0 B12R1.130 C=C(C)CCSc1sccc1C 62a_100000730704_100010247149 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.130 C=C(C)CCSc1sccc1C 62a_100010247149_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.130 C=C(C)CCSc1scnc1C 62a_100000730704_100009817116 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.130 C=C(C)CCSc1scnc1C 62a_100009817116_100000730704 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.130 C=C(C)CNCc1sccc1C 2230a_100000238519_100000748629 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.130 C=C(C)CNCc1sccc1C 34a_100000238519_100000748629 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.130 C=C(C)CNCc1scnc1C 2230a_100000752186_100000748629 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.130 C=C(C)CNCc1snnc1C 2230a_100000732738_100000748629 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.130 C=C(C)COCc1ocnc1C 34a_100000717716_100000748629 [0,0,0,0,0,0|3,1,0]=4 9 B12R1.130 C=C(C)COCc1ocnc1C 7a_100000717716_100000748629 [0,0,0,0,0,0|3,1,0]=4 10 B12R1.130 C=C(C)COCc1sccc1C 34a_100000238368_100000748629 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.130 C=C(C)COCc1sccc1C 7a_100000238368_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.130 C=C(C)COCc1scnc1Br 7a_100012000948_100000748629 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.130 C=C(C)COCc1scnc1C 34a_100000750112_100000748629 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.130 C=C(C)COCc1scnc1C 7a_100000750112_100000748629 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.130 C=C(C)COCc1snnc1C 34a_100000210245_100000732739 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.130 C=C(C)CSCc1snnc1C 62a_100000732739_100000211660 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.130 C=C(C)CSCc1snnc1C 62a_100000748629_100000732739 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.130 C=C(F)CNCc1scnc1C 2230a_100000752186_100009893438 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.130 C=C(F)COCc1scnc1C 34a_100000750112_100009893438 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.130 C=C(F)COCc1scnc1C 7a_100000750112_100000042424 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.130 CC(=CCSc1sccc1C)C 62a_100000761012_100010247149 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.130 CC(=CCSc1sccc1C)C 62a_100010247149_100000761012 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.130 CC(=CCSc1scnc1C)C 62a_100000761012_100009817116 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.130 CC(=CCSc1scnc1C)C 62a_100009817116_100000761012 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.130 CC(=O)CCCn1ccnc1C 1458a_100000070787_100000690325 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.130 CC(=O)CCCn1ccnc1C 1458a_100000748694_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.130 CC(=O)CCCn1nnnc1C 1458a_100000070787_100000118028 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.130 CC(=O)CCSc1[nH]cnc1Cl 62a_100000053229_100010200774 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.130 CC(=O)CCSc1[nH]cnc1Cl 62a_100010200774_100000053229 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.130 CC(=O)CCSc1c[nH]nc1C 62a_100000053229_100000692133 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.130 CC(=O)CCSc1c[nH]nc1C 62a_100000692133_100000053229 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.130 CC(=O)CCSc1ccnn1C 62a_100000053229_100000688441 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.130 CC(=O)CCSc1ccnn1C 62a_100000688441_100000053229 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.130 CC(=O)CCSc1ccsc1C 62a_100000053229_100000684487 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.130 CC(=O)CCSc1ccsc1C 62a_100000684487_100000053229 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100000053229_100010186451 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100010186451_100000053229 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.130 CC(=O)CCSc1ncnn1C 62a_100000053229_100000732653 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.130 CC(=O)CCSc1ncnn1C 62a_100000732653_100000053229 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000053229_100000732656 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000732656_100000053229 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100000053229_100012361411 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100012361411_100000053229 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.130 CC(=O)CCSc1sccc1C 62a_100000053229_100010247149 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.130 CC(=O)CCSc1sccc1C 62a_100010247149_100000053229 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.130 CC(=O)CCSc1scnc1C 62a_100000053229_100009817116 [0,0,0,0,0,0|2,0,0]=2 47 B12R1.130 CC(=O)CCSc1scnc1C 62a_100009817116_100000053229 [0,0,0,0,0,0|2,0,0]=2 48 B12R1.130 CC(=O)COCc1ccnn1C 34a_100000211253_100000691648 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.130 CC(=O)COCc1ncoc1C 34a_100000211253_200000693990 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.130 CC(=O)COCc1nonc1C 34a_100000211253_200000044682 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.130 CC(=O)COCc1snnc1C 34a_100000211253_100000732739 [0,0,0,0,0,0|3,0,0]=3 52 B12R1.130 CC(=O)NCCc1cccn1C 11a_100011251756_100015343762 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.130 CC(=O)NCCc1cccn1C 1626a_100011251756_100015343762 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.130 CC(=O)NCCc1cccn1C 240690a_100011251756_100015343762 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.130 CC(=O)NCCc1cccn1C 527a_100011251756_100103153847 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.130 CC(=O)NCCc1nccn1C 11a_100015187083_100015343762 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.130 CC(=O)NCCc1nccn1C 240690a_100015187083_100015343762 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.130 CC(=O)NCCc1nccn1C 527a_100015187083_100103153847 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.130 CC(=O)NCCc1ncnn1C 11a_100000686402_100015343762 [0,0,0,0,0,0|3,0,0]=3 60 B12R1.130 CC(=O)NCCc1ncnn1C 240690a_100000686402_100015343762 [0,0,0,0,0,0|3,0,0]=3 61 B12R1.130 CC(=O)NCCc1ncnn1C 527a_100000686402_100103153847 [0,0,0,0,0,0|3,0,0]=3 62 B12R1.130 CC(=O)NCCc1scnc1C 11a_100000238517_100015343762 [0,0,0,0,0,0|1,0,0]=1 63 B12R1.130 CC(=O)NCCc1scnc1C 1626a_100000238517_100015343762 [0,0,0,0,0,0|1,0,0]=1 64 B12R1.130 CC(=O)NCCc1scnc1C 240690a_100000238517_100015343762 [0,0,0,0,0,0|1,0,0]=1 65 B12R1.130 CC(=O)NCCc1scnc1C 527a_100000238517_100103153847 [0,0,0,0,0,0|1,0,0]=1 66 B12R1.130 CC(=O)NCCn1ccnc1C 11a_100015184736_100015343762 [0,0,0,0,0,0|3,0,0]=3 67 B12R1.130 CC(=O)NCCn1ccnc1C 1626a_100015184736_100015343762 [0,0,0,0,0,0|3,0,0]=3 68 B12R1.130 CC(=O)NCCn1ccnc1C 240690a_100015184736_100015343762 [0,0,0,0,0,0|3,0,0]=3 69 B12R1.130 CC(=O)NCCn1ccnc1C 527a_100015184736_100103153847 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.130 CC(=O)NN=Cc1sccc1C 4a_100000189765_100000210881 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.130 CC(=O)NN=Cc1scnc1C 4a_100000189765_100000764165 [0,0,0,0,0,0|2,0,1]=3 72 B12R1.130 CC(=O)NN=Cc1scnc1Cl 4a_100000189765_100000094495 [0,0,0,0,0,0|3,0,1]=4 73 B12R1.130 CC(=O)NN=Cc1snnc1C 4a_100000189765_100000732746 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.130 CC(=O)OCOc1ccnn1C 34a_100020632926_100009813279 [0,0,0,0,0,0|3,0,0]=3 75 B12R1.130 CC(=O)OCSc1[nH]cnc1Cl 62a_100000076356_100010200774 [0,0,0,0,0,0|3,0,0]=3 76 B12R1.130 CC(=O)OCSc1[nH]cnc1Cl 62a_100010200774_100000076356 [0,0,0,0,0,0|3,0,0]=3 77 B12R1.130 CC(=O)OCSc1c[nH]nc1Br 62a_100000076356_100011012988 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.130 CC(=O)OCSc1c[nH]nc1Br 62a_100011012988_100000076356 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.130 CC(=O)OCSc1c[nH]nc1C 62a_100000076356_100000692133 [0,0,0,0,0,0|3,0,0]=3 80 B12R1.130 CC(=O)OCSc1c[nH]nc1C 62a_100000692133_100000076356 [0,0,0,0,0,0|3,0,0]=3 81 B12R1.130 CC(=O)OCSc1c[nH]nc1F 62a_100000076356_100015597042 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.130 CC(=O)OCSc1c[nH]nc1F 62a_100015597042_100000076356 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.130 CC(=O)OCSc1c[nH]nc1N 62a_100000076356_100000717100 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.130 CC(=O)OCSc1c[nH]nc1N 62a_100000717100_100000076356 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.130 CC(=O)OCSc1ccnn1C 62a_100000076356_100000688441 [0,0,0,0,0,0|3,0,0]=3 86 B12R1.130 CC(=O)OCSc1ccnn1C 62a_100000688441_100000076356 [0,0,0,0,0,0|3,0,0]=3 87 B12R1.130 CC(=O)OCSc1ccsc1C 62a_100000076356_100000684487 [0,0,0,0,0,0|3,0,0]=3 88 B12R1.130 CC(=O)OCSc1ccsc1C 62a_100000684487_100000076356 [0,0,0,0,0,0|3,0,0]=3 89 B12R1.130 CC(=O)OCSc1cnoc1C 62a_100000076356_100009872056 [0,0,0,0,0,0|4,0,0]=4 90 B12R1.130 CC(=O)OCSc1cnoc1C 62a_100009872056_100000076356 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.130 CC(=O)OCSc1conc1N 62a_100000076356_100012597345 [0,0,0,0,0,0|4,0,0]=4 92 B12R1.130 CC(=O)OCSc1conc1N 62a_100012597345_100000076356 [0,0,0,0,0,0|4,0,0]=4 93 B12R1.130 CC(=O)OCSc1cscc1C 62a_100000076356_100000759966 [0,0,0,0,0,0|4,0,0]=4 94 B12R1.130 CC(=O)OCSc1cscc1C 62a_100000759966_100000076356 [0,0,0,0,0,0|4,0,0]=4 95 B12R1.130 CC(=O)OCSc1n[nH]cc1C 62a_100000076356_100009871783 [0,0,0,0,0,0|4,0,0]=4 96 B12R1.130 CC(=O)OCSc1n[nH]cc1C 62a_100009871783_100000076356 [0,0,0,0,0,0|4,0,0]=4 97 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100000076356_100010186451 [0,0,0,0,0,0|2,0,1]=3 98 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000076356 [0,0,0,0,0,0|2,0,1]=3 99 B12R1.130 CC(=O)OCSc1nccn1C 62a_100000076356_100000707724 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.130 CC(=O)OCSc1nccn1C 62a_100000707724_100000076356 [0,0,0,0,0,0|4,0,0]=4 101 B12R1.130 CC(=O)OCSc1ncnn1C 62a_100000076356_100000732653 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.130 CC(=O)OCSc1ncnn1C 62a_100000732653_100000076356 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000076356_100000732656 [0,0,0,0,0,0|3,0,0]=3 104 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000732656_100000076356 [0,0,0,0,0,0|3,0,0]=3 105 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100000076356_100012361411 [0,0,0,0,0,0|3,0,0]=3 106 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100012361411_100000076356 [0,0,0,0,0,0|3,0,0]=3 107 B12R1.130 CC(=O)OCSc1sccc1C 62a_100000076356_100010247149 [0,0,0,0,0,0|2,0,0]=2 108 B12R1.130 CC(=O)OCSc1sccc1C 62a_100010247149_100000076356 [0,0,0,0,0,0|2,0,0]=2 109 B12R1.130 CC(=O)OCSc1scnc1C 62a_100000076356_100009817116 [0,0,0,0,0,0|1,0,0]=1 110 B12R1.130 CC(=O)OCSc1scnc1C 62a_100009817116_100000076356 [0,0,0,0,0,0|1,0,0]=1 111 B12R1.130 Cc1ccsc1CNCC(=O)N 2230a_100000238519_100000747473 [0,0,0,0,0,0|4,0,0]=4 112 B12R1.130 Cc1ccsc1CNCC(=O)N 34a_100000238519_100000187820 [0,0,0,0,0,0|4,0,0]=4 113 B12R1.130 Cc1ccsc1CNCC(=O)[O-] 34a_100000238519_100020667443 [0,0,0,0,0,0|4,0,0]=4 114 B12R1.130 Cc1ccsc1COCC(=O)N 34a_100000238368_100000187820 [0,0,0,0,0,0|4,0,0]=4 115 B12R1.130 Cc1ccsc1COCC(=O)N 7a_100000238368_100000187820 [0,0,0,0,0,0|4,0,0]=4 116 B12R1.130 Cc1ccsc1COCC(=O)[O-] 34a_100000238368_100020667443 [0,0,0,0,0,0|4,0,0]=4 117 B12R1.130 Cc1ccsc1SCCC(=O)N 62a_100000744528_100010247149 [0,0,0,0,0,0|4,0,0]=4 118 B12R1.130 Cc1ccsc1SCCC(=O)N 62a_100010247149_100000744528 [0,0,0,0,0,0|4,0,0]=4 119 B12R1.130 Cc1ccsc1SCOC(C)C 62a_100000709892_100010247149 [0,0,0,0,0,0|3,0,1]=4 120 B12R1.130 Cc1ccsc1SCOC(C)C 62a_100010247149_100000709892 [0,0,0,0,0,0|3,0,1]=4 121 B12R1.130 Cc1nccn1CCCC(=O)[13CH3] 1458a_100000748694_200025704644 [0,0,0,0,0,0|3,0,0]=3 122 B12R1.130 Cc1nccn1CCOC(C)C 34a_100000702865_100000210206 [0,0,0,0,0,0|3,0,1]=4 123 B12R1.130 Cc1nccn1CCOC(C)C 7a_100000702865_100000210206 [0,0,0,0,0,0|3,0,1]=4 124 B12R1.130 Cc1ncoc1COCC(=O)N 34a_100000717716_100000187820 [0,0,0,0,0,0|3,1,0]=4 125 B12R1.130 Cc1ncoc1COCC(=O)N 7a_100000717716_100000187820 [0,0,0,0,0,0|3,1,0]=4 126 B12R1.130 Cc1ncoc1COCC(=O)[O-] 34a_100000717716_100020667443 [0,0,0,0,0,0|3,1,0]=4 127 B12R1.130 Cc1ncsc1CCNC(C)C 2230a_100000238517_100000210206 [0,0,0,0,0,0|2,0,1]=3 128 B12R1.130 Cc1ncsc1CCNC(C)C 2230a_100138425928_100000057103 [0,0,0,0,0,0|2,0,1]=3 129 B12R1.130 Cc1ncsc1CCNC(C)C 34a_100000238517_100000210206 [0,0,0,0,0,0|2,0,1]=3 130 B12R1.130 Cc1ncsc1CCNC(C)C 34a_100138425928_100000057103 [0,0,0,0,0,0|2,0,1]=3 131 B12R1.130 Cc1ncsc1CCOC(C)C 34a_100000211055_100000210206 [0,0,0,0,0,0|1,0,1]=2 132 B12R1.130 Cc1ncsc1CCOC(C)C 34a_100000212225_100000057103 [0,0,0,0,0,0|1,0,1]=2 133 B12R1.130 Cc1ncsc1CCOC(C)C 7a_100000211055_100000210206 [0,0,0,0,0,0|1,0,1]=2 134 B12R1.130 Cc1ncsc1CCSC(C)C 62a_100000057103_100000210206 [0,0,0,0,0,0|1,1,1]=3 135 B12R1.130 Cc1ncsc1CCSC(C)C 62a_100000210206_100000057103 [0,0,0,0,0,0|1,1,1]=3 136 B12R1.130 Cc1ncsc1CNCC(=O)N 2230a_100000752186_100000747473 [0,0,0,0,0,0|3,0,0]=3 137 B12R1.130 Cc1ncsc1CNCC(C)C 207a_100000210953_100000764165 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.130 Cc1ncsc1CNCC(C)C 2230a_100000752186_100000210760 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.130 Cc1ncsc1CNCC(C)C 270004a_100000752186_100000210432 [0,0,0,0,0,0|3,0,1]=4 140 B12R1.130 Cc1ncsc1CNCC(C)O 207a_100000210904_100000764165 [0,0,0,0,0,0|2,0,2]=4 141 B12R1.130 Cc1ncsc1CNCC(C)O 2230a_100000752186_100011218427 [0,0,0,0,0,0|2,0,2]=4 142 B12R1.130 Cc1ncsc1CNC[C@@H](C)O 2230a_100000752186_100009817552 [0,0,0,0,0,0|2,0,2]=4 143 B12R1.130 Cc1ncsc1COCC(=O)N 34a_100000750112_100000187820 [0,0,0,0,0,0|3,0,0]=3 144 B12R1.130 Cc1ncsc1COCC(=O)N 7a_100000750112_100000187820 [0,0,0,0,0,0|3,0,0]=3 145 B12R1.130 Cc1ncsc1COCC(=O)[O-] 34a_100000750112_100020667443 [0,0,0,0,0,0|3,0,0]=3 146 B12R1.130 Cc1ncsc1COCC(C)C 34a_100000750112_100000210624 [0,0,0,0,0,0|3,0,1]=4 147 B12R1.130 Cc1ncsc1COCC(C)C 7a_100000750112_100000210760 [0,0,0,0,0,0|3,0,1]=4 148 B12R1.130 Cc1ncsc1COCC(C)O 34a_100000750112_100011218427 [0,0,0,0,0,0|2,0,2]=4 149 B12R1.130 Cc1ncsc1COCC(C)O 7a_100000750112_100011218427 [0,0,0,0,0,0|2,0,2]=4 150 B12R1.130 Cc1ncsc1COC[C@@H](C)O 34a_100000750112_100009817552 [0,0,0,0,0,0|2,0,2]=4 151 B12R1.130 Cc1ncsc1COC[C@@H](C)O 7a_100000750112_100009817552 [0,0,0,0,0,0|2,0,2]=4 152 B12R1.130 Cc1ncsc1COC[N+](=O)[O-] 34a_100000750112_100000761209 [0,0,0,0,0,0|4,0,0]=4 153 B12R1.130 Cc1ncsc1SCCC(=O)N 62a_100000744528_100009817116 [0,0,0,0,0,0|3,0,0]=3 154 B12R1.130 Cc1ncsc1SCCC(=O)N 62a_100009817116_100000744528 [0,0,0,0,0,0|3,0,0]=3 155 B12R1.130 Cc1ncsc1SCCC(C)C 62a_100000210312_100009817116 [0,0,0,0,0,0|3,0,1]=4 156 B12R1.130 Cc1ncsc1SCCC(C)C 62a_100009817116_100000210312 [0,0,0,0,0,0|3,0,1]=4 157 B12R1.130 Cc1ncsc1SCCC(C)O 62a_100009817116_100012276601 [0,0,0,0,0,0|2,0,2]=4 158 B12R1.130 Cc1ncsc1SCCC(C)O 62a_100012276601_100009817116 [0,0,0,0,0,0|2,0,2]=4 159 B12R1.130 Cc1ncsc1SCCN(C)C 62a_100009817116_100000755713 [0,0,0,0,0,0|4,0,0]=4 160 B12R1.130 Cc1ncsc1SCOC(C)C 62a_100000709892_100009817116 [0,0,0,0,0,0|2,0,1]=3 161 B12R1.130 Cc1ncsc1SCOC(C)C 62a_100009817116_100000709892 [0,0,0,0,0,0|2,0,1]=3 162 B12R1.130 Cc1nnsc1CNCC(=O)N 2230a_100000711301_100000732739 [0,0,0,0,0,0|4,0,0]=4 163 B12R1.130 Cc1nnsc1CNCC(=O)N 2230a_100000732738_100000747473 [0,0,0,0,0,0|4,0,0]=4 164 B12R1.130 Cc1nnsc1CNCC(=O)O 269956a_100016091260_100000732739 [0,0,0,0,0,0|4,0,0]=4 165 B12R1.130 Cc1nnsc1CSCC(=O)N 62a_100000732739_100000747473 [0,0,0,0,0,0|4,0,0]=4 166 B12R1.130 Cc1nnsc1CSCC(=O)N 62a_100000747473_100000732739 [0,0,0,0,0,0|4,0,0]=4 167 B12R1.130 Cc1nnsc1CSCC(=O)[O-] 62a_100000732739_100020667443 [0,0,0,0,0,0|4,0,0]=4 168 B12R1.130 Cc1nnsc1CSCC(=O)[O-] 62a_100020667443_100000732739 [0,0,0,0,0,0|4,0,0]=4 169 B12R1.130 NC(=O)COCc1scnc1Br 7a_100012000948_100000187820 [0,0,0,0,0,0|4,0,0]=4 170 B11R1.172 C=C(C)CCSc1cncs1 62a_100000730704_100011934649 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.172 C=C(C)CCSc1cncs1 62a_100011934649_100000730704 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.172 C=C(C)CNCc1cncs1 2230a_100016987365_100000748629 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.172 C=C(C)COCc1cncs1 34a_100000210245_100015185245 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.172 C=C(C)CSCc1cncs1 62a_100000748629_100015185245 [1,0,0,0,0,0|3,0,0]=4 175 B11R1.172 C=C(C)CSCc1cncs1 62a_100015185245_100000211660 [1,0,0,0,0,0|3,0,0]=4 176 B11R1.172 CC(=CCSc1cncs1)C 62a_100000761012_100011934649 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.172 CC(=CCSc1cncs1)C 62a_100011934649_100000761012 [1,0,0,0,0,0|3,0,0]=4 178 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [1,0,0,0,0,0|2,0,0]=3 179 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [1,0,0,0,0,0|2,0,0]=3 180 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000070787_100000756272 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000748695_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B11R1.172 CC(=O)CCCn1cncn1 1458a_100000070787_100102700105 [1,0,0,0,0,0|3,0,0]=4 183 B11R1.172 CC(=O)CCCn1cncn1 1458a_100015186313_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [1,0,0,0,0,0|3,0,0]=4 185 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [1,0,0,0,0,0|2,1,0]=4 187 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [1,0,0,0,0,0|2,1,0]=4 188 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [1,0,0,0,0,0|2,0,0]=3 189 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [1,0,0,0,0,0|2,0,0]=3 190 B11R1.172 CC(=O)CCSc1nncs1 62a_100000053229_100000739804 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.172 CC(=O)CCSc1nncs1 62a_100000739804_100000053229 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [1,0,0,0,0,0|2,0,0]=3 193 B11R1.172 CC(=O)NCCc1c[nH]cn1 11a_100000755092_100015343762 [1,0,0,0,0,0|2,0,1]=4 194 B11R1.172 CC(=O)NCCc1c[nH]cn1 527a_100000755092_100103153847 [1,0,0,0,0,0|2,0,1]=4 195 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [1,0,0,0,0,0|2,1,0]=4 196 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [1,0,0,0,0,0|2,1,0]=4 197 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [1,0,0,0,0,0|2,1,0]=4 198 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [1,0,0,0,0,0|2,1,0]=4 199 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [1,0,0,0,0,0|2,0,0]=3 201 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [1,0,0,0,0,0|2,0,0]=3 202 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [1,0,0,0,0,0|2,0,0]=3 203 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [1,0,0,0,0,0|3,0,0]=4 204 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.172 CC(=O)NCCc1cn[nH]c1 240690a_100000732747_100015343762 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.172 CC(=O)NCCc1cn[nH]c1 527a_100000732747_100103153847 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [1,0,0,0,0,0|1,0,0]=2 210 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [1,0,0,0,0,0|1,0,0]=2 211 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [1,0,0,0,0,0|1,0,0]=2 212 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [1,0,0,0,0,0|1,0,0]=2 213 B11R1.172 CC(=O)NCCc1nccs1 11a_100015186391_100015343762 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.172 CC(=O)NCCc1nccs1 1626a_100015186391_100015343762 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.172 CC(=O)NCCc1nccs1 240690a_100015186391_100015343762 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.172 CC(=O)NCCc1nccs1 527a_100015186391_100103153847 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.172 CC(=O)NCCn1ccnc1 11a_100000230061_100015343762 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.172 CC(=O)NCCn1ccnc1 240690a_100000230061_100015343762 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.172 CC(=O)NCCn1ccnc1 527a_100000230061_100103153847 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.172 CC(=O)NCCn1cncn1 11a_200000738561_100015343762 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.172 CC(=O)NCCn1cncn1 240690a_200000738561_100015343762 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.172 CC(=O)NN=Cc1cncs1 4a_100000189765_100000749870 [1,0,0,0,0,0|2,0,1]=4 223 B11R1.172 CC(=O)OCOc1ccsc1 34a_100000106738_100009813279 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000076356_100000756875 [1,0,0,0,0,0|2,0,1]=4 225 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000756875_100000076356 [1,0,0,0,0,0|2,0,1]=4 226 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [1,0,0,0,0,0|2,1,0]=4 227 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [1,0,0,0,0,0|2,1,0]=4 228 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [1,0,0,0,0,0|2,0,0]=3 229 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [1,0,0,0,0,0|2,0,0]=3 230 B11R1.172 CC(=O)OCSc1ccoc1 62a_100000076356_100011215275 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.172 CC(=O)OCSc1ccoc1 62a_100011215275_100000076356 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000076356_100000738268 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000738268_100000076356 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.172 CC(=O)OCSc1cn[nH]c1 62a_100000076356_100000238712 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.172 CC(=O)OCSc1cn[nH]c1 62a_100000238712_100000076356 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [1,0,0,0,0,0|1,1,0]=3 237 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [1,0,0,0,0,0|1,1,0]=3 238 B11R1.172 CC(=O)OCSc1cncs1 62a_100000076356_100011934649 [1,0,0,0,0,0|1,0,0]=2 239 B11R1.172 CC(=O)OCSc1cncs1 62a_100011934649_100000076356 [1,0,0,0,0,0|1,0,0]=2 240 B11R1.172 CC(=O)OCSc1cnoc1 62a_100000076356_100009815712 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.172 CC(=O)OCSc1cnoc1 62a_100009815712_100000076356 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.172 CC(=O)OCSc1cnsc1 62a_100000076356_100009815736 [1,0,0,0,0,0|3,0,0]=4 243 B11R1.172 CC(=O)OCSc1cnsc1 62a_100009815736_100000076356 [1,0,0,0,0,0|3,0,0]=4 244 B11R1.172 CC(=O)OCSc1cscn1 62a_100000076356_100000751502 [1,0,0,0,0,0|3,0,0]=4 245 B11R1.172 CC(=O)OCSc1cscn1 62a_100000751502_100000076356 [1,0,0,0,0,0|3,0,0]=4 246 B11R1.172 CC(=O)OCSc1nccs1 62a_100000076356_100000211983 [1,0,0,0,0,0|3,0,0]=4 247 B11R1.172 CC(=O)OCSc1nccs1 62a_100000211983_100000076356 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.172 CC(=O)OCSc1ncns1 62a_100000076356_100000693119 [1,0,0,0,0,0|3,0,0]=4 249 B11R1.172 CC(=O)OCSc1ncns1 62a_100000693119_100000076356 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.172 CC(=O)OCSc1nncs1 62a_100000076356_100000739804 [1,0,0,0,0,0|2,0,0]=3 251 B11R1.172 CC(=O)OCSc1nncs1 62a_100000739804_100000076356 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.172 CC(C)NCCc1cncs1 2230a_100016991637_100000210206 [1,0,0,0,0,0|2,0,1]=4 253 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [1,0,0,0,0,0|2,0,1]=4 254 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [1,0,0,0,0,0|2,0,1]=4 255 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [1,0,0,0,0,0|2,0,1]=4 256 B11R1.172 CC(C)OCSc1cncs1 62a_100000709892_100011934649 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.172 CC(C)OCSc1cncs1 62a_100011934649_100000709892 [1,0,0,0,0,0|2,0,1]=4 258 B11R1.172 NC(=O)CCSc1cncs1 62a_100000744528_100011934649 [1,0,0,0,0,0|3,0,0]=4 259 B11R1.172 NC(=O)CCSc1cncs1 62a_100011934649_100000744528 [1,0,0,0,0,0|3,0,0]=4 260 B11R1.172 NC(=O)CNCc1cncs1 2230a_100000711301_100015185245 [1,0,0,0,0,0|3,0,0]=4 261 B11R1.172 NC(=O)CNCc1cncs1 2230a_100016987365_100000747473 [1,0,0,0,0,0|3,0,0]=4 262 B11R1.172 NC(=O)CSCc1cncs1 62a_100000747473_100015185245 [1,0,0,0,0,0|3,0,0]=4 263 B11R1.172 NC(=O)CSCc1cncs1 62a_100015185245_100000747473 [1,0,0,0,0,0|3,0,0]=4 264 B11R1.172 O=C(O)CNCc1cncs1 269956a_100016091260_100015185245 [1,0,0,0,0,0|3,0,0]=4 265 B11R1.172 O=C([O-])CSCc1cncs1 62a_100015185245_100020667443 [1,0,0,0,0,0|3,0,0]=4 266 B11R1.172 O=C([O-])CSCc1cncs1 62a_100020667443_100015185245 [1,0,0,0,0,0|3,0,0]=4 267 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [1,0,0,0,0,0|2,0,0]=3 268 B11R1.172 [13CH3]C(=O)CCCn1ccnc1 1458a_100000748695_200025704644 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.172 [13CH3]C(=O)CCCn1cncn1 1458a_100015186313_200025704644 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.180 C/C=C/CSc1sccc1C 62a_100010247149_100102629194 [1,0,0,0,0,0|3,0,0]=4 271 B11R1.180 C/C=C/CSc1sccc1C 62a_100102629194_100010247149 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.180 C/C=C/CSc1scnc1C 62a_100009817116_100102629194 [1,0,0,0,0,0|2,0,0]=3 273 B11R1.180 C/C=C/CSc1scnc1C 62a_100102629194_100009817116 [1,0,0,0,0,0|2,0,0]=3 274 B11R1.180 C=CCCSc1scnc1C 62a_100000754431_100009817116 [1,0,0,0,0,0|2,0,1]=4 275 B11R1.180 C=CCCSc1scnc1C 62a_100009817116_100000754431 [1,0,0,0,0,0|2,0,1]=4 276 B11R1.180 C=CCNCc1scnc1C 2230a_100000752186_100000210623 [1,0,0,0,0,0|2,0,1]=4 277 B11R1.180 C=CCOCc1scnc1C 34a_100000750112_100015514636 [1,0,0,0,0,0|2,0,1]=4 278 B11R1.180 C=CCOCc1scnc1C 7a_100000750112_100015514636 [1,0,0,0,0,0|2,0,1]=4 279 B11R1.180 CC#CCSc1scnc1C 62a_100000748600_100009817116 [1,0,0,0,0,0|2,0,1]=4 280 B11R1.180 CC#CCSc1scnc1C 62a_100009817116_100000748600 [1,0,0,0,0,0|2,0,1]=4 281 B11R1.180 CC=CCSc1sccc1C 62a_100000070051_100010247149 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.180 CC=CCSc1sccc1C 62a_100010247149_100000070051 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.180 CC=CCSc1scnc1C 62a_100000070051_100009817116 [1,0,0,0,0,0|2,0,0]=3 284 B11R1.180 CC=CCSc1scnc1C 62a_100009817116_100000070051 [1,0,0,0,0,0|2,0,0]=3 285 B11R1.180 CCCCSc1scnc1C 62a_100000210211_100009817116 [1,0,0,0,0,0|2,0,1]=4 286 B11R1.180 CCCCSc1scnc1C 62a_100009817116_100000210210 [1,0,0,0,0,0|2,0,1]=4 287 B11R1.180 CCCNCc1scnc1C 207a_100020643023_100000764165 [1,0,0,0,0,0|2,0,1]=4 288 B11R1.180 CCCNCc1scnc1C 2230a_100000752186_100000210303 [1,0,0,0,0,0|2,0,1]=4 289 B11R1.180 CCCOCc1scnc1C 34a_100000750112_100000210303 [1,0,0,0,0,0|2,0,1]=4 290 B11R1.180 CCCOCc1scnc1C 7a_100000750112_100000210303 [1,0,0,0,0,0|2,0,1]=4 291 B11R1.180 CCNCCc1scnc1C 2230a_100000238517_100000210202 [1,0,0,0,0,0|1,0,1]=3 292 B11R1.180 CCNCCc1scnc1C 2230a_100015525214_100000057103 [1,0,0,0,0,0|1,0,1]=3 293 B11R1.180 CCNCCc1scnc1C 34a_100000238517_100000210202 [1,0,0,0,0,0|1,0,1]=3 294 B11R1.180 CCOC=Cc1scnc1C 271570a_100016256518_100009817116 [1,0,0,0,0,0|0,0,3]=4 295 B11R1.180 CCOCCc1scnc1C 34a_100000211055_100000210202 [1,0,0,0,0,0|0,0,1]=2 296 B11R1.180 CCOCCc1scnc1C 34a_100121572206_100000057103 [1,0,0,0,0,0|0,0,1]=2 297 B11R1.180 CCOCCc1scnc1C 7a_100000211055_100000210202 [1,0,0,0,0,0|0,0,1]=2 298 B11R1.180 CCOCCn1ccnc1C 34a_100000702865_100000210202 [1,0,0,0,0,0|2,0,1]=4 299 B11R1.180 CCOCCn1ccnc1C 7a_100000702865_100000210202 [1,0,0,0,0,0|2,0,1]=4 300 B11R1.180 CCOCSc1sccc1C 62a_100000739092_100010247149 [1,0,0,0,0,0|2,0,1]=4 301 B11R1.180 CCOCSc1sccc1C 62a_100010247149_100000739092 [1,0,0,0,0,0|2,0,1]=4 302 B11R1.180 CCOCSc1scnc1C 62a_100000739092_100009817116 [1,0,0,0,0,0|1,0,1]=3 303 B11R1.180 CCOCSc1scnc1C 62a_100009817116_100000739092 [1,0,0,0,0,0|1,0,1]=3 304 B11R1.180 CCSCCc1scnc1C 62a_100000057103_100000210202 [1,0,0,0,0,0|0,1,1]=3 305 B11R1.180 CCSCCc1scnc1C 62a_100000210202_100000057103 [1,0,0,0,0,0|0,1,1]=3 306 B11R1.180 COCCSc1scnc1C 62a_100000233755_100009817116 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.180 COCCSc1scnc1C 62a_100009817116_100000233755 [1,0,0,0,0,0|3,0,0]=4 308 B11R1.180 COCNCc1scnc1C 2230a_100000752186_100000766300 [1,0,0,0,0,0|3,0,0]=4 309 B11R1.180 CSCCSc1scnc1C 62a_100000212216_100009817116 [1,0,0,0,0,0|3,0,0]=4 310 B11R1.180 CSCCSc1scnc1C 62a_100009817116_100000751147 [1,0,0,0,0,0|3,0,0]=4 311 B11R1.180 CSCNCc1scnc1C 2230a_100000752186_100011218213 [1,0,0,0,0,0|3,0,0]=4 312 B11R1.180 CSCOCc1scnc1C 34a_100000750112_100011218213 [1,0,0,0,0,0|3,0,0]=4 313 B11R1.180 Cc1ccsc1CNCC=O 2230a_100000238519_200015260668 [1,0,0,0,0,0|3,0,0]=4 314 B11R1.180 Cc1ccsc1CNCC=O 34a_100000238519_200009817547 [1,0,0,0,0,0|3,0,0]=4 315 B11R1.180 Cc1ccsc1COCC=O 34a_100000238368_200009817547 [1,0,0,0,0,0|3,0,0]=4 316 B11R1.180 Cc1ccsc1COCC=O 7a_100000238368_200015260668 [1,0,0,0,0,0|3,0,0]=4 317 B11R1.180 Cc1ncoc1COCC=O 34a_100000717716_200009817547 [1,0,0,0,0,0|2,1,0]=4 318 B11R1.180 Cc1ncoc1COCC=O 7a_100000717716_200015260668 [1,0,0,0,0,0|2,1,0]=4 319 B11R1.180 Cc1ncsc1CCNCF 34a_100000238517_100015361967 [1,0,0,0,0,0|2,0,1]=4 320 B11R1.180 Cc1ncsc1CCOCF 34a_100000211055_100015361967 [1,0,0,0,0,0|1,0,1]=3 321 B11R1.180 Cc1ncsc1CCOCF 7a_100000211055_100015361967 [1,0,0,0,0,0|1,0,1]=3 322 B11R1.180 Cc1ncsc1CCSCF 62a_100000057103_100015361967 [1,0,0,0,0,0|1,1,1]=4 323 B11R1.180 Cc1ncsc1CCSCF 62a_100015361967_100000057103 [1,0,0,0,0,0|1,1,1]=4 324 B11R1.180 Cc1ncsc1CNCC=O 2230a_100000752186_200015260668 [1,0,0,0,0,0|2,0,0]=3 325 B11R1.180 Cc1ncsc1COCC=O 34a_100000750112_200009817547 [1,0,0,0,0,0|2,0,0]=3 326 B11R1.180 Cc1ncsc1COCC=O 7a_100000750112_200015260668 [1,0,0,0,0,0|2,0,0]=3 327 B11R1.180 Cc1nnsc1CNCC=O 2230a_100000732738_200015260668 [1,0,0,0,0,0|3,0,0]=4 328 B11R1.180 Cc1nnsc1CSCC=O 62a_100000732739_200015260668 [1,0,0,0,0,0|3,0,0]=4 329 B11R1.180 Cc1nnsc1CSCC=O 62a_200015260668_100000732739 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.180 O=CCOCc1scnc1Br 7a_100012000948_200015260668 [1,0,0,0,0,0|3,0,0]=4 331 B13R1.103 CC(=O)CCSc1sccc1CN 62a_100000053229_100000727803 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.103 CC(=O)CCSc1sccc1CN 62a_100000727803_100000053229 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.103 CC(=O)CCSc1sccc1CO 62a_100000053229_100009816922 [0,1,0,0,0,0|3,0,0]=4 334 B13R1.103 CC(=O)CCSc1sccc1CO 62a_100009816922_100000053229 [0,1,0,0,0,0|3,0,0]=4 335 B13R1.103 CC(=O)OCSc1[nH]cnc1C=O 62a_100000076356_100015192532 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.103 CC(=O)OCSc1[nH]cnc1C=O 62a_100015192532_100000076356 [0,1,0,0,0,0|2,0,1]=4 337 B13R1.103 CC(=O)OCSc1ccsc1CO 62a_100000076356_100000702026 [0,1,0,0,0,0|3,0,0]=4 338 B13R1.103 CC(=O)OCSc1ccsc1CO 62a_100000702026_100000076356 [0,1,0,0,0,0|3,0,0]=4 339 B13R1.103 CC(=O)OCSc1ncsc1CO 62a_100000076356_100012000948 [0,1,0,0,0,0|3,0,0]=4 340 B13R1.103 CC(=O)OCSc1ncsc1CO 62a_100012000948_100000076356 [0,1,0,0,0,0|3,0,0]=4 341 B13R1.103 CC(=O)OCSc1sccc1C#N 62a_100000076356_100009817073 [0,1,0,0,0,0|2,0,1]=4 342 B13R1.103 CC(=O)OCSc1sccc1C=O 62a_100000076356_100009816921 [0,1,0,0,0,0|2,0,1]=4 343 B13R1.103 CC(=O)OCSc1sccc1C=O 62a_100009816921_100000076356 [0,1,0,0,0,0|2,0,1]=4 344 B13R1.103 CC(=O)OCSc1sccc1CN 62a_100000076356_100000727803 [0,1,0,0,0,0|2,0,0]=3 345 B13R1.103 CC(=O)OCSc1sccc1CN 62a_100000727803_100000076356 [0,1,0,0,0,0|2,0,0]=3 346 B13R1.103 CC(=O)OCSc1sccc1CO 62a_100000076356_100009816922 [0,1,0,0,0,0|2,0,0]=3 347 B13R1.103 CC(=O)OCSc1sccc1CO 62a_100009816922_100000076356 [0,1,0,0,0,0|2,0,0]=3 348 B13R1.103 CCc1ccsc1SCCC(=O)C 62a_100000053229_200009875468 [0,1,0,0,0,0|3,0,0]=4 349 B13R1.103 CCc1ccsc1SCCC(=O)C 62a_200009875468_100000053229 [0,1,0,0,0,0|3,0,0]=4 350 B13R1.103 CCc1ccsc1SCOC(=O)C 62a_100000076356_200009875468 [0,1,0,0,0,0|2,0,0]=3 351 B13R1.103 CCc1ccsc1SCOC(=O)C 62a_200009875468_100000076356 [0,1,0,0,0,0|2,0,0]=3 352 B13R1.103 CCc1nccn1CCNC(=O)C 11a_100020604629_100015343762 [0,1,0,0,0,0|3,0,0]=4 353 B13R1.103 CCc1nccn1CCNC(=O)C 1626a_100020604629_100015343762 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.103 CCc1nccn1CCNC(=O)C 240690a_100020604629_100015343762 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.103 CCc1nccn1CCNC(=O)C 527a_100020604629_100103153847 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.103 CCn1nccc1OCOC(=O)C 34a_100012181048_100009813279 [0,1,0,0,0,0|3,0,0]=4 357 B13R1.103 CCn1nccc1SCOC(=O)C 62a_100000076356_100000728327 [0,1,0,0,0,0|3,0,0]=4 358 B13R1.103 CCn1nccc1SCOC(=O)C 62a_100000728327_100000076356 [0,1,0,0,0,0|3,0,0]=4 359 B13R1.103 CCn1ncnc1SCOC(=O)C 62a_100000076356_100009879425 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.103 CCn1ncnc1SCOC(=O)C 62a_100009879425_100000076356 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.103 COc1n[nH]cc1SCOC(=O)C 62a_100000076356_100010982843 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.103 CSc1sccc1SCOC(=O)C 62a_100000076356_200010341309 [0,1,0,0,0,0|3,0,0]=4 363 B13R1.103 CSc1sccc1SCOC(=O)C 62a_200010341309_100000076356 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.168 CC(=O)NN=C(C)c1scnc1C 4a_100000189765_100000738886 [0,1,0,0,0,0|2,0,1]=4 365 B13R1.169 C=C(C)C(=O)CCc1scnc1C 1458a_100000185857_100000057103 [0,1,0,0,0,0|2,0,0]=3 366 B13R1.169 C=C(C)C(=O)NCc1scnc1C 11a_100000752186_100000185857 [0,1,0,0,0,0|3,0,0]=4 367 B13R1.169 C=C(C)C(=O)NCc1scnc1C 1626a_100000752186_100000185857 [0,1,0,0,0,0|3,0,0]=4 368 B13R1.169 C=C(C)C(C)NCc1scnc1C 269862a_100000752186_100011216138 [0,1,0,0,0,0|3,0,0]=4 369 B13R1.169 CC(=O)C(=O)CSc1sccc1C 62a_100010247149_100011261029 [0,1,0,0,0,0|3,0,0]=4 370 B13R1.169 CC(=O)C(=O)CSc1sccc1C 62a_100011261029_100010247149 [0,1,0,0,0,0|3,0,0]=4 371 B13R1.169 CC(=O)C(=O)CSc1scnc1C 62a_100009817116_100011261029 [0,1,0,0,0,0|2,0,0]=3 372 B13R1.169 CC(=O)C(=O)CSc1scnc1C 62a_100011261029_100009817116 [0,1,0,0,0,0|2,0,0]=3 373 B13R1.169 CC(=O)C(C)NCc1sccc1C 2230a_100000238519_100009814033 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.169 CC(=O)C(C)NCc1scnc1C 2230a_100000752186_100009814033 [0,1,0,0,0,0|2,0,0]=3 375 B13R1.169 CC(=O)C(C)NCc1snnc1C 2230a_100000732738_100009814033 [0,1,0,0,0,0|3,0,0]=4 376 B13R1.169 CC(=O)C(C)OCc1ocnc1C 7a_100000717716_100000179758 [0,1,0,0,0,0|2,1,0]=4 377 B13R1.169 CC(=O)C(C)OCc1sccc1C 7a_100000238368_100000179758 [0,1,0,0,0,0|3,0,0]=4 378 B13R1.169 CC(=O)C(C)OCc1scnc1Br 7a_100012000948_100000179758 [0,1,0,0,0,0|3,0,0]=4 379 B13R1.169 CC(=O)C(C)OCc1scnc1C 7a_100000750112_100000179758 [0,1,0,0,0,0|2,0,0]=3 380 B13R1.169 CC(=O)C(C)OCc1snnc1C 34a_100000212229_100000732739 [0,1,0,0,0,0|3,0,0]=4 381 B13R1.169 CC(=O)C(C)SCc1snnc1C 62a_100000732739_100009814033 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.169 CC(=O)C(C)SCc1snnc1C 62a_100009814033_100000732739 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.169 CC(=O)N(C)CCc1scnc1C 11a_100025748334_100015343762 [0,1,0,0,0,0|1,0,0]=2 384 B13R1.169 CC(=O)N(C)CCc1scnc1C 1626a_100025748334_100015343762 [0,1,0,0,0,0|1,0,0]=2 385 B13R1.169 CC(=O)N(C)CCc1scnc1C 240690a_100025748334_100015343762 [0,1,0,0,0,0|1,0,0]=2 386 B13R1.169 CC(=O)N(C)CCc1scnc1C 527a_100025748334_100103153847 [0,1,0,0,0,0|1,0,0]=2 387 B13R1.169 CC(=O)N(C)CCn1ccnc1C 11a_103624766747_100015343762 [0,1,0,0,0,0|3,0,0]=4 388 B13R1.169 CC(=O)N(C)CCn1ccnc1C 1626a_103624766747_100015343762 [0,1,0,0,0,0|3,0,0]=4 389 B13R1.169 CC(=O)N(C)CCn1ccnc1C 240690a_103624766747_100015343762 [0,1,0,0,0,0|3,0,0]=4 390 B13R1.169 CC(=O)N(C)CCn1ccnc1C 527a_103624766747_100103153847 [0,1,0,0,0,0|3,0,0]=4 391 B13R1.169 Cc1ncsc1CCC(=O)C(C)C 1458a_100000210198_100000057103 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.169 Cc1ncsc1CCC(=O)C(C)C 1458a_100011934404_100000210206 [0,1,0,0,0,0|2,0,1]=4 393 B13R1.169 Cc1ncsc1CCC(=O)C(C)F 1458a_100000062450_100000057103 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.169 Cc1ncsc1CCC(=O)N(C)C 11a_100102631434_100011934404 [0,1,0,0,0,0|3,0,0]=4 395 B13R1.169 Cc1ncsc1CCC(=O)N(C)C 1626a_100102631434_100011934404 [0,1,0,0,0,0|3,0,0]=4 396 B13R1.169 Cc1ncsc1CCC(=O)N(C)C 240690a_100102631434_100011934404 [0,1,0,0,0,0|3,0,0]=4 397 B13R1.169 Cc1ncsc1CCC(=O)N(C)C 271570a_200010232142_100009817116 [0,1,0,0,0,0|3,0,0]=4 398 B13R1.169 Cc1ncsc1CCC(=O)N(C)C 527a_100102631434_100011934404 [0,1,0,0,0,0|3,0,0]=4 399 B13R1.169 Cc1ncsc1CCC(=O)[C@@H](C)O 1458a_100000717761_100000057103 [0,1,0,0,0,0|1,0,2]=4 400 B13R1.169 Cc1ncsc1CCC(=O)[C@H](C)O 1458a_217856618621_100000057103 [0,1,0,0,0,0|1,0,2]=4 401 B13R1.169 Cc1ncsc1CCN(C)C(C)C 2230a_100025748334_100000210206 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.169 Cc1ncsc1CCN(C)C(C)C 269982a_100025748334_100000210206 [0,1,0,0,0,0|2,0,1]=4 403 B13R1.169 Cc1ncsc1CCN(C)C(C)C 269982a_200000211004_100000057103 [0,1,0,0,0,0|2,0,1]=4 404 B13R1.169 Cc1ncsc1CNC(=O)C(=O)N 240690a_100000752186_100011215815 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.169 Cc1ncsc1CNC(C)C(=O)N 2230a_100000752186_100000702099 [0,1,0,0,0,0|3,0,0]=4 406 B13R1.169 Cc1ncsc1CNC(F)C(=O)N 2230a_100000752186_100009813875 [0,1,0,0,0,0|3,0,0]=4 407 B13R1.169 Cc1ncsc1COC(C)C(=O)N 34a_100000750112_100000702099 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.169 Cc1ncsc1COC(C)C(=O)N 7a_100000750112_100000702099 [0,1,0,0,0,0|3,0,0]=4 409 B13R1.169 Cc1ncsc1COC(F)C(=O)N 34a_100000750112_100009813875 [0,1,0,0,0,0|3,0,0]=4 410 B13R1.169 Cc1ncsc1COC(F)C(=O)N 7a_100000750112_100009813875 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.169 Cc1ncsc1COC(F)C(=O)[O-] 34a_100000750112_100020610796 [0,1,0,0,0,0|3,0,0]=4 412 B13R1.195 Cc1ncsc1CCNC(C)(C)C 2230a_100000715429_100000057103 [0,1,0,0,0,0|2,0,1]=4 413 B13R1.195 Cc1ncsc1CCNC(C)(C)C 34a_100000238517_100000210625 [0,1,0,0,0,0|2,0,1]=4 414 B13R1.195 Cc1ncsc1CCNS(=O)(=O)C 40a_100000238517_100000738038 [0,1,0,0,0,0|2,0,0]=3 415 B13R1.195 Cc1ncsc1CCOC(C)(C)C 34a_100000211055_100000210625 [0,1,0,0,0,0|1,0,1]=3 416 B13R1.195 Cc1ncsc1CCOC(C)(C)C 34a_100015890283_100000057103 [0,1,0,0,0,0|1,0,1]=3 417 B13R1.195 Cc1ncsc1CCOC(C)(C)C 7a_100015890283_100000057103 [0,1,0,0,0,0|1,0,1]=3 418 B13R1.195 Cc1ncsc1CCOC(F)(F)F 34a_100000211055_200103152311 [0,1,0,0,0,0|2,0,1]=4 419 B13R1.195 Cc1ncsc1CCOC(F)(F)F 7a_100000211055_200000243211 [0,1,0,0,0,0|2,0,1]=4 420 B13R1.195 Cc1ncsc1CCSC(C)(C)C 62a_100000057103_100000211941 [0,1,0,0,0,0|1,1,1]=4 421 B13R1.195 Cc1ncsc1CCSC(C)(C)C 62a_100000211941_100000057103 [0,1,0,0,0,0|1,1,1]=4 422 B13R1.195 Cc1ncsc1SCCS(=O)(=O)C 62a_100000731031_100009817116 [0,1,0,0,0,0|3,0,0]=4 423 B13R1.195 Cc1ncsc1SCCS(=O)(=O)C 62a_100009817116_100000230027 [0,1,0,0,0,0|3,0,0]=4 424 B13R1.282 CC(=O)OC(C)Sc1[nH]cnc1Cl 62a_100009818208_100010200774 [0,1,0,0,0,0|3,0,0]=4 425 B13R1.282 CC(=O)OC(C)Sc1[nH]cnc1Cl 62a_100010200774_100009818208 [0,1,0,0,0,0|3,0,0]=4 426 B13R1.282 CC(=O)OC(C)Sc1c[nH]nc1C 62a_100000692133_100009818208 [0,1,0,0,0,0|3,0,0]=4 427 B13R1.282 CC(=O)OC(C)Sc1c[nH]nc1C 62a_100009818208_100000692133 [0,1,0,0,0,0|3,0,0]=4 428 B13R1.282 CC(=O)OC(C)Sc1ccnn1C 62a_100000688441_100009818208 [0,1,0,0,0,0|3,0,0]=4 429 B13R1.282 CC(=O)OC(C)Sc1ccnn1C 62a_100009818208_100000688441 [0,1,0,0,0,0|3,0,0]=4 430 B13R1.282 CC(=O)OC(C)Sc1ccsc1C 62a_100000684487_100009818208 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.282 CC(=O)OC(C)Sc1ccsc1C 62a_100009818208_100000684487 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.282 CC(=O)OC(C)Sc1nc[nH]c1C 62a_100009818208_100010186451 [0,1,0,0,0,0|2,0,1]=4 433 B13R1.282 CC(=O)OC(C)Sc1nc[nH]c1C 62a_100010186451_100009818208 [0,1,0,0,0,0|2,0,1]=4 434 B13R1.282 CC(=O)OC(C)Sc1ncnn1C 62a_100000732653_100009818208 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.282 CC(=O)OC(C)Sc1ncnn1C 62a_100009818208_100000732653 [0,1,0,0,0,0|3,0,0]=4 436 B13R1.282 CC(=O)OC(C)Sc1ncsc1C 62a_100000732656_100009818208 [0,1,0,0,0,0|3,0,0]=4 437 B13R1.282 CC(=O)OC(C)Sc1ncsc1C 62a_100009818208_100000732656 [0,1,0,0,0,0|3,0,0]=4 438 B13R1.282 CC(=O)OC(C)Sc1sccc1Br 62a_100009818208_100012361411 [0,1,0,0,0,0|3,0,0]=4 439 B13R1.282 CC(=O)OC(C)Sc1sccc1Br 62a_100012361411_100009818208 [0,1,0,0,0,0|3,0,0]=4 440 B13R1.282 CC(=O)OC(C)Sc1sccc1C 62a_100009818208_100010247149 [0,1,0,0,0,0|2,0,0]=3 441 B13R1.282 CC(=O)OC(C)Sc1sccc1C 62a_100010247149_100009818208 [0,1,0,0,0,0|2,0,0]=3 442 B13R1.282 CC(=O)OC(C)Sc1scnc1C 62a_100009817116_100009818208 [0,1,0,0,0,0|1,0,0]=2 443 B13R1.282 CC(=O)OC(C)Sc1scnc1C 62a_100009818208_100009817116 [0,1,0,0,0,0|1,0,0]=2 444 B13R1.599 C#CC(C)NCCc1scnc1C 2230a_100000707721_100000057103 [0,1,0,0,0,0|2,0,1]=4 445 B13R1.599 C#CC(C)NCCc1scnc1C 34a_100000238517_200000035995 [0,1,0,0,0,0|2,0,1]=4 446 B13R1.599 C#CC(C)NCCc1scnc1C 34a_100000707721_100000057103 [0,1,0,0,0,0|2,0,1]=4 447 B13R1.599 C#CC(C)OCCc1scnc1C 34a_100000211055_200000035995 [0,1,0,0,0,0|1,0,1]=3 448 B13R1.599 C#CC(C)SCCc1scnc1C 62a_200000035995_100000057103 [0,1,0,0,0,0|1,1,1]=4 449 B13R1.599 C#C[C@@H](C)OCCc1scnc1C 34a_100009815206_100000057103 [0,1,0,0,0,0|1,0,1]=3 450 B13R1.599 C#C[C@@H](C)OCCc1scnc1C 7a_100009815206_100000057103 [0,1,0,0,0,0|1,0,1]=3 451 B13R1.599 C=CC(=O)NCCc1scnc1C 1626a_100000238517_100000185746 [0,1,0,0,0,0|1,0,1]=3 452 B13R1.599 C=CC(=O)NCCc1scnc1C 240690a_100000238517_200121576911 [0,1,0,0,0,0|1,0,1]=3 453 B13R1.599 C=CC(C)OCCc1scnc1C 34a_100000695699_100000057103 [0,1,0,0,0,0|1,0,1]=3 454 B13R1.599 C=CC(C)SCCc1scnc1C 62a_100011215867_100000057103 [0,1,0,0,0,0|1,1,1]=4 455 B13R1.599 CCC(=O)CCCn1ccnc1C 1458a_100000210414_100000690325 [0,1,0,0,0,0|3,0,0]=4 456 B13R1.599 CCC(=O)CCCn1ccnc1C 1458a_100000748694_100000210202 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.599 CCC(=O)COCc1ocnc1C 7a_100000717716_100000747405 [0,1,0,0,0,0|2,1,0]=4 458 B13R1.599 CCC(=O)COCc1sccc1C 7a_100000238368_100000747405 [0,1,0,0,0,0|3,0,0]=4 459 B13R1.599 CCC(=O)COCc1scnc1Br 7a_100012000948_100000747405 [0,1,0,0,0,0|3,0,0]=4 460 B13R1.599 CCC(=O)COCc1scnc1C 7a_100000750112_100000747405 [0,1,0,0,0,0|2,0,0]=3 461 B13R1.599 CCC(=O)COCc1snnc1C 34a_100000725409_100000732739 [0,1,0,0,0,0|3,0,0]=4 462 B13R1.599 CCC(=O)CSCc1snnc1C 62a_100000732739_100000747405 [0,1,0,0,0,0|3,0,0]=4 463 B13R1.599 CCC(=O)CSCc1snnc1C 62a_100000747405_100000732739 [0,1,0,0,0,0|3,0,0]=4 464 B13R1.599 CCC(=O)NCCc1ncnn1C 11a_100000686402_100000210414 [0,1,0,0,0,0|3,0,0]=4 465 B13R1.599 CCC(=O)NCCc1ncnn1C 240690a_100000686402_100000210414 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.599 CCC(=O)NCCc1ncnn1C 527a_100000686402_100000210414 [0,1,0,0,0,0|3,0,0]=4 467 B13R1.599 CCC(=O)NCCc1scnc1C 11a_100000238517_100000210414 [0,1,0,0,0,0|1,0,0]=2 468 B13R1.599 CCC(=O)NCCc1scnc1C 1626a_100000238517_100000210414 [0,1,0,0,0,0|1,0,0]=2 469 B13R1.599 CCC(=O)NCCc1scnc1C 240690a_100000238517_100000210414 [0,1,0,0,0,0|1,0,0]=2 470 B13R1.599 CCC(=O)NCCc1scnc1C 527a_100000238517_100000210414 [0,1,0,0,0,0|1,0,0]=2 471 B13R1.599 CCC(=O)NCCn1ccnc1C 11a_100015184736_100000210414 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.599 CCC(=O)NCCn1ccnc1C 1626a_100015184736_100000210414 [0,1,0,0,0,0|3,0,0]=4 473 B13R1.599 CCC(=O)NCCn1ccnc1C 240690a_100015184736_100000210414 [0,1,0,0,0,0|3,0,0]=4 474 B13R1.599 CCC(=O)NCCn1ccnc1C 527a_100015184736_100000210414 [0,1,0,0,0,0|3,0,0]=4 475 B13R1.599 CCC(=O)NN=Cc1scnc1C 4a_100000183195_100000764165 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.599 CCC(C)NCCc1scnc1C 2230a_100000209981_100000057103 [0,1,0,0,0,0|2,0,1]=4 477 B13R1.599 CCC(C)NCCc1scnc1C 2230a_100000238517_100000758301 [0,1,0,0,0,0|2,0,1]=4 478 B13R1.599 CCC(C)NCCc1scnc1C 34a_100000238517_100011215416 [0,1,0,0,0,0|2,0,1]=4 479 B13R1.599 CCC(C)OCCc1scnc1C 34a_100000211055_100011215416 [0,1,0,0,0,0|1,0,1]=3 480 B13R1.599 CCC(C)OCCc1scnc1C 7a_100000210228_100000057103 [0,1,0,0,0,0|1,0,1]=3 481 B13R1.599 CCC(C)OCCc1scnc1C 7a_100000211055_100000758301 [0,1,0,0,0,0|1,0,1]=3 482 B13R1.599 CCC(C)SCCc1scnc1C 62a_100000057103_100000758301 [0,1,0,0,0,0|1,1,1]=4 483 B13R1.599 CCC(C)SCCc1scnc1C 62a_100000758301_100000057103 [0,1,0,0,0,0|1,1,1]=4 484 B13R1.599 CNC(=O)CCCn1ccnc1C 11a_106832991635_100000748694 [0,1,0,0,0,0|3,0,0]=4 485 B13R1.599 CNC(=O)CCCn1ccnc1C 1626a_100102657272_100000748694 [0,1,0,0,0,0|3,0,0]=4 486 B13R1.599 CNC(=O)CCCn1ccnc1C 240690a_100102657272_100000748694 [0,1,0,0,0,0|3,0,0]=4 487 B13R1.599 CNC(=O)CCCn1ccnc1C 527a_100102657272_100000748694 [0,1,0,0,0,0|3,0,0]=4 488 B13R1.599 CNC(=O)CCSc1sccc1C 62a_100000737683_100010247149 [0,1,0,0,0,0|3,0,0]=4 489 B13R1.599 CNC(=O)CCSc1sccc1C 62a_100010247149_100000737683 [0,1,0,0,0,0|3,0,0]=4 490 B13R1.599 CNC(=O)CCSc1scnc1C 62a_100000737683_100009817116 [0,1,0,0,0,0|2,0,0]=3 491 B13R1.599 CNC(=O)CCSc1scnc1C 62a_100009817116_100000737683 [0,1,0,0,0,0|2,0,0]=3 492 B13R1.599 CNC(=O)CNCc1sccc1C 207a_100000693194_100000210881 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.599 CNC(=O)CNCc1sccc1C 2230a_100000238519_100000183359 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.599 CNC(=O)CNCc1sccc1C 270004a_100000693194_100000210881 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.599 CNC(=O)CNCc1sccc1C 34a_100000238519_100000183359 [0,1,0,0,0,0|3,0,0]=4 496 B13R1.599 CNC(=O)CNCc1scnc1C 207a_100000693194_100000764165 [0,1,0,0,0,0|2,0,0]=3 497 B13R1.599 CNC(=O)CNCc1scnc1C 2230a_100000752186_100000183359 [0,1,0,0,0,0|2,0,0]=3 498 B13R1.599 CNC(=O)CNCc1snnc1C 2230a_100000693194_100000732739 [0,1,0,0,0,0|3,0,0]=4 499 B13R1.599 CNC(=O)CNCc1snnc1C 2230a_100000732738_100000183359 [0,1,0,0,0,0|3,0,0]=4 500 B13R1.599 CNC(=O)CNCc1snnc1C 270004a_100000693194_100000732746 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.599 CNC(=O)COCc1ocnc1C 34a_100000717716_100000183359 [0,1,0,0,0,0|2,1,0]=4 502 B13R1.599 CNC(=O)COCc1ocnc1C 7a_100000717716_100000183359 [0,1,0,0,0,0|2,1,0]=4 503 B13R1.599 CNC(=O)COCc1sccc1C 34a_100000238368_100000183359 [0,1,0,0,0,0|3,0,0]=4 504 B13R1.599 CNC(=O)COCc1sccc1C 7a_100000238368_100000183359 [0,1,0,0,0,0|3,0,0]=4 505 B13R1.599 CNC(=O)COCc1scnc1Br 7a_100012000948_100000183359 [0,1,0,0,0,0|3,0,0]=4 506 B13R1.599 CNC(=O)COCc1scnc1C 34a_100000750112_100000183359 [0,1,0,0,0,0|2,0,0]=3 507 B13R1.599 CNC(=O)COCc1scnc1C 7a_100000750112_100000183359 [0,1,0,0,0,0|2,0,0]=3 508 B13R1.599 CNC(=O)COCc1snnc1C 34a_100000750040_100000732739 [0,1,0,0,0,0|3,0,0]=4 509 B13R1.599 CNC(=O)CSCc1snnc1C 62a_100000183359_100000732739 [0,1,0,0,0,0|3,0,0]=4 510 B13R1.599 CNC(=O)CSCc1snnc1C 62a_100000732739_100000183359 [0,1,0,0,0,0|3,0,0]=4 511 B13R1.599 CNC(=O)NCCc1ncnn1C 2708a_100000686402_106832991635 [0,1,0,0,0,0|3,0,0]=4 512 B13R1.599 CNC(=O)NCCc1ncnn1C 2708a_100102657272_100000686402 [0,1,0,0,0,0|3,0,0]=4 513 B13R1.599 CNC(=O)NCCc1ncnn1C 273464a_100000686402_100102657272 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.599 CNC(=O)NCCc1ncnn1C 273464a_100102657272_100000686402 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.599 CNC(=O)NCCc1ncnn1C 512a_100000686402_100102657272 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.599 CNC(=O)NCCc1ncnn1C 512a_106832991638_100000686402 [0,1,0,0,0,0|3,0,0]=4 517 B13R1.599 CNC(=O)NCCc1scnc1C 2708a_100000238517_106832991635 [0,1,0,0,0,0|1,0,0]=2 518 B13R1.599 CNC(=O)NCCc1scnc1C 2708a_100102657272_100000238517 [0,1,0,0,0,0|1,0,0]=2 519 B13R1.599 CNC(=O)NCCc1scnc1C 273464a_100000238517_100102657272 [0,1,0,0,0,0|1,0,0]=2 520 B13R1.599 CNC(=O)NCCc1scnc1C 273464a_100102657272_100000238517 [0,1,0,0,0,0|1,0,0]=2 521 B13R1.599 CNC(=O)NCCc1scnc1C 512a_100000238517_100102657272 [0,1,0,0,0,0|1,0,0]=2 522 B13R1.599 CNC(=O)NCCc1scnc1C 512a_106832991638_100000238517 [0,1,0,0,0,0|1,0,0]=2 523 B13R1.599 CNC(=O)NCCn1ccnc1C 2708a_100015184736_106832991635 [0,1,0,0,0,0|3,0,0]=4 524 B13R1.599 CNC(=O)NCCn1ccnc1C 2708a_100102657272_100015184736 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.599 CNC(=O)NCCn1ccnc1C 273464a_100015184736_100102657272 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.599 CNC(=O)NCCn1ccnc1C 273464a_100102657272_100015184736 [0,1,0,0,0,0|3,0,0]=4 527 B13R1.599 CNC(=O)NCCn1ccnc1C 512a_100015184736_100102657272 [0,1,0,0,0,0|3,0,0]=4 528 B13R1.599 CNC(=O)NCCn1ccnc1C 512a_106832991638_100015184736 [0,1,0,0,0,0|3,0,0]=4 529 B13R1.599 COC(=O)CCSc1sccc1C 62a_100000204255_100010247149 [0,1,0,0,0,0|3,0,0]=4 530 B13R1.599 COC(=O)CCSc1sccc1C 62a_100010247149_100000204255 [0,1,0,0,0,0|3,0,0]=4 531 B13R1.599 COC(=O)CCSc1scnc1C 62a_100000204255_100009817116 [0,1,0,0,0,0|2,0,0]=3 532 B13R1.599 COC(=O)CCSc1scnc1C 62a_100009817116_100000204255 [0,1,0,0,0,0|2,0,0]=3 533 B13R1.599 COC(=O)CNCc1sccc1C 2230a_100000238519_100000747449 [0,1,0,0,0,0|3,0,0]=4 534 B13R1.599 COC(=O)CNCc1sccc1C 34a_100000238519_100000747449 [0,1,0,0,0,0|3,0,0]=4 535 B13R1.599 COC(=O)CNCc1scnc1C 2230a_100000752186_100000747449 [0,1,0,0,0,0|2,0,0]=3 536 B13R1.599 COC(=O)CNCc1snnc1C 2230a_100000732738_100000747449 [0,1,0,0,0,0|3,0,0]=4 537 B13R1.599 COC(=O)COCc1ocnc1C 34a_100000717716_100000747449 [0,1,0,0,0,0|2,1,0]=4 538 B13R1.599 COC(=O)COCc1ocnc1C 7a_100000717716_100000747449 [0,1,0,0,0,0|2,1,0]=4 539 B13R1.599 COC(=O)COCc1sccc1C 34a_100000238368_100000747449 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.599 COC(=O)COCc1sccc1C 7a_100000238368_100000747449 [0,1,0,0,0,0|3,0,0]=4 541 B13R1.599 COC(=O)COCc1scnc1Br 7a_100012000948_100000747449 [0,1,0,0,0,0|3,0,0]=4 542 B13R1.599 COC(=O)COCc1scnc1C 34a_100000750112_100000747449 [0,1,0,0,0,0|2,0,0]=3 543 B13R1.599 COC(=O)COCc1scnc1C 7a_100000750112_100000747449 [0,1,0,0,0,0|2,0,0]=3 544 B13R1.599 COC(=O)CSCc1snnc1C 62a_100000732739_100000747449 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.599 COC(=O)CSCc1snnc1C 62a_100000747449_100000732739 [0,1,0,0,0,0|3,0,0]=4 546 B13R1.599 COC(=O)OCSc1[nH]cnc1Cl 62a_100010200774_100000139417 [0,1,0,0,0,0|3,0,0]=4 547 B13R1.599 COC(=O)OCSc1c[nH]nc1C 62a_100000692133_100000139417 [0,1,0,0,0,0|3,0,0]=4 548 B13R1.599 COC(=O)OCSc1ccnn1C 62a_100000688441_100000139417 [0,1,0,0,0,0|3,0,0]=4 549 B13R1.599 COC(=O)OCSc1ccsc1C 62a_100000684487_100000139417 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.599 COC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000139417 [0,1,0,0,0,0|2,0,1]=4 551 B13R1.599 COC(=O)OCSc1ncnn1C 62a_100000732653_100000139417 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.599 COC(=O)OCSc1ncsc1C 62a_100000732656_100000139417 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.599 COC(=O)OCSc1sccc1Br 62a_100012361411_100000139417 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.599 COC(=O)OCSc1sccc1C 62a_100010247149_100000139417 [0,1,0,0,0,0|2,0,0]=3 555 B13R1.599 COC(=O)OCSc1scnc1C 62a_100009817116_100000139417 [0,1,0,0,0,0|1,0,0]=2 556 B13R1.599 COC(C)SCCc1scnc1C 62a_100000057103_100009879195 [0,1,0,0,0,0|0,1,2]=4 557 B13R1.599 COC(C)SCCc1scnc1C 62a_100009879195_100000057103 [0,1,0,0,0,0|0,1,2]=4 558 B13R1.599 Cc1nccn1CCCC(=O)CF 1458a_100000748694_100015361967 [0,1,0,0,0,0|3,0,0]=4 559 B13R1.599 Cc1nccn1CCCC(=O)CO 1458a_100000210174_100000690325 [0,1,0,0,0,0|3,0,0]=4 560 B13R1.599 Cc1nccn1CCNC(=O)CO 240690a_100015184736_100000210174 [0,1,0,0,0,0|3,0,0]=4 561 B13R1.599 Cc1nccn1CCNC(=O)CO 527a_100015184736_100000210174 [0,1,0,0,0,0|3,0,0]=4 562 B13R1.599 Cc1ncsc1CCNC(=O)CO 240690a_100000238517_100000210174 [0,1,0,0,0,0|1,0,0]=2 563 B13R1.599 Cc1ncsc1CCNC(=O)CO 527a_100000238517_100000210174 [0,1,0,0,0,0|1,0,0]=2 564 B13R1.599 Cc1ncsc1CCNC(C)C#N 2230a_100000238517_100000184139 [0,1,0,0,0,0|2,0,1]=4 565 B13R1.599 Cc1ncsc1CCNC(C)C#N 2230a_100000737613_100000057103 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.599 Cc1ncsc1CCNC(C)CO 2230a_100000238517_100012180447 [0,1,0,0,0,0|1,0,2]=4 567 B13R1.599 Cc1ncsc1CCNC(C)CO 34a_100000238517_100012180447 [0,1,0,0,0,0|1,0,2]=4 568 B13R1.599 Cc1ncsc1CCN[C@H](C)CO 2230a_100000737577_100000057103 [0,1,0,0,0,0|1,0,2]=4 569 B13R1.599 Cc1ncsc1CCOC(C)C#N 34a_100011218135_100000057103 [0,1,0,0,0,0|1,0,1]=3 570 B13R1.599 Cc1ncsc1CCOC(C)C#N 7a_100000211055_100000703298 [0,1,0,0,0,0|1,0,1]=3 571 B13R1.599 Cc1ncsc1CCOC(C)CF 34a_100016041109_100000057103 [0,1,0,0,0,0|1,0,1]=3 572 B13R1.599 Cc1ncsc1CCOC(C)CF 7a_100016041109_100000057103 [0,1,0,0,0,0|1,0,1]=3 573 B13R1.599 Cc1ncsc1CCOC(C)CN 34a_100000210904_100000057103 [0,1,0,0,0,0|1,0,1]=3 574 B13R1.599 Cc1ncsc1CCOC(C)CO 34a_100000211055_100012180447 [0,1,0,0,0,0|0,0,2]=3 575 B13R1.599 Cc1ncsc1CCOC(C)CO 7a_100000211055_100012180447 [0,1,0,0,0,0|0,0,2]=3 576 B13R1.599 Cc1ncsc1CCSC(C)C#N 62a_100000057103_100000703298 [0,1,0,0,0,0|1,1,1]=4 577 B13R1.599 Cc1ncsc1CCSC(C)C#N 62a_100000703298_100000057103 [0,1,0,0,0,0|1,1,1]=4 578 B13R1.599 Cc1ncsc1CCSC(C)CO 62a_100012180447_100000057103 [0,1,0,0,0,0|0,1,2]=4 579 B13R1.599 Cc1ncsc1CCS[C@H](C)CO 62a_100000057103_100016084084 [0,1,0,0,0,0|0,1,2]=4 580 B13R1.599 Cc1ncsc1CCS[C@H](C)CO 62a_100016084084_100000057103 [0,1,0,0,0,0|0,1,2]=4 581 B13R1.599 Cn1ncnc1CCNC(=O)CO 240690a_100000686402_100000210174 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.599 Cn1ncnc1CCNC(=O)CO 527a_100000686402_100000210174 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.3485 C=C(C)CCSc1sc(nc1C)C 62a_100000730704_100009814099 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.3485 C=C(C)CCSc1sc(nc1C)C 62a_100009814099_100000730704 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.3485 C=C(C)CCSc1sc(nc1C)N 62a_100000730704_100159269596 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.3485 C=C(C)CCSc1sc(nc1C)N 62a_100159269596_100000730704 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.3485 C=C(C)CNCc1sc(nc1C)C 2230a_100000761763_100000748629 [0,1,0,0,0,0|3,0,0]=4 588 B13R1.3485 C=C(C)COCc1sc(nc1C)Br 7a_100010264302_100000748629 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.3485 C=C(C)COCc1sc(nc1C)C 34a_100000210245_100000760948 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.3485 C=C(C)COCc1sc(nc1C)C 34a_100000750043_100000748629 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.3485 C=C(C)COCc1sc(nc1C)C 7a_100000750043_100000748629 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.3485 C=C(C)CSCc1sc(nc1C)C 62a_100000748629_100000760948 [0,1,0,0,0,0|3,0,0]=4 593 B13R1.3485 C=C(C)CSCc1sc(nc1C)C 62a_100000760948_100000211660 [0,1,0,0,0,0|3,0,0]=4 594 B13R1.3485 CC(=CCSc1sc(nc1C)C)C 62a_100000761012_100009814099 [0,1,0,0,0,0|3,0,0]=4 595 B13R1.3485 CC(=CCSc1sc(nc1C)C)C 62a_100009814099_100000761012 [0,1,0,0,0,0|3,0,0]=4 596 B13R1.3485 CC(=CCSc1sc(nc1C)N)C 62a_100000761012_100159269596 [0,1,0,0,0,0|3,0,0]=4 597 B13R1.3485 CC(=CCSc1sc(nc1C)N)C 62a_100159269596_100000761012 [0,1,0,0,0,0|3,0,0]=4 598 B13R1.3485 CC(=O)CCSc1sc(cc1C)C 62a_100000053229_100000689295 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.3485 CC(=O)CCSc1sc(cc1C)C 62a_100000689295_100000053229 [0,1,0,0,0,0|3,0,0]=4 600 B13R1.3485 CC(=O)CCSc1sc(nc1C)C 62a_100000053229_100009814099 [0,1,0,0,0,0|2,0,0]=3 601 B13R1.3485 CC(=O)CCSc1sc(nc1C)C 62a_100009814099_100000053229 [0,1,0,0,0,0|2,0,0]=3 602 B13R1.3485 CC(=O)CCSc1sc(nc1C)N 62a_100000053229_100159269596 [0,1,0,0,0,0|2,0,0]=3 603 B13R1.3485 CC(=O)CCSc1sc(nc1C)N 62a_100159269596_100000053229 [0,1,0,0,0,0|2,0,0]=3 604 B13R1.3485 CC(=O)COCc1sc(nc1Br)C 34a_100000211253_100015664652 [0,1,0,0,0,0|3,0,0]=4 605 B13R1.3485 CC(=O)COCc1sc(nc1C)C 34a_100000211253_100000760948 [0,1,0,0,0,0|2,0,0]=3 606 B13R1.3485 CC(=O)NCCn1nc(nc1C)C 11a_100132313891_100015343762 [0,1,0,0,0,0|3,0,0]=4 607 B13R1.3485 CC(=O)NCCn1nc(nc1C)C 1626a_100132313891_100015343762 [0,1,0,0,0,0|3,0,0]=4 608 B13R1.3485 CC(=O)NCCn1nc(nc1C)C 240690a_100132313891_100015343762 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.3485 CC(=O)NCCn1nc(nc1C)C 527a_100132313891_100103153847 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.3485 CC(=O)NN=Cc1sc(nc1C)Br 4a_100000189765_100010339034 [0,1,0,0,0,0|2,0,1]=4 611 B13R1.3485 CC(=O)NN=Cc1sc(nc1C)C 4a_100000189765_100000757988 [0,1,0,0,0,0|2,0,1]=4 612 B13R1.3485 CC(=O)OCOc1cc(nn1C)C 34a_100000738638_100009813279 [0,1,0,0,0,0|3,0,0]=4 613 B13R1.3485 CC(=O)OCSc1cc(nn1C)C 62a_100000076356_100009818511 [0,1,0,0,0,0|3,0,0]=4 614 B13R1.3485 CC(=O)OCSc1cc(nn1C)C 62a_100009818511_100000076356 [0,1,0,0,0,0|3,0,0]=4 615 B13R1.3485 CC(=O)OCSc1cc(nn1C)N 62a_100000076356_100116209741 [0,1,0,0,0,0|3,0,0]=4 616 B13R1.3485 CC(=O)OCSc1cc(nn1C)N 62a_100116209741_100000076356 [0,1,0,0,0,0|3,0,0]=4 617 B13R1.3485 CC(=O)OCSc1cc(sc1C)C 62a_100000076356_100000688054 [0,1,0,0,0,0|3,0,0]=4 618 B13R1.3485 CC(=O)OCSc1cc(sc1C)C 62a_100000688054_100000076356 [0,1,0,0,0,0|3,0,0]=4 619 B13R1.3485 CC(=O)OCSc1cn(nc1C)C 62a_100000076356_100011996311 [0,1,0,0,0,0|3,0,0]=4 620 B13R1.3485 CC(=O)OCSc1cn(nc1C)C 62a_100011996311_100000076356 [0,1,0,0,0,0|3,0,0]=4 621 B13R1.3485 CC(=O)OCSc1nc([nH]c1C)C 62a_100000076356_200009820778 [0,1,0,0,0,0|2,0,1]=4 622 B13R1.3485 CC(=O)OCSc1nc([nH]c1C)C 62a_200009820778_100000076356 [0,1,0,0,0,0|2,0,1]=4 623 B13R1.3485 CC(=O)OCSc1nc(sc1C)C 62a_100000076356_100010270876 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.3485 CC(=O)OCSc1nc(sc1C)C 62a_100010270876_100000076356 [0,1,0,0,0,0|3,0,0]=4 625 B13R1.3485 CC(=O)OCSc1nc(sc1C)N 62a_100000076356_100009817509 [0,1,0,0,0,0|3,0,0]=4 626 B13R1.3485 CC(=O)OCSc1nc(sc1C)N 62a_100009817509_100000076356 [0,1,0,0,0,0|3,0,0]=4 627 B13R1.3485 CC(=O)OCSc1nn(nc1C)C 62a_100000076356_200009884731 [0,1,0,0,0,0|3,0,0]=4 628 B13R1.3485 CC(=O)OCSc1nn(nc1C)C 62a_200009884731_100000076356 [0,1,0,0,0,0|3,0,0]=4 629 B13R1.3485 CC(=O)OCSc1sc(cc1C)C 62a_100000076356_100000689295 [0,1,0,0,0,0|2,0,0]=3 630 B13R1.3485 CC(=O)OCSc1sc(cc1C)C 62a_100000689295_100000076356 [0,1,0,0,0,0|2,0,0]=3 631 B13R1.3485 CC(=O)OCSc1sc(nc1C)C 62a_100000076356_100009814099 [0,1,0,0,0,0|1,0,0]=2 632 B13R1.3485 CC(=O)OCSc1sc(nc1C)C 62a_100009814099_100000076356 [0,1,0,0,0,0|1,0,0]=2 633 B13R1.3485 CC(=O)OCSc1sc(nc1C)N 62a_100000076356_100159269596 [0,1,0,0,0,0|1,0,0]=2 634 B13R1.3485 CC(=O)OCSc1sc(nc1C)N 62a_100159269596_100000076356 [0,1,0,0,0,0|1,0,0]=2 635 B13R1.3485 Cc1nc(c(s1)CNCC(=O)N)C 2230a_100000711301_100000760948 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.3485 Cc1nc(c(s1)CNCC(=O)N)C 2230a_100000761763_100000747473 [0,1,0,0,0,0|3,0,0]=4 637 B13R1.3485 Cc1nc(c(s1)CNCC(=O)O)C 269956a_100016091260_100000760948 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.3485 Cc1nc(c(s1)COCC(=O)N)C 34a_100000750043_100000187820 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.3485 Cc1nc(c(s1)COCC(=O)N)C 7a_100000750043_100000187820 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.3485 Cc1nc(c(s1)COCC(=O)[O-])C 34a_100000750043_100020667443 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.3485 Cc1nc(c(s1)CSCC(=O)N)C 62a_100000747473_100000760948 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.3485 Cc1nc(c(s1)CSCC(=O)N)C 62a_100000760948_100000747473 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.3485 Cc1nc(c(s1)CSCC(=O)[O-])C 62a_100000760948_100020667443 [0,1,0,0,0,0|3,0,0]=4 644 B13R1.3485 Cc1nc(c(s1)CSCC(=O)[O-])C 62a_100020667443_100000760948 [0,1,0,0,0,0|3,0,0]=4 645 B13R1.3485 Cc1nc(c(s1)SCCC(=O)N)C 62a_100000744528_100009814099 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.3485 Cc1nc(c(s1)SCCC(=O)N)C 62a_100009814099_100000744528 [0,1,0,0,0,0|3,0,0]=4 647 B13R1.3485 Cc1nc(c(s1)SCOC(C)C)C 62a_100000709892_100009814099 [0,1,0,0,0,0|2,0,1]=4 648 B13R1.3485 Cc1nc(c(s1)SCOC(C)C)C 62a_100009814099_100000709892 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.3485 Cc1nc(sc1COCC(=O)N)Br 7a_100010264302_100000187820 [0,1,0,0,0,0|3,0,0]=4 650 B13R1.3485 Cc1nc(sc1SCCC(=O)N)N 62a_100000744528_100159269596 [0,1,0,0,0,0|3,0,0]=4 651 B13R1.3485 Cc1nc(sc1SCCC(=O)N)N 62a_100159269596_100000744528 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.3485 Cc1nc(sc1SCOC(C)C)N 62a_100000709892_100159269596 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.3485 Cc1nc(sc1SCOC(C)C)N 62a_100159269596_100000709892 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.3529 CC(=O)NCCc1c(n[nH]c1C)C 11a_100015186435_100015343762 [0,1,0,0,0,0|3,0,0]=4 655 B13R1.3529 CC(=O)NCCc1c(n[nH]c1C)C 240690a_100015186435_100015343762 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.3529 CC(=O)NCCc1c(n[nH]c1C)C 527a_100015186435_100103153847 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.3529 CC(=O)NCCc1c(noc1C)C 11a_100000753187_100015343762 [0,1,0,0,0,0|3,0,0]=4 658 B13R1.3529 CC(=O)NCCc1c(noc1C)C 1626a_100000753187_100015343762 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.3529 CC(=O)NCCc1c(noc1C)C 240690a_100000753187_100015343762 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.3529 CC(=O)NCCc1c(noc1C)C 527a_100000753187_100103153847 [0,1,0,0,0,0|3,0,0]=4 661 B13R1.3529 CC(=O)OCOc1c(n[nH]c1C)C 34a_100012186652_100009813279 [0,1,0,0,0,0|3,0,0]=4 662 B13R1.3529 CC(=O)OCSc1c(n[nH]c1C)C 62a_100000076356_100000238710 [0,1,0,0,0,0|3,0,0]=4 663 B13R1.3529 CC(=O)OCSc1c(n[nH]c1C)C 62a_100000238710_100000076356 [0,1,0,0,0,0|3,0,0]=4 664 B13R1.3529 CC(=O)OCSc1c(n[nH]c1N)C 62a_100000076356_100000182022 [0,1,0,0,0,0|3,0,0]=4 665 B13R1.3529 CC(=O)OCSc1c(n[nH]c1N)C 62a_100000182022_100000076356 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.3529 CC(=O)OCSc1c(nnn1C)C 62a_100000076356_100016037793 [0,1,0,0,0,0|3,0,0]=4 667 B13R1.3529 CC(=O)OCSc1c(nnn1C)C 62a_100016037793_100000076356 [0,1,0,0,0,0|3,0,0]=4 668 B13R1.3529 CC(=O)OCSc1c(noc1C)C 62a_100000076356_100000694658 [0,1,0,0,0,0|3,0,0]=4 669 B13R1.3529 CC(=O)OCSc1c(noc1C)C 62a_100000694658_100000076356 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.3529 CC(=O)OCSc1c(noc1N)C 62a_100000076356_100000754107 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.3529 CC(=O)OCSc1c(noc1N)C 62a_100000754107_100000076356 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.3529 CC(=O)OCSc1c(nsc1N)C 62a_100000076356_100000701153 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.3529 CC(=O)OCSc1c(nsc1N)C 62a_100000701153_100000076356 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.7544 Cc1c(sc[n+]1C)CCOC(C)C 34a_100000085727_100000210206 [0,1,0,0,0,0|1,0,2]=4 675 B13R1.7544 Cc1c(sc[n+]1C)CCOC(C)C 7a_100000085727_100000210206 [0,1,0,0,0,0|1,0,2]=4 676 B11R0.145 C/C=C(\C)/C(=O)CCOC(=O)C 1458a_100020587367_100009814007 [0,0,1,0,0,0|1,1,1]=4 677 B11R0.145 C=CC(C)C(=O)CCOC(=O)C 1458a_100011216780_100009814007 [0,0,1,0,0,0|1,1,1]=4 678 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100000042594_100102629194 [0,0,1,0,0,0|1,0,2]=4 679 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100102629194_100000042594 [0,0,1,0,0,0|1,0,2]=4 680 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000042594_100000070051 [0,0,1,0,0,0|1,0,2]=4 681 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000070051_100000042594 [0,0,1,0,0,0|1,0,2]=4 682 B13R2.144 Cc1nc(no1)c2scnc2C 271570a_100010115231_100012003639 [0,0,0,1,0,0|2,0,1]=4 683 B13R2.144 Cc1ncsc1C2=CC(=O)CC2 271570a_100010737933_100009817116 [0,0,0,1,0,0|1,0,2]=4 684 B13R2.361 Cc1ccsc1SC2CC(=O)C2 62a_100009894365_100010247149 [0,0,0,1,0,0|3,0,0]=4 685 B13R2.361 Cc1ncsc1SC2CC(=O)C2 62a_100009894365_100009817116 [0,0,0,1,0,0|2,0,0]=3 686 B13R2.430 CC(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_200000210301 [0,0,0,1,0,0|2,0,0]=3 687 B13R2.430 CC(=O)N1CCc2ccsc2C1 11a_100000694341_100015343762 [0,0,0,1,0,0|3,0,0]=4 688 B13R2.430 CC(=O)N1CCc2ccsc2C1 1626a_100000694341_100015343762 [0,0,0,1,0,0|3,0,0]=4 689 B13R2.430 CC(=O)N1CCc2ccsc2C1 240690a_100000694341_100015343762 [0,0,0,1,0,0|3,0,0]=4 690 B13R2.430 CC(=O)N1CCc2ccsc2C1 527a_100000694341_100103153847 [0,0,0,1,0,0|3,0,0]=4 691 B13R2.430 CC(=O)N1CCc2nc[nH]c2C1 11a_100000723896_100015343762 [0,0,0,1,0,0|2,0,1]=4 692 B13R2.430 CC(=O)N1CCc2nc[nH]c2C1 240690a_100000723896_100015343762 [0,0,0,1,0,0|2,0,1]=4 693 B13R2.430 CC(=O)N1CCc2nc[nH]c2C1 527a_100000723896_100103153847 [0,0,0,1,0,0|2,0,1]=4 694 B13R2.430 CC(=O)N1CCc2sccc2C1 11a_100015185043_100015343762 [0,0,0,1,0,0|2,0,0]=3 695 B13R2.430 CC(=O)N1CCc2sccc2C1 1626a_100015185043_100015343762 [0,0,0,1,0,0|2,0,0]=3 696 B13R2.430 CC(=O)N1CCc2sccc2C1 240690a_100015185043_100015343762 [0,0,0,1,0,0|2,0,0]=3 697 B13R2.430 CC(=O)N1CCc2sccc2C1 527a_100015185043_100103153847 [0,0,0,1,0,0|2,0,0]=3 698 B13R2.430 CC(=O)N1CCn2ccnc2C1 11a_100000749140_100015343762 [0,0,0,1,0,0|3,0,0]=4 699 B13R2.430 CC(=O)N1CCn2ccnc2C1 240690a_100000749140_100015343762 [0,0,0,1,0,0|3,0,0]=4 700 B13R2.430 CC(=O)N1CCn2ccnc2C1 527a_100000749140_100103153847 [0,0,0,1,0,0|3,0,0]=4 701 B13R2.430 CC(=O)N1CCn2ncnc2C1 11a_100000094338_100015343762 [0,0,0,1,0,0|3,0,0]=4 702 B13R2.430 CC(=O)N1CCn2ncnc2C1 240690a_100000094338_100015343762 [0,0,0,1,0,0|3,0,0]=4 703 B13R2.430 CC(=O)N1CCn2ncnc2C1 527a_100000094338_100103153847 [0,0,0,1,0,0|3,0,0]=4 704 B13R2.430 [13CH3]C(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_200025704644 [0,0,0,1,0,0|2,0,0]=3 705 B13R2.3140 Cc1ncsc1CCNC2CC2 34a_100000212008_100000057103 [0,0,0,1,0,0|2,0,1]=4 706 B13R2.3140 Cc1ncsc1CCNC2CC2 34a_100000238517_100000211595 [0,0,0,1,0,0|2,0,1]=4 707 B13R2.3140 Cc1ncsc1CCOC2CC2 34a_100000211055_100000211595 [0,0,0,1,0,0|1,0,1]=3 708 B13R2.3140 Cc1ncsc1CCSC2CC2 62a_100000057103_100000211595 [0,0,0,1,0,0|1,1,1]=4 709 B11R1.90 C=C(C)CSc1sccc1C 62a_100000748629_100010247149 [0,0,0,0,1,0|3,0,0]=4 710 B11R1.90 C=C(C)CSc1sccc1C 62a_100010247149_100000211660 [0,0,0,0,1,0|3,0,0]=4 711 B11R1.90 C=C(C)CSc1scnc1C 62a_100000748629_100009817116 [0,0,0,0,1,0|2,0,0]=3 712 B11R1.90 C=C(C)CSc1scnc1C 62a_100009817116_100000211660 [0,0,0,0,1,0|2,0,0]=3 713 B11R1.90 C=C(F)CSc1scnc1C 62a_100000042424_100009817116 [0,0,0,0,1,0|2,0,1]=4 714 B11R1.90 C=C(F)CSc1scnc1C 62a_100009817116_100000042424 [0,0,0,0,1,0|2,0,1]=4 715 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,0,0,1,0|1,0,2]=4 716 B11R1.90 CC(=O)CCc1ccnn1C 1458a_100000763893_200000210301 [0,0,0,0,1,0|2,0,0]=3 717 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,0,0,0,1,0|3,0,0]=4 718 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,0,0,0,1,0|0,0,0]=1 719 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,0,0,0,1,0|0,0,0]=1 720 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000070787_100000742477 [0,0,0,0,1,0|2,0,0]=3 721 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000186006_200000210301 [0,0,0,0,1,0|2,0,0]=3 722 B11R1.90 CC(=O)CCn1nccc1C 1458a_100000070787_100011934269 [0,0,0,0,1,0|3,0,0]=4 723 B11R1.90 CC(=O)CCn1nccc1C 1458a_200000759149_200000210301 [0,0,0,0,1,0|3,0,0]=4 724 B11R1.90 CC(=O)NCc1c[nH]nc1C 240690a_100000737071_100015343762 [0,0,0,0,1,0|3,0,0]=4 725 B11R1.90 CC(=O)NCc1c[nH]nc1C 527a_100000737071_100103153847 [0,0,0,0,1,0|3,0,0]=4 726 B11R1.90 CC(=O)NCc1ccnn1C 11a_100025706696_100015343762 [0,0,0,0,1,0|3,0,0]=4 727 B11R1.90 CC(=O)NCc1ccnn1C 240690a_100025706696_100015343762 [0,0,0,0,1,0|3,0,0]=4 728 B11R1.90 CC(=O)NCc1ccnn1C 527a_100025706696_100103153847 [0,0,0,0,1,0|3,0,0]=4 729 B11R1.90 CC(=O)NCc1nonc1C 11a_100000756898_100015343762 [0,0,0,0,1,0|3,0,0]=4 730 B11R1.90 CC(=O)NCc1nonc1C 1626a_100000756898_100015343762 [0,0,0,0,1,0|3,0,0]=4 731 B11R1.90 CC(=O)NCc1nonc1C 240690a_100000756898_100015343762 [0,0,0,0,1,0|3,0,0]=4 732 B11R1.90 CC(=O)NCc1nonc1C 527a_100000756898_100103153847 [0,0,0,0,1,0|3,0,0]=4 733 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,0,0,0,1,0|2,0,0]=3 734 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,0,0,0,1,0|2,0,0]=3 735 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,0,0,0,1,0|2,0,0]=3 736 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,0,0,0,1,0|2,0,0]=3 737 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,0,0,0,1,0|3,0,0]=4 738 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,0,0,0,1,0|3,0,0]=4 739 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,0,0,0,1,0|3,0,0]=4 740 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,0,0,0,1,0|3,0,0]=4 741 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [0,0,0,0,1,0|1,0,0]=2 742 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [0,0,0,0,1,0|1,0,0]=2 743 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [0,0,0,0,1,0|1,0,0]=2 744 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [0,0,0,0,1,0|1,0,0]=2 745 B11R1.90 CC(=O)NCc1snnc1C 11a_100000732738_100015343762 [0,0,0,0,1,0|2,0,0]=3 746 B11R1.90 CC(=O)NCc1snnc1C 240690a_100000732738_100015343762 [0,0,0,0,1,0|2,0,0]=3 747 B11R1.90 CC(=O)NCc1snnc1C 527a_100000732738_100103153847 [0,0,0,0,1,0|2,0,0]=3 748 B11R1.90 CC(C)OCc1scnc1Br 7a_100012000948_100000210206 [0,0,0,0,1,0|2,0,1]=4 749 B11R1.90 Cc1ccnn1CCC(=O)[13CH3] 1458a_200000759149_200025704644 [0,0,0,0,1,0|3,0,0]=4 750 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,0,0,1,0|1,0,2]=4 751 B11R1.90 Cc1ccsc1COC(C)C 34a_100000238368_100000210206 [0,0,0,0,1,0|2,0,1]=4 752 B11R1.90 Cc1ccsc1COC(C)C 7a_100000238368_100000210206 [0,0,0,0,1,0|2,0,1]=4 753 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100000747473_100010247149 [0,0,0,0,1,0|3,0,0]=4 754 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100010247149_100000747473 [0,0,0,0,1,0|3,0,0]=4 755 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100010247149_100020667443 [0,0,0,0,1,0|3,0,0]=4 756 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100020667443_100010247149 [0,0,0,0,1,0|3,0,0]=4 757 B11R1.90 Cc1nccn1CCC(=O)[13CH3] 1458a_100000186006_200025704644 [0,0,0,0,1,0|2,0,0]=3 758 B11R1.90 Cc1ncoc1COC(C)C 34a_100000717716_100000210206 [0,0,0,0,1,0|1,1,1]=4 759 B11R1.90 Cc1ncoc1COC(C)C 7a_100000717716_100000210206 [0,0,0,0,1,0|1,1,1]=4 760 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,0,0,0,1,0|0,0,0]=1 761 B11R1.90 Cc1ncsc1CCN(C)C 2230a_100025748334_200000210301 [0,0,0,0,1,0|2,0,0]=3 762 B11R1.90 Cc1ncsc1CCN(C)C 2230a_100102631434_100000057103 [0,0,0,0,1,0|2,0,0]=3 763 B11R1.90 Cc1ncsc1CCN(C)C 269982a_100025748334_200000210301 [0,0,0,0,1,0|2,0,0]=3 764 B11R1.90 Cc1ncsc1CCN(C)C 269982a_100102631434_100000057103 [0,0,0,0,1,0|2,0,0]=3 765 B11R1.90 Cc1ncsc1CCN(C)[13CH3] 2230a_100025748334_200025704644 [0,0,0,0,1,0|2,0,0]=3 766 B11R1.90 Cc1ncsc1CCN(C)[13CH3] 269982a_100025748334_200025704644 [0,0,0,0,1,0|2,0,0]=3 767 B11R1.90 Cc1ncsc1CNC(C)C 207a_100138425928_100000764165 [0,0,0,0,1,0|2,0,1]=4 768 B11R1.90 Cc1ncsc1CNC(C)C 2230a_100000752186_100000210206 [0,0,0,0,1,0|2,0,1]=4 769 B11R1.90 Cc1ncsc1COC(C)C 34a_100000750112_100000210206 [0,0,0,0,1,0|1,0,1]=3 770 B11R1.90 Cc1ncsc1COC(C)C 7a_100000750112_100000210206 [0,0,0,0,1,0|1,0,1]=3 771 B11R1.90 Cc1ncsc1SCC(=O)N 62a_100000747473_100009817116 [0,0,0,0,1,0|2,0,0]=3 772 B11R1.90 Cc1ncsc1SCC(=O)N 62a_100009817116_100000747473 [0,0,0,0,1,0|2,0,0]=3 773 B11R1.90 Cc1ncsc1SCC(=O)[O-] 62a_100009817116_100020667443 [0,0,0,0,1,0|2,0,0]=3 774 B11R1.90 Cc1ncsc1SCC(=O)[O-] 62a_100020667443_100009817116 [0,0,0,0,1,0|2,0,0]=3 775 B11R1.90 Cc1ncsc1SCC(C)C 62a_100000210624_100009817116 [0,0,0,0,1,0|2,0,1]=4 776 B11R1.90 Cc1ncsc1SCC(C)C 62a_100009817116_100000210760 [0,0,0,0,1,0|2,0,1]=4 777 B11R1.90 Cc1ncsc1SCC(C)O 62a_100009817116_100011218427 [0,0,0,0,1,0|1,0,2]=4 778 B11R1.90 Cc1ncsc1SCC(C)O 62a_100011218427_100009817116 [0,0,0,0,1,0|1,0,2]=4 779 B11R1.90 Cc1ncsc1SC[C@@H](C)O 62a_100009817116_100009817552 [0,0,0,0,1,0|1,0,2]=4 780 B11R1.90 Cc1ncsc1SC[C@@H](C)O 62a_100009817552_100009817116 [0,0,0,0,1,0|1,0,2]=4 781 B11R1.90 Cc1ncsc1SC[N+](=O)[O-] 62a_100009817116_100000761209 [0,0,0,0,1,0|3,0,0]=4 782 B11R1.90 Cc1nnsc1COC(C)C 34a_100000212225_100000732739 [0,0,0,0,1,0|2,0,1]=4 783 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,0,0,0,1,0|3,0,0]=4 784 B11R1.90 Cn1nccc1CCC(=O)[13CH3] 1458a_100000763893_200025704644 [0,0,0,0,1,0|2,0,0]=3 785 B13R1.149 CC(=O)CCSc1cc(ncn1)C 62a_100000053229_100000744208 [0,0,0,0,0,1|3,0,0]=4 786 B13R1.149 CC(=O)CCSc1cc(ncn1)C 62a_100000744208_100000053229 [0,0,0,0,0,1|3,0,0]=4 787 B13R1.149 CC(=O)CCSc1ccnc(c1)C 62a_100000053229_100000758586 [0,0,0,0,0,1|3,0,0]=4 788 B13R1.149 CC(=O)CCSc1ccnc(c1)C 62a_100000758586_100000053229 [0,0,0,0,0,1|3,0,0]=4 789 B13R1.149 CC(=O)CCSc1ccnc(n1)C 62a_100000053229_100000749937 [0,0,0,0,0,1|3,0,0]=4 790 B13R1.149 CC(=O)CCSc1ccnc(n1)C 62a_100000749937_100000053229 [0,0,0,0,0,1|3,0,0]=4 791 B13R1.149 CC(=O)COCc1ccnc(c1)C 34a_100000211253_200020672517 [0,0,0,0,0,1|3,0,0]=4 792 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [0,0,0,0,0,1|3,0,0]=4 793 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [0,0,0,0,0,1|3,0,0]=4 794 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [0,0,0,0,0,1|3,0,0]=4 795 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [0,0,0,0,0,1|3,0,0]=4 796 B13R1.149 CC(=O)NCCc1cccc(n1)C 11a_100011824523_100015343762 [0,0,0,0,0,1|3,0,0]=4 797 B13R1.149 CC(=O)NCCc1cccc(n1)C 1626a_100011824523_100015343762 [0,0,0,0,0,1|3,0,0]=4 798 B13R1.149 CC(=O)NCCc1cccc(n1)C 240690a_100011824523_100015343762 [0,0,0,0,0,1|3,0,0]=4 799 B13R1.149 CC(=O)NCCc1cccc(n1)C 527a_100011824523_100103153847 [0,0,0,0,0,1|3,0,0]=4 800 B13R1.149 CC(=O)OCNc1cccc(c1)C 34a_100000188690_100009813279 [0,0,0,0,0,1|3,0,0]=4 801 B13R1.149 CC(=O)OCOc1cccc(c1)C 34a_100000210337_100009813279 [0,0,0,0,0,1|3,0,0]=4 802 B13R1.149 CC(=O)OCOc1ccnc(c1)C 34a_100000688365_100009813279 [0,0,0,0,0,1|2,0,0]=3 803 B13R1.149 CC(=O)OCOc1ccnc(c1)Cl 34a_100000762945_100009813279 [0,0,0,0,0,1|3,0,0]=4 804 B13R1.149 CC(=O)OCOc1ccnc(c1)F 34a_100000732698_100009813279 [0,0,0,0,0,1|3,0,0]=4 805 B13R1.149 CC(=O)OCOc1ccnc(c1)N 34a_100011834064_100009813279 [0,0,0,0,0,1|3,0,0]=4 806 B13R1.149 CC(=O)OCSc1cc(ccn1)C 62a_100000076356_100000750283 [0,0,0,0,0,1|3,0,0]=4 807 B13R1.149 CC(=O)OCSc1cc(ccn1)C 62a_100000750283_100000076356 [0,0,0,0,0,1|3,0,0]=4 808 B13R1.149 CC(=O)OCSc1cc(ncn1)C 62a_100000076356_100000744208 [0,0,0,0,0,1|2,0,0]=3 809 B13R1.149 CC(=O)OCSc1cc(ncn1)C 62a_100000744208_100000076356 [0,0,0,0,0,1|2,0,0]=3 810 B13R1.149 CC(=O)OCSc1cc(ncn1)Cl 62a_100000076356_100010161198 [0,0,0,0,0,1|3,0,0]=4 811 B13R1.149 CC(=O)OCSc1cc(ncn1)Cl 62a_100010161198_100000076356 [0,0,0,0,0,1|3,0,0]=4 812 B13R1.149 CC(=O)OCSc1cc(ncn1)F 62a_100000076356_200009880791 [0,0,0,0,0,1|3,0,0]=4 813 B13R1.149 CC(=O)OCSc1cc(ncn1)F 62a_200009880791_100000076356 [0,0,0,0,0,1|3,0,0]=4 814 B13R1.149 CC(=O)OCSc1cc(ncn1)N 62a_100000076356_100000701291 [0,0,0,0,0,1|3,0,0]=4 815 B13R1.149 CC(=O)OCSc1cc(ncn1)N 62a_100000701291_100000076356 [0,0,0,0,0,1|3,0,0]=4 816 B13R1.149 CC(=O)OCSc1cc(ncn1)O 62a_100000076356_100000765262 [0,0,0,0,0,1|3,0,0]=4 817 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100000076356_100011215228 [0,0,0,0,0,1|3,0,0]=4 818 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100011215228_100000076356 [0,0,0,0,0,1|3,0,0]=4 819 B13R1.149 CC(=O)OCSc1cccc(n1)C 62a_100000076356_100000742759 [0,0,0,0,0,1|3,0,0]=4 820 B13R1.149 CC(=O)OCSc1cccc(n1)C 62a_100000742759_100000076356 [0,0,0,0,0,1|3,0,0]=4 821 B13R1.149 CC(=O)OCSc1ccnc(c1)Br 62a_100000076356_100009814637 [0,0,0,0,0,1|3,0,0]=4 822 B13R1.149 CC(=O)OCSc1ccnc(c1)Br 62a_100009814637_100000076356 [0,0,0,0,0,1|3,0,0]=4 823 B13R1.149 CC(=O)OCSc1ccnc(c1)C 62a_100000076356_100000758586 [0,0,0,0,0,1|2,0,0]=3 824 B13R1.149 CC(=O)OCSc1ccnc(c1)C 62a_100000758586_100000076356 [0,0,0,0,0,1|2,0,0]=3 825 B13R1.149 CC(=O)OCSc1ccnc(c1)Cl 62a_100000035001_100000076356 [0,0,0,0,0,1|3,0,0]=4 826 B13R1.149 CC(=O)OCSc1ccnc(c1)Cl 62a_100000076356_100000035001 [0,0,0,0,0,1|3,0,0]=4 827 B13R1.149 CC(=O)OCSc1ccnc(c1)F 62a_100000076356_100009816116 [0,0,0,0,0,1|3,0,0]=4 828 B13R1.149 CC(=O)OCSc1ccnc(c1)F 62a_100009816116_100000076356 [0,0,0,0,0,1|3,0,0]=4 829 B13R1.149 CC(=O)OCSc1ccnc(c1)N 62a_100000049665_100000076356 [0,0,0,0,0,1|3,0,0]=4 830 B13R1.149 CC(=O)OCSc1ccnc(c1)N 62a_100000076356_100000049665 [0,0,0,0,0,1|3,0,0]=4 831 B13R1.149 CC(=O)OCSc1ccnc(n1)C 62a_100000076356_100000749937 [0,0,0,0,0,1|2,0,0]=3 832 B13R1.149 CC(=O)OCSc1ccnc(n1)C 62a_100000749937_100000076356 [0,0,0,0,0,1|2,0,0]=3 833 B13R1.149 CC(=O)OCSc1ccnc(n1)Cl 62a_100000076356_100010154678 [0,0,0,0,0,1|3,0,0]=4 834 B13R1.149 CC(=O)OCSc1ccnc(n1)Cl 62a_100010154678_100000076356 [0,0,0,0,0,1|3,0,0]=4 835 B13R1.149 CC(=O)OCSc1ccnc(n1)N 62a_100000055538_100000076356 [0,0,0,0,0,1|3,0,0]=4 836 B13R1.149 CC(=O)OCSc1ccnc(n1)N 62a_100000076356_100000055538 [0,0,0,0,0,1|3,0,0]=4 837 B13R1.149 CC(=O)OCSc1nccc(n1)C 62a_100000076356_100011243806 [0,0,0,0,0,1|3,0,0]=4 838 B13R1.149 CC(=O)OCSc1nccc(n1)C 62a_100011243806_100000076356 [0,0,0,0,0,1|3,0,0]=4 839 B13R1.149 CC(=O)OCSc1ncnc(n1)N 62a_100000076356_100000123831 [0,0,0,0,0,1|3,0,0]=4 840 B13R1.149 CC(=O)OCSc1ncnc(n1)N 62a_100000123831_100000076356 [0,0,0,0,0,1|3,0,0]=4 841 B13R1.158 CC(=O)CCOc1cccnc1C 7a_100000745507_100000053229 [0,0,0,0,0,1|3,0,0]=4 842 B13R1.158 CC(=O)CCSc1cccnc1C 62a_100000053229_100000751574 [0,0,0,0,0,1|3,0,0]=4 843 B13R1.158 CC(=O)CCSc1cccnc1C 62a_100000751574_100000053229 [0,0,0,0,0,1|3,0,0]=4 844 B13R1.158 CC(=O)CCSc1ccncc1C 62a_100000053229_100000765111 [0,0,0,0,0,1|3,0,0]=4 845 B13R1.158 CC(=O)CCSc1ccncc1C 62a_100000765111_100000053229 [0,0,0,0,0,1|3,0,0]=4 846 B13R1.158 CC(=O)CCSc1cncnc1C 62a_100000053229_100009819671 [0,0,0,0,0,1|3,0,0]=4 847 B13R1.158 CC(=O)CCSc1cncnc1C 62a_100009819671_100000053229 [0,0,0,0,0,1|3,0,0]=4 848 B13R1.158 CC(=O)CCSc1nccnc1C 62a_100000053229_100011999405 [0,0,0,0,0,1|3,0,0]=4 849 B13R1.158 CC(=O)CCSc1nccnc1C 62a_100011999405_100000053229 [0,0,0,0,0,1|3,0,0]=4 850 B13R1.158 CC(=O)CCSc1ncncc1C 62a_100000053229_100011998708 [0,0,0,0,0,1|3,0,0]=4 851 B13R1.158 CC(=O)CCSc1ncncc1C 62a_100011998708_100000053229 [0,0,0,0,0,1|3,0,0]=4 852 B13R1.158 CC(=O)COCc1cccnc1C 34a_100000211253_100000732876 [0,0,0,0,0,1|3,0,0]=4 853 B13R1.158 CC(=O)COCc1ccncc1C 34a_100000211253_100020672809 [0,0,0,0,0,1|3,0,0]=4 854 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [0,0,0,0,0,1|3,0,0]=4 855 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [0,0,0,0,0,1|3,0,0]=4 856 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [0,0,0,0,0,1|3,0,0]=4 857 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [0,0,0,0,0,1|3,0,0]=4 858 B13R1.158 CC(=O)OCNc1ccccc1C 34a_100015192222_100009813279 [0,0,0,0,0,1|3,0,0]=4 859 B13R1.158 CC(=O)OCOc1ccccc1C 34a_100000210338_100009813279 [0,0,0,0,0,1|3,0,0]=4 860 B13R1.158 CC(=O)OCOc1cccnc1Br 34a_100000744436_100009813279 [0,0,0,0,0,1|3,0,0]=4 861 B13R1.158 CC(=O)OCOc1cccnc1C 34a_100000745507_100009813279 [0,0,0,0,0,1|2,0,0]=3 862 B13R1.158 CC(=O)OCOc1cccnc1Cl 34a_100000757616_100009813279 [0,0,0,0,0,1|3,0,0]=4 863 B13R1.158 CC(=O)OCOc1cccnc1F 34a_100000061740_100009813279 [0,0,0,0,0,1|3,0,0]=4 864 B13R1.158 CC(=O)OCOc1cccnc1I 34a_100000034122_100009813279 [0,0,0,0,0,1|3,0,0]=4 865 B13R1.158 CC(=O)OCOc1cccnc1N 34a_100000211975_100009813279 [0,0,0,0,0,1|3,0,0]=4 866 B13R1.158 CC(=O)OCOc1ccncc1Br 34a_100011996408_100009813279 [0,0,0,0,0,1|3,0,0]=4 867 B13R1.158 CC(=O)OCOc1ccncc1C 34a_100000694293_100009813279 [0,0,0,0,0,1|2,0,0]=3 868 B13R1.158 CC(=O)OCOc1ccncc1Cl 34a_100011997054_100009813279 [0,0,0,0,0,1|3,0,0]=4 869 B13R1.158 CC(=O)OCOc1ccncc1F 34a_200000081243_100009813279 [0,0,0,0,0,1|3,0,0]=4 870 B13R1.158 CC(=O)OCOc1cnccc1C 34a_100011997053_100009813279 [0,0,0,0,0,1|3,0,0]=4 871 B13R1.158 CC(=O)OCOc1nccnc1C 34a_100000766352_100009813279 [0,0,0,0,0,1|2,0,0]=3 872 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000076356_100000210755 [0,0,0,0,0,1|3,0,0]=4 873 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000210755_100000076356 [0,0,0,0,0,1|3,0,0]=4 874 B13R1.158 CC(=O)OCSc1cccnc1Br 62a_100000076356_100010202626 [0,0,0,0,0,1|3,0,0]=4 875 B13R1.158 CC(=O)OCSc1cccnc1Br 62a_100010202626_100000076356 [0,0,0,0,0,1|3,0,0]=4 876 B13R1.158 CC(=O)OCSc1cccnc1C 62a_100000076356_100000751574 [0,0,0,0,0,1|2,0,0]=3 877 B13R1.158 CC(=O)OCSc1cccnc1C 62a_100000751574_100000076356 [0,0,0,0,0,1|2,0,0]=3 878 B13R1.158 CC(=O)OCSc1cccnc1Cl 62a_100000036424_100000076356 [0,0,0,0,0,1|3,0,0]=4 879 B13R1.158 CC(=O)OCSc1cccnc1Cl 62a_100000076356_100000036424 [0,0,0,0,0,1|3,0,0]=4 880 B13R1.158 CC(=O)OCSc1cccnc1F 62a_100000076356_100009816115 [0,0,0,0,0,1|3,0,0]=4 881 B13R1.158 CC(=O)OCSc1cccnc1F 62a_100009816115_100000076356 [0,0,0,0,0,1|3,0,0]=4 882 B13R1.158 CC(=O)OCSc1cccnc1N 62a_100000045569_100000076356 [0,0,0,0,0,1|3,0,0]=4 883 B13R1.158 CC(=O)OCSc1cccnc1N 62a_100000076356_100000045569 [0,0,0,0,0,1|3,0,0]=4 884 B13R1.158 CC(=O)OCSc1cccnc1O 62a_100000076356_100000760158 [0,0,0,0,0,1|3,0,0]=4 885 B13R1.158 CC(=O)OCSc1cccnc1O 62a_100000760158_100000076356 [0,0,0,0,0,1|3,0,0]=4 886 B13R1.158 CC(=O)OCSc1ccn[nH]c1=O 62a_100000076356_100000087129 [0,0,0,0,0,1|3,0,0]=4 887 B13R1.158 CC(=O)OCSc1ccncc1Br 62a_100000076356_100000726257 [0,0,0,0,0,1|3,0,0]=4 888 B13R1.158 CC(=O)OCSc1ccncc1Br 62a_100000726257_100000076356 [0,0,0,0,0,1|3,0,0]=4 889 B13R1.158 CC(=O)OCSc1ccncc1C 62a_100000076356_100000765111 [0,0,0,0,0,1|2,0,0]=3 890 B13R1.158 CC(=O)OCSc1ccncc1C 62a_100000765111_100000076356 [0,0,0,0,0,1|2,0,0]=3 891 B13R1.158 CC(=O)OCSc1ccncc1Cl 62a_100000076356_100000708259 [0,0,0,0,0,1|3,0,0]=4 892 B13R1.158 CC(=O)OCSc1ccncc1Cl 62a_100000708259_100000076356 [0,0,0,0,0,1|3,0,0]=4 893 B13R1.158 CC(=O)OCSc1ccncc1F 62a_100000047030_100000076356 [0,0,0,0,0,1|3,0,0]=4 894 B13R1.158 CC(=O)OCSc1ccncc1F 62a_100000076356_100000047030 [0,0,0,0,0,1|3,0,0]=4 895 B13R1.158 CC(=O)OCSc1ccncc1N 62a_100000076356_100000756074 [0,0,0,0,0,1|3,0,0]=4 896 B13R1.158 CC(=O)OCSc1ccncc1N 62a_100000756074_100000076356 [0,0,0,0,0,1|3,0,0]=4 897 B13R1.158 CC(=O)OCSc1ccncc1O 62a_100000076356_100009817591 [0,0,0,0,0,1|3,0,0]=4 898 B13R1.158 CC(=O)OCSc1ccncc1O 62a_100009817591_100000076356 [0,0,0,0,0,1|3,0,0]=4 899 B13R1.158 CC(=O)OCSc1cnccc1C 62a_100000076356_100000761580 [0,0,0,0,0,1|3,0,0]=4 900 B13R1.158 CC(=O)OCSc1cnccc1C 62a_100000761580_100000076356 [0,0,0,0,0,1|3,0,0]=4 901 B13R1.158 CC(=O)OCSc1cncnc1Br 62a_100000076356_200012461658 [0,0,0,0,0,1|3,0,0]=4 902 B13R1.158 CC(=O)OCSc1cncnc1Br 62a_200012461658_100000076356 [0,0,0,0,0,1|3,0,0]=4 903 B13R1.158 CC(=O)OCSc1cncnc1C 62a_100000076356_100009819671 [0,0,0,0,0,1|2,0,0]=3 904 B13R1.158 CC(=O)OCSc1cncnc1C 62a_100009819671_100000076356 [0,0,0,0,0,1|2,0,0]=3 905 B13R1.158 CC(=O)OCSc1cncnc1Cl 62a_100000076356_100000758962 [0,0,0,0,0,1|3,0,0]=4 906 B13R1.158 CC(=O)OCSc1cncnc1Cl 62a_100000758962_100000076356 [0,0,0,0,0,1|3,0,0]=4 907 B13R1.158 CC(=O)OCSc1cncnc1N 62a_100000076356_100011996079 [0,0,0,0,0,1|3,0,0]=4 908 B13R1.158 CC(=O)OCSc1cncnc1N 62a_100011996079_100000076356 [0,0,0,0,0,1|3,0,0]=4 909 B13R1.158 CC(=O)OCSc1cncnc1O 62a_100000076356_100000751107 [0,0,0,0,0,1|3,0,0]=4 910 B13R1.158 CC(=O)OCSc1cncnc1O 62a_100000751107_100000076356 [0,0,0,0,0,1|3,0,0]=4 911 B13R1.158 CC(=O)OCSc1ncccc1C 62a_100000076356_100000751373 [0,0,0,0,0,1|3,0,0]=4 912 B13R1.158 CC(=O)OCSc1ncccc1C 62a_100000751373_100000076356 [0,0,0,0,0,1|3,0,0]=4 913 B13R1.158 CC(=O)OCSc1nccnc1C 62a_100000076356_100011999405 [0,0,0,0,0,1|2,0,0]=3 914 B13R1.158 CC(=O)OCSc1nccnc1C 62a_100011999405_100000076356 [0,0,0,0,0,1|2,0,0]=3 915 B13R1.158 CC(=O)OCSc1nccnc1Cl 62a_100000076356_100010886584 [0,0,0,0,0,1|3,0,0]=4 916 B13R1.158 CC(=O)OCSc1nccnc1Cl 62a_100010886584_100000076356 [0,0,0,0,0,1|3,0,0]=4 917 B13R1.158 CC(=O)OCSc1nccnc1F 62a_100000076356_200010125657 [0,0,0,0,0,1|3,0,0]=4 918 B13R1.158 CC(=O)OCSc1nccnc1F 62a_200010125657_100000076356 [0,0,0,0,0,1|3,0,0]=4 919 B13R1.158 CC(=O)OCSc1nccnc1N 62a_100000076356_100000747729 [0,0,0,0,0,1|3,0,0]=4 920 B13R1.158 CC(=O)OCSc1nccnc1N 62a_100000747729_100000076356 [0,0,0,0,0,1|3,0,0]=4 921 B13R1.158 CC(=O)OCSc1ncncc1C 62a_100000076356_100011998708 [0,0,0,0,0,1|2,0,0]=3 922 B13R1.158 CC(=O)OCSc1ncncc1C 62a_100011998708_100000076356 [0,0,0,0,0,1|2,0,0]=3 923 B13R1.158 CC(=O)OCSc1ncncc1F 62a_100000069762_100000076356 [0,0,0,0,0,1|3,0,0]=4 924 B13R1.158 CC(=O)OCSc1ncncc1F 62a_100000076356_100000069762 [0,0,0,0,0,1|3,0,0]=4 925 B13R1.158 CC(=O)OCSc1ncncc1N 62a_100000076356_100000709731 [0,0,0,0,0,1|3,0,0]=4 926 B13R1.158 CC(=O)OCSc1ncncc1N 62a_100000709731_100000076356 [0,0,0,0,0,1|3,0,0]=4 927 B13R1.158 CC(=O)OCSc1nnccc1C 62a_100000076356_100000089043 [0,0,0,0,0,1|3,0,0]=4 928 B13R1.167 C=C(C)CCNCc1sccc1C 2230a_100000238519_100000730704 [0,0,0,0,0,1|3,0,0]=4 929 B13R1.167 C=C(C)CCNCc1sccc1C 34a_100000238519_100000730704 [0,0,0,0,0,1|3,0,0]=4 930 B13R1.167 C=C(C)CCNCc1scnc1C 2230a_100000752186_100000730704 [0,0,0,0,0,1|2,0,0]=3 931 B13R1.167 C=C(C)CCNCc1snnc1C 2230a_100000732738_100000730704 [0,0,0,0,0,1|3,0,0]=4 932 B13R1.167 C=C(C)CCOCc1ocnc1C 34a_100000717716_100000730704 [0,0,0,0,0,1|2,1,0]=4 933 B13R1.167 C=C(C)CCOCc1ocnc1C 7a_100000717716_100000730704 [0,0,0,0,0,1|2,1,0]=4 934 B13R1.167 C=C(C)CCOCc1sccc1C 34a_100000238368_100000730704 [0,0,0,0,0,1|3,0,0]=4 935 B13R1.167 C=C(C)CCOCc1sccc1C 7a_100000238368_100000730704 [0,0,0,0,0,1|3,0,0]=4 936 B13R1.167 C=C(C)CCOCc1scnc1Br 7a_100012000948_100000730704 [0,0,0,0,0,1|3,0,0]=4 937 B13R1.167 C=C(C)CCOCc1scnc1C 34a_100000750112_100000730704 [0,0,0,0,0,1|2,0,0]=3 938 B13R1.167 C=C(C)CCOCc1scnc1C 7a_100000750112_100000730704 [0,0,0,0,0,1|2,0,0]=3 939 B13R1.167 C=C(C)CCOCc1snnc1C 34a_100000764851_100000732739 [0,0,0,0,0,1|3,0,0]=4 940 B13R1.167 C=C(C)CCSCc1snnc1C 62a_100000730704_100000732739 [0,0,0,0,0,1|3,0,0]=4 941 B13R1.167 C=C(C)CCSCc1snnc1C 62a_100000732739_100000730704 [0,0,0,0,0,1|3,0,0]=4 942 B13R1.167 C=C(C)CNCCc1scnc1C 2230a_100000238517_100000748629 [0,0,0,0,0,1|2,0,0]=3 943 B13R1.167 C=C(C)CNCCc1scnc1C 34a_100000238517_100000748629 [0,0,0,0,0,1|2,0,0]=3 944 B13R1.167 C=C(C)COCCc1scnc1C 34a_100000210245_100000057103 [0,0,0,0,0,1|1,0,0]=2 945 B13R1.167 C=C(C)COCCc1scnc1C 34a_100000211055_100000748629 [0,0,0,0,0,1|1,0,0]=2 946 B13R1.167 C=C(C)COCCc1scnc1C 7a_100000211055_100000748629 [0,0,0,0,0,1|1,0,0]=2 947 B13R1.167 C=C(C)COCCn1ccnc1C 34a_100000702865_100000748629 [0,0,0,0,0,1|3,0,0]=4 948 B13R1.167 C=C(C)COCCn1ccnc1C 7a_100000702865_100000748629 [0,0,0,0,0,1|3,0,0]=4 949 B13R1.167 C=C(C)CSCCc1scnc1C 62a_100000057103_100000211660 [0,0,0,0,0,1|1,1,0]=3 950 B13R1.167 C=C(C)CSCCc1scnc1C 62a_100000748629_100000057103 [0,0,0,0,0,1|1,1,0]=3 951 B13R1.167 C=C(F)CNCCc1scnc1C 2230a_100000238517_100009893438 [0,0,0,0,0,1|2,0,1]=4 952 B13R1.167 C=C(F)CNCCc1scnc1C 34a_100000238517_100009893438 [0,0,0,0,0,1|2,0,1]=4 953 B13R1.167 C=C(F)COCCc1scnc1C 34a_100000211055_100009893438 [0,0,0,0,0,1|1,0,1]=3 954 B13R1.167 C=C(F)COCCc1scnc1C 34a_200010262243_100000057103 [0,0,0,0,0,1|1,0,1]=3 955 B13R1.167 C=C(F)COCCc1scnc1C 7a_100000211055_100000042424 [0,0,0,0,0,1|1,0,1]=3 956 B13R1.167 C=C(F)CSCCc1scnc1C 62a_100000042424_100000057103 [0,0,0,0,0,1|1,1,1]=4 957 B13R1.167 C=C(F)CSCCc1scnc1C 62a_100000057103_100000042424 [0,0,0,0,0,1|1,1,1]=4 958 B13R1.167 CC(=CCCSc1sccc1C)C 62a_100010247149_100011217483 [0,0,0,0,0,1|3,0,0]=4 959 B13R1.167 CC(=CCCSc1sccc1C)C 62a_100011217483_100010247149 [0,0,0,0,0,1|3,0,0]=4 960 B13R1.167 CC(=CCCSc1scnc1C)C 62a_100009817116_100011217483 [0,0,0,0,0,1|2,0,0]=3 961 B13R1.167 CC(=CCCSc1scnc1C)C 62a_100011217483_100009817116 [0,0,0,0,0,1|2,0,0]=3 962 B13R1.167 CC(=CCNCc1sccc1C)C 2230a_100000238519_100000761012 [0,0,0,0,0,1|3,0,0]=4 963 B13R1.167 CC(=CCNCc1sccc1C)C 270004a_100000718196_100000210881 [0,0,0,0,0,1|3,0,0]=4 964 B13R1.167 CC(=CCNCc1sccc1C)C 34a_100000238519_100000761012 [0,0,0,0,0,1|3,0,0]=4 965 B13R1.167 CC(=CCNCc1scnc1C)C 2230a_100000752186_100000761012 [0,0,0,0,0,1|2,0,0]=3 966 B13R1.167 CC(=CCNCc1snnc1C)C 2230a_100000732738_100000761012 [0,0,0,0,0,1|3,0,0]=4 967 B13R1.167 CC(=CCNCc1snnc1C)C 270004a_100000718196_100000732746 [0,0,0,0,0,1|3,0,0]=4 968 B13R1.167 CC(=CCNCc1snnc1C)C 34a_100000718196_100000732739 [0,0,0,0,0,1|3,0,0]=4 969 B13R1.167 CC(=CCOCc1ocnc1C)C 34a_100000717716_100000761012 [0,0,0,0,0,1|2,1,0]=4 970 B13R1.167 CC(=CCOCc1ocnc1C)C 7a_100000717716_100000761012 [0,0,0,0,0,1|2,1,0]=4 971 B13R1.167 CC(=CCOCc1sccc1C)C 34a_100000238368_100000761012 [0,0,0,0,0,1|3,0,0]=4 972 B13R1.167 CC(=CCOCc1sccc1C)C 7a_100000238368_100000761012 [0,0,0,0,0,1|3,0,0]=4 973 B13R1.167 CC(=CCOCc1scnc1Br)C 7a_100012000948_100000761012 [0,0,0,0,0,1|3,0,0]=4 974 B13R1.167 CC(=CCOCc1scnc1C)C 34a_100000750112_100000761012 [0,0,0,0,0,1|2,0,0]=3 975 B13R1.167 CC(=CCOCc1scnc1C)C 7a_100000750112_100000761012 [0,0,0,0,0,1|2,0,0]=3 976 B13R1.167 CC(=CCOCc1snnc1C)C 34a_100000753907_100000732739 [0,0,0,0,0,1|3,0,0]=4 977 B13R1.167 CC(=CCSCc1snnc1C)C 62a_100000732739_100000761012 [0,0,0,0,0,1|3,0,0]=4 978 B13R1.167 CC(=CCSCc1snnc1C)C 62a_100000761012_100000732739 [0,0,0,0,0,1|3,0,0]=4 979 B13R1.167 CC(=O)CCCOc1ccnn1C 34a_100020632926_100000685027 [0,0,0,0,0,1|3,0,0]=4 980 B13R1.167 CC(=O)CCCSc1[nH]cnc1Cl 62a_100010200774_100011215641 [0,0,0,0,0,1|3,0,0]=4 981 B13R1.167 CC(=O)CCCSc1[nH]cnc1Cl 62a_100011215641_100010200774 [0,0,0,0,0,1|3,0,0]=4 982 B13R1.167 CC(=O)CCCSc1c[nH]nc1C 62a_100000692133_100011215641 [0,0,0,0,0,1|3,0,0]=4 983 B13R1.167 CC(=O)CCCSc1c[nH]nc1C 62a_100011215641_100000692133 [0,0,0,0,0,1|3,0,0]=4 984 B13R1.167 CC(=O)CCCSc1ccnn1C 62a_100000688441_100011215641 [0,0,0,0,0,1|3,0,0]=4 985 B13R1.167 CC(=O)CCCSc1ccnn1C 62a_100011215641_100000688441 [0,0,0,0,0,1|3,0,0]=4 986 B13R1.167 CC(=O)CCCSc1ccsc1C 62a_100000684487_100011215641 [0,0,0,0,0,1|3,0,0]=4 987 B13R1.167 CC(=O)CCCSc1ccsc1C 62a_100011215641_100000684487 [0,0,0,0,0,1|3,0,0]=4 988 B13R1.167 CC(=O)CCCSc1nc[nH]c1C 62a_100010186451_100011215641 [0,0,0,0,0,1|2,0,1]=4 989 B13R1.167 CC(=O)CCCSc1nc[nH]c1C 62a_100011215641_100010186451 [0,0,0,0,0,1|2,0,1]=4 990 B13R1.167 CC(=O)CCCSc1ncnn1C 62a_100000732653_100011215641 [0,0,0,0,0,1|3,0,0]=4 991 B13R1.167 CC(=O)CCCSc1ncnn1C 62a_100011215641_100000732653 [0,0,0,0,0,1|3,0,0]=4 992 B13R1.167 CC(=O)CCCSc1ncsc1C 62a_100000732656_100011215641 [0,0,0,0,0,1|3,0,0]=4 993 B13R1.167 CC(=O)CCCSc1ncsc1C 62a_100011215641_100000732656 [0,0,0,0,0,1|3,0,0]=4 994 B13R1.167 CC(=O)CCCSc1sccc1Br 62a_100011215641_100012361411 [0,0,0,0,0,1|3,0,0]=4 995 B13R1.167 CC(=O)CCCSc1sccc1Br 62a_100012361411_100011215641 [0,0,0,0,0,1|3,0,0]=4 996 B13R1.167 CC(=O)CCCSc1sccc1C 62a_100010247149_100011215641 [0,0,0,0,0,1|2,0,0]=3 997 B13R1.167 CC(=O)CCCSc1sccc1C 62a_100011215641_100010247149 [0,0,0,0,0,1|2,0,0]=3 998 B13R1.167 CC(=O)CCCSc1scnc1C 62a_100009817116_100011215641 [0,0,0,0,0,1|1,0,0]=2 999 B13R1.167 CC(=O)CCCSc1scnc1C 62a_100011215641_100009817116 [0,0,0,0,0,1|1,0,0]=2 1000 B13R1.167 CC(=O)CCOCc1ccnn1C 34a_100000759926_100000691648 [0,0,0,0,0,1|3,0,0]=4 1001 B13R1.167 CC(=O)CCOCc1ccnn1C 7a_100000759926_100000691648 [0,0,0,0,0,1|3,0,0]=4 1002 B13R1.167 CC(=O)CCOCc1ccoc1C 7a_100011219433_100000053229 [0,0,0,0,0,1|3,0,0]=4 1003 B13R1.167 CC(=O)CCOCc1ncnn1C 7a_100000688323_100000053229 [0,0,0,0,0,1|3,0,0]=4 1004 B13R1.167 CC(=O)CCOCc1ncoc1C 34a_100000759926_200000693990 [0,0,0,0,0,1|3,0,0]=4 1005 B13R1.167 CC(=O)CCOCc1ncoc1C 7a_100000759926_200000693990 [0,0,0,0,0,1|3,0,0]=4 1006 B13R1.167 CC(=O)CCOCc1nonc1C 34a_100000759926_200000044682 [0,0,0,0,0,1|3,0,0]=4 1007 B13R1.167 CC(=O)CCOCc1nonc1C 7a_100000759926_200000044682 [0,0,0,0,0,1|3,0,0]=4 1008 B13R1.167 CC(=O)CCOCc1occc1C 7a_100011273948_100000053229 [0,0,0,0,0,1|2,1,0]=4 1009 B13R1.167 CC(=O)CCOCc1ocnc1C 7a_100000717716_100000053229 [0,0,0,0,0,1|1,1,0]=3 1010 B13R1.167 CC(=O)CCOCc1sccc1C 7a_100000238368_100000053229 [0,0,0,0,0,1|2,0,0]=3 1011 B13R1.167 CC(=O)CCOCc1sccc1Cl 7a_100000722387_100000053229 [0,0,0,0,0,1|3,0,0]=4 1012 B13R1.167 CC(=O)CCOCc1scnc1Br 7a_100012000948_100000053229 [0,0,0,0,0,1|2,0,0]=3 1013 B13R1.167 CC(=O)CCOCc1scnc1C 7a_100000750112_100000053229 [0,0,0,0,0,1|1,0,0]=2 1014 B13R1.167 CC(=O)CCOCc1snnc1C 34a_100000759926_100000732739 [0,0,0,0,0,1|2,0,0]=3 1015 B13R1.167 CC(=O)CCOCc1snnc1C 7a_100000759926_100000732739 [0,0,0,0,0,1|2,0,0]=3 1016 B13R1.167 CC(=O)CCSCc1ccnn1C 62a_100000053229_100000691648 [0,0,0,0,0,1|3,0,0]=4 1017 B13R1.167 CC(=O)CCSCc1ccnn1C 62a_100000691648_100000053229 [0,0,0,0,0,1|3,0,0]=4 1018 B13R1.167 CC(=O)CCSCc1nc[nH]c1C 62a_100000053229_100000751220 [0,0,0,0,0,1|2,0,1]=4 1019 B13R1.167 CC(=O)CCSCc1nc[nH]c1C 62a_100000751220_100000053229 [0,0,0,0,0,1|2,0,1]=4 1020 B13R1.167 CC(=O)CCSCc1ncoc1C 62a_100000053229_200000693990 [0,0,0,0,0,1|3,0,0]=4 1021 B13R1.167 CC(=O)CCSCc1ncoc1C 62a_200000693990_100000053229 [0,0,0,0,0,1|3,0,0]=4 1022 B13R1.167 CC(=O)CCSCc1nonc1C 62a_100000053229_200000044682 [0,0,0,0,0,1|3,0,0]=4 1023 B13R1.167 CC(=O)CCSCc1nonc1C 62a_200000044682_100000053229 [0,0,0,0,0,1|3,0,0]=4 1024 B13R1.167 CC(=O)CCSCc1snnc1C 62a_100000053229_100000732739 [0,0,0,0,0,1|2,0,0]=3 1025 B13R1.167 CC(=O)CCSCc1snnc1C 62a_100000732739_100000053229 [0,0,0,0,0,1|2,0,0]=3 1026 B13R1.167 CC(=O)COCCc1scnc1C 34a_100000211253_100000057103 [0,0,0,0,0,1|0,0,0]=1 1027 B13R1.167 CC(=O)NCCCn1ccnc1C 240690a_100000728124_100015343762 [0,0,0,0,0,1|3,0,0]=4 1028 B13R1.167 CC(=O)NCCCn1ccnc1C 527a_100000728124_100103153847 [0,0,0,0,0,1|3,0,0]=4 1029 B13R1.167 CC(=O)NCCNc1ncnn1C 27a_100000209853_100000732653 [0,0,0,0,0,1|3,0,0]=4 1030 B13R1.167 CC(=O)NCCSc1[nH]cnc1Cl 62a_100000189650_100010200774 [0,0,0,0,0,1|3,0,0]=4 1031 B13R1.167 CC(=O)NCCSc1[nH]cnc1Cl 62a_100010200774_100000189650 [0,0,0,0,0,1|3,0,0]=4 1032 B13R1.167 CC(=O)NCCSc1c[nH]nc1C 62a_100000189650_100000692133 [0,0,0,0,0,1|3,0,0]=4 1033 B13R1.167 CC(=O)NCCSc1c[nH]nc1C 62a_100000692133_100000189650 [0,0,0,0,0,1|3,0,0]=4 1034 B13R1.167 CC(=O)NCCSc1ccnn1C 62a_100000189650_100000688441 [0,0,0,0,0,1|3,0,0]=4 1035 B13R1.167 CC(=O)NCCSc1ccnn1C 62a_100000688441_100000189650 [0,0,0,0,0,1|3,0,0]=4 1036 B13R1.167 CC(=O)NCCSc1ccsc1C 62a_100000189650_100000684487 [0,0,0,0,0,1|3,0,0]=4 1037 B13R1.167 CC(=O)NCCSc1ccsc1C 62a_100000684487_100000189650 [0,0,0,0,0,1|3,0,0]=4 1038 B13R1.167 CC(=O)NCCSc1nc[nH]c1C 62a_100000189650_100010186451 [0,0,0,0,0,1|2,0,1]=4 1039 B13R1.167 CC(=O)NCCSc1nc[nH]c1C 62a_100010186451_100000189650 [0,0,0,0,0,1|2,0,1]=4 1040 B13R1.167 CC(=O)NCCSc1ncnn1C 62a_100000189650_100000732653 [0,0,0,0,0,1|3,0,0]=4 1041 B13R1.167 CC(=O)NCCSc1ncnn1C 62a_100000732653_100000189650 [0,0,0,0,0,1|3,0,0]=4 1042 B13R1.167 CC(=O)NCCSc1ncsc1C 62a_100000189650_100000732656 [0,0,0,0,0,1|3,0,0]=4 1043 B13R1.167 CC(=O)NCCSc1ncsc1C 62a_100000732656_100000189650 [0,0,0,0,0,1|3,0,0]=4 1044 B13R1.167 CC(=O)NCCSc1sccc1Br 62a_100000189650_100012361411 [0,0,0,0,0,1|3,0,0]=4 1045 B13R1.167 CC(=O)NCCSc1sccc1Br 62a_100012361411_100000189650 [0,0,0,0,0,1|3,0,0]=4 1046 B13R1.167 CC(=O)NCCSc1sccc1C 62a_100000189650_100010247149 [0,0,0,0,0,1|2,0,0]=3 1047 B13R1.167 CC(=O)NCCSc1sccc1C 62a_100010247149_100000189650 [0,0,0,0,0,1|2,0,0]=3 1048 B13R1.167 CC(=O)NCCSc1scnc1C 62a_100000189650_100009817116 [0,0,0,0,0,1|1,0,0]=2 1049 B13R1.167 CC(=O)NCCSc1scnc1C 62a_100009817116_100000189650 [0,0,0,0,0,1|1,0,0]=2 1050 B13R1.167 CC(=O)OCC=Cc1[nH]cnc1Cl 271570a_200000047263_100010200774 [0,0,0,0,0,1|2,0,1]=4 1051 B13R1.167 CC(=O)OCC=Cc1c[nH]nc1C 271570a_200000047263_100011912673 [0,0,0,0,0,1|2,0,1]=4 1052 B13R1.167 CC(=O)OCC=Cc1ccnn1C 271570a_200000047263_100000688441 [0,0,0,0,0,1|2,0,1]=4 1053 B13R1.167 CC(=O)OCC=Cc1ccsc1C 271570a_200000047263_100000684487 [0,0,0,0,0,1|2,0,1]=4 1054 B13R1.167 CC(=O)OCC=Cc1nc[nH]c1C 271570a_200000047263_100009816806 [0,0,0,0,0,1|1,0,2]=4 1055 B13R1.167 CC(=O)OCC=Cc1ncnn1C 271570a_200000047263_100000732653 [0,0,0,0,0,1|2,0,1]=4 1056 B13R1.167 CC(=O)OCC=Cc1ncsc1C 271570a_200000047263_100000732656 [0,0,0,0,0,1|2,0,1]=4 1057 B13R1.167 CC(=O)OCC=Cc1sccc1Br 271570a_200000047263_100012361411 [0,0,0,0,0,1|2,0,1]=4 1058 B13R1.167 CC(=O)OCC=Cc1sccc1C 271570a_200000047263_100000742657 [0,0,0,0,0,1|1,0,1]=3 1059 B13R1.167 CC(=O)OCC=Cc1scnc1C 271570a_200000047263_100009817116 [0,0,0,0,0,1|0,0,1]=2 1060 B13R1.167 CC(=O)OCCOc1ccnn1C 34a_100020632926_100009814007 [0,0,0,0,0,1|2,0,0]=3 1061 B13R1.167 CC(=O)OCCSc1[nH]cnc1Cl 62a_100009814007_100010200774 [0,0,0,0,0,1|2,0,0]=3 1062 B13R1.167 CC(=O)OCCSc1[nH]cnc1Cl 62a_100010200774_100009814007 [0,0,0,0,0,1|2,0,0]=3 1063 B13R1.167 CC(=O)OCCSc1c[nH]nc1Br 62a_100009814007_100011012988 [0,0,0,0,0,1|3,0,0]=4 1064 B13R1.167 CC(=O)OCCSc1c[nH]nc1Br 62a_100011012988_100009814007 [0,0,0,0,0,1|3,0,0]=4 1065 B13R1.167 CC(=O)OCCSc1c[nH]nc1C 62a_100000692133_100009814007 [0,0,0,0,0,1|2,0,0]=3 1066 B13R1.167 CC(=O)OCCSc1c[nH]nc1C 62a_100009814007_100000692133 [0,0,0,0,0,1|2,0,0]=3 1067 B13R1.167 CC(=O)OCCSc1c[nH]nc1F 62a_100009814007_100015597042 [0,0,0,0,0,1|3,0,0]=4 1068 B13R1.167 CC(=O)OCCSc1c[nH]nc1F 62a_100015597042_100009814007 [0,0,0,0,0,1|3,0,0]=4 1069 B13R1.167 CC(=O)OCCSc1c[nH]nc1N 62a_100000717100_100009814007 [0,0,0,0,0,1|3,0,0]=4 1070 B13R1.167 CC(=O)OCCSc1c[nH]nc1N 62a_100009814007_100000717100 [0,0,0,0,0,1|3,0,0]=4 1071 B13R1.167 CC(=O)OCCSc1ccnn1C 62a_100000688441_100009814007 [0,0,0,0,0,1|2,0,0]=3 1072 B13R1.167 CC(=O)OCCSc1ccnn1C 62a_100009814007_100000688441 [0,0,0,0,0,1|2,0,0]=3 1073 B13R1.167 CC(=O)OCCSc1ccsc1C 62a_100000684487_100009814007 [0,0,0,0,0,1|2,0,0]=3 1074 B13R1.167 CC(=O)OCCSc1ccsc1C 62a_100009814007_100000684487 [0,0,0,0,0,1|2,0,0]=3 1075 B13R1.167 CC(=O)OCCSc1cnoc1C 62a_100009814007_100009872056 [0,0,0,0,0,1|3,0,0]=4 1076 B13R1.167 CC(=O)OCCSc1cnoc1C 62a_100009872056_100009814007 [0,0,0,0,0,1|3,0,0]=4 1077 B13R1.167 CC(=O)OCCSc1conc1N 62a_100009814007_100012597345 [0,0,0,0,0,1|3,0,0]=4 1078 B13R1.167 CC(=O)OCCSc1conc1N 62a_100012597345_100009814007 [0,0,0,0,0,1|3,0,0]=4 1079 B13R1.167 CC(=O)OCCSc1cscc1C 62a_100000759966_100009814007 [0,0,0,0,0,1|3,0,0]=4 1080 B13R1.167 CC(=O)OCCSc1cscc1C 62a_100009814007_100000759966 [0,0,0,0,0,1|3,0,0]=4 1081 B13R1.167 CC(=O)OCCSc1n[nH]cc1C 62a_100009814007_100009871783 [0,0,0,0,0,1|3,0,0]=4 1082 B13R1.167 CC(=O)OCCSc1n[nH]cc1C 62a_100009871783_100009814007 [0,0,0,0,0,1|3,0,0]=4 1083 B13R1.167 CC(=O)OCCSc1nc[nH]c1C 62a_100009814007_100010186451 [0,0,0,0,0,1|1,0,1]=3 1084 B13R1.167 CC(=O)OCCSc1nc[nH]c1C 62a_100010186451_100009814007 [0,0,0,0,0,1|1,0,1]=3 1085 B13R1.167 CC(=O)OCCSc1nccn1C 62a_100000707724_100009814007 [0,0,0,0,0,1|3,0,0]=4 1086 B13R1.167 CC(=O)OCCSc1nccn1C 62a_100009814007_100000707724 [0,0,0,0,0,1|3,0,0]=4 1087 B13R1.167 CC(=O)OCCSc1ncnn1C 62a_100000732653_100009814007 [0,0,0,0,0,1|2,0,0]=3 1088 B13R1.167 CC(=O)OCCSc1ncnn1C 62a_100009814007_100000732653 [0,0,0,0,0,1|2,0,0]=3 1089 B13R1.167 CC(=O)OCCSc1ncsc1C 62a_100000732656_100009814007 [0,0,0,0,0,1|2,0,0]=3 1090 B13R1.167 CC(=O)OCCSc1ncsc1C 62a_100009814007_100000732656 [0,0,0,0,0,1|2,0,0]=3 1091 B13R1.167 CC(=O)OCCSc1sccc1Br 62a_100009814007_100012361411 [0,0,0,0,0,1|2,0,0]=3 1092 B13R1.167 CC(=O)OCCSc1sccc1Br 62a_100012361411_100009814007 [0,0,0,0,0,1|2,0,0]=3 1093 B13R1.167 CC(=O)OCCSc1sccc1C 62a_100009814007_100010247149 [0,0,0,0,0,1|1,0,0]=2 1094 B13R1.167 CC(=O)OCCSc1sccc1C 62a_100010247149_100009814007 [0,0,0,0,0,1|1,0,0]=2 1095 B13R1.167 CC(=O)OCCSc1scnc1C 62a_100009814007_100009817116 [0,0,0,0,0,1|0,0,0]=1 1096 B13R1.167 CC(=O)OCCSc1scnc1C 62a_100009817116_100009814007 [0,0,0,0,0,1|0,0,0]=1 1097 B13R1.167 CC(=O)OCNCc1cccn1C 34a_100011219357_100009813279 [0,0,0,0,0,1|3,0,0]=4 1098 B13R1.167 CC(=O)OCNCc1ccnn1C 34a_100025706696_100009813279 [0,0,0,0,0,1|2,0,0]=3 1099 B13R1.167 CC(=O)OCNCc1ccsc1Br 34a_100000727803_100009813279 [0,0,0,0,0,1|3,0,0]=4 1100 B13R1.167 CC(=O)OCNCc1sccc1C 34a_100000238519_100009813279 [0,0,0,0,0,1|1,0,0]=2 1101 B13R1.167 CC(=O)OCNCc1sccc1Cl 34a_100011934584_100009813279 [0,0,0,0,0,1|2,0,0]=3 1102 B13R1.167 CC(=O)OCOCc1ccnn1C 34a_100000684702_100009813279 [0,0,0,0,0,1|2,0,0]=3 1103 B13R1.167 CC(=O)OCOCc1ccoc1C 34a_100011219433_100009813279 [0,0,0,0,0,1|2,0,0]=3 1104 B13R1.167 CC(=O)OCOCc1ccsc1Br 34a_100009816922_100009813279 [0,0,0,0,0,1|3,0,0]=4 1105 B13R1.167 CC(=O)OCOCc1ncoc1C 34a_100012017639_100009813279 [0,0,0,0,0,1|2,0,0]=3 1106 B13R1.167 CC(=O)OCOCc1occc1C 34a_100011273948_100009813279 [0,0,0,0,0,1|1,1,0]=3 1107 B13R1.167 CC(=O)OCOCc1ocnc1C 34a_100000717716_100009813279 [0,0,0,0,0,1|0,1,0]=2 1108 B13R1.167 CC(=O)OCOCc1oncc1C 34a_200011065769_100009813279 [0,0,0,0,0,1|2,1,0]=4 1109 B13R1.167 CC(=O)OCOCc1sccc1Br 34a_100000702026_100009813279 [0,0,0,0,0,1|2,0,0]=3 1110 B13R1.167 CC(=O)OCOCc1sccc1C 34a_100000238368_100009813279 [0,0,0,0,0,1|1,0,0]=2 1111 B13R1.167 CC(=O)OCOCc1sccc1Cl 34a_100000722387_100009813279 [0,0,0,0,0,1|2,0,0]=3 1112 B13R1.167 CC(=O)OCOCc1scnc1C 34a_100000750112_100009813279 [0,0,0,0,0,1|0,0,0]=1 1113 B13R1.167 CC(=O)OCSCc1ccnn1C 62a_100000076356_100000691648 [0,0,0,0,0,1|2,0,0]=3 1114 B13R1.167 CC(=O)OCSCc1ccnn1C 62a_100000691648_100000076356 [0,0,0,0,0,1|2,0,0]=3 1115 B13R1.167 CC(=O)OCSCc1ccsc1Br 62a_100000076356_100009814289 [0,0,0,0,0,1|3,0,0]=4 1116 B13R1.167 CC(=O)OCSCc1ccsc1Br 62a_100009814289_100000076356 [0,0,0,0,0,1|3,0,0]=4 1117 B13R1.167 CC(=O)OCSCc1ccsc1Cl 62a_100000076356_100010167017 [0,0,0,0,0,1|3,0,0]=4 1118 B13R1.167 CC(=O)OCSCc1ccsc1Cl 62a_100010167017_100000076356 [0,0,0,0,0,1|3,0,0]=4 1119 B13R1.167 CC(=O)OCSCc1nc[nH]c1C 62a_100000076356_100000751220 [0,0,0,0,0,1|1,0,1]=3 1120 B13R1.167 CC(=O)OCSCc1nc[nH]c1C 62a_100000751220_100000076356 [0,0,0,0,0,1|1,0,1]=3 1121 B13R1.167 CC(=O)OCSCc1nccn1C 62a_100000076356_100000700302 [0,0,0,0,0,1|3,0,0]=4 1122 B13R1.167 CC(=O)OCSCc1nccn1C 62a_100000700302_100000076356 [0,0,0,0,0,1|3,0,0]=4 1123 B13R1.167 CC(=O)OCSCc1ncoc1C 62a_100000076356_200000693990 [0,0,0,0,0,1|2,0,0]=3 1124 B13R1.167 CC(=O)OCSCc1ncoc1C 62a_200000693990_100000076356 [0,0,0,0,0,1|2,0,0]=3 1125 B13R1.167 CC(=O)OCSCc1nonc1C 62a_100000076356_200000044682 [0,0,0,0,0,1|2,0,0]=3 1126 B13R1.167 CC(=O)OCSCc1nonc1C 62a_200000044682_100000076356 [0,0,0,0,0,1|2,0,0]=3 1127 B13R1.167 CC(=O)OCSCc1snnc1C 62a_100000076356_100000732739 [0,0,0,0,0,1|1,0,0]=2 1128 B13R1.167 CC(=O)OCSCc1snnc1C 62a_100000732739_100000076356 [0,0,0,0,0,1|1,0,0]=2 1129 B13R1.167 Cc1[nH]cnc1SCCOC(=O)N 62a_100010186451_200011214921 [0,0,0,0,0,1|2,0,1]=4 1130 B13R1.167 Cc1[nH]cnc1SCCOC(=O)N 62a_200011214921_100010186451 [0,0,0,0,0,1|2,0,1]=4 1131 B13R1.167 Cc1ccsc1CNCCC(=O)N 207a_100000740010_100000210881 [0,0,0,0,0,1|3,0,0]=4 1132 B13R1.167 Cc1ccsc1CNCCC(=O)N 2230a_100000238519_100000744528 [0,0,0,0,0,1|3,0,0]=4 1133 B13R1.167 Cc1ccsc1CNCCC(=O)N 34a_100000238519_100000731001 [0,0,0,0,0,1|3,0,0]=4 1134 B13R1.167 Cc1ccsc1CNCOC(C)C 2230a_100000238519_100000709892 [0,0,0,0,0,1|2,0,1]=4 1135 B13R1.167 Cc1ccsc1CNCOC(C)C 34a_100000238519_100000709892 [0,0,0,0,0,1|2,0,1]=4 1136 B13R1.167 Cc1ccsc1COCCC(=O)N 34a_100000238368_100000731001 [0,0,0,0,0,1|3,0,0]=4 1137 B13R1.167 Cc1ccsc1COCCC(=O)N 7a_100000238368_100000744528 [0,0,0,0,0,1|3,0,0]=4 1138 B13R1.167 Cc1ccsc1COCOC(C)C 34a_100000238368_100000709892 [0,0,0,0,0,1|2,0,1]=4 1139 B13R1.167 Cc1ccsc1SCCCC(=O)N 62a_100010247149_100102525003 [0,0,0,0,0,1|3,0,0]=4 1140 B13R1.167 Cc1ccsc1SCCCC(=O)N 62a_100102525003_100010247149 [0,0,0,0,0,1|3,0,0]=4 1141 B13R1.167 Cc1ccsc1SCCNC(=O)N 62a_100010247149_200000034859 [0,0,0,0,0,1|3,0,0]=4 1142 B13R1.167 Cc1ccsc1SCCNC(=O)N 62a_200000034859_100010247149 [0,0,0,0,0,1|3,0,0]=4 1143 B13R1.167 Cc1ccsc1SCCOC(=O)N 62a_100010247149_200011214921 [0,0,0,0,0,1|2,0,0]=3 1144 B13R1.167 Cc1ccsc1SCCOC(=O)N 62a_200011214921_100010247149 [0,0,0,0,0,1|2,0,0]=3 1145 B13R1.167 Cc1ccsc1SCCOC(C)C 62a_100000211751_100010247149 [0,0,0,0,0,1|2,0,1]=4 1146 B13R1.167 Cc1ccsc1SCCOC(C)C 62a_100010247149_100000211751 [0,0,0,0,0,1|2,0,1]=4 1147 B13R1.167 Cc1n[nH]cc1SCCOC(=O)N 62a_100000692133_200011214921 [0,0,0,0,0,1|3,0,0]=4 1148 B13R1.167 Cc1n[nH]cc1SCCOC(=O)N 62a_200011214921_100000692133 [0,0,0,0,0,1|3,0,0]=4 1149 B13R1.167 Cc1nccn1CCOCC(=O)N 34a_100000702865_100000187820 [0,0,0,0,0,1|3,0,0]=4 1150 B13R1.167 Cc1nccn1CCOCC(=O)N 7a_100000702865_100000187820 [0,0,0,0,0,1|3,0,0]=4 1151 B13R1.167 Cc1nccn1CCOCC(=O)[O-] 34a_100000702865_100020667443 [0,0,0,0,0,1|3,0,0]=4 1152 B13R1.167 Cc1ncoc1COCCC(=O)N 34a_100000717716_100000731001 [0,0,0,0,0,1|2,1,0]=4 1153 B13R1.167 Cc1ncoc1COCCC(=O)N 7a_100000717716_100000744528 [0,0,0,0,0,1|2,1,0]=4 1154 B13R1.167 Cc1ncoc1COCOC(C)C 34a_100000717716_100000709892 [0,0,0,0,0,1|1,1,1]=4 1155 B13R1.167 Cc1ncsc1CCNCC(=O)N 2230a_100000238517_100000747473 [0,0,0,0,0,1|2,0,0]=3 1156 B13R1.167 Cc1ncsc1CCNCC(=O)N 2230a_100000711301_100000057103 [0,0,0,0,0,1|2,0,0]=3 1157 B13R1.167 Cc1ncsc1CCNCC(=O)N 34a_100000238517_100000187820 [0,0,0,0,0,1|2,0,0]=3 1158 B13R1.167 Cc1ncsc1CCNCC(=O)O 269956a_100016091260_100000057103 [0,0,0,0,0,1|2,0,0]=3 1159 B13R1.167 Cc1ncsc1CCNCC(=O)[O-] 34a_100000238517_100020667443 [0,0,0,0,0,1|2,0,0]=3 1160 B13R1.167 Cc1ncsc1CCNCC(C)C 2230a_100000210953_100000057103 [0,0,0,0,0,1|2,0,1]=4 1161 B13R1.167 Cc1ncsc1CCNCC(C)C 2230a_100000238517_100000210760 [0,0,0,0,0,1|2,0,1]=4 1162 B13R1.167 Cc1ncsc1CCNCC(C)C 270004a_100000238517_100000210432 [0,0,0,0,0,1|2,0,1]=4 1163 B13R1.167 Cc1ncsc1CCNCC(C)C 34a_100000210953_100000057103 [0,0,0,0,0,1|2,0,1]=4 1164 B13R1.167 Cc1ncsc1CCNCC(C)C 34a_100000238517_100000210624 [0,0,0,0,0,1|2,0,1]=4 1165 B13R1.167 Cc1ncsc1CCNCC(C)O 2230a_100000210904_100000057103 [0,0,0,0,0,1|1,0,2]=4 1166 B13R1.167 Cc1ncsc1CCNCC(C)O 2230a_100000238517_100011218427 [0,0,0,0,0,1|1,0,2]=4 1167 B13R1.167 Cc1ncsc1CCNCC(C)O 34a_100000210904_100000057103 [0,0,0,0,0,1|1,0,2]=4 1168 B13R1.167 Cc1ncsc1CCNCC(C)O 34a_100000238517_100011218427 [0,0,0,0,0,1|1,0,2]=4 1169 B13R1.167 Cc1ncsc1CCNC[C@@H](C)O 2230a_100000238517_100009817552 [0,0,0,0,0,1|1,0,2]=4 1170 B13R1.167 Cc1ncsc1CCNC[C@@H](C)O 34a_100000238517_100009817552 [0,0,0,0,0,1|1,0,2]=4 1171 B13R1.167 Cc1ncsc1CCNC[N+](=O)[O-] 34a_100000238517_100000761209 [0,0,0,0,0,1|3,0,0]=4 1172 B13R1.167 Cc1ncsc1CCOCC(=O)N 34a_100000211055_100000187820 [0,0,0,0,0,1|1,0,0]=2 1173 B13R1.167 Cc1ncsc1CCOCC(=O)N 7a_100000211055_100000187820 [0,0,0,0,0,1|1,0,0]=2 1174 B13R1.167 Cc1ncsc1CCOCC(=O)[O-] 34a_100000211055_100020667443 [0,0,0,0,0,1|1,0,0]=2 1175 B13R1.167 Cc1ncsc1CCOCC(C)Br 34a_100012180447_100000057103 [0,0,0,0,0,1|1,0,1]=3 1176 B13R1.167 Cc1ncsc1CCOCC(C)C 34a_100000210257_100000057103 [0,0,0,0,0,1|1,0,1]=3 1177 B13R1.167 Cc1ncsc1CCOCC(C)C 34a_100000211055_100000210624 [0,0,0,0,0,1|1,0,1]=3 1178 B13R1.167 Cc1ncsc1CCOCC(C)C 7a_100000211055_100000210760 [0,0,0,0,0,1|1,0,1]=3 1179 B13R1.167 Cc1ncsc1CCOCC(C)F 34a_100015925927_100000057103 [0,0,0,0,0,1|1,0,1]=3 1180 B13R1.167 Cc1ncsc1CCOCC(C)O 34a_100000211055_100011218427 [0,0,0,0,0,1|0,0,2]=3 1181 B13R1.167 Cc1ncsc1CCOCC(C)O 7a_100000211055_100011218427 [0,0,0,0,0,1|0,0,2]=3 1182 B13R1.167 Cc1ncsc1CCOCC(F)F 34a_100000211055_100011934356 [0,0,0,0,0,1|2,0,1]=4 1183 B13R1.167 Cc1ncsc1CCOCC(F)F 34a_100000743014_100000057103 [0,0,0,0,0,1|2,0,1]=4 1184 B13R1.167 Cc1ncsc1CCOCC(F)F 7a_100000211055_100011934356 [0,0,0,0,0,1|2,0,1]=4 1185 B13R1.167 Cc1ncsc1CCOC[C@@H](C)Cl 34a_100016084084_100000057103 [0,0,0,0,0,1|1,0,1]=3 1186 B13R1.167 Cc1ncsc1CCOC[C@@H](C)N 34a_100000737577_100000057103 [0,0,0,0,0,1|1,0,1]=3 1187 B13R1.167 Cc1ncsc1CCOC[C@@H](C)O 34a_100000211055_100009817552 [0,0,0,0,0,1|0,0,2]=3 1188 B13R1.167 Cc1ncsc1CCOC[C@@H](C)O 7a_100000211055_100009817552 [0,0,0,0,0,1|0,0,2]=3 1189 B13R1.167 Cc1ncsc1CCOC[N+](=O)[O-] 34a_100000211055_100000761209 [0,0,0,0,0,1|2,0,0]=3 1190 B13R1.167 Cc1ncsc1CCSCC(=O)N 62a_100000057103_100000747473 [0,0,0,0,0,1|1,1,0]=3 1191 B13R1.167 Cc1ncsc1CCSCC(=O)N 62a_100000747473_100000057103 [0,0,0,0,0,1|1,1,0]=3 1192 B13R1.167 Cc1ncsc1CCSCC(=O)[O-] 62a_100000057103_100020667443 [0,0,0,0,0,1|1,1,0]=3 1193 B13R1.167 Cc1ncsc1CCSCC(=O)[O-] 62a_100020667443_100000057103 [0,0,0,0,0,1|1,1,0]=3 1194 B13R1.167 Cc1ncsc1CCSCC(C)C 62a_100000057103_100000210760 [0,0,0,0,0,1|1,1,1]=4 1195 B13R1.167 Cc1ncsc1CCSCC(C)C 62a_100000210624_100000057103 [0,0,0,0,0,1|1,1,1]=4 1196 B13R1.167 Cc1ncsc1CCSCC(C)O 62a_100000057103_100011218427 [0,0,0,0,0,1|0,1,2]=4 1197 B13R1.167 Cc1ncsc1CCSCC(C)O 62a_100011218427_100000057103 [0,0,0,0,0,1|0,1,2]=4 1198 B13R1.167 Cc1ncsc1CCSC[C@@H](C)O 62a_100000057103_100009817552 [0,0,0,0,0,1|0,1,2]=4 1199 B13R1.167 Cc1ncsc1CCSC[C@@H](C)O 62a_100009817552_100000057103 [0,0,0,0,0,1|0,1,2]=4 1200 B13R1.167 Cc1ncsc1CCSC[N+](=O)[O-] 62a_100000057103_100000761209 [0,0,0,0,0,1|2,1,0]=4 1201 B13R1.167 Cc1ncsc1CNCCC(=O)N 207a_100000740010_100000764165 [0,0,0,0,0,1|2,0,0]=3 1202 B13R1.167 Cc1ncsc1CNCCC(=O)N 2230a_100000752186_100000744528 [0,0,0,0,0,1|2,0,0]=3 1203 B13R1.167 Cc1ncsc1CNCCC(C)C 207a_100000210545_100000764165 [0,0,0,0,0,1|2,0,1]=4 1204 B13R1.167 Cc1ncsc1CNCCC(C)C 2230a_100000752186_100000210312 [0,0,0,0,0,1|2,0,1]=4 1205 B13R1.167 Cc1ncsc1CNCCC(C)C 269862a_100000752186_100000185833 [0,0,0,0,0,1|2,0,1]=4 1206 B13R1.167 Cc1ncsc1CNCCC(C)O 207a_200000755665_100000764165 [0,0,0,0,0,1|1,0,2]=4 1207 B13R1.167 Cc1ncsc1CNCCC(C)O 2230a_100000752186_100012276601 [0,0,0,0,0,1|1,0,2]=4 1208 B13R1.167 Cc1ncsc1CNCCN(C)C 207a_100000210585_100000764165 [0,0,0,0,0,1|3,0,0]=4 1209 B13R1.167 Cc1ncsc1CNCOC(C)C 2230a_100000752186_100000709892 [0,0,0,0,0,1|1,0,1]=3 1210 B13R1.167 Cc1ncsc1COCCC(=O)N 34a_100000750112_100000731001 [0,0,0,0,0,1|2,0,0]=3 1211 B13R1.167 Cc1ncsc1COCCC(=O)N 7a_100000750112_100000744528 [0,0,0,0,0,1|2,0,0]=3 1212 B13R1.167 Cc1ncsc1COCCC(C)C 34a_100000750112_100000210312 [0,0,0,0,0,1|2,0,1]=4 1213 B13R1.167 Cc1ncsc1COCCC(C)C 7a_100000750112_100000210626 [0,0,0,0,0,1|2,0,1]=4 1214 B13R1.167 Cc1ncsc1COCCC(C)O 34a_100000750112_100012276601 [0,0,0,0,0,1|1,0,2]=4 1215 B13R1.167 Cc1ncsc1COCCC(C)O 7a_100000750112_100012276601 [0,0,0,0,0,1|1,0,2]=4 1216 B13R1.167 Cc1ncsc1COCCN(C)C 7a_100000750112_100000755713 [0,0,0,0,0,1|3,0,0]=4 1217 B13R1.167 Cc1ncsc1COCOC(C)C 34a_100000750112_100000709892 [0,0,0,0,0,1|1,0,1]=3 1218 B13R1.167 Cc1ncsc1SCCC=C(F)F 62a_100009817116_200009816681 [0,0,0,0,0,1|3,0,0]=4 1219 B13R1.167 Cc1ncsc1SCCC=C(F)F 62a_200009816681_100009817116 [0,0,0,0,0,1|3,0,0]=4 1220 B13R1.167 Cc1ncsc1SCCCC(=O)N 62a_100009817116_100102525003 [0,0,0,0,0,1|2,0,0]=3 1221 B13R1.167 Cc1ncsc1SCCCC(=O)N 62a_100102525003_100009817116 [0,0,0,0,0,1|2,0,0]=3 1222 B13R1.167 Cc1ncsc1SCCCC(C)C 62a_100009817116_100011214892 [0,0,0,0,0,1|2,0,1]=4 1223 B13R1.167 Cc1ncsc1SCCCC(C)C 62a_100011214892_100009817116 [0,0,0,0,0,1|2,0,1]=4 1224 B13R1.167 Cc1ncsc1SCCCC(C)O 62a_100009817116_200000718107 [0,0,0,0,0,1|1,0,2]=4 1225 B13R1.167 Cc1ncsc1SCCCC(C)O 62a_200000718107_100009817116 [0,0,0,0,0,1|1,0,2]=4 1226 B13R1.167 Cc1ncsc1SCCCN(C)C 62a_100009817116_100000757444 [0,0,0,0,0,1|3,0,0]=4 1227 B13R1.167 Cc1ncsc1SCCNC(=O)N 62a_100009817116_200000034859 [0,0,0,0,0,1|2,0,0]=3 1228 B13R1.167 Cc1ncsc1SCCNC(=O)N 62a_200000034859_100009817116 [0,0,0,0,0,1|2,0,0]=3 1229 B13R1.167 Cc1ncsc1SCCOC(=O)N 62a_100009817116_200011214921 [0,0,0,0,0,1|1,0,0]=2 1230 B13R1.167 Cc1ncsc1SCCOC(=O)N 62a_200011214921_100009817116 [0,0,0,0,0,1|1,0,0]=2 1231 B13R1.167 Cc1ncsc1SCCOC(C)C 62a_100000211751_100009817116 [0,0,0,0,0,1|1,0,1]=3 1232 B13R1.167 Cc1ncsc1SCCOC(C)C 62a_100009817116_100000211751 [0,0,0,0,0,1|1,0,1]=3 1233 B13R1.167 Cc1ncsc1SCCSC(C)C 62a_100000730970_100009817116 [0,0,0,0,0,1|1,1,1]=4 1234 B13R1.167 Cc1ncsc1SCCSC(C)C 62a_100009817116_100000730970 [0,0,0,0,0,1|1,1,1]=4 1235 B13R1.167 Cc1nnsc1CNCCC(=O)N 2230a_100000732738_100000744528 [0,0,0,0,0,1|3,0,0]=4 1236 B13R1.167 Cc1nnsc1CNCOC(C)C 2230a_100000732738_100000709892 [0,0,0,0,0,1|2,0,1]=4 1237 B13R1.167 Cc1nnsc1CNOCC(=O)O 269956a_100000106656_100000732739 [0,0,0,0,0,1|3,0,0]=4 1238 B13R1.167 Cc1nnsc1COCCC(=O)N 34a_100000757172_100000732739 [0,0,0,0,0,1|3,0,0]=4 1239 B13R1.167 Cc1nnsc1COCCC(=O)N 7a_100000757172_100000732739 [0,0,0,0,0,1|3,0,0]=4 1240 B13R1.167 Cc1nnsc1CSCCC(=O)N 62a_100000732739_100000744528 [0,0,0,0,0,1|3,0,0]=4 1241 B13R1.167 Cc1nnsc1CSCCC(=O)N 62a_100000744528_100000732739 [0,0,0,0,0,1|3,0,0]=4 1242 B13R1.167 Cc1nnsc1CSCOC(C)C 62a_100000709892_100000732739 [0,0,0,0,0,1|2,0,1]=4 1243 B13R1.167 Cc1nnsc1CSCOC(C)C 62a_100000732739_100000709892 [0,0,0,0,0,1|2,0,1]=4 1244 B13R1.167 Cc1sccc1SCCOC(=O)N 62a_100000684487_200011214921 [0,0,0,0,0,1|3,0,0]=4 1245 B13R1.167 Cc1sccc1SCCOC(=O)N 62a_200011214921_100000684487 [0,0,0,0,0,1|3,0,0]=4 1246 B13R1.167 Cc1scnc1SCCOC(=O)N 62a_100000732656_200011214921 [0,0,0,0,0,1|3,0,0]=4 1247 B13R1.167 Cc1scnc1SCCOC(=O)N 62a_200011214921_100000732656 [0,0,0,0,0,1|3,0,0]=4 1248 B13R1.167 Cn1nccc1OCCOC(=O)N 34a_100020632926_200011214921 [0,0,0,0,0,1|3,0,0]=4 1249 B13R1.167 Cn1nccc1SCCOC(=O)N 62a_100000688441_200011214921 [0,0,0,0,0,1|3,0,0]=4 1250 B13R1.167 Cn1nccc1SCCOC(=O)N 62a_200011214921_100000688441 [0,0,0,0,0,1|3,0,0]=4 1251 B13R1.167 Cn1ncnc1SCCOC(=O)N 62a_100000732653_200011214921 [0,0,0,0,0,1|3,0,0]=4 1252 B13R1.167 Cn1ncnc1SCCOC(=O)N 62a_200011214921_100000732653 [0,0,0,0,0,1|3,0,0]=4 1253 B13R1.167 NC(=O)CCOCc1scnc1Br 7a_100012000948_100000744528 [0,0,0,0,0,1|3,0,0]=4 1254 B13R1.167 NC(=O)OCCSc1[nH]cnc1Cl 62a_100010200774_200011214921 [0,0,0,0,0,1|3,0,0]=4 1255 B13R1.167 NC(=O)OCCSc1[nH]cnc1Cl 62a_200011214921_100010200774 [0,0,0,0,0,1|3,0,0]=4 1256 B13R1.167 NC(=O)OCCSc1sccc1Br 62a_100012361411_200011214921 [0,0,0,0,0,1|3,0,0]=4 1257 B13R1.167 NC(=O)OCCSc1sccc1Br 62a_200011214921_100012361411 [0,0,0,0,0,1|3,0,0]=4 1258 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [1,0,1,0,0,0|1,1,0]=4 1259 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [1,0,1,0,0,0|1,1,0]=4 1260 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [1,0,1,0,0,0|0,1,0]=3 1261 B10R0.98 C=C(C)C(=O)CCOC(=O)N 1458a_100000185857_200011214921 [1,0,1,0,0,0|1,1,0]=4 1262 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [1,0,1,0,0,0|2,0,0]=4 1263 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [1,0,1,0,0,0|1,0,1]=4 1264 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [1,0,1,0,0,0|1,0,1]=4 1265 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [1,0,1,0,0,0|1,0,1]=4 1266 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [1,0,1,0,0,0|1,0,1]=4 1267 B10R1.21 C/C=C/CSc1cncs1 62a_100011934649_100102629194 [2,0,0,0,0,0|2,0,0]=4 1268 B10R1.21 C/C=C/CSc1cncs1 62a_100102629194_100011934649 [2,0,0,0,0,0|2,0,0]=4 1269 B10R1.21 CC=CCSc1cncs1 62a_100000070051_100011934649 [2,0,0,0,0,0|2,0,0]=4 1270 B10R1.21 CC=CCSc1cncs1 62a_100011934649_100000070051 [2,0,0,0,0,0|2,0,0]=4 1271 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [2,0,0,0,0,0|1,0,1]=4 1272 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [2,0,0,0,0,0|1,0,1]=4 1273 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [2,0,0,0,0,0|1,0,1]=4 1274 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [2,0,0,0,0,0|1,0,1]=4 1275 B10R1.21 CCOCSc1cncs1 62a_100000739092_100011934649 [2,0,0,0,0,0|1,0,1]=4 1276 B10R1.21 CCOCSc1cncs1 62a_100011934649_100000739092 [2,0,0,0,0,0|1,0,1]=4 1277 B10R1.21 O=CCNCc1cncs1 2230a_100016987365_200015260668 [2,0,0,0,0,0|2,0,0]=4 1278 B10R1.21 O=CCSCc1cncs1 62a_100015185245_200015260668 [2,0,0,0,0,0|2,0,0]=4 1279 B10R1.21 O=CCSCc1cncs1 62a_200015260668_100015185245 [2,0,0,0,0,0|2,0,0]=4 1280 B10R1.29 C=CCSc1scnc1C 62a_100000210623_100009817116 [2,0,0,0,0,0|1,0,1]=4 1281 B10R1.29 C=CCSc1scnc1C 62a_100009817116_100000210623 [2,0,0,0,0,0|1,0,1]=4 1282 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [2,0,0,0,0,0|1,0,1]=4 1283 B10R1.29 CCCCc1scnc1C 271570a_100020621405_100009817116 [2,0,0,0,0,0|0,0,1]=3 1284 B10R1.29 CCCSc1scnc1C 62a_100000210303_100009817116 [2,0,0,0,0,0|1,0,1]=4 1285 B10R1.29 CCCSc1scnc1C 62a_100009817116_100000210303 [2,0,0,0,0,0|1,0,1]=4 1286 B10R1.29 CCNCc1scnc1C 207a_100015525214_100000764165 [2,0,0,0,0,0|1,0,1]=4 1287 B10R1.29 CCNCc1scnc1C 2230a_100000752186_100000210202 [2,0,0,0,0,0|1,0,1]=4 1288 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [2,0,0,0,0,0|0,1,1]=4 1289 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [2,0,0,0,0,0|0,1,1]=4 1290 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [2,0,0,0,0,0|1,0,1]=4 1291 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [2,0,0,0,0,0|1,0,1]=4 1292 B10R1.29 CCOCc1scnc1Br 7a_100012000948_100000210202 [2,0,0,0,0,0|1,0,1]=4 1293 B10R1.29 CCOCc1scnc1C 34a_100000750112_100000210202 [2,0,0,0,0,0|0,0,1]=3 1294 B10R1.29 CCOCc1scnc1C 7a_100000750112_100000210202 [2,0,0,0,0,0|0,0,1]=3 1295 B10R1.29 CCOCc1snnc1C 34a_100121572206_100000732739 [2,0,0,0,0,0|1,0,1]=4 1296 B10R1.29 CNCCc1scnc1C 2230a_100000238517_200000210301 [2,0,0,0,0,0|1,0,0]=3 1297 B10R1.29 CNCCc1scnc1C 2230a_106832991635_100000057103 [2,0,0,0,0,0|1,0,0]=3 1298 B10R1.29 CNCCc1scnc1C 34a_100000238517_200000210301 [2,0,0,0,0,0|1,0,0]=3 1299 B10R1.29 CNCCc1scnc1C 34a_100102657272_100000057103 [2,0,0,0,0,0|1,0,0]=3 1300 B10R1.29 CNCCc1scnc1C 7a_106832991635_100000057103 [2,0,0,0,0,0|1,0,0]=3 1301 B10R1.29 COCCc1scnc1C 34a_100000211055_200000210301 [2,0,0,0,0,0|0,0,0]=2 1302 B10R1.29 COCCc1scnc1C 34a_100138415774_100000057103 [2,0,0,0,0,0|0,0,0]=2 1303 B10R1.29 COCCc1scnc1C 7a_100000211055_200000210301 [2,0,0,0,0,0|0,0,0]=2 1304 B10R1.29 COCCn1ccnc1C 34a_100000702865_200000210301 [2,0,0,0,0,0|2,0,0]=4 1305 B10R1.29 COCCn1ccnc1C 7a_100000702865_200000210301 [2,0,0,0,0,0|2,0,0]=4 1306 B10R1.29 COCSc1sccc1C 62a_100000766300_100010247149 [2,0,0,0,0,0|2,0,0]=4 1307 B10R1.29 COCSc1sccc1C 62a_100010247149_100000766300 [2,0,0,0,0,0|2,0,0]=4 1308 B10R1.29 COCSc1scnc1C 62a_100000766300_100009817116 [2,0,0,0,0,0|1,0,0]=3 1309 B10R1.29 COCSc1scnc1C 62a_100009817116_100000766300 [2,0,0,0,0,0|1,0,0]=3 1310 B10R1.29 CSCCc1scnc1C 62a_100000057103_200000210301 [2,0,0,0,0,0|0,1,0]=3 1311 B10R1.29 CSCCc1scnc1C 62a_200000210301_100000057103 [2,0,0,0,0,0|0,1,0]=3 1312 B10R1.29 CSCSc1scnc1C 62a_100009817116_100011218213 [2,0,0,0,0,0|1,1,0]=4 1313 B10R1.29 CSCSc1scnc1C 62a_100011218213_100009817116 [2,0,0,0,0,0|1,1,0]=4 1314 B10R1.29 Cc1ccsc1SCC=O 62a_100010247149_200015260668 [2,0,0,0,0,0|2,0,0]=4 1315 B10R1.29 Cc1ccsc1SCC=O 62a_200015260668_100010247149 [2,0,0,0,0,0|2,0,0]=4 1316 B10R1.29 Cc1nccn1CCO[13CH3] 34a_100000702865_200025704644 [2,0,0,0,0,0|2,0,0]=4 1317 B10R1.29 Cc1nccn1CCO[13CH3] 7a_100000702865_200025704644 [2,0,0,0,0,0|2,0,0]=4 1318 B10R1.29 Cc1ncsc1CCN[13CH3] 2230a_100000238517_200025704644 [2,0,0,0,0,0|1,0,0]=3 1319 B10R1.29 Cc1ncsc1CCN[13CH3] 34a_100000238517_200025704644 [2,0,0,0,0,0|1,0,0]=3 1320 B10R1.29 Cc1ncsc1CCO[13CH3] 34a_100000211055_200025704644 [2,0,0,0,0,0|0,0,0]=2 1321 B10R1.29 Cc1ncsc1CCO[13CH3] 7a_100000211055_200025704644 [2,0,0,0,0,0|0,0,0]=2 1322 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_100000057103_200025704644 [2,0,0,0,0,0|0,1,0]=3 1323 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_200025704644_100000057103 [2,0,0,0,0,0|0,1,0]=3 1324 B10R1.29 Cc1ncsc1COCF 34a_100000750112_100015361967 [2,0,0,0,0,0|1,0,1]=4 1325 B10R1.29 Cc1ncsc1COCF 7a_100000750112_100015361967 [2,0,0,0,0,0|1,0,1]=4 1326 B10R1.29 Cc1ncsc1SCC=O 62a_100009817116_200015260668 [2,0,0,0,0,0|1,0,0]=3 1327 B10R1.29 Cc1ncsc1SCC=O 62a_200015260668_100009817116 [2,0,0,0,0,0|1,0,0]=3 1328 B12R0.54 CO/N=C(\C)/C(=O)CCOC(=O)C 1458a_100160996864_100009814007 [0,1,1,0,0,0|0,1,1]=4 1329 B12R0.233 C/C=C/C=CC(=O)CCOC(=O)C 1458a_100000185730_100009814007 [0,1,1,0,0,0|2,0,0]=4 1330 B12R1.105 CC(=O)CCSc1cnc(s1)Br 62a_100000053229_100012357534 [1,1,0,0,0,0|2,0,0]=4 1331 B12R1.105 CC(=O)CCSc1cnc(s1)Br 62a_100012357534_100000053229 [1,1,0,0,0,0|2,0,0]=4 1332 B12R1.105 CC(=O)CCSc1cnc(s1)C 62a_100000053229_100000764884 [1,1,0,0,0,0|2,0,0]=4 1333 B12R1.105 CC(=O)CCSc1cnc(s1)C 62a_100000764884_100000053229 [1,1,0,0,0,0|2,0,0]=4 1334 B12R1.105 CC(=O)CCSc1cnc(s1)N 62a_100000053229_100000718969 [1,1,0,0,0,0|2,0,0]=4 1335 B12R1.105 CC(=O)CCSc1cnc(s1)N 62a_100000718969_100000053229 [1,1,0,0,0,0|2,0,0]=4 1336 B12R1.105 CC(=O)COCc1cnc(s1)Br 34a_100000211253_100000717027 [1,1,0,0,0,0|2,0,0]=4 1337 B12R1.105 CC(=O)COCc1cnc(s1)C 34a_100000211253_100020635045 [1,1,0,0,0,0|2,0,0]=4 1338 B12R1.105 CC(=O)COCc1cnc(s1)Cl 34a_100000211253_100000058068 [1,1,0,0,0,0|2,0,0]=4 1339 B12R1.105 CC(=O)NCCc1ccc(s1)Br 11a_100000217605_100015343762 [1,1,0,0,0,0|2,0,0]=4 1340 B12R1.105 CC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100015343762 [1,1,0,0,0,0|2,0,0]=4 1341 B12R1.105 CC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100015343762 [1,1,0,0,0,0|2,0,0]=4 1342 B12R1.105 CC(=O)NCCc1ccc(s1)Br 527a_100000217605_100103153847 [1,1,0,0,0,0|2,0,0]=4 1343 B12R1.105 CC(=O)NCCc1nnc(s1)C 11a_100000733084_100015343762 [1,1,0,0,0,0|2,0,0]=4 1344 B12R1.105 CC(=O)NCCc1nnc(s1)C 1626a_100000733084_100015343762 [1,1,0,0,0,0|2,0,0]=4 1345 B12R1.105 CC(=O)NCCc1nnc(s1)C 240690a_100000733084_100015343762 [1,1,0,0,0,0|2,0,0]=4 1346 B12R1.105 CC(=O)NCCc1nnc(s1)C 527a_100000733084_100103153847 [1,1,0,0,0,0|2,0,0]=4 1347 B12R1.105 CC(=O)OCSc1cc(cs1)C 62a_100000076356_100009876951 [1,1,0,0,0,0|2,0,0]=4 1348 B12R1.105 CC(=O)OCSc1cc(cs1)C 62a_100009876951_100000076356 [1,1,0,0,0,0|2,0,0]=4 1349 B12R1.105 CC(=O)OCSc1ccc(s1)Br 62a_100000076356_100010197418 [1,1,0,0,0,0|2,0,0]=4 1350 B12R1.105 CC(=O)OCSc1ccc(s1)Br 62a_100010197418_100000076356 [1,1,0,0,0,0|2,0,0]=4 1351 B12R1.105 CC(=O)OCSc1ccc(s1)C 62a_100000031368_100000076356 [1,1,0,0,0,0|2,0,0]=4 1352 B12R1.105 CC(=O)OCSc1ccc(s1)C 62a_100000076356_100000031368 [1,1,0,0,0,0|2,0,0]=4 1353 B12R1.105 CC(=O)OCSc1cnc(s1)Br 62a_100000076356_100012357534 [1,1,0,0,0,0|1,0,0]=3 1354 B12R1.105 CC(=O)OCSc1cnc(s1)Br 62a_100012357534_100000076356 [1,1,0,0,0,0|1,0,0]=3 1355 B12R1.105 CC(=O)OCSc1cnc(s1)C 62a_100000076356_100000764884 [1,1,0,0,0,0|1,0,0]=3 1356 B12R1.105 CC(=O)OCSc1cnc(s1)C 62a_100000764884_100000076356 [1,1,0,0,0,0|1,0,0]=3 1357 B12R1.105 CC(=O)OCSc1cnc(s1)N 62a_100000076356_100000718969 [1,1,0,0,0,0|1,0,0]=3 1358 B12R1.105 CC(=O)OCSc1cnc(s1)N 62a_100000718969_100000076356 [1,1,0,0,0,0|1,0,0]=3 1359 B12R1.105 CC(=O)OCSc1nnc(s1)C 62a_100000076356_100000686958 [1,1,0,0,0,0|2,0,0]=4 1360 B12R1.105 CC(=O)OCSc1nnc(s1)C 62a_100000686958_100000076356 [1,1,0,0,0,0|2,0,0]=4 1361 B12R1.105 CC(=O)OCSc1nnc(s1)N 62a_100000076356_100000738278 [1,1,0,0,0,0|2,0,0]=4 1362 B12R1.105 CC(=O)OCSc1nnc(s1)N 62a_100000738278_100000076356 [1,1,0,0,0,0|2,0,0]=4 1363 B12R1.105 CC(C)OCCc1cnc(s1)N 7a_100000124125_100000210206 [1,1,0,0,0,0|1,0,1]=4 1364 B12R1.260 CC(=O)NC(C)Cc1cccs1 11a_100000751415_100015343762 [1,1,0,0,0,0|2,0,0]=4 1365 B12R1.260 CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100015343762 [1,1,0,0,0,0|2,0,0]=4 1366 B12R1.260 CC(=O)NC(C)Cc1cccs1 240690a_100000751415_100015343762 [1,1,0,0,0,0|2,0,0]=4 1367 B12R1.260 CC(=O)NC(C)Cc1cccs1 527a_100000751415_100103153847 [1,1,0,0,0,0|2,0,0]=4 1368 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100009818208_100011215356 [1,1,0,0,0,0|2,0,0]=4 1369 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100011215356_100009818208 [1,1,0,0,0,0|2,0,0]=4 1370 B12R1.260 CC(=O)OC(C)Sc1cnco1 62a_100009818208_100020591547 [1,1,0,0,0,0|1,1,0]=4 1371 B12R1.260 CC(=O)OC(C)Sc1cnco1 62a_100020591547_100009818208 [1,1,0,0,0,0|1,1,0]=4 1372 B12R1.260 CC(=O)OC(C)Sc1cncs1 62a_100009818208_100011934649 [1,1,0,0,0,0|1,0,0]=3 1373 B12R1.260 CC(=O)OC(C)Sc1cncs1 62a_100011934649_100009818208 [1,1,0,0,0,0|1,0,0]=3 1374 B12R1.260 CC(=O)OC(C)Sc1nncs1 62a_100000739804_100009818208 [1,1,0,0,0,0|2,0,0]=4 1375 B12R1.260 CC(=O)OC(C)Sc1nncs1 62a_100009818208_100000739804 [1,1,0,0,0,0|2,0,0]=4 1376 B12R1.264 CC(=O)C(=O)CSc1cncs1 62a_100011261029_100011934649 [1,1,0,0,0,0|2,0,0]=4 1377 B12R1.264 CC(=O)C(=O)CSc1cncs1 62a_100011934649_100011261029 [1,1,0,0,0,0|2,0,0]=4 1378 B12R1.264 CC(=O)C(C)NCc1cncs1 2230a_100016987365_100009814033 [1,1,0,0,0,0|2,0,0]=4 1379 B12R1.264 CC(=O)C(C)OCc1cncs1 34a_100000212229_100015185245 [1,1,0,0,0,0|2,0,0]=4 1380 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100009814033_100015185245 [1,1,0,0,0,0|2,0,0]=4 1381 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100015185245_100009814033 [1,1,0,0,0,0|2,0,0]=4 1382 B12R1.477 C=CC(=O)NCCc1cncs1 1626a_100016991637_100000185746 [1,1,0,0,0,0|1,0,1]=4 1383 B12R1.477 C=CC(=O)NCCc1cncs1 240690a_100016991637_200121576911 [1,1,0,0,0,0|1,0,1]=4 1384 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [1,1,0,0,0,0|2,0,0]=4 1385 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [1,1,0,0,0,0|2,0,0]=4 1386 B12R1.477 CCC(=O)COCc1cncs1 34a_100000725409_100015185245 [1,1,0,0,0,0|2,0,0]=4 1387 B12R1.477 CCC(=O)CSCc1cncs1 62a_100000747405_100015185245 [1,1,0,0,0,0|2,0,0]=4 1388 B12R1.477 CCC(=O)CSCc1cncs1 62a_100015185245_100000747405 [1,1,0,0,0,0|2,0,0]=4 1389 B12R1.477 CCC(=O)NCCc1cccs1 11a_100000203755_100000210414 [1,1,0,0,0,0|2,0,0]=4 1390 B12R1.477 CCC(=O)NCCc1cccs1 1626a_100000203755_100000210414 [1,1,0,0,0,0|2,0,0]=4 1391 B12R1.477 CCC(=O)NCCc1cccs1 240690a_100000203755_100000210414 [1,1,0,0,0,0|2,0,0]=4 1392 B12R1.477 CCC(=O)NCCc1cccs1 527a_100000203755_100000210414 [1,1,0,0,0,0|2,0,0]=4 1393 B12R1.477 CCC(=O)NCCc1cncs1 11a_100016991637_100000210414 [1,1,0,0,0,0|1,0,0]=3 1394 B12R1.477 CCC(=O)NCCc1cncs1 1626a_100016991637_100000210414 [1,1,0,0,0,0|1,0,0]=3 1395 B12R1.477 CCC(=O)NCCc1cncs1 240690a_100016991637_100000210414 [1,1,0,0,0,0|1,0,0]=3 1396 B12R1.477 CCC(=O)NCCc1cncs1 527a_100016991637_100000210414 [1,1,0,0,0,0|1,0,0]=3 1397 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [1,1,0,0,0,0|2,0,0]=4 1398 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [1,1,0,0,0,0|2,0,0]=4 1399 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [1,1,0,0,0,0|2,0,0]=4 1400 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [1,1,0,0,0,0|2,0,0]=4 1401 B12R1.477 CNC(=O)CCSc1cncs1 62a_100000737683_100011934649 [1,1,0,0,0,0|2,0,0]=4 1402 B12R1.477 CNC(=O)CCSc1cncs1 62a_100011934649_100000737683 [1,1,0,0,0,0|2,0,0]=4 1403 B12R1.477 CNC(=O)CNCc1cncs1 207a_100000693194_100000749870 [1,1,0,0,0,0|2,0,0]=4 1404 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100000693194_100015185245 [1,1,0,0,0,0|2,0,0]=4 1405 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100016987365_100000183359 [1,1,0,0,0,0|2,0,0]=4 1406 B12R1.477 CNC(=O)CNCc1cncs1 270004a_100000693194_100000749870 [1,1,0,0,0,0|2,0,0]=4 1407 B12R1.477 CNC(=O)COCc1cncs1 34a_100000750040_100015185245 [1,1,0,0,0,0|2,0,0]=4 1408 B12R1.477 CNC(=O)CSCc1cncs1 62a_100000183359_100015185245 [1,1,0,0,0,0|2,0,0]=4 1409 B12R1.477 CNC(=O)CSCc1cncs1 62a_100015185245_100000183359 [1,1,0,0,0,0|2,0,0]=4 1410 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100000203755_106832991635 [1,1,0,0,0,0|2,0,0]=4 1411 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100102657272_100000203755 [1,1,0,0,0,0|2,0,0]=4 1412 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100000203755_100102657272 [1,1,0,0,0,0|2,0,0]=4 1413 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100102657272_100000203755 [1,1,0,0,0,0|2,0,0]=4 1414 B12R1.477 CNC(=O)NCCc1cccs1 512a_100000203755_100102657272 [1,1,0,0,0,0|2,0,0]=4 1415 B12R1.477 CNC(=O)NCCc1cccs1 512a_106832991638_100000203755 [1,1,0,0,0,0|2,0,0]=4 1416 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100016991637_106832991635 [1,1,0,0,0,0|1,0,0]=3 1417 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100102657272_100016991637 [1,1,0,0,0,0|1,0,0]=3 1418 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100016991637_100102657272 [1,1,0,0,0,0|1,0,0]=3 1419 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100102657272_100016991637 [1,1,0,0,0,0|1,0,0]=3 1420 B12R1.477 CNC(=O)NCCc1cncs1 512a_100016991637_100102657272 [1,1,0,0,0,0|1,0,0]=3 1421 B12R1.477 CNC(=O)NCCc1cncs1 512a_106832991638_100016991637 [1,1,0,0,0,0|1,0,0]=3 1422 B12R1.477 COC(=O)CCSc1cncs1 62a_100000204255_100011934649 [1,1,0,0,0,0|2,0,0]=4 1423 B12R1.477 COC(=O)CCSc1cncs1 62a_100011934649_100000204255 [1,1,0,0,0,0|2,0,0]=4 1424 B12R1.477 COC(=O)CNCc1cncs1 2230a_100016987365_100000747449 [1,1,0,0,0,0|2,0,0]=4 1425 B12R1.477 COC(=O)CSCc1cncs1 62a_100000747449_100015185245 [1,1,0,0,0,0|2,0,0]=4 1426 B12R1.477 COC(=O)CSCc1cncs1 62a_100015185245_100000747449 [1,1,0,0,0,0|2,0,0]=4 1427 B12R1.477 COC(=O)OCSc1cccs1 62a_100011215356_100000139417 [1,1,0,0,0,0|2,0,0]=4 1428 B12R1.477 COC(=O)OCSc1cnco1 62a_100020591547_100000139417 [1,1,0,0,0,0|1,1,0]=4 1429 B12R1.477 COC(=O)OCSc1cncs1 62a_100011934649_100000139417 [1,1,0,0,0,0|1,0,0]=3 1430 B12R1.477 COC(=O)OCSc1nncs1 62a_100000739804_100000139417 [1,1,0,0,0,0|2,0,0]=4 1431 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [1,1,0,0,0,0|2,0,0]=4 1432 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [1,1,0,0,0,0|2,0,0]=4 1433 B12R1.477 O=C(CO)NCCc1cccs1 240690a_100000203755_100000210174 [1,1,0,0,0,0|2,0,0]=4 1434 B12R1.477 O=C(CO)NCCc1cccs1 527a_100000203755_100000210174 [1,1,0,0,0,0|2,0,0]=4 1435 B12R1.477 O=C(CO)NCCc1cncs1 240690a_100016991637_100000210174 [1,1,0,0,0,0|1,0,0]=3 1436 B12R1.477 O=C(CO)NCCc1cncs1 527a_100016991637_100000210174 [1,1,0,0,0,0|1,0,0]=3 1437 B12R1.890 CS(=O)(=O)NCCc1cncs1 40a_100016991637_100000738038 [1,1,0,0,0,0|2,0,0]=4 1438 B12R1.353 C=CC(=O)CCc1scnc1C 1458a_100000185746_100000057103 [1,1,0,0,0,0|1,0,1]=4 1439 B12R1.353 CCC(=O)CCc1scnc1C 1458a_100000210414_100000057103 [1,1,0,0,0,0|1,0,1]=4 1440 B12R1.353 CCC(=O)CCc1scnc1C 1458a_100011934404_100000210202 [1,1,0,0,0,0|1,0,1]=4 1441 B12R1.353 CCN(C)CCc1scnc1C 2230a_100000225621_100000057103 [1,1,0,0,0,0|1,0,1]=4 1442 B12R1.353 CCN(C)CCc1scnc1C 2230a_100025748334_100000210202 [1,1,0,0,0,0|1,0,1]=4 1443 B12R1.353 CCN(C)CCc1scnc1C 269982a_100000225621_100000057103 [1,1,0,0,0,0|1,0,1]=4 1444 B12R1.353 CCN(C)CCc1scnc1C 269982a_100025748334_100000204670 [1,1,0,0,0,0|1,0,1]=4 1445 B12R1.353 CNC(=O)CCc1scnc1C 11a_106832991635_100011934404 [1,1,0,0,0,0|2,0,0]=4 1446 B12R1.353 CNC(=O)CCc1scnc1C 1626a_100102657272_100011934404 [1,1,0,0,0,0|2,0,0]=4 1447 B12R1.353 CNC(=O)CCc1scnc1C 240690a_100102657272_100011934404 [1,1,0,0,0,0|2,0,0]=4 1448 B12R1.353 CNC(=O)CCc1scnc1C 527a_100102657272_100011934404 [1,1,0,0,0,0|2,0,0]=4 1449 B12R1.372 C#CCOCCc1scnc1C 34a_100000210247_100000057103 [1,1,0,0,0,0|0,0,2]=4 1450 B12R1.372 C#CCOCCc1scnc1C 34a_100000211055_100000184674 [1,1,0,0,0,0|0,0,2]=4 1451 B12R1.372 C#CCOCCc1scnc1C 7a_100000211055_100000038162 [1,1,0,0,0,0|0,0,2]=4 1452 B12R1.372 C/C=C/CNCc1sccc1C 34a_100000238519_100102629194 [1,1,0,0,0,0|2,0,0]=4 1453 B12R1.372 C/C=C/COCc1ocnc1C 34a_100000717716_100102629194 [1,1,0,0,0,0|1,1,0]=4 1454 B12R1.372 C/C=C/COCc1ocnc1C 7a_100000717716_100102629194 [1,1,0,0,0,0|1,1,0]=4 1455 B12R1.372 C/C=C/COCc1sccc1C 34a_100000238368_100102629194 [1,1,0,0,0,0|2,0,0]=4 1456 B12R1.372 C/C=C/COCc1sccc1C 7a_100000238368_100102629194 [1,1,0,0,0,0|2,0,0]=4 1457 B12R1.372 C/C=C/COCc1scnc1Br 7a_100012000948_100102629194 [1,1,0,0,0,0|2,0,0]=4 1458 B12R1.372 C/C=C/COCc1scnc1C 34a_100000750112_100102629194 [1,1,0,0,0,0|1,0,0]=3 1459 B12R1.372 C/C=C/COCc1scnc1C 7a_100000750112_100102629194 [1,1,0,0,0,0|1,0,0]=3 1460 B12R1.372 C/C=C/COCc1snnc1C 34a_100016270725_100000732739 [1,1,0,0,0,0|2,0,0]=4 1461 B12R1.372 C/C=C/CSCc1snnc1C 62a_100000732739_100102629194 [1,1,0,0,0,0|2,0,0]=4 1462 B12R1.372 C/C=C/CSCc1snnc1C 62a_100102629194_100000732739 [1,1,0,0,0,0|2,0,0]=4 1463 B12R1.372 C=CCCCSc1scnc1C 62a_100009817116_100000757094 [1,1,0,0,0,0|1,0,1]=4 1464 B12R1.372 C=CCCCSc1scnc1C 62a_100011713584_100009817116 [1,1,0,0,0,0|1,0,1]=4 1465 B12R1.372 C=CCCNCc1scnc1C 207a_100015191253_100000764165 [1,1,0,0,0,0|1,0,1]=4 1466 B12R1.372 C=CCCNCc1scnc1C 2230a_100000752186_100000754431 [1,1,0,0,0,0|1,0,1]=4 1467 B12R1.372 C=CCCOCc1scnc1C 34a_100000750112_100000754431 [1,1,0,0,0,0|1,0,1]=4 1468 B12R1.372 C=CCCOCc1scnc1C 7a_100000750112_100000754431 [1,1,0,0,0,0|1,0,1]=4 1469 B12R1.372 C=CCNCCc1scnc1C 2230a_100000238517_100000210623 [1,1,0,0,0,0|1,0,1]=4 1470 B12R1.372 C=CCNCCc1scnc1C 2230a_100020586998_100000057103 [1,1,0,0,0,0|1,0,1]=4 1471 B12R1.372 C=CCNCCc1scnc1C 34a_100000238517_100015514636 [1,1,0,0,0,0|1,0,1]=4 1472 B12R1.372 C=CCOCCc1scnc1C 34a_100000211055_100015514636 [1,1,0,0,0,0|0,0,1]=3 1473 B12R1.372 C=CCOCCc1scnc1C 34a_200000210373_100000057103 [1,1,0,0,0,0|0,0,1]=3 1474 B12R1.372 C=CCOCCc1scnc1C 7a_100000211055_100015514636 [1,1,0,0,0,0|0,0,1]=3 1475 B12R1.372 C=CCSCCc1scnc1C 62a_100000057103_100000210623 [1,1,0,0,0,0|0,1,1]=4 1476 B12R1.372 C=CCSCCc1scnc1C 62a_100000210623_100000057103 [1,1,0,0,0,0|0,1,1]=4 1477 B12R1.372 C=COCCSc1sccc1C 62a_100000039644_100010247149 [1,1,0,0,0,0|1,0,1]=4 1478 B12R1.372 C=COCCSc1sccc1C 62a_100010247149_100000039644 [1,1,0,0,0,0|1,0,1]=4 1479 B12R1.372 C=COCCSc1scnc1C 62a_100000039644_100009817116 [1,1,0,0,0,0|0,0,1]=3 1480 B12R1.372 C=COCCSc1scnc1C 62a_100009817116_100000039644 [1,1,0,0,0,0|0,0,1]=3 1481 B12R1.372 CC#CCNCc1scnc1C 2230a_100000752186_100000748600 [1,1,0,0,0,0|1,0,1]=4 1482 B12R1.372 CC#CCOCc1scnc1C 34a_100000750112_100000748600 [1,1,0,0,0,0|1,0,1]=4 1483 B12R1.372 CC#CCOCc1scnc1C 7a_100000750112_100000748600 [1,1,0,0,0,0|1,0,1]=4 1484 B12R1.372 CC/C=C\CSc1scnc1C 62a_100009817116_100103147603 [1,1,0,0,0,0|2,0,0]=4 1485 B12R1.372 CC/C=C\CSc1scnc1C 62a_100103147603_100009817116 [1,1,0,0,0,0|2,0,0]=4 1486 B12R1.372 CC=CCNCc1sccc1C 2230a_100000238519_100000070051 [1,1,0,0,0,0|2,0,0]=4 1487 B12R1.372 CC=CCNCc1sccc1C 34a_100000238519_100000070051 [1,1,0,0,0,0|2,0,0]=4 1488 B12R1.372 CC=CCNCc1scnc1C 2230a_100000752186_100000070051 [1,1,0,0,0,0|1,0,0]=3 1489 B12R1.372 CC=CCNCc1snnc1C 2230a_100000732738_100000070051 [1,1,0,0,0,0|2,0,0]=4 1490 B12R1.372 CC=CCOCc1ocnc1C 34a_100000717716_100000070051 [1,1,0,0,0,0|1,1,0]=4 1491 B12R1.372 CC=CCOCc1ocnc1C 7a_100000717716_100000070051 [1,1,0,0,0,0|1,1,0]=4 1492 B12R1.372 CC=CCOCc1sccc1C 34a_100000238368_100000070051 [1,1,0,0,0,0|2,0,0]=4 1493 B12R1.372 CC=CCOCc1sccc1C 7a_100000238368_100000070051 [1,1,0,0,0,0|2,0,0]=4 1494 B12R1.372 CC=CCOCc1scnc1Br 7a_100012000948_100000070051 [1,1,0,0,0,0|2,0,0]=4 1495 B12R1.372 CC=CCOCc1scnc1C 34a_100000750112_100000070051 [1,1,0,0,0,0|1,0,0]=3 1496 B12R1.372 CC=CCOCc1scnc1C 7a_100000750112_100000070051 [1,1,0,0,0,0|1,0,0]=3 1497 B12R1.372 CC=CCSCc1snnc1C 62a_100000070051_100000732739 [1,1,0,0,0,0|2,0,0]=4 1498 B12R1.372 CC=CCSCc1snnc1C 62a_100000732739_100000070051 [1,1,0,0,0,0|2,0,0]=4 1499 B12R1.372 CCCCCSc1scnc1C 62a_100000210326_100009817116 [1,1,0,0,0,0|1,0,1]=4 1500 B12R1.372 CCCCCSc1scnc1C 62a_100009817116_100000210326 [1,1,0,0,0,0|1,0,1]=4 1501 B12R1.372 CCCCNCc1scnc1C 207a_100000102301_100000764165 [1,1,0,0,0,0|1,0,1]=4 1502 B12R1.372 CCCCNCc1scnc1C 2230a_100000752186_100000210211 [1,1,0,0,0,0|1,0,1]=4 1503 B12R1.372 CCCCOCc1scnc1C 34a_100000750112_100000210210 [1,1,0,0,0,0|1,0,1]=4 1504 B12R1.372 CCCCOCc1scnc1C 7a_100000750112_100000210211 [1,1,0,0,0,0|1,0,1]=4 1505 B12R1.372 CCCNCCc1scnc1C 2230a_100000238517_100000210303 [1,1,0,0,0,0|1,0,1]=4 1506 B12R1.372 CCCNCCc1scnc1C 34a_100000238517_100000210303 [1,1,0,0,0,0|1,0,1]=4 1507 B12R1.372 CCCOCCc1scnc1C 34a_100000210258_100000057103 [1,1,0,0,0,0|0,0,1]=3 1508 B12R1.372 CCCOCCc1scnc1C 34a_100000211055_100000210303 [1,1,0,0,0,0|0,0,1]=3 1509 B12R1.372 CCCOCCc1scnc1C 7a_100000211055_100000210303 [1,1,0,0,0,0|0,0,1]=3 1510 B12R1.372 CCCSCCc1scnc1C 62a_100000057103_100000210303 [1,1,0,0,0,0|0,1,1]=4 1511 B12R1.372 CCCSCCc1scnc1C 62a_100000210303_100000057103 [1,1,0,0,0,0|0,1,1]=4 1512 B12R1.372 CCOCCSc1sccc1C 62a_100000210147_100010247149 [1,1,0,0,0,0|1,0,1]=4 1513 B12R1.372 CCOCCSc1sccc1C 62a_100010247149_100011215890 [1,1,0,0,0,0|1,0,1]=4 1514 B12R1.372 CCOCCSc1scnc1C 62a_100000210147_100009817116 [1,1,0,0,0,0|0,0,1]=3 1515 B12R1.372 CCOCCSc1scnc1C 62a_100009817116_100011215890 [1,1,0,0,0,0|0,0,1]=3 1516 B12R1.372 CCOCSCc1snnc1C 62a_100000732739_100000739092 [1,1,0,0,0,0|1,0,1]=4 1517 B12R1.372 CCOCSCc1snnc1C 62a_100000739092_100000732739 [1,1,0,0,0,0|1,0,1]=4 1518 B12R1.372 CCSCCSc1scnc1C 62a_100000757381_100009817116 [1,1,0,0,0,0|0,1,1]=4 1519 B12R1.372 CCSCCSc1scnc1C 62a_100009817116_100000757381 [1,1,0,0,0,0|0,1,1]=4 1520 B12R1.372 COCCCSc1scnc1C 62a_100000709357_100009817116 [1,1,0,0,0,0|2,0,0]=4 1521 B12R1.372 COCCCSc1scnc1C 62a_100009817116_100000709357 [1,1,0,0,0,0|2,0,0]=4 1522 B12R1.372 COCCNCc1scnc1C 207a_100000209980_100000764165 [1,1,0,0,0,0|2,0,0]=4 1523 B12R1.372 COCCNCc1scnc1C 2230a_100000752186_100011201679 [1,1,0,0,0,0|2,0,0]=4 1524 B12R1.372 COCCOCc1scnc1C 34a_100000750112_100011201679 [1,1,0,0,0,0|2,0,0]=4 1525 B12R1.372 COCCOCc1scnc1C 7a_100000750112_100000233755 [1,1,0,0,0,0|2,0,0]=4 1526 B12R1.372 COCNCCc1scnc1C 2230a_100000238517_100000766300 [1,1,0,0,0,0|1,0,1]=4 1527 B12R1.372 COCSCCc1scnc1C 62a_100000057103_100000766300 [1,1,0,0,0,0|0,1,1]=4 1528 B12R1.372 COCSCCc1scnc1C 62a_100000766300_100000057103 [1,1,0,0,0,0|0,1,1]=4 1529 B12R1.372 CSCCNCc1scnc1C 207a_100020590264_100000764165 [1,1,0,0,0,0|2,0,0]=4 1530 B12R1.372 CSCCNCc1scnc1C 2230a_100000752186_100000751147 [1,1,0,0,0,0|2,0,0]=4 1531 B12R1.372 CSCCOCc1scnc1C 34a_100000750112_100000212216 [1,1,0,0,0,0|2,0,0]=4 1532 B12R1.372 CSCCOCc1scnc1C 7a_100000750112_100000212216 [1,1,0,0,0,0|2,0,0]=4 1533 B12R1.372 CSCNCCc1scnc1C 2230a_100000238517_100011218213 [1,1,0,0,0,0|1,0,1]=4 1534 B12R1.372 CSCNCCc1scnc1C 34a_100000238517_100011218213 [1,1,0,0,0,0|1,0,1]=4 1535 B12R1.372 CSCOCCc1scnc1C 34a_100000211055_100011218213 [1,1,0,0,0,0|0,0,1]=3 1536 B12R1.372 CSCSCCc1scnc1C 62a_100000057103_100011218213 [1,1,0,0,0,0|0,1,1]=4 1537 B12R1.372 CSCSCCc1scnc1C 62a_100011218213_100000057103 [1,1,0,0,0,0|0,1,1]=4 1538 B12R1.372 Cc1ccsc1SCCCC=O 62a_100010247149_200011292268 [1,1,0,0,0,0|2,0,0]=4 1539 B12R1.372 Cc1ccsc1SCCCC=O 62a_200011292268_100010247149 [1,1,0,0,0,0|2,0,0]=4 1540 B12R1.372 Cc1nccn1CCOCC=O 34a_100000702865_200009817547 [1,1,0,0,0,0|2,0,0]=4 1541 B12R1.372 Cc1nccn1CCOCC=O 7a_100000702865_200015260668 [1,1,0,0,0,0|2,0,0]=4 1542 B12R1.372 Cc1ncsc1CCNCC=O 2230a_100000238517_200015260668 [1,1,0,0,0,0|1,0,0]=3 1543 B12R1.372 Cc1ncsc1CCNCC=O 34a_100000238517_200009817547 [1,1,0,0,0,0|1,0,0]=3 1544 B12R1.372 Cc1ncsc1CCNCCF 2230a_100000238517_100011217306 [1,1,0,0,0,0|1,0,1]=4 1545 B12R1.372 Cc1ncsc1CCNCCF 34a_100000238517_100011217306 [1,1,0,0,0,0|1,0,1]=4 1546 B12R1.372 Cc1ncsc1CCNCCF 34a_100000724931_100000057103 [1,1,0,0,0,0|1,0,1]=4 1547 B12R1.372 Cc1ncsc1CCNCCO 2230a_100000238517_100000211926 [1,1,0,0,0,0|1,0,1]=4 1548 B12R1.372 Cc1ncsc1CCNCCO 2230a_100016997473_100000057103 [1,1,0,0,0,0|1,0,1]=4 1549 B12R1.372 Cc1ncsc1CCNCCO 34a_100000238517_100000211926 [1,1,0,0,0,0|1,0,1]=4 1550 B12R1.372 Cc1ncsc1CCNCCO 34a_100016990907_100000057103 [1,1,0,0,0,0|1,0,1]=4 1551 B12R1.372 Cc1ncsc1CCOCC#N 7a_100000211055_100011215382 [1,1,0,0,0,0|0,0,2]=4 1552 B12R1.372 Cc1ncsc1CCOCC=O 34a_100000211055_200009817547 [1,1,0,0,0,0|0,0,0]=2 1553 B12R1.372 Cc1ncsc1CCOCC=O 7a_100000211055_200015260668 [1,1,0,0,0,0|0,0,0]=2 1554 B12R1.372 Cc1ncsc1CCOCCBr 34a_100000211926_100000057103 [1,1,0,0,0,0|0,0,1]=3 1555 B12R1.372 Cc1ncsc1CCOCCF 34a_100000211055_100011217306 [1,1,0,0,0,0|0,0,1]=3 1556 B12R1.372 Cc1ncsc1CCOCCF 7a_100000211055_100011217306 [1,1,0,0,0,0|0,0,1]=3 1557 B12R1.372 Cc1ncsc1CCOCCN 34a_100000210304_100000057103 [1,1,0,0,0,0|0,0,1]=3 1558 B12R1.372 Cc1ncsc1CCOCCO 34a_100000211055_100000211926 [1,1,0,0,0,0|0,0,1]=3 1559 B12R1.372 Cc1ncsc1CCOCCO 7a_100000211055_100000211926 [1,1,0,0,0,0|0,0,1]=3 1560 B12R1.372 Cc1ncsc1CCSCC=O 62a_100000057103_200015260668 [1,1,0,0,0,0|0,1,0]=3 1561 B12R1.372 Cc1ncsc1CCSCC=O 62a_200015260668_100000057103 [1,1,0,0,0,0|0,1,0]=3 1562 B12R1.372 Cc1ncsc1CCSCCF 62a_100000057103_100011217306 [1,1,0,0,0,0|0,1,1]=4 1563 B12R1.372 Cc1ncsc1CCSCCF 62a_100011217306_100000057103 [1,1,0,0,0,0|0,1,1]=4 1564 B12R1.372 Cc1ncsc1CCSCCO 62a_100000057103_100000211926 [1,1,0,0,0,0|0,1,1]=4 1565 B12R1.372 Cc1ncsc1CCSCCO 62a_100000211926_100000057103 [1,1,0,0,0,0|0,1,1]=4 1566 B12R1.372 Cc1ncsc1SCCCC=O 62a_100009817116_200011292268 [1,1,0,0,0,0|1,0,0]=3 1567 B12R1.372 Cc1ncsc1SCCCC=O 62a_200011292268_100009817116 [1,1,0,0,0,0|1,0,0]=3 1568 B12R1.456 C/C=C/CSc1sc(nc1C)C 62a_100009814099_100102629194 [1,1,0,0,0,0|2,0,0]=4 1569 B12R1.456 C/C=C/CSc1sc(nc1C)C 62a_100102629194_100009814099 [1,1,0,0,0,0|2,0,0]=4 1570 B12R1.456 C/C=C/CSc1sc(nc1C)N 62a_100102629194_100159269596 [1,1,0,0,0,0|2,0,0]=4 1571 B12R1.456 C/C=C/CSc1sc(nc1C)N 62a_100159269596_100102629194 [1,1,0,0,0,0|2,0,0]=4 1572 B12R1.456 CC=CCSc1sc(nc1C)C 62a_100000070051_100009814099 [1,1,0,0,0,0|2,0,0]=4 1573 B12R1.456 CC=CCSc1sc(nc1C)C 62a_100009814099_100000070051 [1,1,0,0,0,0|2,0,0]=4 1574 B12R1.456 CC=CCSc1sc(nc1C)N 62a_100000070051_100159269596 [1,1,0,0,0,0|2,0,0]=4 1575 B12R1.456 CC=CCSc1sc(nc1C)N 62a_100159269596_100000070051 [1,1,0,0,0,0|2,0,0]=4 1576 B12R1.456 CCOCSc1sc(nc1C)C 62a_100000739092_100009814099 [1,1,0,0,0,0|1,0,1]=4 1577 B12R1.456 CCOCSc1sc(nc1C)C 62a_100009814099_100000739092 [1,1,0,0,0,0|1,0,1]=4 1578 B12R1.456 CCOCSc1sc(nc1C)N 62a_100000739092_100159269596 [1,1,0,0,0,0|1,0,1]=4 1579 B12R1.456 CCOCSc1sc(nc1C)N 62a_100159269596_100000739092 [1,1,0,0,0,0|1,0,1]=4 1580 B12R1.456 Cc1nc(c(s1)CNCC=O)C 2230a_100000761763_200015260668 [1,1,0,0,0,0|2,0,0]=4 1581 B12R1.456 Cc1nc(c(s1)COCC=O)C 34a_100000750043_200009817547 [1,1,0,0,0,0|2,0,0]=4 1582 B12R1.456 Cc1nc(c(s1)COCC=O)C 7a_100000750043_200015260668 [1,1,0,0,0,0|2,0,0]=4 1583 B12R1.456 Cc1nc(c(s1)CSCC=O)C 62a_100000760948_200015260668 [1,1,0,0,0,0|2,0,0]=4 1584 B12R1.456 Cc1nc(c(s1)CSCC=O)C 62a_200015260668_100000760948 [1,1,0,0,0,0|2,0,0]=4 1585 B12R1.456 Cc1nc(sc1COCC=O)Br 7a_100010264302_200015260668 [1,1,0,0,0,0|2,0,0]=4 1586 B12R1.527 CCOCCc1sc[n+](c1C)C 34a_100000085727_100000210202 [1,1,0,0,0,0|0,0,2]=4 1587 B12R1.527 CCOCCc1sc[n+](c1C)C 7a_100000085727_100000210202 [1,1,0,0,0,0|0,0,2]=4 1588 B12R1.81 CCc1nccn1CCC(=O)C 1458a_100000070787_100015185934 [0,1,0,0,1,0|2,0,0]=4 1589 B12R1.81 CCc1nccn1CCC(=O)C 1458a_100000740316_200000210301 [0,1,0,0,1,0|2,0,0]=4 1590 B12R1.81 CCc1nccn1CCC(=O)[13CH3] 1458a_100000740316_200025704644 [0,1,0,0,1,0|2,0,0]=4 1591 B12R1.129 Cc1ncsc1CNS(=O)(=O)C 40a_100000752186_100000738038 [0,1,0,0,1,0|2,0,0]=4 1592 B12R1.129 Cc1ncsc1COC(C)(C)C 34a_100000750112_100000210625 [0,1,0,0,1,0|1,0,1]=4 1593 B12R1.144 Cc1ncsc1[C@@H](N)CC(C)C 271570a_100015190218_100009817116 [0,1,0,0,1,0|1,0,1]=4 1594 B12R1.145 CC(=O)C(C)Sc1sccc1C 62a_100009814033_100010247149 [0,1,0,0,1,0|2,0,0]=4 1595 B12R1.145 CC(=O)C(C)Sc1sccc1C 62a_100010247149_100009814033 [0,1,0,0,1,0|2,0,0]=4 1596 B12R1.145 CC(=O)C(C)Sc1scnc1C 62a_100009814033_100009817116 [0,1,0,0,1,0|1,0,0]=3 1597 B12R1.145 CC(=O)C(C)Sc1scnc1C 62a_100009817116_100009814033 [0,1,0,0,1,0|1,0,0]=3 1598 B12R1.145 CC(=O)N(C)Cc1sccc1C 11a_100000695154_100015343762 [0,1,0,0,1,0|2,0,0]=4 1599 B12R1.145 CC(=O)N(C)Cc1sccc1C 1626a_100000695154_100015343762 [0,1,0,0,1,0|2,0,0]=4 1600 B12R1.145 CC(=O)N(C)Cc1sccc1C 240690a_100000695154_100015343762 [0,1,0,0,1,0|2,0,0]=4 1601 B12R1.145 CC(=O)N(C)Cc1sccc1C 527a_100000695154_100103153847 [0,1,0,0,1,0|2,0,0]=4 1602 B12R1.145 Cc1ncsc1SC(C)C(=O)N 62a_100000702099_100009817116 [0,1,0,0,1,0|2,0,0]=4 1603 B12R1.145 Cc1ncsc1SC(C)C(=O)N 62a_100009817116_100000702099 [0,1,0,0,1,0|2,0,0]=4 1604 B12R1.145 Cc1ncsc1SC(F)C(=O)N 62a_100009813875_100009817116 [0,1,0,0,1,0|2,0,0]=4 1605 B12R1.145 Cc1ncsc1SC(F)C(=O)N 62a_100009817116_100009813875 [0,1,0,0,1,0|2,0,0]=4 1606 B12R1.145 Cc1ncsc1SC(F)C(=O)[O-] 62a_100009817116_100020610796 [0,1,0,0,1,0|2,0,0]=4 1607 B12R1.145 Cc1ncsc1SC(F)C(=O)[O-] 62a_100020610796_100009817116 [0,1,0,0,1,0|2,0,0]=4 1608 B12R1.861 C=C(C)CSc1sc(nc1C)C 62a_100000748629_100009814099 [0,1,0,0,1,0|2,0,0]=4 1609 B12R1.861 C=C(C)CSc1sc(nc1C)C 62a_100009814099_100000211660 [0,1,0,0,1,0|2,0,0]=4 1610 B12R1.861 C=C(C)CSc1sc(nc1C)N 62a_100000748629_100159269596 [0,1,0,0,1,0|2,0,0]=4 1611 B12R1.861 C=C(C)CSc1sc(nc1C)N 62a_100159269596_100000211660 [0,1,0,0,1,0|2,0,0]=4 1612 B12R1.861 CC(=O)CCn1nc(nc1C)C 1458a_100000740236_200000210301 [0,1,0,0,1,0|2,0,0]=4 1613 B12R1.861 CC(=O)NCc1sc(nc1C)C 11a_100000761763_100015343762 [0,1,0,0,1,0|1,0,0]=3 1614 B12R1.861 CC(=O)NCc1sc(nc1C)C 1626a_100000761763_100015343762 [0,1,0,0,1,0|1,0,0]=3 1615 B12R1.861 CC(=O)NCc1sc(nc1C)C 240690a_100000761763_100015343762 [0,1,0,0,1,0|1,0,0]=3 1616 B12R1.861 CC(=O)NCc1sc(nc1C)C 527a_100000761763_100103153847 [0,1,0,0,1,0|1,0,0]=3 1617 B12R1.861 Cc1nc(c(s1)COC(C)C)C 34a_100000212225_100000760948 [0,1,0,0,1,0|1,0,1]=4 1618 B12R1.861 Cc1nc(c(s1)COC(C)C)C 34a_100000750043_100000210206 [0,1,0,0,1,0|1,0,1]=4 1619 B12R1.861 Cc1nc(c(s1)COC(C)C)C 7a_100000750043_100000210206 [0,1,0,0,1,0|1,0,1]=4 1620 B12R1.861 Cc1nc(c(s1)SCC(=O)N)C 62a_100000747473_100009814099 [0,1,0,0,1,0|2,0,0]=4 1621 B12R1.861 Cc1nc(c(s1)SCC(=O)N)C 62a_100009814099_100000747473 [0,1,0,0,1,0|2,0,0]=4 1622 B12R1.861 Cc1nc(c(s1)SCC(=O)[O-])C 62a_100009814099_100020667443 [0,1,0,0,1,0|2,0,0]=4 1623 B12R1.861 Cc1nc(c(s1)SCC(=O)[O-])C 62a_100020667443_100009814099 [0,1,0,0,1,0|2,0,0]=4 1624 B12R1.861 Cc1nc(n(n1)CCC(=O)[13CH3])C 1458a_100000740236_200025704644 [0,1,0,0,1,0|2,0,0]=4 1625 B12R1.861 Cc1nc(sc1COC(C)C)Br 7a_100010264302_100000210206 [0,1,0,0,1,0|1,0,1]=4 1626 B12R1.861 Cc1nc(sc1SCC(=O)N)N 62a_100000747473_100159269596 [0,1,0,0,1,0|2,0,0]=4 1627 B12R1.861 Cc1nc(sc1SCC(=O)N)N 62a_100159269596_100000747473 [0,1,0,0,1,0|2,0,0]=4 1628 B12R1.861 Cc1nc(sc1SCC(=O)[O-])N 62a_100020667443_100159269596 [0,1,0,0,1,0|2,0,0]=4 1629 B12R1.861 Cc1nc(sc1SCC(=O)[O-])N 62a_100159269596_100020667443 [0,1,0,0,1,0|2,0,0]=4 1630 B12R1.895 CC(=O)CCc1c(c[nH]c1C)C 1458a_100102525370_200000210301 [0,1,0,0,1,0|1,0,1]=4 1631 B12R1.895 CC(=O)CCc1c(n[nH]c1C)C 1458a_100000070787_100011219447 [0,1,0,0,1,0|2,0,0]=4 1632 B12R1.895 CC(=O)CCc1c(n[nH]c1C)C 1458a_100000189673_200000210301 [0,1,0,0,1,0|2,0,0]=4 1633 B12R1.895 CC(=O)CCc1c(noc1C)C 1458a_100000189609_200000210301 [0,1,0,0,1,0|2,0,0]=4 1634 B12R1.895 Cc1c[nH]c(c1CCC(=O)[13CH3])C 1458a_100102525370_200025704644 [0,1,0,0,1,0|1,0,1]=4 1635 B12R1.895 Cc1n[nH]c(c1CCC(=O)[13CH3])C 1458a_100000189673_200025704644 [0,1,0,0,1,0|2,0,0]=4 1636 B12R1.895 Cc1noc(c1CCC(=O)[13CH3])C 1458a_100000189609_200025704644 [0,1,0,0,1,0|2,0,0]=4 1637 B14R1.76 CC(=O)OCSc1cc(ncn1)CO 62a_100000076356_100000731546 [0,1,0,0,0,1|2,0,0]=4 1638 B14R1.76 CC(=O)OCSc1cc(ncn1)CO 62a_100000731546_100000076356 [0,1,0,0,0,1|2,0,0]=4 1639 B14R1.76 CC(=O)OCSc1ccnc(c1)CN 62a_100000076356_100000085674 [0,1,0,0,0,1|2,0,0]=4 1640 B14R1.76 CC(=O)OCSc1ccnc(c1)CN 62a_100000085674_100000076356 [0,1,0,0,0,1|2,0,0]=4 1641 B14R1.76 CC(=O)OCSc1ccnc(c1)CO 62a_100000076356_100000748867 [0,1,0,0,0,1|2,0,0]=4 1642 B14R1.76 CC(=O)OCSc1ccnc(c1)CO 62a_100000748867_100000076356 [0,1,0,0,0,1|2,0,0]=4 1643 B14R1.76 CCc1cc(ccn1)SCOC(=O)C 62a_100000076356_100009820011 [0,1,0,0,0,1|2,0,0]=4 1644 B14R1.76 CCc1cc(ccn1)SCOC(=O)C 62a_100009820011_100000076356 [0,1,0,0,0,1|2,0,0]=4 1645 B14R1.76 CCc1cc(ncn1)SCOC(=O)C 62a_100000076356_100000744278 [0,1,0,0,0,1|2,0,0]=4 1646 B14R1.76 CCc1cc(ncn1)SCOC(=O)C 62a_100000744278_100000076356 [0,1,0,0,0,1|2,0,0]=4 1647 B14R1.76 CNc1cc(ccn1)SCOC(=O)C 62a_100000076356_100009819592 [0,1,0,0,0,1|2,0,0]=4 1648 B14R1.76 CNc1cc(ccn1)SCOC(=O)C 62a_100009819592_100000076356 [0,1,0,0,0,1|2,0,0]=4 1649 B14R1.76 CNc1cc(ncn1)SCOC(=O)C 62a_100000076356_100000756605 [0,1,0,0,0,1|2,0,0]=4 1650 B14R1.76 CNc1cc(ncn1)SCOC(=O)C 62a_100000756605_100000076356 [0,1,0,0,0,1|2,0,0]=4 1651 B14R1.76 CNc1nccc(n1)SCOC(=O)C 62a_100000076356_100012000420 [0,1,0,0,0,1|2,0,0]=4 1652 B14R1.76 CNc1nccc(n1)SCOC(=O)C 62a_100012000420_100000076356 [0,1,0,0,0,1|2,0,0]=4 1653 B14R1.76 COc1cc(ccn1)OCOC(=O)C 34a_100012181050_100009813279 [0,1,0,0,0,1|2,0,0]=4 1654 B14R1.76 COc1cc(ccn1)SCOC(=O)C 62a_100000076356_100000117307 [0,1,0,0,0,1|2,0,0]=4 1655 B14R1.76 COc1cc(ccn1)SCOC(=O)C 62a_100000117307_100000076356 [0,1,0,0,0,1|2,0,0]=4 1656 B14R1.76 COc1cc(ncn1)SCOC(=O)C 62a_100000049997_100000076356 [0,1,0,0,0,1|2,0,0]=4 1657 B14R1.76 COc1cc(ncn1)SCOC(=O)C 62a_100000076356_100000049997 [0,1,0,0,0,1|2,0,0]=4 1658 B14R1.76 COc1nccc(n1)SCOC(=O)C 62a_100000069072_100000076356 [0,1,0,0,0,1|2,0,0]=4 1659 B14R1.76 COc1nccc(n1)SCOC(=O)C 62a_100000076356_100000069072 [0,1,0,0,0,1|2,0,0]=4 1660 B14R1.76 COc1ncnc(n1)SCOC(=O)C 62a_100000076356_200010750123 [0,1,0,0,0,1|2,0,0]=4 1661 B14R1.76 COc1ncnc(n1)SCOC(=O)C 62a_200010750123_100000076356 [0,1,0,0,0,1|2,0,0]=4 1662 B14R1.76 CSc1cc(ncn1)SCOC(=O)C 62a_100000076356_100011443430 [0,1,0,0,0,1|2,0,0]=4 1663 B14R1.76 CSc1cc(ncn1)SCOC(=O)C 62a_100011443430_100000076356 [0,1,0,0,0,1|2,0,0]=4 1664 B14R1.76 CSc1nccc(n1)SCOC(=O)C 62a_100000032126_100000076356 [0,1,0,0,0,1|2,0,0]=4 1665 B14R1.76 CSc1nccc(n1)SCOC(=O)C 62a_100000076356_100000032126 [0,1,0,0,0,1|2,0,0]=4 1666 B14R1.154 CC(=O)OCOc1ncnc(c1C)C 34a_100000697798_100009813279 [0,1,0,0,0,1|2,0,0]=4 1667 B14R1.154 CC(=O)OCSc1ccnc(c1C)C 62a_100000076356_100009846815 [0,1,0,0,0,1|2,0,0]=4 1668 B14R1.154 CC(=O)OCSc1ccnc(c1C)C 62a_100009846815_100000076356 [0,1,0,0,0,1|2,0,0]=4 1669 B14R1.154 CC(=O)OCSc1ccnc(c1Cl)C 62a_100000076356_100000698670 [0,1,0,0,0,1|2,0,0]=4 1670 B14R1.154 CC(=O)OCSc1ccnc(c1Cl)C 62a_100000698670_100000076356 [0,1,0,0,0,1|2,0,0]=4 1671 B14R1.154 CC(=O)OCSc1ccnc(c1F)C 62a_100000076356_100009849794 [0,1,0,0,0,1|2,0,0]=4 1672 B14R1.154 CC(=O)OCSc1ccnc(c1F)C 62a_100009849794_100000076356 [0,1,0,0,0,1|2,0,0]=4 1673 B14R1.154 CC(=O)OCSc1ccnc(c1N)C 62a_100000076356_100009885578 [0,1,0,0,0,1|2,0,0]=4 1674 B14R1.154 CC(=O)OCSc1ccnc(c1N)C 62a_100009885578_100000076356 [0,1,0,0,0,1|2,0,0]=4 1675 B14R1.154 CC(=O)OCSc1ncnc(c1C)C 62a_100000076356_100011438038 [0,1,0,0,0,1|2,0,0]=4 1676 B14R1.154 CC(=O)OCSc1ncnc(c1C)C 62a_100011438038_100000076356 [0,1,0,0,0,1|2,0,0]=4 1677 B14R1.154 CC(=O)OCSc1ncnc(c1F)C 62a_100000076356_100011671633 [0,1,0,0,0,1|2,0,0]=4 1678 B14R1.154 CC(=O)OCSc1ncnc(c1F)C 62a_100011671633_100000076356 [0,1,0,0,0,1|2,0,0]=4 1679 B14R1.1025 COC(=O)OCSc1cc(ncn1)C 62a_100000744208_100000139417 [0,1,0,0,0,1|2,0,0]=4 1680 B14R1.1025 COC(=O)OCSc1ccnc(c1)C 62a_100000758586_100000139417 [0,1,0,0,0,1|2,0,0]=4 1681 B14R1.1025 COC(=O)OCSc1ccnc(n1)C 62a_100000749937_100000139417 [0,1,0,0,0,1|2,0,0]=4 1682 B14R1.4250 CC(=O)NCCc1cc(nc(n1)C)O 1626a_103549770559_100015343762 [0,1,0,0,0,1|2,0,0]=4 1683 B14R1.4250 CC(=O)NCCc1cc(nc(n1)C)O 240690a_103549770559_100015343762 [0,1,0,0,0,1|2,0,0]=4 1684 B14R1.4250 CC(=O)OCSc1cc(nc(c1)C)C 62a_100000066820_100000076356 [0,1,0,0,0,1|2,0,0]=4 1685 B14R1.4250 CC(=O)OCSc1cc(nc(c1)C)C 62a_100000076356_100000066820 [0,1,0,0,0,1|2,0,0]=4 1686 B14R1.4250 CC(=O)OCSc1cc(nc(c1)Cl)C 62a_100000076356_100010068023 [0,1,0,0,0,1|2,0,0]=4 1687 B14R1.4250 CC(=O)OCSc1cc(nc(c1)Cl)C 62a_100010068023_100000076356 [0,1,0,0,0,1|2,0,0]=4 1688 B14R1.4250 CC(=O)OCSc1cc(nc(c1)F)C 62a_100000076356_100010006595 [0,1,0,0,0,1|2,0,0]=4 1689 B14R1.4250 CC(=O)OCSc1cc(nc(c1)F)C 62a_100010006595_100000076356 [0,1,0,0,0,1|2,0,0]=4 1690 B14R1.4250 CC(=O)OCSc1cc(nc(c1)N)C 62a_100000076356_100000076705 [0,1,0,0,0,1|2,0,0]=4 1691 B14R1.4250 CC(=O)OCSc1cc(nc(c1)N)C 62a_100000076705_100000076356 [0,1,0,0,0,1|2,0,0]=4 1692 B14R1.4250 CC(=O)OCSc1cc(nc(n1)C)C 62a_100000076356_100000736142 [0,1,0,0,0,1|2,0,0]=4 1693 B14R1.4250 CC(=O)OCSc1cc(nc(n1)C)C 62a_100000736142_100000076356 [0,1,0,0,0,1|2,0,0]=4 1694 B14R1.4250 CC(=O)OCSc1cc(nc(n1)C)N 62a_100000076356_100000761517 [0,1,0,0,0,1|2,0,0]=4 1695 B14R1.4250 CC(=O)OCSc1cc(nc(n1)C)N 62a_100000761517_100000076356 [0,1,0,0,0,1|2,0,0]=4 1696 B14R1.4250 CC(=O)OCSc1cc(nc(n1)C)O 62a_100000076356_106741647437 [0,1,0,0,0,1|2,0,0]=4 1697 B14R1.4250 CC(=O)OCSc1cc(nc(n1)N)C 62a_100000076356_100000183061 [0,1,0,0,0,1|2,0,0]=4 1698 B14R1.4250 CC(=O)OCSc1cc(nc(n1)N)C 62a_100000183061_100000076356 [0,1,0,0,0,1|2,0,0]=4 1699 B14R1.4250 CC(=O)OCSc1nc(nc(n1)C)C 62a_100000076356_100015468570 [0,1,0,0,0,1|2,0,0]=4 1700 B14R1.4250 CC(=O)OCSc1nc(nc(n1)C)C 62a_100015468570_100000076356 [0,1,0,0,0,1|2,0,0]=4 1701 B14R1.4250 CC(=O)OCSc1nc(nc(n1)N)C 62a_100000076356_200012022553 [0,1,0,0,0,1|2,0,0]=4 1702 B14R1.4250 CC(=O)OCSc1nc(nc(n1)N)C 62a_200012022553_100000076356 [0,1,0,0,0,1|2,0,0]=4 1703 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)C 62a_100000744208_100009818208 [0,1,0,0,0,1|2,0,0]=4 1704 B14R1.5978 CC(=O)OC(C)Sc1cc(ncn1)C 62a_100009818208_100000744208 [0,1,0,0,0,1|2,0,0]=4 1705 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)C 62a_100000758586_100009818208 [0,1,0,0,0,1|2,0,0]=4 1706 B14R1.5978 CC(=O)OC(C)Sc1ccnc(c1)C 62a_100009818208_100000758586 [0,1,0,0,0,1|2,0,0]=4 1707 B14R1.5978 CC(=O)OC(C)Sc1ccnc(n1)C 62a_100000749937_100009818208 [0,1,0,0,0,1|2,0,0]=4 1708 B14R1.5978 CC(=O)OC(C)Sc1ccnc(n1)C 62a_100009818208_100000749937 [0,1,0,0,0,1|2,0,0]=4 1709 B14R1.6072 CC(=O)OCOc1cc(ncc1Br)C 34a_100011016184_100009813279 [0,1,0,0,0,1|2,0,0]=4 1710 B14R1.6072 CC(=O)OCSc1cc(ncc1C)C 62a_100000076356_100009862788 [0,1,0,0,0,1|2,0,0]=4 1711 B14R1.6072 CC(=O)OCSc1cc(ncc1C)C 62a_100009862788_100000076356 [0,1,0,0,0,1|2,0,0]=4 1712 B14R1.6072 CC(=O)OCSc1cc(ncc1F)C 62a_100000076356_100009867690 [0,1,0,0,0,1|2,0,0]=4 1713 B14R1.6072 CC(=O)OCSc1cc(ncc1F)C 62a_100009867690_100000076356 [0,1,0,0,0,1|2,0,0]=4 1714 B14R1.6072 CC(=O)OCSc1cc(ncc1O)C 62a_100000076356_100009843476 [0,1,0,0,0,1|2,0,0]=4 1715 B14R1.6072 CC(=O)OCSc1cc(ncc1O)C 62a_100009843476_100000076356 [0,1,0,0,0,1|2,0,0]=4 1716 B14R1.6072 CC(=O)OCSc1nc(ncc1F)C 62a_100000059819_100000076356 [0,1,0,0,0,1|2,0,0]=4 1717 B14R1.6072 CC(=O)OCSc1nc(ncc1F)C 62a_100000076356_100000059819 [0,1,0,0,0,1|2,0,0]=4 1718 B14R1.6072 CC(=O)OCSc1nc(ncc1N)C 62a_100000076356_100009873743 [0,1,0,0,0,1|2,0,0]=4 1719 B14R1.6072 CC(=O)OCSc1nc(ncc1N)C 62a_100009873743_100000076356 [0,1,0,0,0,1|2,0,0]=4 1720 B14R1.96 CC(=O)OCOc1cccnc1CBr 34a_200020655725_100009813279 [0,1,0,0,0,1|2,0,0]=4 1721 B14R1.96 CC(=O)OCOc1cccnc1CO 34a_100000731849_100009813279 [0,1,0,0,0,1|2,0,0]=4 1722 B14R1.96 CC(=O)OCSc1cccnc1CN 62a_100000076356_100020591323 [0,1,0,0,0,1|2,0,0]=4 1723 B14R1.96 CC(=O)OCSc1cccnc1CN 62a_100020591323_100000076356 [0,1,0,0,0,1|2,0,0]=4 1724 B14R1.96 CC(=O)OCSc1cccnc1CO 62a_100000076356_100011996772 [0,1,0,0,0,1|2,0,0]=4 1725 B14R1.96 CC(=O)OCSc1cccnc1CO 62a_100011996772_100000076356 [0,1,0,0,0,1|2,0,0]=4 1726 B14R1.96 CC(=O)OCSc1ccncc1CO 62a_100000076356_100000117392 [0,1,0,0,0,1|2,0,0]=4 1727 B14R1.96 CC(=O)OCSc1ccncc1CO 62a_100000117392_100000076356 [0,1,0,0,0,1|2,0,0]=4 1728 B14R1.96 CC(=O)OCSc1nccnc1CN 62a_100000076356_100000729963 [0,1,0,0,0,1|2,0,0]=4 1729 B14R1.96 CC(=O)OCSc1nccnc1CN 62a_100000729963_100000076356 [0,1,0,0,0,1|2,0,0]=4 1730 B14R1.96 CC(=O)OCSc1nccnc1CO 62a_100000057004_100000076356 [0,1,0,0,0,1|2,0,0]=4 1731 B14R1.96 CC(=O)OCSc1nccnc1CO 62a_100000076356_100000057004 [0,1,0,0,0,1|2,0,0]=4 1732 B14R1.96 CCc1cnccc1SCOC(=O)C 62a_100000076356_100025704421 [0,1,0,0,0,1|2,0,0]=4 1733 B14R1.96 CCc1cnccc1SCOC(=O)C 62a_100025704421_100000076356 [0,1,0,0,0,1|2,0,0]=4 1734 B14R1.96 CCc1cncnc1SCOC(=O)C 62a_100000076356_200000100055 [0,1,0,0,0,1|2,0,0]=4 1735 B14R1.96 CCc1cncnc1SCOC(=O)C 62a_200000100055_100000076356 [0,1,0,0,0,1|2,0,0]=4 1736 B14R1.96 CCc1ncccc1SCOC(=O)C 62a_100000076356_100009877225 [0,1,0,0,0,1|2,0,0]=4 1737 B14R1.96 CCc1ncccc1SCOC(=O)C 62a_100009877225_100000076356 [0,1,0,0,0,1|2,0,0]=4 1738 B14R1.96 CCc1nccnc1SCOC(=O)C 62a_100000076356_100011995844 [0,1,0,0,0,1|2,0,0]=4 1739 B14R1.96 CCc1nccnc1SCOC(=O)C 62a_100011995844_100000076356 [0,1,0,0,0,1|2,0,0]=4 1740 B14R1.96 CCc1ncncc1SCOC(=O)C 62a_100000076356_100009816992 [0,1,0,0,0,1|2,0,0]=4 1741 B14R1.96 CCc1ncncc1SCOC(=O)C 62a_100009816992_100000076356 [0,1,0,0,0,1|2,0,0]=4 1742 B14R1.96 CNc1ncccc1SCOC(=O)C 62a_100000076356_100000700899 [0,1,0,0,0,1|2,0,0]=4 1743 B14R1.96 CNc1ncccc1SCOC(=O)C 62a_100000700899_100000076356 [0,1,0,0,0,1|2,0,0]=4 1744 B14R1.96 CNc1nccnc1SCOC(=O)C 62a_100000076356_100011529439 [0,1,0,0,0,1|2,0,0]=4 1745 B14R1.96 CNc1ncncc1SCOC(=O)C 62a_100000076356_200012180720 [0,1,0,0,0,1|2,0,0]=4 1746 B14R1.96 CNc1ncncc1SCOC(=O)C 62a_200012180720_100000076356 [0,1,0,0,0,1|2,0,0]=4 1747 B14R1.96 COc1cnccc1SCOC(=O)C 62a_100000076356_100016988167 [0,1,0,0,0,1|2,0,0]=4 1748 B14R1.96 COc1cnccc1SCOC(=O)C 62a_100016988167_100000076356 [0,1,0,0,0,1|2,0,0]=4 1749 B14R1.96 COc1cncnc1SCOC(=O)C 62a_100000076356_100012001275 [0,1,0,0,0,1|2,0,0]=4 1750 B14R1.96 COc1cncnc1SCOC(=O)C 62a_100012001275_100000076356 [0,1,0,0,0,1|2,0,0]=4 1751 B14R1.96 COc1ncccc1OCOC(=O)C 34a_100000698397_100009813279 [0,1,0,0,0,1|2,0,0]=4 1752 B14R1.96 COc1ncccc1SCOC(=O)C 62a_100000047025_100000076356 [0,1,0,0,0,1|2,0,0]=4 1753 B14R1.96 COc1ncccc1SCOC(=O)C 62a_100000076356_100000047025 [0,1,0,0,0,1|2,0,0]=4 1754 B14R1.96 COc1nccnc1SCOC(=O)C 62a_100000076356_100000749998 [0,1,0,0,0,1|2,0,0]=4 1755 B14R1.96 COc1nccnc1SCOC(=O)C 62a_100009858322_100000076356 [0,1,0,0,0,1|2,0,0]=4 1756 B14R1.96 COc1ncncc1SCOC(=O)C 62a_100000076356_100000719902 [0,1,0,0,0,1|2,0,0]=4 1757 B14R1.96 COc1ncncc1SCOC(=O)C 62a_100000719902_100000076356 [0,1,0,0,0,1|2,0,0]=4 1758 B14R1.96 CSc1ncccc1SCOC(=O)C 62a_100000076356_100011465278 [0,1,0,0,0,1|2,0,0]=4 1759 B14R1.96 CSc1ncccc1SCOC(=O)C 62a_100011465278_100000076356 [0,1,0,0,0,1|2,0,0]=4 1760 B14R1.337 CC(=O)OC(C)Sc1cccnc1C 62a_100000751574_100009818208 [0,1,0,0,0,1|2,0,0]=4 1761 B14R1.337 CC(=O)OC(C)Sc1cccnc1C 62a_100009818208_100000751574 [0,1,0,0,0,1|2,0,0]=4 1762 B14R1.337 CC(=O)OC(C)Sc1ccncc1C 62a_100000765111_100009818208 [0,1,0,0,0,1|2,0,0]=4 1763 B14R1.337 CC(=O)OC(C)Sc1ccncc1C 62a_100009818208_100000765111 [0,1,0,0,0,1|2,0,0]=4 1764 B14R1.337 CC(=O)OC(C)Sc1cncnc1C 62a_100009818208_100009819671 [0,1,0,0,0,1|2,0,0]=4 1765 B14R1.337 CC(=O)OC(C)Sc1cncnc1C 62a_100009819671_100009818208 [0,1,0,0,0,1|2,0,0]=4 1766 B14R1.337 CC(=O)OC(C)Sc1nccnc1C 62a_100009818208_100011999405 [0,1,0,0,0,1|2,0,0]=4 1767 B14R1.337 CC(=O)OC(C)Sc1nccnc1C 62a_100011999405_100009818208 [0,1,0,0,0,1|2,0,0]=4 1768 B14R1.337 CC(=O)OC(C)Sc1ncncc1C 62a_100009818208_100011998708 [0,1,0,0,0,1|2,0,0]=4 1769 B14R1.337 CC(=O)OC(C)Sc1ncncc1C 62a_100011998708_100009818208 [0,1,0,0,0,1|2,0,0]=4 1770 B14R1.837 COC(=O)OCSc1cccnc1C 62a_100000751574_100000139417 [0,1,0,0,0,1|2,0,0]=4 1771 B14R1.837 COC(=O)OCSc1ccncc1C 62a_100000765111_100000139417 [0,1,0,0,0,1|2,0,0]=4 1772 B14R1.837 COC(=O)OCSc1cncnc1C 62a_100009819671_100000139417 [0,1,0,0,0,1|2,0,0]=4 1773 B14R1.837 COC(=O)OCSc1nccnc1C 62a_100011999405_100000139417 [0,1,0,0,0,1|2,0,0]=4 1774 B14R1.837 COC(=O)OCSc1ncncc1C 62a_100011998708_100000139417 [0,1,0,0,0,1|2,0,0]=4 1775 B14R1.4464 CC(=O)OCOc1ccc(nc1C)Br 34a_100012002022_100009813279 [0,1,0,0,0,1|2,0,0]=4 1776 B14R1.4464 CC(=O)OCOc1ccc(nc1C)C 34a_100011218912_100009813279 [0,1,0,0,0,1|2,0,0]=4 1777 B14R1.4464 CC(=O)OCOc1ccc(nc1C)Cl 34a_100012184626_100009813279 [0,1,0,0,0,1|2,0,0]=4 1778 B14R1.4464 CC(=O)OCOc1ccc(nc1C)F 34a_100009881036_100009813279 [0,1,0,0,0,1|2,0,0]=4 1779 B14R1.4464 CC(=O)OCOc1ccc(nc1C)I 34a_100010233687_100009813279 [0,1,0,0,0,1|2,0,0]=4 1780 B14R1.4464 CC(=O)OCOc1cnc(nc1C)C 34a_100009864123_100009813279 [0,1,0,0,0,1|2,0,0]=4 1781 B14R1.4464 CC(=O)OCSc1ccc(nc1C)C 62a_100000076356_100009813853 [0,1,0,0,0,1|2,0,0]=4 1782 B14R1.4464 CC(=O)OCSc1ccc(nc1C)C 62a_100009813853_100000076356 [0,1,0,0,0,1|2,0,0]=4 1783 B14R1.4464 CC(=O)OCSc1ccc(nc1C)Cl 62a_100000062408_100000076356 [0,1,0,0,0,1|2,0,0]=4 1784 B14R1.4464 CC(=O)OCSc1ccc(nc1C)Cl 62a_100000076356_100000062408 [0,1,0,0,0,1|2,0,0]=4 1785 B14R1.4464 CC(=O)OCSc1ccc(nc1C)F 62a_100000076356_100000688911 [0,1,0,0,0,1|2,0,0]=4 1786 B14R1.4464 CC(=O)OCSc1ccc(nc1C)F 62a_100000688911_100000076356 [0,1,0,0,0,1|2,0,0]=4 1787 B14R1.4464 CC(=O)OCSc1ccc(nc1C)N 62a_100000076356_100000187202 [0,1,0,0,0,1|2,0,0]=4 1788 B14R1.4464 CC(=O)OCSc1ccc(nc1C)N 62a_100000187202_100000076356 [0,1,0,0,0,1|2,0,0]=4 1789 B14R1.4464 CC(=O)OCSc1ccc(nc1C)O 62a_100000076356_100000691680 [0,1,0,0,0,1|2,0,0]=4 1790 B14R1.4464 CC(=O)OCSc1ccc(nc1C)O 62a_100000691680_100000076356 [0,1,0,0,0,1|2,0,0]=4 1791 B14R1.4464 CC(=O)OCSc1cnc(nc1C)N 62a_100000076356_100000725598 [0,1,0,0,0,1|2,0,0]=4 1792 B14R1.4464 CC(=O)OCSc1cnc(nc1C)N 62a_100000725598_100000076356 [0,1,0,0,0,1|2,0,0]=4 1793 B14R1.4464 CC(=O)OCSc1ncc(nc1C)C 62a_100000065684_100000076356 [0,1,0,0,0,1|2,0,0]=4 1794 B14R1.4464 CC(=O)OCSc1ncc(nc1C)C 62a_100000076356_100000065684 [0,1,0,0,0,1|2,0,0]=4 1795 B14R1.4464 CC(=O)OCSc1ncc(nc1C)N 62a_100000076356_100009818570 [0,1,0,0,0,1|2,0,0]=4 1796 B14R1.4464 CC(=O)OCSc1ncc(nc1C)N 62a_100009818570_100000076356 [0,1,0,0,0,1|2,0,0]=4 1797 B14R1.4920 CC(=O)OCOc1c(ccnc1C)C 34a_100011934651_100009813279 [0,1,0,0,0,1|2,0,0]=4 1798 B14R1.4920 CC(=O)OCOc1c(ncnc1C)C 34a_100009878406_100009813279 [0,1,0,0,0,1|2,0,0]=4 1799 B14R1.4920 CC(=O)OCSc1c(ccnc1C)C 62a_100000076356_100012000501 [0,1,0,0,0,1|2,0,0]=4 1800 B14R1.4920 CC(=O)OCSc1c(ccnc1C)C 62a_100012000501_100000076356 [0,1,0,0,0,1|2,0,0]=4 1801 B14R1.4920 CC(=O)OCSc1c(ccnc1C)N 62a_100000076356_100010243816 [0,1,0,0,0,1|2,0,0]=4 1802 B14R1.4920 CC(=O)OCSc1c(ccnc1C)N 62a_100010243816_100000076356 [0,1,0,0,0,1|2,0,0]=4 1803 B14R1.4920 CC(=O)OCSc1c(cncc1C)C 62a_100000076356_100009817138 [0,1,0,0,0,1|2,0,0]=4 1804 B14R1.4920 CC(=O)OCSc1c(cncc1C)C 62a_100009817138_100000076356 [0,1,0,0,0,1|2,0,0]=4 1805 B14R1.4920 CC(=O)OCSc1c(nc[nH]c1=O)C 62a_100000076356_100011356812 [0,1,0,0,0,1|2,0,0]=4 1806 B14R1.4920 CC(=O)OCSc1c(nc[nH]c1=O)C 62a_100011356812_100000076356 [0,1,0,0,0,1|2,0,0]=4 1807 B14R1.4920 CC(=O)OCSc1c(ncnc1C)C 62a_100000076356_100009820708 [0,1,0,0,0,1|2,0,0]=4 1808 B14R1.4920 CC(=O)OCSc1c(ncnc1C)C 62a_100009820708_100000076356 [0,1,0,0,0,1|2,0,0]=4 1809 B14R1.4920 CC(=O)OCSc1c(ncnc1Cl)C 62a_100000076356_100012356128 [0,1,0,0,0,1|2,0,0]=4 1810 B14R1.4920 CC(=O)OCSc1c(ncnc1Cl)C 62a_100012356128_100000076356 [0,1,0,0,0,1|2,0,0]=4 1811 B14R1.4920 CC(=O)OCSc1c(ncnc1N)C 62a_100000076356_100011996190 [0,1,0,0,0,1|2,0,0]=4 1812 B14R1.4920 CC(=O)OCSc1c(ncnc1N)C 62a_100011996190_100000076356 [0,1,0,0,0,1|2,0,0]=4 1813 B14R1.108 CC(=O)CCCSc1sccc1CN 62a_100000727803_100011215641 [0,1,0,0,0,1|2,0,0]=4 1814 B14R1.108 CC(=O)CCCSc1sccc1CN 62a_100011215641_100000727803 [0,1,0,0,0,1|2,0,0]=4 1815 B14R1.108 CC(=O)CCCSc1sccc1CO 62a_100009816922_100011215641 [0,1,0,0,0,1|2,0,0]=4 1816 B14R1.108 CC(=O)CCCSc1sccc1CO 62a_100011215641_100009816922 [0,1,0,0,0,1|2,0,0]=4 1817 B14R1.108 CC(=O)NCCSc1sccc1CN 62a_100000189650_100000727803 [0,1,0,0,0,1|2,0,0]=4 1818 B14R1.108 CC(=O)NCCSc1sccc1CN 62a_100000727803_100000189650 [0,1,0,0,0,1|2,0,0]=4 1819 B14R1.108 CC(=O)NCCSc1sccc1CO 62a_100000189650_100009816922 [0,1,0,0,0,1|2,0,0]=4 1820 B14R1.108 CC(=O)NCCSc1sccc1CO 62a_100009816922_100000189650 [0,1,0,0,0,1|2,0,0]=4 1821 B14R1.108 CC(=O)OCC=Cc1sccc1CN 271570a_200000047263_100000727803 [0,1,0,0,0,1|1,0,1]=4 1822 B14R1.108 CC(=O)OCC=Cc1sccc1CO 271570a_200000047263_100009816922 [0,1,0,0,0,1|1,0,1]=4 1823 B14R1.108 CC(=O)OCCSc1[nH]cnc1C=O 62a_100009814007_100015192532 [0,1,0,0,0,1|1,0,1]=4 1824 B14R1.108 CC(=O)OCCSc1[nH]cnc1C=O 62a_100015192532_100009814007 [0,1,0,0,0,1|1,0,1]=4 1825 B14R1.108 CC(=O)OCCSc1ccsc1CO 62a_100000702026_100009814007 [0,1,0,0,0,1|2,0,0]=4 1826 B14R1.108 CC(=O)OCCSc1ccsc1CO 62a_100009814007_100000702026 [0,1,0,0,0,1|2,0,0]=4 1827 B14R1.108 CC(=O)OCCSc1ncsc1CO 62a_100009814007_100012000948 [0,1,0,0,0,1|2,0,0]=4 1828 B14R1.108 CC(=O)OCCSc1ncsc1CO 62a_100012000948_100009814007 [0,1,0,0,0,1|2,0,0]=4 1829 B14R1.108 CC(=O)OCCSc1sccc1C#N 62a_100009814007_100009817073 [0,1,0,0,0,1|1,0,1]=4 1830 B14R1.108 CC(=O)OCCSc1sccc1C=O 62a_100009814007_100009816921 [0,1,0,0,0,1|1,0,1]=4 1831 B14R1.108 CC(=O)OCCSc1sccc1C=O 62a_100009816921_100009814007 [0,1,0,0,0,1|1,0,1]=4 1832 B14R1.108 CC(=O)OCCSc1sccc1CN 62a_100000727803_100009814007 [0,1,0,0,0,1|1,0,0]=3 1833 B14R1.108 CC(=O)OCCSc1sccc1CN 62a_100009814007_100000727803 [0,1,0,0,0,1|1,0,0]=3 1834 B14R1.108 CC(=O)OCCSc1sccc1CO 62a_100009814007_100009816922 [0,1,0,0,0,1|1,0,0]=3 1835 B14R1.108 CC(=O)OCCSc1sccc1CO 62a_100009816922_100009814007 [0,1,0,0,0,1|1,0,0]=3 1836 B14R1.108 CCc1ccsc1C=CCOC(=O)C 271570a_200000047263_200009875468 [0,1,0,0,0,1|1,0,1]=4 1837 B14R1.108 CCc1ccsc1SCCCC(=O)C 62a_100011215641_200009875468 [0,1,0,0,0,1|2,0,0]=4 1838 B14R1.108 CCc1ccsc1SCCCC(=O)C 62a_200009875468_100011215641 [0,1,0,0,0,1|2,0,0]=4 1839 B14R1.108 CCc1ccsc1SCCNC(=O)C 62a_100000189650_200009875468 [0,1,0,0,0,1|2,0,0]=4 1840 B14R1.108 CCc1ccsc1SCCNC(=O)C 62a_200009875468_100000189650 [0,1,0,0,0,1|2,0,0]=4 1841 B14R1.108 CCc1ccsc1SCCOC(=O)C 62a_100009814007_200009875468 [0,1,0,0,0,1|1,0,0]=3 1842 B14R1.108 CCc1ccsc1SCCOC(=O)C 62a_200009875468_100009814007 [0,1,0,0,0,1|1,0,0]=3 1843 B14R1.108 CCc1ccsc1SCCOC(=O)N 62a_200009875468_200011214921 [0,1,0,0,0,1|2,0,0]=4 1844 B14R1.108 CCc1ccsc1SCCOC(=O)N 62a_200011214921_200009875468 [0,1,0,0,0,1|2,0,0]=4 1845 B14R1.108 CCc1nccn1CCOCC(=O)C 34a_100000211253_100015185934 [0,1,0,0,0,1|2,0,0]=4 1846 B14R1.108 CCn1nccc1COCOC(=O)C 34a_100011962870_100009813279 [0,1,0,0,0,1|2,0,0]=4 1847 B14R1.108 CCn1nccc1CSCOC(=O)C 62a_100000076356_100025719316 [0,1,0,0,0,1|2,0,0]=4 1848 B14R1.108 CCn1nccc1CSCOC(=O)C 62a_100025719316_100000076356 [0,1,0,0,0,1|2,0,0]=4 1849 B14R1.108 CCn1nccc1OCCOC(=O)C 34a_100012181048_100009814007 [0,1,0,0,0,1|2,0,0]=4 1850 B14R1.108 CCn1nccc1SCCOC(=O)C 62a_100000728327_100009814007 [0,1,0,0,0,1|2,0,0]=4 1851 B14R1.108 CCn1nccc1SCCOC(=O)C 62a_100009814007_100000728327 [0,1,0,0,0,1|2,0,0]=4 1852 B14R1.108 CCn1ncnc1SCCOC(=O)C 62a_100009814007_100009879425 [0,1,0,0,0,1|2,0,0]=4 1853 B14R1.108 CCn1ncnc1SCCOC(=O)C 62a_100009879425_100009814007 [0,1,0,0,0,1|2,0,0]=4 1854 B14R1.108 COc1n[nH]cc1SCCOC(=O)C 62a_100009814007_100010982843 [0,1,0,0,0,1|2,0,0]=4 1855 B14R1.108 CSc1sccc1SCCOC(=O)C 62a_100009814007_200010341309 [0,1,0,0,0,1|2,0,0]=4 1856 B14R1.108 CSc1sccc1SCCOC(=O)C 62a_200010341309_100009814007 [0,1,0,0,0,1|2,0,0]=4 1857 B14R1.108 NC(=O)OCCSc1sccc1CO 62a_100009816922_200011214921 [0,1,0,0,0,1|2,0,0]=4 1858 B14R1.108 NC(=O)OCCSc1sccc1CO 62a_200011214921_100009816922 [0,1,0,0,0,1|2,0,0]=4 1859 B14R1.108 NCc1ccsc1SCCOC(=O)N 62a_100000727803_200011214921 [0,1,0,0,0,1|2,0,0]=4 1860 B14R1.108 NCc1ccsc1SCCOC(=O)N 62a_200011214921_100000727803 [0,1,0,0,0,1|2,0,0]=4 1861 B14R1.167 C=C(C)CC(=O)CCc1scnc1C 1458a_100011934404_100000748629 [0,1,0,0,0,1|2,0,0]=4 1862 B14R1.167 C=C(C)CN(C)CCc1scnc1C 2230a_100000225649_100000057103 [0,1,0,0,0,1|2,0,0]=4 1863 B14R1.167 C=C(C)CN(C)CCc1scnc1C 2230a_100025748334_100000748629 [0,1,0,0,0,1|2,0,0]=4 1864 B14R1.167 C=C(C)CN(C)CCc1scnc1C 269982a_100000225649_100000057103 [0,1,0,0,0,1|2,0,0]=4 1865 B14R1.167 C=C(C)CN(C)CCc1scnc1C 269982a_100025748334_100000748629 [0,1,0,0,0,1|2,0,0]=4 1866 B14R1.167 CC(=CC(=O)CCc1scnc1C)C 1458a_100000211388_100000057103 [0,1,0,0,0,1|2,0,0]=4 1867 B14R1.167 CC(=CC(=O)CCc1scnc1C)Cl 1458a_200042562850_100000057103 [0,1,0,0,0,1|2,0,0]=4 1868 B14R1.167 CC(=CC(=O)CCc1scnc1C)I 1458a_100025716642_100000057103 [0,1,0,0,0,1|2,0,0]=4 1869 B14R1.167 CC(=O)NC(=O)CSc1scnc1C 62a_100009817116_100000183797 [0,1,0,0,0,1|1,0,1]=4 1870 B14R1.167 CC(=O)OC(C)SCc1ccnn1C 62a_100000691648_100009818208 [0,1,0,0,0,1|2,0,0]=4 1871 B14R1.167 CC(=O)OC(C)SCc1ccnn1C 62a_100009818208_100000691648 [0,1,0,0,0,1|2,0,0]=4 1872 B14R1.167 CC(=O)OC(C)SCc1nc[nH]c1C 62a_100000751220_100009818208 [0,1,0,0,0,1|1,0,1]=4 1873 B14R1.167 CC(=O)OC(C)SCc1nc[nH]c1C 62a_100009818208_100000751220 [0,1,0,0,0,1|1,0,1]=4 1874 B14R1.167 CC(=O)OC(C)SCc1ncoc1C 62a_100009818208_200000693990 [0,1,0,0,0,1|2,0,0]=4 1875 B14R1.167 CC(=O)OC(C)SCc1ncoc1C 62a_200000693990_100009818208 [0,1,0,0,0,1|2,0,0]=4 1876 B14R1.167 CC(=O)OC(C)SCc1nonc1C 62a_100009818208_200000044682 [0,1,0,0,0,1|2,0,0]=4 1877 B14R1.167 CC(=O)OC(C)SCc1nonc1C 62a_200000044682_100009818208 [0,1,0,0,0,1|2,0,0]=4 1878 B14R1.167 CC(=O)OC(C)SCc1snnc1C 62a_100000732739_100009818208 [0,1,0,0,0,1|1,0,0]=3 1879 B14R1.167 CC(=O)OC(C)SCc1snnc1C 62a_100009818208_100000732739 [0,1,0,0,0,1|1,0,0]=3 1880 B14R1.167 Cc1ncsc1CCC(=O)CC(=O)N 1458a_100011934404_100000187820 [0,1,0,0,0,1|2,0,0]=4 1881 B14R1.167 Cc1ncsc1CCC(=O)CC(=O)N 1458a_100134613110_100000057103 [0,1,0,0,0,1|2,0,0]=4 1882 B14R1.167 Cc1ncsc1CCC(=O)CC(=O)[O-] 1458a_100011934404_100020667443 [0,1,0,0,0,1|2,0,0]=4 1883 B14R1.167 Cc1ncsc1CCN(C)CC(=O)N 2230a_100000739694_100000057103 [0,1,0,0,0,1|2,0,0]=4 1884 B14R1.167 Cc1ncsc1CCN(C)CC(=O)N 2230a_100025748334_100000747473 [0,1,0,0,0,1|2,0,0]=4 1885 B14R1.167 Cc1ncsc1CCN(C)CC(=O)N 269982a_100025748334_100000187820 [0,1,0,0,0,1|2,0,0]=4 1886 B14R1.167 Cc1ncsc1CCN(C)CC(=O)O 269956a_100000746989_100000057103 [0,1,0,0,0,1|2,0,0]=4 1887 B14R1.167 Cc1ncsc1CCN(C)CC(=O)[O-] 269982a_100025748334_100020667443 [0,1,0,0,0,1|2,0,0]=4 1888 B14R1.238 CC(=O)CCN(C)Cc1sccc1C 269982a_100000695154_100000053229 [0,1,0,0,0,1|2,0,0]=4 1889 B14R1.238 CC(=O)NCC(=O)Cc1snnc1C 1458a_100000194580_100000732739 [0,1,0,0,0,1|2,0,0]=4 1890 B14R1.238 CC(=O)OCC(=O)Cc1ccnn1C 1458a_100000183556_100000691648 [0,1,0,0,0,1|2,0,0]=4 1891 B14R1.238 CC(=O)OCC(=O)Cc1nc[nH]c1C 1458a_100000183556_100000751220 [0,1,0,0,0,1|1,0,1]=4 1892 B14R1.238 CC(=O)OCC(=O)Cc1ncoc1C 1458a_100000183556_200000693990 [0,1,0,0,0,1|2,0,0]=4 1893 B14R1.238 CC(=O)OCC(=O)Cc1nonc1C 1458a_100000183556_200000044682 [0,1,0,0,0,1|2,0,0]=4 1894 B14R1.238 CC(=O)OCC(=O)Cc1snnc1C 1458a_100000183556_100000732739 [0,1,0,0,0,1|1,0,0]=3 1895 B14R1.238 CC(=O)OCN(C)Cc1c[nH]nc1C 269982a_100020588691_100000076356 [0,1,0,0,0,1|2,0,0]=4 1896 B14R1.238 CC(=O)OCN(C)Cc1ccnn1C 269982a_100000723423_100000076356 [0,1,0,0,0,1|2,0,0]=4 1897 B14R1.238 CC(=O)OCN(C)Cc1ccoc1C 269982a_100000745204_100000076356 [0,1,0,0,0,1|2,0,0]=4 1898 B14R1.238 CC(=O)OCN(C)Cc1nonc1C 269982a_200016994989_100000076356 [0,1,0,0,0,1|2,0,0]=4 1899 B14R1.238 CC(=O)OCN(C)Cc1occc1C 269982a_100000734364_100000076356 [0,1,0,0,0,1|1,1,0]=4 1900 B14R1.238 CC(=O)OCN(C)Cc1sccc1Br 269982a_100000767120_100000076356 [0,1,0,0,0,1|2,0,0]=4 1901 B14R1.238 CC(=O)OCN(C)Cc1sccc1C 269982a_100000695154_100000076356 [0,1,0,0,0,1|1,0,0]=3 1902 B14R1.238 CC(=O)SCC(=O)Cc1snnc1C 1458a_100000049016_100000732739 [0,1,0,0,0,1|1,1,0]=4 1903 B14R1.239 C=C(C)C(=O)NCCc1scnc1C 11a_100000238517_100000185857 [0,1,0,0,0,1|2,0,0]=4 1904 B14R1.239 C=C(C)C(=O)NCCc1scnc1C 1626a_100000238517_100000185857 [0,1,0,0,0,1|2,0,0]=4 1905 B14R1.239 C=C(C)C(C)NCCc1scnc1C 269862a_100000238517_100011216138 [0,1,0,0,0,1|2,0,0]=4 1906 B14R1.239 CC(=O)C(=O)CNCc1sccc1C 34a_100000238519_100011261029 [0,1,0,0,0,1|2,0,0]=4 1907 B14R1.239 CC(=O)C(=O)COCc1ocnc1C 34a_100000717716_100011261029 [0,1,0,0,0,1|1,1,0]=4 1908 B14R1.239 CC(=O)C(=O)COCc1sccc1C 34a_100000238368_100011261029 [0,1,0,0,0,1|2,0,0]=4 1909 B14R1.239 CC(=O)C(=O)COCc1scnc1C 34a_100000750112_100011261029 [0,1,0,0,0,1|1,0,0]=3 1910 B14R1.239 CC(=O)C(=O)CSCc1snnc1C 62a_100000732739_100011261029 [0,1,0,0,0,1|2,0,0]=4 1911 B14R1.239 CC(=O)C(=O)CSCc1snnc1C 62a_100011261029_100000732739 [0,1,0,0,0,1|2,0,0]=4 1912 B14R1.239 CC(=O)C(C)COCc1snnc1C 34a_100000032740_100000732739 [0,1,0,0,0,1|2,0,0]=4 1913 B14R1.239 CC(=O)C(C)COCc1snnc1C 7a_100000032740_100000732739 [0,1,0,0,0,1|2,0,0]=4 1914 B14R1.239 CC(=O)C(C)NCCc1scnc1C 2230a_100000238517_100009814033 [0,1,0,0,0,1|1,0,0]=3 1915 B14R1.239 CC(=O)C(C)OCCc1scnc1C 34a_100000212229_100000057103 [0,1,0,0,0,1|0,0,0]=2 1916 B14R1.239 CC(=O)C(C)OCCc1scnc1C 7a_100000211055_100000179758 [0,1,0,0,0,1|0,0,0]=2 1917 B14R1.239 CC(=O)C(C)OCCn1ccnc1C 7a_100000702865_100000179758 [0,1,0,0,0,1|2,0,0]=4 1918 B14R1.239 CC(=O)C(C)SCCc1scnc1C 62a_100000057103_100009814033 [0,1,0,0,0,1|0,1,0]=3 1919 B14R1.239 CC(=O)C(C)SCCc1scnc1C 62a_100009814033_100000057103 [0,1,0,0,0,1|0,1,0]=3 1920 B14R1.239 Cc1ncsc1CCNC(=O)C(=O)N 240690a_100000238517_100011215815 [0,1,0,0,0,1|2,0,0]=4 1921 B14R1.239 Cc1ncsc1CCNC(C)C(=O)N 2230a_100000238517_100000702099 [0,1,0,0,0,1|2,0,0]=4 1922 B14R1.239 Cc1ncsc1CCNC(C)C(=O)N 34a_100000238517_100000702099 [0,1,0,0,0,1|2,0,0]=4 1923 B14R1.239 Cc1ncsc1CCNC(F)C(=O)N 2230a_100000238517_100009813875 [0,1,0,0,0,1|2,0,0]=4 1924 B14R1.239 Cc1ncsc1CCNC(F)C(=O)N 34a_100000238517_100009813875 [0,1,0,0,0,1|2,0,0]=4 1925 B14R1.239 Cc1ncsc1CCNC(F)C(=O)[O-] 34a_100000238517_100020610796 [0,1,0,0,0,1|2,0,0]=4 1926 B14R1.239 Cc1ncsc1CCN[C@@H](C)C(=O)O 269956a_100000743915_100000057103 [0,1,0,0,0,1|2,0,0]=4 1927 B14R1.239 Cc1ncsc1CCN[C@H](C)C(=O)N 2230a_100000119354_100000057103 [0,1,0,0,0,1|2,0,0]=4 1928 B14R1.239 Cc1ncsc1CCN[C@H](C)C(=O)N 34a_100000119354_100000057103 [0,1,0,0,0,1|2,0,0]=4 1929 B14R1.239 Cc1ncsc1CCOC(C)C(=O)N 34a_100000211055_100000702099 [0,1,0,0,0,1|1,0,0]=3 1930 B14R1.239 Cc1ncsc1CCOC(C)C(=O)N 7a_100000211055_100000702099 [0,1,0,0,0,1|1,0,0]=3 1931 B14R1.239 Cc1ncsc1CCOC(C)C(C)C 7a_100000748068_100000057103 [0,1,0,0,0,1|1,0,1]=4 1932 B14R1.239 Cc1ncsc1CCOC(F)C(=O)N 34a_100000211055_100009813875 [0,1,0,0,0,1|1,0,0]=3 1933 B14R1.239 Cc1ncsc1CCOC(F)C(=O)N 7a_100000211055_100009813875 [0,1,0,0,0,1|1,0,0]=3 1934 B14R1.239 Cc1ncsc1CCOC(F)C(=O)[O-] 34a_100000211055_100020610796 [0,1,0,0,0,1|1,0,0]=3 1935 B14R1.239 Cc1ncsc1CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000057103 [0,1,0,0,0,1|1,0,0]=3 1936 B14R1.239 Cc1ncsc1CCO[C@H](C)C(=O)N 34a_100000731257_100000057103 [0,1,0,0,0,1|1,0,0]=3 1937 B14R1.239 Cc1ncsc1CCO[C@H](C)C(=O)N 7a_100000731257_100000057103 [0,1,0,0,0,1|1,0,0]=3 1938 B14R1.239 Cc1ncsc1CCSC(C)C(=O)N 62a_100000057103_100000702099 [0,1,0,0,0,1|1,1,0]=4 1939 B14R1.239 Cc1ncsc1CCSC(C)C(=O)N 62a_100000702099_100000057103 [0,1,0,0,0,1|1,1,0]=4 1940 B14R1.239 Cc1ncsc1CCSC(F)C(=O)N 62a_100000057103_100009813875 [0,1,0,0,0,1|1,1,0]=4 1941 B14R1.239 Cc1ncsc1CCSC(F)C(=O)N 62a_100009813875_100000057103 [0,1,0,0,0,1|1,1,0]=4 1942 B14R1.239 Cc1ncsc1CCSC(F)C(=O)[O-] 62a_100000057103_100020610796 [0,1,0,0,0,1|1,1,0]=4 1943 B14R1.239 Cc1ncsc1CCSC(F)C(=O)[O-] 62a_100020610796_100000057103 [0,1,0,0,0,1|1,1,0]=4 1944 B14R1.330 Cc1ccsc1SCCOS(=O)(=O)C 62a_100010247149_200000036756 [0,1,0,0,0,1|2,0,0]=4 1945 B14R1.330 Cc1ccsc1SCCOS(=O)(=O)C 62a_200000036756_100010247149 [0,1,0,0,0,1|2,0,0]=4 1946 B14R1.330 Cc1ncsc1CCOCC(C)(C)C 34a_100000211055_100011219605 [0,1,0,0,0,1|1,0,1]=4 1947 B14R1.330 Cc1ncsc1CCOCC(C)(C)F 34a_100000211055_100011997219 [0,1,0,0,0,1|1,0,1]=4 1948 B14R1.330 Cc1ncsc1CCOCC(C)(C)F 34a_100000716592_100000057103 [0,1,0,0,0,1|1,0,1]=4 1949 B14R1.330 Cc1ncsc1CCOCC(C)(C)O 34a_100000211055_100000764493 [0,1,0,0,0,1|0,0,2]=4 1950 B14R1.330 Cc1ncsc1CCOCC(C)(C)O 7a_100000211055_100000764493 [0,1,0,0,0,1|0,0,2]=4 1951 B14R1.330 Cc1ncsc1CCOCC(C)(F)F 34a_100000068830_100000057103 [0,1,0,0,0,1|1,0,1]=4 1952 B14R1.330 Cc1ncsc1CCOCS(=O)(=O)[O-] 34a_100000211055_100009817235 [0,1,0,0,0,1|2,0,0]=4 1953 B14R1.330 Cc1ncsc1CCOC[Si](C)(C)C 7a_100000211055_100000233785 [0,1,0,0,0,1|1,1,0]=4 1954 B14R1.330 Cc1ncsc1CNCCS(=O)(=O)C 207a_100000740961_100000764165 [0,1,0,0,0,1|2,0,0]=4 1955 B14R1.330 Cc1ncsc1CNCCS(=O)(=O)C 2230a_100000752186_100000731031 [0,1,0,0,0,1|2,0,0]=4 1956 B14R1.330 Cc1ncsc1COCCS(=O)(=O)C 34a_100000750112_100000731031 [0,1,0,0,0,1|2,0,0]=4 1957 B14R1.330 Cc1ncsc1COCCS(=O)(=O)C 7a_100000750112_100000230027 [0,1,0,0,0,1|2,0,0]=4 1958 B14R1.330 Cc1ncsc1SCCCS(=O)(=O)C 62a_100000754308_100009817116 [0,1,0,0,0,1|2,0,0]=4 1959 B14R1.330 Cc1ncsc1SCCCS(=O)(=O)C 62a_100009817116_100000754308 [0,1,0,0,0,1|2,0,0]=4 1960 B14R1.330 Cc1ncsc1SCCNS(=O)(=O)C 62a_100000754112_100009817116 [0,1,0,0,0,1|2,0,0]=4 1961 B14R1.330 Cc1ncsc1SCCNS(=O)(=O)C 62a_100009817116_100000754112 [0,1,0,0,0,1|2,0,0]=4 1962 B14R1.330 Cc1ncsc1SCCOS(=O)(=O)C 62a_100009817116_200000036756 [0,1,0,0,0,1|1,0,0]=3 1963 B14R1.330 Cc1ncsc1SCCOS(=O)(=O)C 62a_200000036756_100009817116 [0,1,0,0,0,1|1,0,0]=3 1964 B14R1.330 Cc1ncsc1SCCO[Si](C)(C)C 62a_100009817116_200000032530 [0,1,0,0,0,1|1,1,0]=4 1965 B14R1.330 Cc1ncsc1SCCO[Si](C)(C)C 62a_200000032530_100009817116 [0,1,0,0,0,1|1,1,0]=4 1966 B14R1.819 C=C(C#N)COCCc1scnc1C 34a_100000211055_100000694840 [0,1,0,0,0,1|1,0,1]=4 1967 B14R1.819 C=CC(=O)OCCSc1sccc1C 62a_100009813456_100010247149 [0,1,0,0,0,1|1,0,1]=4 1968 B14R1.819 C=CC(=O)OCCSc1sccc1C 62a_100010247149_100009813456 [0,1,0,0,0,1|1,0,1]=4 1969 B14R1.819 C=CC(=O)OCCSc1scnc1C 62a_100009813456_100009817116 [0,1,0,0,0,1|0,0,1]=3 1970 B14R1.819 C=CC(=O)OCCSc1scnc1C 62a_100009817116_100009813456 [0,1,0,0,0,1|0,0,1]=3 1971 B14R1.819 C=CC(C)COCCc1scnc1C 34a_100011215527_100000057103 [0,1,0,0,0,1|1,0,1]=4 1972 B14R1.819 C=CC(C)COCCc1scnc1C 7a_100011215527_100000057103 [0,1,0,0,0,1|1,0,1]=4 1973 B14R1.819 CCC(=O)COCCc1scnc1C 34a_100000725409_100000057103 [0,1,0,0,0,1|0,0,0]=2 1974 B14R1.819 CCC(=O)COCCc1scnc1C 7a_100000211055_100000747405 [0,1,0,0,0,1|0,0,0]=2 1975 B14R1.819 CCC(=O)COCCn1ccnc1C 7a_100000702865_100000747405 [0,1,0,0,0,1|2,0,0]=4 1976 B14R1.819 CCC(=O)CSCCc1scnc1C 62a_100000057103_100000747405 [0,1,0,0,0,1|0,1,0]=3 1977 B14R1.819 CCC(=O)CSCCc1scnc1C 62a_100000747405_100000057103 [0,1,0,0,0,1|0,1,0]=3 1978 B14R1.819 CCC(C)COCCc1scnc1C 34a_100000211055_100000748023 [0,1,0,0,0,1|1,0,1]=4 1979 B14R1.819 CCC(C)COCCc1scnc1C 7a_100000211055_100000748023 [0,1,0,0,0,1|1,0,1]=4 1980 B14R1.819 CCC(O)COCCc1scnc1C 34a_100000211055_100011218378 [0,1,0,0,0,1|0,0,2]=4 1981 B14R1.819 CCC(O)COCCc1scnc1C 7a_100000211055_100011218378 [0,1,0,0,0,1|0,0,2]=4 1982 B14R1.819 CC[C@H](C)COCCc1scnc1C 34a_100000211055_100009816398 [0,1,0,0,0,1|1,0,1]=4 1983 B14R1.819 CC[C@H](C)COCCc1scnc1C 7a_100000211055_100009816398 [0,1,0,0,0,1|1,0,1]=4 1984 B14R1.819 CC[C@H](C)COCCc1scnc1C 7a_100009816381_100000057103 [0,1,0,0,0,1|1,0,1]=4 1985 B14R1.819 CNC(=O)CCCSc1sccc1C 62a_100000741757_100010247149 [0,1,0,0,0,1|2,0,0]=4 1986 B14R1.819 CNC(=O)CCCSc1sccc1C 62a_100010247149_100000741757 [0,1,0,0,0,1|2,0,0]=4 1987 B14R1.819 CNC(=O)CCCSc1scnc1C 62a_100000741757_100009817116 [0,1,0,0,0,1|1,0,0]=3 1988 B14R1.819 CNC(=O)CCCSc1scnc1C 62a_100009817116_100000741757 [0,1,0,0,0,1|1,0,0]=3 1989 B14R1.819 CNC(=O)CCNCc1sccc1C 207a_100000738227_100000210881 [0,1,0,0,0,1|2,0,0]=4 1990 B14R1.819 CNC(=O)CCNCc1sccc1C 2230a_100000238519_100000737683 [0,1,0,0,0,1|2,0,0]=4 1991 B14R1.819 CNC(=O)CCNCc1sccc1C 270004a_100000738227_100000210881 [0,1,0,0,0,1|2,0,0]=4 1992 B14R1.819 CNC(=O)CCNCc1sccc1C 34a_100000238519_100012179268 [0,1,0,0,0,1|2,0,0]=4 1993 B14R1.819 CNC(=O)CCNCc1scnc1C 207a_100000738227_100000764165 [0,1,0,0,0,1|1,0,0]=3 1994 B14R1.819 CNC(=O)CCNCc1scnc1C 2230a_100000752186_100000737683 [0,1,0,0,0,1|1,0,0]=3 1995 B14R1.819 CNC(=O)CCNCc1snnc1C 2230a_100000732738_100000737683 [0,1,0,0,0,1|2,0,0]=4 1996 B14R1.819 CNC(=O)CCNCc1snnc1C 2230a_100000738227_100000732739 [0,1,0,0,0,1|2,0,0]=4 1997 B14R1.819 CNC(=O)CCNCc1snnc1C 270004a_100000738227_100000732746 [0,1,0,0,0,1|2,0,0]=4 1998 B14R1.819 CNC(=O)CCNCc1snnc1C 34a_100000738227_100000732739 [0,1,0,0,0,1|2,0,0]=4 1999 B14R1.819 CNC(=O)CCOCc1ocnc1C 34a_100000717716_100012179268 [0,1,0,0,0,1|1,1,0]=4 2000 B14R1.819 CNC(=O)CCOCc1ocnc1C 7a_100000717716_100000737683 [0,1,0,0,0,1|1,1,0]=4 2001 B14R1.819 CNC(=O)CCOCc1sccc1C 34a_100000238368_100012179268 [0,1,0,0,0,1|2,0,0]=4 2002 B14R1.819 CNC(=O)CCOCc1sccc1C 7a_100000238368_100000737683 [0,1,0,0,0,1|2,0,0]=4 2003 B14R1.819 CNC(=O)CCOCc1scnc1Br 7a_100012000948_100000737683 [0,1,0,0,0,1|2,0,0]=4 2004 B14R1.819 CNC(=O)CCOCc1scnc1C 34a_100000750112_100012179268 [0,1,0,0,0,1|1,0,0]=3 2005 B14R1.819 CNC(=O)CCOCc1scnc1C 7a_100000750112_100000737683 [0,1,0,0,0,1|1,0,0]=3 2006 B14R1.819 CNC(=O)CCOCc1snnc1C 34a_100000754576_100000732739 [0,1,0,0,0,1|2,0,0]=4 2007 B14R1.819 CNC(=O)CCSCc1snnc1C 62a_100000732739_100000737683 [0,1,0,0,0,1|2,0,0]=4 2008 B14R1.819 CNC(=O)CCSCc1snnc1C 62a_100000737683_100000732739 [0,1,0,0,0,1|2,0,0]=4 2009 B14R1.819 CNC(=O)CNCCc1scnc1C 2230a_100000238517_100000183359 [0,1,0,0,0,1|1,0,0]=3 2010 B14R1.819 CNC(=O)CNCCc1scnc1C 2230a_100000693194_100000057103 [0,1,0,0,0,1|1,0,0]=3 2011 B14R1.819 CNC(=O)CNCCc1scnc1C 34a_100000238517_100000183359 [0,1,0,0,0,1|1,0,0]=3 2012 B14R1.819 CNC(=O)COCCc1scnc1C 34a_100000211055_100000183359 [0,1,0,0,0,1|0,0,0]=2 2013 B14R1.819 CNC(=O)COCCc1scnc1C 34a_100000750040_100000057103 [0,1,0,0,0,1|0,0,0]=2 2014 B14R1.819 CNC(=O)COCCc1scnc1C 7a_100000211055_100000183359 [0,1,0,0,0,1|0,0,0]=2 2015 B14R1.819 CNC(=O)COCCn1ccnc1C 34a_100000702865_100000183359 [0,1,0,0,0,1|2,0,0]=4 2016 B14R1.819 CNC(=O)COCCn1ccnc1C 7a_100000702865_100000183359 [0,1,0,0,0,1|2,0,0]=4 2017 B14R1.819 CNC(=O)CSCCc1scnc1C 62a_100000057103_100000183359 [0,1,0,0,0,1|0,1,0]=3 2018 B14R1.819 CNC(=O)CSCCc1scnc1C 62a_100000183359_100000057103 [0,1,0,0,0,1|0,1,0]=3 2019 B14R1.819 CNC(=O)OCCOc1ccnn1C 34a_100020632926_200011997002 [0,1,0,0,0,1|2,0,0]=4 2020 B14R1.819 CNC(=O)OCCSc1[nH]cnc1Cl 62a_100010200774_200011997002 [0,1,0,0,0,1|2,0,0]=4 2021 B14R1.819 CNC(=O)OCCSc1[nH]cnc1Cl 62a_200011997002_100010200774 [0,1,0,0,0,1|2,0,0]=4 2022 B14R1.819 CNC(=O)OCCSc1c[nH]nc1C 62a_100000692133_200011997002 [0,1,0,0,0,1|2,0,0]=4 2023 B14R1.819 CNC(=O)OCCSc1c[nH]nc1C 62a_200011997002_100000692133 [0,1,0,0,0,1|2,0,0]=4 2024 B14R1.819 CNC(=O)OCCSc1ccnn1C 62a_100000688441_200011997002 [0,1,0,0,0,1|2,0,0]=4 2025 B14R1.819 CNC(=O)OCCSc1ccnn1C 62a_200011997002_100000688441 [0,1,0,0,0,1|2,0,0]=4 2026 B14R1.819 CNC(=O)OCCSc1ccsc1C 62a_100000684487_200011997002 [0,1,0,0,0,1|2,0,0]=4 2027 B14R1.819 CNC(=O)OCCSc1ccsc1C 62a_200011997002_100000684487 [0,1,0,0,0,1|2,0,0]=4 2028 B14R1.819 CNC(=O)OCCSc1nc[nH]c1C 62a_100010186451_200011997002 [0,1,0,0,0,1|1,0,1]=4 2029 B14R1.819 CNC(=O)OCCSc1nc[nH]c1C 62a_200011997002_100010186451 [0,1,0,0,0,1|1,0,1]=4 2030 B14R1.819 CNC(=O)OCCSc1ncnn1C 62a_100000732653_200011997002 [0,1,0,0,0,1|2,0,0]=4 2031 B14R1.819 CNC(=O)OCCSc1ncnn1C 62a_200011997002_100000732653 [0,1,0,0,0,1|2,0,0]=4 2032 B14R1.819 CNC(=O)OCCSc1ncsc1C 62a_100000732656_200011997002 [0,1,0,0,0,1|2,0,0]=4 2033 B14R1.819 CNC(=O)OCCSc1ncsc1C 62a_200011997002_100000732656 [0,1,0,0,0,1|2,0,0]=4 2034 B14R1.819 CNC(=O)OCCSc1sccc1Br 62a_100012361411_200011997002 [0,1,0,0,0,1|2,0,0]=4 2035 B14R1.819 CNC(=O)OCCSc1sccc1Br 62a_200011997002_100012361411 [0,1,0,0,0,1|2,0,0]=4 2036 B14R1.819 CNC(=O)OCCSc1sccc1C 62a_100010247149_200011997002 [0,1,0,0,0,1|1,0,0]=3 2037 B14R1.819 CNC(=O)OCCSc1sccc1C 62a_200011997002_100010247149 [0,1,0,0,0,1|1,0,0]=3 2038 B14R1.819 CNC(=O)OCCSc1scnc1C 62a_100009817116_200011997002 [0,1,0,0,0,1|0,0,0]=2 2039 B14R1.819 CNC(=O)OCCSc1scnc1C 62a_200011997002_100009817116 [0,1,0,0,0,1|0,0,0]=2 2040 B14R1.819 COC(=O)/C=C/CSc1scnc1C 62a_100000742655_100009817116 [0,1,0,0,0,1|1,0,1]=4 2041 B14R1.819 COC(=O)/C=C/CSc1scnc1C 62a_100009817116_100000742655 [0,1,0,0,0,1|1,0,1]=4 2042 B14R1.819 COC(=O)CCCSc1sccc1C 62a_100010247149_100011218270 [0,1,0,0,0,1|2,0,0]=4 2043 B14R1.819 COC(=O)CCCSc1sccc1C 62a_100011218270_100010247149 [0,1,0,0,0,1|2,0,0]=4 2044 B14R1.819 COC(=O)CCCSc1scnc1C 62a_100009817116_100011218270 [0,1,0,0,0,1|1,0,0]=3 2045 B14R1.819 COC(=O)CCCSc1scnc1C 62a_100011218270_100009817116 [0,1,0,0,0,1|1,0,0]=3 2046 B14R1.819 COC(=O)CCNCc1sccc1C 2230a_100000238519_100000204255 [0,1,0,0,0,1|2,0,0]=4 2047 B14R1.819 COC(=O)CCNCc1sccc1C 34a_100000238519_100000742370 [0,1,0,0,0,1|2,0,0]=4 2048 B14R1.819 COC(=O)CCNCc1scnc1C 2230a_100000752186_100000204255 [0,1,0,0,0,1|1,0,0]=3 2049 B14R1.819 COC(=O)CCNCc1snnc1C 2230a_100000732738_100000204255 [0,1,0,0,0,1|2,0,0]=4 2050 B14R1.819 COC(=O)CCOCc1ocnc1C 34a_100000717716_100000742370 [0,1,0,0,0,1|1,1,0]=4 2051 B14R1.819 COC(=O)CCOCc1ocnc1C 7a_100000717716_100000204255 [0,1,0,0,0,1|1,1,0]=4 2052 B14R1.819 COC(=O)CCOCc1sccc1C 34a_100000238368_100000742370 [0,1,0,0,0,1|2,0,0]=4 2053 B14R1.819 COC(=O)CCOCc1sccc1C 7a_100000238368_100000204255 [0,1,0,0,0,1|2,0,0]=4 2054 B14R1.819 COC(=O)CCOCc1scnc1Br 7a_100012000948_100000204255 [0,1,0,0,0,1|2,0,0]=4 2055 B14R1.819 COC(=O)CCOCc1scnc1C 34a_100000750112_100000742370 [0,1,0,0,0,1|1,0,0]=3 2056 B14R1.819 COC(=O)CCOCc1scnc1C 7a_100000750112_100000204255 [0,1,0,0,0,1|1,0,0]=3 2057 B14R1.819 COC(=O)CCSCc1snnc1C 62a_100000204255_100000732739 [0,1,0,0,0,1|2,0,0]=4 2058 B14R1.819 COC(=O)CCSCc1snnc1C 62a_100000732739_100000204255 [0,1,0,0,0,1|2,0,0]=4 2059 B14R1.819 COC(=O)CNCCc1scnc1C 2230a_100000238517_100000747449 [0,1,0,0,0,1|1,0,0]=3 2060 B14R1.819 COC(=O)CNCCc1scnc1C 34a_100000238517_100000747449 [0,1,0,0,0,1|1,0,0]=3 2061 B14R1.819 COC(=O)COCCc1scnc1C 34a_100000211055_100000747449 [0,1,0,0,0,1|0,0,0]=2 2062 B14R1.819 COC(=O)COCCc1scnc1C 7a_100000211055_100000747449 [0,1,0,0,0,1|0,0,0]=2 2063 B14R1.819 COC(=O)COCCn1ccnc1C 34a_100000702865_100000747449 [0,1,0,0,0,1|2,0,0]=4 2064 B14R1.819 COC(=O)COCCn1ccnc1C 7a_100000702865_100000747449 [0,1,0,0,0,1|2,0,0]=4 2065 B14R1.819 COC(=O)CSCCc1scnc1C 62a_100000057103_100000747449 [0,1,0,0,0,1|0,1,0]=3 2066 B14R1.819 COC(=O)CSCCc1scnc1C 62a_100000747449_100000057103 [0,1,0,0,0,1|0,1,0]=3 2067 B14R1.819 COC(=O)OCSCc1ccnn1C 62a_100000691648_100000139417 [0,1,0,0,0,1|2,0,0]=4 2068 B14R1.819 COC(=O)OCSCc1nc[nH]c1C 62a_100000751220_100000139417 [0,1,0,0,0,1|1,0,1]=4 2069 B14R1.819 COC(=O)OCSCc1ncoc1C 62a_200000693990_100000139417 [0,1,0,0,0,1|2,0,0]=4 2070 B14R1.819 COC(=O)OCSCc1nonc1C 62a_200000044682_100000139417 [0,1,0,0,0,1|2,0,0]=4 2071 B14R1.819 COC(=O)OCSCc1snnc1C 62a_100000732739_100000139417 [0,1,0,0,0,1|1,0,0]=3 2072 B14R1.819 COC(C)COCCc1scnc1C 34a_100000690652_100000057103 [0,1,0,0,0,1|0,0,2]=4 2073 B14R1.819 Cc1ncsc1CCOCC(C)CN 34a_100000744482_100000057103 [0,1,0,0,0,1|1,0,1]=4 2074 B14R1.819 Cc1ncsc1CCOCC(Cl)CCl 34a_100000033668_100000057103 [0,1,0,0,0,1|1,0,1]=4 2075 B14R1.819 Cc1ncsc1CCOCC(O)CO 34a_100000211055_100011219619 [0,1,0,0,0,1|0,0,2]=4 2076 B14R1.819 Cc1ncsc1CCOCC(O)CO 7a_100000211055_100011219619 [0,1,0,0,0,1|0,0,2]=4 2077 B14R1.819 Cc1ncsc1CCOC[C@@H](C)CO 34a_100000211055_100000059175 [0,1,0,0,0,1|0,0,2]=4 2078 B14R1.819 Cc1ncsc1CCOC[C@@H](C)CO 7a_100000211055_100000059175 [0,1,0,0,0,1|0,0,2]=4 2079 B14R1.819 Cc1ncsc1CCOC[C@@H](O)CF 34a_100000211055_100015614560 [0,1,0,0,0,1|0,0,2]=4 2080 B14R1.819 Cc1ncsc1CCOC[C@@H](O)CF 7a_100000211055_100015614560 [0,1,0,0,0,1|0,0,2]=4 2081 B14R1.819 Cc1ncsc1CCOC[C@@H](O)CO 34a_100000211055_100009815848 [0,1,0,0,0,1|0,0,2]=4 2082 B14R1.819 Cc1ncsc1CCOC[C@@H](O)CO 7a_100000211055_100009815848 [0,1,0,0,0,1|0,0,2]=4 2083 B14R1.819 Cc1ncsc1CCOC[C@H](F)CN 34a_100015665980_100000057103 [0,1,0,0,0,1|1,0,1]=4 2084 B14R1.4379 C=C(C)CCNCc1sc(nc1C)C 2230a_100000761763_100000730704 [0,1,0,0,0,1|2,0,0]=4 2085 B14R1.4379 C=C(C)CCOCc1sc(nc1C)Br 7a_100010264302_100000730704 [0,1,0,0,0,1|2,0,0]=4 2086 B14R1.4379 C=C(C)CCOCc1sc(nc1C)C 34a_100000750043_100000730704 [0,1,0,0,0,1|2,0,0]=4 2087 B14R1.4379 C=C(C)CCOCc1sc(nc1C)C 34a_100000764851_100000760948 [0,1,0,0,0,1|2,0,0]=4 2088 B14R1.4379 C=C(C)CCOCc1sc(nc1C)C 7a_100000750043_100000730704 [0,1,0,0,0,1|2,0,0]=4 2089 B14R1.4379 C=C(C)CCSCc1sc(nc1C)C 62a_100000730704_100000760948 [0,1,0,0,0,1|2,0,0]=4 2090 B14R1.4379 C=C(C)CCSCc1sc(nc1C)C 62a_100000760948_100000730704 [0,1,0,0,0,1|2,0,0]=4 2091 B14R1.4379 CC(=CCCSc1sc(nc1C)C)C 62a_100009814099_100011217483 [0,1,0,0,0,1|2,0,0]=4 2092 B14R1.4379 CC(=CCCSc1sc(nc1C)C)C 62a_100011217483_100009814099 [0,1,0,0,0,1|2,0,0]=4 2093 B14R1.4379 CC(=CCCSc1sc(nc1C)N)C 62a_100011217483_100159269596 [0,1,0,0,0,1|2,0,0]=4 2094 B14R1.4379 CC(=CCCSc1sc(nc1C)N)C 62a_100159269596_100011217483 [0,1,0,0,0,1|2,0,0]=4 2095 B14R1.4379 CC(=CCNCc1sc(nc1C)C)C 2230a_100000761763_100000761012 [0,1,0,0,0,1|2,0,0]=4 2096 B14R1.4379 CC(=CCNCc1sc(nc1C)C)C 34a_100000718196_100000760948 [0,1,0,0,0,1|2,0,0]=4 2097 B14R1.4379 CC(=CCOCc1sc(nc1C)Br)C 7a_100010264302_100000761012 [0,1,0,0,0,1|2,0,0]=4 2098 B14R1.4379 CC(=CCOCc1sc(nc1C)C)C 34a_100000750043_100000761012 [0,1,0,0,0,1|2,0,0]=4 2099 B14R1.4379 CC(=CCOCc1sc(nc1C)C)C 34a_100000753907_100000760948 [0,1,0,0,0,1|2,0,0]=4 2100 B14R1.4379 CC(=CCOCc1sc(nc1C)C)C 7a_100000750043_100000761012 [0,1,0,0,0,1|2,0,0]=4 2101 B14R1.4379 CC(=CCSCc1sc(nc1C)C)C 62a_100000760948_100000761012 [0,1,0,0,0,1|2,0,0]=4 2102 B14R1.4379 CC(=CCSCc1sc(nc1C)C)C 62a_100000761012_100000760948 [0,1,0,0,0,1|2,0,0]=4 2103 B14R1.4379 CC(=O)CCCSc1sc(cc1C)C 62a_100000689295_100011215641 [0,1,0,0,0,1|2,0,0]=4 2104 B14R1.4379 CC(=O)CCCSc1sc(cc1C)C 62a_100011215641_100000689295 [0,1,0,0,0,1|2,0,0]=4 2105 B14R1.4379 CC(=O)CCCSc1sc(nc1C)C 62a_100009814099_100011215641 [0,1,0,0,0,1|1,0,0]=3 2106 B14R1.4379 CC(=O)CCCSc1sc(nc1C)C 62a_100011215641_100009814099 [0,1,0,0,0,1|1,0,0]=3 2107 B14R1.4379 CC(=O)CCCSc1sc(nc1C)N 62a_100011215641_100159269596 [0,1,0,0,0,1|1,0,0]=3 2108 B14R1.4379 CC(=O)CCCSc1sc(nc1C)N 62a_100159269596_100011215641 [0,1,0,0,0,1|1,0,0]=3 2109 B14R1.4379 CC(=O)CCOCc1sc(nc1Br)Br 7a_100010218989_100000053229 [0,1,0,0,0,1|2,0,0]=4 2110 B14R1.4379 CC(=O)CCOCc1sc(nc1Br)C 34a_100000759926_100015664652 [0,1,0,0,0,1|2,0,0]=4 2111 B14R1.4379 CC(=O)CCOCc1sc(nc1Br)C 7a_100000759926_100015664652 [0,1,0,0,0,1|2,0,0]=4 2112 B14R1.4379 CC(=O)CCOCc1sc(nc1C)Br 7a_100010264302_100000053229 [0,1,0,0,0,1|1,0,0]=3 2113 B14R1.4379 CC(=O)CCOCc1sc(nc1C)C 34a_100000759926_100000760948 [0,1,0,0,0,1|1,0,0]=3 2114 B14R1.4379 CC(=O)CCOCc1sc(nc1C)C 7a_100000750043_100000053229 [0,1,0,0,0,1|1,0,0]=3 2115 B14R1.4379 CC(=O)CCOCc1sc(nc1C)C 7a_100000759926_100000760948 [0,1,0,0,0,1|1,0,0]=3 2116 B14R1.4379 CC(=O)CCOCc1sc(nc1Cl)Cl 7a_100000721200_100000053229 [0,1,0,0,0,1|2,0,0]=4 2117 B14R1.4379 CC(=O)CCSCc1sc(nc1Br)C 62a_100000053229_100015664652 [0,1,0,0,0,1|2,0,0]=4 2118 B14R1.4379 CC(=O)CCSCc1sc(nc1Br)C 62a_100015664652_100000053229 [0,1,0,0,0,1|2,0,0]=4 2119 B14R1.4379 CC(=O)CCSCc1sc(nc1C)C 62a_100000053229_100000760948 [0,1,0,0,0,1|1,0,0]=3 2120 B14R1.4379 CC(=O)CCSCc1sc(nc1C)C 62a_100000760948_100000053229 [0,1,0,0,0,1|1,0,0]=3 2121 B14R1.4379 CC(=O)NCCSc1sc(cc1C)C 62a_100000189650_100000689295 [0,1,0,0,0,1|2,0,0]=4 2122 B14R1.4379 CC(=O)NCCSc1sc(cc1C)C 62a_100000689295_100000189650 [0,1,0,0,0,1|2,0,0]=4 2123 B14R1.4379 CC(=O)NCCSc1sc(nc1C)C 62a_100000189650_100009814099 [0,1,0,0,0,1|1,0,0]=3 2124 B14R1.4379 CC(=O)NCCSc1sc(nc1C)C 62a_100009814099_100000189650 [0,1,0,0,0,1|1,0,0]=3 2125 B14R1.4379 CC(=O)NCCSc1sc(nc1C)N 62a_100000189650_100159269596 [0,1,0,0,0,1|1,0,0]=3 2126 B14R1.4379 CC(=O)NCCSc1sc(nc1C)N 62a_100159269596_100000189650 [0,1,0,0,0,1|1,0,0]=3 2127 B14R1.4379 CC(=O)OCC=Cc1sc(cc1C)C 271570a_200000047263_100000689295 [0,1,0,0,0,1|1,0,1]=4 2128 B14R1.4379 CC(=O)OCC=Cc1sc(nc1C)C 271570a_200000047263_100009814099 [0,1,0,0,0,1|0,0,1]=3 2129 B14R1.4379 CC(=O)OCCOc1cc(nn1C)C 34a_100000738638_100009814007 [0,1,0,0,0,1|2,0,0]=4 2130 B14R1.4379 CC(=O)OCCSc1cc(nn1C)C 62a_100009814007_100009818511 [0,1,0,0,0,1|2,0,0]=4 2131 B14R1.4379 CC(=O)OCCSc1cc(nn1C)C 62a_100009818511_100009814007 [0,1,0,0,0,1|2,0,0]=4 2132 B14R1.4379 CC(=O)OCCSc1cc(nn1C)N 62a_100009814007_100116209741 [0,1,0,0,0,1|2,0,0]=4 2133 B14R1.4379 CC(=O)OCCSc1cc(nn1C)N 62a_100116209741_100009814007 [0,1,0,0,0,1|2,0,0]=4 2134 B14R1.4379 CC(=O)OCCSc1cc(sc1C)C 62a_100000688054_100009814007 [0,1,0,0,0,1|2,0,0]=4 2135 B14R1.4379 CC(=O)OCCSc1cc(sc1C)C 62a_100009814007_100000688054 [0,1,0,0,0,1|2,0,0]=4 2136 B14R1.4379 CC(=O)OCCSc1cn(nc1C)C 62a_100009814007_100011996311 [0,1,0,0,0,1|2,0,0]=4 2137 B14R1.4379 CC(=O)OCCSc1cn(nc1C)C 62a_100011996311_100009814007 [0,1,0,0,0,1|2,0,0]=4 2138 B14R1.4379 CC(=O)OCCSc1nc([nH]c1C)C 62a_100009814007_200009820778 [0,1,0,0,0,1|1,0,1]=4 2139 B14R1.4379 CC(=O)OCCSc1nc([nH]c1C)C 62a_200009820778_100009814007 [0,1,0,0,0,1|1,0,1]=4 2140 B14R1.4379 CC(=O)OCCSc1nc(sc1C)C 62a_100009814007_100010270876 [0,1,0,0,0,1|2,0,0]=4 2141 B14R1.4379 CC(=O)OCCSc1nc(sc1C)C 62a_100010270876_100009814007 [0,1,0,0,0,1|2,0,0]=4 2142 B14R1.4379 CC(=O)OCCSc1nc(sc1C)N 62a_100009814007_100009817509 [0,1,0,0,0,1|2,0,0]=4 2143 B14R1.4379 CC(=O)OCCSc1nc(sc1C)N 62a_100009817509_100009814007 [0,1,0,0,0,1|2,0,0]=4 2144 B14R1.4379 CC(=O)OCCSc1nn(nc1C)C 62a_100009814007_200009884731 [0,1,0,0,0,1|2,0,0]=4 2145 B14R1.4379 CC(=O)OCCSc1nn(nc1C)C 62a_200009884731_100009814007 [0,1,0,0,0,1|2,0,0]=4 2146 B14R1.4379 CC(=O)OCCSc1sc(cc1C)C 62a_100000689295_100009814007 [0,1,0,0,0,1|1,0,0]=3 2147 B14R1.4379 CC(=O)OCCSc1sc(cc1C)C 62a_100009814007_100000689295 [0,1,0,0,0,1|1,0,0]=3 2148 B14R1.4379 CC(=O)OCCSc1sc(nc1C)C 62a_100009814007_100009814099 [0,1,0,0,0,1|0,0,0]=2 2149 B14R1.4379 CC(=O)OCCSc1sc(nc1C)C 62a_100009814099_100009814007 [0,1,0,0,0,1|0,0,0]=2 2150 B14R1.4379 CC(=O)OCCSc1sc(nc1C)N 62a_100009814007_100159269596 [0,1,0,0,0,1|0,0,0]=2 2151 B14R1.4379 CC(=O)OCCSc1sc(nc1C)N 62a_100159269596_100009814007 [0,1,0,0,0,1|0,0,0]=2 2152 B14R1.4379 CC(=O)OCNCc1cc(nn1C)C 34a_100000238769_100009813279 [0,1,0,0,0,1|2,0,0]=4 2153 B14R1.4379 CC(=O)OCNCc1cn(nc1C)C 34a_100000700070_100009813279 [0,1,0,0,0,1|2,0,0]=4 2154 B14R1.4379 CC(=O)OCOCc1cc(nn1C)C 34a_100000243219_100009813279 [0,1,0,0,0,1|2,0,0]=4 2155 B14R1.4379 CC(=O)OCOCc1cc(oc1C)C 34a_100000688432_100009813279 [0,1,0,0,0,1|2,0,0]=4 2156 B14R1.4379 CC(=O)OCOCc1nc(oc1C)C 34a_100000068805_100009813279 [0,1,0,0,0,1|2,0,0]=4 2157 B14R1.4379 CC(=O)OCOCc1sc(nc1C)C 34a_100000750043_100009813279 [0,1,0,0,0,1|0,0,0]=2 2158 B14R1.4379 CC(=O)OCSCc1cc(nn1C)C 62a_100000076356_100025716357 [0,1,0,0,0,1|2,0,0]=4 2159 B14R1.4379 CC(=O)OCSCc1cc(nn1C)C 62a_100025716357_100000076356 [0,1,0,0,0,1|2,0,0]=4 2160 B14R1.4379 CC(=O)OCSCc1cn(nc1C)C 62a_100000076356_100015186178 [0,1,0,0,0,1|2,0,0]=4 2161 B14R1.4379 CC(=O)OCSCc1cn(nc1C)C 62a_100015186178_100000076356 [0,1,0,0,0,1|2,0,0]=4 2162 B14R1.4379 CC(=O)OCSCc1oc(=O)oc1C 62a_100000076356_100000068490 [0,1,0,0,0,1|1,1,0]=4 2163 B14R1.4379 CC(=O)OCSCc1sc(nc1Br)C 62a_100000076356_100015664652 [0,1,0,0,0,1|1,0,0]=3 2164 B14R1.4379 CC(=O)OCSCc1sc(nc1Br)C 62a_100015664652_100000076356 [0,1,0,0,0,1|1,0,0]=3 2165 B14R1.4379 CC(=O)OCSCc1sc(nc1C)C 62a_100000076356_100000760948 [0,1,0,0,0,1|0,0,0]=2 2166 B14R1.4379 CC(=O)OCSCc1sc(nc1C)C 62a_100000760948_100000076356 [0,1,0,0,0,1|0,0,0]=2 2167 B14R1.4379 Cc1cc(c(s1)SCCOC(=O)N)C 62a_100000689295_200011214921 [0,1,0,0,0,1|2,0,0]=4 2168 B14R1.4379 Cc1cc(c(s1)SCCOC(=O)N)C 62a_200011214921_100000689295 [0,1,0,0,0,1|2,0,0]=4 2169 B14R1.4379 Cc1nc(c(s1)CNCCC(=O)N)C 207a_100000740010_100000757988 [0,1,0,0,0,1|2,0,0]=4 2170 B14R1.4379 Cc1nc(c(s1)CNCCC(=O)N)C 2230a_100000761763_100000744528 [0,1,0,0,0,1|2,0,0]=4 2171 B14R1.4379 Cc1nc(c(s1)CNCOC(C)C)C 2230a_100000761763_100000709892 [0,1,0,0,0,1|1,0,1]=4 2172 B14R1.4379 Cc1nc(c(s1)CNOCC(=O)O)C 269956a_100000106656_100000760948 [0,1,0,0,0,1|2,0,0]=4 2173 B14R1.4379 Cc1nc(c(s1)COCCC(=O)N)C 34a_100000750043_100000731001 [0,1,0,0,0,1|2,0,0]=4 2174 B14R1.4379 Cc1nc(c(s1)COCCC(=O)N)C 34a_100000757172_100000760948 [0,1,0,0,0,1|2,0,0]=4 2175 B14R1.4379 Cc1nc(c(s1)COCCC(=O)N)C 7a_100000750043_100000744528 [0,1,0,0,0,1|2,0,0]=4 2176 B14R1.4379 Cc1nc(c(s1)COCCC(=O)N)C 7a_100000757172_100000760948 [0,1,0,0,0,1|2,0,0]=4 2177 B14R1.4379 Cc1nc(c(s1)COCOC(C)C)C 34a_100000750043_100000709892 [0,1,0,0,0,1|1,0,1]=4 2178 B14R1.4379 Cc1nc(c(s1)CSCCC(=O)N)C 62a_100000744528_100000760948 [0,1,0,0,0,1|2,0,0]=4 2179 B14R1.4379 Cc1nc(c(s1)CSCCC(=O)N)C 62a_100000760948_100000744528 [0,1,0,0,0,1|2,0,0]=4 2180 B14R1.4379 Cc1nc(c(s1)CSCOC(C)C)C 62a_100000709892_100000760948 [0,1,0,0,0,1|1,0,1]=4 2181 B14R1.4379 Cc1nc(c(s1)CSCOC(C)C)C 62a_100000760948_100000709892 [0,1,0,0,0,1|1,0,1]=4 2182 B14R1.4379 Cc1nc(c(s1)SCCCC(=O)N)C 62a_100009814099_100102525003 [0,1,0,0,0,1|2,0,0]=4 2183 B14R1.4379 Cc1nc(c(s1)SCCCC(=O)N)C 62a_100102525003_100009814099 [0,1,0,0,0,1|2,0,0]=4 2184 B14R1.4379 Cc1nc(c(s1)SCCNC(=O)N)C 62a_100009814099_200000034859 [0,1,0,0,0,1|2,0,0]=4 2185 B14R1.4379 Cc1nc(c(s1)SCCNC(=O)N)C 62a_200000034859_100009814099 [0,1,0,0,0,1|2,0,0]=4 2186 B14R1.4379 Cc1nc(c(s1)SCCOC(=O)N)C 62a_100009814099_200011214921 [0,1,0,0,0,1|1,0,0]=3 2187 B14R1.4379 Cc1nc(c(s1)SCCOC(=O)N)C 62a_200011214921_100009814099 [0,1,0,0,0,1|1,0,0]=3 2188 B14R1.4379 Cc1nc(c(s1)SCCOC(C)C)C 62a_100000211751_100009814099 [0,1,0,0,0,1|1,0,1]=4 2189 B14R1.4379 Cc1nc(c(s1)SCCOC(C)C)C 62a_100009814099_100000211751 [0,1,0,0,0,1|1,0,1]=4 2190 B14R1.4379 Cc1nc(sc1COCCC(=O)N)Br 7a_100010264302_100000744528 [0,1,0,0,0,1|2,0,0]=4 2191 B14R1.4379 Cc1nc(sc1SCCCC(=O)N)N 62a_100102525003_100159269596 [0,1,0,0,0,1|2,0,0]=4 2192 B14R1.4379 Cc1nc(sc1SCCCC(=O)N)N 62a_100159269596_100102525003 [0,1,0,0,0,1|2,0,0]=4 2193 B14R1.4379 Cc1nc(sc1SCCNC(=O)N)N 62a_100159269596_200000034859 [0,1,0,0,0,1|2,0,0]=4 2194 B14R1.4379 Cc1nc(sc1SCCNC(=O)N)N 62a_200000034859_100159269596 [0,1,0,0,0,1|2,0,0]=4 2195 B14R1.4379 Cc1nc(sc1SCCOC(=O)N)N 62a_100159269596_200011214921 [0,1,0,0,0,1|1,0,0]=3 2196 B14R1.4379 Cc1nc(sc1SCCOC(=O)N)N 62a_200011214921_100159269596 [0,1,0,0,0,1|1,0,0]=3 2197 B14R1.4379 Cc1nc(sc1SCCOC(C)C)N 62a_100000211751_100159269596 [0,1,0,0,0,1|1,0,1]=4 2198 B14R1.4379 Cc1nc(sc1SCCOC(C)C)N 62a_100159269596_100000211751 [0,1,0,0,0,1|1,0,1]=4 2199 B14R1.9532 CC(=O)COCCc1c(n[nH]c1C)C 34a_100000211253_100011219447 [0,1,0,0,0,1|2,0,0]=4 2200 B14R1.9532 CC(=O)OCCOc1c(n[nH]c1C)C 34a_100012186652_100009814007 [0,1,0,0,0,1|2,0,0]=4 2201 B14R1.9532 CC(=O)OCCSc1c(n[nH]c1C)C 62a_100000238710_100009814007 [0,1,0,0,0,1|2,0,0]=4 2202 B14R1.9532 CC(=O)OCCSc1c(n[nH]c1C)C 62a_100009814007_100000238710 [0,1,0,0,0,1|2,0,0]=4 2203 B14R1.9532 CC(=O)OCCSc1c(n[nH]c1N)C 62a_100000182022_100009814007 [0,1,0,0,0,1|2,0,0]=4 2204 B14R1.9532 CC(=O)OCCSc1c(n[nH]c1N)C 62a_100009814007_100000182022 [0,1,0,0,0,1|2,0,0]=4 2205 B14R1.9532 CC(=O)OCCSc1c(nnn1C)C 62a_100009814007_100016037793 [0,1,0,0,0,1|2,0,0]=4 2206 B14R1.9532 CC(=O)OCCSc1c(nnn1C)C 62a_100016037793_100009814007 [0,1,0,0,0,1|2,0,0]=4 2207 B14R1.9532 CC(=O)OCCSc1c(noc1C)C 62a_100000694658_100009814007 [0,1,0,0,0,1|2,0,0]=4 2208 B14R1.9532 CC(=O)OCCSc1c(noc1C)C 62a_100009814007_100000694658 [0,1,0,0,0,1|2,0,0]=4 2209 B14R1.9532 CC(=O)OCCSc1c(noc1N)C 62a_100000754107_100009814007 [0,1,0,0,0,1|2,0,0]=4 2210 B14R1.9532 CC(=O)OCCSc1c(noc1N)C 62a_100009814007_100000754107 [0,1,0,0,0,1|2,0,0]=4 2211 B14R1.9532 CC(=O)OCCSc1c(nsc1N)C 62a_100000701153_100009814007 [0,1,0,0,0,1|2,0,0]=4 2212 B14R1.9532 CC(=O)OCCSc1c(nsc1N)C 62a_100009814007_100000701153 [0,1,0,0,0,1|2,0,0]=4 2213 B14R1.9532 CC(=O)OCNCc1c(noc1C)C 34a_100000174930_100009813279 [0,1,0,0,0,1|2,0,0]=4 2214 B14R1.9532 CC(=O)OCOCc1c(cnn1C)Br 34a_100012039568_100009813279 [0,1,0,0,0,1|2,0,0]=4 2215 B14R1.9532 CC(=O)OCOCc1c(noc1C)C 34a_100011219351_100009813279 [0,1,0,0,0,1|2,0,0]=4 2216 B14R1.9532 CC(=O)OCSCc1c(noc1C)C 62a_100000076356_100000184612 [0,1,0,0,0,1|2,0,0]=4 2217 B14R1.9532 CC(=O)OCSCc1c(noc1C)C 62a_100000184612_100000076356 [0,1,0,0,0,1|2,0,0]=4 2218 B14R1.13252 C=C(C)COCCc1sc[n+](c1C)C 34a_100000085727_100000748629 [0,1,0,0,0,1|1,0,1]=4 2219 B14R1.13252 C=C(C)COCCc1sc[n+](c1C)C 7a_100000085727_100000748629 [0,1,0,0,0,1|1,0,1]=4 2220 B14R1.13252 Cc1c(sc[n+]1C)CCOCC(=O)N 34a_100000085727_100000187820 [0,1,0,0,0,1|1,0,1]=4 2221 B14R1.13252 Cc1c(sc[n+]1C)CCOCC(=O)N 7a_100000085727_100000187820 [0,1,0,0,0,1|1,0,1]=4 2222 B14R1.13252 Cc1c(sc[n+]1C)CCOCC(=O)[O-] 34a_100000085727_100020667443 [0,1,0,0,0,1|1,0,1]=4 2223 B14R1.109 CCc1ccsc1SCOC(=O)OC 62a_200009875468_100000139417 [0,2,0,0,0,0|2,0,0]=4 2224 B14R1.109 COC(=O)OCSc1sccc1CN 62a_100000727803_100000139417 [0,2,0,0,0,0|2,0,0]=4 2225 B14R1.109 COC(=O)OCSc1sccc1CO 62a_100009816922_100000139417 [0,2,0,0,0,0|2,0,0]=4 2226 B14R1.498 CNCc1ccsc1SCOC(=O)C 62a_100000076356_100009817074 [0,2,0,0,0,0|2,0,0]=4 2227 B14R1.498 CNCc1ccsc1SCOC(=O)C 62a_100009817074_100000076356 [0,2,0,0,0,0|2,0,0]=4 2228 B14R1.849 CC(=O)OC(C)Sc1sccc1CN 62a_100000727803_100009818208 [0,2,0,0,0,0|2,0,0]=4 2229 B14R1.849 CC(=O)OC(C)Sc1sccc1CN 62a_100009818208_100000727803 [0,2,0,0,0,0|2,0,0]=4 2230 B14R1.849 CC(=O)OC(C)Sc1sccc1CO 62a_100009816922_100009818208 [0,2,0,0,0,0|2,0,0]=4 2231 B14R1.849 CC(=O)OC(C)Sc1sccc1CO 62a_100009818208_100009816922 [0,2,0,0,0,0|2,0,0]=4 2232 B14R1.849 CCc1ccsc1SC(C)OC(=O)C 62a_100009818208_200009875468 [0,2,0,0,0,0|2,0,0]=4 2233 B14R1.849 CCc1ccsc1SC(C)OC(=O)C 62a_200009875468_100009818208 [0,2,0,0,0,0|2,0,0]=4 2234 B14R1.1989 CC(=O)CCSc1sc(nc1CO)C 62a_100000053229_100011103066 [0,2,0,0,0,0|2,0,0]=4 2235 B14R1.1989 CC(=O)CCSc1sc(nc1CO)C 62a_100011103066_100000053229 [0,2,0,0,0,0|2,0,0]=4 2236 B14R1.1989 CC(=O)OCSc1sc(nc1C#N)N 62a_100000076356_100010235664 [0,2,0,0,0,0|1,0,1]=4 2237 B14R1.1989 CC(=O)OCSc1sc(nc1CO)C 62a_100000076356_100011103066 [0,2,0,0,0,0|1,0,0]=3 2238 B14R1.1989 CC(=O)OCSc1sc(nc1CO)C 62a_100011103066_100000076356 [0,2,0,0,0,0|1,0,0]=3 2239 B14R1.987 C/C=C(\C)/C(=O)CCc1scnc1C 1458a_100020587367_100000057103 [0,2,0,0,0,0|2,0,0]=4 2240 B14R1.987 C=C(CSc1scnc1C)C(=O)OC 62a_100009813391_100009817116 [0,2,0,0,0,0|2,0,0]=4 2241 B14R1.987 C=C(CSc1scnc1C)C(=O)OC 62a_100009817116_100009813391 [0,2,0,0,0,0|2,0,0]=4 2242 B14R1.987 C=CC(=O)N(C)CCc1scnc1C 1626a_100025748334_100000185746 [0,2,0,0,0,0|1,0,1]=4 2243 B14R1.987 C=CC(=O)N(C)CCc1scnc1C 240690a_100025748334_200121576911 [0,2,0,0,0,0|1,0,1]=4 2244 B14R1.987 CCC(=O)C(C)NCc1scnc1C 2230a_100000752186_100000742827 [0,2,0,0,0,0|2,0,0]=4 2245 B14R1.987 CCC(=O)C(C)OCc1scnc1C 7a_100000750112_100000742827 [0,2,0,0,0,0|2,0,0]=4 2246 B14R1.987 CCC(=O)N(C)CCc1scnc1C 11a_100025748334_100000210414 [0,2,0,0,0,0|1,0,0]=3 2247 B14R1.987 CCC(=O)N(C)CCc1scnc1C 1626a_100025748334_100000210414 [0,2,0,0,0,0|1,0,0]=3 2248 B14R1.987 CCC(=O)N(C)CCc1scnc1C 240690a_100025748334_100000210414 [0,2,0,0,0,0|1,0,0]=3 2249 B14R1.987 CCC(=O)N(C)CCc1scnc1C 527a_100025748334_100000210414 [0,2,0,0,0,0|1,0,0]=3 2250 B14R1.987 CNC(=O)C(=O)CCc1scnc1C 1458a_100011218921_100000057103 [0,2,0,0,0,0|1,0,0]=3 2251 B14R1.987 CNC(=O)C(=O)NCc1scnc1C 1626a_100000752186_100011218921 [0,2,0,0,0,0|2,0,0]=4 2252 B14R1.987 CNC(=O)C(=O)NCc1scnc1C 240690a_100000752186_100011218921 [0,2,0,0,0,0|2,0,0]=4 2253 B14R1.987 CNC(=O)C(=O)NCc1scnc1C 527a_100000752186_100011218921 [0,2,0,0,0,0|2,0,0]=4 2254 B14R1.987 CNC(=O)C(C)NCc1scnc1C 2230a_100000752186_100000731044 [0,2,0,0,0,0|2,0,0]=4 2255 B14R1.987 CNC(=O)C(C)OCc1scnc1C 34a_100000750112_100000731044 [0,2,0,0,0,0|2,0,0]=4 2256 B14R1.987 CNC(=O)C(C)OCc1scnc1C 7a_100000750112_100000209862 [0,2,0,0,0,0|2,0,0]=4 2257 B14R1.987 CNC(=O)C(F)NCc1scnc1C 2230a_100000752186_100009813575 [0,2,0,0,0,0|2,0,0]=4 2258 B14R1.987 CNC(=O)C(F)OCc1scnc1C 34a_100000750112_100009813575 [0,2,0,0,0,0|2,0,0]=4 2259 B14R1.987 CNC(=O)C(F)OCc1scnc1C 7a_100000750112_100009813575 [0,2,0,0,0,0|2,0,0]=4 2260 B14R1.987 CNC(=O)N(C)CCc1scnc1C 2708a_100102657272_100025748334 [0,2,0,0,0,0|1,0,0]=3 2261 B14R1.987 CNC(=O)N(C)CCc1scnc1C 273464a_100102657272_100025748334 [0,2,0,0,0,0|1,0,0]=3 2262 B14R1.987 COC(=O)C(=O)CSc1scnc1C 62a_100009817116_100011610305 [0,2,0,0,0,0|2,0,0]=4 2263 B14R1.987 COC(=O)C(=O)CSc1scnc1C 62a_100011610305_100009817116 [0,2,0,0,0,0|2,0,0]=4 2264 B14R1.987 COC(=O)C(=O)NCc1scnc1C 11a_100000752186_100000024059 [0,2,0,0,0,0|2,0,0]=4 2265 B14R1.987 COC(=O)C(=O)NCc1scnc1C 1626a_100000752186_100000024059 [0,2,0,0,0,0|2,0,0]=4 2266 B14R1.987 COC(=O)C(=O)NCc1scnc1C 240690a_100000752186_100000024059 [0,2,0,0,0,0|2,0,0]=4 2267 B14R1.987 COC(=O)C(=O)NCc1scnc1C 527a_100000752186_100000024059 [0,2,0,0,0,0|2,0,0]=4 2268 B14R1.987 COC(=O)C(C)CSc1scnc1C 62a_100000698445_100009817116 [0,2,0,0,0,0|2,0,0]=4 2269 B14R1.987 COC(=O)C(C)CSc1scnc1C 62a_100009817116_100000698445 [0,2,0,0,0,0|2,0,0]=4 2270 B14R1.987 COC(=O)C(C)NCc1scnc1C 2230a_100000752186_100000211248 [0,2,0,0,0,0|2,0,0]=4 2271 B14R1.987 COC(=O)C(C)OCc1scnc1C 34a_100000750112_100000211248 [0,2,0,0,0,0|2,0,0]=4 2272 B14R1.987 COC(=O)C(C)OCc1scnc1C 7a_100000750112_100000211248 [0,2,0,0,0,0|2,0,0]=4 2273 B14R1.987 Cc1ncsc1CCN(C)C(=O)CO 240690a_100025748334_100000210174 [0,2,0,0,0,0|1,0,0]=3 2274 B14R1.987 Cc1ncsc1CCN(C)C(=O)CO 527a_100025748334_100000210174 [0,2,0,0,0,0|1,0,0]=3 2275 B14R1.4356 CC(=O)C(=O)CSc1sc(nc1C)C 62a_100009814099_100011261029 [0,2,0,0,0,0|2,0,0]=4 2276 B14R1.4356 CC(=O)C(=O)CSc1sc(nc1C)C 62a_100011261029_100009814099 [0,2,0,0,0,0|2,0,0]=4 2277 B14R1.4356 CC(=O)C(=O)CSc1sc(nc1C)N 62a_100011261029_100159269596 [0,2,0,0,0,0|2,0,0]=4 2278 B14R1.4356 CC(=O)C(=O)CSc1sc(nc1C)N 62a_100159269596_100011261029 [0,2,0,0,0,0|2,0,0]=4 2279 B14R1.4356 CC(=O)C(C)NCc1sc(nc1C)C 2230a_100000761763_100009814033 [0,2,0,0,0,0|2,0,0]=4 2280 B14R1.4356 CC(=O)C(C)OCc1sc(nc1C)Br 7a_100010264302_100000179758 [0,2,0,0,0,0|2,0,0]=4 2281 B14R1.4356 CC(=O)C(C)OCc1sc(nc1C)C 34a_100000212229_100000760948 [0,2,0,0,0,0|2,0,0]=4 2282 B14R1.4356 CC(=O)C(C)OCc1sc(nc1C)C 7a_100000750043_100000179758 [0,2,0,0,0,0|2,0,0]=4 2283 B14R1.4356 CC(=O)C(C)SCc1sc(nc1C)C 62a_100000760948_100009814033 [0,2,0,0,0,0|2,0,0]=4 2284 B14R1.4356 CC(=O)C(C)SCc1sc(nc1C)C 62a_100009814033_100000760948 [0,2,0,0,0,0|2,0,0]=4 2285 B14R1.4496 CC(=O)C(C)(C)OCc1scnc1C 7a_100000750112_100000075568 [0,2,0,0,0,0|2,0,0]=4 2286 B14R1.4895 Cc1ncsc1CCN(C)S(=O)(=O)C 40a_100025748334_100000738038 [0,2,0,0,0,0|2,0,0]=4 2287 B14R1.5604 C#CC(C)(C)OCCc1scnc1C 34a_100000189450_100000057103 [0,2,0,0,0,0|1,0,1]=4 2288 B14R1.5604 C#CC(C)(C)OCCc1scnc1C 34a_100000211055_100000038118 [0,2,0,0,0,0|1,0,1]=4 2289 B14R1.5604 C#CC(C)(C)OCCc1scnc1C 7a_100000189450_100000057103 [0,2,0,0,0,0|1,0,1]=4 2290 B14R1.5604 C=CC(C)(C)OCCc1scnc1C 34a_100011215311_100000057103 [0,2,0,0,0,0|1,0,1]=4 2291 B14R1.5604 C=CC(C)(C)OCCc1scnc1C 7a_100011215311_100000057103 [0,2,0,0,0,0|1,0,1]=4 2292 B14R1.5604 CCC(C)(C)OCCc1scnc1C 7a_100000210230_100000057103 [0,2,0,0,0,0|1,0,1]=4 2293 B14R1.5604 CCC(C)(C)OCCc1scnc1C 7a_100000211055_100000210677 [0,2,0,0,0,0|1,0,1]=4 2294 B14R1.5604 CCS(=O)(=O)NCCc1scnc1C 270084a_100000238517_100000211323 [0,2,0,0,0,0|2,0,0]=4 2295 B14R1.5604 CCS(=O)(=O)NCCc1scnc1C 274078a_100000238517_100000211323 [0,2,0,0,0,0|2,0,0]=4 2296 B14R1.5604 CCS(=O)(=O)NCCc1scnc1C 40a_100000238517_100000053943 [0,2,0,0,0,0|2,0,0]=4 2297 B14R1.5604 Cc1ncsc1CCNS(=O)(=O)CCl 270084a_100000238517_100000031410 [0,2,0,0,0,0|2,0,0]=4 2298 B14R1.5604 Cc1ncsc1CCNS(=O)(=O)CCl 274078a_100000238517_100000031410 [0,2,0,0,0,0|2,0,0]=4 2299 B14R1.5604 Cc1ncsc1CCOC(C)(C)C#N 34a_100000211055_100011162410 [0,2,0,0,0,0|1,0,1]=4 2300 B14R1.5604 Cc1ncsc1CCOC(C)(C)C#N 34a_200015195151_100000057103 [0,2,0,0,0,0|1,0,1]=4 2301 B14R1.5604 Cc1ncsc1CCOC(C)(C)C#N 7a_100000211055_100011162410 [0,2,0,0,0,0|1,0,1]=4 2302 B14R1.5604 Cc1ncsc1CCOC(C)(C)CCl 7a_100000764493_100000057103 [0,2,0,0,0,0|1,0,1]=4 2303 B14R1.596 COC(=O)CC(C)Sc1scnc1C 62a_100009817116_100009817358 [0,2,0,0,0,0|2,0,0]=4 2304 B14R1.596 COC(=O)CC(C)Sc1scnc1C 62a_100009817358_100009817116 [0,2,0,0,0,0|2,0,0]=4 2305 B14R1.4371 CC(=O)OC(C)Sc1sc(cc1C)C 62a_100000689295_100009818208 [0,2,0,0,0,0|2,0,0]=4 2306 B14R1.4371 CC(=O)OC(C)Sc1sc(cc1C)C 62a_100009818208_100000689295 [0,2,0,0,0,0|2,0,0]=4 2307 B14R1.4371 CC(=O)OC(C)Sc1sc(nc1C)C 62a_100009814099_100009818208 [0,2,0,0,0,0|1,0,0]=3 2308 B14R1.4371 CC(=O)OC(C)Sc1sc(nc1C)C 62a_100009818208_100009814099 [0,2,0,0,0,0|1,0,0]=3 2309 B14R1.4371 CC(=O)OC(C)Sc1sc(nc1C)N 62a_100009818208_100159269596 [0,2,0,0,0,0|1,0,0]=3 2310 B14R1.4371 CC(=O)OC(C)Sc1sc(nc1C)N 62a_100159269596_100009818208 [0,2,0,0,0,0|1,0,0]=3 2311 B14R1.948 C#CCC(=O)NCCc1scnc1C 1626a_100000238517_100011220946 [0,2,0,0,0,0|1,0,0]=3 2312 B14R1.948 C#CCC(=O)NCCc1scnc1C 527a_100000238517_100011220946 [0,2,0,0,0,0|1,0,0]=3 2313 B14R1.948 C#CCC(C)OCCc1scnc1C 34a_100000685586_100000057103 [0,2,0,0,0,0|1,0,1]=4 2314 B14R1.948 C#CCC(C)OCCc1scnc1C 7a_100000685586_100000057103 [0,2,0,0,0,0|1,0,1]=4 2315 B14R1.948 C/C=C/C(C)OCCc1scnc1C 34a_200102604097_100000057103 [0,2,0,0,0,0|1,0,1]=4 2316 B14R1.948 C=CCC(=O)NCCc1scnc1C 11a_100000238517_100000210193 [0,2,0,0,0,0|1,0,0]=3 2317 B14R1.948 C=CCC(=O)NCCc1scnc1C 1626a_100000238517_100000210193 [0,2,0,0,0,0|1,0,0]=3 2318 B14R1.948 C=CCC(=O)NCCc1scnc1C 240690a_100000238517_100000210193 [0,2,0,0,0,0|1,0,0]=3 2319 B14R1.948 C=CCC(=O)NCCc1scnc1C 527a_100000238517_100000210193 [0,2,0,0,0,0|1,0,0]=3 2320 B14R1.948 C=CC[C@@H](C)OCCc1scnc1C 34a_100000731007_100000057103 [0,2,0,0,0,0|1,0,1]=4 2321 B14R1.948 C=CC[C@@H](C)OCCc1scnc1C 7a_100000731007_100000057103 [0,2,0,0,0,0|1,0,1]=4 2322 B14R1.948 CC#CC(C)OCCc1scnc1C 34a_100011216543_100000057103 [0,2,0,0,0,0|1,0,1]=4 2323 B14R1.948 CC=CC(=O)NCCc1scnc1C 11a_100000238517_100000210699 [0,2,0,0,0,0|1,0,0]=3 2324 B14R1.948 CC=CC(=O)NCCc1scnc1C 1626a_100000238517_100000210699 [0,2,0,0,0,0|1,0,0]=3 2325 B14R1.948 CC=CC(=O)NCCc1scnc1C 240690a_100000238517_100000210699 [0,2,0,0,0,0|1,0,0]=3 2326 B14R1.948 CCCC(=O)CNCc1scnc1C 2230a_100000752186_100000747444 [0,2,0,0,0,0|2,0,0]=4 2327 B14R1.948 CCCC(=O)COCc1scnc1C 7a_100000750112_100000747444 [0,2,0,0,0,0|2,0,0]=4 2328 B14R1.948 CCCC(=O)NCCc1scnc1C 11a_100000238517_100000211992 [0,2,0,0,0,0|1,0,0]=3 2329 B14R1.948 CCCC(=O)NCCc1scnc1C 1626a_100000238517_100000211992 [0,2,0,0,0,0|1,0,0]=3 2330 B14R1.948 CCCC(=O)NCCc1scnc1C 240690a_100000238517_100000211992 [0,2,0,0,0,0|1,0,0]=3 2331 B14R1.948 CCCC(=O)NCCc1scnc1C 527a_100000238517_100000211992 [0,2,0,0,0,0|1,0,0]=3 2332 B14R1.948 CCCC(=O)OCSc1sccc1C 62a_100010247149_100000034017 [0,2,0,0,0,0|2,0,0]=4 2333 B14R1.948 CCCC(=O)OCSc1scnc1C 62a_100009817116_100000034017 [0,2,0,0,0,0|1,0,0]=3 2334 B14R1.948 CCCC(C)OCCc1scnc1C 34a_100000211055_100000766640 [0,2,0,0,0,0|1,0,1]=4 2335 B14R1.948 CCCC(C)OCCc1scnc1C 34a_100000764384_100000057103 [0,2,0,0,0,0|1,0,1]=4 2336 B14R1.948 CCCC(C)OCCc1scnc1C 7a_100000211055_100000766640 [0,2,0,0,0,0|1,0,1]=4 2337 B14R1.948 CCCC(C)OCCc1scnc1C 7a_100000764384_100000057103 [0,2,0,0,0,0|1,0,1]=4 2338 B14R1.948 CCNC(=O)CCSc1scnc1C 62a_100000737597_100009817116 [0,2,0,0,0,0|2,0,0]=4 2339 B14R1.948 CCNC(=O)CCSc1scnc1C 62a_100009817116_100000737597 [0,2,0,0,0,0|2,0,0]=4 2340 B14R1.948 CCNC(=O)CNCc1scnc1C 2230a_100000752186_100000183381 [0,2,0,0,0,0|2,0,0]=4 2341 B14R1.948 CCNC(=O)COCc1scnc1C 34a_100000750112_100000183381 [0,2,0,0,0,0|2,0,0]=4 2342 B14R1.948 CCNC(=O)COCc1scnc1C 7a_100000750112_100000183381 [0,2,0,0,0,0|2,0,0]=4 2343 B14R1.948 CCNC(=O)NCCc1scnc1C 2708a_100000238517_100015525214 [0,2,0,0,0,0|1,0,0]=3 2344 B14R1.948 CCNC(=O)NCCc1scnc1C 2708a_100015525214_100000238517 [0,2,0,0,0,0|1,0,0]=3 2345 B14R1.948 CCNC(=O)NCCc1scnc1C 273464a_100000238517_100015525214 [0,2,0,0,0,0|1,0,0]=3 2346 B14R1.948 CCNC(=O)NCCc1scnc1C 273464a_100015525214_100000238517 [0,2,0,0,0,0|1,0,0]=3 2347 B14R1.948 CCNC(=O)NCCc1scnc1C 512a_100000238517_100015525214 [0,2,0,0,0,0|1,0,0]=3 2348 B14R1.948 CCNC(=O)NCCc1scnc1C 512a_100015525214_100000238517 [0,2,0,0,0,0|1,0,0]=3 2349 B14R1.948 CCOC(=O)CCSc1scnc1C 62a_100000765890_100009817116 [0,2,0,0,0,0|2,0,0]=4 2350 B14R1.948 CCOC(=O)CCSc1scnc1C 62a_100009817116_100000765890 [0,2,0,0,0,0|2,0,0]=4 2351 B14R1.948 CCOC(=O)CNCc1scnc1C 2230a_100000752186_100000188475 [0,2,0,0,0,0|2,0,0]=4 2352 B14R1.948 CCOC(=O)COCc1scnc1C 34a_100000750112_100000188475 [0,2,0,0,0,0|2,0,0]=4 2353 B14R1.948 CCOC(=O)COCc1scnc1C 7a_100000750112_100000188475 [0,2,0,0,0,0|2,0,0]=4 2354 B14R1.948 CCOC(=O)OCSc1sccc1C 62a_100010247149_100000075025 [0,2,0,0,0,0|2,0,0]=4 2355 B14R1.948 CCOC(=O)OCSc1scnc1C 62a_100009817116_100000075025 [0,2,0,0,0,0|1,0,0]=3 2356 B14R1.948 CNNC(=O)NCCc1scnc1C 273464a_100000238517_100016993582 [0,2,0,0,0,0|1,0,0]=3 2357 B14R1.948 CNNC(=O)NCCc1scnc1C 512a_100000238517_100016993582 [0,2,0,0,0,0|1,0,0]=3 2358 B14R1.948 CNNC(=O)NCCc1scnc1C 512a_100016993582_100000238517 [0,2,0,0,0,0|1,0,0]=3 2359 B14R1.948 COCC(=O)NCCc1scnc1C 11a_100000238517_100000210968 [0,2,0,0,0,0|1,0,0]=3 2360 B14R1.948 COCC(=O)NCCc1scnc1C 1626a_100000238517_100000210968 [0,2,0,0,0,0|1,0,0]=3 2361 B14R1.948 COCC(=O)NCCc1scnc1C 240690a_100000238517_100000210968 [0,2,0,0,0,0|1,0,0]=3 2362 B14R1.948 COCC(=O)NCCc1scnc1C 527a_100000238517_100000210968 [0,2,0,0,0,0|1,0,0]=3 2363 B14R1.948 COCC(C)OCCc1scnc1C 34a_100000211055_100000765312 [0,2,0,0,0,0|0,0,2]=4 2364 B14R1.948 COCC(C)OCCc1scnc1C 7a_100000211055_100000765312 [0,2,0,0,0,0|0,0,2]=4 2365 B14R1.948 COC[C@@H](C)OCCc1scnc1C 34a_100011934205_100000057103 [0,2,0,0,0,0|0,0,2]=4 2366 B14R1.948 CSCC(=O)NCCc1scnc1C 11a_100000238517_100000184570 [0,2,0,0,0,0|1,0,0]=3 2367 B14R1.948 CSCC(=O)NCCc1scnc1C 1626a_100000238517_100000184570 [0,2,0,0,0,0|1,0,0]=3 2368 B14R1.948 CSCC(=O)NCCc1scnc1C 240690a_100000238517_100000184570 [0,2,0,0,0,0|1,0,0]=3 2369 B14R1.948 CSCC(=O)NCCc1scnc1C 527a_100000238517_100000184570 [0,2,0,0,0,0|1,0,0]=3 2370 B14R1.948 Cc1ncsc1CCNC(=O)C=CBr 1626a_100000238517_100016273825 [0,2,0,0,0,0|1,0,1]=4 2371 B14R1.948 Cc1ncsc1CCNC(=O)C=CBr 240690a_100000238517_100016273825 [0,2,0,0,0,0|1,0,1]=4 2372 B14R1.948 Cc1ncsc1CCNC(=O)C=CCl 11a_100000238517_200016279998 [0,2,0,0,0,0|1,0,1]=4 2373 B14R1.948 Cc1ncsc1CCNC(=O)C=CCl 1626a_100000238517_200016279998 [0,2,0,0,0,0|1,0,1]=4 2374 B14R1.948 Cc1ncsc1CCNC(=O)C=CCl 240690a_100000238517_200016279998 [0,2,0,0,0,0|1,0,1]=4 2375 B14R1.948 Cc1ncsc1CCNC(=O)C=CI 1626a_100000238517_100016256311 [0,2,0,0,0,0|1,0,1]=4 2376 B14R1.948 Cc1ncsc1CCNC(=O)CC#N 1626a_100000238517_100051588842 [0,2,0,0,0,0|1,0,0]=3 2377 B14R1.948 Cc1ncsc1CCNC(=O)CC#N 240690a_100000238517_100051588842 [0,2,0,0,0,0|1,0,0]=3 2378 B14R1.948 Cc1ncsc1CCNC(=O)CCO 240690a_100000238517_100011216618 [0,2,0,0,0,0|1,0,0]=3 2379 B14R1.948 Cc1ncsc1CCOC(C)CC#N 7a_100000211055_100009813641 [0,2,0,0,0,0|1,0,1]=4 2380 B14R1.948 Cc1ncsc1CCOC(C)CCBr 34a_100012276601_100000057103 [0,2,0,0,0,0|1,0,1]=4 2381 B14R1.948 Cc1ncsc1CCOC(C)CCO 34a_100000211055_100009893172 [0,2,0,0,0,0|0,0,2]=4 2382 B14R1.948 Cc1ncsc1CCOC(C)CCO 7a_100000211055_100009893172 [0,2,0,0,0,0|0,0,2]=4 2383 B14R1.948 Cc1ncsc1CNCC(=O)NCO 2230a_100000752186_100000185155 [0,2,0,0,0,0|2,0,0]=4 2384 B14R1.948 Cc1ncsc1COCC(=O)NCO 34a_100000750112_100000185155 [0,2,0,0,0,0|2,0,0]=4 2385 B14R1.948 Cc1ncsc1COCC(=O)NCO 7a_100000750112_100000185155 [0,2,0,0,0,0|2,0,0]=4 2386 B14R1.2971 CCC(=O)COCc1sc(nc1C)Br 7a_100010264302_100000747405 [0,2,0,0,0,0|2,0,0]=4 2387 B14R1.2971 CCC(=O)COCc1sc(nc1C)C 34a_100000725409_100000760948 [0,2,0,0,0,0|2,0,0]=4 2388 B14R1.2971 CCC(=O)COCc1sc(nc1C)C 7a_100000750043_100000747405 [0,2,0,0,0,0|2,0,0]=4 2389 B14R1.2971 CCC(=O)CSCc1sc(nc1C)C 62a_100000747405_100000760948 [0,2,0,0,0,0|2,0,0]=4 2390 B14R1.2971 CCC(=O)CSCc1sc(nc1C)C 62a_100000760948_100000747405 [0,2,0,0,0,0|2,0,0]=4 2391 B14R1.2971 CNC(=O)CCSc1sc(nc1C)C 62a_100000737683_100009814099 [0,2,0,0,0,0|2,0,0]=4 2392 B14R1.2971 CNC(=O)CCSc1sc(nc1C)C 62a_100009814099_100000737683 [0,2,0,0,0,0|2,0,0]=4 2393 B14R1.2971 CNC(=O)CCSc1sc(nc1C)N 62a_100000737683_100159269596 [0,2,0,0,0,0|2,0,0]=4 2394 B14R1.2971 CNC(=O)CCSc1sc(nc1C)N 62a_100159269596_100000737683 [0,2,0,0,0,0|2,0,0]=4 2395 B14R1.2971 CNC(=O)CNCc1sc(nc1C)C 207a_100000693194_100000757988 [0,2,0,0,0,0|2,0,0]=4 2396 B14R1.2971 CNC(=O)CNCc1sc(nc1C)C 2230a_100000693194_100000760948 [0,2,0,0,0,0|2,0,0]=4 2397 B14R1.2971 CNC(=O)CNCc1sc(nc1C)C 2230a_100000761763_100000183359 [0,2,0,0,0,0|2,0,0]=4 2398 B14R1.2971 CNC(=O)COCc1sc(nc1C)Br 7a_100010264302_100000183359 [0,2,0,0,0,0|2,0,0]=4 2399 B14R1.2971 CNC(=O)COCc1sc(nc1C)C 34a_100000750040_100000760948 [0,2,0,0,0,0|2,0,0]=4 2400 B14R1.2971 CNC(=O)COCc1sc(nc1C)C 34a_100000750043_100000183359 [0,2,0,0,0,0|2,0,0]=4 2401 B14R1.2971 CNC(=O)COCc1sc(nc1C)C 7a_100000750043_100000183359 [0,2,0,0,0,0|2,0,0]=4 2402 B14R1.2971 CNC(=O)CSCc1sc(nc1C)C 62a_100000183359_100000760948 [0,2,0,0,0,0|2,0,0]=4 2403 B14R1.2971 CNC(=O)CSCc1sc(nc1C)C 62a_100000760948_100000183359 [0,2,0,0,0,0|2,0,0]=4 2404 B14R1.2971 COC(=O)CCSc1sc(nc1C)C 62a_100000204255_100009814099 [0,2,0,0,0,0|2,0,0]=4 2405 B14R1.2971 COC(=O)CCSc1sc(nc1C)C 62a_100009814099_100000204255 [0,2,0,0,0,0|2,0,0]=4 2406 B14R1.2971 COC(=O)CCSc1sc(nc1C)N 62a_100000204255_100159269596 [0,2,0,0,0,0|2,0,0]=4 2407 B14R1.2971 COC(=O)CCSc1sc(nc1C)N 62a_100159269596_100000204255 [0,2,0,0,0,0|2,0,0]=4 2408 B14R1.2971 COC(=O)CNCc1sc(nc1C)C 2230a_100000761763_100000747449 [0,2,0,0,0,0|2,0,0]=4 2409 B14R1.2971 COC(=O)COCc1sc(nc1C)Br 7a_100010264302_100000747449 [0,2,0,0,0,0|2,0,0]=4 2410 B14R1.2971 COC(=O)COCc1sc(nc1C)C 34a_100000750043_100000747449 [0,2,0,0,0,0|2,0,0]=4 2411 B14R1.2971 COC(=O)COCc1sc(nc1C)C 7a_100000750043_100000747449 [0,2,0,0,0,0|2,0,0]=4 2412 B14R1.2971 COC(=O)CSCc1sc(nc1C)C 62a_100000747449_100000760948 [0,2,0,0,0,0|2,0,0]=4 2413 B14R1.2971 COC(=O)CSCc1sc(nc1C)C 62a_100000760948_100000747449 [0,2,0,0,0,0|2,0,0]=4 2414 B14R1.2971 COC(=O)OCSc1sc(cc1C)C 62a_100000689295_100000139417 [0,2,0,0,0,0|2,0,0]=4 2415 B14R1.2971 COC(=O)OCSc1sc(nc1C)C 62a_100009814099_100000139417 [0,2,0,0,0,0|1,0,0]=3 2416 B14R1.2971 COC(=O)OCSc1sc(nc1C)N 62a_100159269596_100000139417 [0,2,0,0,0,0|1,0,0]=3 2417 B14R1.4389 C#CC(CC)OCCc1scnc1C 34a_100000758843_100000057103 [0,2,0,0,0,0|1,0,1]=4 2418 B14R1.4389 C#CC(CC)OCCc1scnc1C 7a_100000758843_100000057103 [0,2,0,0,0,0|1,0,1]=4 2419 B14R1.4389 C=CC(CC)OCCc1scnc1C 34a_100000766422_100000057103 [0,2,0,0,0,0|1,0,1]=4 2420 B14R1.4389 C=CC(CC)OCCc1scnc1C 7a_100000766422_100000057103 [0,2,0,0,0,0|1,0,1]=4 2421 B14R1.4389 CCC(CC)OCCc1scnc1C 7a_100000211055_100000210505 [0,2,0,0,0,0|1,0,1]=4 2422 B14R1.4389 CCC(CC)OCCc1scnc1C 7a_100000688536_100000057103 [0,2,0,0,0,0|1,0,1]=4 2423 B14R1.4389 Cc1ncsc1CCOC(C=O)C=O 34a_100000211055_100000736813 [0,2,0,0,0,0|0,0,2]=4 2424 B14R1.4389 Cc1ncsc1CCOC(CCl)CCl 7a_100000737055_100000057103 [0,2,0,0,0,0|1,0,1]=4 2425 B14R1.4389 Cc1ncsc1CCOC(CF)CF 34a_100000032261_100000057103 [0,2,0,0,0,0|1,0,1]=4 2426 B14R1.4389 Cc1ncsc1CCOC(CF)CF 7a_100000032261_100000057103 [0,2,0,0,0,0|1,0,1]=4 2427 B14R1.4389 Cc1ncsc1CCOC(CN)CN 34a_100000031598_100000057103 [0,2,0,0,0,0|1,0,1]=4 2428 B14R1.4389 Cc1ncsc1CCO[C@@H](CF)CCl 34a_100015614560_100000057103 [0,2,0,0,0,0|1,0,1]=4 2429 B14R1.4389 Cc1ncsc1CCO[C@@H](CF)CCl 7a_100015614560_100000057103 [0,2,0,0,0,0|1,0,1]=4 2430 B14R1.3567 CC(=O)OCSc1sc(cc1C)C=O 62a_100000076356_100000761930 [0,2,0,0,0,0|2,0,0]=4 2431 B14R1.3567 CC(=O)OCSc1sc(cc1C)C=O 62a_100000761930_100000076356 [0,2,0,0,0,0|2,0,0]=4 2432 B14R1.3567 CCc1nc(c(s1)SCCC(=O)C)C 62a_100000053229_100010138847 [0,2,0,0,0,0|2,0,0]=4 2433 B14R1.3567 CCc1nc(c(s1)SCCC(=O)C)C 62a_100010138847_100000053229 [0,2,0,0,0,0|2,0,0]=4 2434 B14R1.3567 CCc1nc(c(s1)SCOC(=O)C)C 62a_100000076356_100010138847 [0,2,0,0,0,0|1,0,0]=3 2435 B14R1.3567 CCc1nc(c(s1)SCOC(=O)C)C 62a_100010138847_100000076356 [0,2,0,0,0,0|1,0,0]=3 2436 B12R2.136 O=C1CC(C1)Sc2cncs2 62a_100009894365_100011934649 [1,0,0,1,0,0|2,0,0]=4 2437 B12R2.252 CC(=O)C1Cc2nccn2C1 1458a_100010353305_200000210301 [0,0,0,1,1,0|2,0,0]=4 2438 B12R2.252 [13CH3]C(=O)C1Cc2nccn2C1 1458a_100010353305_200025704644 [0,0,0,1,1,0|2,0,0]=4 2439 B14R2.781 CC(=O)N1CCc2cccnc2C1 11a_100015206102_100015343762 [0,0,0,1,0,1|2,0,0]=4 2440 B14R2.781 CC(=O)N1CCc2cccnc2C1 1626a_100015206102_100015343762 [0,0,0,1,0,1|2,0,0]=4 2441 B14R2.781 CC(=O)N1CCc2cccnc2C1 240690a_100015206102_100015343762 [0,0,0,1,0,1|2,0,0]=4 2442 B14R2.781 CC(=O)N1CCc2cccnc2C1 527a_100015206102_100103153847 [0,0,0,1,0,1|2,0,0]=4 2443 B14R2.781 CC(=O)N1CCc2ccncc2C1 11a_100015190008_100015343762 [0,0,0,1,0,1|2,0,0]=4 2444 B14R2.781 CC(=O)N1CCc2ccncc2C1 240690a_100015190008_100015343762 [0,0,0,1,0,1|2,0,0]=4 2445 B14R2.781 CC(=O)N1CCc2ccncc2C1 527a_100015190008_100103153847 [0,0,0,1,0,1|2,0,0]=4 2446 B14R2.781 CC(=O)N1CCc2ncncc2C1 11a_100012000121_100015343762 [0,0,0,1,0,1|2,0,0]=4 2447 B14R2.781 CC(=O)N1CCc2ncncc2C1 240690a_100012000121_100015343762 [0,0,0,1,0,1|2,0,0]=4 2448 B14R2.781 CC(=O)N1CCc2ncncc2C1 527a_100012000121_100103153847 [0,0,0,1,0,1|2,0,0]=4 2449 B14R2.259 Cc1ccsc1SC2COC(=O)O2 62a_100010247149_100000032252 [0,0,0,1,0,1|2,0,0]=4 2450 B14R2.259 Cc1ncsc1SC2COC(=O)O2 62a_100009817116_100000032252 [0,0,0,1,0,1|1,0,0]=3 2451 B14R2.259 Cc1nnsc1CN2CNC(=O)C2 2230a_200000708111_100000732739 [0,0,0,1,0,1|2,0,0]=4 2452 B14R2.269 Cc1ncsc1C2=CC(=O)CCC2 271570a_100000723966_100009817116 [0,0,0,1,0,1|1,0,1]=4 2453 B14R2.4734 Cc1ncsc1CCOCC2CC2 34a_100000211055_100000742324 [0,0,0,1,0,1|1,0,1]=4 2454 B14R2.4734 Cc1ncsc1CCOCC2CC2 34a_100000211283_100000057103 [0,0,0,1,0,1|1,0,1]=4 2455 B14R2.4734 Cc1ncsc1CCOCC2CC2 7a_100000211055_100000742324 [0,0,0,1,0,1|1,0,1]=4 2456 B14R2.4734 Cc1ncsc1CCOCC2CO2 34a_100000211055_102125554688 [0,0,0,1,0,1|0,0,2]=4 2457 B14R2.4734 Cc1ncsc1CCOCC2CO2 7a_100000211055_102125554688 [0,0,0,1,0,1|0,0,2]=4 2458 B14R2.4734 Cc1ncsc1CCOCC2CS2 7a_100000211055_100000031435 [0,0,0,1,0,1|0,1,1]=4 2459 B14R2.4734 Cc1ncsc1CCOC[C@@H]2CO2 34a_100000757423_100000057103 [0,0,0,1,0,1|0,0,2]=4 2460 B14R2.4734 Cc1ncsc1CCOC[C@@H]2CO2 7a_100000211055_100000745022 [0,0,0,1,0,1|0,0,2]=4 2461 B14R2.5305 C=C1CC(C1)NCc2scnc2C 207a_100132301982_100000764165 [0,0,0,1,0,1|2,0,0]=4 2462 B14R2.5305 Cc1ccsc1SCC2CC(=O)C2 62a_100009874392_100010247149 [0,0,0,1,0,1|2,0,0]=4 2463 B14R2.5305 Cc1ccsc1SCC2CC(=O)C2 62a_100010247149_100009874392 [0,0,0,1,0,1|2,0,0]=4 2464 B14R2.5305 Cc1ncsc1SCC2CC(=O)C2 62a_100009817116_100009874392 [0,0,0,1,0,1|1,0,0]=3 2465 B14R2.5305 Cc1ncsc1SCC2CC(=O)C2 62a_100009874392_100009817116 [0,0,0,1,0,1|1,0,0]=3 2466 B14R2.5305 Cc1nnsc1CSC2CC(=O)C2 62a_100009894365_100000732739 [0,0,0,1,0,1|2,0,0]=4 2467 B14R2.5998 CC(=O)N1CCc2sccc2C1C 11a_100000018849_100015343762 [0,1,0,1,0,0|2,0,0]=4 2468 B14R2.5998 CC(=O)N1CCc2sccc2C1C 240690a_100000018849_100015343762 [0,1,0,1,0,0|2,0,0]=4 2469 B14R2.5998 CC(=O)N1CCc2sccc2C1C 527a_100000018849_100103153847 [0,1,0,1,0,0|2,0,0]=4 2470 B14R2.319 Cc1ncsc1COC2CCC2=O 34a_100000750112_100009892977 [0,1,0,1,0,0|2,0,0]=4 2471 B14R2.319 Cc1ncsc1COC2CCC2=O 7a_100000750112_100009892977 [0,1,0,1,0,0|2,0,0]=4 2472 B14R2.5306 Cc1ncsc1CCOC2(CC2)C 7a_100011725673_100000057103 [0,1,0,1,0,0|1,0,1]=4 2473 B14R2.966 CCC(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_100000210202 [0,1,0,1,0,0|2,0,0]=4 2474 B14R2.966 CCC(=O)N1CCc2sccc2C1 11a_100015185043_100000210414 [0,1,0,1,0,0|2,0,0]=4 2475 B14R2.966 CCC(=O)N1CCc2sccc2C1 1626a_100015185043_100000210414 [0,1,0,1,0,0|2,0,0]=4 2476 B14R2.966 CCC(=O)N1CCc2sccc2C1 240690a_100015185043_100000210414 [0,1,0,1,0,0|2,0,0]=4 2477 B14R2.966 CCC(=O)N1CCc2sccc2C1 527a_100015185043_100000210414 [0,1,0,1,0,0|2,0,0]=4 2478 B14R2.966 CNC(=O)C1CCc2[nH]cnc2C1 240690a_100102657272_100015190355 [0,1,0,1,0,0|2,0,0]=4 2479 B14R2.966 CNC(=O)C1CCc2[nH]cnc2C1 527a_100102657272_100015190355 [0,1,0,1,0,0|2,0,0]=4 2480 B14R2.966 CNC(=O)N1CCc2sccc2C1 2708a_100102657272_100015185043 [0,1,0,1,0,0|2,0,0]=4 2481 B14R2.966 CNC(=O)N1CCc2sccc2C1 273464a_100102657272_100015185043 [0,1,0,1,0,0|2,0,0]=4 2482 B14R2.966 O=C(CF)C1CCc2[nH]cnc2C1 1458a_100015190355_100015361967 [0,1,0,1,0,0|2,0,0]=4 2483 B14R2.966 O=C(CO)N1CCc2sccc2C1 240690a_100015185043_100000210174 [0,1,0,1,0,0|2,0,0]=4 2484 B14R2.966 O=C(CO)N1CCc2sccc2C1 527a_100015185043_100000210174 [0,1,0,1,0,0|2,0,0]=4 2485 B14R2.5216 Cc1ncsc1CCOC2CCC2 34a_100000211055_100000749161 [0,1,0,1,0,0|1,0,1]=4 2486 B14R2.5216 Cc1ncsc1CCOC2CCC2 34a_100000748187_100000057103 [0,1,0,1,0,0|1,0,1]=4 2487 B14R2.5216 Cc1ncsc1CCOC2COC2 34a_100000211055_100009818527 [0,1,0,1,0,0|0,0,2]=4 2488 B14R2.5216 Cc1ncsc1CCOC2COC2 7a_100000211055_100009818527 [0,1,0,1,0,0|0,0,2]=4 2489 B14R2.5216 Cc1ncsc1CCOC2CSC2 7a_100000072292_100000057103 [0,1,0,1,0,0|0,1,1]=4 2490 B14R2.601 CC(=O)N1CCc2sc(cc2C1)Br 11a_100025757484_100015343762 [0,1,0,1,0,0|2,0,0]=4 2491 B14R2.601 CC(=O)N1CCc2sc(cc2C1)Br 240690a_100025757484_100015343762 [0,1,0,1,0,0|2,0,0]=4 2492 B14R2.601 CC(=O)N1CCc2sc(cc2C1)Br 527a_100025757484_100103153847 [0,1,0,1,0,0|2,0,0]=4 2493 B14R2.601 CC(=O)N1CCc2sc(nc2C1)C 11a_202275494904_100015343762 [0,1,0,1,0,0|1,0,0]=3 2494 B14R2.601 CC(=O)N1CCc2sc(nc2C1)C 1626a_202275494904_100015343762 [0,1,0,1,0,0|1,0,0]=3 2495 B14R2.601 CC(=O)N1CCc2sc(nc2C1)C 240690a_202275494904_100015343762 [0,1,0,1,0,0|1,0,0]=3 2496 B14R2.601 CC(=O)N1CCc2sc(nc2C1)C 527a_202275494904_100103153847 [0,1,0,1,0,0|1,0,0]=3 2497 B14R2.20835 Cc1nc(c(s1)SC2CC(=O)C2)C 62a_100009894365_100009814099 [0,1,0,1,0,0|2,0,0]=4 2498 B14R2.20835 Cc1nc(sc1SC2CC(=O)C2)N 62a_100009894365_100159269596 [0,1,0,1,0,0|2,0,0]=4 2499 B10R1.66 C=C(C)CSc1cncs1 62a_100000748629_100011934649 [1,0,0,0,1,0|2,0,0]=4 2500 B10R1.66 C=C(C)CSc1cncs1 62a_100011934649_100000211660 [1,0,0,0,1,0|2,0,0]=4 2501 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [1,0,0,0,1,0|1,0,1]=4 2502 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [1,0,0,0,1,0|1,0,1]=4 2503 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [1,0,0,0,1,0|2,0,0]=4 2504 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,0,0,0,1,0|1,1,0]=4 2505 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [1,0,0,0,1,0|1,0,0]=3 2506 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [1,0,0,0,1,0|1,0,0]=3 2507 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [1,0,0,0,1,0|2,0,0]=4 2508 B10R1.66 CC(=O)CCc1cn[nH]c1 1458a_100000070787_100000743252 [1,0,0,0,1,0|2,0,0]=4 2509 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [1,0,0,0,1,0|1,0,0]=3 2510 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [1,0,0,0,1,0|0,0,0]=2 2511 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [1,0,0,0,1,0|2,0,0]=4 2512 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000070787_100000702546 [1,0,0,0,1,0|2,0,0]=4 2513 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000176952_200000210301 [1,0,0,0,1,0|2,0,0]=4 2514 B10R1.66 CC(=O)CCn1cncn1 1458a_100000070787_100000731791 [1,0,0,0,1,0|2,0,0]=4 2515 B10R1.66 CC(=O)CCn1cncn1 1458a_100000242768_200000210301 [1,0,0,0,1,0|2,0,0]=4 2516 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [1,0,0,0,1,0|2,0,0]=4 2517 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [1,0,0,0,1,0|2,0,0]=4 2518 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [1,0,0,0,1,0|2,0,0]=4 2519 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [1,0,0,0,1,0|2,0,0]=4 2520 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [1,0,0,0,1,0|1,1,0]=4 2521 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [1,0,0,0,1,0|1,1,0]=4 2522 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [1,0,0,0,1,0|1,1,0]=4 2523 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [1,0,0,0,1,0|1,0,0]=3 2524 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [1,0,0,0,1,0|1,0,0]=3 2525 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [1,0,0,0,1,0|1,0,0]=3 2526 B10R1.66 CC(C)OCc1cncs1 34a_100000212225_100015185245 [1,0,0,0,1,0|1,0,1]=4 2527 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [1,0,0,0,1,0|2,0,0]=4 2528 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [1,0,0,0,1,0|2,0,0]=4 2529 B10R1.66 O=C([O-])CSc1cncs1 62a_100011934649_100020667443 [1,0,0,0,1,0|2,0,0]=4 2530 B10R1.66 O=C([O-])CSc1cncs1 62a_100020667443_100011934649 [1,0,0,0,1,0|2,0,0]=4 2531 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [1,0,0,0,1,0|1,0,1]=4 2532 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [1,0,0,0,1,0|2,0,0]=4 2533 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,0,0,0,1,0|1,1,0]=4 2534 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [1,0,0,0,1,0|1,0,0]=3 2535 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [1,0,0,0,1,0|2,0,0]=4 2536 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [1,0,0,0,1,0|1,0,0]=3 2537 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [1,0,0,0,1,0|0,0,0]=2 2538 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [1,0,0,0,1,0|2,0,0]=4 2539 B10R1.66 [13CH3]C(=O)CCn1ccnc1 1458a_100000176952_200025704644 [1,0,0,0,1,0|2,0,0]=4 2540 B10R1.66 [13CH3]C(=O)CCn1cncn1 1458a_100000242768_200025704644 [1,0,0,0,1,0|2,0,0]=4 2541 B10R1.64 CC(=Cc1scnc1C)C 271570a_100102525489_100009817116 [0,0,0,0,2,0|1,0,1]=4 2542 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,0,0,0,2,0|2,0,0]=4 2543 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,0,0,0,2,0|1,0,1]=4 2544 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,0,0,0,2,0|2,0,0]=4 2545 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000070787_200000044682 [0,0,0,0,2,0|2,0,0]=4 2546 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000238572_200000210301 [0,0,0,0,2,0|2,0,0]=4 2547 B10R1.64 CC(=O)Cc1snnc1C 1458a_100000070787_100000732739 [0,0,0,0,2,0|1,0,0]=3 2548 B10R1.64 CC(=O)Cn1ccnc1C 1458a_100000740315_200000210301 [0,0,0,0,2,0|2,0,0]=4 2549 B10R1.64 Cc1nccn1CC(=O)[13CH3] 1458a_100000740315_200025704644 [0,0,0,0,2,0|2,0,0]=4 2550 B10R1.64 Cc1nonc1CC(=O)[13CH3] 1458a_100000238572_200025704644 [0,0,0,0,2,0|2,0,0]=4 2551 B14R1.148 CC(=O)CCCOc1ccnc(c1)C 34a_100000688365_100000685027 [0,0,0,0,0,2|2,0,0]=4 2552 B14R1.148 CC(=O)CCCSc1cc(ncn1)C 62a_100000744208_100011215641 [0,0,0,0,0,2|2,0,0]=4 2553 B14R1.148 CC(=O)CCCSc1cc(ncn1)C 62a_100011215641_100000744208 [0,0,0,0,0,2|2,0,0]=4 2554 B14R1.148 CC(=O)CCCSc1ccnc(c1)C 62a_100000758586_100011215641 [0,0,0,0,0,2|2,0,0]=4 2555 B14R1.148 CC(=O)CCCSc1ccnc(c1)C 62a_100011215641_100000758586 [0,0,0,0,0,2|2,0,0]=4 2556 B14R1.148 CC(=O)CCCSc1ccnc(n1)C 62a_100000749937_100011215641 [0,0,0,0,0,2|2,0,0]=4 2557 B14R1.148 CC(=O)CCCSc1ccnc(n1)C 62a_100011215641_100000749937 [0,0,0,0,0,2|2,0,0]=4 2558 B14R1.148 CC(=O)CCOCc1ccnc(c1)C 34a_100000759926_200020672517 [0,0,0,0,0,2|2,0,0]=4 2559 B14R1.148 CC(=O)CCOCc1ccnc(c1)C 7a_100000759926_200020672517 [0,0,0,0,0,2|2,0,0]=4 2560 B14R1.148 CC(=O)CCSCc1ccnc(c1)C 62a_100000053229_200020672517 [0,0,0,0,0,2|2,0,0]=4 2561 B14R1.148 CC(=O)CCSCc1ccnc(c1)C 62a_200020672517_100000053229 [0,0,0,0,0,2|2,0,0]=4 2562 B14R1.148 CC(=O)COCCc1cccc(c1)C 34a_100000211253_100011713685 [0,0,0,0,0,2|2,0,0]=4 2563 B14R1.148 CC(=O)NCCNc1cc(ncn1)C 27a_100000209853_100000744208 [0,0,0,0,0,2|2,0,0]=4 2564 B14R1.148 CC(=O)NCCNc1ccnc(c1)C 27a_100000209853_100000758586 [0,0,0,0,0,2|2,0,0]=4 2565 B14R1.148 CC(=O)NCCNc1ccnc(n1)C 27a_100000209853_100000749937 [0,0,0,0,0,2|2,0,0]=4 2566 B14R1.148 CC(=O)NCCSc1cc(ncn1)C 62a_100000189650_100000744208 [0,0,0,0,0,2|2,0,0]=4 2567 B14R1.148 CC(=O)NCCSc1cc(ncn1)C 62a_100000744208_100000189650 [0,0,0,0,0,2|2,0,0]=4 2568 B14R1.148 CC(=O)NCCSc1ccnc(c1)C 62a_100000189650_100000758586 [0,0,0,0,0,2|2,0,0]=4 2569 B14R1.148 CC(=O)NCCSc1ccnc(c1)C 62a_100000758586_100000189650 [0,0,0,0,0,2|2,0,0]=4 2570 B14R1.148 CC(=O)NCCSc1ccnc(n1)C 62a_100000189650_100000749937 [0,0,0,0,0,2|2,0,0]=4 2571 B14R1.148 CC(=O)NCCSc1ccnc(n1)C 62a_100000749937_100000189650 [0,0,0,0,0,2|2,0,0]=4 2572 B14R1.148 CC(=O)OCC=Cc1cc(ncn1)C 271570a_200000047263_100000744208 [0,0,0,0,0,2|1,0,1]=4 2573 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)C 271570a_200000047263_100000758586 [0,0,0,0,0,2|1,0,1]=4 2574 B14R1.148 CC(=O)OCC=Cc1ccnc(n1)C 271570a_200000047263_100000749937 [0,0,0,0,0,2|1,0,1]=4 2575 B14R1.148 CC(=O)OCCNc1cccc(c1)C 34a_100000188690_100009814007 [0,0,0,0,0,2|2,0,0]=4 2576 B14R1.148 CC(=O)OCCOc1cccc(c1)C 34a_100000210337_100009814007 [0,0,0,0,0,2|2,0,0]=4 2577 B14R1.148 CC(=O)OCCOc1cccc(c1)C 7a_100000210337_100009814007 [0,0,0,0,0,2|2,0,0]=4 2578 B14R1.148 CC(=O)OCCOc1ccnc(c1)C 34a_100000688365_100009814007 [0,0,0,0,0,2|1,0,0]=3 2579 B14R1.148 CC(=O)OCCOc1ccnc(c1)Cl 34a_100000762945_100009814007 [0,0,0,0,0,2|2,0,0]=4 2580 B14R1.148 CC(=O)OCCOc1ccnc(c1)F 34a_100000732698_100009814007 [0,0,0,0,0,2|2,0,0]=4 2581 B14R1.148 CC(=O)OCCOc1ccnc(c1)N 34a_100011834064_100009814007 [0,0,0,0,0,2|2,0,0]=4 2582 B14R1.148 CC(=O)OCCSc1cc(ccn1)C 62a_100000750283_100009814007 [0,0,0,0,0,2|2,0,0]=4 2583 B14R1.148 CC(=O)OCCSc1cc(ccn1)C 62a_100009814007_100000750283 [0,0,0,0,0,2|2,0,0]=4 2584 B14R1.148 CC(=O)OCCSc1cc(ncn1)C 62a_100000744208_100009814007 [0,0,0,0,0,2|1,0,0]=3 2585 B14R1.148 CC(=O)OCCSc1cc(ncn1)C 62a_100009814007_100000744208 [0,0,0,0,0,2|1,0,0]=3 2586 B14R1.148 CC(=O)OCCSc1cc(ncn1)Cl 62a_100009814007_100010161198 [0,0,0,0,0,2|2,0,0]=4 2587 B14R1.148 CC(=O)OCCSc1cc(ncn1)Cl 62a_100010161198_100009814007 [0,0,0,0,0,2|2,0,0]=4 2588 B14R1.148 CC(=O)OCCSc1cc(ncn1)F 62a_100009814007_200009880791 [0,0,0,0,0,2|2,0,0]=4 2589 B14R1.148 CC(=O)OCCSc1cc(ncn1)F 62a_200009880791_100009814007 [0,0,0,0,0,2|2,0,0]=4 2590 B14R1.148 CC(=O)OCCSc1cc(ncn1)N 62a_100000701291_100009814007 [0,0,0,0,0,2|2,0,0]=4 2591 B14R1.148 CC(=O)OCCSc1cc(ncn1)N 62a_100009814007_100000701291 [0,0,0,0,0,2|2,0,0]=4 2592 B14R1.148 CC(=O)OCCSc1cc(ncn1)O 62a_100009814007_100000765262 [0,0,0,0,0,2|2,0,0]=4 2593 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100009814007_100011215228 [0,0,0,0,0,2|2,0,0]=4 2594 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100011215228_100009814007 [0,0,0,0,0,2|2,0,0]=4 2595 B14R1.148 CC(=O)OCCSc1cccc(n1)C 62a_100000742759_100009814007 [0,0,0,0,0,2|2,0,0]=4 2596 B14R1.148 CC(=O)OCCSc1cccc(n1)C 62a_100009814007_100000742759 [0,0,0,0,0,2|2,0,0]=4 2597 B14R1.148 CC(=O)OCCSc1ccnc(c1)Br 62a_100009814007_100009814637 [0,0,0,0,0,2|2,0,0]=4 2598 B14R1.148 CC(=O)OCCSc1ccnc(c1)Br 62a_100009814637_100009814007 [0,0,0,0,0,2|2,0,0]=4 2599 B14R1.148 CC(=O)OCCSc1ccnc(c1)C 62a_100000758586_100009814007 [0,0,0,0,0,2|1,0,0]=3 2600 B14R1.148 CC(=O)OCCSc1ccnc(c1)C 62a_100009814007_100000758586 [0,0,0,0,0,2|1,0,0]=3 2601 B14R1.148 CC(=O)OCCSc1ccnc(c1)Cl 62a_100000035001_100009814007 [0,0,0,0,0,2|2,0,0]=4 2602 B14R1.148 CC(=O)OCCSc1ccnc(c1)Cl 62a_100009814007_100000035001 [0,0,0,0,0,2|2,0,0]=4 2603 B14R1.148 CC(=O)OCCSc1ccnc(c1)F 62a_100009814007_100009816116 [0,0,0,0,0,2|2,0,0]=4 2604 B14R1.148 CC(=O)OCCSc1ccnc(c1)F 62a_100009816116_100009814007 [0,0,0,0,0,2|2,0,0]=4 2605 B14R1.148 CC(=O)OCCSc1ccnc(c1)N 62a_100000049665_100009814007 [0,0,0,0,0,2|2,0,0]=4 2606 B14R1.148 CC(=O)OCCSc1ccnc(c1)N 62a_100009814007_100000049665 [0,0,0,0,0,2|2,0,0]=4 2607 B14R1.148 CC(=O)OCCSc1ccnc(n1)C 62a_100000749937_100009814007 [0,0,0,0,0,2|1,0,0]=3 2608 B14R1.148 CC(=O)OCCSc1ccnc(n1)C 62a_100009814007_100000749937 [0,0,0,0,0,2|1,0,0]=3 2609 B14R1.148 CC(=O)OCCSc1ccnc(n1)Cl 62a_100009814007_100010154678 [0,0,0,0,0,2|2,0,0]=4 2610 B14R1.148 CC(=O)OCCSc1ccnc(n1)Cl 62a_100010154678_100009814007 [0,0,0,0,0,2|2,0,0]=4 2611 B14R1.148 CC(=O)OCCSc1ccnc(n1)N 62a_100000055538_100009814007 [0,0,0,0,0,2|2,0,0]=4 2612 B14R1.148 CC(=O)OCCSc1ccnc(n1)N 62a_100009814007_100000055538 [0,0,0,0,0,2|2,0,0]=4 2613 B14R1.148 CC(=O)OCCSc1nccc(n1)C 62a_100009814007_100011243806 [0,0,0,0,0,2|2,0,0]=4 2614 B14R1.148 CC(=O)OCCSc1nccc(n1)C 62a_100011243806_100009814007 [0,0,0,0,0,2|2,0,0]=4 2615 B14R1.148 CC(=O)OCCSc1ncnc(n1)N 62a_100000123831_100009814007 [0,0,0,0,0,2|2,0,0]=4 2616 B14R1.148 CC(=O)OCCSc1ncnc(n1)N 62a_100009814007_100000123831 [0,0,0,0,0,2|2,0,0]=4 2617 B14R1.148 CC(=O)OCNCc1cccc(c1)C 34a_100000185548_100009813279 [0,0,0,0,0,2|2,0,0]=4 2618 B14R1.148 CC(=O)OCNCc1cccc(n1)C 34a_100000701342_100009813279 [0,0,0,0,0,2|2,0,0]=4 2619 B14R1.148 CC(=O)OCNCc1ccnc(c1)Br 34a_100025757509_100009813279 [0,0,0,0,0,2|2,0,0]=4 2620 B14R1.148 CC(=O)OCNCc1ccnc(c1)C 34a_100011934566_100009813279 [0,0,0,0,0,2|1,0,0]=3 2621 B14R1.148 CC(=O)OCNCc1ccnc(c1)Cl 34a_100015205668_100009813279 [0,0,0,0,0,2|2,0,0]=4 2622 B14R1.148 CC(=O)OCNCc1ccnc(c1)F 34a_100015188774_100009813279 [0,0,0,0,0,2|2,0,0]=4 2623 B14R1.148 CC(=O)OCOCc1cc(ccn1)C 34a_100011998357_100009813279 [0,0,0,0,0,2|2,0,0]=4 2624 B14R1.148 CC(=O)OCOCc1cccc(c1)C 34a_100011217746_100009813279 [0,0,0,0,0,2|2,0,0]=4 2625 B14R1.148 CC(=O)OCOCc1cccc(n1)C 34a_100000690600_100009813279 [0,0,0,0,0,2|2,0,0]=4 2626 B14R1.148 CC(=O)OCOCc1ccnc(c1)Br 34a_100009814636_100009813279 [0,0,0,0,0,2|2,0,0]=4 2627 B14R1.148 CC(=O)OCOCc1ccnc(c1)C 34a_100011998630_100009813279 [0,0,0,0,0,2|1,0,0]=3 2628 B14R1.148 CC(=O)OCOCc1ccnc(c1)Cl 34a_100000748751_100009813279 [0,0,0,0,0,2|2,0,0]=4 2629 B14R1.148 CC(=O)OCOCc1ccnc(c1)F 34a_100000082451_100009813279 [0,0,0,0,0,2|2,0,0]=4 2630 B14R1.148 CC(=O)OCSCc1cc(ccn1)C 62a_100000076356_100000718516 [0,0,0,0,0,2|2,0,0]=4 2631 B14R1.148 CC(=O)OCSCc1cc(ccn1)C 62a_100000718516_100000076356 [0,0,0,0,0,2|2,0,0]=4 2632 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000076356_100000211840 [0,0,0,0,0,2|2,0,0]=4 2633 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000211840_100000076356 [0,0,0,0,0,2|2,0,0]=4 2634 B14R1.148 CC(=O)OCSCc1cccc(n1)C 62a_100000076356_100000757606 [0,0,0,0,0,2|2,0,0]=4 2635 B14R1.148 CC(=O)OCSCc1cccc(n1)C 62a_100000757606_100000076356 [0,0,0,0,0,2|2,0,0]=4 2636 B14R1.148 CC(=O)OCSCc1ccnc(c1)Br 62a_100000076356_100010243470 [0,0,0,0,0,2|2,0,0]=4 2637 B14R1.148 CC(=O)OCSCc1ccnc(c1)Br 62a_100010254460_100000076356 [0,0,0,0,0,2|2,0,0]=4 2638 B14R1.148 CC(=O)OCSCc1ccnc(c1)C 62a_100000076356_200020672517 [0,0,0,0,0,2|1,0,0]=3 2639 B14R1.148 CC(=O)OCSCc1ccnc(c1)C 62a_200020672517_100000076356 [0,0,0,0,0,2|1,0,0]=3 2640 B14R1.148 CC(=O)OCSCc1ccnc(c1)Cl 62a_100000076356_100000764220 [0,0,0,0,0,2|2,0,0]=4 2641 B14R1.148 CC(=O)OCSCc1ccnc(c1)Cl 62a_100000764220_100000076356 [0,0,0,0,0,2|2,0,0]=4 2642 B14R1.148 CC(=O)OCSCc1ccnc(n1)Cl 62a_100000076356_100000099655 [0,0,0,0,0,2|2,0,0]=4 2643 B14R1.148 CC(=O)OCSCc1ccnc(n1)Cl 62a_100000099655_100000076356 [0,0,0,0,0,2|2,0,0]=4 2644 B14R1.148 Cc1cc(ccn1)OCCOC(=O)N 34a_100000688365_200011214921 [0,0,0,0,0,2|2,0,0]=4 2645 B14R1.148 Cc1cc(ccn1)SCCOC(=O)N 62a_100000758586_200011214921 [0,0,0,0,0,2|2,0,0]=4 2646 B14R1.148 Cc1cc(ccn1)SCCOC(=O)N 62a_200011214921_100000758586 [0,0,0,0,0,2|2,0,0]=4 2647 B14R1.148 Cc1cc(ncn1)SCCOC(=O)N 62a_100000744208_200011214921 [0,0,0,0,0,2|2,0,0]=4 2648 B14R1.148 Cc1cc(ncn1)SCCOC(=O)N 62a_200011214921_100000744208 [0,0,0,0,0,2|2,0,0]=4 2649 B14R1.148 Cc1nccc(n1)SCCOC(=O)N 62a_100000749937_200011214921 [0,0,0,0,0,2|2,0,0]=4 2650 B14R1.148 Cc1nccc(n1)SCCOC(=O)N 62a_200011214921_100000749937 [0,0,0,0,0,2|2,0,0]=4 2651 B14R1.159 CC(=O)CCCOc1cccnc1C 34a_100000745507_100000685027 [0,0,0,0,0,2|2,0,0]=4 2652 B14R1.159 CC(=O)CCCOc1cccnc1C 7a_100000745507_100011215641 [0,0,0,0,0,2|2,0,0]=4 2653 B14R1.159 CC(=O)CCCOc1ccncc1C 34a_100000694293_100000685027 [0,0,0,0,0,2|2,0,0]=4 2654 B14R1.159 CC(=O)CCCOc1nccnc1C 34a_100000766352_100000685027 [0,0,0,0,0,2|2,0,0]=4 2655 B14R1.159 CC(=O)CCCSc1cccnc1C 62a_100000751574_100011215641 [0,0,0,0,0,2|2,0,0]=4 2656 B14R1.159 CC(=O)CCCSc1cccnc1C 62a_100011215641_100000751574 [0,0,0,0,0,2|2,0,0]=4 2657 B14R1.159 CC(=O)CCCSc1ccncc1C 62a_100000765111_100011215641 [0,0,0,0,0,2|2,0,0]=4 2658 B14R1.159 CC(=O)CCCSc1ccncc1C 62a_100011215641_100000765111 [0,0,0,0,0,2|2,0,0]=4 2659 B14R1.159 CC(=O)CCCSc1cncnc1C 62a_100009819671_100011215641 [0,0,0,0,0,2|2,0,0]=4 2660 B14R1.159 CC(=O)CCCSc1cncnc1C 62a_100011215641_100009819671 [0,0,0,0,0,2|2,0,0]=4 2661 B14R1.159 CC(=O)CCCSc1nccnc1C 62a_100011215641_100011999405 [0,0,0,0,0,2|2,0,0]=4 2662 B14R1.159 CC(=O)CCCSc1nccnc1C 62a_100011999405_100011215641 [0,0,0,0,0,2|2,0,0]=4 2663 B14R1.159 CC(=O)CCCSc1ncncc1C 62a_100011215641_100011998708 [0,0,0,0,0,2|2,0,0]=4 2664 B14R1.159 CC(=O)CCCSc1ncncc1C 62a_100011998708_100011215641 [0,0,0,0,0,2|2,0,0]=4 2665 B14R1.159 CC(=O)CCOCc1cccnc1C 34a_100000759926_100000732876 [0,0,0,0,0,2|2,0,0]=4 2666 B14R1.159 CC(=O)CCOCc1cccnc1C 7a_100000729262_100000053229 [0,0,0,0,0,2|2,0,0]=4 2667 B14R1.159 CC(=O)CCOCc1cccnc1C 7a_100000759926_100000732876 [0,0,0,0,0,2|2,0,0]=4 2668 B14R1.159 CC(=O)CCOCc1ccncc1C 34a_100000759926_100020672809 [0,0,0,0,0,2|2,0,0]=4 2669 B14R1.159 CC(=O)CCOCc1ccncc1C 7a_100000759926_100020672808 [0,0,0,0,0,2|2,0,0]=4 2670 B14R1.159 CC(=O)CCSCc1cccnc1C 62a_100000053229_100000732876 [0,0,0,0,0,2|2,0,0]=4 2671 B14R1.159 CC(=O)CCSCc1cccnc1C 62a_100000732876_100000053229 [0,0,0,0,0,2|2,0,0]=4 2672 B14R1.159 CC(=O)CCSCc1ccncc1C 62a_100000053229_100020672808 [0,0,0,0,0,2|2,0,0]=4 2673 B14R1.159 CC(=O)CCSCc1ccncc1C 62a_100020672808_100000053229 [0,0,0,0,0,2|2,0,0]=4 2674 B14R1.159 CC(=O)COCCc1ccccc1C 34a_100000211253_100011713688 [0,0,0,0,0,2|2,0,0]=4 2675 B14R1.159 CC(=O)NCCNc1ccncc1C 27a_100000209853_100000765111 [0,0,0,0,0,2|2,0,0]=4 2676 B14R1.159 CC(=O)NCCNc1nccnc1C 27a_100000209853_100011999405 [0,0,0,0,0,2|2,0,0]=4 2677 B14R1.159 CC(=O)NCCNc1ncncc1C 27a_100000209853_100011998708 [0,0,0,0,0,2|2,0,0]=4 2678 B14R1.159 CC(=O)NCCOc1cccnc1C 7a_100000745507_100000189650 [0,0,0,0,0,2|2,0,0]=4 2679 B14R1.159 CC(=O)NCCSc1cccnc1C 62a_100000189650_100000751574 [0,0,0,0,0,2|2,0,0]=4 2680 B14R1.159 CC(=O)NCCSc1cccnc1C 62a_100000751574_100000189650 [0,0,0,0,0,2|2,0,0]=4 2681 B14R1.159 CC(=O)NCCSc1ccncc1C 62a_100000189650_100000765111 [0,0,0,0,0,2|2,0,0]=4 2682 B14R1.159 CC(=O)NCCSc1ccncc1C 62a_100000765111_100000189650 [0,0,0,0,0,2|2,0,0]=4 2683 B14R1.159 CC(=O)NCCSc1cncnc1C 62a_100000189650_100009819671 [0,0,0,0,0,2|2,0,0]=4 2684 B14R1.159 CC(=O)NCCSc1cncnc1C 62a_100009819671_100000189650 [0,0,0,0,0,2|2,0,0]=4 2685 B14R1.159 CC(=O)NCCSc1nccnc1C 62a_100000189650_100011999405 [0,0,0,0,0,2|2,0,0]=4 2686 B14R1.159 CC(=O)NCCSc1nccnc1C 62a_100011999405_100000189650 [0,0,0,0,0,2|2,0,0]=4 2687 B14R1.159 CC(=O)NCCSc1ncncc1C 62a_100000189650_100011998708 [0,0,0,0,0,2|2,0,0]=4 2688 B14R1.159 CC(=O)NCCSc1ncncc1C 62a_100011998708_100000189650 [0,0,0,0,0,2|2,0,0]=4 2689 B14R1.159 CC(=O)OCC=Cc1cccnc1C 271570a_200000047263_100000751574 [0,0,0,0,0,2|1,0,1]=4 2690 B14R1.159 CC(=O)OCC=Cc1ccncc1C 271570a_200000047263_100015191297 [0,0,0,0,0,2|1,0,1]=4 2691 B14R1.159 CC(=O)OCC=Cc1cncnc1C 271570a_200000047263_100009819671 [0,0,0,0,0,2|1,0,1]=4 2692 B14R1.159 CC(=O)OCC=Cc1nccnc1C 271570a_200000047263_100011999405 [0,0,0,0,0,2|1,0,1]=4 2693 B14R1.159 CC(=O)OCC=Cc1ncncc1C 271570a_200000047263_100011998708 [0,0,0,0,0,2|1,0,1]=4 2694 B14R1.159 CC(=O)OCCNc1ccccc1C 34a_100015192222_100009814007 [0,0,0,0,0,2|2,0,0]=4 2695 B14R1.159 CC(=O)OCCOc1ccccc1C 34a_100000210338_100009814007 [0,0,0,0,0,2|2,0,0]=4 2696 B14R1.159 CC(=O)OCCOc1ccccc1C 7a_100000210338_100009814007 [0,0,0,0,0,2|2,0,0]=4 2697 B14R1.159 CC(=O)OCCOc1cccnc1Br 34a_100000744436_100009814007 [0,0,0,0,0,2|2,0,0]=4 2698 B14R1.159 CC(=O)OCCOc1cccnc1Br 7a_100000744436_100009814007 [0,0,0,0,0,2|2,0,0]=4 2699 B14R1.159 CC(=O)OCCOc1cccnc1C 34a_100000745507_100009814007 [0,0,0,0,0,2|1,0,0]=3 2700 B14R1.159 CC(=O)OCCOc1cccnc1C 7a_100000745507_100009814007 [0,0,0,0,0,2|1,0,0]=3 2701 B14R1.159 CC(=O)OCCOc1cccnc1Cl 34a_100000757616_100009814007 [0,0,0,0,0,2|2,0,0]=4 2702 B14R1.159 CC(=O)OCCOc1cccnc1Cl 7a_100000757616_100009814007 [0,0,0,0,0,2|2,0,0]=4 2703 B14R1.159 CC(=O)OCCOc1cccnc1F 34a_100000061740_100009814007 [0,0,0,0,0,2|2,0,0]=4 2704 B14R1.159 CC(=O)OCCOc1cccnc1F 7a_100000061740_100009814007 [0,0,0,0,0,2|2,0,0]=4 2705 B14R1.159 CC(=O)OCCOc1cccnc1I 34a_100000034122_100009814007 [0,0,0,0,0,2|2,0,0]=4 2706 B14R1.159 CC(=O)OCCOc1cccnc1I 7a_100000034122_100009814007 [0,0,0,0,0,2|2,0,0]=4 2707 B14R1.159 CC(=O)OCCOc1cccnc1N 34a_100000211975_100009814007 [0,0,0,0,0,2|2,0,0]=4 2708 B14R1.159 CC(=O)OCCOc1cccnc1N 7a_100000211975_100009814007 [0,0,0,0,0,2|2,0,0]=4 2709 B14R1.159 CC(=O)OCCOc1ccncc1Br 34a_100011996408_100009814007 [0,0,0,0,0,2|2,0,0]=4 2710 B14R1.159 CC(=O)OCCOc1ccncc1C 34a_100000694293_100009814007 [0,0,0,0,0,2|1,0,0]=3 2711 B14R1.159 CC(=O)OCCOc1ccncc1Cl 34a_100011997054_100009814007 [0,0,0,0,0,2|2,0,0]=4 2712 B14R1.159 CC(=O)OCCOc1ccncc1F 34a_200000081243_100009814007 [0,0,0,0,0,2|2,0,0]=4 2713 B14R1.159 CC(=O)OCCOc1cnccc1C 34a_100011997053_100009814007 [0,0,0,0,0,2|2,0,0]=4 2714 B14R1.159 CC(=O)OCCOc1cnccc1C 7a_100011997053_100009814007 [0,0,0,0,0,2|2,0,0]=4 2715 B14R1.159 CC(=O)OCCOc1cncnc1N 7a_100000112926_100009814007 [0,0,0,0,0,2|2,0,0]=4 2716 B14R1.159 CC(=O)OCCOc1nccnc1C 34a_100000766352_100009814007 [0,0,0,0,0,2|1,0,0]=3 2717 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100000210755_100009814007 [0,0,0,0,0,2|2,0,0]=4 2718 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100009814007_100000210755 [0,0,0,0,0,2|2,0,0]=4 2719 B14R1.159 CC(=O)OCCSc1cccnc1Br 62a_100009814007_100010202626 [0,0,0,0,0,2|2,0,0]=4 2720 B14R1.159 CC(=O)OCCSc1cccnc1Br 62a_100010202626_100009814007 [0,0,0,0,0,2|2,0,0]=4 2721 B14R1.159 CC(=O)OCCSc1cccnc1C 62a_100000751574_100009814007 [0,0,0,0,0,2|1,0,0]=3 2722 B14R1.159 CC(=O)OCCSc1cccnc1C 62a_100009814007_100000751574 [0,0,0,0,0,2|1,0,0]=3 2723 B14R1.159 CC(=O)OCCSc1cccnc1Cl 62a_100000036424_100009814007 [0,0,0,0,0,2|2,0,0]=4 2724 B14R1.159 CC(=O)OCCSc1cccnc1Cl 62a_100009814007_100000036424 [0,0,0,0,0,2|2,0,0]=4 2725 B14R1.159 CC(=O)OCCSc1cccnc1F 62a_100009814007_100009816115 [0,0,0,0,0,2|2,0,0]=4 2726 B14R1.159 CC(=O)OCCSc1cccnc1F 62a_100009816115_100009814007 [0,0,0,0,0,2|2,0,0]=4 2727 B14R1.159 CC(=O)OCCSc1cccnc1N 62a_100000045569_100009814007 [0,0,0,0,0,2|2,0,0]=4 2728 B14R1.159 CC(=O)OCCSc1cccnc1N 62a_100009814007_100000045569 [0,0,0,0,0,2|2,0,0]=4 2729 B14R1.159 CC(=O)OCCSc1cccnc1O 62a_100000760158_100009814007 [0,0,0,0,0,2|2,0,0]=4 2730 B14R1.159 CC(=O)OCCSc1cccnc1O 62a_100009814007_100000760158 [0,0,0,0,0,2|2,0,0]=4 2731 B14R1.159 CC(=O)OCCSc1ccn[nH]c1=O 62a_100009814007_100000087129 [0,0,0,0,0,2|2,0,0]=4 2732 B14R1.159 CC(=O)OCCSc1ccncc1Br 62a_100000726257_100009814007 [0,0,0,0,0,2|2,0,0]=4 2733 B14R1.159 CC(=O)OCCSc1ccncc1Br 62a_100009814007_100000726257 [0,0,0,0,0,2|2,0,0]=4 2734 B14R1.159 CC(=O)OCCSc1ccncc1C 62a_100000765111_100009814007 [0,0,0,0,0,2|1,0,0]=3 2735 B14R1.159 CC(=O)OCCSc1ccncc1C 62a_100009814007_100000765111 [0,0,0,0,0,2|1,0,0]=3 2736 B14R1.159 CC(=O)OCCSc1ccncc1Cl 62a_100000708259_100009814007 [0,0,0,0,0,2|2,0,0]=4 2737 B14R1.159 CC(=O)OCCSc1ccncc1Cl 62a_100009814007_100000708259 [0,0,0,0,0,2|2,0,0]=4 2738 B14R1.159 CC(=O)OCCSc1ccncc1F 62a_100000047030_100009814007 [0,0,0,0,0,2|2,0,0]=4 2739 B14R1.159 CC(=O)OCCSc1ccncc1F 62a_100009814007_100000047030 [0,0,0,0,0,2|2,0,0]=4 2740 B14R1.159 CC(=O)OCCSc1ccncc1N 62a_100000756074_100009814007 [0,0,0,0,0,2|2,0,0]=4 2741 B14R1.159 CC(=O)OCCSc1ccncc1N 62a_100009814007_100000756074 [0,0,0,0,0,2|2,0,0]=4 2742 B14R1.159 CC(=O)OCCSc1ccncc1O 62a_100009814007_100009817591 [0,0,0,0,0,2|2,0,0]=4 2743 B14R1.159 CC(=O)OCCSc1ccncc1O 62a_100009817591_100009814007 [0,0,0,0,0,2|2,0,0]=4 2744 B14R1.159 CC(=O)OCCSc1cnccc1C 62a_100000761580_100009814007 [0,0,0,0,0,2|2,0,0]=4 2745 B14R1.159 CC(=O)OCCSc1cnccc1C 62a_100009814007_100000761580 [0,0,0,0,0,2|2,0,0]=4 2746 B14R1.159 CC(=O)OCCSc1cncnc1Br 62a_100009814007_200012461658 [0,0,0,0,0,2|2,0,0]=4 2747 B14R1.159 CC(=O)OCCSc1cncnc1Br 62a_200012461658_100009814007 [0,0,0,0,0,2|2,0,0]=4 2748 B14R1.159 CC(=O)OCCSc1cncnc1C 62a_100009814007_100009819671 [0,0,0,0,0,2|1,0,0]=3 2749 B14R1.159 CC(=O)OCCSc1cncnc1C 62a_100009819671_100009814007 [0,0,0,0,0,2|1,0,0]=3 2750 B14R1.159 CC(=O)OCCSc1cncnc1Cl 62a_100000758962_100009814007 [0,0,0,0,0,2|2,0,0]=4 2751 B14R1.159 CC(=O)OCCSc1cncnc1Cl 62a_100009814007_100000758962 [0,0,0,0,0,2|2,0,0]=4 2752 B14R1.159 CC(=O)OCCSc1cncnc1N 62a_100009814007_100011996079 [0,0,0,0,0,2|2,0,0]=4 2753 B14R1.159 CC(=O)OCCSc1cncnc1N 62a_100011996079_100009814007 [0,0,0,0,0,2|2,0,0]=4 2754 B14R1.159 CC(=O)OCCSc1cncnc1O 62a_100000751107_100009814007 [0,0,0,0,0,2|2,0,0]=4 2755 B14R1.159 CC(=O)OCCSc1cncnc1O 62a_100009814007_100000751107 [0,0,0,0,0,2|2,0,0]=4 2756 B14R1.159 CC(=O)OCCSc1ncccc1C 62a_100000751373_100009814007 [0,0,0,0,0,2|2,0,0]=4 2757 B14R1.159 CC(=O)OCCSc1ncccc1C 62a_100009814007_100000751373 [0,0,0,0,0,2|2,0,0]=4 2758 B14R1.159 CC(=O)OCCSc1nccnc1C 62a_100009814007_100011999405 [0,0,0,0,0,2|1,0,0]=3 2759 B14R1.159 CC(=O)OCCSc1nccnc1C 62a_100011999405_100009814007 [0,0,0,0,0,2|1,0,0]=3 2760 B14R1.159 CC(=O)OCCSc1nccnc1Cl 62a_100009814007_100010886584 [0,0,0,0,0,2|2,0,0]=4 2761 B14R1.159 CC(=O)OCCSc1nccnc1Cl 62a_100010886584_100009814007 [0,0,0,0,0,2|2,0,0]=4 2762 B14R1.159 CC(=O)OCCSc1nccnc1F 62a_100009814007_200010125657 [0,0,0,0,0,2|2,0,0]=4 2763 B14R1.159 CC(=O)OCCSc1nccnc1F 62a_200010125657_100009814007 [0,0,0,0,0,2|2,0,0]=4 2764 B14R1.159 CC(=O)OCCSc1nccnc1N 62a_100000747729_100009814007 [0,0,0,0,0,2|2,0,0]=4 2765 B14R1.159 CC(=O)OCCSc1nccnc1N 62a_100009814007_100000747729 [0,0,0,0,0,2|2,0,0]=4 2766 B14R1.159 CC(=O)OCCSc1ncncc1C 62a_100009814007_100011998708 [0,0,0,0,0,2|1,0,0]=3 2767 B14R1.159 CC(=O)OCCSc1ncncc1C 62a_100011998708_100009814007 [0,0,0,0,0,2|1,0,0]=3 2768 B14R1.159 CC(=O)OCCSc1ncncc1F 62a_100000069762_100009814007 [0,0,0,0,0,2|2,0,0]=4 2769 B14R1.159 CC(=O)OCCSc1ncncc1F 62a_100009814007_100000069762 [0,0,0,0,0,2|2,0,0]=4 2770 B14R1.159 CC(=O)OCCSc1ncncc1N 62a_100000709731_100009814007 [0,0,0,0,0,2|2,0,0]=4 2771 B14R1.159 CC(=O)OCCSc1ncncc1N 62a_100009814007_100000709731 [0,0,0,0,0,2|2,0,0]=4 2772 B14R1.159 CC(=O)OCCSc1nnccc1C 62a_100009814007_100000089043 [0,0,0,0,0,2|2,0,0]=4 2773 B14R1.159 CC(=O)OCNCc1ccccc1C 34a_100000174972_100009813279 [0,0,0,0,0,2|2,0,0]=4 2774 B14R1.159 CC(=O)OCNCc1cccnc1Br 34a_100009818023_100009813279 [0,0,0,0,0,2|2,0,0]=4 2775 B14R1.159 CC(=O)OCNCc1cccnc1Cl 34a_100015189234_100009813279 [0,0,0,0,0,2|2,0,0]=4 2776 B14R1.159 CC(=O)OCNCc1cccnc1F 34a_100000724633_100009813279 [0,0,0,0,0,2|2,0,0]=4 2777 B14R1.159 CC(=O)OCNCc1ccncc1F 34a_100011935246_100009813279 [0,0,0,0,0,2|2,0,0]=4 2778 B14R1.159 CC(=O)OCNCc1ncccc1C 34a_100011223789_100009813279 [0,0,0,0,0,2|2,0,0]=4 2779 B14R1.159 CC(=O)OCNCc1nccnc1C 34a_100020641712_100009813279 [0,0,0,0,0,2|1,0,0]=3 2780 B14R1.159 CC(=O)OCOCc1ccccc1C 34a_100000698903_100009813279 [0,0,0,0,0,2|2,0,0]=4 2781 B14R1.159 CC(=O)OCOCc1cccnc1Br 34a_100000719692_100009813279 [0,0,0,0,0,2|2,0,0]=4 2782 B14R1.159 CC(=O)OCOCc1cccnc1C 34a_100000729262_100009813279 [0,0,0,0,0,2|1,0,0]=3 2783 B14R1.159 CC(=O)OCOCc1cccnc1Cl 34a_100000748726_100009813279 [0,0,0,0,0,2|2,0,0]=4 2784 B14R1.159 CC(=O)OCOCc1cccnc1F 34a_100000079888_100009813279 [0,0,0,0,0,2|2,0,0]=4 2785 B14R1.159 CC(=O)OCOCc1ccncc1C 34a_100011997032_100009813279 [0,0,0,0,0,2|1,0,0]=3 2786 B14R1.159 CC(=O)OCOCc1ccncc1F 34a_100012172863_100009813279 [0,0,0,0,0,2|2,0,0]=4 2787 B14R1.159 CC(=O)OCOCc1cnccc1C 34a_100011996381_100009813279 [0,0,0,0,0,2|2,0,0]=4 2788 B14R1.159 CC(=O)OCOCc1ncccc1C 34a_100000698912_100009813279 [0,0,0,0,0,2|2,0,0]=4 2789 B14R1.159 CC(=O)OCOCc1nccnc1Cl 34a_100000057004_100009813279 [0,0,0,0,0,2|2,0,0]=4 2790 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000076356_100000211839 [0,0,0,0,0,2|2,0,0]=4 2791 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000211839_100000076356 [0,0,0,0,0,2|2,0,0]=4 2792 B14R1.159 CC(=O)OCSCc1cccnc1Br 62a_100000076356_100010140945 [0,0,0,0,0,2|2,0,0]=4 2793 B14R1.159 CC(=O)OCSCc1cccnc1Br 62a_100010140945_100000076356 [0,0,0,0,0,2|2,0,0]=4 2794 B14R1.159 CC(=O)OCSCc1cccnc1C 62a_100000076356_100000732876 [0,0,0,0,0,2|1,0,0]=3 2795 B14R1.159 CC(=O)OCSCc1cccnc1C 62a_100000732876_100000076356 [0,0,0,0,0,2|1,0,0]=3 2796 B14R1.159 CC(=O)OCSCc1cccnc1Cl 62a_100000045678_100000076356 [0,0,0,0,0,2|2,0,0]=4 2797 B14R1.159 CC(=O)OCSCc1cccnc1Cl 62a_100000076356_100000045678 [0,0,0,0,0,2|2,0,0]=4 2798 B14R1.159 CC(=O)OCSCc1cccnc1F 62a_100000076356_100000099810 [0,0,0,0,0,2|2,0,0]=4 2799 B14R1.159 CC(=O)OCSCc1cccnc1F 62a_100000099810_100000076356 [0,0,0,0,0,2|2,0,0]=4 2800 B14R1.159 CC(=O)OCSCc1ccncc1C 62a_100000076356_100020672808 [0,0,0,0,0,2|1,0,0]=3 2801 B14R1.159 CC(=O)OCSCc1ccncc1C 62a_100020672808_100000076356 [0,0,0,0,0,2|1,0,0]=3 2802 B14R1.159 CC(=O)OCSCc1ccncc1Cl 62a_100000076356_100000763264 [0,0,0,0,0,2|2,0,0]=4 2803 B14R1.159 CC(=O)OCSCc1ccncc1Cl 62a_100000763264_100000076356 [0,0,0,0,0,2|2,0,0]=4 2804 B14R1.159 CC(=O)OCSCc1cnccc1C 62a_100000076356_100000690890 [0,0,0,0,0,2|2,0,0]=4 2805 B14R1.159 CC(=O)OCSCc1cnccc1C 62a_100000690890_100000076356 [0,0,0,0,0,2|2,0,0]=4 2806 B14R1.159 CC(=O)OCSCc1ncccc1C 62a_100000076356_100000696600 [0,0,0,0,0,2|2,0,0]=4 2807 B14R1.159 CC(=O)OCSCc1ncccc1C 62a_100000696600_100000076356 [0,0,0,0,0,2|2,0,0]=4 2808 B14R1.159 Cc1cnccc1OCCOC(=O)N 34a_100000694293_200011214921 [0,0,0,0,0,2|2,0,0]=4 2809 B14R1.159 Cc1cnccc1SCCOC(=O)N 62a_100000765111_200011214921 [0,0,0,0,0,2|2,0,0]=4 2810 B14R1.159 Cc1cnccc1SCCOC(=O)N 62a_200011214921_100000765111 [0,0,0,0,0,2|2,0,0]=4 2811 B14R1.159 Cc1cncnc1SCCOC(=O)N 62a_100011998708_200011214921 [0,0,0,0,0,2|2,0,0]=4 2812 B14R1.159 Cc1cncnc1SCCOC(=O)N 62a_200011214921_100011998708 [0,0,0,0,0,2|2,0,0]=4 2813 B14R1.159 Cc1ncccc1OCCOC(=O)N 34a_100000745507_200011214921 [0,0,0,0,0,2|2,0,0]=4 2814 B14R1.159 Cc1ncccc1OCCOC(=O)N 7a_100000745507_200011214921 [0,0,0,0,0,2|2,0,0]=4 2815 B14R1.159 Cc1ncccc1SCCOC(=O)N 62a_100000751574_200011214921 [0,0,0,0,0,2|2,0,0]=4 2816 B14R1.159 Cc1ncccc1SCCOC(=O)N 62a_200011214921_100000751574 [0,0,0,0,0,2|2,0,0]=4 2817 B14R1.159 Cc1nccnc1OCCOC(=O)N 34a_100000766352_200011214921 [0,0,0,0,0,2|2,0,0]=4 2818 B14R1.159 Cc1nccnc1SCCOC(=O)N 62a_100011999405_200011214921 [0,0,0,0,0,2|2,0,0]=4 2819 B14R1.159 Cc1nccnc1SCCOC(=O)N 62a_200011214921_100011999405 [0,0,0,0,0,2|2,0,0]=4 2820 B14R1.159 Cc1ncncc1SCCOC(=O)N 62a_100009819671_200011214921 [0,0,0,0,0,2|2,0,0]=4 2821 B14R1.159 Cc1ncncc1SCCOC(=O)N 62a_200011214921_100009819671 [0,0,0,0,0,2|2,0,0]=4 2822 B14R1.168 C=C(Br)CCOCCc1scnc1C 34a_100009813270_100000057103 [0,0,0,0,0,2|1,0,1]=4 2823 B14R1.168 C=C(C)CCNCCc1scnc1C 2230a_100000238517_100000730704 [0,0,0,0,0,2|2,0,0]=4 2824 B14R1.168 C=C(C)CCNCCc1scnc1C 34a_100000238517_100000730704 [0,0,0,0,0,2|2,0,0]=4 2825 B14R1.168 C=C(C)CCOCCc1scnc1C 34a_100000211055_100000730704 [0,0,0,0,0,2|1,0,0]=3 2826 B14R1.168 C=C(C)CCOCCc1scnc1C 34a_100000764851_100000057103 [0,0,0,0,0,2|1,0,0]=3 2827 B14R1.168 C=C(C)CCOCCc1scnc1C 7a_100000211055_100000730704 [0,0,0,0,0,2|1,0,0]=3 2828 B14R1.168 C=C(C)CCSCCc1scnc1C 62a_100000057103_100000730704 [0,0,0,0,0,2|1,1,0]=4 2829 B14R1.168 C=C(C)CCSCCc1scnc1C 62a_100000730704_100000057103 [0,0,0,0,0,2|1,1,0]=4 2830 B14R1.168 CC(=CCCNCc1scnc1C)C 2230a_100000752186_100011217483 [0,0,0,0,0,2|2,0,0]=4 2831 B14R1.168 CC(=CCCOCc1scnc1C)C 34a_100000750112_100011217483 [0,0,0,0,0,2|2,0,0]=4 2832 B14R1.168 CC(=CCCOCc1scnc1C)C 7a_100000750112_100011217483 [0,0,0,0,0,2|2,0,0]=4 2833 B14R1.168 CC(=CCNCCc1scnc1C)C 2230a_100000238517_100000761012 [0,0,0,0,0,2|2,0,0]=4 2834 B14R1.168 CC(=CCNCCc1scnc1C)C 34a_100000238517_100000761012 [0,0,0,0,0,2|2,0,0]=4 2835 B14R1.168 CC(=CCNCCc1scnc1C)C 34a_100000718196_100000057103 [0,0,0,0,0,2|2,0,0]=4 2836 B14R1.168 CC(=CCOCCc1scnc1C)C 34a_100000211055_100000761012 [0,0,0,0,0,2|1,0,0]=3 2837 B14R1.168 CC(=CCOCCc1scnc1C)C 34a_100000753907_100000057103 [0,0,0,0,0,2|1,0,0]=3 2838 B14R1.168 CC(=CCOCCc1scnc1C)C 7a_100000211055_100000761012 [0,0,0,0,0,2|1,0,0]=3 2839 B14R1.168 CC(=CCSCCc1scnc1C)C 62a_100000057103_100000761012 [0,0,0,0,0,2|1,1,0]=4 2840 B14R1.168 CC(=CCSCCc1scnc1C)C 62a_100000761012_100000057103 [0,0,0,0,0,2|1,1,0]=4 2841 B14R1.168 CC(=O)CCCCSc1sccc1C 62a_100000735457_100010247149 [0,0,0,0,0,2|2,0,0]=4 2842 B14R1.168 CC(=O)CCCCSc1sccc1C 62a_100010247149_100000735457 [0,0,0,0,0,2|2,0,0]=4 2843 B14R1.168 CC(=O)CCCCSc1scnc1C 62a_100000735457_100009817116 [0,0,0,0,0,2|1,0,0]=3 2844 B14R1.168 CC(=O)CCCCSc1scnc1C 62a_100009817116_100000735457 [0,0,0,0,0,2|1,0,0]=3 2845 B14R1.168 CC(=O)CCCNCc1sccc1C 34a_100000238519_100000685027 [0,0,0,0,0,2|2,0,0]=4 2846 B14R1.168 CC(=O)CCCOCc1ocnc1C 34a_100000717716_100000685027 [0,0,0,0,0,2|1,1,0]=4 2847 B14R1.168 CC(=O)CCCOCc1ocnc1C 7a_100000717716_100011215641 [0,0,0,0,0,2|1,1,0]=4 2848 B14R1.168 CC(=O)CCCOCc1sccc1C 34a_100000238368_100000685027 [0,0,0,0,0,2|2,0,0]=4 2849 B14R1.168 CC(=O)CCCOCc1sccc1C 7a_100000238368_100011215641 [0,0,0,0,0,2|2,0,0]=4 2850 B14R1.168 CC(=O)CCCOCc1scnc1Br 7a_100012000948_100011215641 [0,0,0,0,0,2|2,0,0]=4 2851 B14R1.168 CC(=O)CCCOCc1scnc1C 34a_100000750112_100000685027 [0,0,0,0,0,2|1,0,0]=3 2852 B14R1.168 CC(=O)CCCOCc1scnc1C 7a_100000750112_100011215641 [0,0,0,0,0,2|1,0,0]=3 2853 B14R1.168 CC(=O)CCCOCc1snnc1C 34a_100000759063_100000732739 [0,0,0,0,0,2|2,0,0]=4 2854 B14R1.168 CC(=O)CCCOCc1snnc1C 7a_100000759063_100000732739 [0,0,0,0,0,2|2,0,0]=4 2855 B14R1.168 CC(=O)CCCSCc1snnc1C 62a_100000732739_100011215641 [0,0,0,0,0,2|2,0,0]=4 2856 B14R1.168 CC(=O)CCCSCc1snnc1C 62a_100011215641_100000732739 [0,0,0,0,0,2|2,0,0]=4 2857 B14R1.168 CC(=O)CCOCCc1scnc1C 34a_100000759926_100000057103 [0,0,0,0,0,2|0,0,0]=2 2858 B14R1.168 CC(=O)CCOCCc1scnc1C 7a_100000211055_100000053229 [0,0,0,0,0,2|0,0,0]=2 2859 B14R1.168 CC(=O)CCOCCc1scnc1C 7a_100000759926_100000057103 [0,0,0,0,0,2|0,0,0]=2 2860 B14R1.168 CC(=O)CCOCCn1ccnc1C 7a_100000702865_100000053229 [0,0,0,0,0,2|2,0,0]=4 2861 B14R1.168 CC(=O)CCOCCn1ccnc1C 7a_100000759926_100000742477 [0,0,0,0,0,2|2,0,0]=4 2862 B14R1.168 CC(=O)CCSCCc1scnc1C 62a_100000053229_100000057103 [0,0,0,0,0,2|0,1,0]=3 2863 B14R1.168 CC(=O)CCSCCc1scnc1C 62a_100000057103_100000053229 [0,0,0,0,0,2|0,1,0]=3 2864 B14R1.168 CC(=O)COCCCn1ccnc1C 34a_100000211253_100000690325 [0,0,0,0,0,2|2,0,0]=4 2865 B14R1.168 CC(=O)NCCNCc1sccc1C 207a_100000209853_100000210881 [0,0,0,0,0,2|2,0,0]=4 2866 B14R1.168 CC(=O)NCCNCc1sccc1C 2230a_100000238519_100000189650 [0,0,0,0,0,2|2,0,0]=4 2867 B14R1.168 CC(=O)NCCNCc1scnc1C 207a_100000209853_100000764165 [0,0,0,0,0,2|1,0,0]=3 2868 B14R1.168 CC(=O)NCCNCc1scnc1C 2230a_100000752186_100000189650 [0,0,0,0,0,2|1,0,0]=3 2869 B14R1.168 CC(=O)NCCNCc1snnc1C 2230a_100000209853_100000732739 [0,0,0,0,0,2|2,0,0]=4 2870 B14R1.168 CC(=O)NCCNCc1snnc1C 2230a_100000732738_100000189650 [0,0,0,0,0,2|2,0,0]=4 2871 B14R1.168 CC(=O)NCCOCc1ocnc1C 7a_100000717716_100000189650 [0,0,0,0,0,2|1,1,0]=4 2872 B14R1.168 CC(=O)NCCOCc1sccc1C 7a_100000238368_100000189650 [0,0,0,0,0,2|2,0,0]=4 2873 B14R1.168 CC(=O)NCCOCc1scnc1Br 7a_100012000948_100000189650 [0,0,0,0,0,2|2,0,0]=4 2874 B14R1.168 CC(=O)NCCOCc1scnc1C 7a_100000750112_100000189650 [0,0,0,0,0,2|1,0,0]=3 2875 B14R1.168 CC(=O)NCCOCc1snnc1C 34a_100000158858_100000732739 [0,0,0,0,0,2|2,0,0]=4 2876 B14R1.168 CC(=O)NCCSCc1snnc1C 62a_100000189650_100000732739 [0,0,0,0,0,2|2,0,0]=4 2877 B14R1.168 CC(=O)NCCSCc1snnc1C 62a_100000732739_100000189650 [0,0,0,0,0,2|2,0,0]=4 2878 B14R1.168 CC(=O)OCCCOc1ccnn1C 34a_100020632926_100000042594 [0,0,0,0,0,2|2,0,0]=4 2879 B14R1.168 CC(=O)OCCCSc1[nH]cnc1Cl 62a_100000042594_100010200774 [0,0,0,0,0,2|2,0,0]=4 2880 B14R1.168 CC(=O)OCCCSc1[nH]cnc1Cl 62a_100010200774_100000042594 [0,0,0,0,0,2|2,0,0]=4 2881 B14R1.168 CC(=O)OCCCSc1c[nH]nc1C 62a_100000042594_100000692133 [0,0,0,0,0,2|2,0,0]=4 2882 B14R1.168 CC(=O)OCCCSc1c[nH]nc1C 62a_100000692133_100000042594 [0,0,0,0,0,2|2,0,0]=4 2883 B14R1.168 CC(=O)OCCCSc1ccnn1C 62a_100000042594_100000688441 [0,0,0,0,0,2|2,0,0]=4 2884 B14R1.168 CC(=O)OCCCSc1ccnn1C 62a_100000688441_100000042594 [0,0,0,0,0,2|2,0,0]=4 2885 B14R1.168 CC(=O)OCCCSc1ccsc1C 62a_100000042594_100000684487 [0,0,0,0,0,2|2,0,0]=4 2886 B14R1.168 CC(=O)OCCCSc1ccsc1C 62a_100000684487_100000042594 [0,0,0,0,0,2|2,0,0]=4 2887 B14R1.168 CC(=O)OCCCSc1nc[nH]c1C 62a_100000042594_100010186451 [0,0,0,0,0,2|1,0,1]=4 2888 B14R1.168 CC(=O)OCCCSc1nc[nH]c1C 62a_100010186451_100000042594 [0,0,0,0,0,2|1,0,1]=4 2889 B14R1.168 CC(=O)OCCCSc1ncnn1C 62a_100000042594_100000732653 [0,0,0,0,0,2|2,0,0]=4 2890 B14R1.168 CC(=O)OCCCSc1ncnn1C 62a_100000732653_100000042594 [0,0,0,0,0,2|2,0,0]=4 2891 B14R1.168 CC(=O)OCCCSc1ncsc1C 62a_100000042594_100000732656 [0,0,0,0,0,2|2,0,0]=4 2892 B14R1.168 CC(=O)OCCCSc1ncsc1C 62a_100000732656_100000042594 [0,0,0,0,0,2|2,0,0]=4 2893 B14R1.168 CC(=O)OCCCSc1sccc1Br 62a_100000042594_100012361411 [0,0,0,0,0,2|2,0,0]=4 2894 B14R1.168 CC(=O)OCCCSc1sccc1Br 62a_100012361411_100000042594 [0,0,0,0,0,2|2,0,0]=4 2895 B14R1.168 CC(=O)OCCCSc1sccc1C 62a_100000042594_100010247149 [0,0,0,0,0,2|1,0,0]=3 2896 B14R1.168 CC(=O)OCCCSc1sccc1C 62a_100010247149_100000042594 [0,0,0,0,0,2|1,0,0]=3 2897 B14R1.168 CC(=O)OCCCSc1scnc1C 62a_100000042594_100009817116 [0,0,0,0,0,2|0,0,0]=2 2898 B14R1.168 CC(=O)OCCCSc1scnc1C 62a_100009817116_100000042594 [0,0,0,0,0,2|0,0,0]=2 2899 B14R1.168 CC(=O)OCCNCc1ccnn1C 34a_100025706696_100009814007 [0,0,0,0,0,2|2,0,0]=4 2900 B14R1.168 CC(=O)OCCNCc1sccc1C 34a_100000238519_100009814007 [0,0,0,0,0,2|1,0,0]=3 2901 B14R1.168 CC(=O)OCCNCc1sccc1Cl 34a_100011934584_100009814007 [0,0,0,0,0,2|2,0,0]=4 2902 B14R1.168 CC(=O)OCCOCc1ccnn1C 34a_100000684702_100009814007 [0,0,0,0,0,2|2,0,0]=4 2903 B14R1.168 CC(=O)OCCOCc1ccoc1C 34a_100011219433_100009814007 [0,0,0,0,0,2|2,0,0]=4 2904 B14R1.168 CC(=O)OCCOCc1ccoc1C 7a_100011219433_100009814007 [0,0,0,0,0,2|2,0,0]=4 2905 B14R1.168 CC(=O)OCCOCc1ncnn1C 7a_100000688323_100009814007 [0,0,0,0,0,2|2,0,0]=4 2906 B14R1.168 CC(=O)OCCOCc1ncoc1C 34a_100012017639_100009814007 [0,0,0,0,0,2|2,0,0]=4 2907 B14R1.168 CC(=O)OCCOCc1occc1C 34a_100011273948_100009814007 [0,0,0,0,0,2|1,1,0]=4 2908 B14R1.168 CC(=O)OCCOCc1occc1C 7a_100011273948_100009814007 [0,0,0,0,0,2|1,1,0]=4 2909 B14R1.168 CC(=O)OCCOCc1ocnc1C 34a_100000717716_100009814007 [0,0,0,0,0,2|0,1,0]=3 2910 B14R1.168 CC(=O)OCCOCc1ocnc1C 7a_100000717716_100009814007 [0,0,0,0,0,2|0,1,0]=3 2911 B14R1.168 CC(=O)OCCOCc1sccc1Br 34a_100000702026_100009814007 [0,0,0,0,0,2|2,0,0]=4 2912 B14R1.168 CC(=O)OCCOCc1sccc1C 34a_100000238368_100009814007 [0,0,0,0,0,2|1,0,0]=3 2913 B14R1.168 CC(=O)OCCOCc1sccc1C 7a_100000238368_100009814007 [0,0,0,0,0,2|1,0,0]=3 2914 B14R1.168 CC(=O)OCCOCc1sccc1Cl 34a_100000722387_100009814007 [0,0,0,0,0,2|2,0,0]=4 2915 B14R1.168 CC(=O)OCCOCc1sccc1Cl 7a_100000722387_100009814007 [0,0,0,0,0,2|2,0,0]=4 2916 B14R1.168 CC(=O)OCCOCc1scnc1Br 7a_100012000948_100009814007 [0,0,0,0,0,2|1,0,0]=3 2917 B14R1.168 CC(=O)OCCOCc1scnc1C 34a_100000750112_100009814007 [0,0,0,0,0,2|0,0,0]=2 2918 B14R1.168 CC(=O)OCCOCc1scnc1C 7a_100000750112_100009814007 [0,0,0,0,0,2|0,0,0]=2 2919 B14R1.168 CC(=O)OCCSCc1ccnn1C 62a_100000691648_100009814007 [0,0,0,0,0,2|2,0,0]=4 2920 B14R1.168 CC(=O)OCCSCc1ccnn1C 62a_100009814007_100000691648 [0,0,0,0,0,2|2,0,0]=4 2921 B14R1.168 CC(=O)OCCSCc1nc[nH]c1C 62a_100000751220_100009814007 [0,0,0,0,0,2|1,0,1]=4 2922 B14R1.168 CC(=O)OCCSCc1nc[nH]c1C 62a_100009814007_100000751220 [0,0,0,0,0,2|1,0,1]=4 2923 B14R1.168 CC(=O)OCCSCc1ncoc1C 62a_100009814007_200000693990 [0,0,0,0,0,2|2,0,0]=4 2924 B14R1.168 CC(=O)OCCSCc1ncoc1C 62a_200000693990_100009814007 [0,0,0,0,0,2|2,0,0]=4 2925 B14R1.168 CC(=O)OCCSCc1nonc1C 62a_100009814007_200000044682 [0,0,0,0,0,2|2,0,0]=4 2926 B14R1.168 CC(=O)OCCSCc1nonc1C 62a_200000044682_100009814007 [0,0,0,0,0,2|2,0,0]=4 2927 B14R1.168 CC(=O)OCCSCc1snnc1C 62a_100000732739_100009814007 [0,0,0,0,0,2|1,0,0]=3 2928 B14R1.168 CC(=O)OCCSCc1snnc1C 62a_100009814007_100000732739 [0,0,0,0,0,2|1,0,0]=3 2929 B14R1.168 CC(=O)OCNCCc1scnc1C 34a_100000238517_100009813279 [0,0,0,0,0,2|0,0,0]=2 2930 B14R1.168 CC(=O)OCNCCn1ccnc1C 34a_100015184736_100009813279 [0,0,0,0,0,2|2,0,0]=4 2931 B14R1.168 CC(=O)OCOCCc1scnc1C 34a_100000211055_100009813279 [0,0,0,0,0,2|0,0,0]=2 2932 B14R1.168 CC(=O)OCOCCn1ccnc1C 34a_100000702865_100009813279 [0,0,0,0,0,2|2,0,0]=4 2933 B14R1.168 CC(=O)OCSCCc1scnc1C 62a_100000057103_100000076356 [0,0,0,0,0,2|0,0,0]=2 2934 B14R1.168 CC(=O)OCSCCc1scnc1C 62a_100000076356_100000057103 [0,0,0,0,0,2|0,0,0]=2 2935 B14R1.168 CC(=O)OCSCCn1ccnc1C 62a_100000076356_100000742477 [0,0,0,0,0,2|2,0,0]=4 2936 B14R1.168 CC(=O)OCSCCn1ccnc1C 62a_100000742477_100000076356 [0,0,0,0,0,2|2,0,0]=4 2937 B14R1.168 CC(=O)SCCCSc1sccc1C 62a_100000038929_100010247149 [0,0,0,0,0,2|1,1,0]=4 2938 B14R1.168 CC(=O)SCCCSc1sccc1C 62a_100010247149_100000038929 [0,0,0,0,0,2|1,1,0]=4 2939 B14R1.168 CC(=O)SCCCSc1scnc1C 62a_100000038929_100009817116 [0,0,0,0,0,2|0,1,0]=3 2940 B14R1.168 CC(=O)SCCCSc1scnc1C 62a_100009817116_100000038929 [0,0,0,0,0,2|0,1,0]=3 2941 B14R1.168 CC(=S)OCCCSc1sccc1C 62a_100010247149_200135323944 [0,0,0,0,0,2|1,1,0]=4 2942 B14R1.168 CC(=S)OCCCSc1sccc1C 62a_200135323944_100010247149 [0,0,0,0,0,2|1,1,0]=4 2943 B14R1.168 CC(=S)OCCCSc1scnc1C 62a_100009817116_200135323944 [0,0,0,0,0,2|0,1,0]=3 2944 B14R1.168 CC(=S)OCCCSc1scnc1C 62a_200135323944_100009817116 [0,0,0,0,0,2|0,1,0]=3 2945 B14R1.168 Cc1ccsc1CNCCOC(=O)N 34a_100000238519_200011214921 [0,0,0,0,0,2|2,0,0]=4 2946 B14R1.168 Cc1ccsc1COCCOC(=O)N 34a_100000238368_200011214921 [0,0,0,0,0,2|2,0,0]=4 2947 B14R1.168 Cc1ccsc1COCCOC(=O)N 7a_100000238368_200011214921 [0,0,0,0,0,2|2,0,0]=4 2948 B14R1.168 Cc1ccsc1SCCOCC(=O)N 62a_100000076697_100010247149 [0,0,0,0,0,2|2,0,0]=4 2949 B14R1.168 Cc1ccsc1SCCOCC(=O)N 62a_100010247149_100000076697 [0,0,0,0,0,2|2,0,0]=4 2950 B14R1.168 Cc1ncoc1COCCOC(=O)N 34a_100000717716_200011214921 [0,0,0,0,0,2|1,1,0]=4 2951 B14R1.168 Cc1ncoc1COCCOC(=O)N 7a_100000717716_200011214921 [0,0,0,0,0,2|1,1,0]=4 2952 B14R1.168 Cc1ncsc1CCNCCC(=O)N 2230a_100000238517_100000744528 [0,0,0,0,0,2|2,0,0]=4 2953 B14R1.168 Cc1ncsc1CCNCCC(=O)N 34a_100000238517_100000731001 [0,0,0,0,0,2|2,0,0]=4 2954 B14R1.168 Cc1ncsc1CCNCOC(C)C 2230a_100000238517_100000709892 [0,0,0,0,0,2|1,0,1]=4 2955 B14R1.168 Cc1ncsc1CCNCOC(C)C 34a_100000238517_100000709892 [0,0,0,0,0,2|1,0,1]=4 2956 B14R1.168 Cc1ncsc1CCNOCC(=O)O 269956a_100000106656_100000057103 [0,0,0,0,0,2|1,0,0]=3 2957 B14R1.168 Cc1ncsc1CCOCCC(=O)N 34a_100000211055_100000731001 [0,0,0,0,0,2|1,0,0]=3 2958 B14R1.168 Cc1ncsc1CCOCCC(=O)N 34a_100000757172_100000057103 [0,0,0,0,0,2|1,0,0]=3 2959 B14R1.168 Cc1ncsc1CCOCCC(=O)N 7a_100000211055_100000744528 [0,0,0,0,0,2|1,0,0]=3 2960 B14R1.168 Cc1ncsc1CCOCCC(=O)N 7a_100000757172_100000057103 [0,0,0,0,0,2|1,0,0]=3 2961 B14R1.168 Cc1ncsc1CCOCCC(C)Br 34a_100009893172_100000057103 [0,0,0,0,0,2|1,0,1]=4 2962 B14R1.168 Cc1ncsc1CCOCCC(C)C 34a_100000210254_100000057103 [0,0,0,0,0,2|1,0,1]=4 2963 B14R1.168 Cc1ncsc1CCOCCC(C)C 34a_100000211055_100000210312 [0,0,0,0,0,2|1,0,1]=4 2964 B14R1.168 Cc1ncsc1CCOCCC(C)C 7a_100000210254_100000057103 [0,0,0,0,0,2|1,0,1]=4 2965 B14R1.168 Cc1ncsc1CCOCCC(C)C 7a_100000211055_100000210626 [0,0,0,0,0,2|1,0,1]=4 2966 B14R1.168 Cc1ncsc1CCOCCC(C)O 34a_100000211055_100012276601 [0,0,0,0,0,2|0,0,2]=4 2967 B14R1.168 Cc1ncsc1CCOCCC(C)O 7a_100000211055_100012276601 [0,0,0,0,0,2|0,0,2]=4 2968 B14R1.168 Cc1ncsc1CCOCCN(C)C 7a_100000211055_100000755713 [0,0,0,0,0,2|2,0,0]=4 2969 B14R1.168 Cc1ncsc1CCOCC[C@@H](C)N 34a_100000706166_100000057103 [0,0,0,0,0,2|1,0,1]=4 2970 B14R1.168 Cc1ncsc1CCOCOC(C)C 34a_100000211055_100000709892 [0,0,0,0,0,2|1,0,1]=4 2971 B14R1.168 Cc1ncsc1CCSCCC(=O)N 62a_100000057103_100000744528 [0,0,0,0,0,2|1,1,0]=4 2972 B14R1.168 Cc1ncsc1CCSCCC(=O)N 62a_100000744528_100000057103 [0,0,0,0,0,2|1,1,0]=4 2973 B14R1.168 Cc1ncsc1CCSCOC(C)C 62a_100000057103_100000709892 [0,0,0,0,0,2|1,0,1]=4 2974 B14R1.168 Cc1ncsc1CCSCOC(C)C 62a_100000709892_100000057103 [0,0,0,0,0,2|1,0,1]=4 2975 B14R1.168 Cc1ncsc1CNCCCS(=O)C 207a_200000753449_100000764165 [0,0,0,0,0,2|2,0,0]=4 2976 B14R1.168 Cc1ncsc1CNCCNC(=O)N 207a_100020590234_100000764165 [0,0,0,0,0,2|2,0,0]=4 2977 B14R1.168 Cc1ncsc1CNCCNC(=O)N 2230a_100000752186_200000034859 [0,0,0,0,0,2|2,0,0]=4 2978 B14R1.168 Cc1ncsc1CNCCOC(C)C 207a_100000701111_100000764165 [0,0,0,0,0,2|1,0,1]=4 2979 B14R1.168 Cc1ncsc1CNCCOC(C)C 2230a_100000752186_100000211751 [0,0,0,0,0,2|1,0,1]=4 2980 B14R1.168 Cc1ncsc1COCCCC(=O)N 34a_100000750112_100102525003 [0,0,0,0,0,2|2,0,0]=4 2981 B14R1.168 Cc1ncsc1COCCCC(=O)N 7a_100000750112_100102525003 [0,0,0,0,0,2|2,0,0]=4 2982 B14R1.168 Cc1ncsc1COCCNC(=O)N 7a_100000750112_200000034859 [0,0,0,0,0,2|2,0,0]=4 2983 B14R1.168 Cc1ncsc1COCCOC(=O)N 34a_100000750112_200011214921 [0,0,0,0,0,2|1,0,0]=3 2984 B14R1.168 Cc1ncsc1COCCOC(=O)N 7a_100000750112_200011214921 [0,0,0,0,0,2|1,0,0]=3 2985 B14R1.168 Cc1ncsc1COCCOC(C)C 34a_100000750112_100000211751 [0,0,0,0,0,2|1,0,1]=4 2986 B14R1.168 Cc1ncsc1COCCOC(C)C 7a_100000750112_100000211751 [0,0,0,0,0,2|1,0,1]=4 2987 B14R1.168 Cc1ncsc1SCCOCC(=O)N 62a_100000076697_100009817116 [0,0,0,0,0,2|1,0,0]=3 2988 B14R1.168 Cc1ncsc1SCCOCC(=O)N 62a_100009817116_100000076697 [0,0,0,0,0,2|1,0,0]=3 2989 B14R1.168 Cc1nnsc1COCCOC(=O)N 7a_100000766696_100000732739 [0,0,0,0,0,2|2,0,0]=4 2990 B14R1.168 Cc1nnsc1CSCCOC(=O)N 62a_100000732739_200011214921 [0,0,0,0,0,2|2,0,0]=4 2991 B14R1.168 Cc1nnsc1CSCCOC(=O)N 62a_200011214921_100000732739 [0,0,0,0,0,2|2,0,0]=4 2992 B14R1.168 NC(=O)OCCOCc1scnc1Br 7a_100012000948_200011214921 [0,0,0,0,0,2|2,0,0]=4