14R1.6454 CC(=CC(=O)NCCc1ccco1)I 1626a_100000694680_100025716642 [0,1,0,0,0,1|1,0,1]=4 5336 B14R1.6454 CC(C)CC(=O)CCCc1cccs1 1458a_100000184482_100000210624 [0,1,0,0,0,1|1,1,0]=4 5337 B14R1.6454 CC(C)CC(=O)CCCc1cccs1 1458a_100000210554_100010992444 [0,1,0,0,0,1|1,1,0]=4 5338 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 11a_100000694680_100000210554 [0,1,0,0,0,1|1,0,0]=3 5339 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 1626a_100000694680_100000210554 [0,1,0,0,0,1|1,0,0]=3 5340 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 240690a_100000694680_100000210554 [0,1,0,0,0,1|1,0,0]=3 5341 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 527a_100000694680_100000210554 [0,1,0,0,0,1|1,0,0]=3 5342 B14R1.6454 CC(C)CC(=O)NCCc1cccs1 11a_100000203755_100000210554 [0,1,0,0,0,1|1,1,0]=4 5343 B14R1.6454 CC(C)CC(=O)NCCc1cccs1 1626a_100000203755_100000210554 [0,1,0,0,0,1|1,1,0]=4 5344 B14R1.6454 CC(C)CC(=O)NCCc1cccs1 240690a_100000203755_100000210554 [0,1,0,0,0,1|1,1,0]=4 5345 B14R1.6454 CC(C)CC(=O)NCCc1cccs1 527a_100000203755_100000210554 [0,1,0,0,0,1|1,1,0]=4 5346 B14R1.6454 CC(C)NC(=O)CCCc1cccs1 11a_100138425928_100000184482 [0,1,0,0,0,1|1,1,0]=4 5347 B14R1.6454 CC(C)NC(=O)CCCc1cccs1 1626a_100138425928_100000184482 [0,1,0,0,0,1|1,1,0]=4 5348 B14R1.6454 CC(C)NC(=O)CCCc1cccs1 240690a_100138425928_100000184482 [0,1,0,0,0,1|1,1,0]=4 5349 B14R1.6454 CC(C)NC(=O)CCCc1cccs1 527a_100138425928_100000184482 [0,1,0,0,0,1|1,1,0]=4 5350 B14R1.6454 CC(C)NC(=O)CCSc1ccco1 62a_100000737564_100009814098 [0,1,0,0,0,1|1,0,0]=3 5351 B14R1.6454 CC(C)NC(=O)CCSc1ccco1 62a_100009814098_100000737564 [0,1,0,0,0,1|1,0,0]=3 5352 B14R1.6454 CC(C)NC(=O)CCSc1cccs1 62a_100000737564_100011215356 [0,1,0,0,0,1|1,1,0]=4 5353 B14R1.6454 CC(C)NC(=O)CCSc1cccs1 62a_100011215356_100000737564 [0,1,0,0,0,1|1,1,0]=4 5354 B14R1.6454 CC(C)NC(=O)CCSc1cnco1 62a_100000737564_100020591547 [0,1,0,0,0,1|2,0,0]=4 5355 B14R1.6454 CC(C)NC(=O)CCSc1cnco1 62a_100020591547_100000737564 [0,1,0,0,0,1|2,0,0]=4 5356 B14R1.6454 CC(C)NC(=O)CCSc1ncco1 62a_100000737564_100011787736 [0,1,0,0,0,1|2,0,0]=4 5357 B14R1.6454 CC(C)NC(=O)CCSc1ncco1 62a_100011787736_100000737564 [0,1,0,0,0,1|2,0,0]=4 5358 B14R1.6454 CC(C)NC(=O)CNCc1ccco1 207a_100000168517_100000186105 [0,1,0,0,0,1|1,0,0]=3 5359 B14R1.6454 CC(C)NC(=O)CNCc1ccco1 2230a_100000185738_100000183996 [0,1,0,0,0,1|1,0,0]=3 5360 B14R1.6454 CC(C)NC(=O)CNCc1ccco1 270004a_100000168517_100000186105 [0,1,0,0,0,1|1,0,0]=3 5361 B14R1.6454 CC(C)NC(=O)CNCc1ccco1 34a_100000185738_100000183996 [0,1,0,0,0,1|1,0,0]=3 5362 B14R1.6454 CC(C)NC(=O)CNCc1cccs1 207a_100000168517_100000209959 [0,1,0,0,0,1|1,1,0]=4 5363 B14R1.6454 CC(C)NC(=O)CNCc1cccs1 2230a_100000211653_100000183996 [0,1,0,0,0,1|1,1,0]=4 5364 B14R1.6454 CC(C)NC(=O)CNCc1cccs1 270004a_100000168517_100000209959 [0,1,0,0,0,1|1,1,0]=4 5365 B14R1.6454 CC(C)NC(=O)CNCc1cnco1 270004a_100000168517_100000064291 [0,1,0,0,0,1|2,0,0]=4 5366 B14R1.6454 CC(C)NC(=O)CNCc1ncco1 2230a_100000168517_103436540062 [0,1,0,0,0,1|2,0,0]=4 5367 B14R1.6454 CC(C)NC(=O)CNCc1ncco1 2230a_100016994969_100000183996 [0,1,0,0,0,1|2,0,0]=4 5368 B14R1.6454 CC(C)NC(=O)CNCc1ncco1 270004a_100000168517_100000064290 [0,1,0,0,0,1|2,0,0]=4 5369 B14R1.6454 CC(C)NC(=O)COCc1ccco1 34a_100000210059_100000183996 [0,1,0,0,0,1|1,0,0]=3 5370 B14R1.6454 CC(C)NC(=O)COCc1cccs1 34a_100000211240_100000183996 [0,1,0,0,0,1|1,1,0]=4 5371 B14R1.6454 CC(C)NC(=O)COCc1ccno1 34a_100000740478_100000183996 [0,1,0,0,0,1|2,0,0]=4 5372 B14R1.6454 CC(C)NC(=O)COCc1ncco1 34a_100000062594_100000183996 [0,1,0,0,0,1|2,0,0]=4 5373 B14R1.6454 CC(C)NC(=O)CSCc1ncco1 62a_100000183996_103436540062 [0,1,0,0,0,1|2,0,0]=4 5374 B14R1.6454 CC(C)NC(=O)CSCc1ncco1 62a_103436540062_100000183996 [0,1,0,0,0,1|2,0,0]=4 5375 B14R1.6454 CC(C)NC(=O)NCCc1ccco1 2708a_100000694680_100138425928 [0,1,0,0,0,1|1,0,0]=3 5376 B14R1.6454 CC(C)NC(=O)NCCc1ccco1 2708a_100138425928_100000694680 [0,1,0,0,0,1|1,0,0]=3 5377 B14R1.6454 CC(C)NC(=O)NCCc1ccco1 512a_100000694680_100138425928 [0,1,0,0,0,1|1,0,0]=3 5378 B14R1.6454 CC(C)NC(=O)NCCc1ccco1 512a_100138425928_100000694680 [0,1,0,0,0,1|1,0,0]=3 5379 B14R1.6454 CC(C)NC(=O)NCCc1cccs1 2708a_100000203755_100138425928 [0,1,0,0,0,1|1,1,0]=4 5380 B14R1.6454 CC(C)NC(=O)NCCc1cccs1 2708a_100138425928_100000203755 [0,1,0,0,0,1|1,1,0]=4 5381 B14R1.6454 CC(C)NC(=O)NCCc1cccs1 273464a_100138425928_100000203755 [0,1,0,0,0,1|1,1,0]=4 5382 B14R1.6454 CC(C)NC(=O)NCCc1cccs1 512a_100000203755_100138425928 [0,1,0,0,0,1|1,1,0]=4 5383 B14R1.6454 CC(C)NC(=O)NCCc1cccs1 512a_100138425928_100000203755 [0,1,0,0,0,1|1,1,0]=4 5384 B14R1.6454 CC(C)OC(=O)CCOc1ccsc1 7a_100000106738_100000760027 [0,1,0,0,0,1|2,0,0]=4 5385 B14R1.6454 CC(C)OC(=O)CCSc1c[nH]cn1 62a_100000756875_100000760027 [0,1,0,0,0,1|2,0,0]=4 5386 B14R1.6454 CC(C)OC(=O)CCSc1c[nH]cn1 62a_100000760027_100000756875 [0,1,0,0,0,1|2,0,0]=4 5387 B14R1.6454 CC(C)OC(=O)CCSc1cc[nH]n1 62a_100000062575_100000760027 [0,1,0,0,0,1|2,0,0]=4 5388 B14R1.6454 CC(C)OC(=O)CCSc1cc[nH]n1 62a_100000760027_100000062575 [0,1,0,0,0,1|2,0,0]=4 5389 B14R1.6454 CC(C)OC(=O)CCSc1ccco1 62a_100000760027_100009814098 [0,1,0,0,0,1|0,0,0]=2 5390 B14R1.6454 CC(C)OC(=O)CCSc1ccco1 62a_100009814098_100000760027 [0,1,0,0,0,1|0,0,0]=2 5391 B14R1.6454 CC(C)OC(=O)CCSc1cccs1 62a_100000760027_100011215356 [0,1,0,0,0,1|0,1,0]=3 5392 B14R1.6454 CC(C)OC(=O)CCSc1cccs1 62a_100011215356_100000760027 [0,1,0,0,0,1|0,1,0]=3 5393 B14R1.6454 CC(C)OC(=O)CCSc1ccoc1 62a_100000760027_100011215275 [0,1,0,0,0,1|2,0,0]=4 5394 B14R1.6454 CC(C)OC(=O)CCSc1ccoc1 62a_100011215275_100000760027 [0,1,0,0,0,1|2,0,0]=4 5395 B14R1.6454 CC(C)OC(=O)CCSc1ccon1 62a_100000760027_100009818083 [0,1,0,0,0,1|2,0,0]=4 5396 B14R1.6454 CC(C)OC(=O)CCSc1ccon1 62a_100009818083_100000760027 [0,1,0,0,0,1|2,0,0]=4 5397 B14R1.6454 CC(C)OC(=O)CCSc1ccsc1 62a_100000738268_100000760027 [0,1,0,0,0,1|2,0,0]=4 5398 B14R1.6454 CC(C)OC(=O)CCSc1ccsc1 62a_100000760027_100000738268 [0,1,0,0,0,1|2,0,0]=4 5399 B14R1.6454 CC(C)OC(=O)CCSc1ccsn1 62a_100000760027_100009818082 [0,1,0,0,0,1|2,0,0]=4 5400 B14R1.6454 CC(C)OC(=O)CCSc1ccsn1 62a_100009818082_100000760027 [0,1,0,0,0,1|2,0,0]=4 5401 B14R1.6454 CC(C)OC(=O)CCSc1cnco1 62a_100000760027_100020591547 [0,1,0,0,0,1|1,0,0]=3 5402 B14R1.6454 CC(C)OC(=O)CCSc1cnco1 62a_100020591547_100000760027 [0,1,0,0,0,1|1,0,0]=3 5403 B14R1.6454 CC(C)OC(=O)CCSc1cncs1 62a_100000760027_100011934649 [0,1,0,0,0,1|1,1,0]=4 5404 B14R1.6454 CC(C)OC(=O)CCSc1cncs1 62a_100011934649_100000760027 [0,1,0,0,0,1|1,1,0]=4 5405 B14R1.6454 CC(C)OC(=O)CCSc1cscn1 62a_100000751502_100000760027 [0,1,0,0,0,1|2,0,0]=4 5406 B14R1.6454 CC(C)OC(=O)CCSc1cscn1 62a_100000760027_100000751502 [0,1,0,0,0,1|2,0,0]=4 5407 B14R1.6454 CC(C)OC(=O)CCSc1ncc[nH]1 62a_100000760027_100025796157 [0,1,0,0,0,1|2,0,0]=4 5408 B14R1.6454 CC(C)OC(=O)CCSc1ncc[nH]1 62a_100025796157_100000760027 [0,1,0,0,0,1|2,0,0]=4 5409 B14R1.6454 CC(C)OC(=O)CCSc1ncco1 62a_100000760027_100011787736 [0,1,0,0,0,1|1,0,0]=3 5410 B14R1.6454 CC(C)OC(=O)CCSc1ncco1 62a_100011787736_100000760027 [0,1,0,0,0,1|1,0,0]=3 5411 B14R1.6454 CC(C)OC(=O)CCSc1nccs1 62a_100000211983_100000760027 [0,1,0,0,0,1|1,1,0]=4 5412 B14R1.6454 CC(C)OC(=O)CCSc1nccs1 62a_100000760027_100000211983 [0,1,0,0,0,1|1,1,0]=4 5413 B14R1.6454 CC(C)OC(=O)CNCc1ccco1 2230a_100000185738_100011215430 [0,1,0,0,0,1|0,0,0]=2 5414 B14R1.6454 CC(C)OC(=O)CNCc1ccco1 34a_100000185738_100011215430 [0,1,0,0,0,1|0,0,0]=2 5415 B14R1.6454 CC(C)OC(=O)CNCc1cccs1 2230a_100000211653_100011215430 [0,1,0,0,0,1|0,1,0]=3 5416 B14R1.6454 CC(C)OC(=O)CNCc1ccoc1 2230a_100015206860_100011215430 [0,1,0,0,0,1|2,0,0]=4 5417 B14R1.6454 CC(C)OC(=O)CNCc1ccoc1 34a_100015206860_100011215430 [0,1,0,0,0,1|2,0,0]=4 5418 B14R1.6454 CC(C)OC(=O)CNCc1ccsc1 2230a_100000186416_100011215430 [0,1,0,0,0,1|2,0,0]=4 5419 B14R1.6454 CC(C)OC(=O)CNCc1ccsc1 34a_100000186416_100011215430 [0,1,0,0,0,1|2,0,0]=4 5420 B14R1.6454 CC(C)OC(=O)CNCc1cncs1 2230a_100016987365_100011215430 [0,1,0,0,0,1|1,1,0]=4 5421 B14R1.6454 CC(C)OC(=O)CNCc1cscn1 2230a_100015185402_100011215430 [0,1,0,0,0,1|2,0,0]=4 5422 B14R1.6454 CC(C)OC(=O)CNCc1ncco1 2230a_100016994969_100011215430 [0,1,0,0,0,1|1,0,0]=3 5423 B14R1.6454 CC(C)OC(=O)CNCc1nccs1 2230a_100000740555_100011215430 [0,1,0,0,0,1|1,1,0]=4 5424 B14R1.6454 CC(C)OC(=O)COCc1ccco1 34a_100000210059_100011215430 [0,1,0,0,0,1|0,0,0]=2 5425 B14R1.6454 CC(C)OC(=O)COCc1cccs1 34a_100000211240_100011215430 [0,1,0,0,0,1|0,1,0]=3 5426 B14R1.6454 CC(C)OC(=O)COCc1ccno1 34a_100000740478_100011215430 [0,1,0,0,0,1|1,0,0]=3 5427 B14R1.6454 CC(C)OC(=O)COCc1ccoc1 34a_100011215357_100011215430 [0,1,0,0,0,1|2,0,0]=4 5428 B14R1.6454 CC(C)OC(=O)COCc1ccsc1 34a_100011215551_100011215430 [0,1,0,0,0,1|2,0,0]=4 5429 B14R1.6454 CC(C)OC(=O)COCc1ncco1 34a_100000062594_100011215430 [0,1,0,0,0,1|1,0,0]=3 5430 B14R1.6454 CC(C)OC(=O)COCn1cccn1 34a_100000731028_100011215430 [0,1,0,0,0,1|2,0,0]=4 5431 B14R1.6454 CC(C)OC(=O)CSCc1c[nH]cn1 62a_100000707719_100011215430 [0,1,0,0,0,1|2,0,0]=4 5432 B14R1.6454 CC(C)OC(=O)CSCc1c[nH]cn1 62a_100011215430_100000707719 [0,1,0,0,0,1|2,0,0]=4 5433 B14R1.6454 CC(C)OC(=O)CSCc1ccn[nH]1 62a_100000728653_100011215430 [0,1,0,0,0,1|2,0,0]=4 5434 B14R1.6454 CC(C)OC(=O)CSCc1ccn[nH]1 62a_100011215430_100000728653 [0,1,0,0,0,1|2,0,0]=4 5435 B14R1.6454 CC(C)OC(=O)CSCc1ccon1 62a_100000234950_100011215430 [0,1,0,0,0,1|2,0,0]=4 5436 B14R1.6454 CC(C)OC(=O)CSCc1ccon1 62a_100011215430_100000234950 [0,1,0,0,0,1|2,0,0]=4 5437 B14R1.6454 CC(C)OC(=O)CSCc1ccsc1 62a_100011215430_100011233845 [0,1,0,0,0,1|2,0,0]=4 5438 B14R1.6454 CC(C)OC(=O)CSCc1ccsc1 62a_100011261437_100011215430 [0,1,0,0,0,1|2,0,0]=4 5439 B14R1.6454 CC(C)OC(=O)CSCc1cncs1 62a_100011215430_100015185245 [0,1,0,0,0,1|1,1,0]=4 5440 B14R1.6454 CC(C)OC(=O)CSCc1cncs1 62a_100015185245_100011215430 [0,1,0,0,0,1|1,1,0]=4 5441 B14R1.6454 CC(C)OC(=O)CSCc1cscn1 62a_100000205941_100011215430 [0,1,0,0,0,1|2,0,0]=4 5442 B14R1.6454 CC(C)OC(=O)CSCc1cscn1 62a_100011215430_100000205941 [0,1,0,0,0,1|2,0,0]=4 5443 B14R1.6454 CC(C)OC(=O)CSCc1ncc[nH]1 62a_100011215430_100016991755 [0,1,0,0,0,1|2,0,0]=4 5444 B14R1.6454 CC(C)OC(=O)CSCc1ncc[nH]1 62a_100016991755_100011215430 [0,1,0,0,0,1|2,0,0]=4 5445 B14R1.6454 CC(C)OC(=O)CSCc1ncco1 62a_100011215430_103436540062 [0,1,0,0,0,1|1,0,0]=3 5446 B14R1.6454 CC(C)OC(=O)CSCc1ncco1 62a_103436540062_100011215430 [0,1,0,0,0,1|1,0,0]=3 5447 B14R1.6454 CC(C)OC(=O)CSCc1nccs1 62a_100011215430_100015184050 [0,1,0,0,0,1|1,1,0]=4 5448 B14R1.6454 CC(C)OC(=O)CSCc1nccs1 62a_100015184050_100011215430 [0,1,0,0,0,1|1,1,0]=4 5449 B14R1.6454 CC(C)OC(=O)OCSc1ccco1 62a_100000003507_100009814098 [0,1,0,0,0,1|1,0,0]=3 5450 B14R1.6454 CC(C)OC(=O)OCSc1ccco1 62a_100009814098_100000003507 [0,1,0,0,0,1|1,0,0]=3 5451 B14R1.6454 CC(C)OC(=O)OCSc1cccs1 62a_100000003507_100011215356 [0,1,0,0,0,1|1,1,0]=4 5452 B14R1.6454 CC(C)OC(=O)OCSc1cccs1 62a_100011215356_100000003507 [0,1,0,0,0,1|1,1,0]=4 5453 B14R1.6454 CC(C)OC(=O)OCSc1cnco1 62a_100000003507_100020591547 [0,1,0,0,0,1|2,0,0]=4 5454 B14R1.6454 CC(C)OC(=O)OCSc1cnco1 62a_100020591547_100000003507 [0,1,0,0,0,1|2,0,0]=4 5455 B14R1.6454 CC(C)OC(=O)OCSc1ncco1 62a_100000003507_100011787736 [0,1,0,0,0,1|2,0,0]=4 5456 B14R1.6454 CC(C)OC(=O)OCSc1ncco1 62a_100011787736_100000003507 [0,1,0,0,0,1|2,0,0]=4 5457 B14R1.6454 CC(O)CC(=O)CCCc1cccs1 1458a_100000184482_100011218427 [0,1,0,0,0,1|1,1,0]=4 5458 B14R1.6454 CN(C)CC(=O)NCCc1ccco1 11a_100000694680_100000750896 [0,1,0,0,0,1|2,0,0]=4 5459 B14R1.6454 CN(C)CC(=O)NCCc1ccco1 240690a_100000694680_100000750896 [0,1,0,0,0,1|2,0,0]=4 5460 B14R1.6454 CN(C)CC(=O)NCCc1ccco1 527a_100000694680_100000750896 [0,1,0,0,0,1|2,0,0]=4 5461 B14R1.6454 C[C@@H](O)CC(=O)CCCc1cccs1 1458a_100011933948_100010992444 [0,1,0,0,0,1|1,1,0]=4 5462 B14R1.6454 C[C@@H](O)CC(=O)NCCc1ccco1 240690a_100000694680_100011933948 [0,1,0,0,0,1|1,0,0]=3 5463 B14R1.6454 C[C@@H](O)CC(=O)NCCc1cccs1 240690a_100000203755_100011933948 [0,1,0,0,0,1|1,1,0]=4 5464 B14R1.6454 C[S+](C)CC(=O)NCCc1ccco1 11a_100000694680_200159257847 [0,1,0,0,0,1|2,0,0]=4 5465 B14R1.6454 C[S+](C)CC(=O)NCCc1ccco1 1626a_100000694680_200159257847 [0,1,0,0,0,1|2,0,0]=4 5466 B14R1.6454 C[S+](C)CC(=O)NCCc1ccco1 240690a_100000694680_200159257847 [0,1,0,0,0,1|2,0,0]=4 5467 B14R1.6454 C[S+](C)CC(=O)NCCc1ccco1 527a_100000694680_200159257847 [0,1,0,0,0,1|2,0,0]=4 5468 B14R1.6715 CCCS(=O)(=O)NCCc1ccco1 270084a_100000694680_100000211391 [0,1,0,0,0,1|2,0,0]=4 5469 B14R1.6715 CCCS(=O)(=O)NCCc1ccco1 274078a_100000694680_100000211391 [0,1,0,0,0,1|2,0,0]=4 5470 B14R1.6715 CCCS(=O)(=O)NCCc1ccco1 40a_100000694680_100000054278 [0,1,0,0,0,1|2,0,0]=4 5471 B14R1.137 CCC#CC(=O)CC(=O)c1ccco1 1458a_100011827653_100000211439 [0,2,0,0,0,0|1,0,1]=4 5472 B14R1.137 CCC=CC(=O)CC(=O)c1ccco1 1458a_100000212282_100000211439 [0,2,0,0,0,0|1,0,1]=4 5473 B14R1.137 CCC=CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000212282 [0,2,0,0,0,0|2,0,0]=4 5474 B14R1.137 CCC=CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000212282 [0,2,0,0,0,0|2,0,0]=4 5475 B14R1.137 CCC=CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000212282 [0,2,0,0,0,0|2,0,0]=4 5476 B14R1.137 CCCCC(=O)CC(=O)c1ccco1 1458a_100000210183_100000211439 [0,2,0,0,0,0|1,0,1]=4 5477 B14R1.137 CCCCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210183 [0,2,0,0,0,0|2,0,0]=4 5478 B14R1.137 CCCCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210183 [0,2,0,0,0,0|2,0,0]=4 5479 B14R1.137 CCCCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210183 [0,2,0,0,0,0|2,0,0]=4 5480 B14R1.137 CCCCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210183 [0,2,0,0,0,0|2,0,0]=4 5481 B14R1.137 CCCNC(=O)N[C@H](C)c1ccco1 2708a_100020643023_100160469435 [0,2,0,0,0,0|2,0,0]=4 5482 B14R1.137 CCCNC(=O)N[C@H](C)c1ccco1 2708a_100160469435_100020643023 [0,2,0,0,0,0|2,0,0]=4 5483 B14R1.137 CCCNC(=O)N[C@H](C)c1ccco1 273464a_100020643023_100160469435 [0,2,0,0,0,0|2,0,0]=4 5484 B14R1.137 CCCNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100020643023 [0,2,0,0,0,0|2,0,0]=4 5485 B14R1.137 CCCNC(=O)N[C@H](C)c1ccco1 512a_100020643023_100160469435 [0,2,0,0,0,0|2,0,0]=4 5486 B14R1.137 CCCNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100020643023 [0,2,0,0,0,0|2,0,0]=4 5487 B14R1.137 CCNNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100000756455 [0,2,0,0,0,0|2,0,0]=4 5488 B14R1.137 CCNNC(=O)N[C@H](C)c1ccco1 512a_100000756455_100160469435 [0,2,0,0,0,0|2,0,0]=4 5489 B14R1.137 CCNNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100000756455 [0,2,0,0,0,0|2,0,0]=4 5490 B14R1.137 CCOCC(=O)CC(=O)c1ccc[nH]1 1458a_100000211967_200011262396 [0,2,0,0,0,0|1,0,1]=4 5491 B14R1.137 CCOCC(=O)CC(=O)c1ccco1 1458a_100000211967_100000211439 [0,2,0,0,0,0|0,0,1]=3 5492 B14R1.137 CCOCC(=O)CC(=O)c1cccs1 1458a_100000211967_100000211436 [0,2,0,0,0,0|0,1,1]=4 5493 B14R1.137 CCOCC(=O)NC(C)c1cccs1 11a_100000703493_100000211967 [0,2,0,0,0,0|1,1,0]=4 5494 B14R1.137 CCOCC(=O)NC(C)c1cccs1 1626a_100000703493_100000211967 [0,2,0,0,0,0|1,1,0]=4 5495 B14R1.137 CCOCC(=O)NC(C)c1cccs1 240690a_100000703493_100000211967 [0,2,0,0,0,0|1,1,0]=4 5496 B14R1.137 CCOCC(=O)NC(C)c1cccs1 527a_100000703493_100000211967 [0,2,0,0,0,0|1,1,0]=4 5497 B14R1.137 CCOCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000211967 [0,2,0,0,0,0|1,0,0]=3 5498 B14R1.137 CCOCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000211967 [0,2,0,0,0,0|1,0,0]=3 5499 B14R1.137 CCOCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000211967 [0,2,0,0,0,0|1,0,0]=3 5500 B14R1.137 CCOCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000211967 [0,2,0,0,0,0|1,0,0]=3 5501 B14R1.137 CCSCC(=O)CC(=O)c1ccco1 1458a_100000230394_100000211439 [0,2,0,0,0,0|0,1,1]=4 5502 B14R1.137 CCSCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000230394 [0,2,0,0,0,0|1,1,0]=4 5503 B14R1.137 CCSCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000230394 [0,2,0,0,0,0|1,1,0]=4 5504 B14R1.137 CCSCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000230394 [0,2,0,0,0,0|1,1,0]=4 5505 B14R1.137 CCSCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000230394 [0,2,0,0,0,0|1,1,0]=4 5506 B14R1.137 COCCC(=O)CC(=O)c1ccco1 1458a_100000749529_100000211439 [0,2,0,0,0,0|1,0,1]=4 5507 B14R1.137 COCCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000749529 [0,2,0,0,0,0|2,0,0]=4 5508 B14R1.137 COCCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000749529 [0,2,0,0,0,0|2,0,0]=4 5509 B14R1.137 COCCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000749529 [0,2,0,0,0,0|2,0,0]=4 5510 B14R1.137 COCCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000749529 [0,2,0,0,0,0|2,0,0]=4 5511 B14R1.137 CSCCC(=O)CC(=O)c1ccco1 1458a_100000174002_100000211439 [0,2,0,0,0,0|1,0,1]=4 5512 B14R1.137 CSCCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000174002 [0,2,0,0,0,0|2,0,0]=4 5513 B14R1.137 CSCCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000174002 [0,2,0,0,0,0|2,0,0]=4 5514 B14R1.137 CSCCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000174002 [0,2,0,0,0,0|2,0,0]=4 5515 B14R1.137 CSCCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000174002 [0,2,0,0,0,0|2,0,0]=4 5516 B14R1.137 C[C@@H](NC(=O)NCCF)c1ccco1 2708a_100160469435_100000724931 [0,2,0,0,0,0|2,0,0]=4 5517 B14R1.137 C[C@@H](NC(=O)NCCF)c1ccco1 273464a_100000724931_100160469435 [0,2,0,0,0,0|2,0,0]=4 5518 B14R1.137 C[C@@H](NC(=O)NCCF)c1ccco1 273464a_100160469435_100000724931 [0,2,0,0,0,0|2,0,0]=4 5519 B14R1.137 C[C@@H](NC(=O)NCCF)c1ccco1 512a_100160469435_100000724931 [0,2,0,0,0,0|2,0,0]=4 5520 B14R1.137 C[C@@H](NC(=O)NCCO)c1ccco1 2708a_100160469435_100000210304 [0,2,0,0,0,0|2,0,0]=4 5521 B14R1.137 C[C@@H](NC(=O)NCCO)c1ccco1 273464a_100000210304_100160469435 [0,2,0,0,0,0|2,0,0]=4 5522 B14R1.137 C[C@@H](NC(=O)NCCO)c1ccco1 273464a_100160469435_100000210304 [0,2,0,0,0,0|2,0,0]=4 5523 B14R1.137 C[C@@H](NC(=O)NCCO)c1ccco1 512a_100160469435_100000210304 [0,2,0,0,0,0|2,0,0]=4 5524 B14R1.475 CCCC(=O)N(C)C(C)c1ccco1 11a_100000232712_100000211992 [0,2,0,0,0,0|2,0,0]=4 5525 B14R1.475 CCCC(=O)N(C)C(C)c1ccco1 1626a_100000232712_100000211992 [0,2,0,0,0,0|2,0,0]=4 5526 B14R1.475 CCCC(=O)N(C)C(C)c1ccco1 240690a_100000232712_100000211992 [0,2,0,0,0,0|2,0,0]=4 5527 B14R1.475 CCCC(=O)N(C)C(C)c1ccco1 527a_100000232712_100000211992 [0,2,0,0,0,0|2,0,0]=4 5528 B14R1.475 CCNC(=O)N(C)C(C)c1ccco1 2708a_100015525214_100000232712 [0,2,0,0,0,0|2,0,0]=4 5529 B14R1.720 CCC(C)C(=O)CC(=O)c1ccco1 1458a_100011192722_100000211439 [0,2,0,0,0,0|1,0,1]=4 5530 B14R1.720 CCC(C)C(=O)N[C@H](C)c1ccco1 11a_100160469435_100011192722 [0,2,0,0,0,0|2,0,0]=4 5531 B14R1.720 CCC(C)C(=O)N[C@H](C)c1ccco1 1626a_100160469435_100011192722 [0,2,0,0,0,0|2,0,0]=4 5532 B14R1.720 CCC(C)C(=O)N[C@H](C)c1ccco1 240690a_100160469435_100011192722 [0,2,0,0,0,0|2,0,0]=4 5533 B14R1.720 CCC(C)C(=O)N[C@H](C)c1ccco1 527a_100160469435_100011192722 [0,2,0,0,0,0|2,0,0]=4 5534 B14R1.720 CCC(O)C(=O)CC(=O)c1ccco1 1458a_100011196387_100000211439 [0,2,0,0,0,0|1,0,1]=4 5535 B14R1.720 CCC(O)C(=O)N[C@H](C)c1ccco1 240690a_100160469435_100011196387 [0,2,0,0,0,0|2,0,0]=4 5536 B14R1.720 CCN(C)C(=O)N[C@H](C)c1ccco1 2708a_100160469435_100000225621 [0,2,0,0,0,0|2,0,0]=4 5537 B14R1.720 CCN(C)C(=O)N[C@H](C)c1ccco1 273464a_100160469435_100000225621 [0,2,0,0,0,0|2,0,0]=4 5538 B14R1.807 CC(C)CC(=O)CC(=O)c1ccco1 1458a_100000210554_100000211439 [0,2,0,0,0,0|1,0,1]=4 5539 B14R1.807 CC(C)CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210554 [0,2,0,0,0,0|2,0,0]=4 5540 B14R1.807 CC(C)CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210554 [0,2,0,0,0,0|2,0,0]=4 5541 B14R1.807 CC(C)CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210554 [0,2,0,0,0,0|2,0,0]=4 5542 B14R1.807 CC(C)CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210554 [0,2,0,0,0,0|2,0,0]=4 5543 B14R1.807 CC(C)NC(=O)N[C@H](C)c1ccco1 2708a_100138425928_100160469435 [0,2,0,0,0,0|2,0,0]=4 5544 B14R1.807 CC(C)NC(=O)N[C@H](C)c1ccco1 2708a_100160469435_100138425928 [0,2,0,0,0,0|2,0,0]=4 5545 B14R1.807 CC(C)NC(=O)N[C@H](C)c1ccco1 273464a_100138425928_100160469435 [0,2,0,0,0,0|2,0,0]=4 5546 B14R1.807 CC(C)NC(=O)N[C@H](C)c1ccco1 512a_100138425928_100160469435 [0,2,0,0,0,0|2,0,0]=4 5547 B14R1.807 CC(C)NC(=O)N[C@H](C)c1ccco1 512a_100160469435_100138425928 [0,2,0,0,0,0|2,0,0]=4 5548 B14R1.807 C[C@@H](O)CC(=O)CC(=O)c1ccco1 1458a_100011933948_100000211439 [0,2,0,0,0,0|1,0,1]=4 5549 B14R1.807 C[C@@H](O)CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100011933948 [0,2,0,0,0,0|2,0,0]=4 5550 B14R1.951 CCCC(=O)NC(CC)c1ccco1 11a_100015202707_100000211992 [0,2,0,0,0,0|2,0,0]=4 5551 B14R1.951 CCCC(=O)NC(CC)c1ccco1 1626a_100015202707_100000211992 [0,2,0,0,0,0|2,0,0]=4 5552 B14R1.951 CCCC(=O)NC(CC)c1ccco1 240690a_100015202707_100000211992 [0,2,0,0,0,0|2,0,0]=4 5553 B14R1.951 CCCC(=O)NC(CC)c1ccco1 527a_100015202707_100000211992 [0,2,0,0,0,0|2,0,0]=4 5554 B14R1.951 CCNC(=O)NC(CC)c1ccco1 2708a_100015202707_100015525214 [0,2,0,0,0,0|2,0,0]=4 5555 B14R1.951 CCNC(=O)NC(CC)c1ccco1 2708a_100015525214_100015202707 [0,2,0,0,0,0|2,0,0]=4 5556 B14R1.951 CCNC(=O)NC(CC)c1ccco1 273464a_100015202707_100015525214 [0,2,0,0,0,0|2,0,0]=4 5557 B14R1.951 CCNC(=O)NC(CC)c1ccco1 273464a_100015525214_100015202707 [0,2,0,0,0,0|2,0,0]=4 5558 B14R1.951 CCNC(=O)NC(CC)c1ccco1 512a_100015202707_100015525214 [0,2,0,0,0,0|2,0,0]=4 5559 B14R1.951 CCNC(=O)NC(CC)c1ccco1 512a_100015525214_100015202707 [0,2,0,0,0,0|2,0,0]=4 5560 B14R1.59 CCCC(=O)N(C)Cc1ccc(o1)Br 240690a_100000207588_100000211992 [0,2,0,0,0,0|2,0,0]=4 5561 B14R1.59 CCCC(=O)N(C)Cc1ccc(o1)Br 527a_100000207588_100000211992 [0,2,0,0,0,0|2,0,0]=4 5562 B14R1.59 CCCC(=O)N(C)Cc1ccc(o1)C 1626a_100000184526_100000211992 [0,2,0,0,0,0|2,0,0]=4 5563 B14R1.59 CCCC(=O)N(C)Cc1ccc(o1)C 527a_100000184526_100000211992 [0,2,0,0,0,0|2,0,0]=4 5564 B14R1.59 CCNC(=O)N(C)Cc1ccc(o1)Br 2708a_100015525214_100000207588 [0,2,0,0,0,0|2,0,0]=4 5565 B14R1.59 CCNC(=O)N(C)Cc1ccc(o1)C 2708a_100015525214_100000184526 [0,2,0,0,0,0|2,0,0]=4 5566 B14R1.59 CCOC(=O)C(C)Sc1cc(cs1)C 62a_100009876951_100011216346 [0,2,0,0,0,0|1,1,0]=4 5567 B14R1.59 CCOC(=O)C(C)Sc1cc(cs1)C 62a_100011216346_100009876951 [0,2,0,0,0,0|1,1,0]=4 5568 B14R1.59 CCOC(=O)C(C)Sc1ccc(s1)Br 62a_100010197418_100011216346 [0,2,0,0,0,0|1,1,0]=4 5569 B14R1.59 CCOC(=O)C(C)Sc1ccc(s1)Br 62a_100011216346_100010197418 [0,2,0,0,0,0|1,1,0]=4 5570 B14R1.59 CCOC(=O)C(C)Sc1ccc(s1)C 62a_100000031368_100011216346 [0,2,0,0,0,0|1,1,0]=4 5571 B14R1.59 CCOC(=O)C(C)Sc1ccc(s1)C 62a_100011216346_100000031368 [0,2,0,0,0,0|1,1,0]=4 5572 B14R1.59 CCOC(=O)C(F)Sc1cc(cs1)C 62a_100000760018_100009876951 [0,2,0,0,0,0|1,1,0]=4 5573 B14R1.59 CCOC(=O)C(F)Sc1cc(cs1)C 62a_100009876951_100000760018 [0,2,0,0,0,0|1,1,0]=4 5574 B14R1.59 CCOC(=O)C(F)Sc1ccc(s1)Br 62a_100000760018_100010197418 [0,2,0,0,0,0|1,1,0]=4 5575 B14R1.59 CCOC(=O)C(F)Sc1ccc(s1)Br 62a_100010197418_100000760018 [0,2,0,0,0,0|1,1,0]=4 5576 B14R1.59 CCOC(=O)C(F)Sc1ccc(s1)C 62a_100000031368_100000760018 [0,2,0,0,0,0|1,1,0]=4 5577 B14R1.59 CCOC(=O)C(F)Sc1ccc(s1)C 62a_100000760018_100000031368 [0,2,0,0,0,0|1,1,0]=4 5578 B14R1.155 CCC=CC(=O)NCc1ccc(o1)Br 11a_100000708654_100000212282 [0,2,0,0,0,0|2,0,0]=4 5579 B14R1.155 CCC=CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000212282 [0,2,0,0,0,0|2,0,0]=4 5580 B14R1.155 CCC=CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000212282 [0,2,0,0,0,0|2,0,0]=4 5581 B14R1.155 CCC=CC(=O)NCc1ccc(o1)C 11a_100011194323_100000212282 [0,2,0,0,0,0|2,0,0]=4 5582 B14R1.155 CCC=CC(=O)NCc1ccc(o1)C 1626a_100011194323_100000212282 [0,2,0,0,0,0|2,0,0]=4 5583 B14R1.155 CCC=CC(=O)NCc1ccc(o1)C 240690a_100011194323_100000212282 [0,2,0,0,0,0|2,0,0]=4 5584 B14R1.155 CCCCC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000210211 [0,2,0,0,0,0|2,0,0]=4 5585 B14R1.155 CCCCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210183 [0,2,0,0,0,0|2,0,0]=4 5586 B14R1.155 CCCCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210183 [0,2,0,0,0,0|2,0,0]=4 5587 B14R1.155 CCCCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210183 [0,2,0,0,0,0|2,0,0]=4 5588 B14R1.155 CCCCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000210183 [0,2,0,0,0,0|2,0,0]=4 5589 B14R1.155 CCCCC(=O)NCc1ccc(o1)C 11a_100011194323_100000210183 [0,2,0,0,0,0|2,0,0]=4 5590 B14R1.155 CCCCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210183 [0,2,0,0,0,0|2,0,0]=4 5591 B14R1.155 CCCCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210183 [0,2,0,0,0,0|2,0,0]=4 5592 B14R1.155 CCCCC(=O)NCc1ccc(o1)C 527a_100011194323_100000210183 [0,2,0,0,0,0|2,0,0]=4 5593 B14R1.155 CCCNC(=O)CCc1cc(no1)Cl 11a_100020643023_100000022696 [0,2,0,0,0,0|2,0,0]=4 5594 B14R1.155 CCCNC(=O)CCc1cc(no1)Cl 1626a_100020643023_100000022696 [0,2,0,0,0,0|2,0,0]=4 5595 B14R1.155 CCCNC(=O)CCc1cc(no1)Cl 240690a_100020643023_100000022696 [0,2,0,0,0,0|2,0,0]=4 5596 B14R1.155 CCCNC(=O)CCc1cc(no1)Cl 527a_100020643023_100000022696 [0,2,0,0,0,0|2,0,0]=4 5597 B14R1.155 CCCNC(=O)NCc1ccc(o1)Br 2708a_100000708654_100020643023 [0,2,0,0,0,0|2,0,0]=4 5598 B14R1.155 CCCNC(=O)NCc1ccc(o1)Br 2708a_100020643023_100000708654 [0,2,0,0,0,0|2,0,0]=4 5599 B14R1.155 CCCNC(=O)NCc1ccc(o1)Br 273464a_100000708654_100020643023 [0,2,0,0,0,0|2,0,0]=4 5600 B14R1.155 CCCNC(=O)NCc1ccc(o1)Br 273464a_100020643023_100000708654 [0,2,0,0,0,0|2,0,0]=4 5601 B14R1.155 CCCNC(=O)NCc1ccc(o1)Br 512a_100000708654_100020643023 [0,2,0,0,0,0|2,0,0]=4 5602 B14R1.155 CCCNC(=O)NCc1ccc(o1)Br 512a_100020643023_100000708654 [0,2,0,0,0,0|2,0,0]=4 5603 B14R1.155 CCCNC(=O)NCc1ccc(o1)C 2708a_100011194323_100020643023 [0,2,0,0,0,0|2,0,0]=4 5604 B14R1.155 CCCNC(=O)NCc1ccc(o1)C 2708a_100020643023_100011194323 [0,2,0,0,0,0|2,0,0]=4 5605 B14R1.155 CCCNC(=O)NCc1ccc(o1)C 273464a_100011194323_100020643023 [0,2,0,0,0,0|2,0,0]=4 5606 B14R1.155 CCCNC(=O)NCc1ccc(o1)C 512a_100011194323_100020643023 [0,2,0,0,0,0|2,0,0]=4 5607 B14R1.155 CCCNC(=O)NCc1ccc(o1)C 512a_100020643023_100011194323 [0,2,0,0,0,0|2,0,0]=4 5608 B14R1.155 CCCOC(=O)CSc1cc(cs1)C 62a_100009876951_200011215008 [0,2,0,0,0,0|1,1,0]=4 5609 B14R1.155 CCCOC(=O)CSc1cc(cs1)C 62a_200011215008_100009876951 [0,2,0,0,0,0|1,1,0]=4 5610 B14R1.155 CCCOC(=O)CSc1ccc(s1)Br 62a_100010197418_200011215008 [0,2,0,0,0,0|1,1,0]=4 5611 B14R1.155 CCCOC(=O)CSc1ccc(s1)Br 62a_200011215008_100010197418 [0,2,0,0,0,0|1,1,0]=4 5612 B14R1.155 CCCOC(=O)CSc1ccc(s1)C 62a_100000031368_200011215008 [0,2,0,0,0,0|1,1,0]=4 5613 B14R1.155 CCCOC(=O)CSc1ccc(s1)C 62a_200011215008_100000031368 [0,2,0,0,0,0|1,1,0]=4 5614 B14R1.155 CCNNC(=O)CCc1cc(no1)Cl 22a_100000756455_100000022696 [0,2,0,0,0,0|2,0,0]=4 5615 B14R1.155 CCNNC(=O)NCc1ccc(o1)Br 273464a_100000708654_100000756455 [0,2,0,0,0,0|2,0,0]=4 5616 B14R1.155 CCNNC(=O)NCc1ccc(o1)Br 512a_100000708654_100000756455 [0,2,0,0,0,0|2,0,0]=4 5617 B14R1.155 CCNNC(=O)NCc1ccc(o1)Br 512a_100000756455_100000708654 [0,2,0,0,0,0|2,0,0]=4 5618 B14R1.155 CCNNC(=O)NCc1ccc(o1)C 273464a_100011194323_100000756455 [0,2,0,0,0,0|2,0,0]=4 5619 B14R1.155 CCNNC(=O)NCc1ccc(o1)C 512a_100000756455_100011194323 [0,2,0,0,0,0|2,0,0]=4 5620 B14R1.155 CCNNC(=O)NCc1ccc(o1)C 512a_100011194323_100000756455 [0,2,0,0,0,0|2,0,0]=4 5621 B14R1.155 CCOCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100000209952 [0,2,0,0,0,0|0,0,2]=4 5622 B14R1.155 CCOCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000209952 [0,2,0,0,0,0|0,0,2]=4 5623 B14R1.155 CCOCC(=O)CCc1csc(n1)C 1458a_100000211967_100000695623 [0,2,0,0,0,0|2,0,0]=4 5624 B14R1.155 CCOCC(=O)CCn1cc(cn1)Cl 1458a_100000211967_100011353933 [0,2,0,0,0,0|2,0,0]=4 5625 B14R1.155 CCOCC(=O)CCn1ccc(n1)C 1458a_100000211967_200011934056 [0,2,0,0,0,0|2,0,0]=4 5626 B14R1.155 CCOCC(=O)NCc1cc(cs1)Br 11a_100000741024_100000211967 [0,2,0,0,0,0|1,1,0]=4 5627 B14R1.155 CCOCC(=O)NCc1cc(cs1)Br 1626a_100000741024_100000211967 [0,2,0,0,0,0|1,1,0]=4 5628 B14R1.155 CCOCC(=O)NCc1cc(cs1)Br 240690a_100000741024_100000211967 [0,2,0,0,0,0|1,1,0]=4 5629 B14R1.155 CCOCC(=O)NCc1cc(cs1)Br 527a_100000741024_100000211967 [0,2,0,0,0,0|1,1,0]=4 5630 B14R1.155 CCOCC(=O)NCc1cc(cs1)C 11a_100015204214_100000211967 [0,2,0,0,0,0|1,1,0]=4 5631 B14R1.155 CCOCC(=O)NCc1cc(cs1)C 1626a_100015204214_100000211967 [0,2,0,0,0,0|1,1,0]=4 5632 B14R1.155 CCOCC(=O)NCc1cc(cs1)C 240690a_100015204214_100000211967 [0,2,0,0,0,0|1,1,0]=4 5633 B14R1.155 CCOCC(=O)NCc1cc(cs1)C 527a_100015204214_100000211967 [0,2,0,0,0,0|1,1,0]=4 5634 B14R1.155 CCOCC(=O)NCc1cc(no1)Br 11a_100015193020_100000211967 [0,2,0,0,0,0|2,0,0]=4 5635 B14R1.155 CCOCC(=O)NCc1cc(no1)Br 240690a_100015193020_100000211967 [0,2,0,0,0,0|2,0,0]=4 5636 B14R1.155 CCOCC(=O)NCc1cc(no1)Br 527a_100015193020_100000211967 [0,2,0,0,0,0|2,0,0]=4 5637 B14R1.155 CCOCC(=O)NCc1cc(no1)C 11a_100000745748_100000211967 [0,2,0,0,0,0|2,0,0]=4 5638 B14R1.155 CCOCC(=O)NCc1cc(no1)C 240690a_100000745748_100000211967 [0,2,0,0,0,0|2,0,0]=4 5639 B14R1.155 CCOCC(=O)NCc1cc(no1)C 527a_100000745748_100000211967 [0,2,0,0,0,0|2,0,0]=4 5640 B14R1.155 CCOCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000211967 [0,2,0,0,0,0|1,0,0]=3 5641 B14R1.155 CCOCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000211967 [0,2,0,0,0,0|1,0,0]=3 5642 B14R1.155 CCOCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000211967 [0,2,0,0,0,0|1,0,0]=3 5643 B14R1.155 CCOCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000211967 [0,2,0,0,0,0|1,0,0]=3 5644 B14R1.155 CCOCC(=O)NCc1ccc(o1)C 11a_100011194323_100000211967 [0,2,0,0,0,0|1,0,0]=3 5645 B14R1.155 CCOCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000211967 [0,2,0,0,0,0|1,0,0]=3 5646 B14R1.155 CCOCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000211967 [0,2,0,0,0,0|1,0,0]=3 5647 B14R1.155 CCOCC(=O)NCc1ccc(o1)C 527a_100011194323_100000211967 [0,2,0,0,0,0|1,0,0]=3 5648 B14R1.155 CCOCC(=O)NCc1ccc(s1)Br 11a_100000737305_100000211967 [0,2,0,0,0,0|1,1,0]=4 5649 B14R1.155 CCOCC(=O)NCc1ccc(s1)Br 1626a_100000737305_100000211967 [0,2,0,0,0,0|1,1,0]=4 5650 B14R1.155 CCOCC(=O)NCc1ccc(s1)Br 240690a_100000737305_100000211967 [0,2,0,0,0,0|1,1,0]=4 5651 B14R1.155 CCOCC(=O)NCc1ccc(s1)Br 527a_100000737305_100000211967 [0,2,0,0,0,0|1,1,0]=4 5652 B14R1.155 CCOCC(=O)NCc1ccc(s1)C 11a_100000238518_100000211967 [0,2,0,0,0,0|1,1,0]=4 5653 B14R1.155 CCOCC(=O)NCc1ccc(s1)C 1626a_100000238518_100000211967 [0,2,0,0,0,0|1,1,0]=4 5654 B14R1.155 CCOCC(=O)NCc1ccc(s1)C 240690a_100000238518_100000211967 [0,2,0,0,0,0|1,1,0]=4 5655 B14R1.155 CCOCC(=O)NCc1ccc(s1)C 527a_100000238518_100000211967 [0,2,0,0,0,0|1,1,0]=4 5656 B14R1.155 CCOCC(=O)NCc1ccc(s1)Cl 11a_100000737310_100000211967 [0,2,0,0,0,0|1,1,0]=4 5657 B14R1.155 CCOCC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100000211967 [0,2,0,0,0,0|1,1,0]=4 5658 B14R1.155 CCOCC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100000211967 [0,2,0,0,0,0|1,1,0]=4 5659 B14R1.155 CCOCC(=O)NCc1ccc(s1)Cl 527a_100000737310_100000211967 [0,2,0,0,0,0|1,1,0]=4 5660 B14R1.155 CCOCC(=O)NCc1ncc(o1)C 11a_100138411809_100000211967 [0,2,0,0,0,0|2,0,0]=4 5661 B14R1.155 CCOCC(=O)NCc1ncc(o1)C 1626a_100138411809_100000211967 [0,2,0,0,0,0|2,0,0]=4 5662 B14R1.155 CCOCC(=O)NCc1ncc(o1)C 240690a_100138411809_100000211967 [0,2,0,0,0,0|2,0,0]=4 5663 B14R1.155 CCOCC(=O)NCc1ncc(o1)C 527a_100138411809_100000211967 [0,2,0,0,0,0|2,0,0]=4 5664 B14R1.155 CCSCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000230394 [0,2,0,0,0,0|1,1,0]=4 5665 B14R1.155 CCSCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000230394 [0,2,0,0,0,0|1,1,0]=4 5666 B14R1.155 CCSCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000230394 [0,2,0,0,0,0|1,1,0]=4 5667 B14R1.155 CCSCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000230394 [0,2,0,0,0,0|1,1,0]=4 5668 B14R1.155 CCSCC(=O)NCc1ccc(o1)C 11a_100011194323_100000230394 [0,2,0,0,0,0|1,1,0]=4 5669 B14R1.155 CCSCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000230394 [0,2,0,0,0,0|1,1,0]=4 5670 B14R1.155 CCSCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000230394 [0,2,0,0,0,0|1,1,0]=4 5671 B14R1.155 CCSCC(=O)NCc1ccc(o1)C 527a_100011194323_100000230394 [0,2,0,0,0,0|1,1,0]=4 5672 B14R1.155 COCCC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000233755 [0,2,0,0,0,0|2,0,0]=4 5673 B14R1.155 COCCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000749529 [0,2,0,0,0,0|2,0,0]=4 5674 B14R1.155 COCCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000749529 [0,2,0,0,0,0|2,0,0]=4 5675 B14R1.155 COCCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000749529 [0,2,0,0,0,0|2,0,0]=4 5676 B14R1.155 COCCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000749529 [0,2,0,0,0,0|2,0,0]=4 5677 B14R1.155 COCCC(=O)NCc1ccc(o1)C 11a_100011194323_100000749529 [0,2,0,0,0,0|2,0,0]=4 5678 B14R1.155 COCCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000749529 [0,2,0,0,0,0|2,0,0]=4 5679 B14R1.155 COCCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000749529 [0,2,0,0,0,0|2,0,0]=4 5680 B14R1.155 COCCC(=O)NCc1ccc(o1)C 527a_100011194323_100000749529 [0,2,0,0,0,0|2,0,0]=4 5681 B14R1.155 CSCCC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000751147 [0,2,0,0,0,0|2,0,0]=4 5682 B14R1.155 CSCCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000174002 [0,2,0,0,0,0|2,0,0]=4 5683 B14R1.155 CSCCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000174002 [0,2,0,0,0,0|2,0,0]=4 5684 B14R1.155 CSCCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000174002 [0,2,0,0,0,0|2,0,0]=4 5685 B14R1.155 CSCCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000174002 [0,2,0,0,0,0|2,0,0]=4 5686 B14R1.155 CSCCC(=O)NCc1ccc(o1)C 11a_100011194323_100000174002 [0,2,0,0,0,0|2,0,0]=4 5687 B14R1.155 CSCCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000174002 [0,2,0,0,0,0|2,0,0]=4 5688 B14R1.155 CSCCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000174002 [0,2,0,0,0,0|2,0,0]=4 5689 B14R1.155 CSCCC(=O)NCc1ccc(o1)C 527a_100011194323_100000174002 [0,2,0,0,0,0|2,0,0]=4 5690 B14R1.155 Cc1ccc(o1)CNC(=O)NCCF 2708a_100011194323_100000724931 [0,2,0,0,0,0|2,0,0]=4 5691 B14R1.155 Cc1ccc(o1)CNC(=O)NCCF 273464a_100011194323_100000724931 [0,2,0,0,0,0|2,0,0]=4 5692 B14R1.155 Cc1ccc(o1)CNC(=O)NCCF 512a_100011194323_100000724931 [0,2,0,0,0,0|2,0,0]=4 5693 B14R1.155 Cc1ccc(o1)CNC(=O)NCCO 2708a_100011194323_100000210304 [0,2,0,0,0,0|2,0,0]=4 5694 B14R1.155 Cc1ccc(o1)CNC(=O)NCCO 273464a_100011194323_100000210304 [0,2,0,0,0,0|2,0,0]=4 5695 B14R1.155 Cc1ccc(o1)CNC(=O)NCCO 512a_100011194323_100000210304 [0,2,0,0,0,0|2,0,0]=4 5696 B14R1.155 O=C(CCCF)CCc1cc(no1)Cl 1458a_100000022696_100011934791 [0,2,0,0,0,0|2,0,0]=4 5697 B14R1.155 O=C(CCCO)CCc1cc(no1)Cl 1458a_100000022696_100011215043 [0,2,0,0,0,0|2,0,0]=4 5698 B14R1.155 O=C(CCc1cc(no1)Cl)NCCF 11a_100000724931_100000022696 [0,2,0,0,0,0|2,0,0]=4 5699 B14R1.155 O=C(CCc1cc(no1)Cl)NCCF 1626a_100000724931_100000022696 [0,2,0,0,0,0|2,0,0]=4 5700 B14R1.155 O=C(CCc1cc(no1)Cl)NCCF 240690a_100000724931_100000022696 [0,2,0,0,0,0|2,0,0]=4 5701 B14R1.155 O=C(CCc1cc(no1)Cl)NCCF 527a_100000724931_100000022696 [0,2,0,0,0,0|2,0,0]=4 5702 B14R1.155 O=C(CCc1cc(no1)Cl)NCCO 240690a_100000210304_100000022696 [0,2,0,0,0,0|2,0,0]=4 5703 B14R1.155 O=C(CCc1cc(no1)Cl)NCCO 527a_100000210304_100000022696 [0,2,0,0,0,0|2,0,0]=4 5704 B14R1.155 O=C(NCCF)NCc1ccc(o1)Br 2708a_100000708654_100000724931 [0,2,0,0,0,0|2,0,0]=4 5705 B14R1.155 O=C(NCCF)NCc1ccc(o1)Br 273464a_100000708654_100000724931 [0,2,0,0,0,0|2,0,0]=4 5706 B14R1.155 O=C(NCCF)NCc1ccc(o1)Br 273464a_100000724931_100000708654 [0,2,0,0,0,0|2,0,0]=4 5707 B14R1.155 O=C(NCCF)NCc1ccc(o1)Br 512a_100000708654_100000724931 [0,2,0,0,0,0|2,0,0]=4 5708 B14R1.155 O=C(NCCO)NCc1ccc(o1)Br 2708a_100000708654_100000210304 [0,2,0,0,0,0|2,0,0]=4 5709 B14R1.155 O=C(NCCO)NCc1ccc(o1)Br 273464a_100000210304_100000708654 [0,2,0,0,0,0|2,0,0]=4 5710 B14R1.155 O=C(NCCO)NCc1ccc(o1)Br 273464a_100000708654_100000210304 [0,2,0,0,0,0|2,0,0]=4 5711 B14R1.155 O=C(NCCO)NCc1ccc(o1)Br 512a_100000708654_100000210304 [0,2,0,0,0,0|2,0,0]=4 5712 B14R1.755 CCC(C)C(=O)CCc1cc(no1)Cl 1458a_100000022696_100000758301 [0,2,0,0,0,0|2,0,0]=4 5713 B14R1.755 CCC(C)C(=O)NCc1ccc(o1)Br 11a_100000708654_100011192722 [0,2,0,0,0,0|2,0,0]=4 5714 B14R1.755 CCC(C)C(=O)NCc1ccc(o1)Br 1626a_100000708654_100011192722 [0,2,0,0,0,0|2,0,0]=4 5715 B14R1.755 CCC(C)C(=O)NCc1ccc(o1)Br 240690a_100000708654_100011192722 [0,2,0,0,0,0|2,0,0]=4 5716 B14R1.755 CCC(C)C(=O)NCc1ccc(o1)Br 527a_100000708654_100011192722 [0,2,0,0,0,0|2,0,0]=4 5717 B14R1.755 CCC(C)C(=O)NCc1ccc(o1)C 11a_100011194323_100011192722 [0,2,0,0,0,0|2,0,0]=4 5718 B14R1.755 CCC(C)C(=O)NCc1ccc(o1)C 1626a_100011194323_100011192722 [0,2,0,0,0,0|2,0,0]=4 5719 B14R1.755 CCC(C)C(=O)NCc1ccc(o1)C 240690a_100011194323_100011192722 [0,2,0,0,0,0|2,0,0]=4 5720 B14R1.755 CCC(C)C(=O)NCc1ccc(o1)C 527a_100011194323_100011192722 [0,2,0,0,0,0|2,0,0]=4 5721 B14R1.755 CCC(O)C(=O)NCc1ccc(o1)Br 240690a_100000708654_100011196387 [0,2,0,0,0,0|2,0,0]=4 5722 B14R1.755 CCC(O)C(=O)NCc1ccc(o1)C 240690a_100011194323_100011196387 [0,2,0,0,0,0|2,0,0]=4 5723 B14R1.755 CCN(C)C(=O)CCc1cc(no1)Cl 11a_100000225621_100000022696 [0,2,0,0,0,0|2,0,0]=4 5724 B14R1.755 CCN(C)C(=O)CCc1cc(no1)Cl 1626a_100000225621_100000022696 [0,2,0,0,0,0|2,0,0]=4 5725 B14R1.755 CCN(C)C(=O)CCc1cc(no1)Cl 240690a_100000225621_100000022696 [0,2,0,0,0,0|2,0,0]=4 5726 B14R1.755 CCN(C)C(=O)CCc1cc(no1)Cl 527a_100000225621_100000022696 [0,2,0,0,0,0|2,0,0]=4 5727 B14R1.755 CCN(C)C(=O)NCc1ccc(o1)Br 2708a_100000708654_100000225621 [0,2,0,0,0,0|2,0,0]=4 5728 B14R1.755 CCN(C)C(=O)NCc1ccc(o1)Br 273464a_100000708654_100000225621 [0,2,0,0,0,0|2,0,0]=4 5729 B14R1.755 CCN(C)C(=O)NCc1ccc(o1)C 2708a_100011194323_100000225621 [0,2,0,0,0,0|2,0,0]=4 5730 B14R1.755 CCN(C)C(=O)NCc1ccc(o1)C 273464a_100011194323_100000225621 [0,2,0,0,0,0|2,0,0]=4 5731 B14R1.2613 C=Cc1cnn(c1)CCC(=O)OCC 271570a_100011290941_100012072402 [0,2,0,0,0,0|2,0,0]=4 5732 B14R1.2613 CCCC(=O)CCc1cc(no1)OC 1458a_100000081952_100000210303 [0,2,0,0,0,0|2,0,0]=4 5733 B14R1.2613 CCCC(=O)CSc1ccc(o1)C#N 62a_100000747444_100000764468 [0,2,0,0,0,0|2,0,0]=4 5734 B14R1.2613 CCCC(=O)CSc1ccc(o1)C=O 62a_100000747444_100000186757 [0,2,0,0,0,0|2,0,0]=4 5735 B14R1.2613 CCCC(=O)CSc1ccc(o1)CN 62a_100000747444_100000708654 [0,2,0,0,0,0|2,0,0]=4 5736 B14R1.2613 CCCC(=O)CSc1ccc(o1)CO 62a_100000246276_100000747444 [0,2,0,0,0,0|2,0,0]=4 5737 B14R1.2613 CCCC(=O)CSc1ccc(o1)CO 62a_100000747444_100000246276 [0,2,0,0,0,0|2,0,0]=4 5738 B14R1.2613 CCNC(=O)CCc1cc(no1)OC 11a_100015525214_100000081952 [0,2,0,0,0,0|2,0,0]=4 5739 B14R1.2613 CCNC(=O)CCc1cc(no1)OC 240690a_100015525214_100000081952 [0,2,0,0,0,0|2,0,0]=4 5740 B14R1.2613 CCNC(=O)CCc1cc(no1)OC 527a_100015525214_100000081952 [0,2,0,0,0,0|2,0,0]=4 5741 B14R1.2613 CCNC(=O)CSc1ccc(o1)C#N 62a_100000183381_100000764468 [0,2,0,0,0,0|2,0,0]=4 5742 B14R1.2613 CCNC(=O)CSc1ccc(o1)C=O 62a_100000183381_100000186757 [0,2,0,0,0,0|2,0,0]=4 5743 B14R1.2613 CCNC(=O)CSc1ccc(o1)CN 62a_100000183381_100000708654 [0,2,0,0,0,0|2,0,0]=4 5744 B14R1.2613 CCNC(=O)CSc1ccc(o1)CO 62a_100000183381_100000246276 [0,2,0,0,0,0|2,0,0]=4 5745 B14R1.2613 CCNC(=O)CSc1ccc(o1)CO 62a_100000246276_100000183381 [0,2,0,0,0,0|2,0,0]=4 5746 B14R1.2613 CCOC(=O)C=Cc1ccc(o1)C#N 271570a_100010199719_100000764468 [0,2,0,0,0,0|0,0,2]=4 5747 B14R1.2613 CCOC(=O)C=Cc1ccc(o1)C=O 271570a_100010199719_100000185145 [0,2,0,0,0,0|0,0,2]=4 5748 B14R1.2613 CCOC(=O)C=Cc1ccc(o1)CN 271570a_100010199719_100000708654 [0,2,0,0,0,0|0,0,2]=4 5749 B14R1.2613 CCOC(=O)C=Cc1ccc(o1)CO 271570a_100010199719_100000246276 [0,2,0,0,0,0|0,0,2]=4 5750 B14R1.2613 CCOC(=O)CCc1nc(no1)CC 270196a_200000212204_100000183558 [0,2,0,0,0,0|2,0,0]=4 5751 B14R1.2613 CCOC(=O)CCc1nc(no1)CF 270196a_200000032654_100000183558 [0,2,0,0,0,0|2,0,0]=4 5752 B14R1.2613 CCOC(=O)CCn1cc(cn1)SC 62a_100012072402_200000210301 [0,2,0,0,0,0|2,0,0]=4 5753 B14R1.2613 CCOC(=O)CCn1cc(cn1)SC 62a_200000210301_100012072402 [0,2,0,0,0,0|2,0,0]=4 5754 B14R1.2613 CCOC(=O)CCn1cc(cn1)S[13CH3] 62a_100012072402_200025704644 [0,2,0,0,0,0|2,0,0]=4 5755 B14R1.2613 CCOC(=O)CCn1cc(cn1)S[13CH3] 62a_200025704644_100012072402 [0,2,0,0,0,0|2,0,0]=4 5756 B14R1.2613 CCOC(=O)CSc1cc(c[nH]1)C=O 62a_100000188475_100009882863 [0,2,0,0,0,0|2,0,0]=4 5757 B14R1.2613 CCOC(=O)CSc1cc(c[nH]1)C=O 62a_100009882863_100000188475 [0,2,0,0,0,0|2,0,0]=4 5758 B14R1.2613 CCOC(=O)CSc1cc(cs1)C=O 62a_100000188475_100000737087 [0,2,0,0,0,0|1,1,0]=4 5759 B14R1.2613 CCOC(=O)CSc1cc(cs1)C=O 62a_100000737087_100000188475 [0,2,0,0,0,0|1,1,0]=4 5760 B14R1.2613 CCOC(=O)CSc1ccc([nH]1)C=O 62a_100000188475_100009875417 [0,2,0,0,0,0|2,0,0]=4 5761 B14R1.2613 CCOC(=O)CSc1ccc(o1)C#N 62a_100000188475_100000764468 [0,2,0,0,0,0|1,0,0]=3 5762 B14R1.2613 CCOC(=O)CSc1ccc(o1)C=O 62a_100000188475_100000186757 [0,2,0,0,0,0|1,0,0]=3 5763 B14R1.2613 CCOC(=O)CSc1ccc(o1)CN 62a_100000188475_100000708654 [0,2,0,0,0,0|1,0,0]=3 5764 B14R1.2613 CCOC(=O)CSc1ccc(o1)CO 62a_100000188475_100000246276 [0,2,0,0,0,0|1,0,0]=3 5765 B14R1.2613 CCOC(=O)CSc1ccc(o1)CO 62a_100000246276_100000188475 [0,2,0,0,0,0|1,0,0]=3 5766 B14R1.2613 CCOC(=O)CSc1ccc(s1)C#N 62a_100000188475_100000737243 [0,2,0,0,0,0|1,1,0]=4 5767 B14R1.2613 CCOC(=O)CSc1ccc(s1)C=O 62a_100000179771_100000188475 [0,2,0,0,0,0|1,1,0]=4 5768 B14R1.2613 CCOC(=O)CSc1ccc(s1)C=O 62a_100000188475_100000179771 [0,2,0,0,0,0|1,1,0]=4 5769 B14R1.2613 CCOC(=O)CSc1ccc(s1)CC 62a_100000188475_100009844052 [0,2,0,0,0,0|1,1,0]=4 5770 B14R1.2613 CCOC(=O)CSc1ccc(s1)CC 62a_100009844052_100000188475 [0,2,0,0,0,0|1,1,0]=4 5771 B14R1.2613 CCOC(=O)CSc1ccc(s1)CN 62a_100000188475_100000737305 [0,2,0,0,0,0|1,1,0]=4 5772 B14R1.2613 CCOC(=O)CSc1ccc(s1)CN 62a_100000737305_100000188475 [0,2,0,0,0,0|1,1,0]=4 5773 B14R1.2613 CCOC(=O)CSc1ccc(s1)CO 62a_100000188475_100000246291 [0,2,0,0,0,0|1,1,0]=4 5774 B14R1.2613 CCOC(=O)CSc1ccc(s1)CO 62a_100000246291_100000188475 [0,2,0,0,0,0|1,1,0]=4 5775 B14R1.3309 CCOC(=O)CSc1sc(cc1C)C 62a_100000188475_100000689295 [0,2,0,0,0,0|1,1,0]=4 5776 B14R1.3309 CCOC(=O)CSc1sc(cc1C)C 62a_100000689295_100000188475 [0,2,0,0,0,0|1,1,0]=4 5777 B14R1.3310 CCOC(=O)CSC1C=C(C(=O)O1)C 62a_100000188475_200009893386 [0,2,0,0,0,0|1,0,1]=4 5778 B14R1.3310 CCOC(=O)CSC1C=C(C(=O)O1)C 62a_200009893386_100000188475 [0,2,0,0,0,0|1,0,1]=4 5779 B14R1.3310 CCOC(=O)CSc1cc(c(s1)C)C 62a_100000188475_100009850898 [0,2,0,0,0,0|1,1,0]=4 5780 B14R1.3310 CCOC(=O)CSc1cc(c(s1)C)C 62a_100009850898_100000188475 [0,2,0,0,0,0|1,1,0]=4 5781 B14R1.4262 CC(C)CC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000210624 [0,2,0,0,0,0|2,0,0]=4 5782 B14R1.4262 CC(C)CC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210554 [0,2,0,0,0,0|2,0,0]=4 5783 B14R1.4262 CC(C)CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210554 [0,2,0,0,0,0|2,0,0]=4 5784 B14R1.4262 CC(C)CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210554 [0,2,0,0,0,0|2,0,0]=4 5785 B14R1.4262 CC(C)CC(=O)NCc1ccc(o1)Br 527a_100000708654_100000210554 [0,2,0,0,0,0|2,0,0]=4 5786 B14R1.4262 CC(C)NC(=O)CCc1cc(no1)Cl 11a_100138425928_100000022696 [0,2,0,0,0,0|2,0,0]=4 5787 B14R1.4262 CC(C)NC(=O)CCc1cc(no1)Cl 1626a_100138425928_100000022696 [0,2,0,0,0,0|2,0,0]=4 5788 B14R1.4262 CC(C)NC(=O)CCc1cc(no1)Cl 240690a_100138425928_100000022696 [0,2,0,0,0,0|2,0,0]=4 5789 B14R1.4262 CC(C)NC(=O)CCc1cc(no1)Cl 527a_100138425928_100000022696 [0,2,0,0,0,0|2,0,0]=4 5790 B14R1.4262 CC(C)NC(=O)NCc1ccc(o1)Br 2708a_100000708654_100138425928 [0,2,0,0,0,0|2,0,0]=4 5791 B14R1.4262 CC(C)NC(=O)NCc1ccc(o1)Br 2708a_100138425928_100000708654 [0,2,0,0,0,0|2,0,0]=4 5792 B14R1.4262 CC(C)NC(=O)NCc1ccc(o1)Br 273464a_100138425928_100000708654 [0,2,0,0,0,0|2,0,0]=4 5793 B14R1.4262 CC(C)NC(=O)NCc1ccc(o1)Br 512a_100000708654_100138425928 [0,2,0,0,0,0|2,0,0]=4 5794 B14R1.4262 CC(C)NC(=O)NCc1ccc(o1)Br 512a_100138425928_100000708654 [0,2,0,0,0,0|2,0,0]=4 5795 B14R1.4262 CC(C)OC(=O)CSc1ccc(s1)Br 62a_100010197418_100011215430 [0,2,0,0,0,0|1,1,0]=4 5796 B14R1.4262 CC(C)OC(=O)CSc1ccc(s1)Br 62a_100011215430_100010197418 [0,2,0,0,0,0|1,1,0]=4 5797 B14R1.4262 CC(O)CC(=O)CCc1cc(no1)Cl 1458a_100000022696_100011218427 [0,2,0,0,0,0|2,0,0]=4 5798 B14R1.4262 C[C@@H](O)CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100011933948 [0,2,0,0,0,0|2,0,0]=4 5799 B14R1.4262 Cc1ccc(o1)CNC(=O)CC(C)C 11a_100011194323_100000210554 [0,2,0,0,0,0|2,0,0]=4 5800 B14R1.4262 Cc1ccc(o1)CNC(=O)CC(C)C 1626a_100011194323_100000210554 [0,2,0,0,0,0|2,0,0]=4 5801 B14R1.4262 Cc1ccc(o1)CNC(=O)CC(C)C 240690a_100011194323_100000210554 [0,2,0,0,0,0|2,0,0]=4 5802 B14R1.4262 Cc1ccc(o1)CNC(=O)CC(C)C 527a_100011194323_100000210554 [0,2,0,0,0,0|2,0,0]=4 5803 B14R1.4262 Cc1ccc(o1)CNC(=O)C[C@@H](C)O 240690a_100011194323_100011933948 [0,2,0,0,0,0|2,0,0]=4 5804 B14R1.4262 Cc1ccc(o1)CNC(=O)NC(C)C 2708a_100011194323_100138425928 [0,2,0,0,0,0|2,0,0]=4 5805 B14R1.4262 Cc1ccc(o1)CNC(=O)NC(C)C 2708a_100138425928_100011194323 [0,2,0,0,0,0|2,0,0]=4 5806 B14R1.4262 Cc1ccc(o1)CNC(=O)NC(C)C 512a_100011194323_100138425928 [0,2,0,0,0,0|2,0,0]=4 5807 B14R1.4262 Cc1ccc(o1)CNC(=O)NC(C)C 512a_100138425928_100011194323 [0,2,0,0,0,0|2,0,0]=4 5808 B14R1.4262 Cc1ccc(s1)SCC(=O)OC(C)C 62a_100000031368_100011215430 [0,2,0,0,0,0|1,1,0]=4 5809 B14R1.4262 Cc1ccc(s1)SCC(=O)OC(C)C 62a_100011215430_100000031368 [0,2,0,0,0,0|1,1,0]=4 5810 B14R1.4262 Cc1csc(c1)SCC(=O)OC(C)C 62a_100009876951_100011215430 [0,2,0,0,0,0|1,1,0]=4 5811 B14R1.4262 Cc1csc(c1)SCC(=O)OC(C)C 62a_100011215430_100009876951 [0,2,0,0,0,0|1,1,0]=4 5812 B14R1.416 CC(C)CC(=O)N(C)Cc1ccco1 11a_100000185268_100000210554 [0,2,0,0,0,0|2,0,0]=4 5813 B14R1.416 CC(C)CC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210554 [0,2,0,0,0,0|2,0,0]=4 5814 B14R1.416 CC(C)CC(=O)N(C)Cc1ccco1 527a_100000185268_100000210554 [0,2,0,0,0,0|2,0,0]=4 5815 B14R1.416 CC(C)NC(=O)C(C)Sc1ccco1 62a_100000195394_100009814098 [0,2,0,0,0,0|2,0,0]=4 5816 B14R1.416 CC(C)NC(=O)C(C)Sc1ccco1 62a_100009814098_100000195394 [0,2,0,0,0,0|2,0,0]=4 5817 B14R1.416 CC(C)NC(=O)N(C)Cc1ccco1 2708a_100138425928_100000185268 [0,2,0,0,0,0|2,0,0]=4 5818 B14R1.416 C[C@@H](O)CC(=O)N(C)Cc1ccco1 240690a_100000185268_100011933948 [0,2,0,0,0,0|2,0,0]=4 5819 B14R1.454 CCC=CC(=O)N(C)Cc1ccco1 11a_100000185268_100000212282 [0,2,0,0,0,0|2,0,0]=4 5820 B14R1.454 CCC=CC(=O)N(C)Cc1ccco1 240690a_100000185268_100000212282 [0,2,0,0,0,0|2,0,0]=4 5821 B14R1.454 CCCCC(=O)N(C)Cc1ccco1 11a_100000185268_100000210183 [0,2,0,0,0,0|2,0,0]=4 5822 B14R1.454 CCCCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210183 [0,2,0,0,0,0|2,0,0]=4 5823 B14R1.454 CCCCC(=O)N(C)Cc1ccco1 527a_100000185268_100000210183 [0,2,0,0,0,0|2,0,0]=4 5824 B14R1.454 CCCNC(=O)C(C)Sc1ccco1 62a_100000230305_100009814098 [0,2,0,0,0,0|2,0,0]=4 5825 B14R1.454 CCCNC(=O)C(C)Sc1ccco1 62a_100009814098_100000230305 [0,2,0,0,0,0|2,0,0]=4 5826 B14R1.454 CCCNC(=O)N(C)Cc1ccco1 2708a_100020643023_100000185268 [0,2,0,0,0,0|2,0,0]=4 5827 B14R1.454 CCCOC(=O)C(C)Sc1ccco1 62a_100000760410_100009814098 [0,2,0,0,0,0|1,0,0]=3 5828 B14R1.454 CCCOC(=O)C(C)Sc1ccco1 62a_100009814098_100000760410 [0,2,0,0,0,0|1,0,0]=3 5829 B14R1.454 CCCOC(=O)C(C)Sc1cccs1 62a_100000760410_100011215356 [0,2,0,0,0,0|1,1,0]=4 5830 B14R1.454 CCCOC(=O)C(C)Sc1cccs1 62a_100011215356_100000760410 [0,2,0,0,0,0|1,1,0]=4 5831 B14R1.454 CCCOC(=O)C(C)Sc1cnco1 62a_100000760410_100020591547 [0,2,0,0,0,0|2,0,0]=4 5832 B14R1.454 CCCOC(=O)C(C)Sc1cnco1 62a_100020591547_100000760410 [0,2,0,0,0,0|2,0,0]=4 5833 B14R1.454 CCCOC(=O)C(C)Sc1ncco1 62a_100000760410_100011787736 [0,2,0,0,0,0|2,0,0]=4 5834 B14R1.454 CCCOC(=O)C(C)Sc1ncco1 62a_100011787736_100000760410 [0,2,0,0,0,0|2,0,0]=4 5835 B14R1.454 CCOCC(=O)N(C)Cc1ccco1 11a_100000185268_100000211967 [0,2,0,0,0,0|1,0,0]=3 5836 B14R1.454 CCOCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000211967 [0,2,0,0,0,0|1,0,0]=3 5837 B14R1.454 CCOCC(=O)N(C)Cc1ccco1 527a_100000185268_100000211967 [0,2,0,0,0,0|1,0,0]=3 5838 B14R1.454 CCOCC(=O)N(C)Cc1cccs1 11a_100000184426_100000211967 [0,2,0,0,0,0|1,1,0]=4 5839 B14R1.454 CCOCC(=O)N(C)Cc1cccs1 240690a_100000184426_100000211967 [0,2,0,0,0,0|1,1,0]=4 5840 B14R1.454 CCOCC(=O)N(C)Cc1cccs1 34a_100121572206_100000185100 [0,2,0,0,0,0|1,1,0]=4 5841 B14R1.454 CCOCC(=O)N(C)Cc1cccs1 527a_100000184426_100000211967 [0,2,0,0,0,0|1,1,0]=4 5842 B14R1.454 CCSCC(=O)N(C)Cc1ccco1 11a_100000185268_100000230394 [0,2,0,0,0,0|1,1,0]=4 5843 B14R1.454 CCSCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000230394 [0,2,0,0,0,0|1,1,0]=4 5844 B14R1.454 CCSCC(=O)N(C)Cc1ccco1 527a_100000185268_100000230394 [0,2,0,0,0,0|1,1,0]=4 5845 B14R1.454 COCCC(=O)N(C)Cc1ccco1 11a_100000185268_100000749529 [0,2,0,0,0,0|2,0,0]=4 5846 B14R1.454 COCCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000749529 [0,2,0,0,0,0|2,0,0]=4 5847 B14R1.454 COCCC(=O)N(C)Cc1ccco1 527a_100000185268_100000749529 [0,2,0,0,0,0|2,0,0]=4 5848 B14R1.454 CSCCC(=O)N(C)Cc1ccco1 11a_100000185268_100000174002 [0,2,0,0,0,0|2,0,0]=4 5849 B14R1.454 CSCCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000174002 [0,2,0,0,0,0|2,0,0]=4 5850 B14R1.454 CSCCC(=O)N(C)Cc1ccco1 527a_100000185268_100000174002 [0,2,0,0,0,0|2,0,0]=4 5851 B14R1.524 CCCC(=O)N(CC)Cc1ccco1 11a_100000739255_100000211992 [0,2,0,0,0,0|2,0,0]=4 5852 B14R1.524 CCCC(=O)N(CC)Cc1ccco1 1626a_100000739255_100000211992 [0,2,0,0,0,0|2,0,0]=4 5853 B14R1.524 CCCC(=O)N(CC)Cc1ccco1 240690a_100000739255_100000211992 [0,2,0,0,0,0|2,0,0]=4 5854 B14R1.524 CCCC(=O)N(CC)Cc1ccco1 527a_100000739255_100000211992 [0,2,0,0,0,0|2,0,0]=4 5855 B14R1.524 CCNC(=O)N(CC)Cc1ccco1 2708a_100015525214_100000739255 [0,2,0,0,0,0|2,0,0]=4 5856 B14R1.524 CCOC(=O)C(C=O)Sc1ccco1 62a_100000053139_100009814098 [0,2,0,0,0,0|1,0,0]=3 5857 B14R1.524 CCOC(=O)C(C=O)Sc1ccco1 62a_100009814098_100000053139 [0,2,0,0,0,0|1,0,0]=3 5858 B14R1.524 CCOC(=O)C(C=O)Sc1cccs1 62a_100000053139_100011215356 [0,2,0,0,0,0|1,1,0]=4 5859 B14R1.524 CCOC(=O)C(C=O)Sc1cccs1 62a_100011215356_100000053139 [0,2,0,0,0,0|1,1,0]=4 5860 B14R1.524 CCOC(=O)C(C=O)Sc1cnco1 62a_100000053139_100020591547 [0,2,0,0,0,0|2,0,0]=4 5861 B14R1.524 CCOC(=O)C(C=O)Sc1cnco1 62a_100020591547_100000053139 [0,2,0,0,0,0|2,0,0]=4 5862 B14R1.524 CCOC(=O)C(C=O)Sc1ncco1 62a_100000053139_100011787736 [0,2,0,0,0,0|2,0,0]=4 5863 B14R1.524 CCOC(=O)C(C=O)Sc1ncco1 62a_100011787736_100000053139 [0,2,0,0,0,0|2,0,0]=4 5864 B14R1.524 CCOC(=O)C(CC)Sc1ccco1 62a_100000212269_100009814098 [0,2,0,0,0,0|1,0,0]=3 5865 B14R1.524 CCOC(=O)C(CC)Sc1ccco1 62a_100009814098_100000212269 [0,2,0,0,0,0|1,0,0]=3 5866 B14R1.524 CCOC(=O)C(CC)Sc1cccs1 62a_100000212269_100011215356 [0,2,0,0,0,0|1,1,0]=4 5867 B14R1.524 CCOC(=O)C(CC)Sc1cccs1 62a_100011215356_100000212269 [0,2,0,0,0,0|1,1,0]=4 5868 B14R1.524 CCOC(=O)C(CC)Sc1cnco1 62a_100000212269_100020591547 [0,2,0,0,0,0|2,0,0]=4 5869 B14R1.524 CCOC(=O)C(CC)Sc1cnco1 62a_100020591547_100000212269 [0,2,0,0,0,0|2,0,0]=4 5870 B14R1.524 CCOC(=O)C(CC)Sc1ncco1 62a_100000212269_100011787736 [0,2,0,0,0,0|2,0,0]=4 5871 B14R1.524 CCOC(=O)C(CC)Sc1ncco1 62a_100011787736_100000212269 [0,2,0,0,0,0|2,0,0]=4 5872 B14R1.524 CCOC(=O)C(SC)Sc1ccco1 62a_100009814098_100009893047 [0,2,0,0,0,0|1,0,0]=3 5873 B14R1.524 CCOC(=O)C(SC)Sc1ccco1 62a_100009893047_100009814098 [0,2,0,0,0,0|1,0,0]=3 5874 B14R1.524 CCOC(=O)C(SC)Sc1cccs1 62a_100009893047_100011215356 [0,2,0,0,0,0|1,1,0]=4 5875 B14R1.524 CCOC(=O)C(SC)Sc1cccs1 62a_100011215356_100009893047 [0,2,0,0,0,0|1,1,0]=4 5876 B14R1.524 CCOC(=O)C(SC)Sc1cnco1 62a_100009893047_100020591547 [0,2,0,0,0,0|2,0,0]=4 5877 B14R1.524 CCOC(=O)C(SC)Sc1cnco1 62a_100020591547_100009893047 [0,2,0,0,0,0|2,0,0]=4 5878 B14R1.524 CCOC(=O)C(SC)Sc1ncco1 62a_100009893047_100011787736 [0,2,0,0,0,0|2,0,0]=4 5879 B14R1.524 CCOC(=O)C(SC)Sc1ncco1 62a_100011787736_100009893047 [0,2,0,0,0,0|2,0,0]=4 5880 B14R1.737 CCC(C)C(=O)N(C)Cc1ccco1 11a_100000185268_100011192722 [0,2,0,0,0,0|2,0,0]=4 5881 B14R1.737 CCC(C)C(=O)N(C)Cc1ccco1 240690a_100000185268_100011192722 [0,2,0,0,0,0|2,0,0]=4 5882 B14R1.737 CCC(C)C(=O)N(C)Cc1ccco1 527a_100000185268_100011192722 [0,2,0,0,0,0|2,0,0]=4 5883 B14R1.737 CCC(O)C(=O)N(C)Cc1ccco1 240690a_100000185268_100011196387 [0,2,0,0,0,0|2,0,0]=4 5884 B14R1.737 CCN(C)C(=O)C(C)Sc1ccco1 62a_100009814098_200012002205 [0,2,0,0,0,0|2,0,0]=4 5885 B14R1.737 CCN(C)C(=O)C(C)Sc1ccco1 62a_200012002205_100009814098 [0,2,0,0,0,0|2,0,0]=4 5886 B14R1.3356 CCCC(=O)N(C)Cc1occc1C 11a_100000734364_100000211992 [0,2,0,0,0,0|2,0,0]=4 5887 B14R1.3356 CCCC(=O)N(C)Cc1occc1C 1626a_100000734364_100000211992 [0,2,0,0,0,0|2,0,0]=4 5888 B14R1.3356 CCCC(=O)N(C)Cc1occc1C 240690a_100000734364_100000211992 [0,2,0,0,0,0|2,0,0]=4 5889 B14R1.3356 CCCC(=O)N(C)Cc1occc1C 527a_100000734364_100000211992 [0,2,0,0,0,0|2,0,0]=4 5890 B14R1.3356 CCNC(=O)N(C)Cc1occc1C 2708a_100015525214_100000734364 [0,2,0,0,0,0|2,0,0]=4 5891 B14R1.3356 CCOC(=O)C(C)Sc1sccc1Br 62a_100011216346_100012361411 [0,2,0,0,0,0|1,1,0]=4 5892 B14R1.3356 CCOC(=O)C(C)Sc1sccc1Br 62a_100012361411_100011216346 [0,2,0,0,0,0|1,1,0]=4 5893 B14R1.3356 CCOC(=O)C(C)Sc1sccc1C 62a_100010247149_100011216346 [0,2,0,0,0,0|1,1,0]=4 5894 B14R1.3356 CCOC(=O)C(C)Sc1sccc1C 62a_100011216346_100010247149 [0,2,0,0,0,0|1,1,0]=4 5895 B14R1.3356 CCOC(=O)C(F)Sc1sccc1Br 62a_100000760018_100012361411 [0,2,0,0,0,0|1,1,0]=4 5896 B14R1.3356 CCOC(=O)C(F)Sc1sccc1Br 62a_100012361411_100000760018 [0,2,0,0,0,0|1,1,0]=4 5897 B14R1.3356 CCOC(=O)C(F)Sc1sccc1C 62a_100000760018_100010247149 [0,2,0,0,0,0|1,1,0]=4 5898 B14R1.3356 CCOC(=O)C(F)Sc1sccc1C 62a_100010247149_100000760018 [0,2,0,0,0,0|1,1,0]=4 5899 B14R1.7217 CCOC(=O)C(C)(C)Sc1ccco1 62a_100009814098_100011216345 [0,2,0,0,0,0|1,0,0]=3 5900 B14R1.7217 CCOC(=O)C(C)(C)Sc1ccco1 62a_100011216345_100009814098 [0,2,0,0,0,0|1,0,0]=3 5901 B14R1.7217 CCOC(=O)C(C)(C)Sc1cccs1 62a_100011215356_100011216345 [0,2,0,0,0,0|1,1,0]=4 5902 B14R1.7217 CCOC(=O)C(C)(C)Sc1cccs1 62a_100011216345_100011215356 [0,2,0,0,0,0|1,1,0]=4 5903 B14R1.7217 CCOC(=O)C(C)(C)Sc1cnco1 62a_100011216345_100020591547 [0,2,0,0,0,0|2,0,0]=4 5904 B14R1.7217 CCOC(=O)C(C)(C)Sc1cnco1 62a_100020591547_100011216345 [0,2,0,0,0,0|2,0,0]=4 5905 B14R1.7217 CCOC(=O)C(C)(C)Sc1ncco1 62a_100011216345_100011787736 [0,2,0,0,0,0|2,0,0]=4 5906 B14R1.7217 CCOC(=O)C(C)(C)Sc1ncco1 62a_100011787736_100011216345 [0,2,0,0,0,0|2,0,0]=4 5907 B14R1.7217 CCOC(=O)C(F)(F)Sc1ccco1 62a_100000210910_100009814098 [0,2,0,0,0,0|1,0,0]=3 5908 B14R1.7217 CCOC(=O)C(F)(F)Sc1ccco1 62a_100009814098_100000210910 [0,2,0,0,0,0|1,0,0]=3 5909 B14R1.7217 CCOC(=O)C(F)(F)Sc1cccs1 62a_100000210910_100011215356 [0,2,0,0,0,0|1,1,0]=4 5910 B14R1.7217 CCOC(=O)C(F)(F)Sc1cccs1 62a_100011215356_100000210910 [0,2,0,0,0,0|1,1,0]=4 5911 B14R1.7217 CCOC(=O)C(F)(F)Sc1cnco1 62a_100000210910_100020591547 [0,2,0,0,0,0|2,0,0]=4 5912 B14R1.7217 CCOC(=O)C(F)(F)Sc1cnco1 62a_100020591547_100000210910 [0,2,0,0,0,0|2,0,0]=4 5913 B14R1.7217 CCOC(=O)C(F)(F)Sc1ncco1 62a_100000210910_100011787736 [0,2,0,0,0,0|2,0,0]=4 5914 B14R1.7217 CCOC(=O)C(F)(F)Sc1ncco1 62a_100011787736_100000210910 [0,2,0,0,0,0|2,0,0]=4 5915 B14R1.86 C#CCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000731252 [0,2,0,0,0,0|2,0,0]=4 5916 B14R1.86 C#CCCCC(=O)CCc1ccco1 1458a_100000185103_100000731252 [0,2,0,0,0,0|1,0,0]=3 5917 B14R1.86 C#CCCCC(=O)CCc1cccs1 1458a_100000185280_100000731252 [0,2,0,0,0,0|1,1,0]=4 5918 B14R1.86 C#CCCCC(=O)CCc1cccs1 1458a_100000690238_100000748579 [0,2,0,0,0,0|1,1,0]=4 5919 B14R1.86 C#CCCCC(=O)NCc1ccco1 11a_100000185738_100000690238 [0,2,0,0,0,0|2,0,0]=4 5920 B14R1.86 C#CCCCC(=O)NCc1ccco1 1626a_100000185738_100000690238 [0,2,0,0,0,0|2,0,0]=4 5921 B14R1.86 C#CCCCC(=O)NCc1ccco1 240690a_100000185738_100000690238 [0,2,0,0,0,0|2,0,0]=4 5922 B14R1.86 C#CCCCC(=O)NCc1ccco1 527a_100000185738_100000690238 [0,2,0,0,0,0|2,0,0]=4 5923 B14R1.86 C#CCCNC(=O)CCc1ccc[nH]1 11a_100000755551_200011998680 [0,2,0,0,0,0|2,0,0]=4 5924 B14R1.86 C#CCCNC(=O)CCc1ccc[nH]1 240690a_100000755551_200011998680 [0,2,0,0,0,0|2,0,0]=4 5925 B14R1.86 C#CCCNC(=O)CCc1ccc[nH]1 527a_100000755551_200011998680 [0,2,0,0,0,0|2,0,0]=4 5926 B14R1.86 C#CCCNC(=O)CCc1ccco1 11a_100000755551_100000185103 [0,2,0,0,0,0|1,0,0]=3 5927 B14R1.86 C#CCCNC(=O)CCc1ccco1 1626a_100000755551_100000185103 [0,2,0,0,0,0|1,0,0]=3 5928 B14R1.86 C#CCCNC(=O)CCc1ccco1 527a_100000755551_100000185103 [0,2,0,0,0,0|1,0,0]=3 5929 B14R1.86 C#CCCNC(=O)CCc1cccs1 11a_100000755551_100000185280 [0,2,0,0,0,0|1,1,0]=4 5930 B14R1.86 C#CCCNC(=O)CCc1cccs1 1626a_100000755551_100000185280 [0,2,0,0,0,0|1,1,0]=4 5931 B14R1.86 C#CCCNC(=O)CCc1cccs1 240690a_100000755551_100000185280 [0,2,0,0,0,0|1,1,0]=4 5932 B14R1.86 C#CCCNC(=O)CCc1cccs1 527a_100000755551_100000185280 [0,2,0,0,0,0|1,1,0]=4 5933 B14R1.86 C#CCCNC(=O)NCc1ccco1 2708a_100000185738_100000755551 [0,2,0,0,0,0|2,0,0]=4 5934 B14R1.86 C#CCCNC(=O)NCc1ccco1 2708a_100000755551_100000185738 [0,2,0,0,0,0|2,0,0]=4 5935 B14R1.86 C#CCCNC(=O)NCc1ccco1 273464a_100000185738_100000755551 [0,2,0,0,0,0|2,0,0]=4 5936 B14R1.86 C#CCCNC(=O)NCc1ccco1 512a_100000185738_100000755551 [0,2,0,0,0,0|2,0,0]=4 5937 B14R1.86 C#CCCNC(=O)NCc1ccco1 512a_100000755551_100000185738 [0,2,0,0,0,0|2,0,0]=4 5938 B14R1.86 C#CCOCC(=O)CCc1cccs1 1458a_100011251226_100000748579 [0,2,0,0,0,0|0,1,1]=4 5939 B14R1.86 C#CCOCC(=O)NCc1ccco1 11a_100000185738_100011251226 [0,2,0,0,0,0|1,0,1]=4 5940 B14R1.86 C#CCOCC(=O)NCc1ccco1 1626a_100000185738_100011251226 [0,2,0,0,0,0|1,0,1]=4 5941 B14R1.86 C#CCOCC(=O)NCc1ccco1 34a_100000210247_100000183421 [0,2,0,0,0,0|1,0,1]=4 5942 B14R1.86 C#CCOCC(=O)NCc1ccco1 527a_100000185738_100011251226 [0,2,0,0,0,0|1,0,1]=4 5943 B14R1.86 C=CCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000757094 [0,2,0,0,0,0|2,0,0]=4 5944 B14R1.86 C=CCCCC(=O)CCc1ccco1 1458a_100000185103_100000757094 [0,2,0,0,0,0|1,0,0]=3 5945 B14R1.86 C=CCCCC(=O)CCc1cccs1 1458a_100000185280_100000757094 [0,2,0,0,0,0|1,1,0]=4 5946 B14R1.86 C=CCCCC(=O)CCc1cccs1 1458a_100000766728_100000748579 [0,2,0,0,0,0|1,1,0]=4 5947 B14R1.86 C=CCCCC(=O)NCc1ccco1 11a_100000185738_100000766728 [0,2,0,0,0,0|2,0,0]=4 5948 B14R1.86 C=CCCCC(=O)NCc1ccco1 1626a_100000185738_100000766728 [0,2,0,0,0,0|2,0,0]=4 5949 B14R1.86 C=CCCCC(=O)NCc1ccco1 240690a_100000185738_100000766728 [0,2,0,0,0,0|2,0,0]=4 5950 B14R1.86 C=CCCCC(=O)NCc1ccco1 527a_100000185738_100000766728 [0,2,0,0,0,0|2,0,0]=4 5951 B14R1.86 C=CCCNC(=O)CCc1ccc[nH]1 11a_100015191253_200011998680 [0,2,0,0,0,0|2,0,0]=4 5952 B14R1.86 C=CCCNC(=O)CCc1ccc[nH]1 240690a_100015191253_200011998680 [0,2,0,0,0,0|2,0,0]=4 5953 B14R1.86 C=CCCNC(=O)CCc1ccc[nH]1 527a_100015191253_200011998680 [0,2,0,0,0,0|2,0,0]=4 5954 B14R1.86 C=CCCNC(=O)CCc1ccco1 11a_100015191253_100000185103 [0,2,0,0,0,0|1,0,0]=3 5955 B14R1.86 C=CCCNC(=O)CCc1ccco1 1626a_100015191253_100000185103 [0,2,0,0,0,0|1,0,0]=3 5956 B14R1.86 C=CCCNC(=O)CCc1ccco1 527a_100015191253_100000185103 [0,2,0,0,0,0|1,0,0]=3 5957 B14R1.86 C=CCCNC(=O)CCc1cccs1 11a_100015191253_100000185280 [0,2,0,0,0,0|1,1,0]=4 5958 B14R1.86 C=CCCNC(=O)CCc1cccs1 1626a_100015191253_100000185280 [0,2,0,0,0,0|1,1,0]=4 5959 B14R1.86 C=CCCNC(=O)CCc1cccs1 240690a_100015191253_100000185280 [0,2,0,0,0,0|1,1,0]=4 5960 B14R1.86 C=CCCNC(=O)CCc1cccs1 527a_100015191253_100000185280 [0,2,0,0,0,0|1,1,0]=4 5961 B14R1.86 C=CCCNC(=O)NCc1ccco1 2708a_100000185738_100015191253 [0,2,0,0,0,0|2,0,0]=4 5962 B14R1.86 C=CCCNC(=O)NCc1ccco1 2708a_100015191253_100000185738 [0,2,0,0,0,0|2,0,0]=4 5963 B14R1.86 C=CCCNC(=O)NCc1ccco1 273464a_100000185738_100015191253 [0,2,0,0,0,0|2,0,0]=4 5964 B14R1.86 C=CCCNC(=O)NCc1ccco1 512a_100000185738_100015191253 [0,2,0,0,0,0|2,0,0]=4 5965 B14R1.86 C=CCCNC(=O)NCc1ccco1 512a_100015191253_100000185738 [0,2,0,0,0,0|2,0,0]=4 5966 B14R1.86 C=CCNNC(=O)CCc1ccco1 22a_100020588587_100000185103 [0,2,0,0,0,0|1,0,1]=4 5967 B14R1.86 C=CCOCC(=O)NCc1ccco1 34a_200000210373_100000183421 [0,2,0,0,0,0|1,0,1]=4 5968 B14R1.86 C=COCCC(=O)CCc1ccco1 1458a_100000185103_100000039644 [0,2,0,0,0,0|0,0,2]=4 5969 B14R1.86 CC#CCNC(=O)CCc1ccc[nH]1 11a_100000685387_200011998680 [0,2,0,0,0,0|2,0,0]=4 5970 B14R1.86 CC#CCNC(=O)CCc1ccc[nH]1 527a_100000685387_200011998680 [0,2,0,0,0,0|2,0,0]=4 5971 B14R1.86 CC#CCNC(=O)CCc1ccco1 11a_100000685387_100000185103 [0,2,0,0,0,0|1,0,0]=3 5972 B14R1.86 CC#CCNC(=O)CCc1ccco1 1626a_100000685387_100000185103 [0,2,0,0,0,0|1,0,0]=3 5973 B14R1.86 CC#CCNC(=O)CCc1ccco1 527a_100000685387_100000185103 [0,2,0,0,0,0|1,0,0]=3 5974 B14R1.86 CC#CCNC(=O)CCc1cccs1 11a_100000685387_100000185280 [0,2,0,0,0,0|1,1,0]=4 5975 B14R1.86 CC#CCNC(=O)CCc1cccs1 1626a_100000685387_100000185280 [0,2,0,0,0,0|1,1,0]=4 5976 B14R1.86 CC#CCNC(=O)CCc1cccs1 527a_100000685387_100000185280 [0,2,0,0,0,0|1,1,0]=4 5977 B14R1.86 CC#CCNC(=O)NCc1ccco1 2708a_100000185738_100000685387 [0,2,0,0,0,0|2,0,0]=4 5978 B14R1.86 CC#CCNC(=O)NCc1ccco1 273464a_100000185738_100000685387 [0,2,0,0,0,0|2,0,0]=4 5979 B14R1.86 CC#CCNC(=O)NCc1ccco1 512a_100000185738_100000685387 [0,2,0,0,0,0|2,0,0]=4 5980 B14R1.86 CC#CCNC(=O)NCc1ccco1 512a_100000685387_100000185738 [0,2,0,0,0,0|2,0,0]=4 5981 B14R1.86 CC/C=C/CC(=O)CCc1cccs1 1458a_100016274230_100000748579 [0,2,0,0,0,0|1,1,0]=4 5982 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 11a_100000185738_100016274230 [0,2,0,0,0,0|2,0,0]=4 5983 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 1626a_100000185738_100016274230 [0,2,0,0,0,0|2,0,0]=4 5984 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 240690a_100000185738_100016274230 [0,2,0,0,0,0|2,0,0]=4 5985 B14R1.86 CC/C=C/CC(=O)NCc1ccco1 527a_100000185738_100016274230 [0,2,0,0,0,0|2,0,0]=4 5986 B14R1.86 CC/C=C\CC(=O)CCc1ccc[nH]1 1458a_200011998680_100103147603 [0,2,0,0,0,0|2,0,0]=4 5987 B14R1.86 CC/C=C\CC(=O)CCc1ccco1 1458a_100000185103_100103147603 [0,2,0,0,0,0|1,0,0]=3 5988 B14R1.86 CC/C=C\CC(=O)CCc1cccs1 1458a_100000185280_100103147603 [0,2,0,0,0,0|1,1,0]=4 5989 B14R1.86 CCC#CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100009813939 [0,2,0,0,0,0|2,0,0]=4 5990 B14R1.86 CCC#CCC(=O)CCc1ccco1 1458a_100000185103_100009813939 [0,2,0,0,0,0|1,0,0]=3 5991 B14R1.86 CCC#CCC(=O)CCc1cccs1 1458a_100000185280_100009813939 [0,2,0,0,0,0|1,1,0]=4 5992 B14R1.86 CCCC#CC(=O)CCc1cccs1 1458a_200011218047_100000748579 [0,2,0,0,0,0|1,1,0]=4 5993 B14R1.86 CCCC#CC(=O)NCc1ccco1 240690a_100000185738_200011218047 [0,2,0,0,0,0|2,0,0]=4 5994 B14R1.86 CCCC=CC(=O)CCc1cccs1 1458a_100000212230_100000748579 [0,2,0,0,0,0|1,1,0]=4 5995 B14R1.86 CCCC=CC(=O)NCc1ccco1 11a_100000185738_100000212230 [0,2,0,0,0,0|2,0,0]=4 5996 B14R1.86 CCCC=CC(=O)NCc1ccco1 1626a_100000185738_100000212230 [0,2,0,0,0,0|2,0,0]=4 5997 B14R1.86 CCCC=CC(=O)NCc1ccco1 240690a_100000185738_100000212230 [0,2,0,0,0,0|2,0,0]=4 5998 B14R1.86 CCCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210326 [0,2,0,0,0,0|2,0,0]=4 5999 B14R1.86 CCCCCC(=O)CCc1ccco1 1458a_100000185103_100000210326 [0,2,0,0,0,0|1,0,0]=3 6000 B14R1.86 CCCCCC(=O)CCc1cccs1 1458a_100000185280_100000210326 [0,2,0,0,0,0|1,1,0]=4 6001 B14R1.86 CCCCCC(=O)CCc1cccs1 1458a_100000212188_100000748579 [0,2,0,0,0,0|1,1,0]=4 6002 B14R1.86 CCCCCC(=O)CSc1ccco1 62a_100009814098_200012276598 [0,2,0,0,0,0|2,0,0]=4 6003 B14R1.86 CCCCCC(=O)CSc1ccco1 62a_200012276598_100009814098 [0,2,0,0,0,0|2,0,0]=4 6004 B14R1.86 CCCCCC(=O)NCc1ccco1 11a_100000185738_100000212188 [0,2,0,0,0,0|2,0,0]=4 6005 B14R1.86 CCCCCC(=O)NCc1ccco1 1626a_100000185738_100000212188 [0,2,0,0,0,0|2,0,0]=4 6006 B14R1.86 CCCCCC(=O)NCc1ccco1 240690a_100000185738_100000212188 [0,2,0,0,0,0|2,0,0]=4 6007 B14R1.86 CCCCCC(=O)NCc1ccco1 527a_100000185738_100000212188 [0,2,0,0,0,0|2,0,0]=4 6008 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 11a_100000102301_200011998680 [0,2,0,0,0,0|2,0,0]=4 6009 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 240690a_100000102301_200011998680 [0,2,0,0,0,0|2,0,0]=4 6010 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 527a_100000102301_200011998680 [0,2,0,0,0,0|2,0,0]=4 6011 B14R1.86 CCCCNC(=O)CCc1ccco1 11a_100000102301_100000185103 [0,2,0,0,0,0|1,0,0]=3 6012 B14R1.86 CCCCNC(=O)CCc1ccco1 1626a_100000102301_100000185103 [0,2,0,0,0,0|1,0,0]=3 6013 B14R1.86 CCCCNC(=O)CCc1ccco1 527a_100000102301_100000185103 [0,2,0,0,0,0|1,0,0]=3 6014 B14R1.86 CCCCNC(=O)CCc1cccs1 11a_100000102301_100000185280 [0,2,0,0,0,0|1,1,0]=4 6015 B14R1.86 CCCCNC(=O)CCc1cccs1 1626a_100000102301_100000185280 [0,2,0,0,0,0|1,1,0]=4 6016 B14R1.86 CCCCNC(=O)CCc1cccs1 240690a_100000102301_100000185280 [0,2,0,0,0,0|1,1,0]=4 6017 B14R1.86 CCCCNC(=O)CCc1cccs1 527a_100000102301_100000185280 [0,2,0,0,0,0|1,1,0]=4 6018 B14R1.86 CCCCNC(=O)CSc1ccco1 62a_100000182744_100009814098 [0,2,0,0,0,0|2,0,0]=4 6019 B14R1.86 CCCCNC(=O)CSc1ccco1 62a_100009814098_100000182744 [0,2,0,0,0,0|2,0,0]=4 6020 B14R1.86 CCCCNC(=O)NCc1ccco1 2708a_100000102301_100000185738 [0,2,0,0,0,0|2,0,0]=4 6021 B14R1.86 CCCCNC(=O)NCc1ccco1 2708a_100000185738_100000102301 [0,2,0,0,0,0|2,0,0]=4 6022 B14R1.86 CCCCNC(=O)NCc1ccco1 273464a_100000185738_100000102301 [0,2,0,0,0,0|2,0,0]=4 6023 B14R1.86 CCCCNC(=O)NCc1ccco1 512a_100000102301_100000185738 [0,2,0,0,0,0|2,0,0]=4 6024 B14R1.86 CCCCNC(=O)NCc1ccco1 512a_100000185738_100000102301 [0,2,0,0,0,0|2,0,0]=4 6025 B14R1.86 CCCCOC(=O)CSc1ccco1 62a_100000211628_100009814098 [0,2,0,0,0,0|1,0,0]=3 6026 B14R1.86 CCCCOC(=O)CSc1ccco1 62a_100009814098_100000211628 [0,2,0,0,0,0|1,0,0]=3 6027 B14R1.86 CCCCOC(=O)CSc1cccs1 62a_100000211628_100011215356 [0,2,0,0,0,0|1,1,0]=4 6028 B14R1.86 CCCCOC(=O)CSc1cccs1 62a_100011215356_100000211628 [0,2,0,0,0,0|1,1,0]=4 6029 B14R1.86 CCCCOC(=O)CSc1cnco1 62a_100000211628_100020591547 [0,2,0,0,0,0|2,0,0]=4 6030 B14R1.86 CCCCOC(=O)CSc1cnco1 62a_100020591547_100000211628 [0,2,0,0,0,0|2,0,0]=4 6031 B14R1.86 CCCCOC(=O)CSc1ncco1 62a_100000211628_100011787736 [0,2,0,0,0,0|2,0,0]=4 6032 B14R1.86 CCCCOC(=O)CSc1ncco1 62a_100011787736_100000211628 [0,2,0,0,0,0|2,0,0]=4 6033 B14R1.86 CCCNCC(=O)NCc1ccco1 2230a_100000741066_100000210303 [0,2,0,0,0,0|2,0,0]=4 6034 B14R1.86 CCCNNC(=O)CCc1ccc[nH]1 22a_100000740057_200011998680 [0,2,0,0,0,0|2,0,0]=4 6035 B14R1.86 CCCNNC(=O)CCc1ccco1 22a_100000740057_100000185103 [0,2,0,0,0,0|1,0,0]=3 6036 B14R1.86 CCCNNC(=O)CCc1cccs1 22a_100000740057_100000185280 [0,2,0,0,0,0|1,1,0]=4 6037 B14R1.86 CCCNNC(=O)NCc1ccco1 273464a_100000185738_100000740057 [0,2,0,0,0,0|2,0,0]=4 6038 B14R1.86 CCCNNC(=O)NCc1ccco1 512a_100000185738_100000740057 [0,2,0,0,0,0|2,0,0]=4 6039 B14R1.86 CCCNNC(=O)NCc1ccco1 512a_100000740057_100000185738 [0,2,0,0,0,0|2,0,0]=4 6040 B14R1.86 CCCOCC(=O)CCc1c[nH]cn1 1458a_100000745993_100020628418 [0,2,0,0,0,0|2,0,0]=4 6041 B14R1.86 CCCOCC(=O)CCc1cccs1 1458a_100000745993_100000748579 [0,2,0,0,0,0|0,1,0]=3 6042 B14R1.86 CCCOCC(=O)CCn1cccc1 1458a_100000745993_200000035178 [0,2,0,0,0,0|2,0,0]=4 6043 B14R1.86 CCCOCC(=O)CCn1cccn1 1458a_100000745993_100000685285 [0,2,0,0,0,0|2,0,0]=4 6044 B14R1.86 CCCOCC(=O)NCc1ccc[nH]1 11a_100000764082_100000745993 [0,2,0,0,0,0|2,0,0]=4 6045 B14R1.86 CCCOCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000745993 [0,2,0,0,0,0|2,0,0]=4 6046 B14R1.86 CCCOCC(=O)NCc1ccc[nH]1 527a_100000764082_100000745993 [0,2,0,0,0,0|2,0,0]=4 6047 B14R1.86 CCCOCC(=O)NCc1ccco1 11a_100000185738_100000745993 [0,2,0,0,0,0|1,0,0]=3 6048 B14R1.86 CCCOCC(=O)NCc1ccco1 1626a_100000185738_100000745993 [0,2,0,0,0,0|1,0,0]=3 6049 B14R1.86 CCCOCC(=O)NCc1ccco1 240690a_100000185738_100000745993 [0,2,0,0,0,0|1,0,0]=3 6050 B14R1.86 CCCOCC(=O)NCc1ccco1 34a_100000210258_100000183421 [0,2,0,0,0,0|1,0,0]=3 6051 B14R1.86 CCCOCC(=O)NCc1ccco1 527a_100000185738_100000745993 [0,2,0,0,0,0|1,0,0]=3 6052 B14R1.86 CCCOCC(=O)NCc1cccs1 11a_100000211653_100000745993 [0,2,0,0,0,0|1,1,0]=4 6053 B14R1.86 CCCOCC(=O)NCc1cccs1 1626a_100000211653_100000745993 [0,2,0,0,0,0|1,1,0]=4 6054 B14R1.86 CCCOCC(=O)NCc1cccs1 240690a_100000211653_100000745993 [0,2,0,0,0,0|1,1,0]=4 6055 B14R1.86 CCCOCC(=O)NCc1cccs1 34a_100000210258_100000182718 [0,2,0,0,0,0|1,1,0]=4 6056 B14R1.86 CCCOCC(=O)NCc1cccs1 527a_100000211653_100000745993 [0,2,0,0,0,0|1,1,0]=4 6057 B14R1.86 CCCOCC(=O)NCc1cnco1 11a_100020634212_100000745993 [0,2,0,0,0,0|2,0,0]=4 6058 B14R1.86 CCCOCC(=O)NCc1cnco1 240690a_100020634212_100000745993 [0,2,0,0,0,0|2,0,0]=4 6059 B14R1.86 CCCOCC(=O)NCc1cnco1 527a_100020634212_100000745993 [0,2,0,0,0,0|2,0,0]=4 6060 B14R1.86 CCCOCC(=O)NCc1ncco1 11a_100016994969_100000745993 [0,2,0,0,0,0|2,0,0]=4 6061 B14R1.86 CCCOCC(=O)NCc1ncco1 1626a_100016994969_100000745993 [0,2,0,0,0,0|2,0,0]=4 6062 B14R1.86 CCCOCC(=O)NCc1ncco1 240690a_100016994969_100000745993 [0,2,0,0,0,0|2,0,0]=4 6063 B14R1.86 CCCOCC(=O)NCc1ncco1 527a_100016994969_100000745993 [0,2,0,0,0,0|2,0,0]=4 6064 B14R1.86 CCCSCC(=O)CCc1cccs1 1458a_100000217233_100000748579 [0,2,0,0,0,0|0,2,0]=4 6065 B14R1.86 CCCSCC(=O)NCc1ccco1 11a_100000185738_100000217233 [0,2,0,0,0,0|1,1,0]=4 6066 B14R1.86 CCCSCC(=O)NCc1ccco1 1626a_100000185738_100000217233 [0,2,0,0,0,0|1,1,0]=4 6067 B14R1.86 CCCSCC(=O)NCc1ccco1 240690a_100000185738_100000217233 [0,2,0,0,0,0|1,1,0]=4 6068 B14R1.86 CCCSCC(=O)NCc1ccco1 527a_100000185738_100000217233 [0,2,0,0,0,0|1,1,0]=4 6069 B14R1.86 CCCSCC(=O)NCc1ccco1 62a_100000183421_100000210303 [0,2,0,0,0,0|1,1,0]=4 6070 B14R1.86 CCCSCC(=O)NCc1ccco1 62a_100000210303_100000183421 [0,2,0,0,0,0|1,1,0]=4 6071 B14R1.86 CCNCCC(=O)NCc1ccco1 2230a_100015525214_200011194439 [0,2,0,0,0,0|2,0,0]=4 6072 B14R1.86 CCOC=CC(=O)CCc1c[nH]cn1 1458a_100016266692_100020628418 [0,2,0,0,0,0|2,0,0]=4 6073 B14R1.86 CCOC=CC(=O)CCc1cccs1 1458a_100016266692_100000748579 [0,2,0,0,0,0|0,1,0]=3 6074 B14R1.86 CCOC=CC(=O)CCn1cccc1 1458a_100016266692_200000035178 [0,2,0,0,0,0|2,0,0]=4 6075 B14R1.86 CCOC=CC(=O)CCn1cccn1 1458a_100016266692_100000685285 [0,2,0,0,0,0|2,0,0]=4 6076 B14R1.86 CCOC=CC(=O)NCc1ccc[nH]1 11a_100000764082_100016266692 [0,2,0,0,0,0|2,0,0]=4 6077 B14R1.86 CCOC=CC(=O)NCc1ccc[nH]1 240690a_100000764082_100016266692 [0,2,0,0,0,0|2,0,0]=4 6078 B14R1.86 CCOC=CC(=O)NCc1ccco1 11a_100000185738_100016266692 [0,2,0,0,0,0|1,0,0]=3 6079 B14R1.86 CCOC=CC(=O)NCc1ccco1 1626a_100000185738_100016266692 [0,2,0,0,0,0|1,0,0]=3 6080 B14R1.86 CCOC=CC(=O)NCc1ccco1 240690a_100000185738_100016266692 [0,2,0,0,0,0|1,0,0]=3 6081 B14R1.86 CCOC=CC(=O)NCc1cccs1 11a_100000211653_100016266692 [0,2,0,0,0,0|1,1,0]=4 6082 B14R1.86 CCOC=CC(=O)NCc1cccs1 1626a_100000211653_100016266692 [0,2,0,0,0,0|1,1,0]=4 6083 B14R1.86 CCOC=CC(=O)NCc1cccs1 240690a_100000211653_100016266692 [0,2,0,0,0,0|1,1,0]=4 6084 B14R1.86 CCOC=CC(=O)NCc1cnco1 11a_100020634212_100016266692 [0,2,0,0,0,0|2,0,0]=4 6085 B14R1.86 CCOC=CC(=O)NCc1cnco1 240690a_100020634212_100016266692 [0,2,0,0,0,0|2,0,0]=4 6086 B14R1.86 CCOC=CC(=O)NCc1ncco1 11a_100016994969_100016266692 [0,2,0,0,0,0|2,0,0]=4 6087 B14R1.86 CCOC=CC(=O)NCc1ncco1 1626a_100016994969_100016266692 [0,2,0,0,0,0|2,0,0]=4 6088 B14R1.86 CCOC=CC(=O)NCc1ncco1 240690a_100016994969_100016266692 [0,2,0,0,0,0|2,0,0]=4 6089 B14R1.86 CCOCCC(=O)CCc1c[nH]cn1 1458a_100000749530_100020628418 [0,2,0,0,0,0|2,0,0]=4 6090 B14R1.86 CCOCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100011215890 [0,2,0,0,0,0|2,0,0]=4 6091 B14R1.86 CCOCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100011215890 [0,2,0,0,0,0|1,0,0]=3 6092 B14R1.86 CCOCCC(=O)CCc1ccco1 1458a_100000185103_100011215890 [0,2,0,0,0,0|0,0,0]=2 6093 B14R1.86 CCOCCC(=O)CCc1cccs1 1458a_100000185280_100011215890 [0,2,0,0,0,0|0,1,0]=3 6094 B14R1.86 CCOCCC(=O)CCc1cccs1 1458a_100000749530_100000748579 [0,2,0,0,0,0|0,1,0]=3 6095 B14R1.86 CCOCCC(=O)CCc1ccsc1 1458a_100000195497_100011215890 [0,2,0,0,0,0|2,0,0]=4 6096 B14R1.86 CCOCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100011215890 [0,2,0,0,0,0|2,0,0]=4 6097 B14R1.86 CCOCCC(=O)CCc1cncs1 1458a_100012184922_100011215890 [0,2,0,0,0,0|1,1,0]=4 6098 B14R1.86 CCOCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100011215890 [0,2,0,0,0,0|2,0,0]=4 6099 B14R1.86 CCOCCC(=O)CCc1nccs1 1458a_100000742873_100011215890 [0,2,0,0,0,0|1,1,0]=4 6100 B14R1.86 CCOCCC(=O)CCn1cccc1 1458a_100000749530_200000035178 [0,2,0,0,0,0|2,0,0]=4 6101 B14R1.86 CCOCCC(=O)CCn1cccc1 1458a_100011196273_100011215890 [0,2,0,0,0,0|2,0,0]=4 6102 B14R1.86 CCOCCC(=O)CCn1cccn1 1458a_100000242649_100011215890 [0,2,0,0,0,0|2,0,0]=4 6103 B14R1.86 CCOCCC(=O)CCn1cccn1 1458a_100000749530_100000685285 [0,2,0,0,0,0|2,0,0]=4 6104 B14R1.86 CCOCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000749530 [0,2,0,0,0,0|2,0,0]=4 6105 B14R1.86 CCOCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000749530 [0,2,0,0,0,0|2,0,0]=4 6106 B14R1.86 CCOCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000749530 [0,2,0,0,0,0|2,0,0]=4 6107 B14R1.86 CCOCCC(=O)NCc1ccco1 11a_100000185738_100000749530 [0,2,0,0,0,0|1,0,0]=3 6108 B14R1.86 CCOCCC(=O)NCc1ccco1 1626a_100000185738_100000749530 [0,2,0,0,0,0|1,0,0]=3 6109 B14R1.86 CCOCCC(=O)NCc1ccco1 240690a_100000185738_100000749530 [0,2,0,0,0,0|1,0,0]=3 6110 B14R1.86 CCOCCC(=O)NCc1ccco1 527a_100000185738_100000749530 [0,2,0,0,0,0|1,0,0]=3 6111 B14R1.86 CCOCCC(=O)NCc1cccs1 11a_100000211653_100000749530 [0,2,0,0,0,0|1,1,0]=4 6112 B14R1.86 CCOCCC(=O)NCc1cccs1 1626a_100000211653_100000749530 [0,2,0,0,0,0|1,1,0]=4 6113 B14R1.86 CCOCCC(=O)NCc1cccs1 240690a_100000211653_100000749530 [0,2,0,0,0,0|1,1,0]=4 6114 B14R1.86 CCOCCC(=O)NCc1cccs1 527a_100000211653_100000749530 [0,2,0,0,0,0|1,1,0]=4 6115 B14R1.86 CCOCCC(=O)NCc1cnco1 11a_100020634212_100000749530 [0,2,0,0,0,0|2,0,0]=4 6116 B14R1.86 CCOCCC(=O)NCc1cnco1 240690a_100020634212_100000749530 [0,2,0,0,0,0|2,0,0]=4 6117 B14R1.86 CCOCCC(=O)NCc1cnco1 527a_100020634212_100000749530 [0,2,0,0,0,0|2,0,0]=4 6118 B14R1.86 CCOCCC(=O)NCc1ncco1 11a_100016994969_100000749530 [0,2,0,0,0,0|2,0,0]=4 6119 B14R1.86 CCOCCC(=O)NCc1ncco1 1626a_100016994969_100000749530 [0,2,0,0,0,0|2,0,0]=4 6120 B14R1.86 CCOCCC(=O)NCc1ncco1 240690a_100016994969_100000749530 [0,2,0,0,0,0|2,0,0]=4 6121 B14R1.86 CCOCCC(=O)NCc1ncco1 527a_100016994969_100000749530 [0,2,0,0,0,0|2,0,0]=4 6122 B14R1.86 CCSCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000757381 [0,2,0,0,0,0|1,1,0]=4 6123 B14R1.86 CCSCCC(=O)CCc1ccco1 1458a_100000185103_100000757381 [0,2,0,0,0,0|0,1,0]=3 6124 B14R1.86 CCSCCC(=O)CCc1cccs1 1458a_100000185280_100000757381 [0,2,0,0,0,0|0,2,0]=4 6125 B14R1.86 CCSCCC(=O)CCc1cccs1 1458a_100000230768_100000748579 [0,2,0,0,0,0|0,2,0]=4 6126 B14R1.86 CCSCCC(=O)NCc1ccco1 11a_100000185738_100000230768 [0,2,0,0,0,0|1,1,0]=4 6127 B14R1.86 CCSCCC(=O)NCc1ccco1 1626a_100000185738_100000230768 [0,2,0,0,0,0|1,1,0]=4 6128 B14R1.86 CCSCCC(=O)NCc1ccco1 240690a_100000185738_100000230768 [0,2,0,0,0,0|1,1,0]=4 6129 B14R1.86 CCSCCC(=O)NCc1ccco1 527a_100000185738_100000230768 [0,2,0,0,0,0|1,1,0]=4 6130 B14R1.86 CCSCCC(=O)NCc1ccco1 62a_100000210202_200011194439 [0,2,0,0,0,0|1,1,0]=4 6131 B14R1.86 CCSCCC(=O)NCc1ccco1 62a_200011194439_100000210202 [0,2,0,0,0,0|1,1,0]=4 6132 B14R1.86 COCC=CC(=O)CCc1cccs1 1458a_100016285016_100000748579 [0,2,0,0,0,0|1,1,0]=4 6133 B14R1.86 COCC=CC(=O)NCc1ccco1 11a_100000185738_100016285016 [0,2,0,0,0,0|2,0,0]=4 6134 B14R1.86 COCC=CC(=O)NCc1ccco1 1626a_100000185738_100016285016 [0,2,0,0,0,0|2,0,0]=4 6135 B14R1.86 COCC=CC(=O)NCc1ccco1 240690a_100000185738_100016285016 [0,2,0,0,0,0|2,0,0]=4 6136 B14R1.86 COCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000740836 [0,2,0,0,0,0|2,0,0]=4 6137 B14R1.86 COCCCC(=O)CCc1ccco1 1458a_100000185103_100000740836 [0,2,0,0,0,0|1,0,0]=3 6138 B14R1.86 COCCCC(=O)CCc1cccs1 1458a_100000185280_100000740836 [0,2,0,0,0,0|1,1,0]=4 6139 B14R1.86 COCCCC(=O)CCc1cccs1 1458a_100000741012_100000748579 [0,2,0,0,0,0|1,1,0]=4 6140 B14R1.86 COCCCC(=O)NCc1ccco1 11a_100000185738_100000741012 [0,2,0,0,0,0|2,0,0]=4 6141 B14R1.86 COCCCC(=O)NCc1ccco1 1626a_100000185738_100000741012 [0,2,0,0,0,0|2,0,0]=4 6142 B14R1.86 COCCCC(=O)NCc1ccco1 240690a_100000185738_100000741012 [0,2,0,0,0,0|2,0,0]=4 6143 B14R1.86 COCCCC(=O)NCc1ccco1 527a_100000185738_100000741012 [0,2,0,0,0,0|2,0,0]=4 6144 B14R1.86 COCCNC(=O)CCc1ccc[nH]1 240690a_100000209980_200011998680 [0,2,0,0,0,0|2,0,0]=4 6145 B14R1.86 COCCNC(=O)CCc1ccc[nH]1 527a_100000209980_200011998680 [0,2,0,0,0,0|2,0,0]=4 6146 B14R1.86 COCCNC(=O)CCc1ccco1 1626a_100000209980_100000185103 [0,2,0,0,0,0|1,0,0]=3 6147 B14R1.86 COCCNC(=O)CCc1ccco1 527a_100000209980_100000185103 [0,2,0,0,0,0|1,0,0]=3 6148 B14R1.86 COCCNC(=O)CCc1cccs1 1626a_100000209980_100000185280 [0,2,0,0,0,0|1,1,0]=4 6149 B14R1.86 COCCNC(=O)CCc1cccs1 240690a_100000209980_100000185280 [0,2,0,0,0,0|1,1,0]=4 6150 B14R1.86 COCCNC(=O)CCc1cccs1 527a_100000209980_100000185280 [0,2,0,0,0,0|1,1,0]=4 6151 B14R1.86 COCCNC(=O)CSc1ccco1 62a_100000183275_100009814098 [0,2,0,0,0,0|2,0,0]=4 6152 B14R1.86 COCCNC(=O)CSc1ccco1 62a_100009814098_100000183275 [0,2,0,0,0,0|2,0,0]=4 6153 B14R1.86 COCCNC(=O)NCc1ccco1 2708a_100000185738_100000209980 [0,2,0,0,0,0|2,0,0]=4 6154 B14R1.86 COCCNC(=O)NCc1ccco1 273464a_100000185738_100000209980 [0,2,0,0,0,0|2,0,0]=4 6155 B14R1.86 COCCOC(=O)CSc1ccco1 62a_100009814098_200000040189 [0,2,0,0,0,0|1,0,0]=3 6156 B14R1.86 COCCOC(=O)CSc1ccco1 62a_200000040189_100009814098 [0,2,0,0,0,0|1,0,0]=3 6157 B14R1.86 COCCOC(=O)CSc1cccs1 62a_100011215356_200000040189 [0,2,0,0,0,0|1,1,0]=4 6158 B14R1.86 COCCOC(=O)CSc1cccs1 62a_200000040189_100011215356 [0,2,0,0,0,0|1,1,0]=4 6159 B14R1.86 COCCOC(=O)CSc1cnco1 62a_100020591547_200000040189 [0,2,0,0,0,0|2,0,0]=4 6160 B14R1.86 COCCOC(=O)CSc1cnco1 62a_200000040189_100020591547 [0,2,0,0,0,0|2,0,0]=4 6161 B14R1.86 COCCOC(=O)CSc1ncco1 62a_100011787736_200000040189 [0,2,0,0,0,0|2,0,0]=4 6162 B14R1.86 COCCOC(=O)CSc1ncco1 62a_200000040189_100011787736 [0,2,0,0,0,0|2,0,0]=4 6163 B14R1.86 COCNCC(=O)NCc1ccco1 2230a_100000741066_100000766300 [0,2,0,0,0,0|2,0,0]=4 6164 B14R1.86 COCSCC(=O)NCc1ccco1 62a_100000183421_100000766300 [0,2,0,0,0,0|1,1,0]=4 6165 B14R1.86 COCSCC(=O)NCc1ccco1 62a_100000766300_100000183421 [0,2,0,0,0,0|1,1,0]=4 6166 B14R1.86 CSCCCC(=O)CCc1cccs1 1458a_100000173376_100000748579 [0,2,0,0,0,0|1,1,0]=4 6167 B14R1.86 CSCCCC(=O)NCc1ccco1 11a_100000185738_100000173376 [0,2,0,0,0,0|2,0,0]=4 6168 B14R1.86 CSCCCC(=O)NCc1ccco1 1626a_100000185738_100000173376 [0,2,0,0,0,0|2,0,0]=4 6169 B14R1.86 CSCCCC(=O)NCc1ccco1 240690a_100000185738_100000173376 [0,2,0,0,0,0|2,0,0]=4 6170 B14R1.86 CSCCCC(=O)NCc1ccco1 527a_100000185738_100000173376 [0,2,0,0,0,0|2,0,0]=4 6171 B14R1.86 CSCCNC(=O)CCc1ccc[nH]1 11a_100020590264_200011998680 [0,2,0,0,0,0|2,0,0]=4 6172 B14R1.86 CSCCNC(=O)CCc1ccc[nH]1 240690a_100020590264_200011998680 [0,2,0,0,0,0|2,0,0]=4 6173 B14R1.86 CSCCNC(=O)CCc1ccc[nH]1 527a_100020590264_200011998680 [0,2,0,0,0,0|2,0,0]=4 6174 B14R1.86 CSCCNC(=O)CCc1ccco1 11a_100020590264_100000185103 [0,2,0,0,0,0|1,0,0]=3 6175 B14R1.86 CSCCNC(=O)CCc1ccco1 1626a_100020590264_100000185103 [0,2,0,0,0,0|1,0,0]=3 6176 B14R1.86 CSCCNC(=O)CCc1ccco1 527a_100020590264_100000185103 [0,2,0,0,0,0|1,0,0]=3 6177 B14R1.86 CSCCNC(=O)CCc1cccs1 11a_100020590264_100000185280 [0,2,0,0,0,0|1,1,0]=4 6178 B14R1.86 CSCCNC(=O)CCc1cccs1 1626a_100020590264_100000185280 [0,2,0,0,0,0|1,1,0]=4 6179 B14R1.86 CSCCNC(=O)CCc1cccs1 240690a_100020590264_100000185280 [0,2,0,0,0,0|1,1,0]=4 6180 B14R1.86 CSCCNC(=O)CCc1cccs1 527a_100020590264_100000185280 [0,2,0,0,0,0|1,1,0]=4 6181 B14R1.86 CSCCNC(=O)NCc1ccco1 2708a_100000185738_100020590264 [0,2,0,0,0,0|2,0,0]=4 6182 B14R1.86 CSCCNC(=O)NCc1ccco1 2708a_100020590264_100000185738 [0,2,0,0,0,0|2,0,0]=4 6183 B14R1.86 CSCCNC(=O)NCc1ccco1 273464a_100000185738_100020590264 [0,2,0,0,0,0|2,0,0]=4 6184 B14R1.86 CSCCNC(=O)NCc1ccco1 512a_100000185738_100020590264 [0,2,0,0,0,0|2,0,0]=4 6185 B14R1.86 CSCCNC(=O)NCc1ccco1 512a_100020590264_100000185738 [0,2,0,0,0,0|2,0,0]=4 6186 B14R1.86 CSCNCC(=O)NCc1ccco1 2230a_100000741066_100011218213 [0,2,0,0,0,0|2,0,0]=4 6187 B14R1.86 CSCSCC(=O)NCc1ccco1 62a_100000183421_100011218213 [0,2,0,0,0,0|1,1,0]=4 6188 B14R1.86 CSCSCC(=O)NCc1ccco1 62a_100011218213_100000183421 [0,2,0,0,0,0|1,1,0]=4 6189 B14R1.86 N#CCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000211468 [0,2,0,0,0,0|2,0,0]=4 6190 B14R1.86 N#CCCCC(=O)CCc1ccco1 1458a_100000185103_100000211468 [0,2,0,0,0,0|1,0,0]=3 6191 B14R1.86 N#CCCCC(=O)CCc1cccs1 1458a_100000075515_100000748579 [0,2,0,0,0,0|1,1,0]=4 6192 B14R1.86 N#CCCCC(=O)CCc1cccs1 1458a_100000185280_100000211468 [0,2,0,0,0,0|1,1,0]=4 6193 B14R1.86 N#CCCCC(=O)NCc1ccco1 11a_100000185738_100000075515 [0,2,0,0,0,0|2,0,0]=4 6194 B14R1.86 N#CCCCC(=O)NCc1ccco1 1626a_100000185738_100000075515 [0,2,0,0,0,0|2,0,0]=4 6195 B14R1.86 N#CCCCC(=O)NCc1ccco1 240690a_100000185738_100000075515 [0,2,0,0,0,0|2,0,0]=4 6196 B14R1.86 N#CCCCC(=O)NCc1ccco1 527a_100000185738_100000075515 [0,2,0,0,0,0|2,0,0]=4 6197 B14R1.86 N#CCCNC(=O)CCc1ccc[nH]1 11a_100000720768_200011998680 [0,2,0,0,0,0|2,0,0]=4 6198 B14R1.86 N#CCCNC(=O)CCc1ccc[nH]1 240690a_100000720768_200011998680 [0,2,0,0,0,0|2,0,0]=4 6199 B14R1.86 N#CCCNC(=O)CCc1ccc[nH]1 527a_100000720768_200011998680 [0,2,0,0,0,0|2,0,0]=4 6200 B14R1.86 N#CCCNC(=O)CCc1ccco1 11a_100000720768_100000185103 [0,2,0,0,0,0|1,0,0]=3 6201 B14R1.86 N#CCCNC(=O)CCc1ccco1 1626a_100000720768_100000185103 [0,2,0,0,0,0|1,0,0]=3 6202 B14R1.86 N#CCCNC(=O)CCc1ccco1 527a_100000720768_100000185103 [0,2,0,0,0,0|1,0,0]=3 6203 B14R1.86 N#CCCNC(=O)CCc1cccs1 11a_100000720768_100000185280 [0,2,0,0,0,0|1,1,0]=4 6204 B14R1.86 N#CCCNC(=O)CCc1cccs1 1626a_100000720768_100000185280 [0,2,0,0,0,0|1,1,0]=4 6205 B14R1.86 N#CCCNC(=O)CCc1cccs1 240690a_100000720768_100000185280 [0,2,0,0,0,0|1,1,0]=4 6206 B14R1.86 N#CCCNC(=O)CCc1cccs1 527a_100000720768_100000185280 [0,2,0,0,0,0|1,1,0]=4 6207 B14R1.86 N#CCCNC(=O)NCc1ccco1 2708a_100000185738_100000720768 [0,2,0,0,0,0|2,0,0]=4 6208 B14R1.86 N#CCCNC(=O)NCc1ccco1 2708a_100000720768_100000185738 [0,2,0,0,0,0|2,0,0]=4 6209 B14R1.86 N#CCCNC(=O)NCc1ccco1 273464a_100000185738_100000720768 [0,2,0,0,0,0|2,0,0]=4 6210 B14R1.86 N#CCCNC(=O)NCc1ccco1 512a_100000185738_100000720768 [0,2,0,0,0,0|2,0,0]=4 6211 B14R1.86 N#CCCNC(=O)NCc1ccco1 512a_100000720768_100000185738 [0,2,0,0,0,0|2,0,0]=4 6212 B14R1.86 NCCOCC(=O)NCc1ccco1 34a_100000210304_100000183421 [0,2,0,0,0,0|1,0,0]=3 6213 B14R1.86 NCCOCC(=O)NCc1cccs1 34a_100000210304_100000182718 [0,2,0,0,0,0|1,1,0]=4 6214 B14R1.86 O=C(CC#CCO)CCc1ccco1 1458a_100000185103_200000047223 [0,2,0,0,0,0|1,0,1]=4 6215 B14R1.86 O=C(CCCCF)CCc1ccc[nH]1 1458a_200011998680_100000729493 [0,2,0,0,0,0|2,0,0]=4 6216 B14R1.86 O=C(CCCCF)CCc1ccco1 1458a_100000185103_100000729493 [0,2,0,0,0,0|1,0,0]=3 6217 B14R1.86 O=C(CCCCF)CCc1cccs1 1458a_100000185280_100000729493 [0,2,0,0,0,0|1,1,0]=4 6218 B14R1.86 O=C(CCCCO)CCc1ccc[nH]1 1458a_200011998680_100000210776 [0,2,0,0,0,0|2,0,0]=4 6219 B14R1.86 O=C(CCCCO)CCc1ccco1 1458a_100000185103_100000210776 [0,2,0,0,0,0|1,0,0]=3 6220 B14R1.86 O=C(CCCCO)CCc1cccs1 1458a_100000185280_100000210776 [0,2,0,0,0,0|1,1,0]=4 6221 B14R1.86 O=C(CCCCO)CCc1cccs1 1458a_100000695505_100000748579 [0,2,0,0,0,0|1,1,0]=4 6222 B14R1.86 O=C(CCCCO)NCc1ccco1 1626a_100000185738_100000695505 [0,2,0,0,0,0|2,0,0]=4 6223 B14R1.86 O=C(CCSCF)NCc1ccco1 62a_100015361967_200011194439 [0,2,0,0,0,0|2,0,0]=4 6224 B14R1.86 O=C(CCSCF)NCc1ccco1 62a_200011194439_100015361967 [0,2,0,0,0,0|2,0,0]=4 6225 B14R1.86 O=C(CCc1c[nH]cn1)COCCO 1458a_100000708028_100020628418 [0,2,0,0,0,0|2,0,0]=4 6226 B14R1.86 O=C(CCc1ccc[nH]1)NCCCF 11a_100015189416_200011998680 [0,2,0,0,0,0|2,0,0]=4 6227 B14R1.86 O=C(CCc1ccc[nH]1)NCCCF 240690a_100015189416_200011998680 [0,2,0,0,0,0|2,0,0]=4 6228 B14R1.86 O=C(CCc1ccc[nH]1)NCCCF 527a_100015189416_200011998680 [0,2,0,0,0,0|2,0,0]=4 6229 B14R1.86 O=C(CCc1ccc[nH]1)NCCCO 240690a_100000182051_200011998680 [0,2,0,0,0,0|2,0,0]=4 6230 B14R1.86 O=C(CCc1ccc[nH]1)NCCCO 527a_100000182051_200011998680 [0,2,0,0,0,0|2,0,0]=4 6231 B14R1.86 O=C(CCc1ccc[nH]1)NNCCO 22a_100000210001_200011998680 [0,2,0,0,0,0|2,0,0]=4 6232 B14R1.86 O=C(CCc1ccco1)NCCCF 11a_100015189416_100000185103 [0,2,0,0,0,0|1,0,0]=3 6233 B14R1.86 O=C(CCc1ccco1)NCCCF 1626a_100015189416_100000185103 [0,2,0,0,0,0|1,0,0]=3 6234 B14R1.86 O=C(CCc1ccco1)NCCCF 527a_100015189416_100000185103 [0,2,0,0,0,0|1,0,0]=3 6235 B14R1.86 O=C(CCc1ccco1)NCCCO 527a_100000182051_100000185103 [0,2,0,0,0,0|1,0,0]=3 6236 B14R1.86 O=C(CCc1ccco1)NNCCO 22a_100000210001_100000185103 [0,2,0,0,0,0|1,0,0]=3 6237 B14R1.86 O=C(CCc1cccs1)COCCO 1458a_100000708028_100000748579 [0,2,0,0,0,0|0,1,0]=3 6238 B14R1.86 O=C(CCc1cccs1)NCCCF 11a_100015189416_100000185280 [0,2,0,0,0,0|1,1,0]=4 6239 B14R1.86 O=C(CCc1cccs1)NCCCF 1626a_100015189416_100000185280 [0,2,0,0,0,0|1,1,0]=4 6240 B14R1.86 O=C(CCc1cccs1)NCCCF 240690a_100015189416_100000185280 [0,2,0,0,0,0|1,1,0]=4 6241 B14R1.86 O=C(CCc1cccs1)NCCCF 527a_100015189416_100000185280 [0,2,0,0,0,0|1,1,0]=4 6242 B14R1.86 O=C(CCc1cccs1)NCCCO 240690a_100000182051_100000185280 [0,2,0,0,0,0|1,1,0]=4 6243 B14R1.86 O=C(CCc1cccs1)NCCCO 527a_100000182051_100000185280 [0,2,0,0,0,0|1,1,0]=4 6244 B14R1.86 O=C(CCc1cccs1)NNCCO 22a_100000210001_100000185280 [0,2,0,0,0,0|1,1,0]=4 6245 B14R1.86 O=C(CCn1cccc1)COCCO 1458a_100000708028_200000035178 [0,2,0,0,0,0|2,0,0]=4 6246 B14R1.86 O=C(CCn1cccn1)COCCO 1458a_100000708028_100000685285 [0,2,0,0,0,0|2,0,0]=4 6247 B14R1.86 O=C(CNCCF)NCc1ccco1 2230a_100000741066_100011217306 [0,2,0,0,0,0|2,0,0]=4 6248 B14R1.86 O=C(CNCCF)NCc1ccco1 34a_100000724931_100000183421 [0,2,0,0,0,0|2,0,0]=4 6249 B14R1.86 O=C(CNCCO)NCc1ccco1 2230a_100000741066_100000211926 [0,2,0,0,0,0|2,0,0]=4 6250 B14R1.86 O=C(CNCCO)NCc1ccco1 2230a_100016997473_100000183421 [0,2,0,0,0,0|2,0,0]=4 6251 B14R1.86 O=C(CNCCO)NCc1ccco1 34a_100016990907_100000183421 [0,2,0,0,0,0|2,0,0]=4 6252 B14R1.86 O=C(COCCBr)NCc1ccco1 34a_100000211926_100000183421 [0,2,0,0,0,0|1,0,0]=3 6253 B14R1.86 O=C(COCCBr)NCc1cccs1 34a_100000211926_100000182718 [0,2,0,0,0,0|1,1,0]=4 6254 B14R1.86 O=C(COCCO)NCc1ccc[nH]1 240690a_100000764082_100000708028 [0,2,0,0,0,0|2,0,0]=4 6255 B14R1.86 O=C(COCCO)NCc1ccco1 1626a_100000185738_100000708028 [0,2,0,0,0,0|1,0,0]=3 6256 B14R1.86 O=C(COCCO)NCc1ccco1 240690a_100000185738_100000708028 [0,2,0,0,0,0|1,0,0]=3 6257 B14R1.86 O=C(COCCO)NCc1cccs1 1626a_100000211653_100000708028 [0,2,0,0,0,0|1,1,0]=4 6258 B14R1.86 O=C(COCCO)NCc1cccs1 240690a_100000211653_100000708028 [0,2,0,0,0,0|1,1,0]=4 6259 B14R1.86 O=C(COCCO)NCc1cnco1 240690a_100020634212_100000708028 [0,2,0,0,0,0|2,0,0]=4 6260 B14R1.86 O=C(COCCO)NCc1ncco1 1626a_100016994969_100000708028 [0,2,0,0,0,0|2,0,0]=4 6261 B14R1.86 O=C(COCCO)NCc1ncco1 240690a_100016994969_100000708028 [0,2,0,0,0,0|2,0,0]=4 6262 B14R1.86 O=C(CSCCF)NCc1ccco1 62a_100000183421_100011217306 [0,2,0,0,0,0|1,1,0]=4 6263 B14R1.86 O=C(CSCCF)NCc1ccco1 62a_100011217306_100000183421 [0,2,0,0,0,0|1,1,0]=4 6264 B14R1.86 O=C(CSCCO)NCc1ccco1 62a_100000183421_100000211926 [0,2,0,0,0,0|1,1,0]=4 6265 B14R1.86 O=C(CSCCO)NCc1ccco1 62a_100000211926_100000183421 [0,2,0,0,0,0|1,1,0]=4 6266 B14R1.86 O=C(NCCCF)NCc1ccco1 2708a_100000185738_100015189416 [0,2,0,0,0,0|2,0,0]=4 6267 B14R1.86 O=C(NCCCF)NCc1ccco1 2708a_100015189416_100000185738 [0,2,0,0,0,0|2,0,0]=4 6268 B14R1.86 O=C(NCCCF)NCc1ccco1 273464a_100000185738_100015189416 [0,2,0,0,0,0|2,0,0]=4 6269 B14R1.86 O=C(NCCCF)NCc1ccco1 512a_100000185738_100015189416 [0,2,0,0,0,0|2,0,0]=4 6270 B14R1.86 O=C(NCCCF)NCc1ccco1 512a_100015189416_100000185738 [0,2,0,0,0,0|2,0,0]=4 6271 B14R1.86 O=C(NCCCO)NCc1ccco1 2708a_100000185738_100000182051 [0,2,0,0,0,0|2,0,0]=4 6272 B14R1.86 O=C(NCCCO)NCc1ccco1 273464a_100000185738_100000182051 [0,2,0,0,0,0|2,0,0]=4 6273 B14R1.86 O=C(NCCCO)NCc1ccco1 512a_100000185738_100000182051 [0,2,0,0,0,0|2,0,0]=4 6274 B14R1.86 O=C(NCc1ccco1)NNCCO 273464a_100000185738_100000210001 [0,2,0,0,0,0|2,0,0]=4 6275 B14R1.86 O=C(NCc1ccco1)NNCCO 512a_100000185738_100000210001 [0,2,0,0,0,0|2,0,0]=4 6276 B14R1.588 C#CC(C)NC(=O)CCc1ccc[nH]1 11a_100000707721_200011998680 [0,2,0,0,0,0|2,0,0]=4 6277 B14R1.588 C#CC(C)NC(=O)CCc1ccc[nH]1 240690a_100000707721_200011998680 [0,2,0,0,0,0|2,0,0]=4 6278 B14R1.588 C#CC(C)NC(=O)CCc1ccc[nH]1 527a_100000707721_200011998680 [0,2,0,0,0,0|2,0,0]=4 6279 B14R1.588 C#CC(C)NC(=O)CCc1ccco1 11a_100000707721_100000185103 [0,2,0,0,0,0|1,0,0]=3 6280 B14R1.588 C#CC(C)NC(=O)CCc1ccco1 1626a_100000707721_100000185103 [0,2,0,0,0,0|1,0,0]=3 6281 B14R1.588 C#CC(C)NC(=O)CCc1ccco1 527a_100000707721_100000185103 [0,2,0,0,0,0|1,0,0]=3 6282 B14R1.588 C#CC(C)NC(=O)CCc1cccs1 11a_100000707721_100000185280 [0,2,0,0,0,0|1,1,0]=4 6283 B14R1.588 C#CC(C)NC(=O)CCc1cccs1 1626a_100000707721_100000185280 [0,2,0,0,0,0|1,1,0]=4 6284 B14R1.588 C#CC(C)NC(=O)CCc1cccs1 240690a_100000707721_100000185280 [0,2,0,0,0,0|1,1,0]=4 6285 B14R1.588 C#CC(C)NC(=O)CCc1cccs1 527a_100000707721_100000185280 [0,2,0,0,0,0|1,1,0]=4 6286 B14R1.588 C#CC(C)NC(=O)NCc1ccco1 2708a_100000185738_100000707721 [0,2,0,0,0,0|2,0,0]=4 6287 B14R1.588 C#CC(C)NC(=O)NCc1ccco1 2708a_100000707721_100000185738 [0,2,0,0,0,0|2,0,0]=4 6288 B14R1.588 C#CC(C)NC(=O)NCc1ccco1 273464a_100000185738_100000707721 [0,2,0,0,0,0|2,0,0]=4 6289 B14R1.588 C#CC(C)NC(=O)NCc1ccco1 512a_100000185738_100000707721 [0,2,0,0,0,0|2,0,0]=4 6290 B14R1.588 C#CC(C)NC(=O)NCc1ccco1 512a_100000707721_100000185738 [0,2,0,0,0,0|2,0,0]=4 6291 B14R1.588 C=CC(C)CC(=O)CCc1cccs1 1458a_100011934298_100000748579 [0,2,0,0,0,0|1,1,0]=4 6292 B14R1.588 C=CC(C)CC(=O)NCc1ccco1 11a_100000185738_100011934298 [0,2,0,0,0,0|2,0,0]=4 6293 B14R1.588 C=CC(C)CC(=O)NCc1ccco1 1626a_100000185738_100011934298 [0,2,0,0,0,0|2,0,0]=4 6294 B14R1.588 C=CC(C)CC(=O)NCc1ccco1 240690a_100000185738_100011934298 [0,2,0,0,0,0|2,0,0]=4 6295 B14R1.588 C=CC(C)CC(=O)NCc1ccco1 527a_100000185738_100011934298 [0,2,0,0,0,0|2,0,0]=4 6296 B14R1.588 CC(C#N)NC(=O)CCc1ccc[nH]1 11a_100000737613_200011998680 [0,2,0,0,0,0|2,0,0]=4 6297 B14R1.588 CC(C#N)NC(=O)CCc1ccc[nH]1 527a_100000737613_200011998680 [0,2,0,0,0,0|2,0,0]=4 6298 B14R1.588 CC(C#N)NC(=O)CCc1ccco1 11a_100000737613_100000185103 [0,2,0,0,0,0|1,0,0]=3 6299 B14R1.588 CC(C#N)NC(=O)CCc1ccco1 1626a_100000737613_100000185103 [0,2,0,0,0,0|1,0,0]=3 6300 B14R1.588 CC(C#N)NC(=O)CCc1ccco1 527a_100000737613_100000185103 [0,2,0,0,0,0|1,0,0]=3 6301 B14R1.588 CC(C#N)NC(=O)CCc1cccs1 11a_100000737613_100000185280 [0,2,0,0,0,0|1,1,0]=4 6302 B14R1.588 CC(C#N)NC(=O)CCc1cccs1 1626a_100000737613_100000185280 [0,2,0,0,0,0|1,1,0]=4 6303 B14R1.588 CC(C#N)NC(=O)CCc1cccs1 527a_100000737613_100000185280 [0,2,0,0,0,0|1,1,0]=4 6304 B14R1.588 CC(C#N)NC(=O)NCc1ccco1 2708a_100000185738_100000737613 [0,2,0,0,0,0|2,0,0]=4 6305 B14R1.588 CC(C#N)NC(=O)NCc1ccco1 2708a_100000737613_100000185738 [0,2,0,0,0,0|2,0,0]=4 6306 B14R1.588 CC(C#N)NC(=O)NCc1ccco1 273464a_100000185738_100000737613 [0,2,0,0,0,0|2,0,0]=4 6307 B14R1.588 CC(C#N)NC(=O)NCc1ccco1 512a_100000185738_100000737613 [0,2,0,0,0,0|2,0,0]=4 6308 B14R1.588 CC(C#N)NC(=O)NCc1ccco1 512a_100000737613_100000185738 [0,2,0,0,0,0|2,0,0]=4 6309 B14R1.588 CCC(=CC(=O)CCc1cccs1)C 1458a_100020758463_100000748579 [0,2,0,0,0,0|1,1,0]=4 6310 B14R1.588 CCC(=CC(=O)NCc1ccco1)C 11a_100000185738_100020758463 [0,2,0,0,0,0|2,0,0]=4 6311 B14R1.588 CCC(=CC(=O)NCc1ccco1)C 1626a_100000185738_100020758463 [0,2,0,0,0,0|2,0,0]=4 6312 B14R1.588 CCC(=CC(=O)NCc1ccco1)C 240690a_100000185738_100020758463 [0,2,0,0,0,0|2,0,0]=4 6313 B14R1.588 CCC(=O)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000747405 [0,2,0,0,0,0|2,0,0]=4 6314 B14R1.588 CCC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000747405 [0,2,0,0,0,0|1,0,0]=3 6315 B14R1.588 CCC(=O)CC(=O)CCc1cccs1 1458a_100000185280_100000747405 [0,2,0,0,0,0|1,1,0]=4 6316 B14R1.588 CCC(=O)CC(=O)NCc1ccco1 1458a_100000210414_100000183421 [0,2,0,0,0,0|2,0,0]=4 6317 B14R1.588 CCC(C)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000748023 [0,2,0,0,0,0|2,0,0]=4 6318 B14R1.588 CCC(C)CC(=O)CCc1ccco1 1458a_100000185103_100000748023 [0,2,0,0,0,0|1,0,0]=3 6319 B14R1.588 CCC(C)CC(=O)CCc1cccs1 1458a_100000185280_100000748023 [0,2,0,0,0,0|1,1,0]=4 6320 B14R1.588 CCC(C)CC(=O)CCc1cccs1 1458a_100000708755_100000748579 [0,2,0,0,0,0|1,1,0]=4 6321 B14R1.588 CCC(C)CC(=O)NCc1ccco1 11a_100000185738_100000708755 [0,2,0,0,0,0|2,0,0]=4 6322 B14R1.588 CCC(C)CC(=O)NCc1ccco1 1626a_100000185738_100000708755 [0,2,0,0,0,0|2,0,0]=4 6323 B14R1.588 CCC(C)CC(=O)NCc1ccco1 240690a_100000185738_100000708755 [0,2,0,0,0,0|2,0,0]=4 6324 B14R1.588 CCC(C)CC(=O)NCc1ccco1 527a_100000185738_100000708755 [0,2,0,0,0,0|2,0,0]=4 6325 B14R1.588 CCC(C)NC(=O)CCc1ccc[nH]1 11a_100000209981_200011998680 [0,2,0,0,0,0|2,0,0]=4 6326 B14R1.588 CCC(C)NC(=O)CCc1ccc[nH]1 240690a_100000209981_200011998680 [0,2,0,0,0,0|2,0,0]=4 6327 B14R1.588 CCC(C)NC(=O)CCc1ccc[nH]1 527a_100000209981_200011998680 [0,2,0,0,0,0|2,0,0]=4 6328 B14R1.588 CCC(C)NC(=O)CCc1ccco1 11a_100000209981_100000185103 [0,2,0,0,0,0|1,0,0]=3 6329 B14R1.588 CCC(C)NC(=O)CCc1ccco1 1626a_100000209981_100000185103 [0,2,0,0,0,0|1,0,0]=3 6330 B14R1.588 CCC(C)NC(=O)CCc1ccco1 527a_100000209981_100000185103 [0,2,0,0,0,0|1,0,0]=3 6331 B14R1.588 CCC(C)NC(=O)CCc1cccs1 11a_100000209981_100000185280 [0,2,0,0,0,0|1,1,0]=4 6332 B14R1.588 CCC(C)NC(=O)CCc1cccs1 1626a_100000209981_100000185280 [0,2,0,0,0,0|1,1,0]=4 6333 B14R1.588 CCC(C)NC(=O)CCc1cccs1 240690a_100000209981_100000185280 [0,2,0,0,0,0|1,1,0]=4 6334 B14R1.588 CCC(C)NC(=O)CCc1cccs1 527a_100000209981_100000185280 [0,2,0,0,0,0|1,1,0]=4 6335 B14R1.588 CCC(C)NC(=O)CSc1ccco1 62a_100000182745_100009814098 [0,2,0,0,0,0|2,0,0]=4 6336 B14R1.588 CCC(C)NC(=O)CSc1ccco1 62a_100009814098_100000182745 [0,2,0,0,0,0|2,0,0]=4 6337 B14R1.588 CCC(C)NC(=O)NCc1ccco1 2708a_100000185738_100000209981 [0,2,0,0,0,0|2,0,0]=4 6338 B14R1.588 CCC(C)NC(=O)NCc1ccco1 2708a_100000209981_100000185738 [0,2,0,0,0,0|2,0,0]=4 6339 B14R1.588 CCC(C)NC(=O)NCc1ccco1 273464a_100000185738_100000209981 [0,2,0,0,0,0|2,0,0]=4 6340 B14R1.588 CCC(C)NC(=O)NCc1ccco1 512a_100000185738_100000209981 [0,2,0,0,0,0|2,0,0]=4 6341 B14R1.588 CCC(C)NC(=O)NCc1ccco1 512a_100000209981_100000185738 [0,2,0,0,0,0|2,0,0]=4 6342 B14R1.588 CCC(O)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100011218378 [0,2,0,0,0,0|2,0,0]=4 6343 B14R1.588 CCC(O)CC(=O)CCc1ccco1 1458a_100000185103_100011218378 [0,2,0,0,0,0|1,0,0]=3 6344 B14R1.588 CCC(O)CC(=O)CCc1cccs1 1458a_100000185280_100011218378 [0,2,0,0,0,0|1,1,0]=4 6345 B14R1.588 CCC(O)CC(=O)CCc1cccs1 1458a_100011667805_100000748579 [0,2,0,0,0,0|1,1,0]=4 6346 B14R1.588 CCC(O)CC(=O)NCc1ccco1 1626a_100000185738_100011667805 [0,2,0,0,0,0|2,0,0]=4 6347 B14R1.588 CCC(O)CC(=O)NCc1ccco1 240690a_100000185738_100011667805 [0,2,0,0,0,0|2,0,0]=4 6348 B14R1.588 CCN(C)CC(=O)CCc1cccs1 1458a_100116209913_100000748579 [0,2,0,0,0,0|1,1,0]=4 6349 B14R1.588 CCN(C)CC(=O)NCc1ccco1 2230a_100000225621_100000183421 [0,2,0,0,0,0|2,0,0]=4 6350 B14R1.588 CCN(C)CC(=O)NCc1ccco1 240690a_100000185738_100116209913 [0,2,0,0,0,0|2,0,0]=4 6351 B14R1.588 CCN(C)CC(=O)NCc1ccco1 269982a_100000225621_100000183421 [0,2,0,0,0,0|2,0,0]=4 6352 B14R1.588 CCN(C)CC(=O)NCc1ccco1 527a_100000185738_100116209913 [0,2,0,0,0,0|2,0,0]=4 6353 B14R1.588 CC[C@H](C)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100009816398 [0,2,0,0,0,0|2,0,0]=4 6354 B14R1.588 CC[C@H](C)CC(=O)CCc1ccco1 1458a_100000185103_100009816398 [0,2,0,0,0,0|1,0,0]=3 6355 B14R1.588 CC[C@H](C)CC(=O)CCc1cccs1 1458a_100000185280_100009816398 [0,2,0,0,0,0|1,1,0]=4 6356 B14R1.588 CNC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000183359 [0,2,0,0,0,0|1,0,1]=4 6357 B14R1.588 COC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000747449 [0,2,0,0,0,0|1,0,1]=4 6358 B14R1.588 C[C@@H](CO)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000059175 [0,2,0,0,0,0|2,0,0]=4 6359 B14R1.588 C[C@@H](CO)CC(=O)CCc1ccco1 1458a_100000185103_100000059175 [0,2,0,0,0,0|1,0,0]=3 6360 B14R1.588 C[C@@H](CO)CC(=O)CCc1cccs1 1458a_100000185280_100000059175 [0,2,0,0,0,0|1,1,0]=4 6361 B14R1.588 C[C@H](CF)NC(=O)CCc1ccc[nH]1 11a_100102880703_200011998680 [0,2,0,0,0,0|2,0,0]=4 6362 B14R1.588 C[C@H](CF)NC(=O)CCc1ccc[nH]1 240690a_100102880703_200011998680 [0,2,0,0,0,0|2,0,0]=4 6363 B14R1.588 C[C@H](CF)NC(=O)CCc1ccc[nH]1 527a_100102880703_200011998680 [0,2,0,0,0,0|2,0,0]=4 6364 B14R1.588 C[C@H](CF)NC(=O)CCc1ccco1 11a_100102880703_100000185103 [0,2,0,0,0,0|1,0,0]=3 6365 B14R1.588 C[C@H](CF)NC(=O)CCc1ccco1 1626a_100102880703_100000185103 [0,2,0,0,0,0|1,0,0]=3 6366 B14R1.588 C[C@H](CF)NC(=O)CCc1ccco1 527a_100102880703_100000185103 [0,2,0,0,0,0|1,0,0]=3 6367 B14R1.588 C[C@H](CF)NC(=O)CCc1cccs1 11a_100102880703_100000185280 [0,2,0,0,0,0|1,1,0]=4 6368 B14R1.588 C[C@H](CF)NC(=O)CCc1cccs1 1626a_100102880703_100000185280 [0,2,0,0,0,0|1,1,0]=4 6369 B14R1.588 C[C@H](CF)NC(=O)CCc1cccs1 240690a_100102880703_100000185280 [0,2,0,0,0,0|1,1,0]=4 6370 B14R1.588 C[C@H](CF)NC(=O)CCc1cccs1 527a_100102880703_100000185280 [0,2,0,0,0,0|1,1,0]=4 6371 B14R1.588 C[C@H](CF)NC(=O)NCc1ccco1 2708a_100000185738_100102880703 [0,2,0,0,0,0|2,0,0]=4 6372 B14R1.588 C[C@H](CF)NC(=O)NCc1ccco1 273464a_100000185738_100102880703 [0,2,0,0,0,0|2,0,0]=4 6373 B14R1.588 C[C@H](CF)NC(=O)NCc1ccco1 512a_100000185738_100102880703 [0,2,0,0,0,0|2,0,0]=4 6374 B14R1.588 C[C@H](CF)NC(=O)NCc1ccco1 512a_100102880703_100000185738 [0,2,0,0,0,0|2,0,0]=4 6375 B14R1.588 C[C@H](CO)NC(=O)CCc1ccc[nH]1 240690a_100000737577_200011998680 [0,2,0,0,0,0|2,0,0]=4 6376 B14R1.588 C[C@H](CO)NC(=O)CCc1ccc[nH]1 527a_100000737577_200011998680 [0,2,0,0,0,0|2,0,0]=4 6377 B14R1.588 C[C@H](CO)NC(=O)CCc1ccco1 527a_100000737577_100000185103 [0,2,0,0,0,0|1,0,0]=3 6378 B14R1.588 C[C@H](CO)NC(=O)CCc1cccs1 240690a_100000737577_100000185280 [0,2,0,0,0,0|1,1,0]=4 6379 B14R1.588 C[C@H](CO)NC(=O)CCc1cccs1 527a_100000737577_100000185280 [0,2,0,0,0,0|1,1,0]=4 6380 B14R1.588 C[C@H](CO)NC(=O)NCc1ccco1 2708a_100000185738_100000737577 [0,2,0,0,0,0|2,0,0]=4 6381 B14R1.588 C[C@H](CO)NC(=O)NCc1ccco1 512a_100000185738_100000737577 [0,2,0,0,0,0|2,0,0]=4 6382 B14R1.588 C[C@H](CO)NC(=O)NCc1ccco1 512a_100000737577_100000185738 [0,2,0,0,0,0|2,0,0]=4 6383 B14R1.916 CCCOC(=O)CSc1sccc1Br 62a_100012361411_200011215008 [0,2,0,0,0,0|1,1,0]=4 6384 B14R1.916 CCCOC(=O)CSc1sccc1Br 62a_200011215008_100012361411 [0,2,0,0,0,0|1,1,0]=4 6385 B14R1.916 CCCOC(=O)CSc1sccc1C 62a_100010247149_200011215008 [0,2,0,0,0,0|1,1,0]=4 6386 B14R1.916 CCCOC(=O)CSc1sccc1C 62a_200011215008_100010247149 [0,2,0,0,0,0|1,1,0]=4 6387 B14R1.916 CCOCC(=O)CCc1scnc1C 1458a_100000211967_100000057103 [0,2,0,0,0,0|1,1,0]=4 6388 B14R1.916 CCOCC(=O)CCn1nccc1C 1458a_100000211967_100011934269 [0,2,0,0,0,0|2,0,0]=4 6389 B14R1.916 CCOCC(=O)NCc1cccn1C 11a_100011219357_100000211967 [0,2,0,0,0,0|2,0,0]=4 6390 B14R1.916 CCOCC(=O)NCc1cccn1C 1626a_100011219357_100000211967 [0,2,0,0,0,0|2,0,0]=4 6391 B14R1.916 CCOCC(=O)NCc1cccn1C 240690a_100011219357_100000211967 [0,2,0,0,0,0|2,0,0]=4 6392 B14R1.916 CCOCC(=O)NCc1cccn1C 527a_100011219357_100000211967 [0,2,0,0,0,0|2,0,0]=4 6393 B14R1.916 CCOCC(=O)NCc1sccc1C 11a_100000238519_100000211967 [0,2,0,0,0,0|1,1,0]=4 6394 B14R1.916 CCOCC(=O)NCc1sccc1C 1626a_100000238519_100000211967 [0,2,0,0,0,0|1,1,0]=4 6395 B14R1.916 CCOCC(=O)NCc1sccc1C 240690a_100000238519_100000211967 [0,2,0,0,0,0|1,1,0]=4 6396 B14R1.916 CCOCC(=O)NCc1sccc1C 527a_100000238519_100000211967 [0,2,0,0,0,0|1,1,0]=4 6397 B14R1.916 CCOCC(=O)NCc1sccc1Cl 11a_100011934584_100000211967 [0,2,0,0,0,0|1,1,0]=4 6398 B14R1.916 CCOCC(=O)NCc1sccc1Cl 1626a_100011934584_100000211967 [0,2,0,0,0,0|1,1,0]=4 6399 B14R1.916 CCOCC(=O)NCc1sccc1Cl 240690a_100011934584_100000211967 [0,2,0,0,0,0|1,1,0]=4 6400 B14R1.916 CCOCC(=O)NCc1sccc1Cl 527a_100011934584_100000211967 [0,2,0,0,0,0|1,1,0]=4 6401 B14R1.4526 C=C(C)CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000730704 [0,2,0,0,0,0|2,0,0]=4 6402 B14R1.4526 C=C(C)CCC(=O)CCc1ccco1 1458a_100000185103_100000730704 [0,2,0,0,0,0|1,0,0]=3 6403 B14R1.4526 C=C(C)CCC(=O)CCc1cccs1 1458a_100000185280_100000730704 [0,2,0,0,0,0|1,1,0]=4 6404 B14R1.4526 C=C(C)CCC(=O)CCc1cccs1 1458a_200000688413_100000748579 [0,2,0,0,0,0|1,1,0]=4 6405 B14R1.4526 C=C(C)CCC(=O)NCc1ccco1 11a_100000185738_200000688413 [0,2,0,0,0,0|2,0,0]=4 6406 B14R1.4526 C=C(C)CCC(=O)NCc1ccco1 1626a_100000185738_200000688413 [0,2,0,0,0,0|2,0,0]=4 6407 B14R1.4526 C=C(C)CCC(=O)NCc1ccco1 240690a_100000185738_200000688413 [0,2,0,0,0,0|2,0,0]=4 6408 B14R1.4526 C=C(C)CCC(=O)NCc1ccco1 527a_100000185738_200000688413 [0,2,0,0,0,0|2,0,0]=4 6409 B14R1.4526 C=C(C)CNC(=O)CCc1ccc[nH]1 11a_100000765925_200011998680 [0,2,0,0,0,0|2,0,0]=4 6410 B14R1.4526 C=C(C)CNC(=O)CCc1ccc[nH]1 240690a_100000765925_200011998680 [0,2,0,0,0,0|2,0,0]=4 6411 B14R1.4526 C=C(C)CNC(=O)CCc1ccc[nH]1 527a_100000765925_200011998680 [0,2,0,0,0,0|2,0,0]=4 6412 B14R1.4526 C=C(C)CNC(=O)CCc1ccco1 11a_100000765925_100000185103 [0,2,0,0,0,0|1,0,0]=3 6413 B14R1.4526 C=C(C)CNC(=O)CCc1ccco1 1626a_100000765925_100000185103 [0,2,0,0,0,0|1,0,0]=3 6414 B14R1.4526 C=C(C)CNC(=O)CCc1ccco1 527a_100000765925_100000185103 [0,2,0,0,0,0|1,0,0]=3 6415 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 11a_100000765925_100000185280 [0,2,0,0,0,0|1,1,0]=4 6416 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 1626a_100000765925_100000185280 [0,2,0,0,0,0|1,1,0]=4 6417 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 240690a_100000765925_100000185280 [0,2,0,0,0,0|1,1,0]=4 6418 B14R1.4526 C=C(C)CNC(=O)CCc1cccs1 527a_100000765925_100000185280 [0,2,0,0,0,0|1,1,0]=4 6419 B14R1.4526 C=C(C)CNC(=O)NCc1ccco1 2708a_100000185738_100000765925 [0,2,0,0,0,0|2,0,0]=4 6420 B14R1.4526 C=C(C)CNC(=O)NCc1ccco1 2708a_100000765925_100000185738 [0,2,0,0,0,0|2,0,0]=4 6421 B14R1.4526 C=C(C)CNC(=O)NCc1ccco1 273464a_100000185738_100000765925 [0,2,0,0,0,0|2,0,0]=4 6422 B14R1.4526 C=C(C)CNC(=O)NCc1ccco1 512a_100000185738_100000765925 [0,2,0,0,0,0|2,0,0]=4 6423 B14R1.4526 C=C(C)CNC(=O)NCc1ccco1 512a_100000765925_100000185738 [0,2,0,0,0,0|2,0,0]=4 6424 B14R1.4526 CC(=CCC(=O)CCc1ccco1)C 1458a_100000185103_100000761012 [0,2,0,0,0,0|1,0,1]=4 6425 B14R1.4526 CC(=O)NNC(=O)CCc1ccco1 22a_100000189765_100000185103 [0,2,0,0,0,0|1,0,1]=4 6426 B14R1.4526 CC(=O)OCC(=O)CCc1cccs1 1458a_100000183556_100000748579 [0,2,0,0,0,0|0,1,1]=4 6427 B14R1.4526 CC(=O)OCC(=O)CSc1ccco1 62a_100000036994_100009814098 [0,2,0,0,0,0|1,0,1]=4 6428 B14R1.4526 CC(=O)OCC(=O)CSc1ccco1 62a_100009814098_100000036994 [0,2,0,0,0,0|1,0,1]=4 6429 B14R1.4526 CC(=O)OCC(=O)NCc1ccco1 1626a_100000185738_100000183556 [0,2,0,0,0,0|1,0,1]=4 6430 B14R1.4526 CC(=O)OCC(=O)NCc1ccco1 240690a_100000185738_100000183556 [0,2,0,0,0,0|1,0,1]=4 6431 B14R1.4526 CC(=O)OCC(=O)NCc1ccco1 527a_100000185738_100000183556 [0,2,0,0,0,0|1,0,1]=4 6432 B14R1.4526 CC(C)C=CC(=O)CCc1cccs1 1458a_100016268746_100000748579 [0,2,0,0,0,0|1,1,0]=4 6433 B14R1.4526 CC(C)C=CC(=O)NCc1ccco1 11a_100000185738_100016268746 [0,2,0,0,0,0|2,0,0]=4 6434 B14R1.4526 CC(C)C=CC(=O)NCc1ccco1 1626a_100000185738_100016268746 [0,2,0,0,0,0|2,0,0]=4 6435 B14R1.4526 CC(C)C=CC(=O)NCc1ccco1 240690a_100000185738_100016268746 [0,2,0,0,0,0|2,0,0]=4 6436 B14R1.4526 CC(C)CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210312 [0,2,0,0,0,0|2,0,0]=4 6437 B14R1.4526 CC(C)CCC(=O)CCc1ccco1 1458a_100000185103_100000210312 [0,2,0,0,0,0|1,0,0]=3 6438 B14R1.4526 CC(C)CCC(=O)CCc1cccs1 1458a_100000181311_100000748579 [0,2,0,0,0,0|1,1,0]=4 6439 B14R1.4526 CC(C)CCC(=O)CCc1cccs1 1458a_100000185280_100000210312 [0,2,0,0,0,0|1,1,0]=4 6440 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 11a_100000185738_100000181311 [0,2,0,0,0,0|2,0,0]=4 6441 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 1626a_100000185738_100000181311 [0,2,0,0,0,0|2,0,0]=4 6442 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 240690a_100000185738_100000181311 [0,2,0,0,0,0|2,0,0]=4 6443 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 527a_100000185738_100000181311 [0,2,0,0,0,0|2,0,0]=4 6444 B14R1.4526 CC(C)CNC(=O)CCc1ccc[nH]1 11a_100000210953_200011998680 [0,2,0,0,0,0|2,0,0]=4 6445 B14R1.4526 CC(C)CNC(=O)CCc1ccc[nH]1 240690a_100000210953_200011998680 [0,2,0,0,0,0|2,0,0]=4 6446 B14R1.4526 CC(C)CNC(=O)CCc1ccc[nH]1 527a_100000210953_200011998680 [0,2,0,0,0,0|2,0,0]=4 6447 B14R1.4526 CC(C)CNC(=O)CCc1ccco1 11a_100000210953_100000185103 [0,2,0,0,0,0|1,0,0]=3 6448 B14R1.4526 CC(C)CNC(=O)CCc1ccco1 1626a_100000210953_100000185103 [0,2,0,0,0,0|1,0,0]=3 6449 B14R1.4526 CC(C)CNC(=O)CCc1ccco1 527a_100000210953_100000185103 [0,2,0,0,0,0|1,0,0]=3 6450 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 11a_100000210953_100000185280 [0,2,0,0,0,0|1,1,0]=4 6451 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 1626a_100000210953_100000185280 [0,2,0,0,0,0|1,1,0]=4 6452 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 240690a_100000210953_100000185280 [0,2,0,0,0,0|1,1,0]=4 6453 B14R1.4526 CC(C)CNC(=O)CCc1cccs1 527a_100000210953_100000185280 [0,2,0,0,0,0|1,1,0]=4 6454 B14R1.4526 CC(C)CNC(=O)CSc1ccco1 62a_100000183291_100009814098 [0,2,0,0,0,0|2,0,0]=4 6455 B14R1.4526 CC(C)CNC(=O)CSc1ccco1 62a_100009814098_100000183291 [0,2,0,0,0,0|2,0,0]=4 6456 B14R1.4526 CC(C)CNC(=O)NCc1ccco1 2708a_100000185738_100000210953 [0,2,0,0,0,0|2,0,0]=4 6457 B14R1.4526 CC(C)CNC(=O)NCc1ccco1 2708a_100000210953_100000185738 [0,2,0,0,0,0|2,0,0]=4 6458 B14R1.4526 CC(C)CNC(=O)NCc1ccco1 273464a_100000185738_100000210953 [0,2,0,0,0,0|2,0,0]=4 6459 B14R1.4526 CC(C)CNC(=O)NCc1ccco1 512a_100000185738_100000210953 [0,2,0,0,0,0|2,0,0]=4 6460 B14R1.4526 CC(C)CNC(=O)NCc1ccco1 512a_100000210953_100000185738 [0,2,0,0,0,0|2,0,0]=4 6461 B14R1.4526 CC(C)NCC(=O)NCc1ccco1 2230a_100000741066_100000210206 [0,2,0,0,0,0|2,0,0]=4 6462 B14R1.4526 CC(C)NCC(=O)NCc1ccco1 2230a_100138425928_100000183421 [0,2,0,0,0,0|2,0,0]=4 6463 B14R1.4526 CC(C)NCC(=O)NCc1ccco1 34a_100138425928_100000183421 [0,2,0,0,0,0|2,0,0]=4 6464 B14R1.4526 CC(C)NNC(=O)CCc1ccc[nH]1 22a_100000741168_200011998680 [0,2,0,0,0,0|2,0,0]=4 6465 B14R1.4526 CC(C)NNC(=O)CCc1ccco1 22a_100000741168_100000185103 [0,2,0,0,0,0|1,0,0]=3 6466 B14R1.4526 CC(C)NNC(=O)CCc1cccs1 22a_100000741168_100000185280 [0,2,0,0,0,0|1,1,0]=4 6467 B14R1.4526 CC(C)NNC(=O)NCc1ccco1 273464a_100000185738_100000741168 [0,2,0,0,0,0|2,0,0]=4 6468 B14R1.4526 CC(C)NNC(=O)NCc1ccco1 512a_100000185738_100000741168 [0,2,0,0,0,0|2,0,0]=4 6469 B14R1.4526 CC(C)NNC(=O)NCc1ccco1 512a_100000741168_100000185738 [0,2,0,0,0,0|2,0,0]=4 6470 B14R1.4526 CC(C)OCC(=O)CCc1c[nH]cn1 1458a_100000745533_100020628418 [0,2,0,0,0,0|2,0,0]=4 6471 B14R1.4526 CC(C)OCC(=O)CCc1cccs1 1458a_100000745533_100000748579 [0,2,0,0,0,0|0,1,0]=3 6472 B14R1.4526 CC(C)OCC(=O)CCn1cccc1 1458a_100000745533_200000035178 [0,2,0,0,0,0|2,0,0]=4 6473 B14R1.4526 CC(C)OCC(=O)CCn1cccn1 1458a_100000745533_100000685285 [0,2,0,0,0,0|2,0,0]=4 6474 B14R1.4526 CC(C)OCC(=O)NCc1ccc[nH]1 11a_100000764082_100000745533 [0,2,0,0,0,0|2,0,0]=4 6475 B14R1.4526 CC(C)OCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000745533 [0,2,0,0,0,0|2,0,0]=4 6476 B14R1.4526 CC(C)OCC(=O)NCc1ccc[nH]1 527a_100000764082_100000745533 [0,2,0,0,0,0|2,0,0]=4 6477 B14R1.4526 CC(C)OCC(=O)NCc1ccco1 11a_100000185738_100000745533 [0,2,0,0,0,0|1,0,0]=3 6478 B14R1.4526 CC(C)OCC(=O)NCc1ccco1 1626a_100000185738_100000745533 [0,2,0,0,0,0|1,0,0]=3 6479 B14R1.4526 CC(C)OCC(=O)NCc1ccco1 240690a_100000185738_100000745533 [0,2,0,0,0,0|1,0,0]=3 6480 B14R1.4526 CC(C)OCC(=O)NCc1ccco1 34a_100000212225_100000183421 [0,2,0,0,0,0|1,0,0]=3 6481 B14R1.4526 CC(C)OCC(=O)NCc1ccco1 527a_100000185738_100000745533 [0,2,0,0,0,0|1,0,0]=3 6482 B14R1.4526 CC(C)OCC(=O)NCc1cccs1 11a_100000211653_100000745533 [0,2,0,0,0,0|1,1,0]=4 6483 B14R1.4526 CC(C)OCC(=O)NCc1cccs1 1626a_100000211653_100000745533 [0,2,0,0,0,0|1,1,0]=4 6484 B14R1.4526 CC(C)OCC(=O)NCc1cccs1 240690a_100000211653_100000745533 [0,2,0,0,0,0|1,1,0]=4 6485 B14R1.4526 CC(C)OCC(=O)NCc1cccs1 34a_100000212225_100000182718 [0,2,0,0,0,0|1,1,0]=4 6486 B14R1.4526 CC(C)OCC(=O)NCc1cccs1 527a_100000211653_100000745533 [0,2,0,0,0,0|1,1,0]=4 6487 B14R1.4526 CC(C)OCC(=O)NCc1cnco1 11a_100020634212_100000745533 [0,2,0,0,0,0|2,0,0]=4 6488 B14R1.4526 CC(C)OCC(=O)NCc1cnco1 240690a_100020634212_100000745533 [0,2,0,0,0,0|2,0,0]=4 6489 B14R1.4526 CC(C)OCC(=O)NCc1cnco1 527a_100020634212_100000745533 [0,2,0,0,0,0|2,0,0]=4 6490 B14R1.4526 CC(C)OCC(=O)NCc1ncco1 11a_100016994969_100000745533 [0,2,0,0,0,0|2,0,0]=4 6491 B14R1.4526 CC(C)OCC(=O)NCc1ncco1 1626a_100016994969_100000745533 [0,2,0,0,0,0|2,0,0]=4 6492 B14R1.4526 CC(C)OCC(=O)NCc1ncco1 240690a_100016994969_100000745533 [0,2,0,0,0,0|2,0,0]=4 6493 B14R1.4526 CC(C)OCC(=O)NCc1ncco1 527a_100016994969_100000745533 [0,2,0,0,0,0|2,0,0]=4 6494 B14R1.4526 CC(C)SCC(=O)CCc1cccs1 1458a_100000241585_100000748579 [0,2,0,0,0,0|0,2,0]=4 6495 B14R1.4526 CC(C)SCC(=O)NCc1ccco1 11a_100000185738_100000241585 [0,2,0,0,0,0|1,1,0]=4 6496 B14R1.4526 CC(C)SCC(=O)NCc1ccco1 1626a_100000185738_100000241585 [0,2,0,0,0,0|1,1,0]=4 6497 B14R1.4526 CC(C)SCC(=O)NCc1ccco1 240690a_100000185738_100000241585 [0,2,0,0,0,0|1,1,0]=4 6498 B14R1.4526 CC(C)SCC(=O)NCc1ccco1 527a_100000185738_100000241585 [0,2,0,0,0,0|1,1,0]=4 6499 B14R1.4526 CC(C)SCC(=O)NCc1ccco1 62a_100000183421_100000210206 [0,2,0,0,0,0|1,1,0]=4 6500 B14R1.4526 CC(C)SCC(=O)NCc1ccco1 62a_100000210206_100000183421 [0,2,0,0,0,0|1,1,0]=4 6501 B14R1.4526 CC(O)CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100012276601 [0,2,0,0,0,0|2,0,0]=4 6502 B14R1.4526 CC(O)CCC(=O)CCc1ccco1 1458a_100000185103_100012276601 [0,2,0,0,0,0|1,0,0]=3 6503 B14R1.4526 CC(O)CCC(=O)CCc1cccs1 1458a_100000185280_100012276601 [0,2,0,0,0,0|1,1,0]=4 6504 B14R1.4526 CC(O)CCC(=O)NCc1ccco1 1626a_100000185738_100000718519 [0,2,0,0,0,0|2,0,0]=4 6505 B14R1.4526 CC(O)CNC(=O)CCc1ccc[nH]1 11a_100000210904_200011998680 [0,2,0,0,0,0|2,0,0]=4 6506 B14R1.4526 CC(O)CNC(=O)CCc1ccc[nH]1 240690a_100000210904_200011998680 [0,2,0,0,0,0|2,0,0]=4 6507 B14R1.4526 CC(O)CNC(=O)CCc1ccc[nH]1 527a_100000210904_200011998680 [0,2,0,0,0,0|2,0,0]=4 6508 B14R1.4526 CC(O)CNC(=O)CCc1ccco1 11a_100000210904_100000185103 [0,2,0,0,0,0|1,0,0]=3 6509 B14R1.4526 CC(O)CNC(=O)CCc1ccco1 527a_100000210904_100000185103 [0,2,0,0,0,0|1,0,0]=3 6510 B14R1.4526 CC(O)CNC(=O)CCc1cccs1 11a_100000210904_100000185280 [0,2,0,0,0,0|1,1,0]=4 6511 B14R1.4526 CC(O)CNC(=O)CCc1cccs1 240690a_100000210904_100000185280 [0,2,0,0,0,0|1,1,0]=4 6512 B14R1.4526 CC(O)CNC(=O)CCc1cccs1 527a_100000210904_100000185280 [0,2,0,0,0,0|1,1,0]=4 6513 B14R1.4526 CC(O)CNC(=O)NCc1ccco1 2708a_100000185738_100000210904 [0,2,0,0,0,0|2,0,0]=4 6514 B14R1.4526 CC(O)CNC(=O)NCc1ccco1 273464a_100000185738_100000210904 [0,2,0,0,0,0|2,0,0]=4 6515 B14R1.4526 CC(O)CNC(=O)NCc1ccco1 512a_100000185738_100000210904 [0,2,0,0,0,0|2,0,0]=4 6516 B14R1.4526 CC(O)CNC(=O)NCc1ccco1 512a_100000210904_100000185738 [0,2,0,0,0,0|2,0,0]=4 6517 B14R1.4526 CN(C)CCC(=O)NCc1ccco1 11a_100000185738_100000689311 [0,2,0,0,0,0|2,0,0]=4 6518 B14R1.4526 CN(C)CCC(=O)NCc1ccco1 2230a_100102631434_200011194439 [0,2,0,0,0,0|2,0,0]=4 6519 B14R1.4526 CN(C)CCC(=O)NCc1ccco1 240690a_100000185738_100000689311 [0,2,0,0,0,0|2,0,0]=4 6520 B14R1.4526 CN(C)CCC(=O)NCc1ccco1 269982a_100102631434_200011194439 [0,2,0,0,0,0|2,0,0]=4 6521 B14R1.4526 CN(C)CCC(=O)NCc1ccco1 527a_100000185738_100000689311 [0,2,0,0,0,0|2,0,0]=4 6522 B14R1.4526 C[S+](C)CCC(=O)CCc1cccs1 1458a_100009452791_100000748579 [0,2,0,0,0,0|1,1,0]=4 6523 B14R1.4526 C[S+](C)CCC(=O)NCc1ccco1 11a_100000185738_100009452791 [0,2,0,0,0,0|2,0,0]=4 6524 B14R1.4526 C[S+](C)CCC(=O)NCc1ccco1 1626a_100000185738_100009452791 [0,2,0,0,0,0|2,0,0]=4 6525 B14R1.4526 C[S+](C)CCC(=O)NCc1ccco1 240690a_100000185738_100009452791 [0,2,0,0,0,0|2,0,0]=4 6526 B14R1.4526 NC(=O)CNC(=O)CCc1ccco1 11a_100000711301_100000185103 [0,2,0,0,0,0|1,0,1]=4 6527 B14R1.4526 NC(=O)CNC(=O)CCc1ccco1 527a_100000711301_100000185103 [0,2,0,0,0,0|1,0,1]=4 6528 B14R1.4526 O=C(CCc1ccc[nH]1)NCC(F)F 11a_100000765723_200011998680 [0,2,0,0,0,0|2,0,0]=4 6529 B14R1.4526 O=C(CCc1ccc[nH]1)NCC(F)F 240690a_100000765723_200011998680 [0,2,0,0,0,0|2,0,0]=4 6530 B14R1.4526 O=C(CCc1ccc[nH]1)NCC(F)F 527a_100000765723_200011998680 [0,2,0,0,0,0|2,0,0]=4 6531 B14R1.4526 O=C(CCc1ccco1)NCC(F)F 11a_100000765723_100000185103 [0,2,0,0,0,0|1,0,0]=3 6532 B14R1.4526 O=C(CCc1ccco1)NCC(F)F 1626a_100000765723_100000185103 [0,2,0,0,0,0|1,0,0]=3 6533 B14R1.4526 O=C(CCc1ccco1)NCC(F)F 527a_100000765723_100000185103 [0,2,0,0,0,0|1,0,0]=3 6534 B14R1.4526 O=C(CCc1cccs1)COC(F)F 1458a_200000719455_100000748579 [0,2,0,0,0,0|1,1,0]=4 6535 B14R1.4526 O=C(CCc1cccs1)NCC(F)F 11a_100000765723_100000185280 [0,2,0,0,0,0|1,1,0]=4 6536 B14R1.4526 O=C(CCc1cccs1)NCC(F)F 1626a_100000765723_100000185280 [0,2,0,0,0,0|1,1,0]=4 6537 B14R1.4526 O=C(CCc1cccs1)NCC(F)F 240690a_100000765723_100000185280 [0,2,0,0,0,0|1,1,0]=4 6538 B14R1.4526 O=C(CCc1cccs1)NCC(F)F 527a_100000765723_100000185280 [0,2,0,0,0,0|1,1,0]=4 6539 B14R1.4526 O=C(COC(F)F)NCc1ccco1 11a_100000185738_200000719455 [0,2,0,0,0,0|2,0,0]=4 6540 B14R1.4526 O=C(COC(F)F)NCc1ccco1 1626a_100000185738_200000719455 [0,2,0,0,0,0|2,0,0]=4 6541 B14R1.4526 O=C(COC(F)F)NCc1ccco1 240690a_100000185738_200000719455 [0,2,0,0,0,0|2,0,0]=4 6542 B14R1.4526 O=C(COC(F)F)NCc1ccco1 527a_100000185738_200000719455 [0,2,0,0,0,0|2,0,0]=4 6543 B14R1.4526 O=C(NCc1ccco1)NCC(F)F 2708a_100000185738_100000765723 [0,2,0,0,0,0|2,0,0]=4 6544 B14R1.4526 O=C(NCc1ccco1)NCC(F)F 273464a_100000185738_100000765723 [0,2,0,0,0,0|2,0,0]=4 6545 B14R1.4526 O=C(NCc1ccco1)NCC(F)F 512a_100000185738_100000765723 [0,2,0,0,0,0|2,0,0]=4 6546 B14R1.4526 O=C(NCc1ccco1)NCC(F)F 512a_100000765723_100000185738 [0,2,0,0,0,0|2,0,0]=4 6547 B14R1.167 CC(C)OC(=O)CSc1sccc1Br 62a_100011215430_100012361411 [0,2,0,0,0,0|1,1,0]=4 6548 B14R1.167 CC(C)OC(=O)CSc1sccc1Br 62a_100012361411_100011215430 [0,2,0,0,0,0|1,1,0]=4 6549 B14R1.167 Cc1ccsc1SCC(=O)OC(C)C 62a_100010247149_100011215430 [0,2,0,0,0,0|1,1,0]=4 6550 B14R1.167 Cc1ccsc1SCC(=O)OC(C)C 62a_100011215430_100010247149 [0,2,0,0,0,0|1,1,0]=4 6551 B14R1.947 CCOC(=O)CSc1sccc1C#N 62a_100000188475_100009817073 [0,2,0,0,0,0|1,1,0]=4 6552 B14R1.947 CCOC(=O)CSc1sccc1C=O 62a_100000188475_100009816921 [0,2,0,0,0,0|1,1,0]=4 6553 B14R1.947 CCOC(=O)CSc1sccc1C=O 62a_100009816921_100000188475 [0,2,0,0,0,0|1,1,0]=4 6554 B14R1.947 CCOC(=O)CSc1sccc1CC 62a_100000188475_200009875468 [0,2,0,0,0,0|1,1,0]=4 6555 B14R1.947 CCOC(=O)CSc1sccc1CC 62a_200009875468_100000188475 [0,2,0,0,0,0|1,1,0]=4 6556 B14R1.947 CCOC(=O)CSc1sccc1CN 62a_100000188475_100000727803 [0,2,0,0,0,0|1,1,0]=4 6557 B14R1.947 CCOC(=O)CSc1sccc1CN 62a_100000727803_100000188475 [0,2,0,0,0,0|1,1,0]=4 6558 B14R1.947 CCOC(=O)CSc1sccc1CO 62a_100000188475_100009816922 [0,2,0,0,0,0|1,1,0]=4 6559 B14R1.947 CCOC(=O)CSc1sccc1CO 62a_100009816922_100000188475 [0,2,0,0,0,0|1,1,0]=4 6560 B14R1.322 CCC(C)(C)C(=O)CCc1cccs1 1458a_100000749717_100000748579 [0,2,0,0,0,0|1,1,0]=4 6561 B14R1.322 CCC(C)(C)C(=O)NCc1ccco1 11a_100000185738_100000749717 [0,2,0,0,0,0|2,0,0]=4 6562 B14R1.322 CCC(C)(C)C(=O)NCc1ccco1 1626a_100000185738_100000749717 [0,2,0,0,0,0|2,0,0]=4 6563 B14R1.322 CCC(C)(C)C(=O)NCc1ccco1 240690a_100000185738_100000749717 [0,2,0,0,0,0|2,0,0]=4 6564 B14R1.322 CCC(C)(C)C(=O)NCc1ccco1 527a_100000185738_100000749717 [0,2,0,0,0,0|2,0,0]=4 6565 B14R1.322 CCC(C)(O)C(=O)CCc1cccs1 1458a_100011219770_100000748579 [0,2,0,0,0,0|1,1,0]=4 6566 B14R1.322 CCC(C)(O)C(=O)NCc1ccco1 240690a_100000185738_100011219770 [0,2,0,0,0,0|2,0,0]=4 6567 B14R1.322 CCC(F)(F)C(=O)CCc1cccs1 1458a_100000061896_100000748579 [0,2,0,0,0,0|1,1,0]=4 6568 B14R1.322 CCC(F)(F)C(=O)NCc1ccco1 11a_100000185738_100000061896 [0,2,0,0,0,0|2,0,0]=4 6569 B14R1.322 CCC(F)(F)C(=O)NCc1ccco1 1626a_100000185738_100000061896 [0,2,0,0,0,0|2,0,0]=4 6570 B14R1.322 CCC(F)(F)C(=O)NCc1ccco1 240690a_100000185738_100000061896 [0,2,0,0,0,0|2,0,0]=4 6571 B14R1.322 CCC(F)(F)C(=O)NCc1ccco1 527a_100000185738_100000061896 [0,2,0,0,0,0|2,0,0]=4 6572 B14R1.411 CCC(CC)C(=O)CCc1ccc[nH]1 1458a_200011998680_100000210505 [0,2,0,0,0,0|2,0,0]=4 6573 B14R1.411 CCC(CC)C(=O)CCc1ccco1 1458a_100000185103_100000210505 [0,2,0,0,0,0|1,0,0]=3 6574 B14R1.411 CCC(CC)C(=O)CCc1cccs1 1458a_100000185280_100000210505 [0,2,0,0,0,0|1,1,0]=4 6575 B14R1.411 CCC(CC)C(=O)CCc1cccs1 1458a_100000211163_100000748579 [0,2,0,0,0,0|1,1,0]=4 6576 B14R1.411 CCC(CC)C(=O)NCc1ccco1 11a_100000185738_100000211163 [0,2,0,0,0,0|2,0,0]=4 6577 B14R1.411 CCC(CC)C(=O)NCc1ccco1 1626a_100000185738_100000211163 [0,2,0,0,0,0|2,0,0]=4 6578 B14R1.411 CCC(CC)C(=O)NCc1ccco1 240690a_100000185738_100000211163 [0,2,0,0,0,0|2,0,0]=4 6579 B14R1.411 CCC(CC)C(=O)NCc1ccco1 527a_100000185738_100000211163 [0,2,0,0,0,0|2,0,0]=4 6580 B14R1.411 CCC(NC)C(=O)NCc1ccco1 2230a_106832991635_200011763343 [0,2,0,0,0,0|2,0,0]=4 6581 B14R1.411 CCC(NC)C(=O)NCc1ccco1 7a_106832991635_200011763343 [0,2,0,0,0,0|2,0,0]=4 6582 B14R1.411 CCC(OC)C(=O)CCc1cccs1 1458a_100000747056_100000748579 [0,2,0,0,0,0|1,1,0]=4 6583 B14R1.411 CCC(OC)C(=O)NCc1ccco1 11a_100000185738_100000747056 [0,2,0,0,0,0|2,0,0]=4 6584 B14R1.411 CCC(OC)C(=O)NCc1ccco1 1626a_100000185738_100000747056 [0,2,0,0,0,0|2,0,0]=4 6585 B14R1.411 CCC(OC)C(=O)NCc1ccco1 240690a_100000185738_100000747056 [0,2,0,0,0,0|2,0,0]=4 6586 B14R1.411 CCC(OC)C(=O)NCc1ccco1 527a_100000185738_100000747056 [0,2,0,0,0,0|2,0,0]=4 6587 B14R1.411 CCC(SC)C(=O)NCc1ccco1 62a_200000210301_200011763343 [0,2,0,0,0,0|2,0,0]=4 6588 B14R1.411 CCC(SC)C(=O)NCc1ccco1 62a_200011763343_200000210301 [0,2,0,0,0,0|2,0,0]=4 6589 B14R1.411 CCC(S[13CH3])C(=O)NCc1ccco1 62a_200011763343_200025704644 [0,2,0,0,0,0|2,0,0]=4 6590 B14R1.411 CCC(S[13CH3])C(=O)NCc1ccco1 62a_200025704644_200011763343 [0,2,0,0,0,0|2,0,0]=4 6591 B14R1.411 CCN(CC)C(=O)CCc1ccc[nH]1 11a_100000724800_200011998680 [0,2,0,0,0,0|2,0,0]=4 6592 B14R1.411 CCN(CC)C(=O)CCc1ccc[nH]1 240690a_100000724800_200011998680 [0,2,0,0,0,0|2,0,0]=4 6593 B14R1.411 CCN(CC)C(=O)CCc1ccc[nH]1 527a_100000724800_200011998680 [0,2,0,0,0,0|2,0,0]=4 6594 B14R1.411 CCN(CC)C(=O)CCc1ccco1 11a_100000724800_100000185103 [0,2,0,0,0,0|1,0,0]=3 6595 B14R1.411 CCN(CC)C(=O)CCc1ccco1 1626a_100000724800_100000185103 [0,2,0,0,0,0|1,0,0]=3 6596 B14R1.411 CCN(CC)C(=O)CCc1ccco1 527a_100000724800_100000185103 [0,2,0,0,0,0|1,0,0]=3 6597 B14R1.411 CCN(CC)C(=O)CCc1cccs1 11a_100000724800_100000185280 [0,2,0,0,0,0|1,1,0]=4 6598 B14R1.411 CCN(CC)C(=O)CCc1cccs1 1626a_100000724800_100000185280 [0,2,0,0,0,0|1,1,0]=4 6599 B14R1.411 CCN(CC)C(=O)CCc1cccs1 240690a_100000724800_100000185280 [0,2,0,0,0,0|1,1,0]=4 6600 B14R1.411 CCN(CC)C(=O)CCc1cccs1 527a_100000724800_100000185280 [0,2,0,0,0,0|1,1,0]=4 6601 B14R1.411 CCN(CC)C(=O)CSc1ccco1 62a_100000211521_100009814098 [0,2,0,0,0,0|2,0,0]=4 6602 B14R1.411 CCN(CC)C(=O)CSc1ccco1 62a_100009814098_100000211521 [0,2,0,0,0,0|2,0,0]=4 6603 B14R1.411 CCN(CC)C(=O)NCc1ccco1 2708a_100000185738_100000724800 [0,2,0,0,0,0|2,0,0]=4 6604 B14R1.411 CCN(CC)C(=O)NCc1ccco1 273464a_100000185738_100000724800 [0,2,0,0,0,0|2,0,0]=4 6605 B14R1.3224 CC(=O)C(C)C(=O)CCc1ccco1 1458a_100000185103_100000179758 [0,2,0,0,0,0|1,0,1]=4 6606 B14R1.3224 CC(C)C(C)C(=O)CCc1cccs1 1458a_100000755409_100000748579 [0,2,0,0,0,0|1,1,0]=4 6607 B14R1.3224 CC(C)C(C)C(=O)NCc1ccco1 11a_100000185738_100000755409 [0,2,0,0,0,0|2,0,0]=4 6608 B14R1.3224 CC(C)C(C)C(=O)NCc1ccco1 1626a_100000185738_100000755409 [0,2,0,0,0,0|2,0,0]=4 6609 B14R1.3224 CC(C)C(C)C(=O)NCc1ccco1 240690a_100000185738_100000755409 [0,2,0,0,0,0|2,0,0]=4 6610 B14R1.3224 CC(C)C(C)C(=O)NCc1ccco1 527a_100000185738_100000755409 [0,2,0,0,0,0|2,0,0]=4 6611 B14R1.3224 CC(C)N(C)C(=O)CCc1ccc[nH]1 11a_200000211004_200011998680 [0,2,0,0,0,0|2,0,0]=4 6612 B14R1.3224 CC(C)N(C)C(=O)CCc1ccc[nH]1 240690a_200000211004_200011998680 [0,2,0,0,0,0|2,0,0]=4 6613 B14R1.3224 CC(C)N(C)C(=O)CCc1ccc[nH]1 527a_200000211004_200011998680 [0,2,0,0,0,0|2,0,0]=4 6614 B14R1.3224 CC(C)N(C)C(=O)CCc1ccco1 11a_200000211004_100000185103 [0,2,0,0,0,0|1,0,0]=3 6615 B14R1.3224 CC(C)N(C)C(=O)CCc1ccco1 1626a_200000211004_100000185103 [0,2,0,0,0,0|1,0,0]=3 6616 B14R1.3224 CC(C)N(C)C(=O)CCc1ccco1 527a_200000211004_100000185103 [0,2,0,0,0,0|1,0,0]=3 6617 B14R1.3224 CC(C)N(C)C(=O)CCc1cccs1 11a_200000211004_100000185280 [0,2,0,0,0,0|1,1,0]=4 6618 B14R1.3224 CC(C)N(C)C(=O)CCc1cccs1 1626a_200000211004_100000185280 [0,2,0,0,0,0|1,1,0]=4 6619 B14R1.3224 CC(C)N(C)C(=O)CCc1cccs1 240690a_200000211004_100000185280 [0,2,0,0,0,0|1,1,0]=4 6620 B14R1.3224 CC(C)N(C)C(=O)CCc1cccs1 527a_200000211004_100000185280 [0,2,0,0,0,0|1,1,0]=4 6621 B14R1.3224 CC(C)N(C)C(=O)CSc1ccco1 62a_100000230190_100009814098 [0,2,0,0,0,0|2,0,0]=4 6622 B14R1.3224 CC(C)N(C)C(=O)CSc1ccco1 62a_100009814098_100000230190 [0,2,0,0,0,0|2,0,0]=4 6623 B14R1.3224 CC(C)N(C)C(=O)NCc1ccco1 2708a_100000185738_200000211004 [0,2,0,0,0,0|2,0,0]=4 6624 B14R1.3224 CC(C)N(C)C(=O)NCc1ccco1 273464a_100000185738_200000211004 [0,2,0,0,0,0|2,0,0]=4 6625 B14R1.3224 CC(C)[C@@H](O)C(=O)CCc1cccs1 1458a_100000691806_100000748579 [0,2,0,0,0,0|1,1,0]=4 6626 B14R1.3224 CC(C)[C@@H](O)C(=O)NCc1ccco1 240690a_100000185738_100000691806 [0,2,0,0,0,0|2,0,0]=4 6627 B14R1.9400 CC(C)(C)CC(=O)CCc1cccs1 1458a_100000211214_100000748579 [0,2,0,0,0,0|1,1,0]=4 6628 B14R1.9400 CC(C)(C)CC(=O)NCc1ccco1 11a_100000185738_100000211214 [0,2,0,0,0,0|2,0,0]=4 6629 B14R1.9400 CC(C)(C)CC(=O)NCc1ccco1 1626a_100000185738_100000211214 [0,2,0,0,0,0|2,0,0]=4 6630 B14R1.9400 CC(C)(C)CC(=O)NCc1ccco1 240690a_100000185738_100000211214 [0,2,0,0,0,0|2,0,0]=4 6631 B14R1.9400 CC(C)(C)CC(=O)NCc1ccco1 527a_100000185738_100000211214 [0,2,0,0,0,0|2,0,0]=4 6632 B14R1.9400 CC(C)(C)NC(=O)CCc1ccc[nH]1 11a_100000715429_200011998680 [0,2,0,0,0,0|2,0,0]=4 6633 B14R1.9400 CC(C)(C)NC(=O)CCc1ccc[nH]1 240690a_100000715429_200011998680 [0,2,0,0,0,0|2,0,0]=4 6634 B14R1.9400 CC(C)(C)NC(=O)CCc1ccc[nH]1 527a_100000715429_200011998680 [0,2,0,0,0,0|2,0,0]=4 6635 B14R1.9400 CC(C)(C)NC(=O)CCc1ccco1 11a_100000715429_100000185103 [0,2,0,0,0,0|1,0,0]=3 6636 B14R1.9400 CC(C)(C)NC(=O)CCc1ccco1 1626a_100000715429_100000185103 [0,2,0,0,0,0|1,0,0]=3 6637 B14R1.9400 CC(C)(C)NC(=O)CCc1ccco1 527a_100000715429_100000185103 [0,2,0,0,0,0|1,0,0]=3 6638 B14R1.9400 CC(C)(C)NC(=O)CCc1cccs1 11a_100000715429_100000185280 [0,2,0,0,0,0|1,1,0]=4 6639 B14R1.9400 CC(C)(C)NC(=O)CCc1cccs1 1626a_100000715429_100000185280 [0,2,0,0,0,0|1,1,0]=4 6640 B14R1.9400 CC(C)(C)NC(=O)CCc1cccs1 240690a_100000715429_100000185280 [0,2,0,0,0,0|1,1,0]=4 6641 B14R1.9400 CC(C)(C)NC(=O)CCc1cccs1 527a_100000715429_100000185280 [0,2,0,0,0,0|1,1,0]=4 6642 B14R1.9400 CC(C)(C)NC(=O)CSc1ccco1 62a_100000182746_100009814098 [0,2,0,0,0,0|2,0,0]=4 6643 B14R1.9400 CC(C)(C)NC(=O)CSc1ccco1 62a_100009814098_100000182746 [0,2,0,0,0,0|2,0,0]=4 6644 B14R1.9400 CC(C)(C)NC(=O)NCc1ccco1 2708a_100000185738_100000715429 [0,2,0,0,0,0|2,0,0]=4 6645 B14R1.9400 CC(C)(C)NC(=O)NCc1ccco1 273464a_100000185738_100000715429 [0,2,0,0,0,0|2,0,0]=4 6646 B14R1.9400 CC(C)(C)NC(=O)NCc1ccco1 512a_100000715429_100000185738 [0,2,0,0,0,0|2,0,0]=4 6647 B14R1.9400 CC(C)(C)OC(=O)CSc1ccco1 62a_100000183872_100009814098 [0,2,0,0,0,0|1,0,0]=3 6648 B14R1.9400 CC(C)(C)OC(=O)CSc1ccco1 62a_100009814098_100000183872 [0,2,0,0,0,0|1,0,0]=3 6649 B14R1.9400 CC(C)(C)OC(=O)CSc1cccs1 62a_100000183872_100011215356 [0,2,0,0,0,0|1,1,0]=4 6650 B14R1.9400 CC(C)(C)OC(=O)CSc1cccs1 62a_100011215356_100000183872 [0,2,0,0,0,0|1,1,0]=4 6651 B14R1.9400 CC(C)(C)OC(=O)CSc1cnco1 62a_100000183872_100020591547 [0,2,0,0,0,0|2,0,0]=4 6652 B14R1.9400 CC(C)(C)OC(=O)CSc1cnco1 62a_100020591547_100000183872 [0,2,0,0,0,0|2,0,0]=4 6653 B14R1.9400 CC(C)(C)OC(=O)CSc1ncco1 62a_100000183872_100011787736 [0,2,0,0,0,0|2,0,0]=4 6654 B14R1.9400 CC(C)(C)OC(=O)CSc1ncco1 62a_100011787736_100000183872 [0,2,0,0,0,0|2,0,0]=4 6655 B14R1.9400 CC(C)(O)CC(=O)CCc1cccs1 1458a_100000693243_100000748579 [0,2,0,0,0,0|1,1,0]=4 6656 B14R1.9400 CC(C)(O)CC(=O)NCc1ccco1 527a_100000185738_100000693243 [0,2,0,0,0,0|2,0,0]=4 6657 B14R1.9400 CS(=O)(=O)NC(=O)CCc1ccco1 2740a_100000171171_100000185103 [0,2,0,0,0,0|2,0,0]=4 6658 B14R1.9400 C[Si](C)(C)CC(=O)CCc1ccco1 1458a_100000185103_100000233785 [0,2,0,0,0,0|1,1,0]=4 6659 B14R1.9400 C[Si](C)(C)OC(=O)CSc1ccco1 62a_100009814098_200009813336 [0,2,0,0,0,0|1,1,0]=4 6660 B14R1.9400 C[Si](C)(C)OC(=O)CSc1ccco1 62a_200009813336_100009814098 [0,2,0,0,0,0|1,1,0]=4 6661 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,0,1,1,0,0|0,0,2]=4 6662 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,0,1,1,0,0|1,0,1]=4 6663 B12R1.312 C=Cc1nc(co1)C(=O)OCC 271570a_100011290941_100011935043 [0,0,1,1,0,0|1,0,1]=4 6664 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,0,1,1,0,0|0,0,2]=4 6665 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [0,0,1,1,0,0|1,0,1]=4 6666 B12R2.98 c1coc(c1)SC2CCOC2 62a_100009814098_100000690089 [1,0,0,1,0,0|1,0,1]=4 6667 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100000103362_100009814098 [1,0,0,1,0,0|1,0,1]=4 6668 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100009814098_100000103362 [1,0,0,1,0,0|1,0,1]=4 6669 B12R2.2383 c1coc(c1)CCNC2CC2 34a_100000694680_100000211595 [1,0,0,1,0,0|2,0,0]=4 6670 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [1,0,0,1,0,0|0,0,2]=4 6671 B12R2.1423 O=C(Cc1ncco1)C2CC2 1458a_100000210395_103436540062 [0,0,0,1,1,0|2,0,0]=4 6672 B14R2.30 O=C1OCCC1Nc2ccccc2 34a_100000106764_100000211211 [0,0,0,1,0,1|2,0,0]=4 6673 B14R2.30 O=C1OCCC1Oc2ccccc2 34a_100000210340_100000211211 [0,0,0,1,0,1|2,0,0]=4 6674 B14R2.30 O=C1OCCC1Oc2ccccc2 7a_100000210340_100000211211 [0,0,0,1,0,1|2,0,0]=4 6675 B14R2.30 O=C1OCCC1Oc2cccnc2 34a_100000210849_100000211211 [0,0,0,1,0,1|2,0,0]=4 6676 B14R2.30 O=C1OCCC1Oc2cccnc2 7a_100000210849_100000211211 [0,0,0,1,0,1|2,0,0]=4 6677 B14R2.30 O=C1OCCC1Oc2ccncc2 34a_100000212176_100000211211 [0,0,0,1,0,1|2,0,0]=4 6678 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000211211_100000041952 [0,0,0,1,0,1|2,0,0]=4 6679 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000719477_100000211211 [0,0,0,1,0,1|2,0,0]=4 6680 B14R2.30 O=C1OCCC1Sc2ccccn2 62a_100000211211_100011216584 [0,0,0,1,0,1|2,0,0]=4 6681 B14R2.30 O=C1OCCC1Sc2ccccn2 62a_100011216584_100000211211 [0,0,0,1,0,1|2,0,0]=4 6682 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000210063_100000211211 [0,0,0,1,0,1|2,0,0]=4 6683 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000211211_100000210063 [0,0,0,1,0,1|2,0,0]=4 6684 B14R2.30 O=C1OCCC1Sc2cccnn2 62a_100000211211_100016991348 [0,0,0,1,0,1|2,0,0]=4 6685 B14R2.30 O=C1OCCC1Sc2cccnn2 62a_100016991348_100000211211 [0,0,0,1,0,1|2,0,0]=4 6686 B14R2.30 O=C1OCCC1Sc2ccncc2 62a_100000211211_100000728582 [0,0,0,1,0,1|2,0,0]=4 6687 B14R2.30 O=C1OCCC1Sc2ccncc2 62a_100000728582_100000211211 [0,0,0,1,0,1|2,0,0]=4 6688 B14R2.30 O=C1OCCC1Sc2ccncn2 62a_100000211211_100000703185 [0,0,0,1,0,1|2,0,0]=4 6689 B14R2.30 O=C1OCCC1Sc2ccncn2 62a_100000703185_100000211211 [0,0,0,1,0,1|2,0,0]=4 6690 B14R2.30 O=C1OCCC1Sc2cnccn2 62a_100000211211_100000211759 [0,0,0,1,0,1|2,0,0]=4 6691 B14R2.30 O=C1OCCC1Sc2cnccn2 62a_100000211759_100000211211 [0,0,0,1,0,1|2,0,0]=4 6692 B14R2.30 O=C1OCCC1Sc2ncccn2 62a_100000211032_100000211211 [0,0,0,1,0,1|2,0,0]=4 6693 B14R2.30 O=C1OCCC1Sc2ncccn2 62a_100000211211_100000211032 [0,0,0,1,0,1|2,0,0]=4 6694 B14R2.2899 O=C(CCc1ccccc1)C2CC2 1458a_100000210395_100000765856 [0,0,0,1,0,1|2,0,0]=4 6695 B14R2.2899 O=C(CCc1ccccn1)C2CC2 1458a_100000210395_100015183660 [0,0,0,1,0,1|2,0,0]=4 6696 B14R2.2899 O=C(CCc1cccnc1)C2CC2 1458a_100000210395_200011713674 [0,0,0,1,0,1|2,0,0]=4 6697 B14R2.2899 O=C(CCc1ccncc1)C2CC2 1458a_100000210395_100000723409 [0,0,0,1,0,1|2,0,0]=4 6698 B14R2.33858 CCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210303 [0,0,0,1,0,1|2,0,0]=4 6699 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 11a_100015525214_200000238571 [0,0,0,1,0,1|2,0,0]=4 6700 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 240690a_100015525214_200000238571 [0,0,0,1,0,1|2,0,0]=4 6701 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 527a_100015525214_200000238571 [0,0,0,1,0,1|2,0,0]=4 6702 B14R2.322 c1coc(c1)CNCC2=NCCN2 34a_100000185738_100000737910 [0,0,0,1,0,1|2,0,0]=4 6703 B14R2.322 c1coc(c1)CNCC2CCCO2 2230a_100000185738_100000203698 [0,0,0,1,0,1|1,0,1]=4 6704 B14R2.322 c1coc(c1)CNCC2OCCO2 207a_100000036311_100000186105 [0,0,0,1,0,1|0,0,2]=4 6705 B14R2.322 c1coc(c1)CNCC2OCCO2 2230a_100000185738_100000755774 [0,0,0,1,0,1|0,0,2]=4 6706 B14R2.322 c1coc(c1)CNCC2OCCO2 270004a_100000036311_100000186105 [0,0,0,1,0,1|0,0,2]=4 6707 B14R2.322 c1coc(c1)CNCC2OCCO2 34a_100000185738_100000755774 [0,0,0,1,0,1|0,0,2]=4 6708 B14R2.322 c1coc(c1)CNC[C@@H]2CCCO2 207a_100020590478_100000186105 [0,0,0,1,0,1|1,0,1]=4 6709 B14R2.322 c1coc(c1)CNC[C@@H]2CCCO2 270004a_100020590478_100000186105 [0,0,0,1,0,1|1,0,1]=4 6710 B14R2.322 c1coc(c1)COCC2=NCCN2 34a_100000210059_100000737910 [0,0,0,1,0,1|2,0,0]=4 6711 B14R2.322 c1coc(c1)COCC2OCCO2 34a_100000210059_100000755774 [0,0,0,1,0,1|0,0,2]=4 6712 B14R2.322 c1coc(c1)SCCC2OCCO2 62a_100009814098_100000740749 [0,0,0,1,0,1|0,0,2]=4 6713 B14R2.384 CC1OCCC1NCc2ccco2 270004a_100000185738_100000691750 [0,0,0,1,0,1|1,0,1]=4 6714 B14R2.384 O=C1CCCC1NCc2ccco2 2230a_100000185738_100000211823 [0,0,0,1,0,1|1,0,0]=3 6715 B14R2.384 O=C1CCCC1NCc2ccco2 34a_100000185738_100000709159 [0,0,0,1,0,1|1,0,0]=3 6716 B14R2.384 O=C1CCCC1NCc2cccs2 2230a_100000211653_100000211823 [0,0,0,1,0,1|1,1,0]=4 6717 B14R2.384 O=C1CCCC1NCc2ncco2 2230a_100016994969_100000211823 [0,0,0,1,0,1|2,0,0]=4 6718 B14R2.384 O=C1CCCC1OCc2ccco2 34a_100000210059_100000709159 [0,0,0,1,0,1|1,0,0]=3 6719 B14R2.384 O=C1CCCC1OCc2cccs2 34a_100000211240_100000709159 [0,0,0,1,0,1|1,1,0]=4 6720 B14R2.384 O=C1CCCC1OCc2ccno2 34a_100000740478_100000709159 [0,0,0,1,0,1|2,0,0]=4 6721 B14R2.384 O=C1CCCC1OCc2ncco2 34a_100000062594_100000709159 [0,0,0,1,0,1|2,0,0]=4 6722 B14R2.384 O=C1CCCC1OCc2ncco2 34a_200000719330_103436540062 [0,0,0,1,0,1|2,0,0]=4 6723 B14R2.384 O=C1CCCC1SCc2ncco2 62a_100000211823_103436540062 [0,0,0,1,0,1|2,0,0]=4 6724 B14R2.384 O=C1CCCC1SCc2ncco2 62a_103436540062_100000211823 [0,0,0,1,0,1|2,0,0]=4 6725 B14R2.384 O=C1CCCN1CSc2ccco2 62a_100000026320_100009814098 [0,0,0,1,0,1|2,0,0]=4 6726 B14R2.384 O=C1CCCN1CSc2ccco2 62a_100009814098_100000026320 [0,0,0,1,0,1|2,0,0]=4 6727 B14R2.384 O=C1NCCC1NCc2ccco2 270004a_100016995588_100000186105 [0,0,0,1,0,1|1,0,0]=3 6728 B14R2.384 O=C1NCCC1NCc2cccs2 270004a_100016995588_100000209959 [0,0,0,1,0,1|1,1,0]=4 6729 B14R2.384 O=C1NCCC1NCc2cnco2 270004a_100016995588_100000064291 [0,0,0,1,0,1|2,0,0]=4 6730 B14R2.384 O=C1NCCC1NCc2ncco2 2230a_100016995588_103436540062 [0,0,0,1,0,1|2,0,0]=4 6731 B14R2.384 O=C1NCCC1NCc2ncco2 270004a_100016995588_100000064290 [0,0,0,1,0,1|2,0,0]=4 6732 B14R2.384 O=C1NCCC1NCc2ncco2 34a_100016995588_103436540062 [0,0,0,1,0,1|2,0,0]=4 6733 B14R2.384 O=C1NCC[C@@H]1OCc2ncco2 34a_100000688343_103436540062 [0,0,0,1,0,1|2,0,0]=4 6734 B14R2.384 O=C1NOC[C@H]1NCc2ccco2 270004a_100000765999_100000186105 [0,0,0,1,0,1|2,0,0]=4 6735 B14R2.384 O=C1OCCC1NCc2ccco2 2230a_100000185738_100000211211 [0,0,0,1,0,1|0,0,0]=2 6736 B14R2.384 O=C1OCCC1NCc2ccco2 34a_100000185738_100000211211 [0,0,0,1,0,1|0,0,0]=2 6737 B14R2.384 O=C1OCCC1NCc2cccs2 2230a_100000211653_100000211211 [0,0,0,1,0,1|0,1,0]=3 6738 B14R2.384 O=C1OCCC1NCc2ccoc2 2230a_100015206860_100000211211 [0,0,0,1,0,1|2,0,0]=4 6739 B14R2.384 O=C1OCCC1NCc2ccoc2 34a_100015206860_100000211211 [0,0,0,1,0,1|2,0,0]=4 6740 B14R2.384 O=C1OCCC1NCc2ccsc2 2230a_100000186416_100000211211 [0,0,0,1,0,1|2,0,0]=4 6741 B14R2.384 O=C1OCCC1NCc2ccsc2 34a_100000186416_100000211211 [0,0,0,1,0,1|2,0,0]=4 6742 B14R2.384 O=C1OCCC1NCc2cncs2 2230a_100016987365_100000211211 [0,0,0,1,0,1|1,1,0]=4 6743 B14R2.384 O=C1OCCC1NCc2cscn2 2230a_100015185402_100000211211 [0,0,0,1,0,1|2,0,0]=4 6744 B14R2.384 O=C1OCCC1NCc2ncco2 2230a_100016994969_100000211211 [0,0,0,1,0,1|1,0,0]=3 6745 B14R2.384 O=C1OCCC1NCc2nccs2 2230a_100000740555_100000211211 [0,0,0,1,0,1|1,1,0]=4 6746 B14R2.384 O=C1OCCC1OCc2ccco2 34a_100000210059_100000211211 [0,0,0,1,0,1|0,0,0]=2 6747 B14R2.384 O=C1OCCC1OCc2cccs2 34a_100000211240_100000211211 [0,0,0,1,0,1|0,1,0]=3 6748 B14R2.384 O=C1OCCC1OCc2ccno2 34a_100000740478_100000211211 [0,0,0,1,0,1|1,0,0]=3 6749 B14R2.384 O=C1OCCC1OCc2ccoc2 34a_100011215357_100000211211 [0,0,0,1,0,1|2,0,0]=4 6750 B14R2.384 O=C1OCCC1OCc2ccsc2 34a_100011215551_100000211211 [0,0,0,1,0,1|2,0,0]=4 6751 B14R2.384 O=C1OCCC1OCc2ncco2 34a_100000062594_100000211211 [0,0,0,1,0,1|1,0,0]=3 6752 B14R2.384 O=C1OCCC1OCn2cccn2 34a_100000731028_100000211211 [0,0,0,1,0,1|2,0,0]=4 6753 B14R2.384 O=C1OCCC1SCc2c[nH]cn2 62a_100000211211_100000707719 [0,0,0,1,0,1|2,0,0]=4 6754 B14R2.384 O=C1OCCC1SCc2c[nH]cn2 62a_100000707719_100000211211 [0,0,0,1,0,1|2,0,0]=4 6755 B14R2.384 O=C1OCCC1SCc2ccn[nH]2 62a_100000211211_100000728653 [0,0,0,1,0,1|2,0,0]=4 6756 B14R2.384 O=C1OCCC1SCc2ccn[nH]2 62a_100000728653_100000211211 [0,0,0,1,0,1|2,0,0]=4 6757 B14R2.384 O=C1OCCC1SCc2ccon2 62a_100000211211_100000234950 [0,0,0,1,0,1|2,0,0]=4 6758 B14R2.384 O=C1OCCC1SCc2ccon2 62a_100000234950_100000211211 [0,0,0,1,0,1|2,0,0]=4 6759 B14R2.384 O=C1OCCC1SCc2ccsc2 62a_100000211211_100011233845 [0,0,0,1,0,1|2,0,0]=4 6760 B14R2.384 O=C1OCCC1SCc2ccsc2 62a_100011261437_100000211211 [0,0,0,1,0,1|2,0,0]=4 6761 B14R2.384 O=C1OCCC1SCc2cncs2 62a_100000211211_100015185245 [0,0,0,1,0,1|1,1,0]=4 6762 B14R2.384 O=C1OCCC1SCc2cncs2 62a_100015185245_100000211211 [0,0,0,1,0,1|1,1,0]=4 6763 B14R2.384 O=C1OCCC1SCc2cscn2 62a_100000205941_100000211211 [0,0,0,1,0,1|2,0,0]=4 6764 B14R2.384 O=C1OCCC1SCc2cscn2 62a_100000211211_100000205941 [0,0,0,1,0,1|2,0,0]=4 6765 B14R2.384 O=C1OCCC1SCc2ncc[nH]2 62a_100000211211_100016991755 [0,0,0,1,0,1|2,0,0]=4 6766 B14R2.384 O=C1OCCC1SCc2ncc[nH]2 62a_100016991755_100000211211 [0,0,0,1,0,1|2,0,0]=4 6767 B14R2.384 O=C1OCCC1SCc2ncco2 62a_100000211211_103436540062 [0,0,0,1,0,1|1,0,0]=3 6768 B14R2.384 O=C1OCCC1SCc2ncco2 62a_103436540062_100000211211 [0,0,0,1,0,1|1,0,0]=3 6769 B14R2.384 O=C1OCCC1SCc2nccs2 62a_100000211211_100015184050 [0,0,0,1,0,1|1,1,0]=4 6770 B14R2.384 O=C1OCCC1SCc2nccs2 62a_100015184050_100000211211 [0,0,0,1,0,1|1,1,0]=4 6771 B14R2.523 CCOC1CN(C1)Cc2ccco2 270004a_100000732654_100000186105 [0,0,0,1,0,1|1,0,1]=4 6772 B14R2.716 CC1=CCCN(C1)Cc2ccco2 270004a_100000725631_100000186105 [0,0,0,1,0,1|2,0,0]=4 6773 B14R2.716 CC1CN(CCO1)Cc2ccco2 270004a_100000729577_100000186105 [0,0,0,1,0,1|1,0,1]=4 6774 B14R2.716 O=C1CN(CCN1)Cc2ccco2 270004a_100000184651_100000186105 [0,0,0,1,0,1|1,0,0]=3 6775 B14R2.716 O=C1CN(CCN1)Cc2cccs2 270004a_100000184651_100000209959 [0,0,0,1,0,1|1,1,0]=4 6776 B14R2.716 O=C1CN(CCN1)Cc2cnco2 270004a_100000184651_100000064291 [0,0,0,1,0,1|2,0,0]=4 6777 B14R2.716 O=C1CN(CCN1)Cc2ncco2 2230a_100000184651_103436540062 [0,0,0,1,0,1|2,0,0]=4 6778 B14R2.716 O=C1CN(CCN1)Cc2ncco2 270004a_100000184651_100000064290 [0,0,0,1,0,1|2,0,0]=4 6779 B14R2.716 O=C1CN(CCO1)Cc2c[nH]cn2 2230a_100000131268_100000707719 [0,0,0,1,0,1|2,0,0]=4 6780 B14R2.716 O=C1CN(CCO1)Cc2cc[nH]n2 270004a_100000131268_100000738523 [0,0,0,1,0,1|2,0,0]=4 6781 B14R2.716 O=C1CN(CCO1)Cc2ccco2 270004a_100000131268_100000186105 [0,0,0,1,0,1|0,0,0]=2 6782 B14R2.716 O=C1CN(CCO1)Cc2cccs2 270004a_100000131268_100000209959 [0,0,0,1,0,1|0,1,0]=3 6783 B14R2.716 O=C1CN(CCO1)Cc2ccn[nH]2 2230a_100000131268_100000728653 [0,0,0,1,0,1|2,0,0]=4 6784 B14R2.716 O=C1CN(CCO1)Cc2ccoc2 270004a_100000131268_100011215517 [0,0,0,1,0,1|2,0,0]=4 6785 B14R2.716 O=C1CN(CCO1)Cc2ccon2 2230a_100000131268_100000234950 [0,0,0,1,0,1|2,0,0]=4 6786 B14R2.716 O=C1CN(CCO1)Cc2ccsc2 2230a_100000131268_100011261437 [0,0,0,1,0,1|2,0,0]=4 6787 B14R2.716 O=C1CN(CCO1)Cc2ccsc2 270004a_100000131268_100000188534 [0,0,0,1,0,1|2,0,0]=4 6788 B14R2.716 O=C1CN(CCO1)Cc2cnco2 270004a_100000131268_100000064291 [0,0,0,1,0,1|1,0,0]=3 6789 B14R2.716 O=C1CN(CCO1)Cc2cncs2 2230a_100000131268_100015185245 [0,0,0,1,0,1|1,1,0]=4 6790 B14R2.716 O=C1CN(CCO1)Cc2cncs2 270004a_100000131268_100000749870 [0,0,0,1,0,1|1,1,0]=4 6791 B14R2.716 O=C1CN(CCO1)Cc2cocn2 270004a_100000131268_100000050382 [0,0,0,1,0,1|2,0,0]=4 6792 B14R2.716 O=C1CN(CCO1)Cc2cscn2 2230a_100000131268_100000205941 [0,0,0,1,0,1|2,0,0]=4 6793 B14R2.716 O=C1CN(CCO1)Cc2cscn2 270004a_100000131268_100000743575 [0,0,0,1,0,1|2,0,0]=4 6794 B14R2.716 O=C1CN(CCO1)Cc2ncc[nH]2 2230a_100000131268_100016991755 [0,0,0,1,0,1|2,0,0]=4 6795 B14R2.716 O=C1CN(CCO1)Cc2ncco2 2230a_100000131268_103436540062 [0,0,0,1,0,1|1,0,0]=3 6796 B14R2.716 O=C1CN(CCO1)Cc2ncco2 270004a_100000131268_100000064290 [0,0,0,1,0,1|1,0,0]=3 6797 B14R2.716 O=C1CN(CCO1)Cc2nccs2 2230a_100000131268_100015184050 [0,0,0,1,0,1|1,1,0]=4 6798 B14R2.716 O=C1CN(CCO1)Cc2nccs2 270004a_100000131268_100000750902 [0,0,0,1,0,1|1,1,0]=4 6799 B14R2.716 OC1CN(CCO1)Cc2ccco2 270004a_100000688207_100000186105 [0,0,0,1,0,1|0,0,2]=4 6800 B14R2.9811 CCOC(=O)C1CC1c2c[nH]cn2 271570a_100010780539_100000756875 [0,0,0,1,0,1|2,0,0]=4 6801 B14R2.9811 CCOC(=O)C1CC1c2cc[nH]n2 271570a_100010780539_100000062575 [0,0,0,1,0,1|2,0,0]=4 6802 B14R2.9811 CCOC(=O)C1CC1c2ccco2 271570a_100010780539_100009814098 [0,0,0,1,0,1|0,0,0]=2 6803 B14R2.9811 CCOC(=O)C1CC1c2cccs2 271570a_100010780539_100011215356 [0,0,0,1,0,1|0,1,0]=3 6804 B14R2.9811 CCOC(=O)C1CC1c2ccoc2 271570a_100010780539_100011215275 [0,0,0,1,0,1|2,0,0]=4 6805 B14R2.9811 CCOC(=O)C1CC1c2ccsc2 271570a_100010780539_100000738268 [0,0,0,1,0,1|2,0,0]=4 6806 B14R2.9811 CCOC(=O)C1CC1c2ccsn2 271570a_100010780539_100009818082 [0,0,0,1,0,1|2,0,0]=4 6807 B14R2.9811 CCOC(=O)C1CC1c2cnco2 271570a_100010780539_100020591547 [0,0,0,1,0,1|1,0,0]=3 6808 B14R2.9811 CCOC(=O)C1CC1c2cncs2 271570a_100010780539_100011934649 [0,0,0,1,0,1|1,1,0]=4 6809 B14R2.9811 CCOC(=O)C1CC1c2cscn2 271570a_100010780539_100000751502 [0,0,0,1,0,1|2,0,0]=4 6810 B14R2.9811 CCOC(=O)C1CC1c2ncc[nH]2 271570a_100010780539_100025796157 [0,0,0,1,0,1|2,0,0]=4 6811 B14R2.9811 CCOC(=O)C1CC1c2ncco2 271570a_100010780539_100011787736 [0,0,0,1,0,1|1,0,0]=3 6812 B14R2.9811 CCOC(=O)C1CC1c2nccs2 271570a_100010780539_100000211983 [0,0,0,1,0,1|1,1,0]=4 6813 B14R2.31850 O=C(CCCc1cccs1)C2CC2 1458a_100000210395_100010992444 [0,0,0,1,0,1|1,1,0]=4 6814 B14R2.31850 O=C(CNCc1ccco1)C2CC2 2230a_100000185738_100000746382 [0,0,0,1,0,1|1,0,0]=3 6815 B14R2.31850 O=C(CNCc1ccco1)C2CC2 34a_100000185738_100000746382 [0,0,0,1,0,1|1,0,0]=3 6816 B14R2.31850 O=C(CNCc1cccs1)C2CC2 2230a_100000211653_100000746382 [0,0,0,1,0,1|1,1,0]=4 6817 B14R2.31850 O=C(CNCc1ncco1)C2CC2 2230a_100016994969_100000746382 [0,0,0,1,0,1|2,0,0]=4 6818 B14R2.31850 O=C(COCc1ccco1)C2CC2 34a_100000210059_100000746382 [0,0,0,1,0,1|1,0,0]=3 6819 B14R2.31850 O=C(COCc1cccs1)C2CC2 34a_100000211240_100000746382 [0,0,0,1,0,1|1,1,0]=4 6820 B14R2.31850 O=C(COCc1ccno1)C2CC2 34a_100000740478_100000746382 [0,0,0,1,0,1|2,0,0]=4 6821 B14R2.31850 O=C(COCc1ncco1)C2CC2 34a_100000062594_100000746382 [0,0,0,1,0,1|2,0,0]=4 6822 B14R2.31850 O=C(COCc1ncco1)C2CC2 34a_100000686663_103436540062 [0,0,0,1,0,1|2,0,0]=4 6823 B14R2.31850 O=C(CSCc1ncco1)C2CC2 62a_100000746382_103436540062 [0,0,0,1,0,1|2,0,0]=4 6824 B14R2.31850 O=C(CSCc1ncco1)C2CC2 62a_103436540062_100000746382 [0,0,0,1,0,1|2,0,0]=4 6825 B14R2.31850 O=C(NCCc1ccco1)C2CC2 11a_100000694680_100000210395 [0,0,0,1,0,1|1,0,0]=3 6826 B14R2.31850 O=C(NCCc1ccco1)C2CC2 1626a_100000694680_100000210395 [0,0,0,1,0,1|1,0,0]=3 6827 B14R2.31850 O=C(NCCc1ccco1)C2CC2 240690a_100000694680_100000210395 [0,0,0,1,0,1|1,0,0]=3 6828 B14R2.31850 O=C(NCCc1ccco1)C2CC2 527a_100000694680_100000210395 [0,0,0,1,0,1|1,0,0]=3 6829 B14R2.31850 O=C(NCCc1ccco1)C2CO2 11a_100000694680_100000701028 [0,0,0,1,0,1|2,0,0]=4 6830 B14R2.31850 O=C(NCCc1ccco1)C2CO2 1626a_100000694680_100000701028 [0,0,0,1,0,1|2,0,0]=4 6831 B14R2.31850 O=C(NCCc1ccco1)C2CO2 240690a_100000694680_100000701028 [0,0,0,1,0,1|2,0,0]=4 6832 B14R2.31850 O=C(NCCc1ccco1)C2CO2 527a_100000694680_100000701028 [0,0,0,1,0,1|2,0,0]=4 6833 B14R2.31850 O=C(NCCc1cccs1)C2CC2 11a_100000203755_100000210395 [0,0,0,1,0,1|1,1,0]=4 6834 B14R2.31850 O=C(NCCc1cccs1)C2CC2 1626a_100000203755_100000210395 [0,0,0,1,0,1|1,1,0]=4 6835 B14R2.31850 O=C(NCCc1cccs1)C2CC2 240690a_100000203755_100000210395 [0,0,0,1,0,1|1,1,0]=4 6836 B14R2.31850 O=C(NCCc1cccs1)C2CC2 527a_100000203755_100000210395 [0,0,0,1,0,1|1,1,0]=4 6837 B14R2.31850 O=C(OCSc1ccco1)C2CC2 62a_100000140896_100009814098 [0,0,0,1,0,1|2,0,0]=4 6838 B14R2.31850 O=C(OCSc1ccco1)C2CC2 62a_100009814098_100000140896 [0,0,0,1,0,1|2,0,0]=4 6839 B14R2.15286 C[C@@H](NC(=O)C1CC1)c2ccco2 11a_100160469435_100000210395 [0,1,0,1,0,0|2,0,0]=4 6840 B14R2.15286 C[C@@H](NC(=O)C1CC1)c2ccco2 1626a_100160469435_100000210395 [0,1,0,1,0,0|2,0,0]=4 6841 B14R2.15286 C[C@@H](NC(=O)C1CC1)c2ccco2 240690a_100160469435_100000210395 [0,1,0,1,0,0|2,0,0]=4 6842 B14R2.15286 C[C@@H](NC(=O)C1CC1)c2ccco2 527a_100160469435_100000210395 [0,1,0,1,0,0|2,0,0]=4 6843 B14R2.15286 O=C(CC(=O)C1CC1)c2ccco2 1458a_100000210395_100000211439 [0,1,0,1,0,0|1,0,1]=4 6844 B14R2.252 Cc1noc(n1)CCc2ccco2 270196a_100000212224_100000185103 [0,1,0,1,0,0|1,0,1]=4 6845 B14R2.259 Cc1ccc(s1)SC2CCOC2=O 62a_100000031368_100000211211 [0,1,0,1,0,0|1,1,0]=4 6846 B14R2.259 Cc1ccc(s1)SC2CCOC2=O 62a_100000211211_100000031368 [0,1,0,1,0,0|1,1,0]=4 6847 B14R2.259 Cc1csc(c1)SC2CCOC2=O 62a_100000211211_100009876951 [0,1,0,1,0,0|1,1,0]=4 6848 B14R2.259 Cc1csc(c1)SC2CCOC2=O 62a_100009876951_100000211211 [0,1,0,1,0,0|1,1,0]=4 6849 B14R2.259 O=C1OCCC1Sc2ccc(s2)Br 62a_100000211211_100010197418 [0,1,0,1,0,0|1,1,0]=4 6850 B14R2.259 O=C1OCCC1Sc2ccc(s2)Br 62a_100010197418_100000211211 [0,1,0,1,0,0|1,1,0]=4 6851 B14R2.4373 Cc1ccc(o1)CNC(=O)C2CC2 11a_100011194323_100000210395 [0,1,0,1,0,0|2,0,0]=4 6852 B14R2.4373 Cc1ccc(o1)CNC(=O)C2CC2 1626a_100011194323_100000210395 [0,1,0,1,0,0|2,0,0]=4 6853 B14R2.4373 Cc1ccc(o1)CNC(=O)C2CC2 240690a_100011194323_100000210395 [0,1,0,1,0,0|2,0,0]=4 6854 B14R2.4373 Cc1ccc(o1)CNC(=O)C2CC2 527a_100011194323_100000210395 [0,1,0,1,0,0|2,0,0]=4 6855 B14R2.4373 O=C(NCc1ccc(o1)Br)C2CC2 11a_100000708654_100000210395 [0,1,0,1,0,0|2,0,0]=4 6856 B14R2.4373 O=C(NCc1ccc(o1)Br)C2CC2 1626a_100000708654_100000210395 [0,1,0,1,0,0|2,0,0]=4 6857 B14R2.4373 O=C(NCc1ccc(o1)Br)C2CC2 240690a_100000708654_100000210395 [0,1,0,1,0,0|2,0,0]=4 6858 B14R2.4373 O=C(NCc1ccc(o1)Br)C2CC2 527a_100000708654_100000210395 [0,1,0,1,0,0|2,0,0]=4 6859 B14R2.50 O=C1CCCCC1Sc2ccco2 62a_100000204591_100009814098 [0,1,0,1,0,0|2,0,0]=4 6860 B14R2.50 O=C1CCCCC1Sc2ccco2 62a_100009814098_100000204591 [0,1,0,1,0,0|2,0,0]=4 6861 B14R2.50 O=C1CCOCC1Sc2ccco2 62a_100009814098_100012180262 [0,1,0,1,0,0|2,0,0]=4 6862 B14R2.50 O=C1CCOCC1Sc2ccco2 62a_100012180262_100009814098 [0,1,0,1,0,0|2,0,0]=4 6863 B14R2.50 O=C1NCCCC1Sc2ccco2 62a_100000687798_100009814098 [0,1,0,1,0,0|2,0,0]=4 6864 B14R2.50 O=C1NCCCC1Sc2ccco2 62a_100009814098_100000687798 [0,1,0,1,0,0|2,0,0]=4 6865 B14R2.9597 CN(Cc1ccco1)C(=O)C2CC2 11a_100000185268_100000210395 [0,1,0,1,0,0|2,0,0]=4 6866 B14R2.9597 CN(Cc1ccco1)C(=O)C2CC2 240690a_100000185268_100000210395 [0,1,0,1,0,0|2,0,0]=4 6867 B14R2.9597 CN(Cc1ccco1)C(=O)C2CC2 527a_100000185268_100000210395 [0,1,0,1,0,0|2,0,0]=4 6868 B14R2.674 CC1CC1C(=O)CCc2cccs2 1458a_100000211227_100000748579 [0,1,0,1,0,0|1,1,0]=4 6869 B14R2.674 CC1CC1C(=O)NCc2ccco2 11a_100000185738_100000211227 [0,1,0,1,0,0|2,0,0]=4 6870 B14R2.674 CC1CC1C(=O)NCc2ccco2 1626a_100000185738_100000211227 [0,1,0,1,0,0|2,0,0]=4 6871 B14R2.674 CC1CC1C(=O)NCc2ccco2 527a_100000185738_100000211227 [0,1,0,1,0,0|2,0,0]=4 6872 B14R2.674 O=C(CCc1cccs1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000748579 [0,1,0,1,0,0|1,1,0]=4 6873 B14R2.674 O=C(NCc1ccco1)[C@@H]2C[C@@H]2F 11a_100000185738_100015396687 [0,1,0,1,0,0|2,0,0]=4 6874 B14R2.674 O=C(NCc1ccco1)[C@@H]2C[C@@H]2F 240690a_100000185738_100015396687 [0,1,0,1,0,0|2,0,0]=4 6875 B14R2.674 O=C(NCc1ccco1)[C@@H]2C[C@@H]2F 527a_100000185738_100015396687 [0,1,0,1,0,0|2,0,0]=4 6876 B14R2.4572 O=C1COC(=O)C1Sc2ccco2 62a_100009814098_100000032967 [0,1,0,1,0,0|1,0,1]=4 6877 B14R2.13184 O=C(CC1CC1)NCc2ccco2 11a_100000185738_100000738066 [0,1,0,1,0,0|2,0,0]=4 6878 B14R2.13184 O=C(CC1CC1)NCc2ccco2 1626a_100000185738_100000738066 [0,1,0,1,0,0|2,0,0]=4 6879 B14R2.13184 O=C(CC1CC1)NCc2ccco2 240690a_100000185738_100000738066 [0,1,0,1,0,0|2,0,0]=4 6880 B14R2.13184 O=C(CC1CC1)NCc2ccco2 527a_100000185738_100000738066 [0,1,0,1,0,0|2,0,0]=4 6881 B14R2.13184 O=C(CCc1ccc[nH]1)CC2CC2 1458a_200011998680_100000742324 [0,1,0,1,0,0|2,0,0]=4 6882 B14R2.13184 O=C(CCc1ccc[nH]1)CC2CO2 1458a_200011998680_100011216344 [0,1,0,1,0,0|2,0,0]=4 6883 B14R2.13184 O=C(CCc1ccc[nH]1)CC2CS2 1458a_200011998680_100000031435 [0,1,0,1,0,0|2,0,0]=4 6884 B14R2.13184 O=C(CCc1ccc[nH]1)C[C@@H]2CO2 1458a_200011998680_100000745022 [0,1,0,1,0,0|2,0,0]=4 6885 B14R2.13184 O=C(CCc1ccc[nH]1)NC2CC2 240690a_100000212008_200011998680 [0,1,0,1,0,0|2,0,0]=4 6886 B14R2.13184 O=C(CCc1ccc[nH]1)NC2CC2 527a_100000212008_200011998680 [0,1,0,1,0,0|2,0,0]=4 6887 B14R2.13184 O=C(CCc1ccco1)CC2CC2 1458a_100000185103_100000742324 [0,1,0,1,0,0|1,0,0]=3 6888 B14R2.13184 O=C(CCc1ccco1)CC2CO2 1458a_100000185103_100011216344 [0,1,0,1,0,0|1,0,0]=3 6889 B14R2.13184 O=C(CCc1ccco1)CC2CS2 1458a_100000185103_100000031435 [0,1,0,1,0,0|1,0,0]=3 6890 B14R2.13184 O=C(CCc1ccco1)C[C@@H]2CO2 1458a_100000185103_100000745022 [0,1,0,1,0,0|1,0,0]=3 6891 B14R2.13184 O=C(CCc1ccco1)NC2CC2 1626a_100000212008_100000185103 [0,1,0,1,0,0|1,0,0]=3 6892 B14R2.13184 O=C(CCc1ccco1)NC2CC2 527a_100000212008_100000185103 [0,1,0,1,0,0|1,0,0]=3 6893 B14R2.13184 O=C(CCc1cccs1)CC2CC2 1458a_100000185280_100000742324 [0,1,0,1,0,0|1,1,0]=4 6894 B14R2.13184 O=C(CCc1cccs1)CC2CC2 1458a_100000738066_100000748579 [0,1,0,1,0,0|1,1,0]=4 6895 B14R2.13184 O=C(CCc1cccs1)CC2CO2 1458a_100000185280_100011216344 [0,1,0,1,0,0|1,1,0]=4 6896 B14R2.13184 O=C(CCc1cccs1)CC2CS2 1458a_100000185280_100000031435 [0,1,0,1,0,0|1,1,0]=4 6897 B14R2.13184 O=C(CCc1cccs1)C[C@@H]2CO2 1458a_100000185280_100000745022 [0,1,0,1,0,0|1,1,0]=4 6898 B14R2.13184 O=C(CCc1cccs1)NC2CC2 1626a_100000212008_100000185280 [0,1,0,1,0,0|1,1,0]=4 6899 B14R2.13184 O=C(CCc1cccs1)NC2CC2 240690a_100000212008_100000185280 [0,1,0,1,0,0|1,1,0]=4 6900 B14R2.13184 O=C(CCc1cccs1)NC2CC2 527a_100000212008_100000185280 [0,1,0,1,0,0|1,1,0]=4 6901 B14R2.13184 O=C(CSc1ccco1)NC2CC2 62a_100000182950_100009814098 [0,1,0,1,0,0|2,0,0]=4 6902 B14R2.13184 O=C(CSc1ccco1)NC2CC2 62a_100009814098_100000182950 [0,1,0,1,0,0|2,0,0]=4 6903 B14R2.13184 O=C(NCc1ccco1)NC2CC2 2708a_100000185738_100000212008 [0,1,0,1,0,0|2,0,0]=4 6904 B14R2.13184 O=C(NCc1ccco1)NC2CC2 2708a_100000212008_100000185738 [0,1,0,1,0,0|2,0,0]=4 6905 B14R2.13184 O=C(NCc1ccco1)NC2CC2 273464a_100000185738_100000212008 [0,1,0,1,0,0|2,0,0]=4 6906 B14R2.13184 O=C(NCc1ccco1)NC2CC2 512a_100000212008_100000185738 [0,1,0,1,0,0|2,0,0]=4 6907 B14R2.40225 O=C(CCc1c[nH]cn1)C2CCO2 1458a_100000089072_100020628418 [0,1,0,1,0,0|2,0,0]=4 6908 B14R2.40225 O=C(CCc1ccc[nH]1)C2CCC2 1458a_200011998680_100000749161 [0,1,0,1,0,0|2,0,0]=4 6909 B14R2.40225 O=C(CCc1ccc[nH]1)C2COC2 1458a_200011998680_100000687716 [0,1,0,1,0,0|2,0,0]=4 6910 B14R2.40225 O=C(CCc1ccc[nH]1)N2CCC2 11a_100000754969_200011998680 [0,1,0,1,0,0|2,0,0]=4 6911 B14R2.40225 O=C(CCc1ccc[nH]1)N2CCC2 240690a_100000754969_200011998680 [0,1,0,1,0,0|2,0,0]=4 6912 B14R2.40225 O=C(CCc1ccc[nH]1)N2CCC2 527a_100000754969_200011998680 [0,1,0,1,0,0|2,0,0]=4 6913 B14R2.40225 O=C(CCc1ccco1)C2CCC2 1458a_100000185103_100000749161 [0,1,0,1,0,0|1,0,0]=3 6914 B14R2.40225 O=C(CCc1ccco1)C2COC2 1458a_100000185103_100000687716 [0,1,0,1,0,0|1,0,0]=3 6915 B14R2.40225 O=C(CCc1ccco1)N2CCC2 11a_100000754969_100000185103 [0,1,0,1,0,0|1,0,0]=3 6916 B14R2.40225 O=C(CCc1ccco1)N2CCC2 527a_100000754969_100000185103 [0,1,0,1,0,0|1,0,0]=3 6917 B14R2.40225 O=C(CCc1cccs1)C2CCC2 1458a_100000185280_100000749161 [0,1,0,1,0,0|1,1,0]=4 6918 B14R2.40225 O=C(CCc1cccs1)C2CCC2 1458a_100000209988_100000748579 [0,1,0,1,0,0|1,1,0]=4 6919 B14R2.40225 O=C(CCc1cccs1)C2CCO2 1458a_100000089072_100000748579 [0,1,0,1,0,0|0,1,0]=3 6920 B14R2.40225 O=C(CCc1cccs1)C2COC2 1458a_100000185280_100000687716 [0,1,0,1,0,0|1,1,0]=4 6921 B14R2.40225 O=C(CCc1cccs1)C2COC2 1458a_100000758290_100000748579 [0,1,0,1,0,0|1,1,0]=4 6922 B14R2.40225 O=C(CCc1cccs1)N2CCC2 11a_100000754969_100000185280 [0,1,0,1,0,0|1,1,0]=4 6923 B14R2.40225 O=C(CCc1cccs1)N2CCC2 240690a_100000754969_100000185280 [0,1,0,1,0,0|1,1,0]=4 6924 B14R2.40225 O=C(CCc1cccs1)N2CCC2 527a_100000754969_100000185280 [0,1,0,1,0,0|1,1,0]=4 6925 B14R2.40225 O=C(CCn1cccc1)C2CCO2 1458a_100000089072_200000035178 [0,1,0,1,0,0|2,0,0]=4 6926 B14R2.40225 O=C(CCn1cccn1)C2CCO2 1458a_100000089072_100000685285 [0,1,0,1,0,0|2,0,0]=4 6927 B14R2.40225 O=C(CSc1ccco1)C2CCC2 62a_100000686122_100009814098 [0,1,0,1,0,0|2,0,0]=4 6928 B14R2.40225 O=C(CSc1ccco1)C2CCC2 62a_100009814098_100000686122 [0,1,0,1,0,0|2,0,0]=4 6929 B14R2.40225 O=C(CSc1ccco1)N2CCC2 62a_100000185095_100009814098 [0,1,0,1,0,0|2,0,0]=4 6930 B14R2.40225 O=C(CSc1ccco1)N2CCC2 62a_100009814098_100000185095 [0,1,0,1,0,0|2,0,0]=4 6931 B14R2.40225 O=C(NCc1ccc[nH]1)C2CCO2 11a_100000764082_100000089072 [0,1,0,1,0,0|2,0,0]=4 6932 B14R2.40225 O=C(NCc1ccc[nH]1)C2CCO2 240690a_100000764082_100000089072 [0,1,0,1,0,0|2,0,0]=4 6933 B14R2.40225 O=C(NCc1ccc[nH]1)C2CCO2 527a_100000764082_100000089072 [0,1,0,1,0,0|2,0,0]=4 6934 B14R2.40225 O=C(NCc1ccco1)C2CCC2 11a_100000185738_100000209988 [0,1,0,1,0,0|2,0,0]=4 6935 B14R2.40225 O=C(NCc1ccco1)C2CCC2 1626a_100000185738_100000209988 [0,1,0,1,0,0|2,0,0]=4 6936 B14R2.40225 O=C(NCc1ccco1)C2CCC2 240690a_100000185738_100000209988 [0,1,0,1,0,0|2,0,0]=4 6937 B14R2.40225 O=C(NCc1ccco1)C2CCC2 527a_100000185738_100000209988 [0,1,0,1,0,0|2,0,0]=4 6938 B14R2.40225 O=C(NCc1ccco1)C2CCO2 11a_100000185738_100000089072 [0,1,0,1,0,0|1,0,0]=3 6939 B14R2.40225 O=C(NCc1ccco1)C2CCO2 1626a_100000185738_100000089072 [0,1,0,1,0,0|1,0,0]=3 6940 B14R2.40225 O=C(NCc1ccco1)C2CCO2 240690a_100000185738_100000089072 [0,1,0,1,0,0|1,0,0]=3 6941 B14R2.40225 O=C(NCc1ccco1)C2CCO2 527a_100000185738_100000089072 [0,1,0,1,0,0|1,0,0]=3 6942 B14R2.40225 O=C(NCc1ccco1)C2COC2 11a_100000185738_100000758290 [0,1,0,1,0,0|2,0,0]=4 6943 B14R2.40225 O=C(NCc1ccco1)C2COC2 1626a_100000185738_100000758290 [0,1,0,1,0,0|2,0,0]=4 6944 B14R2.40225 O=C(NCc1ccco1)C2COC2 240690a_100000185738_100000758290 [0,1,0,1,0,0|2,0,0]=4 6945 B14R2.40225 O=C(NCc1ccco1)C2COC2 527a_100000185738_100000758290 [0,1,0,1,0,0|2,0,0]=4 6946 B14R2.40225 O=C(NCc1ccco1)N2CCC2 2708a_100000185738_100000754969 [0,1,0,1,0,0|2,0,0]=4 6947 B14R2.40225 O=C(NCc1ccco1)N2CCC2 273464a_100000185738_100000754969 [0,1,0,1,0,0|2,0,0]=4 6948 B14R2.40225 O=C(NCc1cccs1)C2CCO2 11a_100000211653_100000089072 [0,1,0,1,0,0|1,1,0]=4 6949 B14R2.40225 O=C(NCc1cccs1)C2CCO2 1626a_100000211653_100000089072 [0,1,0,1,0,0|1,1,0]=4 6950 B14R2.40225 O=C(NCc1cccs1)C2CCO2 240690a_100000211653_100000089072 [0,1,0,1,0,0|1,1,0]=4 6951 B14R2.40225 O=C(NCc1cccs1)C2CCO2 527a_100000211653_100000089072 [0,1,0,1,0,0|1,1,0]=4 6952 B14R2.40225 O=C(NCc1cnco1)C2CCO2 11a_100020634212_100000089072 [0,1,0,1,0,0|2,0,0]=4 6953 B14R2.40225 O=C(NCc1cnco1)C2CCO2 240690a_100020634212_100000089072 [0,1,0,1,0,0|2,0,0]=4 6954 B14R2.40225 O=C(NCc1cnco1)C2CCO2 527a_100020634212_100000089072 [0,1,0,1,0,0|2,0,0]=4 6955 B14R2.40225 O=C(NCc1ncco1)C2CCO2 11a_100016994969_100000089072 [0,1,0,1,0,0|2,0,0]=4 6956 B14R2.40225 O=C(NCc1ncco1)C2CCO2 1626a_100016994969_100000089072 [0,1,0,1,0,0|2,0,0]=4 6957 B14R2.40225 O=C(NCc1ncco1)C2CCO2 240690a_100016994969_100000089072 [0,1,0,1,0,0|2,0,0]=4 6958 B14R2.40225 O=C(NCc1ncco1)C2CCO2 527a_100016994969_100000089072 [0,1,0,1,0,0|2,0,0]=4 6959 B14R2.309 Cc1ccsc1SC2CCOC2=O 62a_100000211211_100010247149 [0,1,0,1,0,0|1,1,0]=4 6960 B14R2.309 Cc1ccsc1SC2CCOC2=O 62a_100010247149_100000211211 [0,1,0,1,0,0|1,1,0]=4 6961 B14R2.309 O=C1OCCC1Sc2sccc2Br 62a_100000211211_100012361411 [0,1,0,1,0,0|1,1,0]=4 6962 B14R2.309 O=C1OCCC1Sc2sccc2Br 62a_100012361411_100000211211 [0,1,0,1,0,0|1,1,0]=4 6963 B14R2.2946 CN1CCC(C1=O)Sc2ccco2 62a_100000755940_100009814098 [0,1,0,1,0,0|2,0,0]=4 6964 B14R2.2946 CN1CCC(C1=O)Sc2ccco2 62a_100009814098_100000755940 [0,1,0,1,0,0|2,0,0]=4 6965 B14R2.13183 CC1(CC1)C(=O)CCc2cccs2 1458a_100000756474_100000748579 [0,1,0,1,0,0|1,1,0]=4 6966 B14R2.13183 CC1(CC1)C(=O)NCc2ccco2 11a_100000185738_100000756474 [0,1,0,1,0,0|2,0,0]=4 6967 B14R2.13183 CC1(CC1)C(=O)NCc2ccco2 1626a_100000185738_100000756474 [0,1,0,1,0,0|2,0,0]=4 6968 B14R2.13183 CC1(CC1)C(=O)NCc2ccco2 240690a_100000185738_100000756474 [0,1,0,1,0,0|2,0,0]=4 6969 B14R2.13183 CC1(CC1)C(=O)NCc2ccco2 527a_100000185738_100000756474 [0,1,0,1,0,0|2,0,0]=4 6970 B14R2.13183 O=C(CCc1cccs1)C2(CC2)F 1458a_100000055089_100000748579 [0,1,0,1,0,0|1,1,0]=4 6971 B14R2.13183 O=C(CCc1cccs1)C2(CC2)O 1458a_100000241761_100000748579 [0,1,0,1,0,0|1,1,0]=4 6972 B14R2.13183 O=C(NCc1ccco1)C2(CC2)F 11a_100000185738_100000055089 [0,1,0,1,0,0|2,0,0]=4 6973 B14R2.13183 O=C(NCc1ccco1)C2(CC2)F 1626a_100000185738_100000055089 [0,1,0,1,0,0|2,0,0]=4 6974 B14R2.13183 O=C(NCc1ccco1)C2(CC2)F 240690a_100000185738_100000055089 [0,1,0,1,0,0|2,0,0]=4 6975 B14R2.13183 O=C(NCc1ccco1)C2(CC2)F 527a_100000185738_100000055089 [0,1,0,1,0,0|2,0,0]=4 6976 B14R2.13183 O=C(NCc1ccco1)C2(CC2)O 240690a_100000185738_100000241761 [0,1,0,1,0,0|2,0,0]=4 6977 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,0,1,0,1,0|0,0,2]=4 6978 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,0,1,0,1,0|0,0,2]=4 6979 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,0,1,0,1,0|2,0,0]=4 6980 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,0,1,0,1,0|0,0,2]=4 6981 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,0,1,0,1,0|1,0,1]=4 6982 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,0,1,0,1,0|1,0,1]=4 6983 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,0,1,0,1,0|1,0,1]=4 6984 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [1,0,0,0,1,0|1,0,1]=4 6985 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [1,0,0,0,1,0|1,0,1]=4 6986 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [1,0,0,0,1,0|2,0,0]=4 6987 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [1,0,0,0,1,0|2,0,0]=4 6988 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [1,0,0,0,1,0|1,0,0]=3 6989 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [1,0,0,0,1,0|0,0,0]=2 6990 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [1,0,0,0,1,0|0,1,0]=3 6991 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [1,0,0,0,1,0|2,0,0]=4 6992 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [1,0,0,0,1,0|2,0,0]=4 6993 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [1,0,0,0,1,0|2,0,0]=4 6994 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [1,0,0,0,1,0|2,0,0]=4 6995 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [1,0,0,0,1,0|2,0,0]=4 6996 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [1,0,0,0,1,0|2,0,0]=4 6997 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [1,0,0,0,1,0|1,1,0]=4 6998 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [1,0,0,0,1,0|2,0,0]=4 6999 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [1,0,0,0,1,0|2,0,0]=4 7000 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [1,0,0,0,1,0|1,0,0]=3 7001 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [1,0,0,0,1,0|1,1,0]=4 7002 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [1,0,0,0,1,0|2,0,0]=4 7003 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [1,0,0,0,1,0|2,0,0]=4 7004 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [1,0,0,0,1,0|2,0,0]=4 7005 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [1,0,0,0,1,0|2,0,0]=4 7006 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [1,0,0,0,1,0|2,0,0]=4 7007 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [1,0,0,0,1,0|2,0,0]=4 7008 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [1,0,0,0,1,0|2,0,0]=4 7009 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [1,0,0,0,1,0|2,0,0]=4 7010 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [1,0,0,0,1,0|2,0,0]=4 7011 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [1,0,0,0,1,0|2,0,0]=4 7012 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [1,0,0,0,1,0|2,0,0]=4 7013 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [1,0,0,0,1,0|1,0,0]=3 7014 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [1,0,0,0,1,0|1,0,0]=3 7015 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [1,0,0,0,1,0|1,1,0]=4 7016 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [1,0,0,0,1,0|1,1,0]=4 7017 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [1,0,0,0,1,0|1,1,0]=4 7018 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [1,0,0,0,1,0|1,0,1]=4 7019 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [1,0,0,0,1,0|1,0,1]=4 7020 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [1,0,0,0,1,0|2,0,0]=4 7021 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [1,0,0,0,1,0|1,0,0]=3 7022 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [1,0,0,0,1,0|1,1,0]=4 7023 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [1,0,0,0,1,0|2,0,0]=4 7024 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,0,0,0,2,0|1,0,1]=4 7025 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,0,0,0,2,0|1,0,1]=4 7026 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,0,0,0,2,0|2,0,0]=4 7027 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,0,0,0,2,0|2,0,0]=4 7028 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,0,0,0,2,0|2,0,0]=4 7029 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,0,0,0,2,0|2,0,0]=4 7030 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,0,0,0,2,0|2,0,0]=4 7031 B12R0.265 C=CC(C=C)OCCC(=O)OCC 34a_100000033096_100000765890 [0,0,1,0,0,1|1,0,1]=4 7032 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [1,0,0,0,0,1|1,0,1]=4 7033 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [1,0,0,0,0,1|1,0,1]=4 7034 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [1,0,0,0,0,1|1,0,1]=4 7035 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [1,0,0,0,0,1|1,0,1]=4 7036 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [1,0,0,0,0,1|1,0,1]=4 7037 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [1,0,0,0,0,1|1,0,1]=4 7038 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [1,0,0,0,0,1|1,0,1]=4 7039 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [1,0,0,0,0,1|1,0,0]=3 7040 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [1,0,0,0,0,1|1,0,0]=3 7041 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [1,0,0,0,0,1|1,0,0]=3 7042 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [1,0,0,0,0,1|1,0,0]=3 7043 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [1,0,0,0,0,1|1,0,0]=3 7044 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [1,0,0,0,0,1|1,0,0]=3 7045 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [1,0,0,0,0,1|1,0,0]=3 7046 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [1,0,0,0,0,1|1,0,0]=3 7047 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [1,0,0,0,0,1|2,0,0]=4 7048 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [1,0,0,0,0,1|2,0,0]=4 7049 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [1,0,0,0,0,1|2,0,0]=4 7050 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [1,0,0,0,0,1|2,0,0]=4 7051 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [1,0,0,0,0,1|2,0,0]=4 7052 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [1,0,0,0,0,1|2,0,0]=4 7053 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [1,0,0,0,0,1|2,0,0]=4 7054 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [1,0,0,0,0,1|2,0,0]=4 7055 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [1,0,0,0,0,1|2,0,0]=4 7056 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [1,0,0,0,0,1|2,0,0]=4 7057 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [1,0,0,0,0,1|2,0,0]=4 7058 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [1,0,0,0,0,1|2,0,0]=4 7059 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [1,0,0,0,0,1|2,0,0]=4 7060 B12R1.27 CCC(=O)CSc1cccnn1 62a_100000747405_100016991348 [1,0,0,0,0,1|2,0,0]=4 7061 B12R1.27 CCC(=O)CSc1cccnn1 62a_100016991348_100000747405 [1,0,0,0,0,1|2,0,0]=4 7062 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [1,0,0,0,0,1|2,0,0]=4 7063 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [1,0,0,0,0,1|2,0,0]=4 7064 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [1,0,0,0,0,1|2,0,0]=4 7065 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000703185_100000747405 [1,0,0,0,0,1|2,0,0]=4 7066 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000747405_100000703185 [1,0,0,0,0,1|2,0,0]=4 7067 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000211759_100000747405 [1,0,0,0,0,1|2,0,0]=4 7068 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000747405_100000211759 [1,0,0,0,0,1|2,0,0]=4 7069 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000211032_100000747405 [1,0,0,0,0,1|2,0,0]=4 7070 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000747405_100000211032 [1,0,0,0,0,1|2,0,0]=4 7071 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [1,0,0,0,0,1|2,0,0]=4 7072 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [1,0,0,0,0,1|2,0,0]=4 7073 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [1,0,0,0,0,1|2,0,0]=4 7074 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [1,0,0,0,0,1|2,0,0]=4 7075 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [1,0,0,0,0,1|2,0,0]=4 7076 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [1,0,0,0,0,1|2,0,0]=4 7077 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [1,0,0,0,0,1|2,0,0]=4 7078 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [1,0,0,0,0,1|2,0,0]=4 7079 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [1,0,0,0,0,1|2,0,0]=4 7080 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [1,0,0,0,0,1|2,0,0]=4 7081 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [1,0,0,0,0,1|2,0,0]=4 7082 B12R1.27 CCC(=O)NCc1cccnn1 11a_100159270163_100000210414 [1,0,0,0,0,1|2,0,0]=4 7083 B12R1.27 CCC(=O)NCc1cccnn1 240690a_100159270163_100000210414 [1,0,0,0,0,1|2,0,0]=4 7084 B12R1.27 CCC(=O)NCc1cccnn1 527a_100159270163_100000210414 [1,0,0,0,0,1|2,0,0]=4 7085 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [1,0,0,0,0,1|2,0,0]=4 7086 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [1,0,0,0,0,1|2,0,0]=4 7087 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [1,0,0,0,0,1|2,0,0]=4 7088 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [1,0,0,0,0,1|2,0,0]=4 7089 B12R1.27 CCC(=O)NCc1ccncn1 11a_100000736019_100000210414 [1,0,0,0,0,1|2,0,0]=4 7090 B12R1.27 CCC(=O)NCc1ccncn1 240690a_100000736019_100000210414 [1,0,0,0,0,1|2,0,0]=4 7091 B12R1.27 CCC(=O)NCc1ccncn1 527a_100000736019_100000210414 [1,0,0,0,0,1|2,0,0]=4 7092 B12R1.27 CCC(=O)NCc1cnccn1 11a_100000737960_100000210414 [1,0,0,0,0,1|2,0,0]=4 7093 B12R1.27 CCC(=O)NCc1cnccn1 240690a_100000737960_100000210414 [1,0,0,0,0,1|2,0,0]=4 7094 B12R1.27 CCC(=O)NCc1cnccn1 527a_100000737960_100000210414 [1,0,0,0,0,1|2,0,0]=4 7095 B12R1.27 CCC(=O)NCc1ncccn1 11a_100015189908_100000210414 [1,0,0,0,0,1|2,0,0]=4 7096 B12R1.27 CCC(=O)NCc1ncccn1 240690a_100015189908_100000210414 [1,0,0,0,0,1|2,0,0]=4 7097 B12R1.27 CCC(=O)NCc1ncccn1 527a_100015189908_100000210414 [1,0,0,0,0,1|2,0,0]=4 7098 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [1,0,0,0,0,1|2,0,0]=4 7099 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [1,0,0,0,0,1|2,0,0]=4 7100 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [1,0,0,0,0,1|2,0,0]=4 7101 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [1,0,0,0,0,1|2,0,0]=4 7102 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [1,0,0,0,0,1|2,0,0]=4 7103 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [1,0,0,0,0,1|2,0,0]=4 7104 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [1,0,0,0,0,1|2,0,0]=4 7105 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [1,0,0,0,0,1|2,0,0]=4 7106 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [1,0,0,0,0,1|2,0,0]=4 7107 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [1,0,0,0,0,1|2,0,0]=4 7108 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [1,0,0,0,0,1|2,0,0]=4 7109 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [1,0,0,0,0,1|2,0,0]=4 7110 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [1,0,0,0,0,1|2,0,0]=4 7111 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [1,0,0,0,0,1|2,0,0]=4 7112 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [1,0,0,0,0,1|2,0,0]=4 7113 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [1,0,0,0,0,1|2,0,0]=4 7114 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [1,0,0,0,0,1|2,0,0]=4 7115 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [1,0,0,0,0,1|2,0,0]=4 7116 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [1,0,0,0,0,1|2,0,0]=4 7117 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [1,0,0,0,0,1|2,0,0]=4 7118 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [1,0,0,0,0,1|2,0,0]=4 7119 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [1,0,0,0,0,1|2,0,0]=4 7120 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [1,0,0,0,0,1|2,0,0]=4 7121 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [1,0,0,0,0,1|2,0,0]=4 7122 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [1,0,0,0,0,1|2,0,0]=4 7123 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [1,0,0,0,0,1|2,0,0]=4 7124 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [1,0,0,0,0,1|2,0,0]=4 7125 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [1,0,0,0,0,1|2,0,0]=4 7126 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [1,0,0,0,0,1|2,0,0]=4 7127 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [1,0,0,0,0,1|2,0,0]=4 7128 B12R1.27 COC(=O)CSc1ccncn1 62a_100000703185_100000747449 [1,0,0,0,0,1|2,0,0]=4 7129 B12R1.27 COC(=O)CSc1ccncn1 62a_100000747449_100000703185 [1,0,0,0,0,1|2,0,0]=4 7130 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [1,0,0,0,0,1|2,0,0]=4 7131 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [1,0,0,0,0,1|2,0,0]=4 7132 B12R1.27 COC(=O)CSc1ncccn1 62a_100000211032_100000747449 [1,0,0,0,0,1|2,0,0]=4 7133 B12R1.27 COC(=O)CSc1ncccn1 62a_100000747449_100000211032 [1,0,0,0,0,1|2,0,0]=4 7134 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [1,0,0,0,0,1|2,0,0]=4 7135 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [1,0,0,0,0,1|2,0,0]=4 7136 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [1,0,0,0,0,1|2,0,0]=4 7137 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [1,0,0,0,0,1|2,0,0]=4 7138 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,0,0,0,0,1|2,0,0]=4 7139 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [1,0,0,0,0,1|2,0,0]=4 7140 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [1,0,0,0,0,1|2,0,0]=4 7141 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [1,0,0,0,0,1|2,0,0]=4 7142 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100000211992_100000211621 [0,0,0,0,0,2|2,0,0]=4 7143 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210303 [0,0,0,0,0,2|2,0,0]=4 7144 B14R1.520 CCCC(=O)CCCc1ccccn1 1458a_100000752327_100000210303 [0,0,0,0,0,2|2,0,0]=4 7145 B14R1.520 CCCC(=O)CCCc1ccncc1 1458a_100020654287_100000210303 [0,0,0,0,0,2|2,0,0]=4 7146 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000182761_100000210303 [0,0,0,0,0,2|2,0,0]=4 7147 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000211992_100000184471 [0,0,0,0,0,2|2,0,0]=4 7148 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000182436_100000210303 [0,0,0,0,0,2|2,0,0]=4 7149 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000211992_100000246102 [0,0,0,0,0,2|2,0,0]=4 7150 B14R1.520 CCCC(=O)CNCc1ccccc1 2230a_100015324214_100000747444 [0,0,0,0,0,2|2,0,0]=4 7151 B14R1.520 CCCC(=O)CNCc1cccnn1 2230a_100159270163_100000747444 [0,0,0,0,0,2|2,0,0]=4 7152 B14R1.520 CCCC(=O)COCc1ccccc1 1458a_100000230186_100000210303 [0,0,0,0,0,2|2,0,0]=4 7153 B14R1.520 CCCC(=O)COCc1ccccc1 7a_100000210790_100000747444 [0,0,0,0,0,2|2,0,0]=4 7154 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000150264_100000210303 [0,0,0,0,0,2|2,0,0]=4 7155 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000211992_200011217039 [0,0,0,0,0,2|2,0,0]=4 7156 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000211182_100000747444 [0,0,0,0,0,2|2,0,0]=4 7157 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000747444_100015291786 [0,0,0,0,0,2|2,0,0]=4 7158 B14R1.520 CCCC(=O)CSCc1ccccn1 1458a_100000742634_100000210303 [0,0,0,0,0,2|2,0,0]=4 7159 B14R1.520 CCCC(=O)CSCc1ccccn1 62a_100000721315_100000747444 [0,0,0,0,0,2|2,0,0]=4 7160 B14R1.520 CCCC(=O)CSCc1ccccn1 62a_100000747444_100000721315 [0,0,0,0,0,2|2,0,0]=4 7161 B14R1.520 CCCC(=O)CSCc1cccnc1 62a_100000741622_100000747444 [0,0,0,0,0,2|2,0,0]=4 7162 B14R1.520 CCCC(=O)CSCc1cccnc1 62a_100000747444_100000741622 [0,0,0,0,0,2|2,0,0]=4 7163 B14R1.520 CCCC(=O)CSCc1cccnn1 62a_100000747444_100016990269 [0,0,0,0,0,2|2,0,0]=4 7164 B14R1.520 CCCC(=O)CSCc1cccnn1 62a_100016990269_100000747444 [0,0,0,0,0,2|2,0,0]=4 7165 B14R1.520 CCCC(=O)CSCc1ccncc1 62a_100000747444_100015193705 [0,0,0,0,0,2|2,0,0]=4 7166 B14R1.520 CCCC(=O)CSCc1ccncc1 62a_100015193705_100000747444 [0,0,0,0,0,2|2,0,0]=4 7167 B14R1.520 CCCC(=O)CSCc1cnccn1 62a_100000747444_100016995436 [0,0,0,0,0,2|2,0,0]=4 7168 B14R1.520 CCCC(=O)CSCc1cnccn1 62a_100016995436_100000747444 [0,0,0,0,0,2|2,0,0]=4 7169 B14R1.520 CCCC(=O)CSCc1ncccn1 62a_100000703007_100000747444 [0,0,0,0,0,2|2,0,0]=4 7170 B14R1.520 CCCC(=O)CSCc1ncccn1 62a_100000747444_100000703007 [0,0,0,0,0,2|2,0,0]=4 7171 B14R1.520 CCCC(=O)NCCc1ccccc1 11a_100000106460_100000211992 [0,0,0,0,0,2|2,0,0]=4 7172 B14R1.520 CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000211992 [0,0,0,0,0,2|2,0,0]=4 7173 B14R1.520 CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000211992 [0,0,0,0,0,2|2,0,0]=4 7174 B14R1.520 CCCC(=O)NCCc1ccccc1 527a_100000106460_100000211992 [0,0,0,0,0,2|2,0,0]=4 7175 B14R1.520 CCCC(=O)NCCc1ccccn1 11a_100000211156_100000211992 [0,0,0,0,0,2|2,0,0]=4 7176 B14R1.520 CCCC(=O)NCCc1ccccn1 1626a_100000211156_100000211992 [0,0,0,0,0,2|2,0,0]=4 7177 B14R1.520 CCCC(=O)NCCc1ccccn1 240690a_100000211156_100000211992 [0,0,0,0,0,2|2,0,0]=4 7178 B14R1.520 CCCC(=O)NCCc1ccccn1 527a_100000211156_100000211992 [0,0,0,0,0,2|2,0,0]=4 7179 B14R1.520 CCCC(=O)NCCc1cccnc1 11a_100000736294_100000211992 [0,0,0,0,0,2|2,0,0]=4 7180 B14R1.520 CCCC(=O)NCCc1cccnc1 1626a_100000736294_100000211992 [0,0,0,0,0,2|2,0,0]=4 7181 B14R1.520 CCCC(=O)NCCc1cccnc1 240690a_100000736294_100000211992 [0,0,0,0,0,2|2,0,0]=4 7182 B14R1.520 CCCC(=O)NCCc1cccnc1 527a_100000736294_100000211992 [0,0,0,0,0,2|2,0,0]=4 7183 B14R1.520 CCCC(=O)NCCc1ccncc1 11a_100000742849_100000211992 [0,0,0,0,0,2|2,0,0]=4 7184 B14R1.520 CCCC(=O)NCCc1ccncc1 1626a_100000742849_100000211992 [0,0,0,0,0,2|2,0,0]=4 7185 B14R1.520 CCCC(=O)NCCc1ccncc1 240690a_100000742849_100000211992 [0,0,0,0,0,2|2,0,0]=4 7186 B14R1.520 CCCC(=O)NCCc1ccncc1 527a_100000742849_100000211992 [0,0,0,0,0,2|2,0,0]=4 7187 B14R1.520 CCCC(=O)NCCc1cnccn1 11a_100000723456_100000211992 [0,0,0,0,0,2|2,0,0]=4 7188 B14R1.520 CCCC(=O)NCCc1cnccn1 1626a_100000723456_100000211992 [0,0,0,0,0,2|2,0,0]=4 7189 B14R1.520 CCCC(=O)NCCc1cnccn1 240690a_100000723456_100000211992 [0,0,0,0,0,2|2,0,0]=4 7190 B14R1.520 CCCC(=O)NCCc1cnccn1 527a_100000723456_100000211992 [0,0,0,0,0,2|2,0,0]=4 7191 B14R1.520 CCNC(=O)CCCc1ccccc1 11a_100015525214_100011207963 [0,0,0,0,0,2|2,0,0]=4 7192 B14R1.520 CCNC(=O)CCCc1ccccc1 240690a_100015525214_100011207963 [0,0,0,0,0,2|2,0,0]=4 7193 B14R1.520 CCNC(=O)CCCc1ccccc1 527a_100015525214_100011207963 [0,0,0,0,0,2|2,0,0]=4 7194 B14R1.520 CCNC(=O)CCCc1ccccn1 11a_100015525214_100000752327 [0,0,0,0,0,2|2,0,0]=4 7195 B14R1.520 CCNC(=O)CCCc1ccccn1 240690a_100015525214_100000752327 [0,0,0,0,0,2|2,0,0]=4 7196 B14R1.520 CCNC(=O)CCCc1ccccn1 527a_100015525214_100000752327 [0,0,0,0,0,2|2,0,0]=4 7197 B14R1.520 CCNC(=O)CCCc1ccncc1 11a_100015525214_100020654287 [0,0,0,0,0,2|2,0,0]=4 7198 B14R1.520 CCNC(=O)CCCc1ccncc1 240690a_100015525214_100020654287 [0,0,0,0,0,2|2,0,0]=4 7199 B14R1.520 CCNC(=O)CCCc1ccncc1 527a_100015525214_100020654287 [0,0,0,0,0,2|2,0,0]=4 7200 B14R1.520 CCNC(=O)CCNc1cccnn1 27a_100025743525_100016991348 [0,0,0,0,0,2|2,0,0]=4 7201 B14R1.520 CCNC(=O)CCNc1ccncn1 27a_100025743525_100000703185 [0,0,0,0,0,2|2,0,0]=4 7202 B14R1.520 CCNC(=O)CCNc1cnccn1 27a_100025743525_100000211759 [0,0,0,0,0,2|2,0,0]=4 7203 B14R1.520 CCNC(=O)CCNc1ncccn1 27a_100025743525_100000211032 [0,0,0,0,0,2|2,0,0]=4 7204 B14R1.520 CCNC(=O)CCOc1ccccc1 11a_100015525214_100000182761 [0,0,0,0,0,2|2,0,0]=4 7205 B14R1.520 CCNC(=O)CCOc1ccccc1 240690a_100015525214_100000182761 [0,0,0,0,0,2|2,0,0]=4 7206 B14R1.520 CCNC(=O)CCOc1ccccc1 7a_100000210340_100000737597 [0,0,0,0,0,2|2,0,0]=4 7207 B14R1.520 CCNC(=O)CCOc1cccnc1 7a_100000210849_100000737597 [0,0,0,0,0,2|2,0,0]=4 7208 B14R1.520 CCNC(=O)CCSc1ccccc1 11a_100015525214_100000182436 [0,0,0,0,0,2|2,0,0]=4 7209 B14R1.520 CCNC(=O)CCSc1ccccc1 240690a_100015525214_100000182436 [0,0,0,0,0,2|2,0,0]=4 7210 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000719477_100000737597 [0,0,0,0,0,2|2,0,0]=4 7211 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000737597_100000041952 [0,0,0,0,0,2|2,0,0]=4 7212 B14R1.520 CCNC(=O)CCSc1ccccn1 62a_100000737597_100011216584 [0,0,0,0,0,2|2,0,0]=4 7213 B14R1.520 CCNC(=O)CCSc1ccccn1 62a_100011216584_100000737597 [0,0,0,0,0,2|2,0,0]=4 7214 B14R1.520 CCNC(=O)CCSc1cccnc1 62a_100000210063_100000737597 [0,0,0,0,0,2|2,0,0]=4 7215 B14R1.520 CCNC(=O)CCSc1cccnc1 62a_100000737597_100000210063 [0,0,0,0,0,2|2,0,0]=4 7216 B14R1.520 CCNC(=O)CCSc1cccnn1 62a_100000737597_100016991348 [0,0,0,0,0,2|2,0,0]=4 7217 B14R1.520 CCNC(=O)CCSc1cccnn1 62a_100016991348_100000737597 [0,0,0,0,0,2|2,0,0]=4 7218 B14R1.520 CCNC(=O)CCSc1ccncc1 62a_100000728582_100000737597 [0,0,0,0,0,2|2,0,0]=4 7219 B14R1.520 CCNC(=O)CCSc1ccncc1 62a_100000737597_100000728582 [0,0,0,0,0,2|2,0,0]=4 7220 B14R1.520 CCNC(=O)CCSc1ccncn1 62a_100000703185_100000737597 [0,0,0,0,0,2|2,0,0]=4 7221 B14R1.520 CCNC(=O)CCSc1ccncn1 62a_100000737597_100000703185 [0,0,0,0,0,2|2,0,0]=4 7222 B14R1.520 CCNC(=O)CCSc1cnccn1 62a_100000211759_100000737597 [0,0,0,0,0,2|2,0,0]=4 7223 B14R1.520 CCNC(=O)CCSc1cnccn1 62a_100000737597_100000211759 [0,0,0,0,0,2|2,0,0]=4 7224 B14R1.520 CCNC(=O)CCSc1ncccn1 62a_100000211032_100000737597 [0,0,0,0,0,2|2,0,0]=4 7225 B14R1.520 CCNC(=O)CCSc1ncccn1 62a_100000737597_100000211032 [0,0,0,0,0,2|2,0,0]=4 7226 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100015324214_100000183381 [0,0,0,0,0,2|2,0,0]=4 7227 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100016988866_100015291786 [0,0,0,0,0,2|2,0,0]=4 7228 B14R1.520 CCNC(=O)CNCc1ccccc1 270004a_100016988866_100015611070 [0,0,0,0,0,2|2,0,0]=4 7229 B14R1.520 CCNC(=O)CNCc1ccccc1 34a_100015324214_100000183381 [0,0,0,0,0,2|2,0,0]=4 7230 B14R1.520 CCNC(=O)CNCc1ccccn1 2230a_100016988866_100000721315 [0,0,0,0,0,2|2,0,0]=4 7231 B14R1.520 CCNC(=O)CNCc1ccccn1 270004a_100016988866_100000209966 [0,0,0,0,0,2|2,0,0]=4 7232 B14R1.520 CCNC(=O)CNCc1cccnc1 2230a_100016988866_100000741622 [0,0,0,0,0,2|2,0,0]=4 7233 B14R1.520 CCNC(=O)CNCc1cccnc1 270004a_100016988866_100000209961 [0,0,0,0,0,2|2,0,0]=4 7234 B14R1.520 CCNC(=O)CNCc1cccnn1 2230a_100016988866_100016990269 [0,0,0,0,0,2|2,0,0]=4 7235 B14R1.520 CCNC(=O)CNCc1cccnn1 2230a_100159270163_100000183381 [0,0,0,0,0,2|2,0,0]=4 7236 B14R1.520 CCNC(=O)CNCc1ccncc1 2230a_100016988866_100015193705 [0,0,0,0,0,2|2,0,0]=4 7237 B14R1.520 CCNC(=O)CNCc1cnccn1 2230a_100016988866_100016995436 [0,0,0,0,0,2|2,0,0]=4 7238 B14R1.520 CCNC(=O)CNCc1cnccn1 270004a_100016988866_100000749867 [0,0,0,0,0,2|2,0,0]=4 7239 B14R1.520 CCNC(=O)CNCc1ncccn1 2230a_100016988866_100000703007 [0,0,0,0,0,2|2,0,0]=4 7240 B14R1.520 CCNC(=O)CNCc1ncccn1 270004a_100016988866_100011532527 [0,0,0,0,0,2|2,0,0]=4 7241 B14R1.520 CCNC(=O)COCc1ccccc1 11a_100015525214_100000230186 [0,0,0,0,0,2|2,0,0]=4 7242 B14R1.520 CCNC(=O)COCc1ccccc1 240690a_100015525214_100000230186 [0,0,0,0,0,2|2,0,0]=4 7243 B14R1.520 CCNC(=O)COCc1ccccc1 34a_100000210790_100000183381 [0,0,0,0,0,2|2,0,0]=4 7244 B14R1.520 CCNC(=O)COCc1ccccc1 527a_100015525214_100000230186 [0,0,0,0,0,2|2,0,0]=4 7245 B14R1.520 CCNC(=O)COCc1ccccc1 7a_100000210790_100000183381 [0,0,0,0,0,2|2,0,0]=4 7246 B14R1.520 CCNC(=O)CSCc1ccccc1 11a_100015525214_100000150264 [0,0,0,0,0,2|2,0,0]=4 7247 B14R1.520 CCNC(=O)CSCc1ccccc1 240690a_100015525214_100000150264 [0,0,0,0,0,2|2,0,0]=4 7248 B14R1.520 CCNC(=O)CSCc1ccccc1 527a_100015525214_100000150264 [0,0,0,0,0,2|2,0,0]=4 7249 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000183381_100015291786 [0,0,0,0,0,2|2,0,0]=4 7250 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000211182_100000183381 [0,0,0,0,0,2|2,0,0]=4 7251 B14R1.520 CCNC(=O)CSCc1ccccn1 11a_100015525214_100000742634 [0,0,0,0,0,2|2,0,0]=4 7252 B14R1.520 CCNC(=O)CSCc1ccccn1 240690a_100015525214_100000742634 [0,0,0,0,0,2|2,0,0]=4 7253 B14R1.520 CCNC(=O)CSCc1ccccn1 527a_100015525214_100000742634 [0,0,0,0,0,2|2,0,0]=4 7254 B14R1.520 CCNC(=O)CSCc1ccccn1 62a_100000183381_100000721315 [0,0,0,0,0,2|2,0,0]=4 7255 B14R1.520 CCNC(=O)CSCc1ccccn1 62a_100000721315_100000183381 [0,0,0,0,0,2|2,0,0]=4 7256 B14R1.520 CCNC(=O)CSCc1cccnc1 62a_100000183381_100000741622 [0,0,0,0,0,2|2,0,0]=4 7257 B14R1.520 CCNC(=O)CSCc1cccnc1 62a_100000741622_100000183381 [0,0,0,0,0,2|2,0,0]=4 7258 B14R1.520 CCNC(=O)CSCc1cccnn1 62a_100000183381_100016990269 [0,0,0,0,0,2|2,0,0]=4 7259 B14R1.520 CCNC(=O)CSCc1cccnn1 62a_100016990269_100000183381 [0,0,0,0,0,2|2,0,0]=4 7260 B14R1.520 CCNC(=O)CSCc1ccncc1 240690a_100015525214_100000742635 [0,0,0,0,0,2|2,0,0]=4 7261 B14R1.520 CCNC(=O)CSCc1ccncc1 527a_100015525214_100000742635 [0,0,0,0,0,2|2,0,0]=4 7262 B14R1.520 CCNC(=O)CSCc1ccncc1 62a_100000183381_100015193705 [0,0,0,0,0,2|2,0,0]=4 7263 B14R1.520 CCNC(=O)CSCc1ccncc1 62a_100015193705_100000183381 [0,0,0,0,0,2|2,0,0]=4 7264 B14R1.520 CCNC(=O)CSCc1cnccn1 62a_100000183381_100016995436 [0,0,0,0,0,2|2,0,0]=4 7265 B14R1.520 CCNC(=O)CSCc1cnccn1 62a_100016995436_100000183381 [0,0,0,0,0,2|2,0,0]=4 7266 B14R1.520 CCNC(=O)CSCc1ncccn1 62a_100000183381_100000703007 [0,0,0,0,0,2|2,0,0]=4 7267 B14R1.520 CCNC(=O)CSCc1ncccn1 62a_100000703007_100000183381 [0,0,0,0,0,2|2,0,0]=4 7268 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100000106460_100015525214 [0,0,0,0,0,2|2,0,0]=4 7269 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100015525214_100000106460 [0,0,0,0,0,2|2,0,0]=4 7270 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100000106460_100015525214 [0,0,0,0,0,2|2,0,0]=4 7271 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100015525214_100000106460 [0,0,0,0,0,2|2,0,0]=4 7272 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100000106460_100015525214 [0,0,0,0,0,2|2,0,0]=4 7273 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100015525214_100000106460 [0,0,0,0,0,2|2,0,0]=4 7274 B14R1.520 CCNC(=O)NCCc1ccccn1 2708a_100000211156_100015525214 [0,0,0,0,0,2|2,0,0]=4 7275 B14R1.520 CCNC(=O)NCCc1ccccn1 2708a_100015525214_100000211156 [0,0,0,0,0,2|2,0,0]=4 7276 B14R1.520 CCNC(=O)NCCc1ccccn1 273464a_100000211156_100015525214 [0,0,0,0,0,2|2,0,0]=4 7277 B14R1.520 CCNC(=O)NCCc1ccccn1 273464a_100015525214_100000211156 [0,0,0,0,0,2|2,0,0]=4 7278 B14R1.520 CCNC(=O)NCCc1ccccn1 512a_100015525214_100000211156 [0,0,0,0,0,2|2,0,0]=4 7279 B14R1.520 CCNC(=O)NCCc1cccnc1 2708a_100000736294_100015525214 [0,0,0,0,0,2|2,0,0]=4 7280 B14R1.520 CCNC(=O)NCCc1cccnc1 2708a_100015525214_100000736294 [0,0,0,0,0,2|2,0,0]=4 7281 B14R1.520 CCNC(=O)NCCc1cccnc1 273464a_100000736294_100015525214 [0,0,0,0,0,2|2,0,0]=4 7282 B14R1.520 CCNC(=O)NCCc1cccnc1 273464a_100015525214_100000736294 [0,0,0,0,0,2|2,0,0]=4 7283 B14R1.520 CCNC(=O)NCCc1cccnc1 512a_100000736294_100015525214 [0,0,0,0,0,2|2,0,0]=4 7284 B14R1.520 CCNC(=O)NCCc1cccnc1 512a_100015525214_100000736294 [0,0,0,0,0,2|2,0,0]=4 7285 B14R1.520 CCNC(=O)NCCc1ccncc1 2708a_100000742849_100015525214 [0,0,0,0,0,2|2,0,0]=4 7286 B14R1.520 CCNC(=O)NCCc1ccncc1 2708a_100015525214_100000742849 [0,0,0,0,0,2|2,0,0]=4 7287 B14R1.520 CCNC(=O)NCCc1ccncc1 273464a_100000742849_100015525214 [0,0,0,0,0,2|2,0,0]=4 7288 B14R1.520 CCNC(=O)NCCc1ccncc1 273464a_100015525214_100000742849 [0,0,0,0,0,2|2,0,0]=4 7289 B14R1.520 CCNC(=O)NCCc1ccncc1 512a_100015525214_100000742849 [0,0,0,0,0,2|2,0,0]=4 7290 B14R1.520 CCNC(=O)NCCc1cnccn1 2708a_100000723456_100015525214 [0,0,0,0,0,2|2,0,0]=4 7291 B14R1.520 CCNC(=O)NCCc1cnccn1 2708a_100015525214_100000723456 [0,0,0,0,0,2|2,0,0]=4 7292 B14R1.520 CCNC(=O)NCCc1cnccn1 273464a_100000723456_100015525214 [0,0,0,0,0,2|2,0,0]=4 7293 B14R1.520 CCNC(=O)NCCc1cnccn1 273464a_100015525214_100000723456 [0,0,0,0,0,2|2,0,0]=4 7294 B14R1.520 CCNC(=O)NCCc1cnccn1 512a_100000723456_100015525214 [0,0,0,0,0,2|2,0,0]=4 7295 B14R1.520 CCNC(=O)NCCc1cnccn1 512a_100015525214_100000723456 [0,0,0,0,0,2|2,0,0]=4 7296 B14R1.520 CCOC(=O)CCNc1ccccc1 34a_100000106764_100000765890 [0,0,0,0,0,2|1,0,0]=3 7297 B14R1.520 CCOC(=O)CCOc1ccccc1 34a_100000210340_100000765890 [0,0,0,0,0,2|1,0,0]=3 7298 B14R1.520 CCOC(=O)CCOc1ccccc1 7a_100000210340_100011206558 [0,0,0,0,0,2|1,0,0]=3 7299 B14R1.520 CCOC(=O)CCOc1cccnc1 34a_100000210849_100000765890 [0,0,0,0,0,2|1,0,0]=3 7300 B14R1.520 CCOC(=O)CCOc1cccnc1 7a_100000210849_100011206558 [0,0,0,0,0,2|1,0,0]=3 7301 B14R1.520 CCOC(=O)CCOc1ccncc1 34a_100000212176_100000765890 [0,0,0,0,0,2|1,0,0]=3 7302 B14R1.520 CCOC(=O)CCOc1ccnnc1 34a_100015204005_100000765890 [0,0,0,0,0,2|2,0,0]=4 7303 B14R1.520 CCOC(=O)CCOc1cncnc1 7a_100000754086_100011206558 [0,0,0,0,0,2|2,0,0]=4 7304 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000719477_100000765890 [0,0,0,0,0,2|1,0,0]=3 7305 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000765890_100000041952 [0,0,0,0,0,2|1,0,0]=3 7306 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100000765890_100011216584 [0,0,0,0,0,2|1,0,0]=3 7307 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100011216584_100000765890 [0,0,0,0,0,2|1,0,0]=3 7308 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000210063_100000765890 [0,0,0,0,0,2|1,0,0]=3 7309 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000765890_100000210063 [0,0,0,0,0,2|1,0,0]=3 7310 B14R1.520 CCOC(=O)CCSc1cccnn1 62a_100000765890_100016991348 [0,0,0,0,0,2|1,0,0]=3 7311 B14R1.520 CCOC(=O)CCSc1cccnn1 62a_100016991348_100000765890 [0,0,0,0,0,2|1,0,0]=3 7312 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000728582_100000765890 [0,0,0,0,0,2|1,0,0]=3 7313 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000765890_100000728582 [0,0,0,0,0,2|1,0,0]=3 7314 B14R1.520 CCOC(=O)CCSc1ccncn1 62a_100000703185_100000765890 [0,0,0,0,0,2|1,0,0]=3 7315 B14R1.520 CCOC(=O)CCSc1ccncn1 62a_100000765890_100000703185 [0,0,0,0,0,2|1,0,0]=3 7316 B14R1.520 CCOC(=O)CCSc1ccnnc1 62a_100000732662_100000765890 [0,0,0,0,0,2|2,0,0]=4 7317 B14R1.520 CCOC(=O)CCSc1ccnnc1 62a_100000765890_100000732662 [0,0,0,0,0,2|2,0,0]=4 7318 B14R1.520 CCOC(=O)CCSc1cnccn1 62a_100000211759_100000765890 [0,0,0,0,0,2|1,0,0]=3 7319 B14R1.520 CCOC(=O)CCSc1cnccn1 62a_100000765890_100000211759 [0,0,0,0,0,2|1,0,0]=3 7320 B14R1.520 CCOC(=O)CCSc1cncnc1 62a_100000765890_100011206942 [0,0,0,0,0,2|2,0,0]=4 7321 B14R1.520 CCOC(=O)CCSc1cncnc1 62a_100011206942_100000765890 [0,0,0,0,0,2|2,0,0]=4 7322 B14R1.520 CCOC(=O)CCSc1ncccn1 62a_100000211032_100000765890 [0,0,0,0,0,2|1,0,0]=3 7323 B14R1.520 CCOC(=O)CCSc1ncccn1 62a_100000765890_100000211032 [0,0,0,0,0,2|1,0,0]=3 7324 B14R1.520 CCOC(=O)CNCc1ccccc1 2230a_100015324214_100000188475 [0,0,0,0,0,2|1,0,0]=3 7325 B14R1.520 CCOC(=O)CNCc1ccccc1 34a_100015324214_100000188475 [0,0,0,0,0,2|1,0,0]=3 7326 B14R1.520 CCOC(=O)CNCc1cccnn1 2230a_100159270163_100000188475 [0,0,0,0,0,2|1,0,0]=3 7327 B14R1.520 CCOC(=O)CNCc1cncnc1 2230a_100011243677_100000188475 [0,0,0,0,0,2|2,0,0]=4 7328 B14R1.520 CCOC(=O)COCC1CCC=CO1 34a_100011217868_100000188475 [0,0,0,0,0,2|0,0,2]=4 7329 B14R1.520 CCOC(=O)COCc1ccccc1 34a_100000210790_100000188475 [0,0,0,0,0,2|1,0,0]=3 7330 B14R1.520 CCOC(=O)COCc1ccccc1 7a_100000210790_100000188475 [0,0,0,0,0,2|1,0,0]=3 7331 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000188475_100015291786 [0,0,0,0,0,2|1,0,0]=3 7332 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000211182_100000188475 [0,0,0,0,0,2|1,0,0]=3 7333 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000188475_100000721315 [0,0,0,0,0,2|1,0,0]=3 7334 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000721315_100000188475 [0,0,0,0,0,2|1,0,0]=3 7335 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000188475_100000741622 [0,0,0,0,0,2|1,0,0]=3 7336 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000741622_100000188475 [0,0,0,0,0,2|1,0,0]=3 7337 B14R1.520 CCOC(=O)CSCc1cccnn1 62a_100000188475_100016990269 [0,0,0,0,0,2|1,0,0]=3 7338 B14R1.520 CCOC(=O)CSCc1cccnn1 62a_100016990269_100000188475 [0,0,0,0,0,2|1,0,0]=3 7339 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100000188475_100015193705 [0,0,0,0,0,2|1,0,0]=3 7340 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100015193705_100000188475 [0,0,0,0,0,2|1,0,0]=3 7341 B14R1.520 CCOC(=O)CSCc1cnccn1 62a_100000188475_100016995436 [0,0,0,0,0,2|1,0,0]=3 7342 B14R1.520 CCOC(=O)CSCc1cnccn1 62a_100016995436_100000188475 [0,0,0,0,0,2|1,0,0]=3 7343 B14R1.520 CCOC(=O)CSCc1cncnc1 62a_100000188475_100015196519 [0,0,0,0,0,2|2,0,0]=4 7344 B14R1.520 CCOC(=O)CSCc1cncnc1 62a_100015196519_100000188475 [0,0,0,0,0,2|2,0,0]=4 7345 B14R1.520 CCOC(=O)CSCc1ncccn1 62a_100000188475_100000703007 [0,0,0,0,0,2|1,0,0]=3 7346 B14R1.520 CCOC(=O)CSCc1ncccn1 62a_100000703007_100000188475 [0,0,0,0,0,2|1,0,0]=3 7347 B14R1.520 CCOC(=O)OCSc1ccccc1 62a_100000719477_100000075025 [0,0,0,0,0,2|2,0,0]=4 7348 B14R1.520 CCOC(=O)OCSc1ccccn1 62a_100011216584_100000075025 [0,0,0,0,0,2|2,0,0]=4 7349 B14R1.520 CCOC(=O)OCSc1cccnc1 62a_100000210063_100000075025 [0,0,0,0,0,2|2,0,0]=4 7350 B14R1.520 CCOC(=O)OCSc1cccnn1 62a_100016991348_100000075025 [0,0,0,0,0,2|2,0,0]=4 7351 B14R1.520 CCOC(=O)OCSc1ccncc1 62a_100000728582_100000075025 [0,0,0,0,0,2|2,0,0]=4 7352 B14R1.520 CCOC(=O)OCSc1ccncn1 62a_100000703185_100000075025 [0,0,0,0,0,2|2,0,0]=4 7353 B14R1.520 CCOC(=O)OCSc1cnccn1 62a_100000211759_100000075025 [0,0,0,0,0,2|2,0,0]=4 7354 B14R1.520 CCOC(=O)OCSc1ncccn1 62a_100000211032_100000075025 [0,0,0,0,0,2|2,0,0]=4 7355 B14R1.609 C=COC(=O)CNCCc1ccco1 2230a_100000694680_100000036128 [0,0,0,0,0,2|0,0,2]=4 7356 B14R1.609 C=COC(=O)CNCCc1ccco1 34a_100000694680_100000036128 [0,0,0,0,0,2|0,0,2]=4 7357 B14R1.609 CCCC(=O)CCCCc1cccs1 1458a_100011216592_100000210303 [0,0,0,0,0,2|1,1,0]=4 7358 B14R1.609 CCCC(=O)CNCCc1ccco1 2230a_100000694680_100000747444 [0,0,0,0,0,2|1,0,0]=3 7359 B14R1.609 CCCC(=O)CNCCc1cccs1 2230a_100000203755_100000747444 [0,0,0,0,0,2|1,1,0]=4 7360 B14R1.609 CCCC(=O)COCCc1cccs1 7a_100011216825_100000747444 [0,0,0,0,0,2|1,1,0]=4 7361 B14R1.609 CCCC(=O)CSCCc1cccs1 62a_100000747444_100000748579 [0,0,0,0,0,2|1,1,0]=4 7362 B14R1.609 CCCC(=O)CSCCc1cccs1 62a_100000748579_100000747444 [0,0,0,0,0,2|1,1,0]=4 7363 B14R1.609 CCCC(=O)OCNCc1ccco1 2230a_100000185738_100000034017 [0,0,0,0,0,2|1,0,0]=3 7364 B14R1.609 CCCC(=O)OCNCc1ccco1 34a_100000185738_100000034017 [0,0,0,0,0,2|1,0,0]=3 7365 B14R1.609 CCCC(=O)OCNCc1cccs1 2230a_100000211653_100000034017 [0,0,0,0,0,2|1,1,0]=4 7366 B14R1.609 CCCC(=O)OCNCc1ncco1 2230a_100016994969_100000034017 [0,0,0,0,0,2|2,0,0]=4 7367 B14R1.609 CCCC(=O)OCOCc1ccco1 34a_100000210059_100000034017 [0,0,0,0,0,2|1,0,0]=3 7368 B14R1.609 CCCC(=O)OCOCc1cccs1 34a_100000211240_100000034017 [0,0,0,0,0,2|1,1,0]=4 7369 B14R1.609 CCCC(=O)OCOCc1ccno1 34a_100000740478_100000034017 [0,0,0,0,0,2|2,0,0]=4 7370 B14R1.609 CCCC(=O)OCOCc1ncco1 34a_100000062594_100000034017 [0,0,0,0,0,2|2,0,0]=4 7371 B14R1.609 CCCC(=O)OCSCc1ncco1 62a_103436540062_100000034017 [0,0,0,0,0,2|2,0,0]=4 7372 B14R1.609 CCNC(=O)CCCCc1cccs1 11a_100015525214_100011216592 [0,0,0,0,0,2|1,1,0]=4 7373 B14R1.609 CCNC(=O)CCCCc1cccs1 240690a_100015525214_100011216592 [0,0,0,0,0,2|1,1,0]=4 7374 B14R1.609 CCNC(=O)CCCCc1cccs1 527a_100015525214_100011216592 [0,0,0,0,0,2|1,1,0]=4 7375 B14R1.609 CCNC(=O)CCNCc1ccco1 207a_100025743525_100000186105 [0,0,0,0,0,2|1,0,0]=3 7376 B14R1.609 CCNC(=O)CCNCc1ccco1 2230a_100000185738_100000737597 [0,0,0,0,0,2|1,0,0]=3 7377 B14R1.609 CCNC(=O)CCNCc1ccco1 270004a_100025743525_100000186105 [0,0,0,0,0,2|1,0,0]=3 7378 B14R1.609 CCNC(=O)CCNCc1cccs1 207a_100025743525_100000209959 [0,0,0,0,0,2|1,1,0]=4 7379 B14R1.609 CCNC(=O)CCNCc1cccs1 2230a_100000211653_100000737597 [0,0,0,0,0,2|1,1,0]=4 7380 B14R1.609 CCNC(=O)CCNCc1cccs1 270004a_100025743525_100000209959 [0,0,0,0,0,2|1,1,0]=4 7381 B14R1.609 CCNC(=O)CCNCc1cnco1 270004a_100025743525_100000064291 [0,0,0,0,0,2|2,0,0]=4 7382 B14R1.609 CCNC(=O)CCNCc1ncco1 2230a_100016994969_100000737597 [0,0,0,0,0,2|2,0,0]=4 7383 B14R1.609 CCNC(=O)CCNCc1ncco1 270004a_100025743525_100000064290 [0,0,0,0,0,2|2,0,0]=4 7384 B14R1.609 CCNC(=O)CCNCc1ncco1 34a_100025743525_103436540062 [0,0,0,0,0,2|2,0,0]=4 7385 B14R1.609 CCNC(=O)CCSCc1ncco1 62a_100000737597_103436540062 [0,0,0,0,0,2|2,0,0]=4 7386 B14R1.609 CCNC(=O)CCSCc1ncco1 62a_103436540062_100000737597 [0,0,0,0,0,2|2,0,0]=4 7387 B14R1.609 CCNC(=O)CNCCc1ccco1 2230a_100000694680_100000183381 [0,0,0,0,0,2|1,0,0]=3 7388 B14R1.609 CCNC(=O)CNCCc1ccco1 34a_100000694680_100000183381 [0,0,0,0,0,2|1,0,0]=3 7389 B14R1.609 CCNC(=O)CNCCc1cccs1 2230a_100000203755_100000183381 [0,0,0,0,0,2|1,1,0]=4 7390 B14R1.609 CCNC(=O)CNCCc1cccs1 2230a_100016988866_100000748579 [0,0,0,0,0,2|1,1,0]=4 7391 B14R1.609 CCNC(=O)CNCCc1cccs1 34a_100000203755_100000183381 [0,0,0,0,0,2|1,1,0]=4 7392 B14R1.609 CCNC(=O)COCCc1cccs1 34a_100011216825_100000183381 [0,0,0,0,0,2|1,1,0]=4 7393 B14R1.609 CCNC(=O)COCCc1cccs1 7a_100011216825_100000183381 [0,0,0,0,0,2|1,1,0]=4 7394 B14R1.609 CCNC(=O)CSCCc1cccs1 62a_100000183381_100000748579 [0,0,0,0,0,2|1,1,0]=4 7395 B14R1.609 CCNC(=O)CSCCc1cccs1 62a_100000748579_100000183381 [0,0,0,0,0,2|1,1,0]=4 7396 B14R1.609 CCOC(=O)/C=C/CSc1ccco1 62a_100009814098_100016267167 [0,0,0,0,0,2|0,0,1]=3 7397 B14R1.609 CCOC(=O)/C=C/CSc1ccco1 62a_100016267167_100009814098 [0,0,0,0,0,2|0,0,1]=3 7398 B14R1.609 CCOC(=O)/C=C/CSc1cccs1 62a_100011215356_100016267167 [0,0,0,0,0,2|0,1,1]=4 7399 B14R1.609 CCOC(=O)/C=C/CSc1cccs1 62a_100016267167_100011215356 [0,0,0,0,0,2|0,1,1]=4 7400 B14R1.609 CCOC(=O)/C=C/CSc1cnco1 62a_100016267167_100020591547 [0,0,0,0,0,2|1,0,1]=4 7401 B14R1.609 CCOC(=O)/C=C/CSc1cnco1 62a_100020591547_100016267167 [0,0,0,0,0,2|1,0,1]=4 7402 B14R1.609 CCOC(=O)/C=C/CSc1ncco1 62a_100011787736_100016267167 [0,0,0,0,0,2|1,0,1]=4 7403 B14R1.609 CCOC(=O)/C=C/CSc1ncco1 62a_100016267167_100011787736 [0,0,0,0,0,2|1,0,1]=4 7404 B14R1.609 CCOC(=O)CCCOc1ccsc1 34a_100000106738_100009991533 [0,0,0,0,0,2|2,0,0]=4 7405 B14R1.609 CCOC(=O)CCCOc1ccsc1 7a_100000106738_100011215271 [0,0,0,0,0,2|2,0,0]=4 7406 B14R1.609 CCOC(=O)CCCSc1c[nH]cn1 62a_100000756875_100009991533 [0,0,0,0,0,2|2,0,0]=4 7407 B14R1.609 CCOC(=O)CCCSc1c[nH]cn1 62a_100009991533_100000756875 [0,0,0,0,0,2|2,0,0]=4 7408 B14R1.609 CCOC(=O)CCCSc1cc[nH]n1 62a_100000062575_100009991533 [0,0,0,0,0,2|2,0,0]=4 7409 B14R1.609 CCOC(=O)CCCSc1cc[nH]n1 62a_100009991533_100000062575 [0,0,0,0,0,2|2,0,0]=4 7410 B14R1.609 CCOC(=O)CCCSc1ccco1 62a_100009814098_100009991533 [0,0,0,0,0,2|0,0,0]=2 7411 B14R1.609 CCOC(=O)CCCSc1ccco1 62a_100009991533_100009814098 [0,0,0,0,0,2|0,0,0]=2 7412 B14R1.609 CCOC(=O)CCCSc1cccs1 62a_100009991533_100011215356 [0,0,0,0,0,2|0,1,0]=3 7413 B14R1.609 CCOC(=O)CCCSc1cccs1 62a_100011215356_100009991533 [0,0,0,0,0,2|0,1,0]=3 7414 B14R1.609 CCOC(=O)CCCSc1ccoc1 62a_100009991533_100011215275 [0,0,0,0,0,2|2,0,0]=4 7415 B14R1.609 CCOC(=O)CCCSc1ccoc1 62a_100011215275_100009991533 [0,0,0,0,0,2|2,0,0]=4 7416 B14R1.609 CCOC(=O)CCCSc1ccon1 62a_100009818083_100009991533 [0,0,0,0,0,2|2,0,0]=4 7417 B14R1.609 CCOC(=O)CCCSc1ccon1 62a_100009991533_100009818083 [0,0,0,0,0,2|2,0,0]=4 7418 B14R1.609 CCOC(=O)CCCSc1ccsc1 62a_100000738268_100009991533 [0,0,0,0,0,2|2,0,0]=4 7419 B14R1.609 CCOC(=O)CCCSc1ccsc1 62a_100009991533_100000738268 [0,0,0,0,0,2|2,0,0]=4 7420 B14R1.609 CCOC(=O)CCCSc1ccsn1 62a_100009818082_100009991533 [0,0,0,0,0,2|2,0,0]=4 7421 B14R1.609 CCOC(=O)CCCSc1ccsn1 62a_100009991533_100009818082 [0,0,0,0,0,2|2,0,0]=4 7422 B14R1.609 CCOC(=O)CCCSc1cnco1 62a_100009991533_100020591547 [0,0,0,0,0,2|1,0,0]=3 7423 B14R1.609 CCOC(=O)CCCSc1cnco1 62a_100020591547_100009991533 [0,0,0,0,0,2|1,0,0]=3 7424 B14R1.609 CCOC(=O)CCCSc1cncs1 62a_100009991533_100011934649 [0,0,0,0,0,2|1,1,0]=4 7425 B14R1.609 CCOC(=O)CCCSc1cncs1 62a_100011934649_100009991533 [0,0,0,0,0,2|1,1,0]=4 7426 B14R1.609 CCOC(=O)CCCSc1cscn1 62a_100000751502_100009991533 [0,0,0,0,0,2|2,0,0]=4 7427 B14R1.609 CCOC(=O)CCCSc1cscn1 62a_100009991533_100000751502 [0,0,0,0,0,2|2,0,0]=4 7428 B14R1.609 CCOC(=O)CCCSc1ncc[nH]1 62a_100009991533_100025796157 [0,0,0,0,0,2|2,0,0]=4 7429 B14R1.609 CCOC(=O)CCCSc1ncc[nH]1 62a_100025796157_100009991533 [0,0,0,0,0,2|2,0,0]=4 7430 B14R1.609 CCOC(=O)CCCSc1ncco1 62a_100009991533_100011787736 [0,0,0,0,0,2|1,0,0]=3 7431 B14R1.609 CCOC(=O)CCCSc1ncco1 62a_100011787736_100009991533 [0,0,0,0,0,2|1,0,0]=3 7432 B14R1.609 CCOC(=O)CCCSc1nccs1 62a_100000211983_100009991533 [0,0,0,0,0,2|1,1,0]=4 7433 B14R1.609 CCOC(=O)CCCSc1nccs1 62a_100009991533_100000211983 [0,0,0,0,0,2|1,1,0]=4 7434 B14R1.609 CCOC(=O)CCNCc1ccco1 2230a_100000185738_100011206558 [0,0,0,0,0,2|0,0,0]=2 7435 B14R1.609 CCOC(=O)CCNCc1ccco1 34a_100000185738_100000765890 [0,0,0,0,0,2|0,0,0]=2 7436 B14R1.609 CCOC(=O)CCNCc1cccs1 2230a_100000211653_100011206558 [0,0,0,0,0,2|0,1,0]=3 7437 B14R1.609 CCOC(=O)CCNCc1ccoc1 2230a_100015206860_100011206558 [0,0,0,0,0,2|2,0,0]=4 7438 B14R1.609 CCOC(=O)CCNCc1ccoc1 34a_100015206860_100000765890 [0,0,0,0,0,2|2,0,0]=4 7439 B14R1.609 CCOC(=O)CCNCc1ccsc1 2230a_100000186416_100011206558 [0,0,0,0,0,2|2,0,0]=4 7440 B14R1.609 CCOC(=O)CCNCc1ccsc1 34a_100000186416_100000765890 [0,0,0,0,0,2|2,0,0]=4 7441 B14R1.609 CCOC(=O)CCNCc1cncs1 2230a_100016987365_100011206558 [0,0,0,0,0,2|1,1,0]=4 7442 B14R1.609 CCOC(=O)CCNCc1cscn1 2230a_100015185402_100011206558 [0,0,0,0,0,2|2,0,0]=4 7443 B14R1.609 CCOC(=O)CCNCc1ncco1 2230a_100016994969_100011206558 [0,0,0,0,0,2|1,0,0]=3 7444 B14R1.609 CCOC(=O)CCNCc1nccs1 2230a_100000740555_100011206558 [0,0,0,0,0,2|1,1,0]=4 7445 B14R1.609 CCOC(=O)CCOCc1ccco1 34a_100000210059_100000765890 [0,0,0,0,0,2|0,0,0]=2 7446 B14R1.609 CCOC(=O)CCOCc1cccs1 34a_100000211240_100000765890 [0,0,0,0,0,2|0,1,0]=3 7447 B14R1.609 CCOC(=O)CCOCc1ccno1 34a_100000740478_100000765890 [0,0,0,0,0,2|1,0,0]=3 7448 B14R1.609 CCOC(=O)CCOCc1ccoc1 34a_100011215357_100000765890 [0,0,0,0,0,2|2,0,0]=4 7449 B14R1.609 CCOC(=O)CCOCc1ccsc1 34a_100011215551_100000765890 [0,0,0,0,0,2|2,0,0]=4 7450 B14R1.609 CCOC(=O)CCOCc1ncco1 34a_100000062594_100000765890 [0,0,0,0,0,2|1,0,0]=3 7451 B14R1.609 CCOC(=O)CCOCn1cccn1 34a_100000731028_100000765890 [0,0,0,0,0,2|2,0,0]=4 7452 B14R1.609 CCOC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000765890 [0,0,0,0,0,2|2,0,0]=4 7453 B14R1.609 CCOC(=O)CCSCc1c[nH]cn1 62a_100000765890_100000707719 [0,0,0,0,0,2|2,0,0]=4 7454 B14R1.609 CCOC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000765890 [0,0,0,0,0,2|2,0,0]=4 7455 B14R1.609 CCOC(=O)CCSCc1ccn[nH]1 62a_100000765890_100000728653 [0,0,0,0,0,2|2,0,0]=4 7456 B14R1.609 CCOC(=O)CCSCc1ccon1 62a_100000234950_100000765890 [0,0,0,0,0,2|2,0,0]=4 7457 B14R1.609 CCOC(=O)CCSCc1ccon1 62a_100000765890_100000234950 [0,0,0,0,0,2|2,0,0]=4 7458 B14R1.609 CCOC(=O)CCSCc1ccsc1 62a_100000765890_100011233845 [0,0,0,0,0,2|2,0,0]=4 7459 B14R1.609 CCOC(=O)CCSCc1ccsc1 62a_100011261437_100000765890 [0,0,0,0,0,2|2,0,0]=4 7460 B14R1.609 CCOC(=O)CCSCc1cncs1 62a_100000765890_100015185245 [0,0,0,0,0,2|1,1,0]=4 7461 B14R1.609 CCOC(=O)CCSCc1cncs1 62a_100015185245_100000765890 [0,0,0,0,0,2|1,1,0]=4 7462 B14R1.609 CCOC(=O)CCSCc1cscn1 62a_100000205941_100000765890 [0,0,0,0,0,2|2,0,0]=4 7463 B14R1.609 CCOC(=O)CCSCc1cscn1 62a_100000765890_100000205941 [0,0,0,0,0,2|2,0,0]=4 7464 B14R1.609 CCOC(=O)CCSCc1ncc[nH]1 62a_100000765890_100016991755 [0,0,0,0,0,2|2,0,0]=4 7465 B14R1.609 CCOC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000765890 [0,0,0,0,0,2|2,0,0]=4 7466 B14R1.609 CCOC(=O)CCSCc1ncco1 62a_100000765890_103436540062 [0,0,0,0,0,2|1,0,0]=3 7467 B14R1.609 CCOC(=O)CCSCc1ncco1 62a_103436540062_100000765890 [0,0,0,0,0,2|1,0,0]=3 7468 B14R1.609 CCOC(=O)CCSCc1nccs1 62a_100000765890_100015184050 [0,0,0,0,0,2|1,1,0]=4 7469 B14R1.609 CCOC(=O)CCSCc1nccs1 62a_100015184050_100000765890 [0,0,0,0,0,2|1,1,0]=4 7470 B14R1.609 CCOC(=O)CNCCc1ccco1 2230a_100000694680_100000188475 [0,0,0,0,0,2|0,0,0]=2 7471 B14R1.609 CCOC(=O)CNCCc1ccco1 34a_100000694680_100000188475 [0,0,0,0,0,2|0,0,0]=2 7472 B14R1.609 CCOC(=O)CNCCc1cccs1 2230a_100000203755_100000188475 [0,0,0,0,0,2|0,1,0]=3 7473 B14R1.609 CCOC(=O)CNCCc1cccs1 34a_100000203755_100000188475 [0,0,0,0,0,2|0,1,0]=3 7474 B14R1.609 CCOC(=O)CNCCc1ccsc1 2230a_100000692642_100000188475 [0,0,0,0,0,2|2,0,0]=4 7475 B14R1.609 CCOC(=O)CNCCc1ccsc1 34a_100000692642_100000188475 [0,0,0,0,0,2|2,0,0]=4 7476 B14R1.609 CCOC(=O)CNCCc1cncs1 2230a_100016991637_100000188475 [0,0,0,0,0,2|1,1,0]=4 7477 B14R1.609 CCOC(=O)CNCCc1nccs1 2230a_100015186391_100000188475 [0,0,0,0,0,2|1,1,0]=4 7478 B14R1.609 CCOC(=O)CNCCn1cccc1 34a_100011368172_100000188475 [0,0,0,0,0,2|2,0,0]=4 7479 B14R1.609 CCOC(=O)CNCCn1cccn1 2230a_100011200920_100000188475 [0,0,0,0,0,2|2,0,0]=4 7480 B14R1.609 CCOC(=O)COCCc1cccs1 34a_100011216825_100000188475 [0,0,0,0,0,2|0,1,0]=3 7481 B14R1.609 CCOC(=O)COCCc1cccs1 7a_100011216825_100000188475 [0,0,0,0,0,2|0,1,0]=3 7482 B14R1.609 CCOC(=O)COCCc1ccsc1 34a_100000748821_100000188475 [0,0,0,0,0,2|2,0,0]=4 7483 B14R1.609 CCOC(=O)COCCc1ncc[nH]1 34a_103549771195_100000188475 [0,0,0,0,0,2|2,0,0]=4 7484 B14R1.609 CCOC(=O)COCCn1cccc1 34a_100000179382_100000188475 [0,0,0,0,0,2|2,0,0]=4 7485 B14R1.609 CCOC(=O)COCCn1cccn1 34a_100000743371_100000188475 [0,0,0,0,0,2|2,0,0]=4 7486 B14R1.609 CCOC(=O)CSCCc1c[nH]cn1 62a_100000188475_100020628418 [0,0,0,0,0,2|2,0,0]=4 7487 B14R1.609 CCOC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000188475 [0,0,0,0,0,2|2,0,0]=4 7488 B14R1.609 CCOC(=O)CSCCc1cccs1 62a_100000188475_100000748579 [0,0,0,0,0,2|0,1,0]=3 7489 B14R1.609 CCOC(=O)CSCCc1cccs1 62a_100000748579_100000188475 [0,0,0,0,0,2|0,1,0]=3 7490 B14R1.609 CCOC(=O)CSCCn1cccc1 62a_100000188475_200000035178 [0,0,0,0,0,2|2,0,0]=4 7491 B14R1.609 CCOC(=O)CSCCn1cccc1 62a_200009811947_100000188475 [0,0,0,0,0,2|2,0,0]=4 7492 B14R1.609 CCOC(=O)CSCCn1cccn1 62a_100000188475_100000685285 [0,0,0,0,0,2|2,0,0]=4 7493 B14R1.609 CCOC(=O)CSCCn1cccn1 62a_100015204718_100000188475 [0,0,0,0,0,2|2,0,0]=4 7494 B14R1.609 CCOC(=O)NCCOc1ccsc1 7a_100000106738_200011445536 [0,0,0,0,0,2|2,0,0]=4 7495 B14R1.609 CCOC(=O)NCCSc1c[nH]cn1 62a_100000756875_200011445536 [0,0,0,0,0,2|2,0,0]=4 7496 B14R1.609 CCOC(=O)NCCSc1cc[nH]n1 62a_100000062575_200011445536 [0,0,0,0,0,2|2,0,0]=4 7497 B14R1.609 CCOC(=O)NCCSc1ccco1 62a_100009814098_200011445536 [0,0,0,0,0,2|0,0,0]=2 7498 B14R1.609 CCOC(=O)NCCSc1cccs1 62a_100011215356_200011445536 [0,0,0,0,0,2|0,1,0]=3 7499 B14R1.609 CCOC(=O)NCCSc1ccoc1 62a_100011215275_200011445536 [0,0,0,0,0,2|2,0,0]=4 7500 B14R1.609 CCOC(=O)NCCSc1ccon1 62a_100009818083_200011445536 [0,0,0,0,0,2|2,0,0]=4 7501 B14R1.609 CCOC(=O)NCCSc1ccsc1 62a_100000738268_200011445536 [0,0,0,0,0,2|2,0,0]=4 7502 B14R1.609 CCOC(=O)NCCSc1ccsn1 62a_100009818082_200011445536 [0,0,0,0,0,2|2,0,0]=4 7503 B14R1.609 CCOC(=O)NCCSc1cnco1 62a_100020591547_200011445536 [0,0,0,0,0,2|1,0,0]=3 7504 B14R1.609 CCOC(=O)NCCSc1cncs1 62a_100011934649_200011445536 [0,0,0,0,0,2|1,1,0]=4 7505 B14R1.609 CCOC(=O)NCCSc1cscn1 62a_100000751502_200011445536 [0,0,0,0,0,2|2,0,0]=4 7506 B14R1.609 CCOC(=O)NCCSc1ncc[nH]1 62a_100025796157_200011445536 [0,0,0,0,0,2|2,0,0]=4 7507 B14R1.609 CCOC(=O)NCCSc1ncco1 62a_100011787736_200011445536 [0,0,0,0,0,2|1,0,0]=3 7508 B14R1.609 CCOC(=O)NCCSc1nccs1 62a_100000211983_200011445536 [0,0,0,0,0,2|1,1,0]=4 7509 B14R1.609 CCOC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000075025 [0,0,0,0,0,2|2,0,0]=4 7510 B14R1.609 CCOC(=O)OCSCc1ccn[nH]1 62a_100000728653_100000075025 [0,0,0,0,0,2|2,0,0]=4 7511 B14R1.609 CCOC(=O)OCSCc1ccon1 62a_100000234950_100000075025 [0,0,0,0,0,2|2,0,0]=4 7512 B14R1.609 CCOC(=O)OCSCc1ccsc1 62a_100011261437_100000075025 [0,0,0,0,0,2|2,0,0]=4 7513 B14R1.609 CCOC(=O)OCSCc1cncs1 62a_100015185245_100000075025 [0,0,0,0,0,2|1,1,0]=4 7514 B14R1.609 CCOC(=O)OCSCc1cscn1 62a_100000205941_100000075025 [0,0,0,0,0,2|2,0,0]=4 7515 B14R1.609 CCOC(=O)OCSCc1ncc[nH]1 62a_100016991755_100000075025 [0,0,0,0,0,2|2,0,0]=4 7516 B14R1.609 CCOC(=O)OCSCc1ncco1 62a_103436540062_100000075025 [0,0,0,0,0,2|1,0,0]=3 7517 B14R1.609 CCOC(=O)OCSCc1nccs1 62a_100015184050_100000075025 [0,0,0,0,0,2|1,1,0]=4 7518 B14R1.609 O=C(CNCCc1ccco1)NCO 2230a_100000694680_100000185155 [0,0,0,0,0,2|2,0,0]=4 7519 B14R1.609 O=C(CNCCc1ccco1)NCO 34a_100000694680_100000185155 [0,0,0,0,0,2|2,0,0]=4