0 B13R1.599 C#CC(C)OCCc1scnc1C 34a_100000211055_200000035995 [0,0,0,0,0,0|1,0,3]=4 1 B13R1.599 C#C[C@@H](C)OCCc1scnc1C 34a_100009815206_100000057103 [0,0,0,0,0,0|1,0,3]=4 2 B13R1.599 C#C[C@@H](C)OCCc1scnc1C 7a_100009815206_100000057103 [0,0,0,0,0,0|1,0,3]=4 3 B13R1.599 C=CC(=O)NCCc1scnc1C 1626a_100000238517_100000185746 [0,0,0,0,0,0|1,0,2]=3 4 B13R1.599 C=CC(=O)NCCc1scnc1C 240690a_100000238517_200121576911 [0,0,0,0,0,0|1,0,2]=3 5 B13R1.599 C=CC(C)OCCc1scnc1C 34a_100000695699_100000057103 [0,0,0,0,0,0|1,0,3]=4 6 B13R1.599 CCC(=O)CCCn1ccnc1C 1458a_100000210414_100000690325 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.599 CCC(=O)CCCn1ccnc1C 1458a_100000748694_100000210202 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.599 CCC(=O)CCCn1nnnc1C 1458a_100000210414_100000118028 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.599 CCC(=O)COCc1ccnn1C 34a_100000725409_100000691648 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.599 CCC(=O)COCc1ccoc1C 7a_100011219433_100000747405 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.599 CCC(=O)COCc1ncnn1C 7a_100000688323_100000747405 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.599 CCC(=O)COCc1ncoc1C 34a_100000725409_200000693990 [0,0,0,0,0,0|4,0,0]=4 13 B13R1.599 CCC(=O)COCc1nonc1C 34a_100000725409_200000044682 [0,0,0,0,0,0|4,0,0]=4 14 B13R1.599 CCC(=O)COCc1occc1C 7a_100011273948_100000747405 [0,0,0,0,0,0|3,1,0]=4 15 B13R1.599 CCC(=O)COCc1ocnc1C 7a_100000717716_100000747405 [0,0,0,0,0,0|2,1,0]=3 16 B13R1.599 CCC(=O)COCc1sccc1C 7a_100000238368_100000747405 [0,0,0,0,0,0|3,0,0]=3 17 B13R1.599 CCC(=O)COCc1sccc1Cl 7a_100000722387_100000747405 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.599 CCC(=O)COCc1scnc1Br 7a_100012000948_100000747405 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.599 CCC(=O)COCc1scnc1C 7a_100000750112_100000747405 [0,0,0,0,0,0|2,0,0]=2 20 B13R1.599 CCC(=O)COCc1snnc1C 34a_100000725409_100000732739 [0,0,0,0,0,0|3,0,0]=3 21 B13R1.599 CCC(=O)CSCc1ccnn1C 62a_100000691648_100000747405 [0,0,0,0,0,0|4,0,0]=4 22 B13R1.599 CCC(=O)CSCc1ccnn1C 62a_100000747405_100000691648 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.599 CCC(=O)CSCc1nc[nH]c1C 62a_100000747405_100000751220 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.599 CCC(=O)CSCc1nc[nH]c1C 62a_100000751220_100000747405 [0,0,0,0,0,0|3,0,1]=4 25 B13R1.599 CCC(=O)CSCc1ncoc1C 62a_100000747405_200000693990 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.599 CCC(=O)CSCc1ncoc1C 62a_200000693990_100000747405 [0,0,0,0,0,0|4,0,0]=4 27 B13R1.599 CCC(=O)CSCc1nonc1C 62a_100000747405_200000044682 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.599 CCC(=O)CSCc1nonc1C 62a_200000044682_100000747405 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.599 CCC(=O)CSCc1snnc1C 62a_100000732739_100000747405 [0,0,0,0,0,0|3,0,0]=3 30 B13R1.599 CCC(=O)CSCc1snnc1C 62a_100000747405_100000732739 [0,0,0,0,0,0|3,0,0]=3 31 B13R1.599 CCC(=O)NCCc1cccn1C 11a_100011251756_100000210414 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.599 CCC(=O)NCCc1cccn1C 1626a_100011251756_100000210414 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.599 CCC(=O)NCCc1cccn1C 240690a_100011251756_100000210414 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.599 CCC(=O)NCCc1cccn1C 527a_100011251756_100000210414 [0,0,0,0,0,0|4,0,0]=4 35 B13R1.599 CCC(=O)NCCc1nccn1C 11a_100015187083_100000210414 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.599 CCC(=O)NCCc1nccn1C 240690a_100015187083_100000210414 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.599 CCC(=O)NCCc1nccn1C 527a_100015187083_100000210414 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.599 CCC(=O)NCCc1ncnn1C 11a_100000686402_100000210414 [0,0,0,0,0,0|3,0,0]=3 39 B13R1.599 CCC(=O)NCCc1ncnn1C 240690a_100000686402_100000210414 [0,0,0,0,0,0|3,0,0]=3 40 B13R1.599 CCC(=O)NCCc1ncnn1C 527a_100000686402_100000210414 [0,0,0,0,0,0|3,0,0]=3 41 B13R1.599 CCC(=O)NCCc1scnc1C 11a_100000238517_100000210414 [0,0,0,0,0,0|1,0,0]=1 42 B13R1.599 CCC(=O)NCCc1scnc1C 1626a_100000238517_100000210414 [0,0,0,0,0,0|1,0,0]=1 43 B13R1.599 CCC(=O)NCCc1scnc1C 240690a_100000238517_100000210414 [0,0,0,0,0,0|1,0,0]=1 44 B13R1.599 CCC(=O)NCCc1scnc1C 527a_100000238517_100000210414 [0,0,0,0,0,0|1,0,0]=1 45 B13R1.599 CCC(=O)NCCn1ccnc1C 11a_100015184736_100000210414 [0,0,0,0,0,0|3,0,0]=3 46 B13R1.599 CCC(=O)NCCn1ccnc1C 1626a_100015184736_100000210414 [0,0,0,0,0,0|3,0,0]=3 47 B13R1.599 CCC(=O)NCCn1ccnc1C 240690a_100015184736_100000210414 [0,0,0,0,0,0|3,0,0]=3 48 B13R1.599 CCC(=O)NCCn1ccnc1C 527a_100015184736_100000210414 [0,0,0,0,0,0|3,0,0]=3 49 B13R1.599 CCC(=O)NN=Cc1sccc1C 4a_100000183195_100000210881 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.599 CCC(=O)NN=Cc1scnc1C 4a_100000183195_100000764165 [0,0,0,0,0,0|2,0,1]=3 51 B13R1.599 CCC(=O)NN=Cc1scnc1Cl 4a_100000183195_100000094495 [0,0,0,0,0,0|3,0,1]=4 52 B13R1.599 CCC(=O)NN=Cc1snnc1C 4a_100000183195_100000732746 [0,0,0,0,0,0|3,0,1]=4 53 B13R1.599 CCC(C)CNCc1scnc1C 207a_100020588543_100000764165 [0,0,0,0,0,0|3,0,1]=4 54 B13R1.599 CCC(C)CNCc1scnc1C 2230a_100000752186_100000748023 [0,0,0,0,0,0|3,0,1]=4 55 B13R1.599 CCC(C)CNCc1scnc1C 270004a_100000752186_100000243153 [0,0,0,0,0,0|3,0,1]=4 56 B13R1.599 CCC(C)COCc1scnc1C 34a_100000750112_100000748023 [0,0,0,0,0,0|3,0,1]=4 57 B13R1.599 CCC(C)COCc1scnc1C 7a_100000750112_100000748023 [0,0,0,0,0,0|3,0,1]=4 58 B13R1.599 CCC(C)NCCc1scnc1C 2230a_100000209981_100000057103 [0,0,0,0,0,0|2,0,1]=3 59 B13R1.599 CCC(C)NCCc1scnc1C 2230a_100000238517_100000758301 [0,0,0,0,0,0|2,0,1]=3 60 B13R1.599 CCC(C)NCCc1scnc1C 34a_100000238517_100011215416 [0,0,0,0,0,0|2,0,1]=3 61 B13R1.599 CCC(C)OCCc1scnc1C 34a_100000211055_100011215416 [0,0,0,0,0,0|1,0,1]=2 62 B13R1.599 CCC(C)OCCc1scnc1C 7a_100000210228_100000057103 [0,0,0,0,0,0|1,0,1]=2 63 B13R1.599 CCC(C)OCCc1scnc1C 7a_100000211055_100000758301 [0,0,0,0,0,0|1,0,1]=2 64 B13R1.599 CCC(C)OCCn1ccnc1C 34a_100000702865_100011215416 [0,0,0,0,0,0|3,0,1]=4 65 B13R1.599 CCC(C)OCCn1ccnc1C 7a_100000210228_100000742477 [0,0,0,0,0,0|3,0,1]=4 66 B13R1.599 CCC(C)OCCn1ccnc1C 7a_100000702865_100000758301 [0,0,0,0,0,0|3,0,1]=4 67 B13R1.599 CCC(C)SCCc1scnc1C 62a_100000057103_100000758301 [0,0,0,0,0,0|1,1,1]=3 68 B13R1.599 CCC(C)SCCc1scnc1C 62a_100000758301_100000057103 [0,0,0,0,0,0|1,1,1]=3 69 B13R1.599 CCC(O)CNCc1scnc1C 207a_100011218483_100000764165 [0,0,0,0,0,0|2,0,2]=4 70 B13R1.599 CCC(O)CNCc1scnc1C 2230a_100000752186_100011218378 [0,0,0,0,0,0|2,0,2]=4 71 B13R1.599 CCC(O)COCc1scnc1C 34a_100000750112_100011218378 [0,0,0,0,0,0|2,0,2]=4 72 B13R1.599 CCC(O)COCc1scnc1C 7a_100000750112_100011218378 [0,0,0,0,0,0|2,0,2]=4 73 B13R1.599 CC[C@H](C)CNCc1scnc1C 2230a_100000752186_100009816398 [0,0,0,0,0,0|3,0,1]=4 74 B13R1.599 CC[C@H](C)COCc1scnc1C 34a_100000750112_100009816398 [0,0,0,0,0,0|3,0,1]=4 75 B13R1.599 CC[C@H](C)COCc1scnc1C 7a_100000750112_100009816398 [0,0,0,0,0,0|3,0,1]=4 76 B13R1.599 CNC(=O)CCCn1ccnc1C 11a_106832991635_100000748694 [0,0,0,0,0,0|4,0,0]=4 77 B13R1.599 CNC(=O)CCCn1ccnc1C 1626a_100102657272_100000748694 [0,0,0,0,0,0|4,0,0]=4 78 B13R1.599 CNC(=O)CCCn1ccnc1C 240690a_100102657272_100000748694 [0,0,0,0,0,0|4,0,0]=4 79 B13R1.599 CNC(=O)CCCn1ccnc1C 527a_100102657272_100000748694 [0,0,0,0,0,0|4,0,0]=4 80 B13R1.599 CNC(=O)CCSc1sccc1C 62a_100000737683_100010247149 [0,0,0,0,0,0|4,0,0]=4 81 B13R1.599 CNC(=O)CCSc1sccc1C 62a_100010247149_100000737683 [0,0,0,0,0,0|4,0,0]=4 82 B13R1.599 CNC(=O)CCSc1scnc1C 62a_100000737683_100009817116 [0,0,0,0,0,0|3,0,0]=3 83 B13R1.599 CNC(=O)CCSc1scnc1C 62a_100009817116_100000737683 [0,0,0,0,0,0|3,0,0]=3 84 B13R1.599 CNC(=O)CNCc1sccc1C 207a_100000693194_100000210881 [0,0,0,0,0,0|4,0,0]=4 85 B13R1.599 CNC(=O)CNCc1sccc1C 2230a_100000238519_100000183359 [0,0,0,0,0,0|4,0,0]=4 86 B13R1.599 CNC(=O)CNCc1sccc1C 270004a_100000693194_100000210881 [0,0,0,0,0,0|4,0,0]=4 87 B13R1.599 CNC(=O)CNCc1sccc1C 34a_100000238519_100000183359 [0,0,0,0,0,0|4,0,0]=4 88 B13R1.599 CNC(=O)CNCc1scnc1C 207a_100000693194_100000764165 [0,0,0,0,0,0|3,0,0]=3 89 B13R1.599 CNC(=O)CNCc1scnc1C 2230a_100000752186_100000183359 [0,0,0,0,0,0|3,0,0]=3 90 B13R1.599 CNC(=O)CNCc1snnc1C 2230a_100000693194_100000732739 [0,0,0,0,0,0|4,0,0]=4 91 B13R1.599 CNC(=O)CNCc1snnc1C 2230a_100000732738_100000183359 [0,0,0,0,0,0|4,0,0]=4 92 B13R1.599 CNC(=O)CNCc1snnc1C 270004a_100000693194_100000732746 [0,0,0,0,0,0|4,0,0]=4 93 B13R1.599 CNC(=O)COCc1ocnc1C 34a_100000717716_100000183359 [0,0,0,0,0,0|3,1,0]=4 94 B13R1.599 CNC(=O)COCc1ocnc1C 7a_100000717716_100000183359 [0,0,0,0,0,0|3,1,0]=4 95 B13R1.599 CNC(=O)COCc1sccc1C 34a_100000238368_100000183359 [0,0,0,0,0,0|4,0,0]=4 96 B13R1.599 CNC(=O)COCc1sccc1C 7a_100000238368_100000183359 [0,0,0,0,0,0|4,0,0]=4 97 B13R1.599 CNC(=O)COCc1scnc1Br 7a_100012000948_100000183359 [0,0,0,0,0,0|4,0,0]=4 98 B13R1.599 CNC(=O)COCc1scnc1C 34a_100000750112_100000183359 [0,0,0,0,0,0|3,0,0]=3 99 B13R1.599 CNC(=O)COCc1scnc1C 7a_100000750112_100000183359 [0,0,0,0,0,0|3,0,0]=3 100 B13R1.599 CNC(=O)COCc1snnc1C 34a_100000750040_100000732739 [0,0,0,0,0,0|4,0,0]=4 101 B13R1.599 CNC(=O)CSCc1snnc1C 62a_100000183359_100000732739 [0,0,0,0,0,0|4,0,0]=4 102 B13R1.599 CNC(=O)CSCc1snnc1C 62a_100000732739_100000183359 [0,0,0,0,0,0|4,0,0]=4 103 B13R1.599 CNC(=O)NCCc1ncnn1C 2708a_100000686402_106832991635 [0,0,0,0,0,0|4,0,0]=4 104 B13R1.599 CNC(=O)NCCc1ncnn1C 2708a_100102657272_100000686402 [0,0,0,0,0,0|4,0,0]=4 105 B13R1.599 CNC(=O)NCCc1ncnn1C 273464a_100000686402_100102657272 [0,0,0,0,0,0|4,0,0]=4 106 B13R1.599 CNC(=O)NCCc1ncnn1C 273464a_100102657272_100000686402 [0,0,0,0,0,0|4,0,0]=4 107 B13R1.599 CNC(=O)NCCc1ncnn1C 512a_100000686402_100102657272 [0,0,0,0,0,0|4,0,0]=4 108 B13R1.599 CNC(=O)NCCc1ncnn1C 512a_106832991638_100000686402 [0,0,0,0,0,0|4,0,0]=4 109 B13R1.599 CNC(=O)NCCc1scnc1C 2708a_100000238517_106832991635 [0,0,0,0,0,0|2,0,0]=2 110 B13R1.599 CNC(=O)NCCc1scnc1C 2708a_100102657272_100000238517 [0,0,0,0,0,0|2,0,0]=2 111 B13R1.599 CNC(=O)NCCc1scnc1C 273464a_100000238517_100102657272 [0,0,0,0,0,0|2,0,0]=2 112 B13R1.599 CNC(=O)NCCc1scnc1C 273464a_100102657272_100000238517 [0,0,0,0,0,0|2,0,0]=2 113 B13R1.599 CNC(=O)NCCc1scnc1C 512a_100000238517_100102657272 [0,0,0,0,0,0|2,0,0]=2 114 B13R1.599 CNC(=O)NCCc1scnc1C 512a_106832991638_100000238517 [0,0,0,0,0,0|2,0,0]=2 115 B13R1.599 CNC(=O)NCCn1ccnc1C 2708a_100015184736_106832991635 [0,0,0,0,0,0|4,0,0]=4 116 B13R1.599 CNC(=O)NCCn1ccnc1C 2708a_100102657272_100015184736 [0,0,0,0,0,0|4,0,0]=4 117 B13R1.599 CNC(=O)NCCn1ccnc1C 273464a_100015184736_100102657272 [0,0,0,0,0,0|4,0,0]=4 118 B13R1.599 CNC(=O)NCCn1ccnc1C 273464a_100102657272_100015184736 [0,0,0,0,0,0|4,0,0]=4 119 B13R1.599 CNC(=O)NCCn1ccnc1C 512a_100015184736_100102657272 [0,0,0,0,0,0|4,0,0]=4 120 B13R1.599 CNC(=O)NCCn1ccnc1C 512a_106832991638_100015184736 [0,0,0,0,0,0|4,0,0]=4 121 B13R1.599 COC(=O)CCSc1sccc1C 62a_100000204255_100010247149 [0,0,0,0,0,0|4,0,0]=4 122 B13R1.599 COC(=O)CCSc1sccc1C 62a_100010247149_100000204255 [0,0,0,0,0,0|4,0,0]=4 123 B13R1.599 COC(=O)CCSc1scnc1C 62a_100000204255_100009817116 [0,0,0,0,0,0|3,0,0]=3 124 B13R1.599 COC(=O)CCSc1scnc1C 62a_100009817116_100000204255 [0,0,0,0,0,0|3,0,0]=3 125 B13R1.599 COC(=O)CNCc1sccc1C 2230a_100000238519_100000747449 [0,0,0,0,0,0|4,0,0]=4 126 B13R1.599 COC(=O)CNCc1sccc1C 34a_100000238519_100000747449 [0,0,0,0,0,0|4,0,0]=4 127 B13R1.599 COC(=O)CNCc1scnc1C 2230a_100000752186_100000747449 [0,0,0,0,0,0|3,0,0]=3 128 B13R1.599 COC(=O)CNCc1snnc1C 2230a_100000732738_100000747449 [0,0,0,0,0,0|4,0,0]=4 129 B13R1.599 COC(=O)COCc1ocnc1C 34a_100000717716_100000747449 [0,0,0,0,0,0|3,1,0]=4 130 B13R1.599 COC(=O)COCc1ocnc1C 7a_100000717716_100000747449 [0,0,0,0,0,0|3,1,0]=4 131 B13R1.599 COC(=O)COCc1sccc1C 34a_100000238368_100000747449 [0,0,0,0,0,0|4,0,0]=4 132 B13R1.599 COC(=O)COCc1sccc1C 7a_100000238368_100000747449 [0,0,0,0,0,0|4,0,0]=4 133 B13R1.599 COC(=O)COCc1scnc1Br 7a_100012000948_100000747449 [0,0,0,0,0,0|4,0,0]=4 134 B13R1.599 COC(=O)COCc1scnc1C 34a_100000750112_100000747449 [0,0,0,0,0,0|3,0,0]=3 135 B13R1.599 COC(=O)COCc1scnc1C 7a_100000750112_100000747449 [0,0,0,0,0,0|3,0,0]=3 136 B13R1.599 COC(=O)CSCc1snnc1C 62a_100000732739_100000747449 [0,0,0,0,0,0|4,0,0]=4 137 B13R1.599 COC(=O)CSCc1snnc1C 62a_100000747449_100000732739 [0,0,0,0,0,0|4,0,0]=4 138 B13R1.599 COC(=O)OCSc1[nH]cnc1Cl 62a_100010200774_100000139417 [0,0,0,0,0,0|4,0,0]=4 139 B13R1.599 COC(=O)OCSc1c[nH]nc1C 62a_100000692133_100000139417 [0,0,0,0,0,0|4,0,0]=4 140 B13R1.599 COC(=O)OCSc1ccnn1C 62a_100000688441_100000139417 [0,0,0,0,0,0|4,0,0]=4 141 B13R1.599 COC(=O)OCSc1ccsc1C 62a_100000684487_100000139417 [0,0,0,0,0,0|4,0,0]=4 142 B13R1.599 COC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000139417 [0,0,0,0,0,0|3,0,1]=4 143 B13R1.599 COC(=O)OCSc1ncnn1C 62a_100000732653_100000139417 [0,0,0,0,0,0|4,0,0]=4 144 B13R1.599 COC(=O)OCSc1ncsc1C 62a_100000732656_100000139417 [0,0,0,0,0,0|4,0,0]=4 145 B13R1.599 COC(=O)OCSc1sccc1Br 62a_100012361411_100000139417 [0,0,0,0,0,0|4,0,0]=4 146 B13R1.599 COC(=O)OCSc1sccc1C 62a_100010247149_100000139417 [0,0,0,0,0,0|3,0,0]=3 147 B13R1.599 COC(=O)OCSc1scnc1C 62a_100009817116_100000139417 [0,0,0,0,0,0|2,0,0]=2 148 B13R1.599 COC(C)SCCc1scnc1C 62a_100000057103_100009879195 [0,0,0,0,0,0|2,1,1]=4 149 B13R1.599 COC(C)SCCc1scnc1C 62a_100009879195_100000057103 [0,0,0,0,0,0|2,1,1]=4 150 B13R1.599 Cc1nccn1CCCC(=O)CF 1458a_100000748694_100015361967 [0,0,0,0,0,0|4,0,0]=4 151 B13R1.599 Cc1nccn1CCCC(=O)CO 1458a_100000210174_100000690325 [0,0,0,0,0,0|4,0,0]=4 152 B13R1.599 Cc1nccn1CCNC(=O)CO 240690a_100015184736_100000210174 [0,0,0,0,0,0|4,0,0]=4 153 B13R1.599 Cc1nccn1CCNC(=O)CO 527a_100015184736_100000210174 [0,0,0,0,0,0|4,0,0]=4 154 B13R1.599 Cc1ncsc1CCNC(=O)CO 240690a_100000238517_100000210174 [0,0,0,0,0,0|2,0,0]=2 155 B13R1.599 Cc1ncsc1CCNC(=O)CO 527a_100000238517_100000210174 [0,0,0,0,0,0|2,0,0]=2 156 B13R1.599 Cc1ncsc1CCNC(C)CO 2230a_100000238517_100012180447 [0,0,0,0,0,0|3,0,1]=4 157 B13R1.599 Cc1ncsc1CCNC(C)CO 34a_100000238517_100012180447 [0,0,0,0,0,0|3,0,1]=4 158 B13R1.599 Cc1ncsc1CCN[C@H](C)CO 2230a_100000737577_100000057103 [0,0,0,0,0,0|3,0,1]=4 159 B13R1.599 Cc1ncsc1CCOC(C)C#N 34a_100011218135_100000057103 [0,0,0,0,0,0|2,0,2]=4 160 B13R1.599 Cc1ncsc1CCOC(C)C#N 7a_100000211055_100000703298 [0,0,0,0,0,0|2,0,2]=4 161 B13R1.599 Cc1ncsc1CCOC(C)CF 34a_100016041109_100000057103 [0,0,0,0,0,0|2,0,1]=3 162 B13R1.599 Cc1ncsc1CCOC(C)CF 7a_100016041109_100000057103 [0,0,0,0,0,0|2,0,1]=3 163 B13R1.599 Cc1ncsc1CCOC(C)CN 34a_100000210904_100000057103 [0,0,0,0,0,0|2,0,1]=3 164 B13R1.599 Cc1ncsc1CCOC(C)CO 34a_100000211055_100012180447 [0,0,0,0,0,0|2,0,1]=3 165 B13R1.599 Cc1ncsc1CCOC(C)CO 7a_100000211055_100012180447 [0,0,0,0,0,0|2,0,1]=3 166 B13R1.599 Cc1ncsc1CCSC(C)CO 62a_100012180447_100000057103 [0,0,0,0,0,0|2,1,1]=4 167 B13R1.599 Cc1ncsc1CCS[C@H](C)CO 62a_100000057103_100016084084 [0,0,0,0,0,0|2,1,1]=4 168 B13R1.599 Cc1ncsc1CCS[C@H](C)CO 62a_100016084084_100000057103 [0,0,0,0,0,0|2,1,1]=4 169 B13R1.599 Cn1ncnc1CCNC(=O)CO 240690a_100000686402_100000210174 [0,0,0,0,0,0|4,0,0]=4 170 B13R1.599 Cn1ncnc1CCNC(=O)CO 527a_100000686402_100000210174 [0,0,0,0,0,0|4,0,0]=4 171 B12R1.130 C=C(C)CCSc1scnc1C 62a_100000730704_100009817116 [1,0,0,0,0,0|3,0,0]=4 172 B12R1.130 C=C(C)CCSc1scnc1C 62a_100009817116_100000730704 [1,0,0,0,0,0|3,0,0]=4 173 B12R1.130 C=C(C)CNCc1scnc1C 2230a_100000752186_100000748629 [1,0,0,0,0,0|3,0,0]=4 174 B12R1.130 C=C(C)COCc1scnc1C 34a_100000750112_100000748629 [1,0,0,0,0,0|3,0,0]=4 175 B12R1.130 C=C(C)COCc1scnc1C 7a_100000750112_100000748629 [1,0,0,0,0,0|3,0,0]=4 176 B12R1.130 CC(=CCSc1scnc1C)C 62a_100000761012_100009817116 [1,0,0,0,0,0|3,0,0]=4 177 B12R1.130 CC(=CCSc1scnc1C)C 62a_100009817116_100000761012 [1,0,0,0,0,0|3,0,0]=4 178 B12R1.130 CC(=O)CCCn1ccnc1C 1458a_100000070787_100000690325 [1,0,0,0,0,0|3,0,0]=4 179 B12R1.130 CC(=O)CCCn1ccnc1C 1458a_100000748694_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B12R1.130 CC(=O)CCSc1sccc1C 62a_100000053229_100010247149 [1,0,0,0,0,0|3,0,0]=4 181 B12R1.130 CC(=O)CCSc1sccc1C 62a_100010247149_100000053229 [1,0,0,0,0,0|3,0,0]=4 182 B12R1.130 CC(=O)CCSc1scnc1C 62a_100000053229_100009817116 [1,0,0,0,0,0|2,0,0]=3 183 B12R1.130 CC(=O)CCSc1scnc1C 62a_100009817116_100000053229 [1,0,0,0,0,0|2,0,0]=3 184 B12R1.130 CC(=O)COCc1snnc1C 34a_100000211253_100000732739 [1,0,0,0,0,0|3,0,0]=4 185 B12R1.130 CC(=O)NCCc1ncnn1C 11a_100000686402_100015343762 [1,0,0,0,0,0|3,0,0]=4 186 B12R1.130 CC(=O)NCCc1ncnn1C 240690a_100000686402_100015343762 [1,0,0,0,0,0|3,0,0]=4 187 B12R1.130 CC(=O)NCCc1ncnn1C 527a_100000686402_100103153847 [1,0,0,0,0,0|3,0,0]=4 188 B12R1.130 CC(=O)NCCc1scnc1C 11a_100000238517_100015343762 [1,0,0,0,0,0|1,0,0]=2 189 B12R1.130 CC(=O)NCCc1scnc1C 1626a_100000238517_100015343762 [1,0,0,0,0,0|1,0,0]=2 190 B12R1.130 CC(=O)NCCc1scnc1C 240690a_100000238517_100015343762 [1,0,0,0,0,0|1,0,0]=2 191 B12R1.130 CC(=O)NCCc1scnc1C 527a_100000238517_100103153847 [1,0,0,0,0,0|1,0,0]=2 192 B12R1.130 CC(=O)NCCn1ccnc1C 11a_100015184736_100015343762 [1,0,0,0,0,0|3,0,0]=4 193 B12R1.130 CC(=O)NCCn1ccnc1C 1626a_100015184736_100015343762 [1,0,0,0,0,0|3,0,0]=4 194 B12R1.130 CC(=O)NCCn1ccnc1C 240690a_100015184736_100015343762 [1,0,0,0,0,0|3,0,0]=4 195 B12R1.130 CC(=O)NCCn1ccnc1C 527a_100015184736_100103153847 [1,0,0,0,0,0|3,0,0]=4 196 B12R1.130 CC(=O)NN=Cc1scnc1C 4a_100000189765_100000764165 [1,0,0,0,0,0|2,0,1]=4 197 B12R1.130 CC(=O)OCOc1ccnn1C 34a_100020632926_100009813279 [1,0,0,0,0,0|3,0,0]=4 198 B12R1.130 CC(=O)OCSc1[nH]cnc1Cl 62a_100000076356_100010200774 [1,0,0,0,0,0|3,0,0]=4 199 B12R1.130 CC(=O)OCSc1[nH]cnc1Cl 62a_100010200774_100000076356 [1,0,0,0,0,0|3,0,0]=4 200 B12R1.130 CC(=O)OCSc1c[nH]nc1C 62a_100000076356_100000692133 [1,0,0,0,0,0|3,0,0]=4 201 B12R1.130 CC(=O)OCSc1c[nH]nc1C 62a_100000692133_100000076356 [1,0,0,0,0,0|3,0,0]=4 202 B12R1.130 CC(=O)OCSc1ccnn1C 62a_100000076356_100000688441 [1,0,0,0,0,0|3,0,0]=4 203 B12R1.130 CC(=O)OCSc1ccnn1C 62a_100000688441_100000076356 [1,0,0,0,0,0|3,0,0]=4 204 B12R1.130 CC(=O)OCSc1ccsc1C 62a_100000076356_100000684487 [1,0,0,0,0,0|3,0,0]=4 205 B12R1.130 CC(=O)OCSc1ccsc1C 62a_100000684487_100000076356 [1,0,0,0,0,0|3,0,0]=4 206 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100000076356_100010186451 [1,0,0,0,0,0|2,0,1]=4 207 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000076356 [1,0,0,0,0,0|2,0,1]=4 208 B12R1.130 CC(=O)OCSc1ncnn1C 62a_100000076356_100000732653 [1,0,0,0,0,0|3,0,0]=4 209 B12R1.130 CC(=O)OCSc1ncnn1C 62a_100000732653_100000076356 [1,0,0,0,0,0|3,0,0]=4 210 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000076356_100000732656 [1,0,0,0,0,0|3,0,0]=4 211 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000732656_100000076356 [1,0,0,0,0,0|3,0,0]=4 212 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100000076356_100012361411 [1,0,0,0,0,0|3,0,0]=4 213 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100012361411_100000076356 [1,0,0,0,0,0|3,0,0]=4 214 B12R1.130 CC(=O)OCSc1sccc1C 62a_100000076356_100010247149 [1,0,0,0,0,0|2,0,0]=3 215 B12R1.130 CC(=O)OCSc1sccc1C 62a_100010247149_100000076356 [1,0,0,0,0,0|2,0,0]=3 216 B12R1.130 CC(=O)OCSc1scnc1C 62a_100000076356_100009817116 [1,0,0,0,0,0|1,0,0]=2 217 B12R1.130 CC(=O)OCSc1scnc1C 62a_100009817116_100000076356 [1,0,0,0,0,0|1,0,0]=2 218 B12R1.130 Cc1nccn1CCCC(=O)[13CH3] 1458a_100000748694_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B12R1.130 Cc1ncsc1CCNC(C)C 2230a_100000238517_100000210206 [1,0,0,0,0,0|2,0,1]=4 220 B12R1.130 Cc1ncsc1CCNC(C)C 2230a_100138425928_100000057103 [1,0,0,0,0,0|2,0,1]=4 221 B12R1.130 Cc1ncsc1CCNC(C)C 34a_100000238517_100000210206 [1,0,0,0,0,0|2,0,1]=4 222 B12R1.130 Cc1ncsc1CCNC(C)C 34a_100138425928_100000057103 [1,0,0,0,0,0|2,0,1]=4 223 B12R1.130 Cc1ncsc1CCOC(C)C 34a_100000211055_100000210206 [1,0,0,0,0,0|1,0,1]=3 224 B12R1.130 Cc1ncsc1CCOC(C)C 34a_100000212225_100000057103 [1,0,0,0,0,0|1,0,1]=3 225 B12R1.130 Cc1ncsc1CCOC(C)C 7a_100000211055_100000210206 [1,0,0,0,0,0|1,0,1]=3 226 B12R1.130 Cc1ncsc1CCSC(C)C 62a_100000057103_100000210206 [1,0,0,0,0,0|1,1,1]=4 227 B12R1.130 Cc1ncsc1CCSC(C)C 62a_100000210206_100000057103 [1,0,0,0,0,0|1,1,1]=4 228 B12R1.130 Cc1ncsc1CNCC(=O)N 2230a_100000752186_100000747473 [1,0,0,0,0,0|3,0,0]=4 229 B12R1.130 Cc1ncsc1COCC(=O)N 34a_100000750112_100000187820 [1,0,0,0,0,0|3,0,0]=4 230 B12R1.130 Cc1ncsc1COCC(=O)N 7a_100000750112_100000187820 [1,0,0,0,0,0|3,0,0]=4 231 B12R1.130 Cc1ncsc1COCC(=O)[O-] 34a_100000750112_100020667443 [1,0,0,0,0,0|3,0,0]=4 232 B12R1.130 Cc1ncsc1SCCC(=O)N 62a_100000744528_100009817116 [1,0,0,0,0,0|3,0,0]=4 233 B12R1.130 Cc1ncsc1SCCC(=O)N 62a_100009817116_100000744528 [1,0,0,0,0,0|3,0,0]=4 234 B12R1.130 Cc1ncsc1SCOC(C)C 62a_100000709892_100009817116 [1,0,0,0,0,0|2,0,1]=4 235 B12R1.130 Cc1ncsc1SCOC(C)C 62a_100009817116_100000709892 [1,0,0,0,0,0|2,0,1]=4 236 B12R1.372 C#CCOCCc1scnc1C 34a_100000210247_100000057103 [1,0,0,0,0,0|0,0,3]=4 237 B12R1.372 C#CCOCCc1scnc1C 34a_100000211055_100000184674 [1,0,0,0,0,0|0,0,3]=4 238 B12R1.372 C#CCOCCc1scnc1C 7a_100000211055_100000038162 [1,0,0,0,0,0|0,0,3]=4 239 B12R1.372 C/C=C/COCc1scnc1C 34a_100000750112_100102629194 [1,0,0,0,0,0|2,0,1]=4 240 B12R1.372 C/C=C/COCc1scnc1C 7a_100000750112_100102629194 [1,0,0,0,0,0|2,0,1]=4 241 B12R1.372 C=CCOCCc1scnc1C 34a_100000211055_100015514636 [1,0,0,0,0,0|0,0,3]=4 242 B12R1.372 C=CCOCCc1scnc1C 34a_200000210373_100000057103 [1,0,0,0,0,0|0,0,3]=4 243 B12R1.372 C=CCOCCc1scnc1C 7a_100000211055_100015514636 [1,0,0,0,0,0|0,0,3]=4 244 B12R1.372 CC/C=C\CSc1sccc1C 62a_100010247149_100103147603 [1,0,0,0,0,0|3,0,0]=4 245 B12R1.372 CC/C=C\CSc1sccc1C 62a_100103147603_100010247149 [1,0,0,0,0,0|3,0,0]=4 246 B12R1.372 CC/C=C\CSc1scnc1C 62a_100009817116_100103147603 [1,0,0,0,0,0|2,0,0]=3 247 B12R1.372 CC/C=C\CSc1scnc1C 62a_100103147603_100009817116 [1,0,0,0,0,0|2,0,0]=3 248 B12R1.372 CC=CCNCc1scnc1C 2230a_100000752186_100000070051 [1,0,0,0,0,0|2,0,1]=4 249 B12R1.372 CC=CCOCc1scnc1C 34a_100000750112_100000070051 [1,0,0,0,0,0|2,0,1]=4 250 B12R1.372 CC=CCOCc1scnc1C 7a_100000750112_100000070051 [1,0,0,0,0,0|2,0,1]=4 251 B12R1.372 CCC#CCSc1scnc1C 62a_100009813939_100009817116 [1,0,0,0,0,0|2,0,1]=4 252 B12R1.372 CCC#CCSc1scnc1C 62a_100009817116_100009813939 [1,0,0,0,0,0|2,0,1]=4 253 B12R1.372 CCCCCSc1scnc1C 62a_100000210326_100009817116 [1,0,0,0,0,0|2,0,1]=4 254 B12R1.372 CCCCCSc1scnc1C 62a_100009817116_100000210326 [1,0,0,0,0,0|2,0,1]=4 255 B12R1.372 CCCCNCc1scnc1C 207a_100000102301_100000764165 [1,0,0,0,0,0|2,0,1]=4 256 B12R1.372 CCCCNCc1scnc1C 2230a_100000752186_100000210211 [1,0,0,0,0,0|2,0,1]=4 257 B12R1.372 CCCCOCc1scnc1C 34a_100000750112_100000210210 [1,0,0,0,0,0|2,0,1]=4 258 B12R1.372 CCCCOCc1scnc1C 7a_100000750112_100000210211 [1,0,0,0,0,0|2,0,1]=4 259 B12R1.372 CCCNCCc1scnc1C 2230a_100000238517_100000210303 [1,0,0,0,0,0|1,0,1]=3 260 B12R1.372 CCCNCCc1scnc1C 34a_100000238517_100000210303 [1,0,0,0,0,0|1,0,1]=3 261 B12R1.372 CCCOCCc1scnc1C 34a_100000210258_100000057103 [1,0,0,0,0,0|0,0,1]=2 262 B12R1.372 CCCOCCc1scnc1C 34a_100000211055_100000210303 [1,0,0,0,0,0|0,0,1]=2 263 B12R1.372 CCCOCCc1scnc1C 7a_100000211055_100000210303 [1,0,0,0,0,0|0,0,1]=2 264 B12R1.372 CCCOCCn1ccnc1C 34a_100000702865_100000210303 [1,0,0,0,0,0|2,0,1]=4 265 B12R1.372 CCCOCCn1ccnc1C 7a_100000702865_100000210303 [1,0,0,0,0,0|2,0,1]=4 266 B12R1.372 CCCSCCc1scnc1C 62a_100000057103_100000210303 [1,0,0,0,0,0|0,1,1]=3 267 B12R1.372 CCCSCCc1scnc1C 62a_100000210303_100000057103 [1,0,0,0,0,0|0,1,1]=3 268 B12R1.372 CCOCCSc1scnc1C 62a_100000210147_100009817116 [1,0,0,0,0,0|3,0,0]=4 269 B12R1.372 CCOCCSc1scnc1C 62a_100009817116_100011215890 [1,0,0,0,0,0|3,0,0]=4 270 B12R1.372 CCSCCSc1scnc1C 62a_100000757381_100009817116 [1,0,0,0,0,0|3,0,0]=4 271 B12R1.372 CCSCCSc1scnc1C 62a_100009817116_100000757381 [1,0,0,0,0,0|3,0,0]=4 272 B12R1.372 COCNCCc1scnc1C 2230a_100000238517_100000766300 [1,0,0,0,0,0|2,0,1]=4 273 B12R1.372 COCSCCc1scnc1C 62a_100000057103_100000766300 [1,0,0,0,0,0|1,1,1]=4 274 B12R1.372 COCSCCc1scnc1C 62a_100000766300_100000057103 [1,0,0,0,0,0|1,1,1]=4 275 B12R1.372 CSCNCCc1scnc1C 2230a_100000238517_100011218213 [1,0,0,0,0,0|2,0,1]=4 276 B12R1.372 CSCNCCc1scnc1C 34a_100000238517_100011218213 [1,0,0,0,0,0|2,0,1]=4 277 B12R1.372 CSCOCCc1scnc1C 34a_100000211055_100011218213 [1,0,0,0,0,0|1,0,1]=3 278 B12R1.372 CSCSCCc1scnc1C 62a_100000057103_100011218213 [1,0,0,0,0,0|1,1,1]=4 279 B12R1.372 CSCSCCc1scnc1C 62a_100011218213_100000057103 [1,0,0,0,0,0|1,1,1]=4 280 B12R1.372 Cc1ncsc1CCNCCF 2230a_100000238517_100011217306 [1,0,0,0,0,0|2,0,1]=4 281 B12R1.372 Cc1ncsc1CCNCCF 34a_100000238517_100011217306 [1,0,0,0,0,0|2,0,1]=4 282 B12R1.372 Cc1ncsc1CCNCCF 34a_100000724931_100000057103 [1,0,0,0,0,0|2,0,1]=4 283 B12R1.372 Cc1ncsc1CCNCCO 2230a_100000238517_100000211926 [1,0,0,0,0,0|2,0,1]=4 284 B12R1.372 Cc1ncsc1CCNCCO 2230a_100016997473_100000057103 [1,0,0,0,0,0|2,0,1]=4 285 B12R1.372 Cc1ncsc1CCNCCO 34a_100000238517_100000211926 [1,0,0,0,0,0|2,0,1]=4 286 B12R1.372 Cc1ncsc1CCNCCO 34a_100016990907_100000057103 [1,0,0,0,0,0|2,0,1]=4 287 B12R1.372 Cc1ncsc1CCOCC#N 7a_100000211055_100011215382 [1,0,0,0,0,0|1,0,2]=4 288 B12R1.372 Cc1ncsc1CCOCC=O 34a_100000211055_200009817547 [1,0,0,0,0,0|1,0,2]=4 289 B12R1.372 Cc1ncsc1CCOCC=O 7a_100000211055_200015260668 [1,0,0,0,0,0|1,0,2]=4 290 B12R1.372 Cc1ncsc1CCOCCBr 34a_100000211926_100000057103 [1,0,0,0,0,0|1,0,1]=3 291 B12R1.372 Cc1ncsc1CCOCCF 34a_100000211055_100011217306 [1,0,0,0,0,0|1,0,1]=3 292 B12R1.372 Cc1ncsc1CCOCCF 7a_100000211055_100011217306 [1,0,0,0,0,0|1,0,1]=3 293 B12R1.372 Cc1ncsc1CCOCCN 34a_100000210304_100000057103 [1,0,0,0,0,0|1,0,1]=3 294 B12R1.372 Cc1ncsc1CCOCCO 34a_100000211055_100000211926 [1,0,0,0,0,0|1,0,1]=3 295 B12R1.372 Cc1ncsc1CCOCCO 7a_100000211055_100000211926 [1,0,0,0,0,0|1,0,1]=3 296 B12R1.372 Cc1ncsc1CCSCCF 62a_100000057103_100011217306 [1,0,0,0,0,0|1,1,1]=4 297 B12R1.372 Cc1ncsc1CCSCCF 62a_100011217306_100000057103 [1,0,0,0,0,0|1,1,1]=4 298 B12R1.372 Cc1ncsc1CCSCCO 62a_100000057103_100000211926 [1,0,0,0,0,0|1,1,1]=4 299 B12R1.372 Cc1ncsc1CCSCCO 62a_100000211926_100000057103 [1,0,0,0,0,0|1,1,1]=4 300 B12R1.477 C=CC(=O)NCCc1cncs1 1626a_100016991637_100000185746 [1,0,0,0,0,0|1,0,2]=4 301 B12R1.477 C=CC(=O)NCCc1cncs1 240690a_100016991637_200121576911 [1,0,0,0,0,0|1,0,2]=4 302 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [1,0,0,0,0,0|2,0,0]=3 303 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [1,0,0,0,0,0|2,0,0]=3 304 B12R1.477 CCC(=O)CCCn1ccnc1 1458a_100000210414_100000756272 [1,0,0,0,0,0|3,0,0]=4 305 B12R1.477 CCC(=O)CCCn1ccnc1 1458a_100000748695_100000210202 [1,0,0,0,0,0|3,0,0]=4 306 B12R1.477 CCC(=O)CCCn1cncn1 1458a_100000210414_100102700105 [1,0,0,0,0,0|3,0,0]=4 307 B12R1.477 CCC(=O)CCCn1cncn1 1458a_100015186313_100000210202 [1,0,0,0,0,0|3,0,0]=4 308 B12R1.477 CCC(=O)COCc1cncs1 34a_100000725409_100015185245 [1,0,0,0,0,0|2,0,0]=3 309 B12R1.477 CCC(=O)CSCc1cncs1 62a_100000747405_100015185245 [1,0,0,0,0,0|2,0,0]=3 310 B12R1.477 CCC(=O)CSCc1cncs1 62a_100015185245_100000747405 [1,0,0,0,0,0|2,0,0]=3 311 B12R1.477 CCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000210414 [1,0,0,0,0,0|2,0,1]=4 312 B12R1.477 CCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000210414 [1,0,0,0,0,0|2,0,1]=4 313 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [1,0,0,0,0,0|2,1,0]=4 314 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [1,0,0,0,0,0|2,1,0]=4 315 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [1,0,0,0,0,0|2,1,0]=4 316 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [1,0,0,0,0,0|2,1,0]=4 317 B12R1.477 CCC(=O)NCCc1cccs1 11a_100000203755_100000210414 [1,0,0,0,0,0|2,0,0]=3 318 B12R1.477 CCC(=O)NCCc1cccs1 1626a_100000203755_100000210414 [1,0,0,0,0,0|2,0,0]=3 319 B12R1.477 CCC(=O)NCCc1cccs1 240690a_100000203755_100000210414 [1,0,0,0,0,0|2,0,0]=3 320 B12R1.477 CCC(=O)NCCc1cccs1 527a_100000203755_100000210414 [1,0,0,0,0,0|2,0,0]=3 321 B12R1.477 CCC(=O)NCCc1ccsc1 11a_100000692642_100000210414 [1,0,0,0,0,0|3,0,0]=4 322 B12R1.477 CCC(=O)NCCc1ccsc1 1626a_100000692642_100000210414 [1,0,0,0,0,0|3,0,0]=4 323 B12R1.477 CCC(=O)NCCc1ccsc1 240690a_100000692642_100000210414 [1,0,0,0,0,0|3,0,0]=4 324 B12R1.477 CCC(=O)NCCc1ccsc1 527a_100000692642_100000210414 [1,0,0,0,0,0|3,0,0]=4 325 B12R1.477 CCC(=O)NCCc1cn[nH]c1 240690a_100000732747_100000210414 [1,0,0,0,0,0|3,0,0]=4 326 B12R1.477 CCC(=O)NCCc1cn[nH]c1 527a_100000732747_100000210414 [1,0,0,0,0,0|3,0,0]=4 327 B12R1.477 CCC(=O)NCCc1cncs1 11a_100016991637_100000210414 [1,0,0,0,0,0|1,0,0]=2 328 B12R1.477 CCC(=O)NCCc1cncs1 1626a_100016991637_100000210414 [1,0,0,0,0,0|1,0,0]=2 329 B12R1.477 CCC(=O)NCCc1cncs1 240690a_100016991637_100000210414 [1,0,0,0,0,0|1,0,0]=2 330 B12R1.477 CCC(=O)NCCc1cncs1 527a_100016991637_100000210414 [1,0,0,0,0,0|1,0,0]=2 331 B12R1.477 CCC(=O)NCCc1nccs1 11a_100015186391_100000210414 [1,0,0,0,0,0|3,0,0]=4 332 B12R1.477 CCC(=O)NCCc1nccs1 1626a_100015186391_100000210414 [1,0,0,0,0,0|3,0,0]=4 333 B12R1.477 CCC(=O)NCCc1nccs1 240690a_100015186391_100000210414 [1,0,0,0,0,0|3,0,0]=4 334 B12R1.477 CCC(=O)NCCc1nccs1 527a_100015186391_100000210414 [1,0,0,0,0,0|3,0,0]=4 335 B12R1.477 CCC(=O)NCCn1ccnc1 11a_100000230061_100000210414 [1,0,0,0,0,0|3,0,0]=4 336 B12R1.477 CCC(=O)NCCn1ccnc1 240690a_100000230061_100000210414 [1,0,0,0,0,0|3,0,0]=4 337 B12R1.477 CCC(=O)NCCn1ccnc1 527a_100000230061_100000210414 [1,0,0,0,0,0|3,0,0]=4 338 B12R1.477 CCC(=O)NCCn1cncn1 11a_200000738561_100000210414 [1,0,0,0,0,0|3,0,0]=4 339 B12R1.477 CCC(=O)NCCn1cncn1 240690a_200000738561_100000210414 [1,0,0,0,0,0|3,0,0]=4 340 B12R1.477 CCC(=O)NN=Cc1cncs1 4a_100000183195_100000749870 [1,0,0,0,0,0|2,0,1]=4 341 B12R1.477 CCC(C)NCCc1cncs1 2230a_100016991637_100000758301 [1,0,0,0,0,0|2,0,1]=4 342 B12R1.477 CCC(C)OCCc1cccs1 34a_100011216825_100011215416 [1,0,0,0,0,0|2,0,1]=4 343 B12R1.477 CCC(C)OCCc1cccs1 7a_100000210228_100000748579 [1,0,0,0,0,0|2,0,1]=4 344 B12R1.477 CCC(C)OCCc1cccs1 7a_100011216825_100000758301 [1,0,0,0,0,0|2,0,1]=4 345 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [1,0,0,0,0,0|3,0,0]=4 346 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [1,0,0,0,0,0|3,0,0]=4 347 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [1,0,0,0,0,0|3,0,0]=4 348 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [1,0,0,0,0,0|3,0,0]=4 349 B12R1.477 CNC(=O)CCSc1cncs1 62a_100000737683_100011934649 [1,0,0,0,0,0|3,0,0]=4 350 B12R1.477 CNC(=O)CCSc1cncs1 62a_100011934649_100000737683 [1,0,0,0,0,0|3,0,0]=4 351 B12R1.477 CNC(=O)CNCc1cncs1 207a_100000693194_100000749870 [1,0,0,0,0,0|3,0,0]=4 352 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100000693194_100015185245 [1,0,0,0,0,0|3,0,0]=4 353 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100016987365_100000183359 [1,0,0,0,0,0|3,0,0]=4 354 B12R1.477 CNC(=O)CNCc1cncs1 270004a_100000693194_100000749870 [1,0,0,0,0,0|3,0,0]=4 355 B12R1.477 CNC(=O)COCc1cncs1 34a_100000750040_100015185245 [1,0,0,0,0,0|3,0,0]=4 356 B12R1.477 CNC(=O)CSCc1cncs1 62a_100000183359_100015185245 [1,0,0,0,0,0|3,0,0]=4 357 B12R1.477 CNC(=O)CSCc1cncs1 62a_100015185245_100000183359 [1,0,0,0,0,0|3,0,0]=4 358 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100000203755_106832991635 [1,0,0,0,0,0|3,0,0]=4 359 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100102657272_100000203755 [1,0,0,0,0,0|3,0,0]=4 360 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100000203755_100102657272 [1,0,0,0,0,0|3,0,0]=4 361 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100102657272_100000203755 [1,0,0,0,0,0|3,0,0]=4 362 B12R1.477 CNC(=O)NCCc1cccs1 512a_100000203755_100102657272 [1,0,0,0,0,0|3,0,0]=4 363 B12R1.477 CNC(=O)NCCc1cccs1 512a_106832991638_100000203755 [1,0,0,0,0,0|3,0,0]=4 364 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100016991637_106832991635 [1,0,0,0,0,0|2,0,0]=3 365 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100102657272_100016991637 [1,0,0,0,0,0|2,0,0]=3 366 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100016991637_100102657272 [1,0,0,0,0,0|2,0,0]=3 367 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100102657272_100016991637 [1,0,0,0,0,0|2,0,0]=3 368 B12R1.477 CNC(=O)NCCc1cncs1 512a_100016991637_100102657272 [1,0,0,0,0,0|2,0,0]=3 369 B12R1.477 CNC(=O)NCCc1cncs1 512a_106832991638_100016991637 [1,0,0,0,0,0|2,0,0]=3 370 B12R1.477 COC(=O)CCSc1cncs1 62a_100000204255_100011934649 [1,0,0,0,0,0|3,0,0]=4 371 B12R1.477 COC(=O)CCSc1cncs1 62a_100011934649_100000204255 [1,0,0,0,0,0|3,0,0]=4 372 B12R1.477 COC(=O)CNCc1cncs1 2230a_100016987365_100000747449 [1,0,0,0,0,0|3,0,0]=4 373 B12R1.477 COC(=O)CSCc1cncs1 62a_100000747449_100015185245 [1,0,0,0,0,0|3,0,0]=4 374 B12R1.477 COC(=O)CSCc1cncs1 62a_100015185245_100000747449 [1,0,0,0,0,0|3,0,0]=4 375 B12R1.477 COC(=O)OCSc1cccs1 62a_100011215356_100000139417 [1,0,0,0,0,0|3,0,0]=4 376 B12R1.477 COC(=O)OCSc1cnco1 62a_100020591547_100000139417 [1,0,0,0,0,0|2,1,0]=4 377 B12R1.477 COC(=O)OCSc1cncs1 62a_100011934649_100000139417 [1,0,0,0,0,0|2,0,0]=3 378 B12R1.477 COC(=O)OCSc1nncs1 62a_100000739804_100000139417 [1,0,0,0,0,0|3,0,0]=4 379 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [1,0,0,0,0,0|3,0,0]=4 380 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [1,0,0,0,0,0|3,0,0]=4 381 B12R1.477 O=C(CO)NCCc1cccs1 240690a_100000203755_100000210174 [1,0,0,0,0,0|3,0,0]=4 382 B12R1.477 O=C(CO)NCCc1cccs1 527a_100000203755_100000210174 [1,0,0,0,0,0|3,0,0]=4 383 B12R1.477 O=C(CO)NCCc1cncs1 240690a_100016991637_100000210174 [1,0,0,0,0,0|2,0,0]=3 384 B12R1.477 O=C(CO)NCCc1cncs1 527a_100016991637_100000210174 [1,0,0,0,0,0|2,0,0]=3 385 B14R1.109 CCC(=O)NCCn1ccnc1CC 11a_100020604629_100000210414 [0,1,0,0,0,0|3,0,0]=4 386 B14R1.109 CCC(=O)NCCn1ccnc1CC 1626a_100020604629_100000210414 [0,1,0,0,0,0|3,0,0]=4 387 B14R1.109 CCC(=O)NCCn1ccnc1CC 240690a_100020604629_100000210414 [0,1,0,0,0,0|3,0,0]=4 388 B14R1.109 CCC(=O)NCCn1ccnc1CC 527a_100020604629_100000210414 [0,1,0,0,0,0|3,0,0]=4 389 B14R1.109 CCc1ccsc1SCOC(=O)OC 62a_200009875468_100000139417 [0,1,0,0,0,0|3,0,0]=4 390 B14R1.109 COC(=O)OCSc1sccc1CN 62a_100000727803_100000139417 [0,1,0,0,0,0|3,0,0]=4 391 B14R1.109 COC(=O)OCSc1sccc1CO 62a_100009816922_100000139417 [0,1,0,0,0,0|3,0,0]=4 392 B14R1.239 C=C(Br)C(=O)NCCc1scnc1C 11a_100000238517_100009813364 [0,1,0,0,0,0|1,0,2]=4 393 B14R1.239 C=C(Br)C(=O)NCCc1scnc1C 1626a_100000238517_100009813364 [0,1,0,0,0,0|1,0,2]=4 394 B14R1.239 C=C(C)C(=O)NCCc1scnc1C 11a_100000238517_100000185857 [0,1,0,0,0,0|1,0,1]=3 395 B14R1.239 C=C(C)C(=O)NCCc1scnc1C 1626a_100000238517_100000185857 [0,1,0,0,0,0|1,0,1]=3 396 B14R1.239 C=C(Cl)C(=O)NCCc1scnc1C 11a_100000238517_100000039160 [0,1,0,0,0,0|1,0,2]=4 397 B14R1.239 C=C(Cl)C(=O)NCCc1scnc1C 1626a_100000238517_100000039160 [0,1,0,0,0,0|1,0,2]=4 398 B14R1.239 C=C(F)C(=O)NCCc1scnc1C 11a_100000238517_100000036797 [0,1,0,0,0,0|1,0,2]=4 399 B14R1.239 C=C(F)C(=O)NCCc1scnc1C 1626a_100000238517_100000036797 [0,1,0,0,0,0|1,0,2]=4 400 B14R1.239 CC(=O)C(=O)COCc1scnc1C 34a_100000750112_100011261029 [0,1,0,0,0,0|2,0,1]=4 401 B14R1.239 CC(=O)C(C)OCCc1scnc1C 34a_100000212229_100000057103 [0,1,0,0,0,0|1,0,2]=4 402 B14R1.239 CC(=O)C(C)OCCc1scnc1C 7a_100000211055_100000179758 [0,1,0,0,0,0|1,0,2]=4 403 B14R1.239 CC(C)C(=O)COCc1scnc1Br 7a_100012000948_100000753385 [0,1,0,0,0,0|3,0,0]=4 404 B14R1.239 CC(C)C(=O)NCCc1ncnn1C 11a_100000686402_100000210198 [0,1,0,0,0,0|3,0,0]=4 405 B14R1.239 CC(C)C(=O)NCCc1ncnn1C 240690a_100000686402_100000210198 [0,1,0,0,0,0|3,0,0]=4 406 B14R1.239 CC(C)C(=O)NCCc1ncnn1C 527a_100000686402_100000210198 [0,1,0,0,0,0|3,0,0]=4 407 B14R1.239 CC(C)C(=O)OCSc1[nH]cnc1Cl 62a_100000139345_100010200774 [0,1,0,0,0,0|3,0,0]=4 408 B14R1.239 CC(C)C(=O)OCSc1[nH]cnc1Cl 62a_100010200774_100000139345 [0,1,0,0,0,0|3,0,0]=4 409 B14R1.239 CC(C)C(=O)OCSc1ccnn1C 62a_100000139345_100000688441 [0,1,0,0,0,0|3,0,0]=4 410 B14R1.239 CC(C)C(=O)OCSc1ccnn1C 62a_100000688441_100000139345 [0,1,0,0,0,0|3,0,0]=4 411 B14R1.239 CC(C)C(=O)OCSc1ncnn1C 62a_100000139345_100000732653 [0,1,0,0,0,0|3,0,0]=4 412 B14R1.239 CC(C)C(=O)OCSc1ncnn1C 62a_100000732653_100000139345 [0,1,0,0,0,0|3,0,0]=4 413 B14R1.239 CC(C)C(=O)OCSc1sccc1Br 62a_100000139345_100012361411 [0,1,0,0,0,0|3,0,0]=4 414 B14R1.239 CC(C)C(=O)OCSc1sccc1Br 62a_100012361411_100000139345 [0,1,0,0,0,0|3,0,0]=4 415 B14R1.239 CC(F)C(=O)NCCc1ncnn1C 11a_100000686402_100000062450 [0,1,0,0,0,0|3,0,0]=4 416 B14R1.239 CC(F)C(=O)NCCc1ncnn1C 240690a_100000686402_100000062450 [0,1,0,0,0,0|3,0,0]=4 417 B14R1.239 CC(F)C(=O)NCCc1ncnn1C 527a_100000686402_100000062450 [0,1,0,0,0,0|3,0,0]=4 418 B14R1.239 C[C@@H](O)C(=O)NCCc1ncnn1C 240690a_100000686402_100000717761 [0,1,0,0,0,0|3,0,0]=4 419 B14R1.239 C[C@H](O)C(=O)NCCc1ncnn1C 240690a_100000686402_217856618621 [0,1,0,0,0,0|3,0,0]=4 420 B14R1.239 Cc1[nH]cnc1SCOC(=O)C(C)C 62a_100000139345_100010186451 [0,1,0,0,0,0|2,0,1]=4 421 B14R1.239 Cc1[nH]cnc1SCOC(=O)C(C)C 62a_100010186451_100000139345 [0,1,0,0,0,0|2,0,1]=4 422 B14R1.239 Cc1ccsc1CNCC(=O)C(C)C 2230a_100000238519_100000753385 [0,1,0,0,0,0|3,0,0]=4 423 B14R1.239 Cc1ccsc1CNCC(=O)C(C)C 34a_100000238519_100000753385 [0,1,0,0,0,0|3,0,0]=4 424 B14R1.239 Cc1ccsc1COCC(=O)C(C)C 34a_100000238368_100000753385 [0,1,0,0,0,0|3,0,0]=4 425 B14R1.239 Cc1ccsc1COCC(=O)C(C)C 7a_100000238368_100000753385 [0,1,0,0,0,0|3,0,0]=4 426 B14R1.239 Cc1ccsc1SCOC(=O)C(C)C 62a_100000139345_100010247149 [0,1,0,0,0,0|2,0,0]=3 427 B14R1.239 Cc1ccsc1SCOC(=O)C(C)C 62a_100010247149_100000139345 [0,1,0,0,0,0|2,0,0]=3 428 B14R1.239 Cc1n[nH]cc1SCOC(=O)C(C)C 62a_100000139345_100000692133 [0,1,0,0,0,0|3,0,0]=4 429 B14R1.239 Cc1n[nH]cc1SCOC(=O)C(C)C 62a_100000692133_100000139345 [0,1,0,0,0,0|3,0,0]=4 430 B14R1.239 Cc1nccn1CCCC(=O)C(C)C 1458a_100000210198_100000690325 [0,1,0,0,0,0|3,0,0]=4 431 B14R1.239 Cc1nccn1CCCC(=O)C(C)C 1458a_100000748694_100000210206 [0,1,0,0,0,0|3,0,0]=4 432 B14R1.239 Cc1nccn1CCCC(=O)C(C)F 1458a_100000062450_100000690325 [0,1,0,0,0,0|3,0,0]=4 433 B14R1.239 Cc1nccn1CCCC(=O)[C@@H](C)O 1458a_100000717761_100000690325 [0,1,0,0,0,0|3,0,0]=4 434 B14R1.239 Cc1nccn1CCCC(=O)[C@H](C)O 1458a_217856618621_100000690325 [0,1,0,0,0,0|3,0,0]=4 435 B14R1.239 Cc1nccn1CCNC(=O)C(C)C 11a_100015184736_100000210198 [0,1,0,0,0,0|3,0,0]=4 436 B14R1.239 Cc1nccn1CCNC(=O)C(C)C 1626a_100015184736_100000210198 [0,1,0,0,0,0|3,0,0]=4 437 B14R1.239 Cc1nccn1CCNC(=O)C(C)C 240690a_100015184736_100000210198 [0,1,0,0,0,0|3,0,0]=4 438 B14R1.239 Cc1nccn1CCNC(=O)C(C)C 527a_100015184736_100000210198 [0,1,0,0,0,0|3,0,0]=4 439 B14R1.239 Cc1nccn1CCNC(=O)C(C)F 11a_100015184736_100000062450 [0,1,0,0,0,0|3,0,0]=4 440 B14R1.239 Cc1nccn1CCNC(=O)C(C)F 1626a_100015184736_100000062450 [0,1,0,0,0,0|3,0,0]=4 441 B14R1.239 Cc1nccn1CCNC(=O)C(C)F 240690a_100015184736_100000062450 [0,1,0,0,0,0|3,0,0]=4 442 B14R1.239 Cc1nccn1CCNC(=O)C(C)F 527a_100015184736_100000062450 [0,1,0,0,0,0|3,0,0]=4 443 B14R1.239 Cc1nccn1CCNC(=O)[C@@H](C)O 240690a_100015184736_100000717761 [0,1,0,0,0,0|3,0,0]=4 444 B14R1.239 Cc1nccn1CCNC(=O)[C@H](C)O 1626a_100015184736_217856618621 [0,1,0,0,0,0|3,0,0]=4 445 B14R1.239 Cc1nccn1CCNC(=O)[C@H](C)O 240690a_100015184736_217856618621 [0,1,0,0,0,0|3,0,0]=4 446 B14R1.239 Cc1ncoc1COCC(=O)C(C)C 34a_100000717716_100000753385 [0,1,0,0,0,0|2,1,0]=4 447 B14R1.239 Cc1ncoc1COCC(=O)C(C)C 7a_100000717716_100000753385 [0,1,0,0,0,0|2,1,0]=4 448 B14R1.239 Cc1ncsc1C=NNC(=O)C(C)C 4a_100000184118_100000764165 [0,1,0,0,0,0|2,0,1]=4 449 B14R1.239 Cc1ncsc1CCNC(=O)C(=O)N 240690a_100000238517_100011215815 [0,1,0,0,0,0|2,0,1]=4 450 B14R1.239 Cc1ncsc1CCNC(=O)C(C)C 11a_100000238517_100000210198 [0,1,0,0,0,0|1,0,0]=2 451 B14R1.239 Cc1ncsc1CCNC(=O)C(C)C 1626a_100000238517_100000210198 [0,1,0,0,0,0|1,0,0]=2 452 B14R1.239 Cc1ncsc1CCNC(=O)C(C)C 240690a_100000238517_100000210198 [0,1,0,0,0,0|1,0,0]=2 453 B14R1.239 Cc1ncsc1CCNC(=O)C(C)C 527a_100000238517_100000210198 [0,1,0,0,0,0|1,0,0]=2 454 B14R1.239 Cc1ncsc1CCNC(=O)C(C)F 11a_100000238517_100000062450 [0,1,0,0,0,0|1,0,0]=2 455 B14R1.239 Cc1ncsc1CCNC(=O)C(C)F 1626a_100000238517_100000062450 [0,1,0,0,0,0|1,0,0]=2 456 B14R1.239 Cc1ncsc1CCNC(=O)C(C)F 240690a_100000238517_100000062450 [0,1,0,0,0,0|1,0,0]=2 457 B14R1.239 Cc1ncsc1CCNC(=O)C(C)F 527a_100000238517_100000062450 [0,1,0,0,0,0|1,0,0]=2 458 B14R1.239 Cc1ncsc1CCNC(=O)C(F)F 11a_100000238517_100000210393 [0,1,0,0,0,0|2,0,0]=3 459 B14R1.239 Cc1ncsc1CCNC(=O)C(F)F 1626a_100000238517_100000210393 [0,1,0,0,0,0|2,0,0]=3 460 B14R1.239 Cc1ncsc1CCNC(=O)C(F)F 240690a_100000238517_100000210393 [0,1,0,0,0,0|2,0,0]=3 461 B14R1.239 Cc1ncsc1CCNC(=O)C(F)F 527a_100000238517_100000210393 [0,1,0,0,0,0|2,0,0]=3 462 B14R1.239 Cc1ncsc1CCNC(=O)C(O)O 240690a_100000238517_100000233687 [0,1,0,0,0,0|2,0,0]=3 463 B14R1.239 Cc1ncsc1CCNC(=O)N(C)C 2708a_100000238517_100102631434 [0,1,0,0,0,0|2,0,0]=3 464 B14R1.239 Cc1ncsc1CCNC(=O)[C@@H](C)O 240690a_100000238517_100000717761 [0,1,0,0,0,0|1,0,0]=2 465 B14R1.239 Cc1ncsc1CCNC(=O)[C@H](C)O 1626a_100000238517_217856618621 [0,1,0,0,0,0|1,0,0]=2 466 B14R1.239 Cc1ncsc1CCNC(=O)[C@H](C)O 240690a_100000238517_217856618621 [0,1,0,0,0,0|1,0,0]=2 467 B14R1.239 Cc1ncsc1CCNC(C)C(C)C 2230a_100000211541_100000057103 [0,1,0,0,0,0|2,0,1]=4 468 B14R1.239 Cc1ncsc1CCOC(C)C(C)C 7a_100000748068_100000057103 [0,1,0,0,0,0|1,0,1]=3 469 B14R1.239 Cc1ncsc1CNCC(=O)C(C)C 2230a_100000752186_100000753385 [0,1,0,0,0,0|2,0,0]=3 470 B14R1.239 Cc1ncsc1CNCC(=O)N(C)C 2230a_100000752186_100000185267 [0,1,0,0,0,0|3,0,0]=4 471 B14R1.239 Cc1ncsc1COCC(=O)C(C)C 34a_100000750112_100000753385 [0,1,0,0,0,0|2,0,0]=3 472 B14R1.239 Cc1ncsc1COCC(=O)C(C)C 7a_100000750112_100000753385 [0,1,0,0,0,0|2,0,0]=3 473 B14R1.239 Cc1ncsc1COCC(=O)N(C)C 34a_100000750112_100000692301 [0,1,0,0,0,0|3,0,0]=4 474 B14R1.239 Cc1ncsc1COCC(=O)N(C)C 7a_100000750112_100000692301 [0,1,0,0,0,0|3,0,0]=4 475 B14R1.239 Cc1ncsc1SCCC(=O)N(C)C 62a_100000737620_100009817116 [0,1,0,0,0,0|3,0,0]=4 476 B14R1.239 Cc1ncsc1SCCC(=O)N(C)C 62a_100009817116_100000737620 [0,1,0,0,0,0|3,0,0]=4 477 B14R1.239 Cc1ncsc1SCOC(=O)C(C)C 62a_100000139345_100009817116 [0,1,0,0,0,0|1,0,0]=2 478 B14R1.239 Cc1ncsc1SCOC(=O)C(C)C 62a_100009817116_100000139345 [0,1,0,0,0,0|1,0,0]=2 479 B14R1.239 Cc1nnsc1CNCC(=O)C(C)C 2230a_100000732738_100000753385 [0,1,0,0,0,0|3,0,0]=4 480 B14R1.239 Cc1nnsc1CSCC(=O)C(C)C 62a_100000732739_100000753385 [0,1,0,0,0,0|3,0,0]=4 481 B14R1.239 Cc1nnsc1CSCC(=O)C(C)C 62a_100000753385_100000732739 [0,1,0,0,0,0|3,0,0]=4 482 B14R1.239 Cc1sccc1SCOC(=O)C(C)C 62a_100000139345_100000684487 [0,1,0,0,0,0|3,0,0]=4 483 B14R1.239 Cc1sccc1SCOC(=O)C(C)C 62a_100000684487_100000139345 [0,1,0,0,0,0|3,0,0]=4 484 B14R1.239 Cc1scnc1SCOC(=O)C(C)C 62a_100000139345_100000732656 [0,1,0,0,0,0|3,0,0]=4 485 B14R1.239 Cc1scnc1SCOC(=O)C(C)C 62a_100000732656_100000139345 [0,1,0,0,0,0|3,0,0]=4 486 B14R1.596 CCC(=O)CN(C)Cc1sccc1C 269982a_100000695154_100000747405 [0,1,0,0,0,0|3,0,0]=4 487 B14R1.596 COC(=O)CC(C)Sc1scnc1C 62a_100009817116_100009817358 [0,1,0,0,0,0|3,0,0]=4 488 B14R1.596 COC(=O)CC(C)Sc1scnc1C 62a_100009817358_100009817116 [0,1,0,0,0,0|3,0,0]=4 489 B14R1.948 C#CCC(=O)NCCc1scnc1C 1626a_100000238517_100011220946 [0,1,0,0,0,0|1,0,1]=3 490 B14R1.948 C#CCC(=O)NCCc1scnc1C 527a_100000238517_100011220946 [0,1,0,0,0,0|1,0,1]=3 491 B14R1.948 C#CCC(C)OCCc1scnc1C 34a_100000685586_100000057103 [0,1,0,0,0,0|1,0,2]=4 492 B14R1.948 C#CCC(C)OCCc1scnc1C 7a_100000685586_100000057103 [0,1,0,0,0,0|1,0,2]=4 493 B14R1.948 C/C=C/C(C)OCCc1scnc1C 34a_200102604097_100000057103 [0,1,0,0,0,0|1,0,2]=4 494 B14R1.948 C=CCC(=O)NCCc1scnc1C 11a_100000238517_100000210193 [0,1,0,0,0,0|1,0,1]=3 495 B14R1.948 C=CCC(=O)NCCc1scnc1C 1626a_100000238517_100000210193 [0,1,0,0,0,0|1,0,1]=3 496 B14R1.948 C=CCC(=O)NCCc1scnc1C 240690a_100000238517_100000210193 [0,1,0,0,0,0|1,0,1]=3 497 B14R1.948 C=CCC(=O)NCCc1scnc1C 527a_100000238517_100000210193 [0,1,0,0,0,0|1,0,1]=3 498 B14R1.948 C=CC[C@@H](C)OCCc1scnc1C 34a_100000731007_100000057103 [0,1,0,0,0,0|1,0,2]=4 499 B14R1.948 C=CC[C@@H](C)OCCc1scnc1C 7a_100000731007_100000057103 [0,1,0,0,0,0|1,0,2]=4 500 B14R1.948 CC#CC(C)OCCc1scnc1C 34a_100011216543_100000057103 [0,1,0,0,0,0|1,0,2]=4 501 B14R1.948 CC=CC(=O)NCCc1scnc1C 11a_100000238517_100000210699 [0,1,0,0,0,0|1,0,1]=3 502 B14R1.948 CC=CC(=O)NCCc1scnc1C 1626a_100000238517_100000210699 [0,1,0,0,0,0|1,0,1]=3 503 B14R1.948 CC=CC(=O)NCCc1scnc1C 240690a_100000238517_100000210699 [0,1,0,0,0,0|1,0,1]=3 504 B14R1.948 CCCC(=O)CCCn1ccnc1C 1458a_100000211992_100000690325 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.948 CCCC(=O)CCCn1ccnc1C 1458a_100000748694_100000210303 [0,1,0,0,0,0|3,0,0]=4 506 B14R1.948 CCCC(=O)CNCc1sccc1C 2230a_100000238519_100000747444 [0,1,0,0,0,0|3,0,0]=4 507 B14R1.948 CCCC(=O)CNCc1scnc1C 2230a_100000752186_100000747444 [0,1,0,0,0,0|2,0,0]=3 508 B14R1.948 CCCC(=O)CNCc1snnc1C 2230a_100000732738_100000747444 [0,1,0,0,0,0|3,0,0]=4 509 B14R1.948 CCCC(=O)COCc1ocnc1C 7a_100000717716_100000747444 [0,1,0,0,0,0|2,1,0]=4 510 B14R1.948 CCCC(=O)COCc1sccc1C 7a_100000238368_100000747444 [0,1,0,0,0,0|3,0,0]=4 511 B14R1.948 CCCC(=O)COCc1scnc1Br 7a_100012000948_100000747444 [0,1,0,0,0,0|3,0,0]=4 512 B14R1.948 CCCC(=O)COCc1scnc1C 7a_100000750112_100000747444 [0,1,0,0,0,0|2,0,0]=3 513 B14R1.948 CCCC(=O)CSCc1snnc1C 62a_100000732739_100000747444 [0,1,0,0,0,0|3,0,0]=4 514 B14R1.948 CCCC(=O)CSCc1snnc1C 62a_100000747444_100000732739 [0,1,0,0,0,0|3,0,0]=4 515 B14R1.948 CCCC(=O)NCCc1ncnn1C 11a_100000686402_100000211992 [0,1,0,0,0,0|3,0,0]=4 516 B14R1.948 CCCC(=O)NCCc1ncnn1C 240690a_100000686402_100000211992 [0,1,0,0,0,0|3,0,0]=4 517 B14R1.948 CCCC(=O)NCCc1ncnn1C 527a_100000686402_100000211992 [0,1,0,0,0,0|3,0,0]=4 518 B14R1.948 CCCC(=O)NCCc1scnc1C 11a_100000238517_100000211992 [0,1,0,0,0,0|1,0,0]=2 519 B14R1.948 CCCC(=O)NCCc1scnc1C 1626a_100000238517_100000211992 [0,1,0,0,0,0|1,0,0]=2 520 B14R1.948 CCCC(=O)NCCc1scnc1C 240690a_100000238517_100000211992 [0,1,0,0,0,0|1,0,0]=2 521 B14R1.948 CCCC(=O)NCCc1scnc1C 527a_100000238517_100000211992 [0,1,0,0,0,0|1,0,0]=2 522 B14R1.948 CCCC(=O)NCCn1ccnc1C 11a_100015184736_100000211992 [0,1,0,0,0,0|3,0,0]=4 523 B14R1.948 CCCC(=O)NCCn1ccnc1C 1626a_100015184736_100000211992 [0,1,0,0,0,0|3,0,0]=4 524 B14R1.948 CCCC(=O)NCCn1ccnc1C 240690a_100015184736_100000211992 [0,1,0,0,0,0|3,0,0]=4 525 B14R1.948 CCCC(=O)NCCn1ccnc1C 527a_100015184736_100000211992 [0,1,0,0,0,0|3,0,0]=4 526 B14R1.948 CCCC(=O)NN=Cc1scnc1C 4a_100000189770_100000764165 [0,1,0,0,0,0|2,0,1]=4 527 B14R1.948 CCCC(=O)OCOc1ccnn1C 34a_100020632926_100000034017 [0,1,0,0,0,0|3,0,0]=4 528 B14R1.948 CCCC(=O)OCSc1[nH]cnc1Cl 62a_100010200774_100000034017 [0,1,0,0,0,0|3,0,0]=4 529 B14R1.948 CCCC(=O)OCSc1c[nH]nc1C 62a_100000692133_100000034017 [0,1,0,0,0,0|3,0,0]=4 530 B14R1.948 CCCC(=O)OCSc1ccnn1C 62a_100000688441_100000034017 [0,1,0,0,0,0|3,0,0]=4 531 B14R1.948 CCCC(=O)OCSc1ccsc1C 62a_100000684487_100000034017 [0,1,0,0,0,0|3,0,0]=4 532 B14R1.948 CCCC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000034017 [0,1,0,0,0,0|2,0,1]=4 533 B14R1.948 CCCC(=O)OCSc1ncnn1C 62a_100000732653_100000034017 [0,1,0,0,0,0|3,0,0]=4 534 B14R1.948 CCCC(=O)OCSc1ncsc1C 62a_100000732656_100000034017 [0,1,0,0,0,0|3,0,0]=4 535 B14R1.948 CCCC(=O)OCSc1sccc1Br 62a_100012361411_100000034017 [0,1,0,0,0,0|3,0,0]=4 536 B14R1.948 CCCC(=O)OCSc1sccc1C 62a_100010247149_100000034017 [0,1,0,0,0,0|2,0,0]=3 537 B14R1.948 CCCC(=O)OCSc1scnc1C 62a_100009817116_100000034017 [0,1,0,0,0,0|1,0,0]=2 538 B14R1.948 CCCC(C)NCCc1scnc1C 2230a_100000238517_100000766640 [0,1,0,0,0,0|2,0,1]=4 539 B14R1.948 CCCC(C)NCCc1scnc1C 2230a_100000741246_100000057103 [0,1,0,0,0,0|2,0,1]=4 540 B14R1.948 CCCC(C)NCCc1scnc1C 270004a_100000238517_100000211909 [0,1,0,0,0,0|2,0,1]=4 541 B14R1.948 CCCC(C)NCCc1scnc1C 34a_100000238517_100000766640 [0,1,0,0,0,0|2,0,1]=4 542 B14R1.948 CCCC(C)OCCc1scnc1C 34a_100000211055_100000766640 [0,1,0,0,0,0|1,0,1]=3 543 B14R1.948 CCCC(C)OCCc1scnc1C 34a_100000764384_100000057103 [0,1,0,0,0,0|1,0,1]=3 544 B14R1.948 CCCC(C)OCCc1scnc1C 7a_100000211055_100000766640 [0,1,0,0,0,0|1,0,1]=3 545 B14R1.948 CCCC(C)OCCc1scnc1C 7a_100000764384_100000057103 [0,1,0,0,0,0|1,0,1]=3 546 B14R1.948 CCCC(C)SCCc1scnc1C 62a_100000057103_100000766640 [0,1,0,0,0,0|1,1,1]=4 547 B14R1.948 CCCC(C)SCCc1scnc1C 62a_100000766640_100000057103 [0,1,0,0,0,0|1,1,1]=4 548 B14R1.948 CCNC(=O)CCCn1ccnc1C 11a_100015525214_100000748694 [0,1,0,0,0,0|3,0,0]=4 549 B14R1.948 CCNC(=O)CCCn1ccnc1C 240690a_100015525214_100000748694 [0,1,0,0,0,0|3,0,0]=4 550 B14R1.948 CCNC(=O)CCCn1ccnc1C 527a_100015525214_100000748694 [0,1,0,0,0,0|3,0,0]=4 551 B14R1.948 CCNC(=O)CCSc1sccc1C 62a_100000737597_100010247149 [0,1,0,0,0,0|3,0,0]=4 552 B14R1.948 CCNC(=O)CCSc1sccc1C 62a_100010247149_100000737597 [0,1,0,0,0,0|3,0,0]=4 553 B14R1.948 CCNC(=O)CCSc1scnc1C 62a_100000737597_100009817116 [0,1,0,0,0,0|2,0,0]=3 554 B14R1.948 CCNC(=O)CCSc1scnc1C 62a_100009817116_100000737597 [0,1,0,0,0,0|2,0,0]=3 555 B14R1.948 CCNC(=O)CNCc1sccc1C 2230a_100000238519_100000183381 [0,1,0,0,0,0|3,0,0]=4 556 B14R1.948 CCNC(=O)CNCc1sccc1C 270004a_100016988866_100000210881 [0,1,0,0,0,0|3,0,0]=4 557 B14R1.948 CCNC(=O)CNCc1sccc1C 34a_100000238519_100000183381 [0,1,0,0,0,0|3,0,0]=4 558 B14R1.948 CCNC(=O)CNCc1scnc1C 2230a_100000752186_100000183381 [0,1,0,0,0,0|2,0,0]=3 559 B14R1.948 CCNC(=O)CNCc1snnc1C 2230a_100000732738_100000183381 [0,1,0,0,0,0|3,0,0]=4 560 B14R1.948 CCNC(=O)CNCc1snnc1C 2230a_100016988866_100000732739 [0,1,0,0,0,0|3,0,0]=4 561 B14R1.948 CCNC(=O)CNCc1snnc1C 270004a_100016988866_100000732746 [0,1,0,0,0,0|3,0,0]=4 562 B14R1.948 CCNC(=O)COCc1ocnc1C 34a_100000717716_100000183381 [0,1,0,0,0,0|2,1,0]=4 563 B14R1.948 CCNC(=O)COCc1ocnc1C 7a_100000717716_100000183381 [0,1,0,0,0,0|2,1,0]=4 564 B14R1.948 CCNC(=O)COCc1sccc1C 34a_100000238368_100000183381 [0,1,0,0,0,0|3,0,0]=4 565 B14R1.948 CCNC(=O)COCc1sccc1C 7a_100000238368_100000183381 [0,1,0,0,0,0|3,0,0]=4 566 B14R1.948 CCNC(=O)COCc1scnc1Br 7a_100012000948_100000183381 [0,1,0,0,0,0|3,0,0]=4 567 B14R1.948 CCNC(=O)COCc1scnc1C 34a_100000750112_100000183381 [0,1,0,0,0,0|2,0,0]=3 568 B14R1.948 CCNC(=O)COCc1scnc1C 7a_100000750112_100000183381 [0,1,0,0,0,0|2,0,0]=3 569 B14R1.948 CCNC(=O)CSCc1snnc1C 62a_100000183381_100000732739 [0,1,0,0,0,0|3,0,0]=4 570 B14R1.948 CCNC(=O)CSCc1snnc1C 62a_100000732739_100000183381 [0,1,0,0,0,0|3,0,0]=4 571 B14R1.948 CCNC(=O)NCCc1ncnn1C 2708a_100000686402_100015525214 [0,1,0,0,0,0|3,0,0]=4 572 B14R1.948 CCNC(=O)NCCc1ncnn1C 2708a_100015525214_100000686402 [0,1,0,0,0,0|3,0,0]=4 573 B14R1.948 CCNC(=O)NCCc1ncnn1C 273464a_100000686402_100015525214 [0,1,0,0,0,0|3,0,0]=4 574 B14R1.948 CCNC(=O)NCCc1ncnn1C 273464a_100015525214_100000686402 [0,1,0,0,0,0|3,0,0]=4 575 B14R1.948 CCNC(=O)NCCc1ncnn1C 512a_100000686402_100015525214 [0,1,0,0,0,0|3,0,0]=4 576 B14R1.948 CCNC(=O)NCCc1ncnn1C 512a_100015525214_100000686402 [0,1,0,0,0,0|3,0,0]=4 577 B14R1.948 CCNC(=O)NCCc1scnc1C 2708a_100000238517_100015525214 [0,1,0,0,0,0|1,0,0]=2 578 B14R1.948 CCNC(=O)NCCc1scnc1C 2708a_100015525214_100000238517 [0,1,0,0,0,0|1,0,0]=2 579 B14R1.948 CCNC(=O)NCCc1scnc1C 273464a_100000238517_100015525214 [0,1,0,0,0,0|1,0,0]=2 580 B14R1.948 CCNC(=O)NCCc1scnc1C 273464a_100015525214_100000238517 [0,1,0,0,0,0|1,0,0]=2 581 B14R1.948 CCNC(=O)NCCc1scnc1C 512a_100000238517_100015525214 [0,1,0,0,0,0|1,0,0]=2 582 B14R1.948 CCNC(=O)NCCc1scnc1C 512a_100015525214_100000238517 [0,1,0,0,0,0|1,0,0]=2 583 B14R1.948 CCNC(=O)NCCn1ccnc1C 2708a_100015184736_100015525214 [0,1,0,0,0,0|3,0,0]=4 584 B14R1.948 CCNC(=O)NCCn1ccnc1C 2708a_100015525214_100015184736 [0,1,0,0,0,0|3,0,0]=4 585 B14R1.948 CCNC(=O)NCCn1ccnc1C 273464a_100015184736_100015525214 [0,1,0,0,0,0|3,0,0]=4 586 B14R1.948 CCNC(=O)NCCn1ccnc1C 273464a_100015525214_100015184736 [0,1,0,0,0,0|3,0,0]=4 587 B14R1.948 CCNC(=O)NCCn1ccnc1C 512a_100015184736_100015525214 [0,1,0,0,0,0|3,0,0]=4 588 B14R1.948 CCNC(=O)NCCn1ccnc1C 512a_100015525214_100015184736 [0,1,0,0,0,0|3,0,0]=4 589 B14R1.948 CCOC(=O)CCSc1sccc1C 62a_100000765890_100010247149 [0,1,0,0,0,0|3,0,0]=4 590 B14R1.948 CCOC(=O)CCSc1sccc1C 62a_100010247149_100000765890 [0,1,0,0,0,0|3,0,0]=4 591 B14R1.948 CCOC(=O)CCSc1scnc1C 62a_100000765890_100009817116 [0,1,0,0,0,0|2,0,0]=3 592 B14R1.948 CCOC(=O)CCSc1scnc1C 62a_100009817116_100000765890 [0,1,0,0,0,0|2,0,0]=3 593 B14R1.948 CCOC(=O)CNCc1sccc1C 2230a_100000238519_100000188475 [0,1,0,0,0,0|3,0,0]=4 594 B14R1.948 CCOC(=O)CNCc1sccc1C 34a_100000238519_100000188475 [0,1,0,0,0,0|3,0,0]=4 595 B14R1.948 CCOC(=O)CNCc1scnc1C 2230a_100000752186_100000188475 [0,1,0,0,0,0|2,0,0]=3 596 B14R1.948 CCOC(=O)CNCc1snnc1C 2230a_100000732738_100000188475 [0,1,0,0,0,0|3,0,0]=4 597 B14R1.948 CCOC(=O)COCc1ocnc1C 34a_100000717716_100000188475 [0,1,0,0,0,0|2,1,0]=4 598 B14R1.948 CCOC(=O)COCc1ocnc1C 7a_100000717716_100000188475 [0,1,0,0,0,0|2,1,0]=4 599 B14R1.948 CCOC(=O)COCc1sccc1C 34a_100000238368_100000188475 [0,1,0,0,0,0|3,0,0]=4 600 B14R1.948 CCOC(=O)COCc1sccc1C 7a_100000238368_100000188475 [0,1,0,0,0,0|3,0,0]=4 601 B14R1.948 CCOC(=O)COCc1scnc1Br 7a_100012000948_100000188475 [0,1,0,0,0,0|3,0,0]=4 602 B14R1.948 CCOC(=O)COCc1scnc1C 34a_100000750112_100000188475 [0,1,0,0,0,0|2,0,0]=3 603 B14R1.948 CCOC(=O)COCc1scnc1C 7a_100000750112_100000188475 [0,1,0,0,0,0|2,0,0]=3 604 B14R1.948 CCOC(=O)CSCc1snnc1C 62a_100000188475_100000732739 [0,1,0,0,0,0|3,0,0]=4 605 B14R1.948 CCOC(=O)CSCc1snnc1C 62a_100000732739_100000188475 [0,1,0,0,0,0|3,0,0]=4 606 B14R1.948 CCOC(=O)OCSc1[nH]cnc1Cl 62a_100010200774_100000075025 [0,1,0,0,0,0|3,0,0]=4 607 B14R1.948 CCOC(=O)OCSc1c[nH]nc1C 62a_100000692133_100000075025 [0,1,0,0,0,0|3,0,0]=4 608 B14R1.948 CCOC(=O)OCSc1ccnn1C 62a_100000688441_100000075025 [0,1,0,0,0,0|3,0,0]=4 609 B14R1.948 CCOC(=O)OCSc1ccsc1C 62a_100000684487_100000075025 [0,1,0,0,0,0|3,0,0]=4 610 B14R1.948 CCOC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000075025 [0,1,0,0,0,0|2,0,1]=4 611 B14R1.948 CCOC(=O)OCSc1ncnn1C 62a_100000732653_100000075025 [0,1,0,0,0,0|3,0,0]=4 612 B14R1.948 CCOC(=O)OCSc1ncsc1C 62a_100000732656_100000075025 [0,1,0,0,0,0|3,0,0]=4 613 B14R1.948 CCOC(=O)OCSc1sccc1Br 62a_100012361411_100000075025 [0,1,0,0,0,0|3,0,0]=4 614 B14R1.948 CCOC(=O)OCSc1sccc1C 62a_100010247149_100000075025 [0,1,0,0,0,0|2,0,0]=3 615 B14R1.948 CCOC(=O)OCSc1scnc1C 62a_100009817116_100000075025 [0,1,0,0,0,0|1,0,0]=2 616 B14R1.948 CNNC(=O)NCCc1scnc1C 273464a_100000238517_100016993582 [0,1,0,0,0,0|2,0,0]=3 617 B14R1.948 CNNC(=O)NCCc1scnc1C 512a_100000238517_100016993582 [0,1,0,0,0,0|2,0,0]=3 618 B14R1.948 CNNC(=O)NCCc1scnc1C 512a_100016993582_100000238517 [0,1,0,0,0,0|2,0,0]=3 619 B14R1.948 COCC(=O)CCCn1ccnc1C 1458a_100000210968_100000690325 [0,1,0,0,0,0|3,0,0]=4 620 B14R1.948 COCC(=O)NCCc1ncnn1C 11a_100000686402_100000210968 [0,1,0,0,0,0|3,0,0]=4 621 B14R1.948 COCC(=O)NCCc1ncnn1C 240690a_100000686402_100000210968 [0,1,0,0,0,0|3,0,0]=4 622 B14R1.948 COCC(=O)NCCc1ncnn1C 527a_100000686402_100000210968 [0,1,0,0,0,0|3,0,0]=4 623 B14R1.948 COCC(=O)NCCc1scnc1C 11a_100000238517_100000210968 [0,1,0,0,0,0|1,0,0]=2 624 B14R1.948 COCC(=O)NCCc1scnc1C 1626a_100000238517_100000210968 [0,1,0,0,0,0|1,0,0]=2 625 B14R1.948 COCC(=O)NCCc1scnc1C 240690a_100000238517_100000210968 [0,1,0,0,0,0|1,0,0]=2 626 B14R1.948 COCC(=O)NCCc1scnc1C 527a_100000238517_100000210968 [0,1,0,0,0,0|1,0,0]=2 627 B14R1.948 COCC(=O)NCCn1ccnc1C 11a_100015184736_100000210968 [0,1,0,0,0,0|3,0,0]=4 628 B14R1.948 COCC(=O)NCCn1ccnc1C 1626a_100015184736_100000210968 [0,1,0,0,0,0|3,0,0]=4 629 B14R1.948 COCC(=O)NCCn1ccnc1C 240690a_100015184736_100000210968 [0,1,0,0,0,0|3,0,0]=4 630 B14R1.948 COCC(=O)NCCn1ccnc1C 527a_100015184736_100000210968 [0,1,0,0,0,0|3,0,0]=4 631 B14R1.948 COCC(=O)NN=Cc1scnc1C 4a_100000216845_100000764165 [0,1,0,0,0,0|2,0,1]=4 632 B14R1.948 COCC(C)NCCc1scnc1C 2230a_100000238517_100000765312 [0,1,0,0,0,0|2,0,1]=4 633 B14R1.948 COCC(C)NCCc1scnc1C 270004a_100000238517_100000749346 [0,1,0,0,0,0|2,0,1]=4 634 B14R1.948 COCC(C)NCCc1scnc1C 34a_100000238517_100000765312 [0,1,0,0,0,0|2,0,1]=4 635 B14R1.948 COCC(C)OCCc1scnc1C 34a_100000211055_100000765312 [0,1,0,0,0,0|1,0,1]=3 636 B14R1.948 COCC(C)OCCc1scnc1C 7a_100000211055_100000765312 [0,1,0,0,0,0|1,0,1]=3 637 B14R1.948 COCC(C)SCCc1scnc1C 62a_100000057103_100000765312 [0,1,0,0,0,0|1,1,1]=4 638 B14R1.948 COCC(C)SCCc1scnc1C 62a_100000765312_100000057103 [0,1,0,0,0,0|1,1,1]=4 639 B14R1.948 COC[C@@H](C)NCCc1scnc1C 2230a_100000764878_100000057103 [0,1,0,0,0,0|2,0,1]=4 640 B14R1.948 COC[C@@H](C)OCCc1scnc1C 34a_100011934205_100000057103 [0,1,0,0,0,0|1,0,1]=3 641 B14R1.948 CSCC(=O)CCCn1ccnc1C 1458a_100000184570_100000690325 [0,1,0,0,0,0|3,0,0]=4 642 B14R1.948 CSCC(=O)NCCc1ncnn1C 11a_100000686402_100000184570 [0,1,0,0,0,0|3,0,0]=4 643 B14R1.948 CSCC(=O)NCCc1ncnn1C 240690a_100000686402_100000184570 [0,1,0,0,0,0|3,0,0]=4 644 B14R1.948 CSCC(=O)NCCc1ncnn1C 527a_100000686402_100000184570 [0,1,0,0,0,0|3,0,0]=4 645 B14R1.948 CSCC(=O)NCCc1scnc1C 11a_100000238517_100000184570 [0,1,0,0,0,0|1,0,0]=2 646 B14R1.948 CSCC(=O)NCCc1scnc1C 1626a_100000238517_100000184570 [0,1,0,0,0,0|1,0,0]=2 647 B14R1.948 CSCC(=O)NCCc1scnc1C 240690a_100000238517_100000184570 [0,1,0,0,0,0|1,0,0]=2 648 B14R1.948 CSCC(=O)NCCc1scnc1C 527a_100000238517_100000184570 [0,1,0,0,0,0|1,0,0]=2 649 B14R1.948 CSCC(=O)NCCn1ccnc1C 11a_100015184736_100000184570 [0,1,0,0,0,0|3,0,0]=4 650 B14R1.948 CSCC(=O)NCCn1ccnc1C 1626a_100015184736_100000184570 [0,1,0,0,0,0|3,0,0]=4 651 B14R1.948 CSCC(=O)NCCn1ccnc1C 240690a_100015184736_100000184570 [0,1,0,0,0,0|3,0,0]=4 652 B14R1.948 CSCC(=O)NCCn1ccnc1C 527a_100015184736_100000184570 [0,1,0,0,0,0|3,0,0]=4 653 B14R1.948 CSCC(C)NCCc1scnc1C 270004a_100000238517_100011216314 [0,1,0,0,0,0|2,0,1]=4 654 B14R1.948 Cc1nccn1CCCC(=O)CCF 1458a_100000748694_100011217306 [0,1,0,0,0,0|3,0,0]=4 655 B14R1.948 Cc1nccn1CCCC(=O)CCO 1458a_100000748694_100000211926 [0,1,0,0,0,0|3,0,0]=4 656 B14R1.948 Cc1nccn1CCCC(=O)CCO 1458a_100011216618_100000690325 [0,1,0,0,0,0|3,0,0]=4 657 B14R1.948 Cc1nccn1CCNC(=O)CCO 240690a_100015184736_100011216618 [0,1,0,0,0,0|3,0,0]=4 658 B14R1.948 Cc1ncsc1CCNC(=O)C=CBr 1626a_100000238517_100016273825 [0,1,0,0,0,0|1,0,2]=4 659 B14R1.948 Cc1ncsc1CCNC(=O)C=CBr 240690a_100000238517_100016273825 [0,1,0,0,0,0|1,0,2]=4 660 B14R1.948 Cc1ncsc1CCNC(=O)C=CCl 11a_100000238517_200016279998 [0,1,0,0,0,0|1,0,2]=4 661 B14R1.948 Cc1ncsc1CCNC(=O)C=CCl 1626a_100000238517_200016279998 [0,1,0,0,0,0|1,0,2]=4 662 B14R1.948 Cc1ncsc1CCNC(=O)C=CCl 240690a_100000238517_200016279998 [0,1,0,0,0,0|1,0,2]=4 663 B14R1.948 Cc1ncsc1CCNC(=O)C=CI 1626a_100000238517_100016256311 [0,1,0,0,0,0|1,0,2]=4 664 B14R1.948 Cc1ncsc1CCNC(=O)CC#N 1626a_100000238517_100051588842 [0,1,0,0,0,0|1,0,1]=3 665 B14R1.948 Cc1ncsc1CCNC(=O)CC#N 240690a_100000238517_100051588842 [0,1,0,0,0,0|1,0,1]=3 666 B14R1.948 Cc1ncsc1CCNC(=O)CCO 240690a_100000238517_100011216618 [0,1,0,0,0,0|1,0,0]=2 667 B14R1.948 Cc1ncsc1CCNC(C)CCO 2230a_100000238517_100009893172 [0,1,0,0,0,0|2,0,1]=4 668 B14R1.948 Cc1ncsc1CCNC(C)CCO 34a_100000238517_100009893172 [0,1,0,0,0,0|2,0,1]=4 669 B14R1.948 Cc1ncsc1CCN[C@H](C)CCO 2230a_100000706166_100000057103 [0,1,0,0,0,0|2,0,1]=4 670 B14R1.948 Cc1ncsc1CCN[C@H](C)CCO 34a_100000706166_100000057103 [0,1,0,0,0,0|2,0,1]=4 671 B14R1.948 Cc1ncsc1CCOC(C)CC#N 7a_100000211055_100009813641 [0,1,0,0,0,0|1,0,2]=4 672 B14R1.948 Cc1ncsc1CCOC(C)CCBr 34a_100012276601_100000057103 [0,1,0,0,0,0|1,0,1]=3 673 B14R1.948 Cc1ncsc1CCOC(C)CCO 34a_100000211055_100009893172 [0,1,0,0,0,0|1,0,1]=3 674 B14R1.948 Cc1ncsc1CCOC(C)CCO 7a_100000211055_100009893172 [0,1,0,0,0,0|1,0,1]=3 675 B14R1.948 Cc1ncsc1CCSC(C)CCO 62a_100000057103_100009893172 [0,1,0,0,0,0|1,1,1]=4 676 B14R1.948 Cc1ncsc1CCSC(C)CCO 62a_100009893172_100000057103 [0,1,0,0,0,0|1,1,1]=4 677 B14R1.948 Cc1ncsc1CNCC(=O)NCO 2230a_100000752186_100000185155 [0,1,0,0,0,0|3,0,0]=4 678 B14R1.948 Cc1ncsc1COCC(=O)NCO 34a_100000750112_100000185155 [0,1,0,0,0,0|3,0,0]=4 679 B14R1.948 Cc1ncsc1COCC(=O)NCO 7a_100000750112_100000185155 [0,1,0,0,0,0|3,0,0]=4 680 B14R1.948 Cn1ncnc1CCNC(=O)CCO 240690a_100000686402_100011216618 [0,1,0,0,0,0|3,0,0]=4 681 B14R1.987 C/C=C(\C)/C(=O)CCc1scnc1C 1458a_100020587367_100000057103 [0,1,0,0,0,0|2,0,1]=4 682 B14R1.987 C=C(CSc1scnc1C)C(=O)OC 62a_100009813391_100009817116 [0,1,0,0,0,0|3,0,0]=4 683 B14R1.987 C=C(CSc1scnc1C)C(=O)OC 62a_100009817116_100009813391 [0,1,0,0,0,0|3,0,0]=4 684 B14R1.987 C=CC(=O)N(C)CCc1scnc1C 1626a_100025748334_100000185746 [0,1,0,0,0,0|1,0,2]=4 685 B14R1.987 C=CC(=O)N(C)CCc1scnc1C 240690a_100025748334_200121576911 [0,1,0,0,0,0|1,0,2]=4 686 B14R1.987 CCC(=O)C(C)NCc1sccc1C 2230a_100000238519_100000742827 [0,1,0,0,0,0|3,0,0]=4 687 B14R1.987 CCC(=O)C(C)NCc1scnc1C 2230a_100000752186_100000742827 [0,1,0,0,0,0|2,0,0]=3 688 B14R1.987 CCC(=O)C(C)NCc1snnc1C 2230a_100000732738_100000742827 [0,1,0,0,0,0|3,0,0]=4 689 B14R1.987 CCC(=O)C(C)OCc1ocnc1C 7a_100000717716_100000742827 [0,1,0,0,0,0|2,1,0]=4 690 B14R1.987 CCC(=O)C(C)OCc1sccc1C 7a_100000238368_100000742827 [0,1,0,0,0,0|3,0,0]=4 691 B14R1.987 CCC(=O)C(C)OCc1scnc1Br 7a_100012000948_100000742827 [0,1,0,0,0,0|3,0,0]=4 692 B14R1.987 CCC(=O)C(C)OCc1scnc1C 7a_100000750112_100000742827 [0,1,0,0,0,0|2,0,0]=3 693 B14R1.987 CCC(=O)C(C)SCc1snnc1C 62a_100000732739_100000742827 [0,1,0,0,0,0|3,0,0]=4 694 B14R1.987 CCC(=O)C(C)SCc1snnc1C 62a_100000742827_100000732739 [0,1,0,0,0,0|3,0,0]=4 695 B14R1.987 CCC(=O)N(C)CCc1scnc1C 11a_100025748334_100000210414 [0,1,0,0,0,0|1,0,0]=2 696 B14R1.987 CCC(=O)N(C)CCc1scnc1C 1626a_100025748334_100000210414 [0,1,0,0,0,0|1,0,0]=2 697 B14R1.987 CCC(=O)N(C)CCc1scnc1C 240690a_100025748334_100000210414 [0,1,0,0,0,0|1,0,0]=2 698 B14R1.987 CCC(=O)N(C)CCc1scnc1C 527a_100025748334_100000210414 [0,1,0,0,0,0|1,0,0]=2 699 B14R1.987 CCC(=O)N(C)CCn1ccnc1C 11a_103624766747_100000210414 [0,1,0,0,0,0|3,0,0]=4 700 B14R1.987 CCC(=O)N(C)CCn1ccnc1C 1626a_103624766747_100000210414 [0,1,0,0,0,0|3,0,0]=4 701 B14R1.987 CCC(=O)N(C)CCn1ccnc1C 240690a_103624766747_100000210414 [0,1,0,0,0,0|3,0,0]=4 702 B14R1.987 CCC(=O)N(C)CCn1ccnc1C 527a_103624766747_100000210414 [0,1,0,0,0,0|3,0,0]=4 703 B14R1.987 CCC(C)C(=O)CCc1scnc1C 1458a_100011192722_100000057103 [0,1,0,0,0,0|2,0,1]=4 704 B14R1.987 CCC(C)C(=O)CCc1scnc1C 1458a_100011934404_100000758301 [0,1,0,0,0,0|2,0,1]=4 705 B14R1.987 CCC(C)N(C)CCc1scnc1C 2230a_100000741768_100000057103 [0,1,0,0,0,0|2,0,1]=4 706 B14R1.987 CCC(C)N(C)CCc1scnc1C 2230a_100025748334_100000758301 [0,1,0,0,0,0|2,0,1]=4 707 B14R1.987 CCC(C)N(C)CCc1scnc1C 269982a_100000741768_100000057103 [0,1,0,0,0,0|2,0,1]=4 708 B14R1.987 CCC(C)N(C)CCc1scnc1C 269982a_100025748334_100000758301 [0,1,0,0,0,0|2,0,1]=4 709 B14R1.987 CCC(O)C(=O)CCc1scnc1C 1458a_100011196387_100000057103 [0,1,0,0,0,0|1,0,2]=4 710 B14R1.987 CCN(C)C(=O)CCc1scnc1C 11a_100000225621_100011934404 [0,1,0,0,0,0|3,0,0]=4 711 B14R1.987 CCN(C)C(=O)CCc1scnc1C 1626a_100000225621_100011934404 [0,1,0,0,0,0|3,0,0]=4 712 B14R1.987 CCN(C)C(=O)CCc1scnc1C 240690a_100000225621_100011934404 [0,1,0,0,0,0|3,0,0]=4 713 B14R1.987 CCN(C)C(=O)CCc1scnc1C 527a_100000225621_100011934404 [0,1,0,0,0,0|3,0,0]=4 714 B14R1.987 CNC(=O)C(=O)CCc1scnc1C 1458a_100011218921_100000057103 [0,1,0,0,0,0|2,0,0]=3 715 B14R1.987 CNC(=O)C(=O)NCc1scnc1C 1626a_100000752186_100011218921 [0,1,0,0,0,0|3,0,0]=4 716 B14R1.987 CNC(=O)C(=O)NCc1scnc1C 240690a_100000752186_100011218921 [0,1,0,0,0,0|3,0,0]=4 717 B14R1.987 CNC(=O)C(=O)NCc1scnc1C 527a_100000752186_100011218921 [0,1,0,0,0,0|3,0,0]=4 718 B14R1.987 CNC(=O)C(C)NCc1scnc1C 2230a_100000752186_100000731044 [0,1,0,0,0,0|3,0,0]=4 719 B14R1.987 CNC(=O)C(C)OCc1scnc1C 34a_100000750112_100000731044 [0,1,0,0,0,0|3,0,0]=4 720 B14R1.987 CNC(=O)C(C)OCc1scnc1C 7a_100000750112_100000209862 [0,1,0,0,0,0|3,0,0]=4 721 B14R1.987 CNC(=O)C(F)NCc1scnc1C 2230a_100000752186_100009813575 [0,1,0,0,0,0|3,0,0]=4 722 B14R1.987 CNC(=O)C(F)OCc1scnc1C 34a_100000750112_100009813575 [0,1,0,0,0,0|3,0,0]=4 723 B14R1.987 CNC(=O)C(F)OCc1scnc1C 7a_100000750112_100009813575 [0,1,0,0,0,0|3,0,0]=4 724 B14R1.987 CNC(=O)N(C)CCc1scnc1C 2708a_100102657272_100025748334 [0,1,0,0,0,0|2,0,0]=3 725 B14R1.987 CNC(=O)N(C)CCc1scnc1C 273464a_100102657272_100025748334 [0,1,0,0,0,0|2,0,0]=3 726 B14R1.987 COC(=O)C(=O)CSc1scnc1C 62a_100009817116_100011610305 [0,1,0,0,0,0|3,0,0]=4 727 B14R1.987 COC(=O)C(=O)CSc1scnc1C 62a_100011610305_100009817116 [0,1,0,0,0,0|3,0,0]=4 728 B14R1.987 COC(=O)C(=O)NCc1scnc1C 11a_100000752186_100000024059 [0,1,0,0,0,0|3,0,0]=4 729 B14R1.987 COC(=O)C(=O)NCc1scnc1C 1626a_100000752186_100000024059 [0,1,0,0,0,0|3,0,0]=4 730 B14R1.987 COC(=O)C(=O)NCc1scnc1C 240690a_100000752186_100000024059 [0,1,0,0,0,0|3,0,0]=4 731 B14R1.987 COC(=O)C(=O)NCc1scnc1C 527a_100000752186_100000024059 [0,1,0,0,0,0|3,0,0]=4 732 B14R1.987 COC(=O)C(C)CSc1scnc1C 62a_100000698445_100009817116 [0,1,0,0,0,0|3,0,0]=4 733 B14R1.987 COC(=O)C(C)CSc1scnc1C 62a_100009817116_100000698445 [0,1,0,0,0,0|3,0,0]=4 734 B14R1.987 COC(=O)C(C)NCc1scnc1C 2230a_100000752186_100000211248 [0,1,0,0,0,0|3,0,0]=4 735 B14R1.987 COC(=O)C(C)OCc1scnc1C 34a_100000750112_100000211248 [0,1,0,0,0,0|3,0,0]=4 736 B14R1.987 COC(=O)C(C)OCc1scnc1C 7a_100000750112_100000211248 [0,1,0,0,0,0|3,0,0]=4 737 B14R1.987 Cc1ncsc1CCN(C)C(=O)CO 240690a_100025748334_100000210174 [0,1,0,0,0,0|2,0,0]=3 738 B14R1.987 Cc1ncsc1CCN(C)C(=O)CO 527a_100025748334_100000210174 [0,1,0,0,0,0|2,0,0]=3 739 B14R1.1521 CCC(C)OCCc1sc[n+](c1C)C 34a_100000085727_100011215416 [0,1,0,0,0,0|1,0,2]=4 740 B14R1.1521 CCC(C)OCCc1sc[n+](c1C)C 7a_100000085727_100000758301 [0,1,0,0,0,0|1,0,2]=4 741 B14R1.2971 CCC(=O)COCc1sc(nc1Br)Br 7a_100010218989_100000747405 [0,1,0,0,0,0|3,0,0]=4 742 B14R1.2971 CCC(=O)COCc1sc(nc1Br)C 34a_100000725409_100015664652 [0,1,0,0,0,0|3,0,0]=4 743 B14R1.2971 CCC(=O)COCc1sc(nc1C)Br 7a_100010264302_100000747405 [0,1,0,0,0,0|2,0,0]=3 744 B14R1.2971 CCC(=O)COCc1sc(nc1C)C 34a_100000725409_100000760948 [0,1,0,0,0,0|2,0,0]=3 745 B14R1.2971 CCC(=O)COCc1sc(nc1C)C 7a_100000750043_100000747405 [0,1,0,0,0,0|2,0,0]=3 746 B14R1.2971 CCC(=O)COCc1sc(nc1Cl)Cl 7a_100000721200_100000747405 [0,1,0,0,0,0|3,0,0]=4 747 B14R1.2971 CCC(=O)CSCc1sc(nc1Br)C 62a_100000747405_100015664652 [0,1,0,0,0,0|3,0,0]=4 748 B14R1.2971 CCC(=O)CSCc1sc(nc1Br)C 62a_100015664652_100000747405 [0,1,0,0,0,0|3,0,0]=4 749 B14R1.2971 CCC(=O)CSCc1sc(nc1C)C 62a_100000747405_100000760948 [0,1,0,0,0,0|2,0,0]=3 750 B14R1.2971 CCC(=O)CSCc1sc(nc1C)C 62a_100000760948_100000747405 [0,1,0,0,0,0|2,0,0]=3 751 B14R1.2971 CCC(=O)NCCn1nc(nc1C)C 11a_100132313891_100000210414 [0,1,0,0,0,0|3,0,0]=4 752 B14R1.2971 CCC(=O)NCCn1nc(nc1C)C 1626a_100132313891_100000210414 [0,1,0,0,0,0|3,0,0]=4 753 B14R1.2971 CCC(=O)NCCn1nc(nc1C)C 240690a_100132313891_100000210414 [0,1,0,0,0,0|3,0,0]=4 754 B14R1.2971 CCC(=O)NCCn1nc(nc1C)C 527a_100132313891_100000210414 [0,1,0,0,0,0|3,0,0]=4 755 B14R1.2971 CCC(=O)NN=Cc1sc(nc1C)Br 4a_100000183195_100010339034 [0,1,0,0,0,0|2,0,1]=4 756 B14R1.2971 CCC(=O)NN=Cc1sc(nc1C)C 4a_100000183195_100000757988 [0,1,0,0,0,0|2,0,1]=4 757 B14R1.2971 CNC(=O)CCSc1sc(nc1C)C 62a_100000737683_100009814099 [0,1,0,0,0,0|3,0,0]=4 758 B14R1.2971 CNC(=O)CCSc1sc(nc1C)C 62a_100009814099_100000737683 [0,1,0,0,0,0|3,0,0]=4 759 B14R1.2971 CNC(=O)CCSc1sc(nc1C)N 62a_100000737683_100159269596 [0,1,0,0,0,0|3,0,0]=4 760 B14R1.2971 CNC(=O)CCSc1sc(nc1C)N 62a_100159269596_100000737683 [0,1,0,0,0,0|3,0,0]=4 761 B14R1.2971 CNC(=O)CNCc1sc(nc1C)C 207a_100000693194_100000757988 [0,1,0,0,0,0|3,0,0]=4 762 B14R1.2971 CNC(=O)CNCc1sc(nc1C)C 2230a_100000693194_100000760948 [0,1,0,0,0,0|3,0,0]=4 763 B14R1.2971 CNC(=O)CNCc1sc(nc1C)C 2230a_100000761763_100000183359 [0,1,0,0,0,0|3,0,0]=4 764 B14R1.2971 CNC(=O)COCc1sc(nc1C)Br 7a_100010264302_100000183359 [0,1,0,0,0,0|3,0,0]=4 765 B14R1.2971 CNC(=O)COCc1sc(nc1C)C 34a_100000750040_100000760948 [0,1,0,0,0,0|3,0,0]=4 766 B14R1.2971 CNC(=O)COCc1sc(nc1C)C 34a_100000750043_100000183359 [0,1,0,0,0,0|3,0,0]=4 767 B14R1.2971 CNC(=O)COCc1sc(nc1C)C 7a_100000750043_100000183359 [0,1,0,0,0,0|3,0,0]=4 768 B14R1.2971 CNC(=O)CSCc1sc(nc1C)C 62a_100000183359_100000760948 [0,1,0,0,0,0|3,0,0]=4 769 B14R1.2971 CNC(=O)CSCc1sc(nc1C)C 62a_100000760948_100000183359 [0,1,0,0,0,0|3,0,0]=4 770 B14R1.2971 COC(=O)CCSc1sc(nc1C)C 62a_100000204255_100009814099 [0,1,0,0,0,0|3,0,0]=4 771 B14R1.2971 COC(=O)CCSc1sc(nc1C)C 62a_100009814099_100000204255 [0,1,0,0,0,0|3,0,0]=4 772 B14R1.2971 COC(=O)CCSc1sc(nc1C)N 62a_100000204255_100159269596 [0,1,0,0,0,0|3,0,0]=4 773 B14R1.2971 COC(=O)CCSc1sc(nc1C)N 62a_100159269596_100000204255 [0,1,0,0,0,0|3,0,0]=4 774 B14R1.2971 COC(=O)CNCc1sc(nc1C)C 2230a_100000761763_100000747449 [0,1,0,0,0,0|3,0,0]=4 775 B14R1.2971 COC(=O)COCc1sc(nc1C)Br 7a_100010264302_100000747449 [0,1,0,0,0,0|3,0,0]=4 776 B14R1.2971 COC(=O)COCc1sc(nc1C)C 34a_100000750043_100000747449 [0,1,0,0,0,0|3,0,0]=4 777 B14R1.2971 COC(=O)COCc1sc(nc1C)C 7a_100000750043_100000747449 [0,1,0,0,0,0|3,0,0]=4 778 B14R1.2971 COC(=O)CSCc1sc(nc1C)C 62a_100000747449_100000760948 [0,1,0,0,0,0|3,0,0]=4 779 B14R1.2971 COC(=O)CSCc1sc(nc1C)C 62a_100000760948_100000747449 [0,1,0,0,0,0|3,0,0]=4 780 B14R1.2971 COC(=O)OCSc1sc(cc1C)C 62a_100000689295_100000139417 [0,1,0,0,0,0|3,0,0]=4 781 B14R1.2971 COC(=O)OCSc1sc(nc1C)C 62a_100009814099_100000139417 [0,1,0,0,0,0|2,0,0]=3 782 B14R1.2971 COC(=O)OCSc1sc(nc1C)N 62a_100159269596_100000139417 [0,1,0,0,0,0|2,0,0]=3 783 B14R1.4389 C#CC(CC)OCCc1scnc1C 34a_100000758843_100000057103 [0,1,0,0,0,0|1,0,1]=3 784 B14R1.4389 C#CC(CC)OCCc1scnc1C 7a_100000758843_100000057103 [0,1,0,0,0,0|1,0,1]=3 785 B14R1.4389 C=CC(CC)OCCc1scnc1C 34a_100000766422_100000057103 [0,1,0,0,0,0|1,0,1]=3 786 B14R1.4389 C=CC(CC)OCCc1scnc1C 7a_100000766422_100000057103 [0,1,0,0,0,0|1,0,1]=3 787 B14R1.4389 CCC(CC)NCCc1scnc1C 2230a_100000199018_100000057103 [0,1,0,0,0,0|2,0,1]=4 788 B14R1.4389 CCC(CC)NCCc1scnc1C 270004a_100000238517_100000210860 [0,1,0,0,0,0|2,0,1]=4 789 B14R1.4389 CCC(CC)OCCc1scnc1C 7a_100000211055_100000210505 [0,1,0,0,0,0|1,0,1]=3 790 B14R1.4389 CCC(CC)OCCc1scnc1C 7a_100000688536_100000057103 [0,1,0,0,0,0|1,0,1]=3 791 B14R1.4389 CCC(CC)SCCc1scnc1C 62a_100000057103_100000210505 [0,1,0,0,0,0|1,1,1]=4 792 B14R1.4389 CCC(CC)SCCc1scnc1C 62a_100000210505_100000057103 [0,1,0,0,0,0|1,1,1]=4 793 B14R1.4389 CC[C@@H](CO)NCCc1scnc1C 2230a_100000709445_100000057103 [0,1,0,0,0,0|1,0,2]=4 794 B14R1.4389 Cc1ncsc1CCOC(C=O)C=O 34a_100000211055_100000736813 [0,1,0,0,0,0|1,0,2]=4 795 B14R1.4389 Cc1ncsc1CCOC(CCl)CCl 7a_100000737055_100000057103 [0,1,0,0,0,0|2,0,1]=4 796 B14R1.4389 Cc1ncsc1CCOC(CF)CF 34a_100000032261_100000057103 [0,1,0,0,0,0|2,0,1]=4 797 B14R1.4389 Cc1ncsc1CCOC(CF)CF 7a_100000032261_100000057103 [0,1,0,0,0,0|2,0,1]=4 798 B14R1.4389 Cc1ncsc1CCOC(CN)CN 34a_100000031598_100000057103 [0,1,0,0,0,0|2,0,1]=4 799 B14R1.4389 Cc1ncsc1CCO[C@@H](CF)CCl 34a_100015614560_100000057103 [0,1,0,0,0,0|2,0,1]=4 800 B14R1.4389 Cc1ncsc1CCO[C@@H](CF)CCl 7a_100015614560_100000057103 [0,1,0,0,0,0|2,0,1]=4 801 B14R1.4461 CCC(=O)NN=C(C)c1scnc1C 4a_100000183195_100000738886 [0,1,0,0,0,0|2,0,1]=4 802 B14R1.5604 CCC(C)(C)NCCc1scnc1C 2230a_100000211385_100000057103 [0,1,0,0,0,0|2,0,1]=4 803 B14R1.5604 CCC(C)(C)OCCc1scnc1C 7a_100000210230_100000057103 [0,1,0,0,0,0|1,0,1]=3 804 B14R1.5604 CCC(C)(C)OCCc1scnc1C 7a_100000211055_100000210677 [0,1,0,0,0,0|1,0,1]=3 805 B14R1.5604 CCC(C)(C)SCCc1scnc1C 62a_100000032637_100000057103 [0,1,0,0,0,0|1,1,1]=4 806 B14R1.5604 CCC(C)(C)SCCc1scnc1C 62a_100000057103_100000032637 [0,1,0,0,0,0|1,1,1]=4 807 B14R1.5604 CCS(=O)(=O)CCSc1scnc1C 62a_100000756660_100009817116 [0,1,0,0,0,0|3,0,0]=4 808 B14R1.5604 CCS(=O)(=O)CCSc1scnc1C 62a_100009817116_100000756660 [0,1,0,0,0,0|3,0,0]=4 809 B14R1.5604 CCS(=O)(=O)NCCc1scnc1C 270084a_100000238517_100000211323 [0,1,0,0,0,0|2,0,0]=3 810 B14R1.5604 CCS(=O)(=O)NCCc1scnc1C 274078a_100000238517_100000211323 [0,1,0,0,0,0|2,0,0]=3 811 B14R1.5604 CCS(=O)(=O)NCCc1scnc1C 40a_100000238517_100000053943 [0,1,0,0,0,0|2,0,0]=3 812 B14R1.5604 Cc1ncsc1CCNS(=O)(=O)CCl 270084a_100000238517_100000031410 [0,1,0,0,0,0|3,0,0]=4 813 B14R1.5604 Cc1ncsc1CCNS(=O)(=O)CCl 274078a_100000238517_100000031410 [0,1,0,0,0,0|3,0,0]=4 814 B14R1.5604 Cc1ncsc1CCOC(C)(C)CCl 7a_100000764493_100000057103 [0,1,0,0,0,0|2,0,1]=4 815 B14R1.7648 CCC(=O)NCCc1c(n[nH]c1C)C 11a_100015186435_100000210414 [0,1,0,0,0,0|3,0,0]=4 816 B14R1.7648 CCC(=O)NCCc1c(n[nH]c1C)C 240690a_100015186435_100000210414 [0,1,0,0,0,0|3,0,0]=4 817 B14R1.7648 CCC(=O)NCCc1c(n[nH]c1C)C 527a_100015186435_100000210414 [0,1,0,0,0,0|3,0,0]=4 818 B14R1.7648 CCC(=O)NCCc1c(noc1C)C 11a_100000753187_100000210414 [0,1,0,0,0,0|3,0,0]=4 819 B14R1.7648 CCC(=O)NCCc1c(noc1C)C 1626a_100000753187_100000210414 [0,1,0,0,0,0|3,0,0]=4 820 B14R1.7648 CCC(=O)NCCc1c(noc1C)C 240690a_100000753187_100000210414 [0,1,0,0,0,0|3,0,0]=4 821 B14R1.7648 CCC(=O)NCCc1c(noc1C)C 527a_100000753187_100000210414 [0,1,0,0,0,0|3,0,0]=4 822 B14R2.121 CCc1nc(no1)c2scnc2C 271570a_100010115231_100012003642 [0,0,0,1,0,0|2,0,1]=4 823 B14R2.259 Cc1ccsc1SC2COC(=O)O2 62a_100010247149_100000032252 [0,0,0,1,0,0|3,0,0]=4 824 B14R2.259 Cc1ncsc1SC2COC(=O)O2 62a_100009817116_100000032252 [0,0,0,1,0,0|2,0,0]=3 825 B14R2.319 Cc1ccsc1CNC2CCC2=O 34a_100000238519_100009892977 [0,0,0,1,0,0|3,0,0]=4 826 B14R2.319 Cc1ccsc1COC2CCC2=O 34a_100000238368_100009892977 [0,0,0,1,0,0|3,0,0]=4 827 B14R2.319 Cc1ccsc1COC2CCC2=O 7a_100000238368_100009892977 [0,0,0,1,0,0|3,0,0]=4 828 B14R2.319 Cc1ncoc1COC2CCC2=O 34a_100000717716_100009892977 [0,0,0,1,0,0|2,1,0]=4 829 B14R2.319 Cc1ncoc1COC2CCC2=O 7a_100000717716_100009892977 [0,0,0,1,0,0|2,1,0]=4 830 B14R2.319 Cc1ncsc1CCN2CCC2C 269982a_100000755817_100000057103 [0,0,0,1,0,0|2,0,1]=4 831 B14R2.319 Cc1ncsc1CCN2CCC2C 34a_100000755817_100000057103 [0,0,0,1,0,0|2,0,1]=4 832 B14R2.319 Cc1ncsc1COC2CCC2=O 34a_100000750112_100009892977 [0,0,0,1,0,0|2,0,0]=3 833 B14R2.319 Cc1ncsc1COC2CCC2=O 7a_100000750112_100009892977 [0,0,0,1,0,0|2,0,0]=3 834 B14R2.319 Cc1nnsc1CSC2CCC2=O 62a_100000732739_100009892977 [0,0,0,1,0,0|3,0,0]=4 835 B14R2.319 Cc1nnsc1CSC2CCC2=O 62a_100009892977_100000732739 [0,0,0,1,0,0|3,0,0]=4 836 B14R2.319 O=C1CCC1OCc2scnc2Br 7a_100012000948_100009892977 [0,0,0,1,0,0|3,0,0]=4 837 B14R2.966 CCC(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_100000210202 [0,0,0,1,0,0|2,0,0]=3 838 B14R2.966 CCC(=O)N1CCc2ccsc2C1 11a_100000694341_100000210414 [0,0,0,1,0,0|3,0,0]=4 839 B14R2.966 CCC(=O)N1CCc2ccsc2C1 1626a_100000694341_100000210414 [0,0,0,1,0,0|3,0,0]=4 840 B14R2.966 CCC(=O)N1CCc2ccsc2C1 240690a_100000694341_100000210414 [0,0,0,1,0,0|3,0,0]=4 841 B14R2.966 CCC(=O)N1CCc2ccsc2C1 527a_100000694341_100000210414 [0,0,0,1,0,0|3,0,0]=4 842 B14R2.966 CCC(=O)N1CCc2nc[nH]c2C1 11a_100000723896_100000210414 [0,0,0,1,0,0|2,0,1]=4 843 B14R2.966 CCC(=O)N1CCc2nc[nH]c2C1 240690a_100000723896_100000210414 [0,0,0,1,0,0|2,0,1]=4 844 B14R2.966 CCC(=O)N1CCc2nc[nH]c2C1 527a_100000723896_100000210414 [0,0,0,1,0,0|2,0,1]=4 845 B14R2.966 CCC(=O)N1CCc2sccc2C1 11a_100015185043_100000210414 [0,0,0,1,0,0|2,0,0]=3 846 B14R2.966 CCC(=O)N1CCc2sccc2C1 1626a_100015185043_100000210414 [0,0,0,1,0,0|2,0,0]=3 847 B14R2.966 CCC(=O)N1CCc2sccc2C1 240690a_100015185043_100000210414 [0,0,0,1,0,0|2,0,0]=3 848 B14R2.966 CCC(=O)N1CCc2sccc2C1 527a_100015185043_100000210414 [0,0,0,1,0,0|2,0,0]=3 849 B14R2.966 CCC(=O)N1CCn2ccnc2C1 11a_100000749140_100000210414 [0,0,0,1,0,0|3,0,0]=4 850 B14R2.966 CCC(=O)N1CCn2ccnc2C1 240690a_100000749140_100000210414 [0,0,0,1,0,0|3,0,0]=4 851 B14R2.966 CCC(=O)N1CCn2ccnc2C1 527a_100000749140_100000210414 [0,0,0,1,0,0|3,0,0]=4 852 B14R2.966 CCC(=O)N1CCn2ncnc2C1 11a_100000094338_100000210414 [0,0,0,1,0,0|3,0,0]=4 853 B14R2.966 CCC(=O)N1CCn2ncnc2C1 240690a_100000094338_100000210414 [0,0,0,1,0,0|3,0,0]=4 854 B14R2.966 CCC(=O)N1CCn2ncnc2C1 527a_100000094338_100000210414 [0,0,0,1,0,0|3,0,0]=4 855 B14R2.966 CNC(=O)C1CCc2[nH]cnc2C1 240690a_100102657272_100015190355 [0,0,0,1,0,0|3,0,0]=4 856 B14R2.966 CNC(=O)C1CCc2[nH]cnc2C1 527a_100102657272_100015190355 [0,0,0,1,0,0|3,0,0]=4 857 B14R2.966 CNC(=O)N1CCc2sccc2C1 2708a_100102657272_100015185043 [0,0,0,1,0,0|3,0,0]=4 858 B14R2.966 CNC(=O)N1CCc2sccc2C1 273464a_100102657272_100015185043 [0,0,0,1,0,0|3,0,0]=4 859 B14R2.966 O=C(CF)C1CCc2[nH]cnc2C1 1458a_100015190355_100015361967 [0,0,0,1,0,0|3,0,0]=4 860 B14R2.966 O=C(CO)N1CCc2sccc2C1 240690a_100015185043_100000210174 [0,0,0,1,0,0|3,0,0]=4 861 B14R2.966 O=C(CO)N1CCc2sccc2C1 527a_100015185043_100000210174 [0,0,0,1,0,0|3,0,0]=4 862 B14R2.5216 Cc1ncsc1CCNC2CCC2 2230a_100000749019_100000057103 [0,0,0,1,0,0|2,0,1]=4 863 B14R2.5216 Cc1ncsc1CCNC2CCC2 270004a_100000238517_100000241760 [0,0,0,1,0,0|2,0,1]=4 864 B14R2.5216 Cc1ncsc1CCNC2CCC2 34a_100000238517_100000749161 [0,0,0,1,0,0|2,0,1]=4 865 B14R2.5216 Cc1ncsc1CCNC2CCC2 34a_100000749019_100000057103 [0,0,0,1,0,0|2,0,1]=4 866 B14R2.5216 Cc1ncsc1CCOC2CCC2 34a_100000211055_100000749161 [0,0,0,1,0,0|1,0,1]=3 867 B14R2.5216 Cc1ncsc1CCOC2CCC2 34a_100000748187_100000057103 [0,0,0,1,0,0|1,0,1]=3 868 B14R2.5216 Cc1ncsc1CCOC2COC2 34a_100000211055_100009818527 [0,0,0,1,0,0|2,0,1]=4 869 B14R2.5216 Cc1ncsc1CCOC2COC2 7a_100000211055_100009818527 [0,0,0,1,0,0|2,0,1]=4 870 B14R2.5216 Cc1ncsc1CCOC2CSC2 7a_100000072292_100000057103 [0,0,0,1,0,0|2,0,1]=4 871 B14R2.5216 Cc1ncsc1CCSC2CCC2 62a_100000057103_100000749161 [0,0,0,1,0,0|1,1,1]=4 872 B14R2.5306 Cc1ncsc1CCNC2(CC2)C 2230a_100000757604_100000057103 [0,0,0,1,0,0|2,0,1]=4 873 B14R2.5306 Cc1ncsc1CCOC2(CC2)C 7a_100011725673_100000057103 [0,0,0,1,0,0|1,0,1]=3 874 B12R1.353 C#CC(=O)CCc1scnc1C 1458a_100000211873_100000057103 [0,0,0,0,1,0|0,0,2]=3 875 B12R1.353 C=CC(=O)CCc1scnc1C 1458a_100000185746_100000057103 [0,0,0,0,1,0|0,0,2]=3 876 B12R1.353 C=CC(=O)NCc1scnc1C 1626a_100000752186_100000185746 [0,0,0,0,1,0|1,0,2]=4 877 B12R1.353 C=CC(=O)NCc1scnc1C 240690a_100000752186_200121576911 [0,0,0,0,1,0|1,0,2]=4 878 B12R1.353 CCC(=O)C=Cc1sccc1C 1458a_100000185125_100000210202 [0,0,0,0,1,0|1,0,2]=4 879 B12R1.353 CCC(=O)CCc1ccnn1C 1458a_100000763893_100000210202 [0,0,0,0,1,0|2,0,0]=3 880 B12R1.353 CCC(=O)CCc1nccn1C 1458a_200011261795_100000210202 [0,0,0,0,1,0|3,0,0]=4 881 B12R1.353 CCC(=O)CCc1scnc1C 1458a_100000210414_100000057103 [0,0,0,0,1,0|0,0,0]=1 882 B12R1.353 CCC(=O)CCc1scnc1C 1458a_100011934404_100000210202 [0,0,0,0,1,0|0,0,0]=1 883 B12R1.353 CCC(=O)CCn1ccnc1C 1458a_100000186006_100000210202 [0,0,0,0,1,0|2,0,0]=3 884 B12R1.353 CCC(=O)CCn1ccnc1C 1458a_100000210414_100000742477 [0,0,0,0,1,0|2,0,0]=3 885 B12R1.353 CCC(=O)CCn1nccc1C 1458a_100000210414_100011934269 [0,0,0,0,1,0|3,0,0]=4 886 B12R1.353 CCC(=O)CCn1nccc1C 1458a_200000759149_100000210202 [0,0,0,0,1,0|3,0,0]=4 887 B12R1.353 CCC(=O)CSc1[nH]cnc1Cl 62a_100000747405_100010200774 [0,0,0,0,1,0|3,0,0]=4 888 B12R1.353 CCC(=O)CSc1[nH]cnc1Cl 62a_100010200774_100000747405 [0,0,0,0,1,0|3,0,0]=4 889 B12R1.353 CCC(=O)CSc1c[nH]nc1C 62a_100000692133_100000747405 [0,0,0,0,1,0|3,0,0]=4 890 B12R1.353 CCC(=O)CSc1c[nH]nc1C 62a_100000747405_100000692133 [0,0,0,0,1,0|3,0,0]=4 891 B12R1.353 CCC(=O)CSc1ccnn1C 62a_100000688441_100000747405 [0,0,0,0,1,0|3,0,0]=4 892 B12R1.353 CCC(=O)CSc1ccnn1C 62a_100000747405_100000688441 [0,0,0,0,1,0|3,0,0]=4 893 B12R1.353 CCC(=O)CSc1ccsc1C 62a_100000684487_100000747405 [0,0,0,0,1,0|3,0,0]=4 894 B12R1.353 CCC(=O)CSc1ccsc1C 62a_100000747405_100000684487 [0,0,0,0,1,0|3,0,0]=4 895 B12R1.353 CCC(=O)CSc1nc[nH]c1C 62a_100000747405_100010186451 [0,0,0,0,1,0|2,0,1]=4 896 B12R1.353 CCC(=O)CSc1nc[nH]c1C 62a_100010186451_100000747405 [0,0,0,0,1,0|2,0,1]=4 897 B12R1.353 CCC(=O)CSc1ncnn1C 62a_100000732653_100000747405 [0,0,0,0,1,0|3,0,0]=4 898 B12R1.353 CCC(=O)CSc1ncnn1C 62a_100000747405_100000732653 [0,0,0,0,1,0|3,0,0]=4 899 B12R1.353 CCC(=O)CSc1ncsc1C 62a_100000732656_100000747405 [0,0,0,0,1,0|3,0,0]=4 900 B12R1.353 CCC(=O)CSc1ncsc1C 62a_100000747405_100000732656 [0,0,0,0,1,0|3,0,0]=4 901 B12R1.353 CCC(=O)CSc1sccc1Br 62a_100000747405_100012361411 [0,0,0,0,1,0|3,0,0]=4 902 B12R1.353 CCC(=O)CSc1sccc1Br 62a_100012361411_100000747405 [0,0,0,0,1,0|3,0,0]=4 903 B12R1.353 CCC(=O)CSc1sccc1C 62a_100000747405_100010247149 [0,0,0,0,1,0|2,0,0]=3 904 B12R1.353 CCC(=O)CSc1sccc1C 62a_100010247149_100000747405 [0,0,0,0,1,0|2,0,0]=3 905 B12R1.353 CCC(=O)CSc1scnc1C 62a_100000747405_100009817116 [0,0,0,0,1,0|1,0,0]=2 906 B12R1.353 CCC(=O)CSc1scnc1C 62a_100009817116_100000747405 [0,0,0,0,1,0|1,0,0]=2 907 B12R1.353 CCC(=O)NCc1c[nH]nc1C 240690a_100000737071_100000210414 [0,0,0,0,1,0|3,0,0]=4 908 B12R1.353 CCC(=O)NCc1c[nH]nc1C 527a_100000737071_100000210414 [0,0,0,0,1,0|3,0,0]=4 909 B12R1.353 CCC(=O)NCc1ccnn1C 11a_100025706696_100000210414 [0,0,0,0,1,0|3,0,0]=4 910 B12R1.353 CCC(=O)NCc1ccnn1C 240690a_100025706696_100000210414 [0,0,0,0,1,0|3,0,0]=4 911 B12R1.353 CCC(=O)NCc1ccnn1C 527a_100025706696_100000210414 [0,0,0,0,1,0|3,0,0]=4 912 B12R1.353 CCC(=O)NCc1nonc1C 11a_100000756898_100000210414 [0,0,0,0,1,0|3,0,0]=4 913 B12R1.353 CCC(=O)NCc1nonc1C 1626a_100000756898_100000210414 [0,0,0,0,1,0|3,0,0]=4 914 B12R1.353 CCC(=O)NCc1nonc1C 240690a_100000756898_100000210414 [0,0,0,0,1,0|3,0,0]=4 915 B12R1.353 CCC(=O)NCc1nonc1C 527a_100000756898_100000210414 [0,0,0,0,1,0|3,0,0]=4 916 B12R1.353 CCC(=O)NCc1sccc1C 11a_100000238519_100000210414 [0,0,0,0,1,0|2,0,0]=3 917 B12R1.353 CCC(=O)NCc1sccc1C 1626a_100000238519_100000210414 [0,0,0,0,1,0|2,0,0]=3 918 B12R1.353 CCC(=O)NCc1sccc1C 240690a_100000238519_100000210414 [0,0,0,0,1,0|2,0,0]=3 919 B12R1.353 CCC(=O)NCc1sccc1C 527a_100000238519_100000210414 [0,0,0,0,1,0|2,0,0]=3 920 B12R1.353 CCC(=O)NCc1sccc1Cl 11a_100011934584_100000210414 [0,0,0,0,1,0|3,0,0]=4 921 B12R1.353 CCC(=O)NCc1sccc1Cl 1626a_100011934584_100000210414 [0,0,0,0,1,0|3,0,0]=4 922 B12R1.353 CCC(=O)NCc1sccc1Cl 240690a_100011934584_100000210414 [0,0,0,0,1,0|3,0,0]=4 923 B12R1.353 CCC(=O)NCc1sccc1Cl 527a_100011934584_100000210414 [0,0,0,0,1,0|3,0,0]=4 924 B12R1.353 CCC(=O)NCc1scnc1C 11a_100000752186_100000210414 [0,0,0,0,1,0|1,0,0]=2 925 B12R1.353 CCC(=O)NCc1scnc1C 1626a_100000752186_100000210414 [0,0,0,0,1,0|1,0,0]=2 926 B12R1.353 CCC(=O)NCc1scnc1C 240690a_100000752186_100000210414 [0,0,0,0,1,0|1,0,0]=2 927 B12R1.353 CCC(=O)NCc1scnc1C 527a_100000752186_100000210414 [0,0,0,0,1,0|1,0,0]=2 928 B12R1.353 CCC(=O)NCc1snnc1C 11a_100000732738_100000210414 [0,0,0,0,1,0|2,0,0]=3 929 B12R1.353 CCC(=O)NCc1snnc1C 240690a_100000732738_100000210414 [0,0,0,0,1,0|2,0,0]=3 930 B12R1.353 CCC(=O)NCc1snnc1C 527a_100000732738_100000210414 [0,0,0,0,1,0|2,0,0]=3 931 B12R1.353 CCC(C)CSc1scnc1C 62a_100000748023_100009817116 [0,0,0,0,1,0|2,0,1]=4 932 B12R1.353 CCC(C)CSc1scnc1C 62a_100009817116_100000748023 [0,0,0,0,1,0|2,0,1]=4 933 B12R1.353 CCC(C)NCc1scnc1C 207a_100000209981_100000764165 [0,0,0,0,1,0|2,0,1]=4 934 B12R1.353 CCC(C)NCc1scnc1C 2230a_100000752186_100000758301 [0,0,0,0,1,0|2,0,1]=4 935 B12R1.353 CCC(C)OCc1ocnc1C 34a_100000717716_100011215416 [0,0,0,0,1,0|1,1,1]=4 936 B12R1.353 CCC(C)OCc1ocnc1C 7a_100000717716_100000758301 [0,0,0,0,1,0|1,1,1]=4 937 B12R1.353 CCC(C)OCc1sccc1C 34a_100000238368_100011215416 [0,0,0,0,1,0|2,0,1]=4 938 B12R1.353 CCC(C)OCc1sccc1C 7a_100000238368_100000758301 [0,0,0,0,1,0|2,0,1]=4 939 B12R1.353 CCC(C)OCc1scnc1Br 7a_100012000948_100000758301 [0,0,0,0,1,0|2,0,1]=4 940 B12R1.353 CCC(C)OCc1scnc1C 34a_100000750112_100011215416 [0,0,0,0,1,0|1,0,1]=3 941 B12R1.353 CCC(C)OCc1scnc1C 7a_100000750112_100000758301 [0,0,0,0,1,0|1,0,1]=3 942 B12R1.353 CCC(C)OCc1snnc1C 7a_100000210228_100000732739 [0,0,0,0,1,0|2,0,1]=4 943 B12R1.353 CCC(O)CSc1scnc1C 62a_100009817116_100011218378 [0,0,0,0,1,0|1,0,2]=4 944 B12R1.353 CCC(O)CSc1scnc1C 62a_100011218378_100009817116 [0,0,0,0,1,0|1,0,2]=4 945 B12R1.353 CCN(C)CCc1scnc1C 2230a_100000225621_100000057103 [0,0,0,0,1,0|2,0,0]=3 946 B12R1.353 CCN(C)CCc1scnc1C 2230a_100025748334_100000210202 [0,0,0,0,1,0|2,0,0]=3 947 B12R1.353 CCN(C)CCc1scnc1C 269982a_100000225621_100000057103 [0,0,0,0,1,0|2,0,0]=3 948 B12R1.353 CCN(C)CCc1scnc1C 269982a_100025748334_100000204670 [0,0,0,0,1,0|2,0,0]=3 949 B12R1.353 CC[C@H](C)CSc1scnc1C 62a_100009816398_100009817116 [0,0,0,0,1,0|2,0,1]=4 950 B12R1.353 CC[C@H](C)CSc1scnc1C 62a_100009817116_100009816398 [0,0,0,0,1,0|2,0,1]=4 951 B12R1.353 CNC(=O)CCc1ccnn1C 11a_106832991635_100000763893 [0,0,0,0,1,0|3,0,0]=4 952 B12R1.353 CNC(=O)CCc1ccnn1C 1626a_100102657272_100000763893 [0,0,0,0,1,0|3,0,0]=4 953 B12R1.353 CNC(=O)CCc1ccnn1C 240690a_100102657272_100000763893 [0,0,0,0,1,0|3,0,0]=4 954 B12R1.353 CNC(=O)CCc1ccnn1C 527a_100102657272_100000763893 [0,0,0,0,1,0|3,0,0]=4 955 B12R1.353 CNC(=O)CCc1scnc1C 11a_106832991635_100011934404 [0,0,0,0,1,0|1,0,0]=2 956 B12R1.353 CNC(=O)CCc1scnc1C 1626a_100102657272_100011934404 [0,0,0,0,1,0|1,0,0]=2 957 B12R1.353 CNC(=O)CCc1scnc1C 240690a_100102657272_100011934404 [0,0,0,0,1,0|1,0,0]=2 958 B12R1.353 CNC(=O)CCc1scnc1C 527a_100102657272_100011934404 [0,0,0,0,1,0|1,0,0]=2 959 B12R1.353 CNC(=O)CCn1ccnc1C 11a_106832991635_100000186006 [0,0,0,0,1,0|3,0,0]=4 960 B12R1.353 CNC(=O)CCn1ccnc1C 1626a_100102657272_100000186006 [0,0,0,0,1,0|3,0,0]=4 961 B12R1.353 CNC(=O)CCn1ccnc1C 240690a_100102657272_100000186006 [0,0,0,0,1,0|3,0,0]=4 962 B12R1.353 CNC(=O)CCn1ccnc1C 527a_100102657272_100000186006 [0,0,0,0,1,0|3,0,0]=4 963 B12R1.353 CNC(=O)CSc1sccc1C 62a_100000183359_100010247149 [0,0,0,0,1,0|3,0,0]=4 964 B12R1.353 CNC(=O)CSc1sccc1C 62a_100010247149_100000183359 [0,0,0,0,1,0|3,0,0]=4 965 B12R1.353 CNC(=O)CSc1scnc1C 62a_100000183359_100009817116 [0,0,0,0,1,0|2,0,0]=3 966 B12R1.353 CNC(=O)CSc1scnc1C 62a_100009817116_100000183359 [0,0,0,0,1,0|2,0,0]=3 967 B12R1.353 CNC(=O)NCc1sccc1C 2708a_100000238519_106832991635 [0,0,0,0,1,0|3,0,0]=4 968 B12R1.353 CNC(=O)NCc1sccc1C 2708a_100102657272_100000238519 [0,0,0,0,1,0|3,0,0]=4 969 B12R1.353 CNC(=O)NCc1sccc1C 273464a_100000238519_100102657272 [0,0,0,0,1,0|3,0,0]=4 970 B12R1.353 CNC(=O)NCc1sccc1C 273464a_100102657272_100000238519 [0,0,0,0,1,0|3,0,0]=4 971 B12R1.353 CNC(=O)NCc1sccc1C 512a_100000238519_100102657272 [0,0,0,0,1,0|3,0,0]=4 972 B12R1.353 CNC(=O)NCc1sccc1C 512a_106832991638_100000238519 [0,0,0,0,1,0|3,0,0]=4 973 B12R1.353 CNC(=O)NCc1scnc1C 2708a_100000752186_106832991635 [0,0,0,0,1,0|2,0,0]=3 974 B12R1.353 CNC(=O)NCc1scnc1C 2708a_100102657272_100000752186 [0,0,0,0,1,0|2,0,0]=3 975 B12R1.353 CNC(=O)NCc1scnc1C 273464a_100000752186_100102657272 [0,0,0,0,1,0|2,0,0]=3 976 B12R1.353 CNC(=O)NCc1scnc1C 273464a_100102657272_100000752186 [0,0,0,0,1,0|2,0,0]=3 977 B12R1.353 CNC(=O)NCc1scnc1C 512a_100000752186_100102657272 [0,0,0,0,1,0|2,0,0]=3 978 B12R1.353 CNC(=O)NCc1scnc1C 512a_106832991638_100000752186 [0,0,0,0,1,0|2,0,0]=3 979 B12R1.353 CNC(=O)NCc1snnc1C 2708a_100000732738_106832991635 [0,0,0,0,1,0|3,0,0]=4 980 B12R1.353 CNC(=O)NCc1snnc1C 2708a_100102657272_100000732738 [0,0,0,0,1,0|3,0,0]=4 981 B12R1.353 CNC(=O)NCc1snnc1C 273464a_100000732738_100102657272 [0,0,0,0,1,0|3,0,0]=4 982 B12R1.353 CNC(=O)NCc1snnc1C 273464a_100102657272_100000732738 [0,0,0,0,1,0|3,0,0]=4 983 B12R1.353 CNC(=O)NCc1snnc1C 512a_100000732738_100102657272 [0,0,0,0,1,0|3,0,0]=4 984 B12R1.353 CNC(=O)NCc1snnc1C 512a_106832991638_100000732738 [0,0,0,0,1,0|3,0,0]=4 985 B12R1.353 COC(=O)CSc1sccc1C 62a_100000747449_100010247149 [0,0,0,0,1,0|3,0,0]=4 986 B12R1.353 COC(=O)CSc1sccc1C 62a_100010247149_100000747449 [0,0,0,0,1,0|3,0,0]=4 987 B12R1.353 COC(=O)CSc1scnc1C 62a_100000747449_100009817116 [0,0,0,0,1,0|2,0,0]=3 988 B12R1.353 COC(=O)CSc1scnc1C 62a_100009817116_100000747449 [0,0,0,0,1,0|2,0,0]=3 989 B12R1.353 Cc1ccsc1CNC(=O)CO 240690a_100000238519_100000210174 [0,0,0,0,1,0|3,0,0]=4 990 B12R1.353 Cc1ccsc1CNC(=O)CO 527a_100000238519_100000210174 [0,0,0,0,1,0|3,0,0]=4 991 B12R1.353 Cc1nccn1CCC(=O)CF 1458a_100000186006_100015361967 [0,0,0,0,1,0|3,0,0]=4 992 B12R1.353 Cc1nccn1CCC(=O)CO 1458a_100000210174_100000742477 [0,0,0,0,1,0|3,0,0]=4 993 B12R1.353 Cc1ncsc1CCC(=O)CF 1458a_100011934404_100015361967 [0,0,0,0,1,0|1,0,0]=2 994 B12R1.353 Cc1ncsc1CCC(=O)CO 1458a_100000210174_100000057103 [0,0,0,0,1,0|1,0,0]=2 995 B12R1.353 Cc1ncsc1CCN(C)CF 269982a_100025748334_100015361967 [0,0,0,0,1,0|3,0,0]=4 996 B12R1.353 Cc1ncsc1CNC(=O)CO 240690a_100000752186_100000210174 [0,0,0,0,1,0|2,0,0]=3 997 B12R1.353 Cc1ncsc1CNC(=O)CO 527a_100000752186_100000210174 [0,0,0,0,1,0|2,0,0]=3 998 B12R1.353 Cc1ncsc1COC(C)CO 34a_100000750112_100012180447 [0,0,0,0,1,0|2,0,1]=4 999 B12R1.353 Cc1ncsc1COC(C)CO 7a_100000750112_100012180447 [0,0,0,0,1,0|2,0,1]=4 1000 B12R1.353 Cc1nnsc1CNC(=O)CO 240690a_100000732738_100000210174 [0,0,0,0,1,0|3,0,0]=4 1001 B12R1.353 Cc1nnsc1CNC(=O)CO 527a_100000732738_100000210174 [0,0,0,0,1,0|3,0,0]=4 1002 B12R1.353 Cn1nccc1CCC(=O)CF 1458a_100000763893_100015361967 [0,0,0,0,1,0|3,0,0]=4 1003 B14R1.819 C=C(C#N)COCCc1scnc1C 34a_100000211055_100000694840 [0,0,0,0,0,1|2,0,1]=4 1004 B14R1.819 C=CC(=O)OCCSc1sccc1C 62a_100009813456_100010247149 [0,0,0,0,0,1|1,0,2]=4 1005 B14R1.819 C=CC(=O)OCCSc1sccc1C 62a_100010247149_100009813456 [0,0,0,0,0,1|1,0,2]=4 1006 B14R1.819 C=CC(=O)OCCSc1scnc1C 62a_100009813456_100009817116 [0,0,0,0,0,1|0,0,2]=3 1007 B14R1.819 C=CC(=O)OCCSc1scnc1C 62a_100009817116_100009813456 [0,0,0,0,0,1|0,0,2]=3 1008 B14R1.819 CCC(=O)COCCc1scnc1C 34a_100000725409_100000057103 [0,0,0,0,0,1|0,0,0]=1 1009 B14R1.819 CCC(=O)COCCc1scnc1C 7a_100000211055_100000747405 [0,0,0,0,0,1|0,0,0]=1 1010 B14R1.819 CCC(=O)COCCn1ccnc1C 7a_100000702865_100000747405 [0,0,0,0,0,1|2,0,0]=3 1011 B14R1.819 CCC(=O)CSCCc1scnc1C 62a_100000057103_100000747405 [0,0,0,0,0,1|0,1,0]=2 1012 B14R1.819 CCC(=O)CSCCc1scnc1C 62a_100000747405_100000057103 [0,0,0,0,0,1|0,1,0]=2 1013 B14R1.819 CCC(=O)CSCCn1ccnc1C 62a_100000742477_100000747405 [0,0,0,0,0,1|2,1,0]=4 1014 B14R1.819 CCC(=O)CSCCn1ccnc1C 62a_100000747405_100000742477 [0,0,0,0,0,1|2,1,0]=4 1015 B14R1.819 CCC(=O)NCCCn1ccnc1C 240690a_100000728124_100000210414 [0,0,0,0,0,1|3,0,0]=4 1016 B14R1.819 CCC(=O)NCCCn1ccnc1C 527a_100000728124_100000210414 [0,0,0,0,0,1|3,0,0]=4 1017 B14R1.819 CCC(=O)NCCNc1ncnn1C 27a_100132302217_100000732653 [0,0,0,0,0,1|3,0,0]=4 1018 B14R1.819 CCC(C)CCNCc1scnc1C 207a_100020591266_100000764165 [0,0,0,0,0,1|2,0,1]=4 1019 B14R1.819 CCC(C)CNCCc1scnc1C 2230a_100000238517_100000748023 [0,0,0,0,0,1|2,0,1]=4 1020 B14R1.819 CCC(C)CNCCc1scnc1C 2230a_100020588543_100000057103 [0,0,0,0,0,1|2,0,1]=4 1021 B14R1.819 CCC(C)CNCCc1scnc1C 270004a_100000238517_100000243153 [0,0,0,0,0,1|2,0,1]=4 1022 B14R1.819 CCC(C)CNCCc1scnc1C 34a_100000238517_100000748023 [0,0,0,0,0,1|2,0,1]=4 1023 B14R1.819 CCC(C)COCCc1scnc1C 34a_100000211055_100000748023 [0,0,0,0,0,1|1,0,1]=3 1024 B14R1.819 CCC(C)COCCc1scnc1C 7a_100000211055_100000748023 [0,0,0,0,0,1|1,0,1]=3 1025 B14R1.819 CCC(C)CSCCc1scnc1C 62a_100000057103_100000748023 [0,0,0,0,0,1|1,1,1]=4 1026 B14R1.819 CCC(C)CSCCc1scnc1C 62a_100000748023_100000057103 [0,0,0,0,0,1|1,1,1]=4 1027 B14R1.819 CCC(O)CNCCc1scnc1C 2230a_100000238517_100011218378 [0,0,0,0,0,1|1,0,2]=4 1028 B14R1.819 CCC(O)CNCCc1scnc1C 2230a_100011218483_100000057103 [0,0,0,0,0,1|1,0,2]=4 1029 B14R1.819 CCC(O)CNCCc1scnc1C 34a_100000238517_100011218378 [0,0,0,0,0,1|1,0,2]=4 1030 B14R1.819 CCC(O)COCCc1scnc1C 34a_100000211055_100011218378 [0,0,0,0,0,1|0,0,2]=3 1031 B14R1.819 CCC(O)COCCc1scnc1C 7a_100000211055_100011218378 [0,0,0,0,0,1|0,0,2]=3 1032 B14R1.819 CCC(O)CSCCc1scnc1C 62a_100000057103_100011218378 [0,0,0,0,0,1|0,1,2]=4 1033 B14R1.819 CCC(O)CSCCc1scnc1C 62a_100011218378_100000057103 [0,0,0,0,0,1|0,1,2]=4 1034 B14R1.819 CCN(C)CCCSc1scnc1C 62a_100009817116_100015186262 [0,0,0,0,0,1|3,0,0]=4 1035 B14R1.819 CC[C@H](C)CNCCc1scnc1C 2230a_100000238517_100009816398 [0,0,0,0,0,1|2,0,1]=4 1036 B14R1.819 CC[C@H](C)CNCCc1scnc1C 34a_100000238517_100009816398 [0,0,0,0,0,1|2,0,1]=4 1037 B14R1.819 CC[C@H](C)COCCc1scnc1C 34a_100000211055_100009816398 [0,0,0,0,0,1|1,0,1]=3 1038 B14R1.819 CC[C@H](C)COCCc1scnc1C 7a_100000211055_100009816398 [0,0,0,0,0,1|1,0,1]=3 1039 B14R1.819 CC[C@H](C)COCCc1scnc1C 7a_100009816381_100000057103 [0,0,0,0,0,1|1,0,1]=3 1040 B14R1.819 CC[C@H](C)CSCCc1scnc1C 62a_100000057103_100009816398 [0,0,0,0,0,1|1,1,1]=4 1041 B14R1.819 CC[C@H](C)CSCCc1scnc1C 62a_100009816398_100000057103 [0,0,0,0,0,1|1,1,1]=4 1042 B14R1.819 CNC(=O)CCCSc1sccc1C 62a_100000741757_100010247149 [0,0,0,0,0,1|3,0,0]=4 1043 B14R1.819 CNC(=O)CCCSc1sccc1C 62a_100010247149_100000741757 [0,0,0,0,0,1|3,0,0]=4 1044 B14R1.819 CNC(=O)CCCSc1scnc1C 62a_100000741757_100009817116 [0,0,0,0,0,1|2,0,0]=3 1045 B14R1.819 CNC(=O)CCCSc1scnc1C 62a_100009817116_100000741757 [0,0,0,0,0,1|2,0,0]=3 1046 B14R1.819 CNC(=O)CCNCc1sccc1C 207a_100000738227_100000210881 [0,0,0,0,0,1|3,0,0]=4 1047 B14R1.819 CNC(=O)CCNCc1sccc1C 2230a_100000238519_100000737683 [0,0,0,0,0,1|3,0,0]=4 1048 B14R1.819 CNC(=O)CCNCc1sccc1C 270004a_100000738227_100000210881 [0,0,0,0,0,1|3,0,0]=4 1049 B14R1.819 CNC(=O)CCNCc1sccc1C 34a_100000238519_100012179268 [0,0,0,0,0,1|3,0,0]=4 1050 B14R1.819 CNC(=O)CCNCc1scnc1C 207a_100000738227_100000764165 [0,0,0,0,0,1|2,0,0]=3 1051 B14R1.819 CNC(=O)CCNCc1scnc1C 2230a_100000752186_100000737683 [0,0,0,0,0,1|2,0,0]=3 1052 B14R1.819 CNC(=O)CCNCc1snnc1C 2230a_100000732738_100000737683 [0,0,0,0,0,1|3,0,0]=4 1053 B14R1.819 CNC(=O)CCNCc1snnc1C 2230a_100000738227_100000732739 [0,0,0,0,0,1|3,0,0]=4 1054 B14R1.819 CNC(=O)CCNCc1snnc1C 270004a_100000738227_100000732746 [0,0,0,0,0,1|3,0,0]=4 1055 B14R1.819 CNC(=O)CCNCc1snnc1C 34a_100000738227_100000732739 [0,0,0,0,0,1|3,0,0]=4 1056 B14R1.819 CNC(=O)CCOCc1ocnc1C 34a_100000717716_100012179268 [0,0,0,0,0,1|2,1,0]=4 1057 B14R1.819 CNC(=O)CCOCc1ocnc1C 7a_100000717716_100000737683 [0,0,0,0,0,1|2,1,0]=4 1058 B14R1.819 CNC(=O)CCOCc1sccc1C 34a_100000238368_100012179268 [0,0,0,0,0,1|3,0,0]=4 1059 B14R1.819 CNC(=O)CCOCc1sccc1C 7a_100000238368_100000737683 [0,0,0,0,0,1|3,0,0]=4 1060 B14R1.819 CNC(=O)CCOCc1scnc1Br 7a_100012000948_100000737683 [0,0,0,0,0,1|3,0,0]=4 1061 B14R1.819 CNC(=O)CCOCc1scnc1C 34a_100000750112_100012179268 [0,0,0,0,0,1|2,0,0]=3 1062 B14R1.819 CNC(=O)CCOCc1scnc1C 7a_100000750112_100000737683 [0,0,0,0,0,1|2,0,0]=3 1063 B14R1.819 CNC(=O)CCOCc1snnc1C 34a_100000754576_100000732739 [0,0,0,0,0,1|3,0,0]=4 1064 B14R1.819 CNC(=O)CCSCc1snnc1C 62a_100000732739_100000737683 [0,0,0,0,0,1|3,0,0]=4 1065 B14R1.819 CNC(=O)CCSCc1snnc1C 62a_100000737683_100000732739 [0,0,0,0,0,1|3,0,0]=4 1066 B14R1.819 CNC(=O)CNCCc1scnc1C 2230a_100000238517_100000183359 [0,0,0,0,0,1|2,0,0]=3 1067 B14R1.819 CNC(=O)CNCCc1scnc1C 2230a_100000693194_100000057103 [0,0,0,0,0,1|2,0,0]=3 1068 B14R1.819 CNC(=O)CNCCc1scnc1C 34a_100000238517_100000183359 [0,0,0,0,0,1|2,0,0]=3 1069 B14R1.819 CNC(=O)COCCc1scnc1C 34a_100000211055_100000183359 [0,0,0,0,0,1|1,0,0]=2 1070 B14R1.819 CNC(=O)COCCc1scnc1C 34a_100000750040_100000057103 [0,0,0,0,0,1|1,0,0]=2 1071 B14R1.819 CNC(=O)COCCc1scnc1C 7a_100000211055_100000183359 [0,0,0,0,0,1|1,0,0]=2 1072 B14R1.819 CNC(=O)COCCn1ccnc1C 34a_100000702865_100000183359 [0,0,0,0,0,1|3,0,0]=4 1073 B14R1.819 CNC(=O)COCCn1ccnc1C 7a_100000702865_100000183359 [0,0,0,0,0,1|3,0,0]=4 1074 B14R1.819 CNC(=O)CSCCc1scnc1C 62a_100000057103_100000183359 [0,0,0,0,0,1|1,1,0]=3 1075 B14R1.819 CNC(=O)CSCCc1scnc1C 62a_100000183359_100000057103 [0,0,0,0,0,1|1,1,0]=3 1076 B14R1.819 CNC(=O)OCCOc1ccnn1C 34a_100020632926_200011997002 [0,0,0,0,0,1|3,0,0]=4 1077 B14R1.819 CNC(=O)OCCSc1[nH]cnc1Cl 62a_100010200774_200011997002 [0,0,0,0,0,1|3,0,0]=4 1078 B14R1.819 CNC(=O)OCCSc1[nH]cnc1Cl 62a_200011997002_100010200774 [0,0,0,0,0,1|3,0,0]=4 1079 B14R1.819 CNC(=O)OCCSc1c[nH]nc1C 62a_100000692133_200011997002 [0,0,0,0,0,1|3,0,0]=4 1080 B14R1.819 CNC(=O)OCCSc1c[nH]nc1C 62a_200011997002_100000692133 [0,0,0,0,0,1|3,0,0]=4 1081 B14R1.819 CNC(=O)OCCSc1ccnn1C 62a_100000688441_200011997002 [0,0,0,0,0,1|3,0,0]=4 1082 B14R1.819 CNC(=O)OCCSc1ccnn1C 62a_200011997002_100000688441 [0,0,0,0,0,1|3,0,0]=4 1083 B14R1.819 CNC(=O)OCCSc1ccsc1C 62a_100000684487_200011997002 [0,0,0,0,0,1|3,0,0]=4 1084 B14R1.819 CNC(=O)OCCSc1ccsc1C 62a_200011997002_100000684487 [0,0,0,0,0,1|3,0,0]=4 1085 B14R1.819 CNC(=O)OCCSc1nc[nH]c1C 62a_100010186451_200011997002 [0,0,0,0,0,1|2,0,1]=4 1086 B14R1.819 CNC(=O)OCCSc1nc[nH]c1C 62a_200011997002_100010186451 [0,0,0,0,0,1|2,0,1]=4 1087 B14R1.819 CNC(=O)OCCSc1ncnn1C 62a_100000732653_200011997002 [0,0,0,0,0,1|3,0,0]=4 1088 B14R1.819 CNC(=O)OCCSc1ncnn1C 62a_200011997002_100000732653 [0,0,0,0,0,1|3,0,0]=4 1089 B14R1.819 CNC(=O)OCCSc1ncsc1C 62a_100000732656_200011997002 [0,0,0,0,0,1|3,0,0]=4 1090 B14R1.819 CNC(=O)OCCSc1ncsc1C 62a_200011997002_100000732656 [0,0,0,0,0,1|3,0,0]=4 1091 B14R1.819 CNC(=O)OCCSc1sccc1Br 62a_100012361411_200011997002 [0,0,0,0,0,1|3,0,0]=4 1092 B14R1.819 CNC(=O)OCCSc1sccc1Br 62a_200011997002_100012361411 [0,0,0,0,0,1|3,0,0]=4 1093 B14R1.819 CNC(=O)OCCSc1sccc1C 62a_100010247149_200011997002 [0,0,0,0,0,1|2,0,0]=3 1094 B14R1.819 CNC(=O)OCCSc1sccc1C 62a_200011997002_100010247149 [0,0,0,0,0,1|2,0,0]=3 1095 B14R1.819 CNC(=O)OCCSc1scnc1C 62a_100009817116_200011997002 [0,0,0,0,0,1|1,0,0]=2 1096 B14R1.819 CNC(=O)OCCSc1scnc1C 62a_200011997002_100009817116 [0,0,0,0,0,1|1,0,0]=2 1097 B14R1.819 COC(=O)/C=C/CSc1scnc1C 62a_100000742655_100009817116 [0,0,0,0,0,1|2,0,1]=4 1098 B14R1.819 COC(=O)/C=C/CSc1scnc1C 62a_100009817116_100000742655 [0,0,0,0,0,1|2,0,1]=4 1099 B14R1.819 COC(=O)CCCSc1sccc1C 62a_100010247149_100011218270 [0,0,0,0,0,1|3,0,0]=4 1100 B14R1.819 COC(=O)CCCSc1sccc1C 62a_100011218270_100010247149 [0,0,0,0,0,1|3,0,0]=4 1101 B14R1.819 COC(=O)CCCSc1scnc1C 62a_100009817116_100011218270 [0,0,0,0,0,1|2,0,0]=3 1102 B14R1.819 COC(=O)CCCSc1scnc1C 62a_100011218270_100009817116 [0,0,0,0,0,1|2,0,0]=3 1103 B14R1.819 COC(=O)CCNCc1sccc1C 2230a_100000238519_100000204255 [0,0,0,0,0,1|3,0,0]=4 1104 B14R1.819 COC(=O)CCNCc1sccc1C 34a_100000238519_100000742370 [0,0,0,0,0,1|3,0,0]=4 1105 B14R1.819 COC(=O)CCNCc1scnc1C 2230a_100000752186_100000204255 [0,0,0,0,0,1|2,0,0]=3 1106 B14R1.819 COC(=O)CCNCc1snnc1C 2230a_100000732738_100000204255 [0,0,0,0,0,1|3,0,0]=4 1107 B14R1.819 COC(=O)CCOCc1ocnc1C 34a_100000717716_100000742370 [0,0,0,0,0,1|2,1,0]=4 1108 B14R1.819 COC(=O)CCOCc1ocnc1C 7a_100000717716_100000204255 [0,0,0,0,0,1|2,1,0]=4 1109 B14R1.819 COC(=O)CCOCc1sccc1C 34a_100000238368_100000742370 [0,0,0,0,0,1|3,0,0]=4 1110 B14R1.819 COC(=O)CCOCc1sccc1C 7a_100000238368_100000204255 [0,0,0,0,0,1|3,0,0]=4 1111 B14R1.819 COC(=O)CCOCc1scnc1Br 7a_100012000948_100000204255 [0,0,0,0,0,1|3,0,0]=4 1112 B14R1.819 COC(=O)CCOCc1scnc1C 34a_100000750112_100000742370 [0,0,0,0,0,1|2,0,0]=3 1113 B14R1.819 COC(=O)CCOCc1scnc1C 7a_100000750112_100000204255 [0,0,0,0,0,1|2,0,0]=3 1114 B14R1.819 COC(=O)CCSCc1snnc1C 62a_100000204255_100000732739 [0,0,0,0,0,1|3,0,0]=4 1115 B14R1.819 COC(=O)CCSCc1snnc1C 62a_100000732739_100000204255 [0,0,0,0,0,1|3,0,0]=4 1116 B14R1.819 COC(=O)CNCCc1scnc1C 2230a_100000238517_100000747449 [0,0,0,0,0,1|2,0,0]=3 1117 B14R1.819 COC(=O)CNCCc1scnc1C 34a_100000238517_100000747449 [0,0,0,0,0,1|2,0,0]=3 1118 B14R1.819 COC(=O)COCCc1scnc1C 34a_100000211055_100000747449 [0,0,0,0,0,1|1,0,0]=2 1119 B14R1.819 COC(=O)COCCc1scnc1C 7a_100000211055_100000747449 [0,0,0,0,0,1|1,0,0]=2 1120 B14R1.819 COC(=O)COCCn1ccnc1C 34a_100000702865_100000747449 [0,0,0,0,0,1|3,0,0]=4 1121 B14R1.819 COC(=O)COCCn1ccnc1C 7a_100000702865_100000747449 [0,0,0,0,0,1|3,0,0]=4 1122 B14R1.819 COC(=O)CSCCc1scnc1C 62a_100000057103_100000747449 [0,0,0,0,0,1|1,1,0]=3 1123 B14R1.819 COC(=O)CSCCc1scnc1C 62a_100000747449_100000057103 [0,0,0,0,0,1|1,1,0]=3 1124 B14R1.819 COC(=O)OCSCc1ccnn1C 62a_100000691648_100000139417 [0,0,0,0,0,1|3,0,0]=4 1125 B14R1.819 COC(=O)OCSCc1nc[nH]c1C 62a_100000751220_100000139417 [0,0,0,0,0,1|2,0,1]=4 1126 B14R1.819 COC(=O)OCSCc1ncoc1C 62a_200000693990_100000139417 [0,0,0,0,0,1|3,0,0]=4 1127 B14R1.819 COC(=O)OCSCc1nonc1C 62a_200000044682_100000139417 [0,0,0,0,0,1|3,0,0]=4 1128 B14R1.819 COC(=O)OCSCc1snnc1C 62a_100000732739_100000139417 [0,0,0,0,0,1|2,0,0]=3 1129 B14R1.819 COC(C)COCCc1scnc1C 34a_100000690652_100000057103 [0,0,0,0,0,1|2,0,1]=4 1130 B14R1.819 Cc1ncsc1CCOCC(C)CN 34a_100000744482_100000057103 [0,0,0,0,0,1|2,0,1]=4 1131 B14R1.819 Cc1ncsc1CCOCC(Cl)CCl 34a_100000033668_100000057103 [0,0,0,0,0,1|2,0,1]=4 1132 B14R1.819 Cc1ncsc1CCOCC(O)CO 34a_100000211055_100011219619 [0,0,0,0,0,1|1,0,2]=4 1133 B14R1.819 Cc1ncsc1CCOCC(O)CO 7a_100000211055_100011219619 [0,0,0,0,0,1|1,0,2]=4 1134 B14R1.819 Cc1ncsc1CCOC[C@@H](C)CO 34a_100000211055_100000059175 [0,0,0,0,0,1|2,0,1]=4 1135 B14R1.819 Cc1ncsc1CCOC[C@@H](C)CO 7a_100000211055_100000059175 [0,0,0,0,0,1|2,0,1]=4 1136 B14R1.819 Cc1ncsc1CCOC[C@@H](O)CF 34a_100000211055_100015614560 [0,0,0,0,0,1|1,0,2]=4 1137 B14R1.819 Cc1ncsc1CCOC[C@@H](O)CF 7a_100000211055_100015614560 [0,0,0,0,0,1|1,0,2]=4 1138 B14R1.819 Cc1ncsc1CCOC[C@@H](O)CO 34a_100000211055_100009815848 [0,0,0,0,0,1|1,0,2]=4 1139 B14R1.819 Cc1ncsc1CCOC[C@@H](O)CO 7a_100000211055_100009815848 [0,0,0,0,0,1|1,0,2]=4 1140 B14R1.819 Cc1ncsc1CCOC[C@H](F)CN 34a_100015665980_100000057103 [0,0,0,0,0,1|2,0,1]=4 1141 B14R1.837 CCC(=O)COCc1cccnc1C 34a_100000725409_100000732876 [0,0,0,0,0,1|3,0,0]=4 1142 B14R1.837 CCC(=O)COCc1cccnc1C 7a_100000729262_100000747405 [0,0,0,0,0,1|3,0,0]=4 1143 B14R1.837 CCC(=O)COCc1ccncc1C 34a_100000725409_100020672809 [0,0,0,0,0,1|3,0,0]=4 1144 B14R1.837 CCC(=O)CSCc1cccnc1C 62a_100000732876_100000747405 [0,0,0,0,0,1|3,0,0]=4 1145 B14R1.837 CCC(=O)CSCc1cccnc1C 62a_100000747405_100000732876 [0,0,0,0,0,1|3,0,0]=4 1146 B14R1.837 CCC(=O)CSCc1ccncc1C 62a_100000747405_100020672808 [0,0,0,0,0,1|3,0,0]=4 1147 B14R1.837 CCC(=O)CSCc1ccncc1C 62a_100020672808_100000747405 [0,0,0,0,0,1|3,0,0]=4 1148 B14R1.837 CCC(=O)NCCc1ccccc1C 11a_100000685071_100000210414 [0,0,0,0,0,1|3,0,0]=4 1149 B14R1.837 CCC(=O)NCCc1ccccc1C 1626a_100000685071_100000210414 [0,0,0,0,0,1|3,0,0]=4 1150 B14R1.837 CCC(=O)NCCc1ccccc1C 240690a_100000685071_100000210414 [0,0,0,0,0,1|3,0,0]=4 1151 B14R1.837 CCC(=O)NCCc1ccccc1C 527a_100000685071_100000210414 [0,0,0,0,0,1|3,0,0]=4 1152 B14R1.837 COC(=O)OCSc1cccnc1C 62a_100000751574_100000139417 [0,0,0,0,0,1|3,0,0]=4 1153 B14R1.837 COC(=O)OCSc1ccncc1C 62a_100000765111_100000139417 [0,0,0,0,0,1|3,0,0]=4 1154 B14R1.837 COC(=O)OCSc1cncnc1C 62a_100009819671_100000139417 [0,0,0,0,0,1|3,0,0]=4 1155 B14R1.837 COC(=O)OCSc1nccnc1C 62a_100011999405_100000139417 [0,0,0,0,0,1|3,0,0]=4 1156 B14R1.837 COC(=O)OCSc1ncncc1C 62a_100011998708_100000139417 [0,0,0,0,0,1|3,0,0]=4 1157 B14R1.1025 CCC(=O)COCc1ccnc(c1)C 34a_100000725409_200020672517 [0,0,0,0,0,1|3,0,0]=4 1158 B14R1.1025 CCC(=O)CSCc1ccnc(c1)C 62a_100000747405_200020672517 [0,0,0,0,0,1|3,0,0]=4 1159 B14R1.1025 CCC(=O)CSCc1ccnc(c1)C 62a_200020672517_100000747405 [0,0,0,0,0,1|3,0,0]=4 1160 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 11a_100000749837_100000210414 [0,0,0,0,0,1|3,0,0]=4 1161 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 1626a_100000749837_100000210414 [0,0,0,0,0,1|3,0,0]=4 1162 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 240690a_100000749837_100000210414 [0,0,0,0,0,1|3,0,0]=4 1163 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 527a_100000749837_100000210414 [0,0,0,0,0,1|3,0,0]=4 1164 B14R1.1025 CCC(=O)NCCc1cccc(n1)C 11a_100011824523_100000210414 [0,0,0,0,0,1|3,0,0]=4 1165 B14R1.1025 CCC(=O)NCCc1cccc(n1)C 1626a_100011824523_100000210414 [0,0,0,0,0,1|3,0,0]=4 1166 B14R1.1025 CCC(=O)NCCc1cccc(n1)C 240690a_100011824523_100000210414 [0,0,0,0,0,1|3,0,0]=4 1167 B14R1.1025 CCC(=O)NCCc1cccc(n1)C 527a_100011824523_100000210414 [0,0,0,0,0,1|3,0,0]=4 1168 B14R1.1025 COC(=O)OCSc1cc(ncn1)C 62a_100000744208_100000139417 [0,0,0,0,0,1|3,0,0]=4 1169 B14R1.1025 COC(=O)OCSc1ccnc(c1)C 62a_100000758586_100000139417 [0,0,0,0,0,1|3,0,0]=4 1170 B14R1.1025 COC(=O)OCSc1ccnc(n1)C 62a_100000749937_100000139417 [0,0,0,0,0,1|3,0,0]=4 1171 B11R0.109 C=C(C)C(=O)CCOC(=O)NC 1458a_100000185857_200011997002 [1,0,1,0,0,0|1,1,0]=4 1172 B11R0.40 C/C=C/COCCOC(=O)CC 7a_200000031056_100102629194 [1,0,1,0,0,0|2,0,0]=4 1173 B11R0.40 CC=CCOCCOC(=O)CC 7a_200000031056_100000070051 [1,0,1,0,0,0|2,0,0]=4 1174 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [2,0,0,0,0,0|2,0,0]=4 1175 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [2,0,0,0,0,0|2,0,0]=4 1176 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [2,0,0,0,0,0|2,0,0]=4 1177 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [2,0,0,0,0,0|2,0,0]=4 1178 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [2,0,0,0,0,0|2,0,0]=4 1179 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [2,0,0,0,0,0|2,0,0]=4 1180 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [2,0,0,0,0,0|2,0,0]=4 1181 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [2,0,0,0,0,0|2,0,0]=4 1182 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [2,0,0,0,0,0|2,0,0]=4 1183 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [2,0,0,0,0,0|1,0,0]=3 1184 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [2,0,0,0,0,0|1,0,0]=3 1185 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [2,0,0,0,0,0|1,0,0]=3 1186 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [2,0,0,0,0,0|1,0,0]=3 1187 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [2,0,0,0,0,0|2,0,0]=4 1188 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [2,0,0,0,0,0|2,0,0]=4 1189 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [2,0,0,0,0,0|1,1,0]=4 1190 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [2,0,0,0,0,0|1,1,0]=4 1191 B11R1.172 CC(=O)OCSc1cncs1 62a_100000076356_100011934649 [2,0,0,0,0,0|1,0,0]=3 1192 B11R1.172 CC(=O)OCSc1cncs1 62a_100011934649_100000076356 [2,0,0,0,0,0|1,0,0]=3 1193 B11R1.172 CC(=O)OCSc1nncs1 62a_100000076356_100000739804 [2,0,0,0,0,0|2,0,0]=4 1194 B11R1.172 CC(=O)OCSc1nncs1 62a_100000739804_100000076356 [2,0,0,0,0,0|2,0,0]=4 1195 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [2,0,0,0,0,0|2,0,0]=4 1196 B11R1.180 C/C=C/CSc1scnc1C 62a_100009817116_100102629194 [2,0,0,0,0,0|1,0,1]=4 1197 B11R1.180 C/C=C/CSc1scnc1C 62a_100102629194_100009817116 [2,0,0,0,0,0|1,0,1]=4 1198 B11R1.180 CC=CCSc1scnc1C 62a_100000070051_100009817116 [2,0,0,0,0,0|1,0,1]=4 1199 B11R1.180 CC=CCSc1scnc1C 62a_100009817116_100000070051 [2,0,0,0,0,0|1,0,1]=4 1200 B11R1.180 CCCCSc1scnc1C 62a_100000210211_100009817116 [2,0,0,0,0,0|1,0,1]=4 1201 B11R1.180 CCCCSc1scnc1C 62a_100009817116_100000210210 [2,0,0,0,0,0|1,0,1]=4 1202 B11R1.180 CCCNCc1scnc1C 207a_100020643023_100000764165 [2,0,0,0,0,0|1,0,1]=4 1203 B11R1.180 CCCNCc1scnc1C 2230a_100000752186_100000210303 [2,0,0,0,0,0|1,0,1]=4 1204 B11R1.180 CCCOCc1ocnc1C 34a_100000717716_100000210303 [2,0,0,0,0,0|0,1,1]=4 1205 B11R1.180 CCCOCc1ocnc1C 7a_100000717716_100000210303 [2,0,0,0,0,0|0,1,1]=4 1206 B11R1.180 CCCOCc1sccc1C 34a_100000238368_100000210303 [2,0,0,0,0,0|1,0,1]=4 1207 B11R1.180 CCCOCc1sccc1C 7a_100000238368_100000210303 [2,0,0,0,0,0|1,0,1]=4 1208 B11R1.180 CCCOCc1scnc1Br 7a_100012000948_100000210303 [2,0,0,0,0,0|1,0,1]=4 1209 B11R1.180 CCCOCc1scnc1C 34a_100000750112_100000210303 [2,0,0,0,0,0|0,0,1]=3 1210 B11R1.180 CCCOCc1scnc1C 7a_100000750112_100000210303 [2,0,0,0,0,0|0,0,1]=3 1211 B11R1.180 CCCOCc1snnc1C 34a_100000210258_100000732739 [2,0,0,0,0,0|1,0,1]=4 1212 B11R1.180 CCNCCc1scnc1C 2230a_100000238517_100000210202 [2,0,0,0,0,0|1,0,0]=3 1213 B11R1.180 CCNCCc1scnc1C 2230a_100015525214_100000057103 [2,0,0,0,0,0|1,0,0]=3 1214 B11R1.180 CCNCCc1scnc1C 34a_100000238517_100000210202 [2,0,0,0,0,0|1,0,0]=3 1215 B11R1.180 CCOC=Cc1scnc1C 271570a_100016256518_100009817116 [2,0,0,0,0,0|0,0,2]=4 1216 B11R1.180 CCOCCc1scnc1C 34a_100000211055_100000210202 [2,0,0,0,0,0|0,0,0]=2 1217 B11R1.180 CCOCCc1scnc1C 34a_100121572206_100000057103 [2,0,0,0,0,0|0,0,0]=2 1218 B11R1.180 CCOCCc1scnc1C 7a_100000211055_100000210202 [2,0,0,0,0,0|0,0,0]=2 1219 B11R1.180 CCOCCn1ccnc1C 34a_100000702865_100000210202 [2,0,0,0,0,0|2,0,0]=4 1220 B11R1.180 CCOCCn1ccnc1C 7a_100000702865_100000210202 [2,0,0,0,0,0|2,0,0]=4 1221 B11R1.180 CCOCSc1sccc1C 62a_100000739092_100010247149 [2,0,0,0,0,0|2,0,0]=4 1222 B11R1.180 CCOCSc1sccc1C 62a_100010247149_100000739092 [2,0,0,0,0,0|2,0,0]=4 1223 B11R1.180 CCOCSc1scnc1C 62a_100000739092_100009817116 [2,0,0,0,0,0|1,0,0]=3 1224 B11R1.180 CCOCSc1scnc1C 62a_100009817116_100000739092 [2,0,0,0,0,0|1,0,0]=3 1225 B11R1.180 CCSCCc1scnc1C 62a_100000057103_100000210202 [2,0,0,0,0,0|0,1,0]=3 1226 B11R1.180 CCSCCc1scnc1C 62a_100000210202_100000057103 [2,0,0,0,0,0|0,1,0]=3 1227 B11R1.180 CSCOCc1scnc1C 34a_100000750112_100011218213 [2,0,0,0,0,0|1,0,1]=4 1228 B11R1.180 Cc1ncsc1CCNCF 34a_100000238517_100015361967 [2,0,0,0,0,0|2,0,0]=4 1229 B11R1.180 Cc1ncsc1CCOCF 34a_100000211055_100015361967 [2,0,0,0,0,0|1,0,0]=3 1230 B11R1.180 Cc1ncsc1CCOCF 7a_100000211055_100015361967 [2,0,0,0,0,0|1,0,0]=3 1231 B11R1.180 Cc1ncsc1CCSCF 62a_100000057103_100015361967 [2,0,0,0,0,0|1,1,0]=4 1232 B11R1.180 Cc1ncsc1CCSCF 62a_100015361967_100000057103 [2,0,0,0,0,0|1,1,0]=4 1233 B11R1.180 Cc1ncsc1CNCC=O 2230a_100000752186_200015260668 [2,0,0,0,0,0|2,0,0]=4 1234 B11R1.180 Cc1ncsc1COCC=O 34a_100000750112_200009817547 [2,0,0,0,0,0|2,0,0]=4 1235 B11R1.180 Cc1ncsc1COCC=O 7a_100000750112_200015260668 [2,0,0,0,0,0|2,0,0]=4 1236 B11R1.180 Cc1ncsc1COCCF 34a_100000750112_100011217306 [2,0,0,0,0,0|1,0,1]=4 1237 B11R1.180 Cc1ncsc1COCCF 7a_100000750112_100011217306 [2,0,0,0,0,0|1,0,1]=4 1238 B11R1.180 Cc1ncsc1COCCO 34a_100000750112_100000211926 [2,0,0,0,0,0|1,0,1]=4 1239 B11R1.180 Cc1ncsc1COCCO 7a_100000750112_100000211926 [2,0,0,0,0,0|1,0,1]=4 1240 B11R1.4 CC/C=C\CSc1cncs1 62a_100011934649_100103147603 [2,0,0,0,0,0|2,0,0]=4 1241 B11R1.4 CC/C=C\CSc1cncs1 62a_100103147603_100011934649 [2,0,0,0,0,0|2,0,0]=4 1242 B11R1.4 CCCNCCc1cncs1 2230a_100016991637_100000210303 [2,0,0,0,0,0|1,0,1]=4 1243 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [2,0,0,0,0,0|1,0,1]=4 1244 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [2,0,0,0,0,0|1,0,1]=4 1245 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [2,0,0,0,0,0|1,0,1]=4 1246 B13R1.103 CC(=O)OCSc1sccc1CN 62a_100000076356_100000727803 [1,1,0,0,0,0|2,0,0]=4 1247 B13R1.103 CC(=O)OCSc1sccc1CN 62a_100000727803_100000076356 [1,1,0,0,0,0|2,0,0]=4 1248 B13R1.103 CC(=O)OCSc1sccc1CO 62a_100000076356_100009816922 [1,1,0,0,0,0|2,0,0]=4 1249 B13R1.103 CC(=O)OCSc1sccc1CO 62a_100009816922_100000076356 [1,1,0,0,0,0|2,0,0]=4 1250 B13R1.103 CCc1ccsc1SCOC(=O)C 62a_100000076356_200009875468 [1,1,0,0,0,0|2,0,0]=4 1251 B13R1.103 CCc1ccsc1SCOC(=O)C 62a_200009875468_100000076356 [1,1,0,0,0,0|2,0,0]=4 1252 B13R1.169 C=C(C)C(=O)CCc1scnc1C 1458a_100000185857_100000057103 [1,1,0,0,0,0|2,0,0]=4 1253 B13R1.169 CC(=O)C(=O)CSc1scnc1C 62a_100009817116_100011261029 [1,1,0,0,0,0|2,0,0]=4 1254 B13R1.169 CC(=O)C(=O)CSc1scnc1C 62a_100011261029_100009817116 [1,1,0,0,0,0|2,0,0]=4 1255 B13R1.169 CC(=O)C(C)NCc1scnc1C 2230a_100000752186_100009814033 [1,1,0,0,0,0|2,0,0]=4 1256 B13R1.169 CC(=O)C(C)OCc1scnc1C 7a_100000750112_100000179758 [1,1,0,0,0,0|2,0,0]=4 1257 B13R1.169 CC(=O)N(C)CCc1scnc1C 11a_100025748334_100015343762 [1,1,0,0,0,0|1,0,0]=3 1258 B13R1.169 CC(=O)N(C)CCc1scnc1C 1626a_100025748334_100015343762 [1,1,0,0,0,0|1,0,0]=3 1259 B13R1.169 CC(=O)N(C)CCc1scnc1C 240690a_100025748334_100015343762 [1,1,0,0,0,0|1,0,0]=3 1260 B13R1.169 CC(=O)N(C)CCc1scnc1C 527a_100025748334_100103153847 [1,1,0,0,0,0|1,0,0]=3 1261 B13R1.195 Cc1ncsc1CCNS(=O)(=O)C 40a_100000238517_100000738038 [1,1,0,0,0,0|2,0,0]=4 1262 B13R1.195 Cc1ncsc1CCOC(C)(C)C 34a_100000211055_100000210625 [1,1,0,0,0,0|1,0,1]=4 1263 B13R1.195 Cc1ncsc1CCOC(C)(C)C 34a_100015890283_100000057103 [1,1,0,0,0,0|1,0,1]=4 1264 B13R1.195 Cc1ncsc1CCOC(C)(C)C 7a_100015890283_100000057103 [1,1,0,0,0,0|1,0,1]=4 1265 B13R1.282 CC(=O)OC(C)Sc1sccc1C 62a_100009818208_100010247149 [1,1,0,0,0,0|2,0,0]=4 1266 B13R1.282 CC(=O)OC(C)Sc1sccc1C 62a_100010247149_100009818208 [1,1,0,0,0,0|2,0,0]=4 1267 B13R1.282 CC(=O)OC(C)Sc1scnc1C 62a_100009817116_100009818208 [1,1,0,0,0,0|1,0,0]=3 1268 B13R1.282 CC(=O)OC(C)Sc1scnc1C 62a_100009818208_100009817116 [1,1,0,0,0,0|1,0,0]=3 1269 B13R1.3485 CC(=O)CCSc1sc(nc1C)C 62a_100000053229_100009814099 [1,1,0,0,0,0|2,0,0]=4 1270 B13R1.3485 CC(=O)CCSc1sc(nc1C)C 62a_100009814099_100000053229 [1,1,0,0,0,0|2,0,0]=4 1271 B13R1.3485 CC(=O)CCSc1sc(nc1C)N 62a_100000053229_100159269596 [1,1,0,0,0,0|2,0,0]=4 1272 B13R1.3485 CC(=O)CCSc1sc(nc1C)N 62a_100159269596_100000053229 [1,1,0,0,0,0|2,0,0]=4 1273 B13R1.3485 CC(=O)COCc1sc(nc1C)C 34a_100000211253_100000760948 [1,1,0,0,0,0|2,0,0]=4 1274 B13R1.3485 CC(=O)OCSc1sc(cc1C)C 62a_100000076356_100000689295 [1,1,0,0,0,0|2,0,0]=4 1275 B13R1.3485 CC(=O)OCSc1sc(cc1C)C 62a_100000689295_100000076356 [1,1,0,0,0,0|2,0,0]=4 1276 B13R1.3485 CC(=O)OCSc1sc(nc1C)C 62a_100000076356_100009814099 [1,1,0,0,0,0|1,0,0]=3 1277 B13R1.3485 CC(=O)OCSc1sc(nc1C)C 62a_100009814099_100000076356 [1,1,0,0,0,0|1,0,0]=3 1278 B13R1.3485 CC(=O)OCSc1sc(nc1C)N 62a_100000076356_100159269596 [1,1,0,0,0,0|1,0,0]=3 1279 B13R1.3485 CC(=O)OCSc1sc(nc1C)N 62a_100159269596_100000076356 [1,1,0,0,0,0|1,0,0]=3 1280 B13R1.167 C=C(C)COCCc1scnc1C 34a_100000210245_100000057103 [1,1,0,0,0,0|0,0,2]=4 1281 B13R1.167 C=C(C)COCCc1scnc1C 34a_100000211055_100000748629 [1,1,0,0,0,0|0,0,2]=4 1282 B13R1.167 C=C(C)COCCc1scnc1C 7a_100000211055_100000748629 [1,1,0,0,0,0|0,0,2]=4 1283 B13R1.167 CC(=O)COCCc1scnc1C 34a_100000211253_100000057103 [1,1,0,0,0,0|0,0,2]=4 1284 B13R1.167 Cc1ncsc1CCNCC(C)C 2230a_100000210953_100000057103 [1,1,0,0,0,0|1,0,1]=4 1285 B13R1.167 Cc1ncsc1CCNCC(C)C 2230a_100000238517_100000210760 [1,1,0,0,0,0|1,0,1]=4 1286 B13R1.167 Cc1ncsc1CCNCC(C)C 270004a_100000238517_100000210432 [1,1,0,0,0,0|1,0,1]=4 1287 B13R1.167 Cc1ncsc1CCNCC(C)C 34a_100000210953_100000057103 [1,1,0,0,0,0|1,0,1]=4 1288 B13R1.167 Cc1ncsc1CCNCC(C)C 34a_100000238517_100000210624 [1,1,0,0,0,0|1,0,1]=4 1289 B13R1.167 Cc1ncsc1CCNCC(C)O 2230a_100000210904_100000057103 [1,1,0,0,0,0|1,0,1]=4 1290 B13R1.167 Cc1ncsc1CCNCC(C)O 2230a_100000238517_100011218427 [1,1,0,0,0,0|1,0,1]=4 1291 B13R1.167 Cc1ncsc1CCNCC(C)O 34a_100000210904_100000057103 [1,1,0,0,0,0|1,0,1]=4 1292 B13R1.167 Cc1ncsc1CCNCC(C)O 34a_100000238517_100011218427 [1,1,0,0,0,0|1,0,1]=4 1293 B13R1.167 Cc1ncsc1CCNC[C@@H](C)O 2230a_100000238517_100009817552 [1,1,0,0,0,0|1,0,1]=4 1294 B13R1.167 Cc1ncsc1CCNC[C@@H](C)O 34a_100000238517_100009817552 [1,1,0,0,0,0|1,0,1]=4 1295 B13R1.167 Cc1ncsc1CCOCC(C)Br 34a_100012180447_100000057103 [1,1,0,0,0,0|0,0,1]=3 1296 B13R1.167 Cc1ncsc1CCOCC(C)C 34a_100000210257_100000057103 [1,1,0,0,0,0|0,0,1]=3 1297 B13R1.167 Cc1ncsc1CCOCC(C)C 34a_100000211055_100000210624 [1,1,0,0,0,0|0,0,1]=3 1298 B13R1.167 Cc1ncsc1CCOCC(C)C 7a_100000211055_100000210760 [1,1,0,0,0,0|0,0,1]=3 1299 B13R1.167 Cc1ncsc1CCOCC(C)F 34a_100015925927_100000057103 [1,1,0,0,0,0|0,0,1]=3 1300 B13R1.167 Cc1ncsc1CCOCC(C)O 34a_100000211055_100011218427 [1,1,0,0,0,0|0,0,1]=3 1301 B13R1.167 Cc1ncsc1CCOCC(C)O 7a_100000211055_100011218427 [1,1,0,0,0,0|0,0,1]=3 1302 B13R1.167 Cc1ncsc1CCOCC(F)F 34a_100000211055_100011934356 [1,1,0,0,0,0|1,0,1]=4 1303 B13R1.167 Cc1ncsc1CCOCC(F)F 34a_100000743014_100000057103 [1,1,0,0,0,0|1,0,1]=4 1304 B13R1.167 Cc1ncsc1CCOCC(F)F 7a_100000211055_100011934356 [1,1,0,0,0,0|1,0,1]=4 1305 B13R1.167 Cc1ncsc1CCOC[C@@H](C)Cl 34a_100016084084_100000057103 [1,1,0,0,0,0|0,0,1]=3 1306 B13R1.167 Cc1ncsc1CCOC[C@@H](C)N 34a_100000737577_100000057103 [1,1,0,0,0,0|0,0,1]=3 1307 B13R1.167 Cc1ncsc1CCOC[C@@H](C)O 34a_100000211055_100009817552 [1,1,0,0,0,0|0,0,1]=3 1308 B13R1.167 Cc1ncsc1CCOC[C@@H](C)O 7a_100000211055_100009817552 [1,1,0,0,0,0|0,0,1]=3 1309 B13R1.167 Cc1ncsc1CCSCC(C)C 62a_100000057103_100000210760 [1,1,0,0,0,0|0,1,1]=4 1310 B13R1.167 Cc1ncsc1CCSCC(C)C 62a_100000210624_100000057103 [1,1,0,0,0,0|0,1,1]=4 1311 B13R1.167 Cc1ncsc1CCSCC(C)O 62a_100000057103_100011218427 [1,1,0,0,0,0|0,1,1]=4 1312 B13R1.167 Cc1ncsc1CCSCC(C)O 62a_100011218427_100000057103 [1,1,0,0,0,0|0,1,1]=4 1313 B13R1.167 Cc1ncsc1CCSC[C@@H](C)O 62a_100000057103_100009817552 [1,1,0,0,0,0|0,1,1]=4 1314 B13R1.167 Cc1ncsc1CCSC[C@@H](C)O 62a_100009817552_100000057103 [1,1,0,0,0,0|0,1,1]=4 1315 B13R1.190 CC/C=C\CSc1sc(nc1C)C 62a_100009814099_100103147603 [1,1,0,0,0,0|2,0,0]=4 1316 B13R1.190 CC/C=C\CSc1sc(nc1C)C 62a_100103147603_100009814099 [1,1,0,0,0,0|2,0,0]=4 1317 B13R1.190 CC/C=C\CSc1sc(nc1C)N 62a_100103147603_100159269596 [1,1,0,0,0,0|2,0,0]=4 1318 B13R1.190 CC/C=C\CSc1sc(nc1C)N 62a_100159269596_100103147603 [1,1,0,0,0,0|2,0,0]=4 1319 B13R1.444 CC=CC(=O)CCc1scnc1C 1458a_100000210699_100000057103 [1,1,0,0,0,0|1,0,1]=4 1320 B13R1.444 CCCC(=O)CCc1scnc1C 1458a_100000211992_100000057103 [1,1,0,0,0,0|1,0,1]=4 1321 B13R1.444 CCCC(=O)CCc1scnc1C 1458a_100011934404_100000210303 [1,1,0,0,0,0|1,0,1]=4 1322 B13R1.444 CCCN(C)CCc1scnc1C 2230a_100000747261_100000057103 [1,1,0,0,0,0|1,0,1]=4 1323 B13R1.444 CCCN(C)CCc1scnc1C 2230a_100025748334_100000210303 [1,1,0,0,0,0|1,0,1]=4 1324 B13R1.444 CCCN(C)CCc1scnc1C 269982a_100000747261_100000057103 [1,1,0,0,0,0|1,0,1]=4 1325 B13R1.444 CCCN(C)CCc1scnc1C 269982a_100025748334_100000210303 [1,1,0,0,0,0|1,0,1]=4 1326 B13R1.444 CCNC(=O)CCc1scnc1C 11a_100015525214_100011934404 [1,1,0,0,0,0|2,0,0]=4 1327 B13R1.444 CCNC(=O)CCc1scnc1C 240690a_100015525214_100011934404 [1,1,0,0,0,0|2,0,0]=4 1328 B13R1.444 CCNC(=O)CCc1scnc1C 527a_100015525214_100011934404 [1,1,0,0,0,0|2,0,0]=4 1329 B13R1.654 C#CCCOCCc1scnc1C 34a_100000211055_100000688953 [1,1,0,0,0,0|0,0,2]=4 1330 B13R1.654 C#CCCOCCc1scnc1C 34a_100011215631_100000057103 [1,1,0,0,0,0|0,0,2]=4 1331 B13R1.654 C#CCCOCCc1scnc1C 7a_100000211055_100000688953 [1,1,0,0,0,0|0,0,2]=4 1332 B13R1.654 C/C=C/CNCCc1scnc1C 34a_100000238517_100102629194 [1,1,0,0,0,0|1,0,1]=4 1333 B13R1.654 C/C=C/COCCc1scnc1C 34a_100000211055_100102629194 [1,1,0,0,0,0|0,0,1]=3 1334 B13R1.654 C/C=C/COCCc1scnc1C 34a_100016270725_100000057103 [1,1,0,0,0,0|0,0,1]=3 1335 B13R1.654 C/C=C/COCCc1scnc1C 7a_100000211055_100102629194 [1,1,0,0,0,0|0,0,1]=3 1336 B13R1.654 C/C=C/CSCCc1scnc1C 62a_100000057103_100102629194 [1,1,0,0,0,0|0,1,1]=4 1337 B13R1.654 C/C=C/CSCCc1scnc1C 62a_100102629194_100000057103 [1,1,0,0,0,0|0,1,1]=4 1338 B13R1.654 C=CCCOCCc1scnc1C 34a_100000211055_100000754431 [1,1,0,0,0,0|0,0,2]=4 1339 B13R1.654 C=CCCOCCc1scnc1C 34a_100011205117_100000057103 [1,1,0,0,0,0|0,0,2]=4 1340 B13R1.654 C=CCCOCCc1scnc1C 7a_100000211055_100000754431 [1,1,0,0,0,0|0,0,2]=4 1341 B13R1.654 CC#CCOCCc1scnc1C 34a_100000211055_100000748600 [1,1,0,0,0,0|0,0,2]=4 1342 B13R1.654 CC#CCOCCc1scnc1C 34a_100000761923_100000057103 [1,1,0,0,0,0|0,0,2]=4 1343 B13R1.654 CC#CCOCCc1scnc1C 7a_100000211055_100000748600 [1,1,0,0,0,0|0,0,2]=4 1344 B13R1.654 CC/C=C\CCSc1sccc1C 62a_100010247149_100015370543 [1,1,0,0,0,0|2,0,0]=4 1345 B13R1.654 CC/C=C\CCSc1sccc1C 62a_100015370543_100010247149 [1,1,0,0,0,0|2,0,0]=4 1346 B13R1.654 CC/C=C\CCSc1scnc1C 62a_100009817116_100015370543 [1,1,0,0,0,0|1,0,0]=3 1347 B13R1.654 CC/C=C\CCSc1scnc1C 62a_100015370543_100009817116 [1,1,0,0,0,0|1,0,0]=3 1348 B13R1.654 CC/C=C\CNCc1sccc1C 2230a_100000238519_100103147603 [1,1,0,0,0,0|2,0,0]=4 1349 B13R1.654 CC/C=C\CNCc1sccc1C 34a_100000238519_100103147603 [1,1,0,0,0,0|2,0,0]=4 1350 B13R1.654 CC/C=C\CNCc1scnc1C 2230a_100000752186_100103147603 [1,1,0,0,0,0|1,0,0]=3 1351 B13R1.654 CC/C=C\CNCc1snnc1C 2230a_100000732738_100103147603 [1,1,0,0,0,0|2,0,0]=4 1352 B13R1.654 CC/C=C\COCc1ocnc1C 34a_100000717716_100103147603 [1,1,0,0,0,0|1,1,0]=4 1353 B13R1.654 CC/C=C\COCc1ocnc1C 7a_100000717716_100103147603 [1,1,0,0,0,0|1,1,0]=4 1354 B13R1.654 CC/C=C\COCc1sccc1C 34a_100000238368_100103147603 [1,1,0,0,0,0|2,0,0]=4 1355 B13R1.654 CC/C=C\COCc1sccc1C 7a_100000238368_100103147603 [1,1,0,0,0,0|2,0,0]=4 1356 B13R1.654 CC/C=C\COCc1scnc1Br 7a_100012000948_100103147603 [1,1,0,0,0,0|2,0,0]=4 1357 B13R1.654 CC/C=C\COCc1scnc1C 34a_100000750112_100103147603 [1,1,0,0,0,0|1,0,0]=3 1358 B13R1.654 CC/C=C\COCc1scnc1C 7a_100000750112_100103147603 [1,1,0,0,0,0|1,0,0]=3 1359 B13R1.654 CC/C=C\COCc1snnc1C 34a_100016268518_100000732739 [1,1,0,0,0,0|2,0,0]=4 1360 B13R1.654 CC/C=C\CSCc1snnc1C 62a_100000732739_100103147603 [1,1,0,0,0,0|2,0,0]=4 1361 B13R1.654 CC/C=C\CSCc1snnc1C 62a_100103147603_100000732739 [1,1,0,0,0,0|2,0,0]=4 1362 B13R1.654 CC=CCNCCc1scnc1C 2230a_100000238517_100000070051 [1,1,0,0,0,0|1,0,1]=4 1363 B13R1.654 CC=CCNCCc1scnc1C 34a_100000238517_100000070051 [1,1,0,0,0,0|1,0,1]=4 1364 B13R1.654 CC=CCOCCc1scnc1C 34a_100000211055_100000070051 [1,1,0,0,0,0|0,0,1]=3 1365 B13R1.654 CC=CCOCCc1scnc1C 7a_100000211055_100000070051 [1,1,0,0,0,0|0,0,1]=3 1366 B13R1.654 CC=CCSCCc1scnc1C 62a_100000057103_100000070051 [1,1,0,0,0,0|0,1,1]=4 1367 B13R1.654 CC=CCSCCc1scnc1C 62a_100000070051_100000057103 [1,1,0,0,0,0|0,1,1]=4 1368 B13R1.654 CCC#CCNCc1scnc1C 2230a_100000752186_100009813939 [1,1,0,0,0,0|1,0,1]=4 1369 B13R1.654 CCC#CCOCc1scnc1C 34a_100000750112_100009813939 [1,1,0,0,0,0|1,0,1]=4 1370 B13R1.654 CCC#CCOCc1scnc1C 7a_100000750112_100009813939 [1,1,0,0,0,0|1,0,1]=4 1371 B13R1.654 CCCCCCSc1scnc1C 62a_100000210314_100009817116 [1,1,0,0,0,0|1,0,1]=4 1372 B13R1.654 CCCCCCSc1scnc1C 62a_100009817116_100000210757 [1,1,0,0,0,0|1,0,1]=4 1373 B13R1.654 CCCCCNCc1scnc1C 207a_100000209983_100000764165 [1,1,0,0,0,0|1,0,1]=4 1374 B13R1.654 CCCCCNCc1scnc1C 2230a_100000752186_100000210326 [1,1,0,0,0,0|1,0,1]=4 1375 B13R1.654 CCCCCOCc1scnc1C 34a_100000750112_100000718602 [1,1,0,0,0,0|1,0,1]=4 1376 B13R1.654 CCCCCOCc1scnc1C 7a_100000750112_100000210326 [1,1,0,0,0,0|1,0,1]=4 1377 B13R1.654 CCCCNCCc1scnc1C 2230a_100000102301_100000057103 [1,1,0,0,0,0|1,0,1]=4 1378 B13R1.654 CCCCNCCc1scnc1C 2230a_100000238517_100000210211 [1,1,0,0,0,0|1,0,1]=4 1379 B13R1.654 CCCCNCCc1scnc1C 34a_100000238517_100000210210 [1,1,0,0,0,0|1,0,1]=4 1380 B13R1.654 CCCCNCCc1scnc1C 7a_106832991798_100000057103 [1,1,0,0,0,0|1,0,1]=4 1381 B13R1.654 CCCCOCCc1scnc1C 34a_100000210227_100000057103 [1,1,0,0,0,0|0,0,1]=3 1382 B13R1.654 CCCCOCCc1scnc1C 34a_100000211055_100000210210 [1,1,0,0,0,0|0,0,1]=3 1383 B13R1.654 CCCCOCCc1scnc1C 7a_100000210227_100000057103 [1,1,0,0,0,0|0,0,1]=3 1384 B13R1.654 CCCCOCCc1scnc1C 7a_100000211055_100000210211 [1,1,0,0,0,0|0,0,1]=3 1385 B13R1.654 CCCCOCSc1scnc1C 62a_100009817116_100011995733 [1,1,0,0,0,0|1,0,1]=4 1386 B13R1.654 CCCCOCSc1scnc1C 62a_100011995733_100009817116 [1,1,0,0,0,0|1,0,1]=4 1387 B13R1.654 CCCCSCCc1scnc1C 62a_100000057103_100000210210 [1,1,0,0,0,0|0,1,1]=4 1388 B13R1.654 CCCCSCCc1scnc1C 62a_100000210211_100000057103 [1,1,0,0,0,0|0,1,1]=4 1389 B13R1.654 CCCOCCSc1sccc1C 62a_100010247149_100011215938 [1,1,0,0,0,0|1,0,1]=4 1390 B13R1.654 CCCOCCSc1sccc1C 62a_100011215938_100010247149 [1,1,0,0,0,0|1,0,1]=4 1391 B13R1.654 CCCOCCSc1scnc1C 62a_100009817116_100011215938 [1,1,0,0,0,0|0,0,1]=3 1392 B13R1.654 CCCOCCSc1scnc1C 62a_100011215938_100009817116 [1,1,0,0,0,0|0,0,1]=3 1393 B13R1.654 CCOCCCSc1scnc1C 62a_100009817116_100012232248 [1,1,0,0,0,0|2,0,0]=4 1394 B13R1.654 CCOCCCSc1scnc1C 62a_100012232248_100009817116 [1,1,0,0,0,0|2,0,0]=4 1395 B13R1.654 CCOCCNCc1scnc1C 207a_100011200944_100000764165 [1,1,0,0,0,0|2,0,0]=4 1396 B13R1.654 CCOCCNCc1scnc1C 2230a_100000752186_100011215890 [1,1,0,0,0,0|2,0,0]=4 1397 B13R1.654 CCOCCOCc1scnc1C 34a_100000750112_100000210147 [1,1,0,0,0,0|2,0,0]=4 1398 B13R1.654 CCOCCOCc1scnc1C 7a_100000750112_100011215890 [1,1,0,0,0,0|2,0,0]=4 1399 B13R1.654 CCOCSCCc1scnc1C 62a_100000057103_100000739092 [1,1,0,0,0,0|0,1,1]=4 1400 B13R1.654 CCOCSCCc1scnc1C 62a_100000739092_100000057103 [1,1,0,0,0,0|0,1,1]=4 1401 B13R1.654 CCSCCNCc1scnc1C 207a_100000106463_100000764165 [1,1,0,0,0,0|2,0,0]=4 1402 B13R1.654 CCSCCNCc1scnc1C 2230a_100000752186_100000757381 [1,1,0,0,0,0|2,0,0]=4 1403 B13R1.654 CCSCCOCc1scnc1C 34a_100000750112_100000757381 [1,1,0,0,0,0|2,0,0]=4 1404 B13R1.654 CCSCCOCc1scnc1C 7a_100000750112_100000757381 [1,1,0,0,0,0|2,0,0]=4 1405 B13R1.654 COCCNCCc1scnc1C 2230a_100000209980_100000057103 [1,1,0,0,0,0|1,0,1]=4 1406 B13R1.654 COCCNCCc1scnc1C 2230a_100000238517_100011201679 [1,1,0,0,0,0|1,0,1]=4 1407 B13R1.654 COCCNCCc1scnc1C 34a_100000238517_100011201679 [1,1,0,0,0,0|1,0,1]=4 1408 B13R1.654 COCCOCCc1scnc1C 34a_100000210237_100000057103 [1,1,0,0,0,0|0,0,1]=3 1409 B13R1.654 COCCOCCc1scnc1C 34a_100000211055_100011201679 [1,1,0,0,0,0|0,0,1]=3 1410 B13R1.654 COCCOCCc1scnc1C 7a_100000211055_100000233755 [1,1,0,0,0,0|0,0,1]=3 1411 B13R1.654 COCCOCSc1scnc1C 62a_100000231047_100009817116 [1,1,0,0,0,0|1,0,1]=4 1412 B13R1.654 COCCOCSc1scnc1C 62a_100009817116_100000231047 [1,1,0,0,0,0|1,0,1]=4 1413 B13R1.654 COCCSCCc1scnc1C 62a_100000057103_100000233755 [1,1,0,0,0,0|0,1,1]=4 1414 B13R1.654 COCCSCCc1scnc1C 62a_100000233755_100000057103 [1,1,0,0,0,0|0,1,1]=4 1415 B13R1.654 CSCCNCCc1scnc1C 2230a_100000238517_100000751147 [1,1,0,0,0,0|1,0,1]=4 1416 B13R1.654 CSCCNCCc1scnc1C 2230a_100020590264_100000057103 [1,1,0,0,0,0|1,0,1]=4 1417 B13R1.654 CSCCNCCc1scnc1C 34a_100000238517_100000212216 [1,1,0,0,0,0|1,0,1]=4 1418 B13R1.654 CSCCOCCc1scnc1C 34a_100000211055_100000212216 [1,1,0,0,0,0|0,0,1]=3 1419 B13R1.654 CSCCOCCc1scnc1C 34a_100000230434_100000057103 [1,1,0,0,0,0|0,0,1]=3 1420 B13R1.654 CSCCOCCc1scnc1C 7a_100000211055_100000212216 [1,1,0,0,0,0|0,0,1]=3 1421 B13R1.654 CSCCOCCc1scnc1C 7a_100000230434_100000057103 [1,1,0,0,0,0|0,0,1]=3 1422 B13R1.654 CSCCSCCc1scnc1C 62a_100000057103_100000751147 [1,1,0,0,0,0|0,1,1]=4 1423 B13R1.654 CSCCSCCc1scnc1C 62a_100000212216_100000057103 [1,1,0,0,0,0|0,1,1]=4 1424 B13R1.654 Cc1ncsc1CCNCCCF 2230a_100000238517_100011934791 [1,1,0,0,0,0|1,0,1]=4 1425 B13R1.654 Cc1ncsc1CCNCCCF 2230a_100015189416_100000057103 [1,1,0,0,0,0|1,0,1]=4 1426 B13R1.654 Cc1ncsc1CCNCCCF 34a_100000238517_100011934791 [1,1,0,0,0,0|1,0,1]=4 1427 B13R1.654 Cc1ncsc1CCNCCCF 34a_100015189416_100000057103 [1,1,0,0,0,0|1,0,1]=4 1428 B13R1.654 Cc1ncsc1CCNCCCO 2230a_100000238517_100000230001 [1,1,0,0,0,0|1,0,1]=4 1429 B13R1.654 Cc1ncsc1CCNCCCO 34a_100000238517_100000230001 [1,1,0,0,0,0|1,0,1]=4 1430 B13R1.654 Cc1ncsc1CCOCCC#N 7a_100000211055_100000184422 [1,1,0,0,0,0|0,0,2]=4 1431 B13R1.654 Cc1ncsc1CCOCCCBr 34a_100011217188_100000057103 [1,1,0,0,0,0|0,0,1]=3 1432 B13R1.654 Cc1ncsc1CCOCCCCl 34a_100000230001_100000057103 [1,1,0,0,0,0|0,0,1]=3 1433 B13R1.654 Cc1ncsc1CCOCCCF 34a_100000211055_100011934791 [1,1,0,0,0,0|0,0,1]=3 1434 B13R1.654 Cc1ncsc1CCOCCCF 34a_100000759539_100000057103 [1,1,0,0,0,0|0,0,1]=3 1435 B13R1.654 Cc1ncsc1CCOCCCF 7a_100000211055_100011934791 [1,1,0,0,0,0|0,0,1]=3 1436 B13R1.654 Cc1ncsc1CCOCCCN 34a_100000182051_100000057103 [1,1,0,0,0,0|0,0,1]=3 1437 B13R1.654 Cc1ncsc1CCOCCCO 34a_100000211055_100000230001 [1,1,0,0,0,0|0,0,1]=3 1438 B13R1.654 Cc1ncsc1CCOCCCO 7a_100000211055_100011215043 [1,1,0,0,0,0|0,0,1]=3 1439 B13R1.654 Cc1ncsc1CCOCCON 34a_100000700252_100000057103 [1,1,0,0,0,0|1,0,1]=4 1440 B13R1.654 Cc1ncsc1CCSCCCF 62a_100000057103_100011934791 [1,1,0,0,0,0|0,1,1]=4 1441 B13R1.654 Cc1ncsc1CCSCCCF 62a_100011934791_100000057103 [1,1,0,0,0,0|0,1,1]=4 1442 B13R1.654 Cc1ncsc1CCSCCCO 62a_100000057103_100011215043 [1,1,0,0,0,0|0,1,1]=4 1443 B13R1.654 Cc1ncsc1CCSCCCO 62a_100011215043_100000057103 [1,1,0,0,0,0|0,1,1]=4 1444 B13R1.654 Cc1ncsc1SCCOCCO 62a_100009817116_100011215305 [1,1,0,0,0,0|1,0,1]=4 1445 B13R1.654 Cc1ncsc1SCCOCCO 62a_100011215305_100009817116 [1,1,0,0,0,0|1,0,1]=4 1446 B13R1.3440 CCCOCCc1sc[n+](c1C)C 34a_100000085727_100000210303 [1,1,0,0,0,0|0,0,2]=4 1447 B13R1.3440 CCCOCCc1sc[n+](c1C)C 7a_100000085727_100000210303 [1,1,0,0,0,0|0,0,2]=4 1448 B13R1.252 CCS(=O)(=O)NCCc1cncs1 270084a_100016991637_100000211323 [1,1,0,0,0,0|2,0,0]=4 1449 B13R1.252 CCS(=O)(=O)NCCc1cncs1 274078a_100016991637_100000211323 [1,1,0,0,0,0|2,0,0]=4 1450 B13R1.252 CCS(=O)(=O)NCCc1cncs1 40a_100016991637_100000053943 [1,1,0,0,0,0|2,0,0]=4 1451 B13R1.404 C#CCC(=O)NCCc1cncs1 1626a_100016991637_100011220946 [1,1,0,0,0,0|1,0,1]=4 1452 B13R1.404 C#CCC(=O)NCCc1cncs1 527a_100016991637_100011220946 [1,1,0,0,0,0|1,0,1]=4 1453 B13R1.404 C=CCC(=O)NCCc1cncs1 11a_100016991637_100000210193 [1,1,0,0,0,0|1,0,1]=4 1454 B13R1.404 C=CCC(=O)NCCc1cncs1 1626a_100016991637_100000210193 [1,1,0,0,0,0|1,0,1]=4 1455 B13R1.404 C=CCC(=O)NCCc1cncs1 240690a_100016991637_100000210193 [1,1,0,0,0,0|1,0,1]=4 1456 B13R1.404 C=CCC(=O)NCCc1cncs1 527a_100016991637_100000210193 [1,1,0,0,0,0|1,0,1]=4 1457 B13R1.404 CC=CC(=O)NCCc1cncs1 11a_100016991637_100000210699 [1,1,0,0,0,0|1,0,1]=4 1458 B13R1.404 CC=CC(=O)NCCc1cncs1 1626a_100016991637_100000210699 [1,1,0,0,0,0|1,0,1]=4 1459 B13R1.404 CC=CC(=O)NCCc1cncs1 240690a_100016991637_100000210699 [1,1,0,0,0,0|1,0,1]=4 1460 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000184482_100000210303 [1,1,0,0,0,0|2,0,0]=4 1461 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000211992_100010992444 [1,1,0,0,0,0|2,0,0]=4 1462 B13R1.404 CCCC(=O)CNCc1cncs1 2230a_100016987365_100000747444 [1,1,0,0,0,0|2,0,0]=4 1463 B13R1.404 CCCC(=O)CSCc1cncs1 62a_100000747444_100015185245 [1,1,0,0,0,0|2,0,0]=4 1464 B13R1.404 CCCC(=O)CSCc1cncs1 62a_100015185245_100000747444 [1,1,0,0,0,0|2,0,0]=4 1465 B13R1.404 CCCC(=O)NCCc1cccs1 11a_100000203755_100000211992 [1,1,0,0,0,0|2,0,0]=4 1466 B13R1.404 CCCC(=O)NCCc1cccs1 1626a_100000203755_100000211992 [1,1,0,0,0,0|2,0,0]=4 1467 B13R1.404 CCCC(=O)NCCc1cccs1 240690a_100000203755_100000211992 [1,1,0,0,0,0|2,0,0]=4 1468 B13R1.404 CCCC(=O)NCCc1cccs1 527a_100000203755_100000211992 [1,1,0,0,0,0|2,0,0]=4 1469 B13R1.404 CCCC(=O)NCCc1cncs1 11a_100016991637_100000211992 [1,1,0,0,0,0|1,0,0]=3 1470 B13R1.404 CCCC(=O)NCCc1cncs1 1626a_100016991637_100000211992 [1,1,0,0,0,0|1,0,0]=3 1471 B13R1.404 CCCC(=O)NCCc1cncs1 240690a_100016991637_100000211992 [1,1,0,0,0,0|1,0,0]=3 1472 B13R1.404 CCCC(=O)NCCc1cncs1 527a_100016991637_100000211992 [1,1,0,0,0,0|1,0,0]=3 1473 B13R1.404 CCCC(=O)OCSc1cccs1 62a_100011215356_100000034017 [1,1,0,0,0,0|2,0,0]=4 1474 B13R1.404 CCCC(=O)OCSc1cnco1 62a_100020591547_100000034017 [1,1,0,0,0,0|1,1,0]=4 1475 B13R1.404 CCCC(=O)OCSc1cncs1 62a_100011934649_100000034017 [1,1,0,0,0,0|1,0,0]=3 1476 B13R1.404 CCCC(=O)OCSc1nncs1 62a_100000739804_100000034017 [1,1,0,0,0,0|2,0,0]=4 1477 B13R1.404 CCNC(=O)CCCc1cccs1 11a_100015525214_100000184482 [1,1,0,0,0,0|2,0,0]=4 1478 B13R1.404 CCNC(=O)CCCc1cccs1 240690a_100015525214_100000184482 [1,1,0,0,0,0|2,0,0]=4 1479 B13R1.404 CCNC(=O)CCCc1cccs1 527a_100015525214_100000184482 [1,1,0,0,0,0|2,0,0]=4 1480 B13R1.404 CCNC(=O)CCSc1cncs1 62a_100000737597_100011934649 [1,1,0,0,0,0|2,0,0]=4 1481 B13R1.404 CCNC(=O)CCSc1cncs1 62a_100011934649_100000737597 [1,1,0,0,0,0|2,0,0]=4 1482 B13R1.404 CCNC(=O)CNCc1cncs1 2230a_100016987365_100000183381 [1,1,0,0,0,0|2,0,0]=4 1483 B13R1.404 CCNC(=O)CNCc1cncs1 2230a_100016988866_100015185245 [1,1,0,0,0,0|2,0,0]=4 1484 B13R1.404 CCNC(=O)CNCc1cncs1 270004a_100016988866_100000749870 [1,1,0,0,0,0|2,0,0]=4 1485 B13R1.404 CCNC(=O)CSCc1cncs1 62a_100000183381_100015185245 [1,1,0,0,0,0|2,0,0]=4 1486 B13R1.404 CCNC(=O)CSCc1cncs1 62a_100015185245_100000183381 [1,1,0,0,0,0|2,0,0]=4 1487 B13R1.404 CCNC(=O)NCCc1cccs1 2708a_100000203755_100015525214 [1,1,0,0,0,0|2,0,0]=4 1488 B13R1.404 CCNC(=O)NCCc1cccs1 2708a_100015525214_100000203755 [1,1,0,0,0,0|2,0,0]=4 1489 B13R1.404 CCNC(=O)NCCc1cccs1 273464a_100000203755_100015525214 [1,1,0,0,0,0|2,0,0]=4 1490 B13R1.404 CCNC(=O)NCCc1cccs1 273464a_100015525214_100000203755 [1,1,0,0,0,0|2,0,0]=4 1491 B13R1.404 CCNC(=O)NCCc1cccs1 512a_100000203755_100015525214 [1,1,0,0,0,0|2,0,0]=4 1492 B13R1.404 CCNC(=O)NCCc1cccs1 512a_100015525214_100000203755 [1,1,0,0,0,0|2,0,0]=4 1493 B13R1.404 CCNC(=O)NCCc1cncs1 2708a_100015525214_100016991637 [1,1,0,0,0,0|1,0,0]=3 1494 B13R1.404 CCNC(=O)NCCc1cncs1 2708a_100016991637_100015525214 [1,1,0,0,0,0|1,0,0]=3 1495 B13R1.404 CCNC(=O)NCCc1cncs1 273464a_100015525214_100016991637 [1,1,0,0,0,0|1,0,0]=3 1496 B13R1.404 CCNC(=O)NCCc1cncs1 273464a_100016991637_100015525214 [1,1,0,0,0,0|1,0,0]=3 1497 B13R1.404 CCNC(=O)NCCc1cncs1 512a_100015525214_100016991637 [1,1,0,0,0,0|1,0,0]=3 1498 B13R1.404 CCNC(=O)NCCc1cncs1 512a_100016991637_100015525214 [1,1,0,0,0,0|1,0,0]=3 1499 B13R1.404 CCOC(=O)CCSc1cncs1 62a_100000765890_100011934649 [1,1,0,0,0,0|2,0,0]=4 1500 B13R1.404 CCOC(=O)CCSc1cncs1 62a_100011934649_100000765890 [1,1,0,0,0,0|2,0,0]=4 1501 B13R1.404 CCOC(=O)CNCc1cncs1 2230a_100016987365_100000188475 [1,1,0,0,0,0|2,0,0]=4 1502 B13R1.404 CCOC(=O)CSCc1cncs1 62a_100000188475_100015185245 [1,1,0,0,0,0|2,0,0]=4 1503 B13R1.404 CCOC(=O)CSCc1cncs1 62a_100015185245_100000188475 [1,1,0,0,0,0|2,0,0]=4 1504 B13R1.404 CCOC(=O)OCSc1cccs1 62a_100011215356_100000075025 [1,1,0,0,0,0|2,0,0]=4 1505 B13R1.404 CCOC(=O)OCSc1cnco1 62a_100020591547_100000075025 [1,1,0,0,0,0|1,1,0]=4 1506 B13R1.404 CCOC(=O)OCSc1cncs1 62a_100011934649_100000075025 [1,1,0,0,0,0|1,0,0]=3 1507 B13R1.404 CCOC(=O)OCSc1nncs1 62a_100000739804_100000075025 [1,1,0,0,0,0|2,0,0]=4 1508 B13R1.404 CNCC(=O)NCCc1cccs1 2230a_106832991635_100000198571 [1,1,0,0,0,0|2,0,0]=4 1509 B13R1.404 CNCC(=O)NCCc1cccs1 34a_100102657272_100000198571 [1,1,0,0,0,0|2,0,0]=4 1510 B13R1.404 CNCC(=O)NCCc1cccs1 7a_106832991635_100000198571 [1,1,0,0,0,0|2,0,0]=4 1511 B13R1.404 CNNC(=O)NCCc1cncs1 273464a_100016991637_100016993582 [1,1,0,0,0,0|2,0,0]=4 1512 B13R1.404 CNNC(=O)NCCc1cncs1 512a_100016991637_100016993582 [1,1,0,0,0,0|2,0,0]=4 1513 B13R1.404 CNNC(=O)NCCc1cncs1 512a_100016993582_100016991637 [1,1,0,0,0,0|2,0,0]=4 1514 B13R1.404 COCC(=O)CCCc1cccs1 1458a_100000210968_100010992444 [1,1,0,0,0,0|2,0,0]=4 1515 B13R1.404 COCC(=O)NCCc1cccs1 11a_100000203755_100000210968 [1,1,0,0,0,0|2,0,0]=4 1516 B13R1.404 COCC(=O)NCCc1cccs1 1626a_100000203755_100000210968 [1,1,0,0,0,0|2,0,0]=4 1517 B13R1.404 COCC(=O)NCCc1cccs1 240690a_100000203755_100000210968 [1,1,0,0,0,0|2,0,0]=4 1518 B13R1.404 COCC(=O)NCCc1cccs1 34a_100138415774_100000198571 [1,1,0,0,0,0|2,0,0]=4 1519 B13R1.404 COCC(=O)NCCc1cccs1 527a_100000203755_100000210968 [1,1,0,0,0,0|2,0,0]=4 1520 B13R1.404 COCC(=O)NCCc1cncs1 11a_100016991637_100000210968 [1,1,0,0,0,0|1,0,0]=3 1521 B13R1.404 COCC(=O)NCCc1cncs1 1626a_100016991637_100000210968 [1,1,0,0,0,0|1,0,0]=3 1522 B13R1.404 COCC(=O)NCCc1cncs1 240690a_100016991637_100000210968 [1,1,0,0,0,0|1,0,0]=3 1523 B13R1.404 COCC(=O)NCCc1cncs1 527a_100016991637_100000210968 [1,1,0,0,0,0|1,0,0]=3 1524 B13R1.404 CSCC(=O)CCCc1cccs1 1458a_100000184570_100010992444 [1,1,0,0,0,0|2,0,0]=4 1525 B13R1.404 CSCC(=O)NCCc1cccs1 11a_100000203755_100000184570 [1,1,0,0,0,0|2,0,0]=4 1526 B13R1.404 CSCC(=O)NCCc1cccs1 1626a_100000203755_100000184570 [1,1,0,0,0,0|2,0,0]=4 1527 B13R1.404 CSCC(=O)NCCc1cccs1 240690a_100000203755_100000184570 [1,1,0,0,0,0|2,0,0]=4 1528 B13R1.404 CSCC(=O)NCCc1cccs1 527a_100000203755_100000184570 [1,1,0,0,0,0|2,0,0]=4 1529 B13R1.404 CSCC(=O)NCCc1cccs1 62a_100000198571_200000210301 [1,1,0,0,0,0|2,0,0]=4 1530 B13R1.404 CSCC(=O)NCCc1cccs1 62a_200000210301_100000198571 [1,1,0,0,0,0|2,0,0]=4 1531 B13R1.404 CSCC(=O)NCCc1cncs1 11a_100016991637_100000184570 [1,1,0,0,0,0|1,0,0]=3 1532 B13R1.404 CSCC(=O)NCCc1cncs1 1626a_100016991637_100000184570 [1,1,0,0,0,0|1,0,0]=3 1533 B13R1.404 CSCC(=O)NCCc1cncs1 240690a_100016991637_100000184570 [1,1,0,0,0,0|1,0,0]=3 1534 B13R1.404 CSCC(=O)NCCc1cncs1 527a_100016991637_100000184570 [1,1,0,0,0,0|1,0,0]=3 1535 B13R1.404 N#CCC(=O)NCCc1cncs1 1626a_100016991637_100051588842 [1,1,0,0,0,0|1,0,1]=4 1536 B13R1.404 N#CCC(=O)NCCc1cncs1 240690a_100016991637_100051588842 [1,1,0,0,0,0|1,0,1]=4 1537 B13R1.404 O=C(CCF)CCCc1cccs1 1458a_100000184482_100011217306 [1,1,0,0,0,0|2,0,0]=4 1538 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100000184482_100000211926 [1,1,0,0,0,0|2,0,0]=4 1539 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100011216618_100010992444 [1,1,0,0,0,0|2,0,0]=4 1540 B13R1.404 O=C(CCO)NCCc1cccs1 240690a_100000203755_100011216618 [1,1,0,0,0,0|2,0,0]=4 1541 B13R1.404 O=C(CCO)NCCc1cncs1 240690a_100016991637_100011216618 [1,1,0,0,0,0|1,0,0]=3 1542 B13R1.404 [13CH3]SCC(=O)NCCc1cccs1 62a_100000198571_200025704644 [1,1,0,0,0,0|2,0,0]=4 1543 B13R1.404 [13CH3]SCC(=O)NCCc1cccs1 62a_200025704644_100000198571 [1,1,0,0,0,0|2,0,0]=4 1544 B13R1.545 CCC(=O)NC(C)Cc1cccs1 11a_100000751415_100000210414 [1,1,0,0,0,0|2,0,0]=4 1545 B13R1.545 CCC(=O)NC(C)Cc1cccs1 1626a_100000751415_100000210414 [1,1,0,0,0,0|2,0,0]=4 1546 B13R1.545 CCC(=O)NC(C)Cc1cccs1 240690a_100000751415_100000210414 [1,1,0,0,0,0|2,0,0]=4 1547 B13R1.545 CCC(=O)NC(C)Cc1cccs1 527a_100000751415_100000210414 [1,1,0,0,0,0|2,0,0]=4 1548 B13R1.554 CCC(=O)C(C)NCc1cncs1 2230a_100016987365_100000742827 [1,1,0,0,0,0|2,0,0]=4 1549 B13R1.554 CCC(=O)C(C)SCc1cncs1 62a_100000742827_100015185245 [1,1,0,0,0,0|2,0,0]=4 1550 B13R1.554 CCC(=O)C(C)SCc1cncs1 62a_100015185245_100000742827 [1,1,0,0,0,0|2,0,0]=4 1551 B13R1.717 CCC(=O)COCc1cnc(s1)Br 34a_100000725409_100000717027 [1,1,0,0,0,0|2,0,0]=4 1552 B13R1.717 CCC(=O)COCc1cnc(s1)Br 7a_100009816753_100000747405 [1,1,0,0,0,0|2,0,0]=4 1553 B13R1.717 CCC(=O)COCc1cnc(s1)C 34a_100000725409_100020635045 [1,1,0,0,0,0|2,0,0]=4 1554 B13R1.717 CCC(=O)COCc1cnc(s1)C 7a_100000743366_100000747405 [1,1,0,0,0,0|2,0,0]=4 1555 B13R1.717 CCC(=O)COCc1cnc(s1)Cl 34a_100000725409_100000058068 [1,1,0,0,0,0|2,0,0]=4 1556 B13R1.717 CCC(=O)COCc1cnc(s1)Cl 7a_100000697714_100000747405 [1,1,0,0,0,0|2,0,0]=4 1557 B13R1.717 CCC(=O)COCc1cnc(s1)N 7a_100011997359_100000747405 [1,1,0,0,0,0|2,0,0]=4 1558 B13R1.717 CCC(=O)CSCc1cnc(s1)Br 62a_100000717027_100000747405 [1,1,0,0,0,0|2,0,0]=4 1559 B13R1.717 CCC(=O)CSCc1cnc(s1)Br 62a_100000747405_100000717027 [1,1,0,0,0,0|2,0,0]=4 1560 B13R1.717 CCC(=O)CSCc1cnc(s1)C 62a_100000747405_100020635045 [1,1,0,0,0,0|2,0,0]=4 1561 B13R1.717 CCC(=O)CSCc1cnc(s1)C 62a_100020635045_100000747405 [1,1,0,0,0,0|2,0,0]=4 1562 B13R1.717 CCC(=O)CSCc1cnc(s1)Cl 62a_100000058068_100000747405 [1,1,0,0,0,0|2,0,0]=4 1563 B13R1.717 CCC(=O)CSCc1cnc(s1)Cl 62a_100000747405_100000058068 [1,1,0,0,0,0|2,0,0]=4 1564 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 11a_100000217605_100000210414 [1,1,0,0,0,0|2,0,0]=4 1565 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100000210414 [1,1,0,0,0,0|2,0,0]=4 1566 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100000210414 [1,1,0,0,0,0|2,0,0]=4 1567 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 527a_100000217605_100000210414 [1,1,0,0,0,0|2,0,0]=4 1568 B13R1.717 CCC(=O)NCCc1nnc(s1)C 11a_100000733084_100000210414 [1,1,0,0,0,0|2,0,0]=4 1569 B13R1.717 CCC(=O)NCCc1nnc(s1)C 1626a_100000733084_100000210414 [1,1,0,0,0,0|2,0,0]=4 1570 B13R1.717 CCC(=O)NCCc1nnc(s1)C 240690a_100000733084_100000210414 [1,1,0,0,0,0|2,0,0]=4 1571 B13R1.717 CCC(=O)NCCc1nnc(s1)C 527a_100000733084_100000210414 [1,1,0,0,0,0|2,0,0]=4 1572 B13R1.717 CCC(C)OCCc1cnc(s1)N 7a_100000124125_100000758301 [1,1,0,0,0,0|1,0,1]=4 1573 B13R1.717 COC(=O)OCSc1cnc(s1)Br 62a_100012357534_100000139417 [1,1,0,0,0,0|2,0,0]=4 1574 B13R1.717 COC(=O)OCSc1cnc(s1)C 62a_100000764884_100000139417 [1,1,0,0,0,0|2,0,0]=4 1575 B13R1.717 COC(=O)OCSc1cnc(s1)N 62a_100000718969_100000139417 [1,1,0,0,0,0|2,0,0]=4 1576 B13R1.1110 C=C(C)C(=O)NCCc1cncs1 11a_100016991637_100000185857 [1,1,0,0,0,0|1,0,1]=4 1577 B13R1.1110 C=C(C)C(=O)NCCc1cncs1 1626a_100016991637_100000185857 [1,1,0,0,0,0|1,0,1]=4 1578 B13R1.1110 CC(C)C(=O)CCCc1cccs1 1458a_100000184482_100000210206 [1,1,0,0,0,0|2,0,0]=4 1579 B13R1.1110 CC(C)C(=O)CCCc1cccs1 1458a_100000210198_100010992444 [1,1,0,0,0,0|2,0,0]=4 1580 B13R1.1110 CC(C)C(=O)CNCc1cncs1 2230a_100016987365_100000753385 [1,1,0,0,0,0|2,0,0]=4 1581 B13R1.1110 CC(C)C(=O)CSCc1cncs1 62a_100000753385_100015185245 [1,1,0,0,0,0|2,0,0]=4 1582 B13R1.1110 CC(C)C(=O)CSCc1cncs1 62a_100015185245_100000753385 [1,1,0,0,0,0|2,0,0]=4 1583 B13R1.1110 CC(C)C(=O)NCCc1cccs1 11a_100000203755_100000210198 [1,1,0,0,0,0|2,0,0]=4 1584 B13R1.1110 CC(C)C(=O)NCCc1cccs1 1626a_100000203755_100000210198 [1,1,0,0,0,0|2,0,0]=4 1585 B13R1.1110 CC(C)C(=O)NCCc1cccs1 240690a_100000203755_100000210198 [1,1,0,0,0,0|2,0,0]=4 1586 B13R1.1110 CC(C)C(=O)NCCc1cccs1 527a_100000203755_100000210198 [1,1,0,0,0,0|2,0,0]=4 1587 B13R1.1110 CC(C)C(=O)NCCc1cncs1 11a_100016991637_100000210198 [1,1,0,0,0,0|1,0,0]=3 1588 B13R1.1110 CC(C)C(=O)NCCc1cncs1 1626a_100016991637_100000210198 [1,1,0,0,0,0|1,0,0]=3 1589 B13R1.1110 CC(C)C(=O)NCCc1cncs1 240690a_100016991637_100000210198 [1,1,0,0,0,0|1,0,0]=3 1590 B13R1.1110 CC(C)C(=O)NCCc1cncs1 527a_100016991637_100000210198 [1,1,0,0,0,0|1,0,0]=3 1591 B13R1.1110 CC(C)C(=O)OCSc1cccs1 62a_100000139345_100011215356 [1,1,0,0,0,0|2,0,0]=4 1592 B13R1.1110 CC(C)C(=O)OCSc1cccs1 62a_100011215356_100000139345 [1,1,0,0,0,0|2,0,0]=4 1593 B13R1.1110 CC(C)C(=O)OCSc1cnco1 62a_100000139345_100020591547 [1,1,0,0,0,0|1,1,0]=4 1594 B13R1.1110 CC(C)C(=O)OCSc1cnco1 62a_100020591547_100000139345 [1,1,0,0,0,0|1,1,0]=4 1595 B13R1.1110 CC(C)C(=O)OCSc1cncs1 62a_100000139345_100011934649 [1,1,0,0,0,0|1,0,0]=3 1596 B13R1.1110 CC(C)C(=O)OCSc1cncs1 62a_100011934649_100000139345 [1,1,0,0,0,0|1,0,0]=3 1597 B13R1.1110 CC(C)C(=O)OCSc1nncs1 62a_100000139345_100000739804 [1,1,0,0,0,0|2,0,0]=4 1598 B13R1.1110 CC(C)C(=O)OCSc1nncs1 62a_100000739804_100000139345 [1,1,0,0,0,0|2,0,0]=4 1599 B13R1.1110 CC(F)C(=O)CCCc1cccs1 1458a_100000062450_100010992444 [1,1,0,0,0,0|2,0,0]=4 1600 B13R1.1110 CC(F)C(=O)NCCc1cccs1 11a_100000203755_100000062450 [1,1,0,0,0,0|2,0,0]=4 1601 B13R1.1110 CC(F)C(=O)NCCc1cccs1 1626a_100000203755_100000062450 [1,1,0,0,0,0|2,0,0]=4 1602 B13R1.1110 CC(F)C(=O)NCCc1cccs1 240690a_100000203755_100000062450 [1,1,0,0,0,0|2,0,0]=4 1603 B13R1.1110 CC(F)C(=O)NCCc1cccs1 527a_100000203755_100000062450 [1,1,0,0,0,0|2,0,0]=4 1604 B13R1.1110 CC(F)C(=O)NCCc1cncs1 11a_100016991637_100000062450 [1,1,0,0,0,0|1,0,0]=3 1605 B13R1.1110 CC(F)C(=O)NCCc1cncs1 1626a_100016991637_100000062450 [1,1,0,0,0,0|1,0,0]=3 1606 B13R1.1110 CC(F)C(=O)NCCc1cncs1 240690a_100016991637_100000062450 [1,1,0,0,0,0|1,0,0]=3 1607 B13R1.1110 CC(F)C(=O)NCCc1cncs1 527a_100016991637_100000062450 [1,1,0,0,0,0|1,0,0]=3 1608 B13R1.1110 CN(C)C(=O)NCCc1cncs1 2708a_100016991637_100102631434 [1,1,0,0,0,0|2,0,0]=4 1609 B13R1.1110 C[C@@H](O)C(=O)CCCc1cccs1 1458a_100000717761_100010992444 [1,1,0,0,0,0|2,0,0]=4 1610 B13R1.1110 C[C@@H](O)C(=O)NCCc1cccs1 240690a_100000203755_100000717761 [1,1,0,0,0,0|2,0,0]=4 1611 B13R1.1110 C[C@@H](O)C(=O)NCCc1cncs1 240690a_100016991637_100000717761 [1,1,0,0,0,0|1,0,0]=3 1612 B13R1.1110 C[C@H](O)C(=O)CCCc1cccs1 1458a_217856618621_100010992444 [1,1,0,0,0,0|2,0,0]=4 1613 B13R1.1110 C[C@H](O)C(=O)NCCc1cccs1 1626a_100000203755_217856618621 [1,1,0,0,0,0|2,0,0]=4 1614 B13R1.1110 C[C@H](O)C(=O)NCCc1cccs1 240690a_100000203755_217856618621 [1,1,0,0,0,0|2,0,0]=4 1615 B13R1.1110 C[C@H](O)C(=O)NCCc1cncs1 1626a_100016991637_217856618621 [1,1,0,0,0,0|1,0,0]=3 1616 B13R1.1110 C[C@H](O)C(=O)NCCc1cncs1 240690a_100016991637_217856618621 [1,1,0,0,0,0|1,0,0]=3 1617 B13R1.1110 O=C(NCCc1cncs1)C(F)F 11a_100016991637_100000210393 [1,1,0,0,0,0|2,0,0]=4 1618 B13R1.1110 O=C(NCCc1cncs1)C(F)F 1626a_100016991637_100000210393 [1,1,0,0,0,0|2,0,0]=4 1619 B13R1.1110 O=C(NCCc1cncs1)C(F)F 240690a_100016991637_100000210393 [1,1,0,0,0,0|2,0,0]=4 1620 B13R1.1110 O=C(NCCc1cncs1)C(F)F 527a_100016991637_100000210393 [1,1,0,0,0,0|2,0,0]=4 1621 B13R1.1110 O=C(NCCc1cncs1)C(O)O 240690a_100016991637_100000233687 [1,1,0,0,0,0|2,0,0]=4 1622 B13R1.256 CCC(C)(C)OCc1scnc1C 7a_100000750112_100000210677 [0,1,0,0,1,0|1,0,1]=4 1623 B13R1.256 CCS(=O)(=O)NCc1scnc1C 270084a_100000752186_100000211323 [0,1,0,0,1,0|2,0,0]=4 1624 B13R1.256 CCS(=O)(=O)NCc1scnc1C 274078a_100000752186_100000211323 [0,1,0,0,1,0|2,0,0]=4 1625 B13R1.256 CCS(=O)(=O)NCc1scnc1C 40a_100000752186_100000053943 [0,1,0,0,1,0|2,0,0]=4 1626 B13R1.316 CCC(CC)OCc1scnc1C 7a_100000750112_100000210505 [0,1,0,0,1,0|1,0,1]=4 1627 B13R1.316 CCN(CC)CCc1scnc1C 2230a_100000724800_100000057103 [0,1,0,0,1,0|2,0,0]=4 1628 B13R1.316 CCN(CC)CCc1scnc1C 269956a_100000042499_100000057103 [0,1,0,0,1,0|2,0,0]=4 1629 B13R1.316 CCN(CC)CCc1scnc1C 269982a_100000724800_100000057103 [0,1,0,0,1,0|2,0,0]=4 1630 B13R1.596 CCC(=O)CCn1nc(nc1C)C 1458a_100000740236_100000210202 [0,1,0,0,1,0|2,0,0]=4 1631 B13R1.596 CCC(=O)CSc1sc(cc1C)C 62a_100000689295_100000747405 [0,1,0,0,1,0|2,0,0]=4 1632 B13R1.596 CCC(=O)CSc1sc(cc1C)C 62a_100000747405_100000689295 [0,1,0,0,1,0|2,0,0]=4 1633 B13R1.596 CCC(=O)CSc1sc(nc1C)C 62a_100000747405_100009814099 [0,1,0,0,1,0|1,0,0]=3 1634 B13R1.596 CCC(=O)CSc1sc(nc1C)C 62a_100009814099_100000747405 [0,1,0,0,1,0|1,0,0]=3 1635 B13R1.596 CCC(=O)CSc1sc(nc1C)N 62a_100000747405_100159269596 [0,1,0,0,1,0|1,0,0]=3 1636 B13R1.596 CCC(=O)CSc1sc(nc1C)N 62a_100159269596_100000747405 [0,1,0,0,1,0|1,0,0]=3 1637 B13R1.596 CCC(=O)NCc1sc(nc1C)C 11a_100000761763_100000210414 [0,1,0,0,1,0|1,0,0]=3 1638 B13R1.596 CCC(=O)NCc1sc(nc1C)C 1626a_100000761763_100000210414 [0,1,0,0,1,0|1,0,0]=3 1639 B13R1.596 CCC(=O)NCc1sc(nc1C)C 240690a_100000761763_100000210414 [0,1,0,0,1,0|1,0,0]=3 1640 B13R1.596 CCC(=O)NCc1sc(nc1C)C 527a_100000761763_100000210414 [0,1,0,0,1,0|1,0,0]=3 1641 B13R1.596 CCC(C)OCc1sc(nc1C)Br 7a_100010264302_100000758301 [0,1,0,0,1,0|1,0,1]=4 1642 B13R1.596 CCC(C)OCc1sc(nc1C)C 34a_100000750043_100011215416 [0,1,0,0,1,0|1,0,1]=4 1643 B13R1.596 CCC(C)OCc1sc(nc1C)C 7a_100000210228_100000760948 [0,1,0,0,1,0|1,0,1]=4 1644 B13R1.596 CCC(C)OCc1sc(nc1C)C 7a_100000750043_100000758301 [0,1,0,0,1,0|1,0,1]=4 1645 B13R1.596 CNC(=O)CSc1sc(nc1C)C 62a_100000183359_100009814099 [0,1,0,0,1,0|2,0,0]=4 1646 B13R1.596 CNC(=O)CSc1sc(nc1C)C 62a_100009814099_100000183359 [0,1,0,0,1,0|2,0,0]=4 1647 B13R1.596 CNC(=O)CSc1sc(nc1C)N 62a_100000183359_100159269596 [0,1,0,0,1,0|2,0,0]=4 1648 B13R1.596 CNC(=O)CSc1sc(nc1C)N 62a_100159269596_100000183359 [0,1,0,0,1,0|2,0,0]=4 1649 B13R1.596 CNC(=O)NCc1sc(nc1C)C 2708a_100000761763_106832991635 [0,1,0,0,1,0|2,0,0]=4 1650 B13R1.596 CNC(=O)NCc1sc(nc1C)C 2708a_100102657272_100000761763 [0,1,0,0,1,0|2,0,0]=4 1651 B13R1.596 CNC(=O)NCc1sc(nc1C)C 273464a_100000761763_100102657272 [0,1,0,0,1,0|2,0,0]=4 1652 B13R1.596 CNC(=O)NCc1sc(nc1C)C 273464a_100102657272_100000761763 [0,1,0,0,1,0|2,0,0]=4 1653 B13R1.596 CNC(=O)NCc1sc(nc1C)C 512a_100000761763_100102657272 [0,1,0,0,1,0|2,0,0]=4 1654 B13R1.596 CNC(=O)NCc1sc(nc1C)C 512a_106832991638_100000761763 [0,1,0,0,1,0|2,0,0]=4 1655 B13R1.596 COC(=O)CSc1sc(nc1C)C 62a_100000747449_100009814099 [0,1,0,0,1,0|2,0,0]=4 1656 B13R1.596 COC(=O)CSc1sc(nc1C)C 62a_100009814099_100000747449 [0,1,0,0,1,0|2,0,0]=4 1657 B13R1.596 COC(=O)CSc1sc(nc1C)N 62a_100000747449_100159269596 [0,1,0,0,1,0|2,0,0]=4 1658 B13R1.596 COC(=O)CSc1sc(nc1C)N 62a_100159269596_100000747449 [0,1,0,0,1,0|2,0,0]=4 1659 B13R1.596 Cc1nc(c(s1)CNC(=O)CO)C 240690a_100000761763_100000210174 [0,1,0,0,1,0|2,0,0]=4 1660 B13R1.596 Cc1nc(c(s1)CNC(=O)CO)C 527a_100000761763_100000210174 [0,1,0,0,1,0|2,0,0]=4 1661 B13R1.613 CCC(=O)CCn1ccnc1CC 1458a_100000210414_100015185934 [0,1,0,0,1,0|2,0,0]=4 1662 B13R1.613 CCC(=O)CCn1ccnc1CC 1458a_100000740316_100000210202 [0,1,0,0,1,0|2,0,0]=4 1663 B13R1.613 CCC(=O)CSc1sccc1CC 62a_100000747405_200009875468 [0,1,0,0,1,0|2,0,0]=4 1664 B13R1.613 CCC(=O)CSc1sccc1CC 62a_200009875468_100000747405 [0,1,0,0,1,0|2,0,0]=4 1665 B13R1.613 CCC(=O)CSc1sccc1CN 62a_100000727803_100000747405 [0,1,0,0,1,0|2,0,0]=4 1666 B13R1.613 CCC(=O)CSc1sccc1CN 62a_100000747405_100000727803 [0,1,0,0,1,0|2,0,0]=4 1667 B13R1.613 CCC(=O)CSc1sccc1CO 62a_100000747405_100009816922 [0,1,0,0,1,0|2,0,0]=4 1668 B13R1.613 CCC(=O)CSc1sccc1CO 62a_100009816922_100000747405 [0,1,0,0,1,0|2,0,0]=4 1669 B13R1.704 CCC(=O)C(C)Sc1sccc1C 62a_100000742827_100010247149 [0,1,0,0,1,0|2,0,0]=4 1670 B13R1.704 CCC(=O)C(C)Sc1sccc1C 62a_100010247149_100000742827 [0,1,0,0,1,0|2,0,0]=4 1671 B13R1.704 CCC(=O)C(C)Sc1scnc1C 62a_100000742827_100009817116 [0,1,0,0,1,0|1,0,0]=3 1672 B13R1.704 CCC(=O)C(C)Sc1scnc1C 62a_100009817116_100000742827 [0,1,0,0,1,0|1,0,0]=3 1673 B13R1.704 CCC(=O)N(C)Cc1sccc1C 11a_100000695154_100000210414 [0,1,0,0,1,0|2,0,0]=4 1674 B13R1.704 CCC(=O)N(C)Cc1sccc1C 1626a_100000695154_100000210414 [0,1,0,0,1,0|2,0,0]=4 1675 B13R1.704 CCC(=O)N(C)Cc1sccc1C 240690a_100000695154_100000210414 [0,1,0,0,1,0|2,0,0]=4 1676 B13R1.704 CCC(=O)N(C)Cc1sccc1C 527a_100000695154_100000210414 [0,1,0,0,1,0|2,0,0]=4 1677 B13R1.704 CNC(=O)C(C)Sc1scnc1C 62a_100000209862_100009817116 [0,1,0,0,1,0|2,0,0]=4 1678 B13R1.704 CNC(=O)C(C)Sc1scnc1C 62a_100009817116_100000731044 [0,1,0,0,1,0|2,0,0]=4 1679 B13R1.704 CNC(=O)C(F)Sc1scnc1C 62a_100009813575_100009817116 [0,1,0,0,1,0|2,0,0]=4 1680 B13R1.704 CNC(=O)C(F)Sc1scnc1C 62a_100009817116_100009813575 [0,1,0,0,1,0|2,0,0]=4 1681 B13R1.704 COC(=O)C(C)Sc1scnc1C 62a_100000211248_100009817116 [0,1,0,0,1,0|2,0,0]=4 1682 B13R1.704 COC(=O)C(C)Sc1scnc1C 62a_100009817116_100000211248 [0,1,0,0,1,0|2,0,0]=4 1683 B13R1.2042 CCC(=O)CCc1c(c[nH]c1C)C 1458a_100102525370_100000210202 [0,1,0,0,1,0|1,0,1]=4 1684 B13R1.2042 CCC(=O)CCc1c(n[nH]c1C)C 1458a_100000189673_100000210202 [0,1,0,0,1,0|2,0,0]=4 1685 B13R1.2042 CCC(=O)CCc1c(n[nH]c1C)C 1458a_100000210414_100011219447 [0,1,0,0,1,0|2,0,0]=4 1686 B13R1.2042 CCC(=O)CCc1c(noc1C)C 1458a_100000189609_100000210202 [0,1,0,0,1,0|2,0,0]=4 1687 B15R1.356 C=C(C)C(=O)OCCSc1sccc1C 62a_100009816335_100010247149 [0,1,0,0,0,1|1,0,1]=4 1688 B15R1.356 C=C(C)C(=O)OCCSc1sccc1C 62a_100010247149_100009816335 [0,1,0,0,0,1|1,0,1]=4 1689 B15R1.356 C=C(C)C(=O)OCCSc1scnc1C 62a_100009816335_100009817116 [0,1,0,0,0,1|0,0,1]=3 1690 B15R1.356 C=C(C)C(=O)OCCSc1scnc1C 62a_100009817116_100009816335 [0,1,0,0,0,1|0,0,1]=3 1691 B15R1.356 CC(=O)C(=O)CNCCc1scnc1C 34a_100000238517_100011261029 [0,1,0,0,0,1|1,0,1]=4 1692 B15R1.356 CC(=O)C(=O)COCCc1scnc1C 34a_100000211055_100011261029 [0,1,0,0,0,1|0,0,1]=3 1693 B15R1.356 CC(=O)C(=O)CSCCc1scnc1C 62a_100000057103_100011261029 [0,1,0,0,0,1|0,1,1]=4 1694 B15R1.356 CC(=O)C(=O)CSCCc1scnc1C 62a_100011261029_100000057103 [0,1,0,0,0,1|0,1,1]=4 1695 B15R1.356 CC(C)C(=O)OCSCc1ccnn1C 62a_100000139345_100000691648 [0,1,0,0,0,1|2,0,0]=4 1696 B15R1.356 CC(C)C(=O)OCSCc1ccnn1C 62a_100000691648_100000139345 [0,1,0,0,0,1|2,0,0]=4 1697 B15R1.356 Cc1[nH]cnc1CSCOC(=O)C(C)C 62a_100000139345_100000751220 [0,1,0,0,0,1|1,0,1]=4 1698 B15R1.356 Cc1[nH]cnc1CSCOC(=O)C(C)C 62a_100000751220_100000139345 [0,1,0,0,0,1|1,0,1]=4 1699 B15R1.356 Cc1nccn1CCOCC(=O)C(C)C 34a_100000702865_100000753385 [0,1,0,0,0,1|2,0,0]=4 1700 B15R1.356 Cc1nccn1CCOCC(=O)C(C)C 7a_100000702865_100000753385 [0,1,0,0,0,1|2,0,0]=4 1701 B15R1.356 Cc1ncsc1CCNCC(=O)C(C)C 2230a_100000238517_100000753385 [0,1,0,0,0,1|1,0,0]=3 1702 B15R1.356 Cc1ncsc1CCNCC(=O)C(C)C 34a_100000238517_100000753385 [0,1,0,0,0,1|1,0,0]=3 1703 B15R1.356 Cc1ncsc1CCNCC(=O)N(C)C 2230a_100000238517_100000185267 [0,1,0,0,0,1|2,0,0]=4 1704 B15R1.356 Cc1ncsc1CCNCC(=O)N(C)C 2230a_100015183351_100000057103 [0,1,0,0,0,1|2,0,0]=4 1705 B15R1.356 Cc1ncsc1CCNCC(=O)N(C)C 34a_100000238517_100000692301 [0,1,0,0,0,1|2,0,0]=4 1706 B15R1.356 Cc1ncsc1CCOCC(=O)C(C)C 34a_100000211055_100000753385 [0,1,0,0,0,1|0,0,0]=2 1707 B15R1.356 Cc1ncsc1CCOCC(=O)C(C)C 7a_100000211055_100000753385 [0,1,0,0,0,1|0,0,0]=2 1708 B15R1.356 Cc1ncsc1CCOCC(=O)N(C)C 34a_100000211055_100000692301 [0,1,0,0,0,1|1,0,0]=3 1709 B15R1.356 Cc1ncsc1CCOCC(=O)N(C)C 7a_100000211055_100000692301 [0,1,0,0,0,1|1,0,0]=3 1710 B15R1.356 Cc1ncsc1CCOC[C@H](N)C(C)C 34a_100011830312_100000057103 [0,1,0,0,0,1|1,0,1]=4 1711 B15R1.356 Cc1ncsc1CCSCC(=O)C(C)C 62a_100000057103_100000753385 [0,1,0,0,0,1|0,1,0]=3 1712 B15R1.356 Cc1ncsc1CCSCC(=O)C(C)C 62a_100000753385_100000057103 [0,1,0,0,0,1|0,1,0]=3 1713 B15R1.356 Cc1ncsc1CCSCC(=O)N(C)C 62a_100000057103_100000692301 [0,1,0,0,0,1|1,1,0]=4 1714 B15R1.356 Cc1ncsc1CCSCC(=O)N(C)C 62a_100000692301_100000057103 [0,1,0,0,0,1|1,1,0]=4 1715 B15R1.356 Cc1ncsc1CNCCC(=O)N(C)C 207a_100000738053_100000764165 [0,1,0,0,0,1|2,0,0]=4 1716 B15R1.356 Cc1ncsc1CNCCC(=O)N(C)C 2230a_100000752186_100000737620 [0,1,0,0,0,1|2,0,0]=4 1717 B15R1.356 Cc1ncsc1COCCC(=O)N(C)C 7a_100000750112_100000737620 [0,1,0,0,0,1|2,0,0]=4 1718 B15R1.356 Cc1ncsc1SCCCC(=O)N(C)C 62a_100000737642_100009817116 [0,1,0,0,0,1|2,0,0]=4 1719 B15R1.356 Cc1ncsc1SCCCC(=O)N(C)C 62a_100009817116_100000737642 [0,1,0,0,0,1|2,0,0]=4 1720 B15R1.356 Cc1nnsc1CSCOC(=O)C(C)C 62a_100000139345_100000732739 [0,1,0,0,0,1|1,0,0]=3 1721 B15R1.356 Cc1nnsc1CSCOC(=O)C(C)C 62a_100000732739_100000139345 [0,1,0,0,0,1|1,0,0]=3 1722 B15R1.356 Cc1nonc1CSCOC(=O)C(C)C 62a_100000139345_200000044682 [0,1,0,0,0,1|2,0,0]=4 1723 B15R1.356 Cc1nonc1CSCOC(=O)C(C)C 62a_200000044682_100000139345 [0,1,0,0,0,1|2,0,0]=4 1724 B15R1.356 Cc1ocnc1CSCOC(=O)C(C)C 62a_100000139345_200000693990 [0,1,0,0,0,1|2,0,0]=4 1725 B15R1.356 Cc1ocnc1CSCOC(=O)C(C)C 62a_200000693990_100000139345 [0,1,0,0,0,1|2,0,0]=4 1726 B15R1.742 CCC(=CC(=O)CCc1scnc1C)C 1458a_100020758463_100000057103 [0,1,0,0,0,1|2,0,0]=4 1727 B15R1.742 CCC(=O)CC(=O)CCc1scnc1C 1458a_100011934404_100000747405 [0,1,0,0,0,1|1,0,0]=3 1728 B15R1.742 CCC(=O)CN(C)CCc1scnc1C 269982a_100025748334_100000747405 [0,1,0,0,0,1|1,0,0]=3 1729 B15R1.742 CNC(=O)CC(=O)CCc1scnc1C 1458a_100011934404_100000183359 [0,1,0,0,0,1|2,0,0]=4 1730 B15R1.742 CNC(=O)CN(C)CCc1scnc1C 2230a_100000189611_100000057103 [0,1,0,0,0,1|2,0,0]=4 1731 B15R1.742 CNC(=O)CN(C)CCc1scnc1C 2230a_100025748334_100000183359 [0,1,0,0,0,1|2,0,0]=4 1732 B15R1.742 CNC(=O)CN(C)CCc1scnc1C 269982a_100025748334_100000183359 [0,1,0,0,0,1|2,0,0]=4 1733 B15R1.742 COC(=O)CC(=O)CCc1scnc1C 1458a_100000211351_100000057103 [0,1,0,0,0,1|2,0,0]=4 1734 B15R1.742 COC(=O)CC(=O)CCc1scnc1C 1458a_100011934404_100000747449 [0,1,0,0,0,1|2,0,0]=4 1735 B15R1.742 COC(=O)CC(C)NCc1scnc1C 2230a_100000752186_100009817358 [0,1,0,0,0,1|2,0,0]=4 1736 B15R1.742 COC(=O)CC(C)OCc1scnc1C 34a_100000750112_100009817358 [0,1,0,0,0,1|2,0,0]=4 1737 B15R1.742 COC(=O)CC(C)OCc1scnc1C 7a_100000750112_100009817358 [0,1,0,0,0,1|2,0,0]=4 1738 B15R1.742 COC(=O)CN(C)CCc1scnc1C 2230a_100000198492_100000057103 [0,1,0,0,0,1|2,0,0]=4 1739 B15R1.742 COC(=O)CN(C)CCc1scnc1C 2230a_100025748334_100000747449 [0,1,0,0,0,1|2,0,0]=4 1740 B15R1.742 COC(=O)CN(C)CCc1scnc1C 269982a_100025748334_100000747449 [0,1,0,0,0,1|2,0,0]=4 1741 B15R1.742 COC(=O)C[C@@H](O)CSc1scnc1C 62a_100000754131_100009817116 [0,1,0,0,0,1|2,0,0]=4 1742 B15R1.742 COC(=O)C[C@@H](O)CSc1scnc1C 62a_100009817116_100000754131 [0,1,0,0,0,1|2,0,0]=4 1743 B15R1.1417 C=C(COCc1scnc1C)C(=O)OC 34a_100000750112_100009813391 [0,1,0,0,0,1|2,0,0]=4 1744 B15R1.1417 CCC(=O)C(C)NCCc1scnc1C 2230a_100000238517_100000742827 [0,1,0,0,0,1|1,0,0]=3 1745 B15R1.1417 CCC(=O)C(C)OCCc1scnc1C 7a_100000211055_100000742827 [0,1,0,0,0,1|0,0,0]=2 1746 B15R1.1417 CCC(=O)C(C)OCCn1ccnc1C 7a_100000702865_100000742827 [0,1,0,0,0,1|2,0,0]=4 1747 B15R1.1417 CCC(=O)C(C)SCCc1scnc1C 62a_100000057103_100000742827 [0,1,0,0,0,1|0,1,0]=3 1748 B15R1.1417 CCC(=O)C(C)SCCc1scnc1C 62a_100000742827_100000057103 [0,1,0,0,0,1|0,1,0]=3 1749 B15R1.1417 CCC(C)C(C)OCCc1scnc1C 7a_100011215189_100000057103 [0,1,0,0,0,1|1,0,1]=4 1750 B15R1.1417 CNC(=O)C(=O)NCCc1scnc1C 1626a_100000238517_100011218921 [0,1,0,0,0,1|2,0,0]=4 1751 B15R1.1417 CNC(=O)C(=O)NCCc1scnc1C 240690a_100000238517_100011218921 [0,1,0,0,0,1|2,0,0]=4 1752 B15R1.1417 CNC(=O)C(=O)NCCc1scnc1C 527a_100000238517_100011218921 [0,1,0,0,0,1|2,0,0]=4 1753 B15R1.1417 CNC(=O)C(C)CNCc1scnc1C 207a_100015187722_100000764165 [0,1,0,0,0,1|2,0,0]=4 1754 B15R1.1417 CNC(=O)C(C)NCCc1scnc1C 2230a_100000238517_100000731044 [0,1,0,0,0,1|2,0,0]=4 1755 B15R1.1417 CNC(=O)C(C)NCCc1scnc1C 34a_100000238517_100000731044 [0,1,0,0,0,1|2,0,0]=4 1756 B15R1.1417 CNC(=O)C(C)OCCc1scnc1C 34a_100000211055_100000731044 [0,1,0,0,0,1|1,0,0]=3 1757 B15R1.1417 CNC(=O)C(C)OCCc1scnc1C 7a_100000211055_100000209862 [0,1,0,0,0,1|1,0,0]=3 1758 B15R1.1417 CNC(=O)C(C)SCCc1scnc1C 62a_100000057103_100000731044 [0,1,0,0,0,1|1,1,0]=4 1759 B15R1.1417 CNC(=O)C(C)SCCc1scnc1C 62a_100000209862_100000057103 [0,1,0,0,0,1|1,1,0]=4 1760 B15R1.1417 CNC(=O)C(F)NCCc1scnc1C 2230a_100000238517_100009813575 [0,1,0,0,0,1|2,0,0]=4 1761 B15R1.1417 CNC(=O)C(F)NCCc1scnc1C 34a_100000238517_100009813575 [0,1,0,0,0,1|2,0,0]=4 1762 B15R1.1417 CNC(=O)C(F)OCCc1scnc1C 34a_100000211055_100009813575 [0,1,0,0,0,1|1,0,0]=3 1763 B15R1.1417 CNC(=O)C(F)OCCc1scnc1C 7a_100000211055_100009813575 [0,1,0,0,0,1|1,0,0]=3 1764 B15R1.1417 CNC(=O)C(F)SCCc1scnc1C 62a_100000057103_100009813575 [0,1,0,0,0,1|1,1,0]=4 1765 B15R1.1417 CNC(=O)C(F)SCCc1scnc1C 62a_100009813575_100000057103 [0,1,0,0,0,1|1,1,0]=4 1766 B15R1.1417 CNC(=O)[C@@H](C)NCCc1scnc1C 2230a_100000684985_100000057103 [0,1,0,0,0,1|2,0,0]=4 1767 B15R1.1417 CNC(=O)[C@@H](C)NCCc1scnc1C 34a_100000684985_100000057103 [0,1,0,0,0,1|2,0,0]=4 1768 B15R1.1417 COC(=O)C(=O)COCc1scnc1C 34a_100000750112_100011610305 [0,1,0,0,0,1|2,0,0]=4 1769 B15R1.1417 COC(=O)C(=O)NCCc1scnc1C 11a_100000238517_100000024059 [0,1,0,0,0,1|2,0,0]=4 1770 B15R1.1417 COC(=O)C(=O)NCCc1scnc1C 1626a_100000238517_100000024059 [0,1,0,0,0,1|2,0,0]=4 1771 B15R1.1417 COC(=O)C(=O)NCCc1scnc1C 240690a_100000238517_100000024059 [0,1,0,0,0,1|2,0,0]=4 1772 B15R1.1417 COC(=O)C(=O)NCCc1scnc1C 527a_100000238517_100000024059 [0,1,0,0,0,1|2,0,0]=4 1773 B15R1.1417 COC(=O)C(C)CCSc1scnc1C 62a_100000034942_100009817116 [0,1,0,0,0,1|2,0,0]=4 1774 B15R1.1417 COC(=O)C(C)CCSc1scnc1C 62a_100009817116_100000034942 [0,1,0,0,0,1|2,0,0]=4 1775 B15R1.1417 COC(=O)C(C)COCc1scnc1C 34a_100000750112_100000698445 [0,1,0,0,0,1|2,0,0]=4 1776 B15R1.1417 COC(=O)C(C)NCCc1scnc1C 2230a_100000238517_100000211248 [0,1,0,0,0,1|2,0,0]=4 1777 B15R1.1417 COC(=O)C(C)NCCc1scnc1C 34a_100000238517_100000211248 [0,1,0,0,0,1|2,0,0]=4 1778 B15R1.1417 COC(=O)C(C)OCCc1scnc1C 34a_100000211055_100000211248 [0,1,0,0,0,1|1,0,0]=3 1779 B15R1.1417 COC(=O)C(C)OCCc1scnc1C 34a_100011215400_100000057103 [0,1,0,0,0,1|1,0,0]=3 1780 B15R1.1417 COC(=O)C(C)OCCc1scnc1C 7a_100000211055_100000211248 [0,1,0,0,0,1|1,0,0]=3 1781 B15R1.1417 COC(=O)C(C)SCCc1scnc1C 62a_100000057103_100000211248 [0,1,0,0,0,1|1,1,0]=4 1782 B15R1.1417 COC(=O)C(C)SCCc1scnc1C 62a_100000211248_100000057103 [0,1,0,0,0,1|1,1,0]=4 1783 B15R1.1417 Cc1ncsc1CCOC(C)C(=O)NN 34a_100000725659_100000057103 [0,1,0,0,0,1|2,0,0]=4 1784 B15R1.3529 CCC(=O)COCCn1ccnc1CC 34a_100000725409_100015185934 [0,1,0,0,0,1|2,0,0]=4 1785 B15R1.3529 CCc1ccsc1SCCOC(=O)NC 62a_200009875468_200011997002 [0,1,0,0,0,1|2,0,0]=4 1786 B15R1.3529 CCc1ccsc1SCCOC(=O)NC 62a_200011997002_200009875468 [0,1,0,0,0,1|2,0,0]=4 1787 B15R1.3529 CNC(=O)OCCSc1sccc1CN 62a_100000727803_200011997002 [0,1,0,0,0,1|2,0,0]=4 1788 B15R1.3529 CNC(=O)OCCSc1sccc1CN 62a_200011997002_100000727803 [0,1,0,0,0,1|2,0,0]=4 1789 B15R1.3529 CNC(=O)OCCSc1sccc1CO 62a_100009816922_200011997002 [0,1,0,0,0,1|2,0,0]=4 1790 B15R1.3529 CNC(=O)OCCSc1sccc1CO 62a_200011997002_100009816922 [0,1,0,0,0,1|2,0,0]=4 1791 B15R1.3857 C=COC(=O)COCCc1scnc1C 34a_100000211055_100000036128 [0,1,0,0,0,1|0,0,2]=4 1792 B15R1.3857 CCCC(=O)CNCCc1scnc1C 2230a_100000238517_100000747444 [0,1,0,0,0,1|1,0,0]=3 1793 B15R1.3857 CCCC(=O)COCCc1scnc1C 7a_100000211055_100000747444 [0,1,0,0,0,1|0,0,0]=2 1794 B15R1.3857 CCCC(=O)COCCn1ccnc1C 7a_100000702865_100000747444 [0,1,0,0,0,1|2,0,0]=4 1795 B15R1.3857 CCCC(=O)CSCCc1scnc1C 62a_100000057103_100000747444 [0,1,0,0,0,1|0,1,0]=3 1796 B15R1.3857 CCCC(=O)CSCCc1scnc1C 62a_100000747444_100000057103 [0,1,0,0,0,1|0,1,0]=3 1797 B15R1.3857 CCCC(=O)OCNCc1ccnn1C 34a_100025706696_100000034017 [0,1,0,0,0,1|2,0,0]=4 1798 B15R1.3857 CCCC(=O)OCNCc1sccc1C 2230a_100000238519_100000034017 [0,1,0,0,0,1|1,0,0]=3 1799 B15R1.3857 CCCC(=O)OCNCc1sccc1C 34a_100000238519_100000034017 [0,1,0,0,0,1|1,0,0]=3 1800 B15R1.3857 CCCC(=O)OCNCc1sccc1Cl 2230a_100011934584_100000034017 [0,1,0,0,0,1|2,0,0]=4 1801 B15R1.3857 CCCC(=O)OCNCc1sccc1Cl 34a_100011934584_100000034017 [0,1,0,0,0,1|2,0,0]=4 1802 B15R1.3857 CCCC(=O)OCNCc1scnc1C 2230a_100000752186_100000034017 [0,1,0,0,0,1|0,0,0]=2 1803 B15R1.3857 CCCC(=O)OCNCc1snnc1C 2230a_100000732738_100000034017 [0,1,0,0,0,1|1,0,0]=3 1804 B15R1.3857 CCCC(=O)OCOCc1ccnn1C 34a_100000684702_100000034017 [0,1,0,0,0,1|2,0,0]=4 1805 B15R1.3857 CCCC(=O)OCOCc1ccoc1C 34a_100011219433_100000034017 [0,1,0,0,0,1|2,0,0]=4 1806 B15R1.3857 CCCC(=O)OCOCc1ncoc1C 34a_100012017639_100000034017 [0,1,0,0,0,1|2,0,0]=4 1807 B15R1.3857 CCCC(=O)OCOCc1occc1C 34a_100011273948_100000034017 [0,1,0,0,0,1|1,1,0]=4 1808 B15R1.3857 CCCC(=O)OCOCc1ocnc1C 34a_100000717716_100000034017 [0,1,0,0,0,1|0,1,0]=3 1809 B15R1.3857 CCCC(=O)OCOCc1sccc1Br 34a_100000702026_100000034017 [0,1,0,0,0,1|2,0,0]=4 1810 B15R1.3857 CCCC(=O)OCOCc1sccc1C 34a_100000238368_100000034017 [0,1,0,0,0,1|1,0,0]=3 1811 B15R1.3857 CCCC(=O)OCOCc1sccc1Cl 34a_100000722387_100000034017 [0,1,0,0,0,1|2,0,0]=4 1812 B15R1.3857 CCCC(=O)OCOCc1scnc1C 34a_100000750112_100000034017 [0,1,0,0,0,1|0,0,0]=2 1813 B15R1.3857 CCCC(=O)OCSCc1ccnn1C 62a_100000691648_100000034017 [0,1,0,0,0,1|2,0,0]=4 1814 B15R1.3857 CCCC(=O)OCSCc1nc[nH]c1C 62a_100000751220_100000034017 [0,1,0,0,0,1|1,0,1]=4 1815 B15R1.3857 CCCC(=O)OCSCc1ncoc1C 62a_200000693990_100000034017 [0,1,0,0,0,1|2,0,0]=4 1816 B15R1.3857 CCCC(=O)OCSCc1nonc1C 62a_200000044682_100000034017 [0,1,0,0,0,1|2,0,0]=4 1817 B15R1.3857 CCCC(=O)OCSCc1snnc1C 62a_100000732739_100000034017 [0,1,0,0,0,1|1,0,0]=3 1818 B15R1.3857 CCCC(C)COCCc1scnc1C 34a_100000211055_100011216630 [0,1,0,0,0,1|1,0,1]=4 1819 B15R1.3857 CCCC(C)COCCc1scnc1C 34a_100000688023_100000057103 [0,1,0,0,0,1|1,0,1]=4 1820 B15R1.3857 CCCC(C)COCCc1scnc1C 7a_100000211055_100011216630 [0,1,0,0,0,1|1,0,1]=4 1821 B15R1.3857 CCCC(C)COCCc1scnc1C 7a_100000688023_100000057103 [0,1,0,0,0,1|1,0,1]=4 1822 B15R1.3857 CCC[C@H](N)COCCc1scnc1C 34a_100000732646_100000057103 [0,1,0,0,0,1|1,0,1]=4 1823 B15R1.3857 CCNC(=O)CCNCc1sccc1C 207a_100025743525_100000210881 [0,1,0,0,0,1|2,0,0]=4 1824 B15R1.3857 CCNC(=O)CCNCc1sccc1C 2230a_100000238519_100000737597 [0,1,0,0,0,1|2,0,0]=4 1825 B15R1.3857 CCNC(=O)CCNCc1sccc1C 270004a_100025743525_100000210881 [0,1,0,0,0,1|2,0,0]=4 1826 B15R1.3857 CCNC(=O)CCNCc1scnc1C 207a_100025743525_100000764165 [0,1,0,0,0,1|1,0,0]=3 1827 B15R1.3857 CCNC(=O)CCNCc1scnc1C 2230a_100000752186_100000737597 [0,1,0,0,0,1|1,0,0]=3 1828 B15R1.3857 CCNC(=O)CCNCc1snnc1C 2230a_100000732738_100000737597 [0,1,0,0,0,1|2,0,0]=4 1829 B15R1.3857 CCNC(=O)CCNCc1snnc1C 270004a_100025743525_100000732746 [0,1,0,0,0,1|2,0,0]=4 1830 B15R1.3857 CCNC(=O)CCNCc1snnc1C 34a_100025743525_100000732739 [0,1,0,0,0,1|2,0,0]=4 1831 B15R1.3857 CCNC(=O)CCOCc1ocnc1C 7a_100000717716_100000737597 [0,1,0,0,0,1|1,1,0]=4 1832 B15R1.3857 CCNC(=O)CCOCc1sccc1C 7a_100000238368_100000737597 [0,1,0,0,0,1|2,0,0]=4 1833 B15R1.3857 CCNC(=O)CCOCc1scnc1Br 7a_100012000948_100000737597 [0,1,0,0,0,1|2,0,0]=4 1834 B15R1.3857 CCNC(=O)CCOCc1scnc1C 7a_100000750112_100000737597 [0,1,0,0,0,1|1,0,0]=3 1835 B15R1.3857 CCNC(=O)CCSCc1snnc1C 62a_100000732739_100000737597 [0,1,0,0,0,1|2,0,0]=4 1836 B15R1.3857 CCNC(=O)CCSCc1snnc1C 62a_100000737597_100000732739 [0,1,0,0,0,1|2,0,0]=4 1837 B15R1.3857 CCNC(=O)CNCCc1scnc1C 2230a_100000238517_100000183381 [0,1,0,0,0,1|1,0,0]=3 1838 B15R1.3857 CCNC(=O)CNCCc1scnc1C 2230a_100016988866_100000057103 [0,1,0,0,0,1|1,0,0]=3 1839 B15R1.3857 CCNC(=O)CNCCc1scnc1C 34a_100000238517_100000183381 [0,1,0,0,0,1|1,0,0]=3 1840 B15R1.3857 CCNC(=O)COCCc1scnc1C 34a_100000211055_100000183381 [0,1,0,0,0,1|0,0,0]=2 1841 B15R1.3857 CCNC(=O)COCCc1scnc1C 7a_100000211055_100000183381 [0,1,0,0,0,1|0,0,0]=2 1842 B15R1.3857 CCNC(=O)COCCn1ccnc1C 34a_100000702865_100000183381 [0,1,0,0,0,1|2,0,0]=4 1843 B15R1.3857 CCNC(=O)COCCn1ccnc1C 7a_100000702865_100000183381 [0,1,0,0,0,1|2,0,0]=4 1844 B15R1.3857 CCNC(=O)CSCCc1scnc1C 62a_100000057103_100000183381 [0,1,0,0,0,1|0,1,0]=3 1845 B15R1.3857 CCNC(=O)CSCCc1scnc1C 62a_100000183381_100000057103 [0,1,0,0,0,1|0,1,0]=3 1846 B15R1.3857 CCOC(=O)/C=C/CSc1scnc1C 62a_100009817116_100016267167 [0,1,0,0,0,1|1,0,1]=4 1847 B15R1.3857 CCOC(=O)/C=C/CSc1scnc1C 62a_100016267167_100009817116 [0,1,0,0,0,1|1,0,1]=4 1848 B15R1.3857 CCOC(=O)CCCSc1sccc1C 62a_100009991533_100010247149 [0,1,0,0,0,1|2,0,0]=4 1849 B15R1.3857 CCOC(=O)CCCSc1sccc1C 62a_100010247149_100009991533 [0,1,0,0,0,1|2,0,0]=4 1850 B15R1.3857 CCOC(=O)CCCSc1scnc1C 62a_100009817116_100009991533 [0,1,0,0,0,1|1,0,0]=3 1851 B15R1.3857 CCOC(=O)CCCSc1scnc1C 62a_100009991533_100009817116 [0,1,0,0,0,1|1,0,0]=3 1852 B15R1.3857 CCOC(=O)CCNCc1sccc1C 2230a_100000238519_100011206558 [0,1,0,0,0,1|2,0,0]=4 1853 B15R1.3857 CCOC(=O)CCNCc1sccc1C 34a_100000238519_100000765890 [0,1,0,0,0,1|2,0,0]=4 1854 B15R1.3857 CCOC(=O)CCNCc1scnc1C 2230a_100000752186_100011206558 [0,1,0,0,0,1|1,0,0]=3 1855 B15R1.3857 CCOC(=O)CCNCc1snnc1C 2230a_100000732738_100011206558 [0,1,0,0,0,1|2,0,0]=4 1856 B15R1.3857 CCOC(=O)CCOCc1ocnc1C 34a_100000717716_100000765890 [0,1,0,0,0,1|1,1,0]=4 1857 B15R1.3857 CCOC(=O)CCOCc1ocnc1C 7a_100000717716_100011206558 [0,1,0,0,0,1|1,1,0]=4 1858 B15R1.3857 CCOC(=O)CCOCc1sccc1C 34a_100000238368_100000765890 [0,1,0,0,0,1|2,0,0]=4 1859 B15R1.3857 CCOC(=O)CCOCc1sccc1C 7a_100000238368_100011206558 [0,1,0,0,0,1|2,0,0]=4 1860 B15R1.3857 CCOC(=O)CCOCc1scnc1Br 7a_100012000948_100011206558 [0,1,0,0,0,1|2,0,0]=4 1861 B15R1.3857 CCOC(=O)CCOCc1scnc1C 34a_100000750112_100000765890 [0,1,0,0,0,1|1,0,0]=3 1862 B15R1.3857 CCOC(=O)CCOCc1scnc1C 7a_100000750112_100011206558 [0,1,0,0,0,1|1,0,0]=3 1863 B15R1.3857 CCOC(=O)CCSCc1snnc1C 62a_100000732739_100000765890 [0,1,0,0,0,1|2,0,0]=4 1864 B15R1.3857 CCOC(=O)CCSCc1snnc1C 62a_100000765890_100000732739 [0,1,0,0,0,1|2,0,0]=4 1865 B15R1.3857 CCOC(=O)CNCCc1scnc1C 2230a_100000238517_100000188475 [0,1,0,0,0,1|1,0,0]=3 1866 B15R1.3857 CCOC(=O)CNCCc1scnc1C 34a_100000238517_100000188475 [0,1,0,0,0,1|1,0,0]=3 1867 B15R1.3857 CCOC(=O)COCCc1scnc1C 34a_100000211055_100000188475 [0,1,0,0,0,1|0,0,0]=2 1868 B15R1.3857 CCOC(=O)COCCc1scnc1C 7a_100000211055_100000188475 [0,1,0,0,0,1|0,0,0]=2 1869 B15R1.3857 CCOC(=O)COCCn1ccnc1C 34a_100000702865_100000188475 [0,1,0,0,0,1|2,0,0]=4 1870 B15R1.3857 CCOC(=O)COCCn1ccnc1C 7a_100000702865_100000188475 [0,1,0,0,0,1|2,0,0]=4 1871 B15R1.3857 CCOC(=O)CSCCc1scnc1C 62a_100000057103_100000188475 [0,1,0,0,0,1|0,1,0]=3 1872 B15R1.3857 CCOC(=O)CSCCc1scnc1C 62a_100000188475_100000057103 [0,1,0,0,0,1|0,1,0]=3 1873 B15R1.3857 CCOC(=O)NCCSc1sccc1C 62a_100010247149_200011445536 [0,1,0,0,0,1|2,0,0]=4 1874 B15R1.3857 CCOC(=O)NCCSc1scnc1C 62a_100009817116_200011445536 [0,1,0,0,0,1|1,0,0]=3 1875 B15R1.3857 CCOC(=O)OCSCc1ccnn1C 62a_100000691648_100000075025 [0,1,0,0,0,1|2,0,0]=4 1876 B15R1.3857 CCOC(=O)OCSCc1nc[nH]c1C 62a_100000751220_100000075025 [0,1,0,0,0,1|1,0,1]=4 1877 B15R1.3857 CCOC(=O)OCSCc1ncoc1C 62a_200000693990_100000075025 [0,1,0,0,0,1|2,0,0]=4 1878 B15R1.3857 CCOC(=O)OCSCc1nonc1C 62a_200000044682_100000075025 [0,1,0,0,0,1|2,0,0]=4 1879 B15R1.3857 CCOC(=O)OCSCc1snnc1C 62a_100000732739_100000075025 [0,1,0,0,0,1|1,0,0]=3 1880 B15R1.3857 COCC(N)COCCc1scnc1C 34a_100000724102_100000057103 [0,1,0,0,0,1|1,0,1]=4 1881 B15R1.3857 COCC(O)COCCc1scnc1C 34a_100000211055_100011215053 [0,1,0,0,0,1|0,0,2]=4 1882 B15R1.3857 COCC(O)COCCc1scnc1C 7a_100000211055_100011215053 [0,1,0,0,0,1|0,0,2]=4 1883 B15R1.3857 Cc1ncsc1CCNCC(=O)NCO 2230a_100000238517_100000185155 [0,1,0,0,0,1|2,0,0]=4 1884 B15R1.3857 Cc1ncsc1CCNCC(=O)NCO 34a_100000238517_100000185155 [0,1,0,0,0,1|2,0,0]=4 1885 B15R1.3857 Cc1ncsc1CCOCC(=O)NCO 34a_100000211055_100000185155 [0,1,0,0,0,1|1,0,0]=3 1886 B15R1.3857 Cc1ncsc1CCOCC(=O)NCO 7a_100000211055_100000185155 [0,1,0,0,0,1|1,0,0]=3 1887 B15R1.3857 Cc1ncsc1CCOCC(C)CCN 34a_106354213184_100000057103 [0,1,0,0,0,1|1,0,1]=4 1888 B15R1.3857 Cc1ncsc1CCSCC(=O)NCO 62a_100000057103_100000185155 [0,1,0,0,0,1|1,1,0]=4 1889 B15R1.3857 Cc1ncsc1CCSCC(=O)NCO 62a_100000185155_100000057103 [0,1,0,0,0,1|1,1,0]=4 1890 B15R1.5820 CCC(=O)NCC(=O)Cc1snnc1C 1458a_100000194589_100000732739 [0,1,0,0,0,1|2,0,0]=4 1891 B15R1.7740 CCC(C)(C)COCCc1scnc1C 7a_100000765029_100000057103 [0,1,0,0,0,1|1,0,1]=4 1892 B15R1.7740 CCS(=O)(=O)CCNCc1scnc1C 207a_100000751051_100000764165 [0,1,0,0,0,1|2,0,0]=4 1893 B15R1.7740 CCS(=O)(=O)CCNCc1scnc1C 2230a_100000752186_100000756660 [0,1,0,0,0,1|2,0,0]=4 1894 B15R1.7740 CCS(=O)(=O)CCOCc1scnc1C 34a_100000750112_100000756660 [0,1,0,0,0,1|2,0,0]=4 1895 B15R1.7740 CCS(=O)(=O)CCOCc1scnc1C 7a_100000750112_100000756660 [0,1,0,0,0,1|2,0,0]=4 1896 B15R1.10057 CCC(CC)COCCc1scnc1C 34a_100000211055_100011215472 [0,1,0,0,0,1|1,0,1]=4 1897 B15R1.10057 CCC(CC)COCCc1scnc1C 7a_100000211055_100011215472 [0,1,0,0,0,1|1,0,1]=4 1898 B15R1.10057 CCC(CC)COCCc1scnc1C 7a_100000703878_100000057103 [0,1,0,0,0,1|1,0,1]=4 1899 B15R1.10057 CCC(COCCc1scnc1C)OC 34a_100011934954_100000057103 [0,1,0,0,0,1|0,0,2]=4 1900 B15R1.10057 CCC(COCCc1scnc1C)OC 7a_100011934954_100000057103 [0,1,0,0,0,1|0,0,2]=4 1901 B15R1.10057 CCN(CC)COCCc1scnc1C 7a_200015374951_100000057103 [0,1,0,0,0,1|2,0,0]=4 1902 B15R1.11445 CCC(=O)COCCc1sc[n+](c1C)C 7a_100000085727_100000747405 [0,1,0,0,0,1|0,0,1]=3 1903 B15R1.11445 CNC(=O)COCCc1sc[n+](c1C)C 34a_100000085727_100000183359 [0,1,0,0,0,1|1,0,1]=4 1904 B15R1.11445 CNC(=O)COCCc1sc[n+](c1C)C 7a_100000085727_100000183359 [0,1,0,0,0,1|1,0,1]=4 1905 B15R1.11445 COC(=O)COCCc1sc[n+](c1C)C 34a_100000085727_100000747449 [0,1,0,0,0,1|1,0,1]=4 1906 B15R1.11445 COC(=O)COCCc1sc[n+](c1C)C 7a_100000085727_100000747449 [0,1,0,0,0,1|1,0,1]=4 1907 B15R1.11505 C=CC(=O)OCCSc1sc(nc1C)C 62a_100009813456_100009814099 [0,1,0,0,0,1|0,0,2]=4 1908 B15R1.11505 C=CC(=O)OCCSc1sc(nc1C)C 62a_100009814099_100009813456 [0,1,0,0,0,1|0,0,2]=4 1909 B15R1.11505 C=CC(=O)OCCSc1sc(nc1C)N 62a_100009813456_100159269596 [0,1,0,0,0,1|0,0,2]=4 1910 B15R1.11505 C=CC(=O)OCCSc1sc(nc1C)N 62a_100159269596_100009813456 [0,1,0,0,0,1|0,0,2]=4 1911 B15R1.11505 CCC(=O)COCCc1nc(sc1C)Br 7a_100010201174_100000747405 [0,1,0,0,0,1|2,0,0]=4 1912 B15R1.11505 CNC(=O)CCCSc1sc(nc1C)C 62a_100000741757_100009814099 [0,1,0,0,0,1|2,0,0]=4 1913 B15R1.11505 CNC(=O)CCCSc1sc(nc1C)C 62a_100009814099_100000741757 [0,1,0,0,0,1|2,0,0]=4 1914 B15R1.11505 CNC(=O)CCCSc1sc(nc1C)N 62a_100000741757_100159269596 [0,1,0,0,0,1|2,0,0]=4 1915 B15R1.11505 CNC(=O)CCCSc1sc(nc1C)N 62a_100159269596_100000741757 [0,1,0,0,0,1|2,0,0]=4 1916 B15R1.11505 CNC(=O)CCNCc1sc(nc1C)C 207a_100000738227_100000757988 [0,1,0,0,0,1|2,0,0]=4 1917 B15R1.11505 CNC(=O)CCNCc1sc(nc1C)C 2230a_100000738227_100000760948 [0,1,0,0,0,1|2,0,0]=4 1918 B15R1.11505 CNC(=O)CCNCc1sc(nc1C)C 2230a_100000761763_100000737683 [0,1,0,0,0,1|2,0,0]=4 1919 B15R1.11505 CNC(=O)CCNCc1sc(nc1C)C 34a_100000738227_100000760948 [0,1,0,0,0,1|2,0,0]=4 1920 B15R1.11505 CNC(=O)CCOCc1sc(nc1C)Br 7a_100010264302_100000737683 [0,1,0,0,0,1|2,0,0]=4 1921 B15R1.11505 CNC(=O)CCOCc1sc(nc1C)C 34a_100000750043_100012179268 [0,1,0,0,0,1|2,0,0]=4 1922 B15R1.11505 CNC(=O)CCOCc1sc(nc1C)C 34a_100000754576_100000760948 [0,1,0,0,0,1|2,0,0]=4 1923 B15R1.11505 CNC(=O)CCOCc1sc(nc1C)C 7a_100000750043_100000737683 [0,1,0,0,0,1|2,0,0]=4 1924 B15R1.11505 CNC(=O)CCSCc1sc(nc1C)C 62a_100000737683_100000760948 [0,1,0,0,0,1|2,0,0]=4 1925 B15R1.11505 CNC(=O)CCSCc1sc(nc1C)C 62a_100000760948_100000737683 [0,1,0,0,0,1|2,0,0]=4 1926 B15R1.11505 CNC(=O)OCCSc1sc(cc1C)C 62a_100000689295_200011997002 [0,1,0,0,0,1|2,0,0]=4 1927 B15R1.11505 CNC(=O)OCCSc1sc(cc1C)C 62a_200011997002_100000689295 [0,1,0,0,0,1|2,0,0]=4 1928 B15R1.11505 CNC(=O)OCCSc1sc(nc1C)C 62a_100009814099_200011997002 [0,1,0,0,0,1|1,0,0]=3 1929 B15R1.11505 CNC(=O)OCCSc1sc(nc1C)C 62a_200011997002_100009814099 [0,1,0,0,0,1|1,0,0]=3 1930 B15R1.11505 CNC(=O)OCCSc1sc(nc1C)N 62a_100159269596_200011997002 [0,1,0,0,0,1|1,0,0]=3 1931 B15R1.11505 CNC(=O)OCCSc1sc(nc1C)N 62a_200011997002_100159269596 [0,1,0,0,0,1|1,0,0]=3 1932 B15R1.11505 COC(=O)CCCSc1sc(nc1C)C 62a_100009814099_100011218270 [0,1,0,0,0,1|2,0,0]=4 1933 B15R1.11505 COC(=O)CCCSc1sc(nc1C)C 62a_100011218270_100009814099 [0,1,0,0,0,1|2,0,0]=4 1934 B15R1.11505 COC(=O)CCCSc1sc(nc1C)N 62a_100011218270_100159269596 [0,1,0,0,0,1|2,0,0]=4 1935 B15R1.11505 COC(=O)CCCSc1sc(nc1C)N 62a_100159269596_100011218270 [0,1,0,0,0,1|2,0,0]=4 1936 B15R1.11505 COC(=O)CCNCc1sc(nc1C)C 2230a_100000761763_100000204255 [0,1,0,0,0,1|2,0,0]=4 1937 B15R1.11505 COC(=O)CCOCc1sc(nc1C)Br 7a_100010264302_100000204255 [0,1,0,0,0,1|2,0,0]=4 1938 B15R1.11505 COC(=O)CCOCc1sc(nc1C)C 34a_100000750043_100000742370 [0,1,0,0,0,1|2,0,0]=4 1939 B15R1.11505 COC(=O)CCOCc1sc(nc1C)C 7a_100000750043_100000204255 [0,1,0,0,0,1|2,0,0]=4 1940 B15R1.11505 COC(=O)CCSCc1sc(nc1C)C 62a_100000204255_100000760948 [0,1,0,0,0,1|2,0,0]=4 1941 B15R1.11505 COC(=O)CCSCc1sc(nc1C)C 62a_100000760948_100000204255 [0,1,0,0,0,1|2,0,0]=4 1942 B15R1.11505 COC(=O)OCSCc1sc(nc1Br)C 62a_100015664652_100000139417 [0,1,0,0,0,1|2,0,0]=4 1943 B15R1.11505 COC(=O)OCSCc1sc(nc1C)C 62a_100000760948_100000139417 [0,1,0,0,0,1|1,0,0]=3 1944 B15R1.11550 CCC(=O)COCC(C)n1ccnc1C 7a_100012001285_100000747405 [0,1,0,0,0,1|2,0,0]=4 1945 B15R1.16254 CCC(=O)COCCc1c(n[nH]c1C)C 34a_100000725409_100011219447 [0,1,0,0,0,1|2,0,0]=4 1946 B15R1.16254 CCC(=O)COCCc1c(n[nH]c1C)C 7a_100000693165_100000747405 [0,1,0,0,0,1|2,0,0]=4 1947 B15R1.16254 CCC(=O)COCCc1c(noc1C)C 7a_200000044818_100000747405 [0,1,0,0,0,1|2,0,0]=4 1948 B15R1.257 Cc1cnccc1SCOC(=O)C(C)C 62a_100000139345_100000765111 [0,1,0,0,0,1|2,0,0]=4 1949 B15R1.257 Cc1cnccc1SCOC(=O)C(C)C 62a_100000765111_100000139345 [0,1,0,0,0,1|2,0,0]=4 1950 B15R1.257 Cc1cncnc1SCOC(=O)C(C)C 62a_100000139345_100011998708 [0,1,0,0,0,1|2,0,0]=4 1951 B15R1.257 Cc1cncnc1SCOC(=O)C(C)C 62a_100011998708_100000139345 [0,1,0,0,0,1|2,0,0]=4 1952 B15R1.257 Cc1ncccc1SCOC(=O)C(C)C 62a_100000139345_100000751574 [0,1,0,0,0,1|2,0,0]=4 1953 B15R1.257 Cc1ncccc1SCOC(=O)C(C)C 62a_100000751574_100000139345 [0,1,0,0,0,1|2,0,0]=4 1954 B15R1.257 Cc1nccnc1SCOC(=O)C(C)C 62a_100000139345_100011999405 [0,1,0,0,0,1|2,0,0]=4 1955 B15R1.257 Cc1nccnc1SCOC(=O)C(C)C 62a_100011999405_100000139345 [0,1,0,0,0,1|2,0,0]=4 1956 B15R1.257 Cc1ncncc1SCOC(=O)C(C)C 62a_100000139345_100009819671 [0,1,0,0,0,1|2,0,0]=4 1957 B15R1.257 Cc1ncncc1SCOC(=O)C(C)C 62a_100009819671_100000139345 [0,1,0,0,0,1|2,0,0]=4 1958 B15R1.1252 CCCC(=O)OCOc1cccnc1C 34a_100000745507_100000034017 [0,1,0,0,0,1|2,0,0]=4 1959 B15R1.1252 CCCC(=O)OCOc1ccncc1C 34a_100000694293_100000034017 [0,1,0,0,0,1|2,0,0]=4 1960 B15R1.1252 CCCC(=O)OCOc1nccnc1C 34a_100000766352_100000034017 [0,1,0,0,0,1|2,0,0]=4 1961 B15R1.1252 CCCC(=O)OCSc1cccnc1C 62a_100000751574_100000034017 [0,1,0,0,0,1|2,0,0]=4 1962 B15R1.1252 CCCC(=O)OCSc1ccncc1C 62a_100000765111_100000034017 [0,1,0,0,0,1|2,0,0]=4 1963 B15R1.1252 CCCC(=O)OCSc1cncnc1C 62a_100009819671_100000034017 [0,1,0,0,0,1|2,0,0]=4 1964 B15R1.1252 CCCC(=O)OCSc1nccnc1C 62a_100011999405_100000034017 [0,1,0,0,0,1|2,0,0]=4 1965 B15R1.1252 CCCC(=O)OCSc1ncncc1C 62a_100011998708_100000034017 [0,1,0,0,0,1|2,0,0]=4 1966 B15R1.1252 CCOC(=O)OCSc1cccnc1C 62a_100000751574_100000075025 [0,1,0,0,0,1|2,0,0]=4 1967 B15R1.1252 CCOC(=O)OCSc1ccncc1C 62a_100000765111_100000075025 [0,1,0,0,0,1|2,0,0]=4 1968 B15R1.1252 CCOC(=O)OCSc1cncnc1C 62a_100009819671_100000075025 [0,1,0,0,0,1|2,0,0]=4 1969 B15R1.1252 CCOC(=O)OCSc1nccnc1C 62a_100011999405_100000075025 [0,1,0,0,0,1|2,0,0]=4 1970 B15R1.1252 CCOC(=O)OCSc1ncncc1C 62a_100011998708_100000075025 [0,1,0,0,0,1|2,0,0]=4 1971 B15R1.121 Cc1cc(ccn1)SCOC(=O)C(C)C 62a_100000139345_100000758586 [0,1,0,0,0,1|2,0,0]=4 1972 B15R1.121 Cc1cc(ccn1)SCOC(=O)C(C)C 62a_100000758586_100000139345 [0,1,0,0,0,1|2,0,0]=4 1973 B15R1.121 Cc1cc(ncn1)SCOC(=O)C(C)C 62a_100000139345_100000744208 [0,1,0,0,0,1|2,0,0]=4 1974 B15R1.121 Cc1cc(ncn1)SCOC(=O)C(C)C 62a_100000744208_100000139345 [0,1,0,0,0,1|2,0,0]=4 1975 B15R1.121 Cc1nccc(n1)SCOC(=O)C(C)C 62a_100000139345_100000749937 [0,1,0,0,0,1|2,0,0]=4 1976 B15R1.121 Cc1nccc(n1)SCOC(=O)C(C)C 62a_100000749937_100000139345 [0,1,0,0,0,1|2,0,0]=4 1977 B15R1.633 CCCC(=O)OCOc1ccnc(c1)C 34a_100000688365_100000034017 [0,1,0,0,0,1|2,0,0]=4 1978 B15R1.633 CCCC(=O)OCSc1cc(ncn1)C 62a_100000744208_100000034017 [0,1,0,0,0,1|2,0,0]=4 1979 B15R1.633 CCCC(=O)OCSc1ccnc(c1)C 62a_100000758586_100000034017 [0,1,0,0,0,1|2,0,0]=4 1980 B15R1.633 CCCC(=O)OCSc1ccnc(n1)C 62a_100000749937_100000034017 [0,1,0,0,0,1|2,0,0]=4 1981 B15R1.633 CCOC(=O)OCSc1cc(ncn1)C 62a_100000744208_100000075025 [0,1,0,0,0,1|2,0,0]=4 1982 B15R1.633 CCOC(=O)OCSc1ccnc(c1)C 62a_100000758586_100000075025 [0,1,0,0,0,1|2,0,0]=4 1983 B15R1.633 CCOC(=O)OCSc1ccnc(n1)C 62a_100000749937_100000075025 [0,1,0,0,0,1|2,0,0]=4 1984 B15R1.931 CCC(=O)NCCc1cc(nc(n1)C)O 1626a_103549770559_100000210414 [0,1,0,0,0,1|2,0,0]=4 1985 B15R1.931 CCC(=O)NCCc1cc(nc(n1)C)O 240690a_103549770559_100000210414 [0,1,0,0,0,1|2,0,0]=4 1986 B15R1.804 CCCC(=O)OCSc1sccc1CC 62a_200009875468_100000034017 [0,2,0,0,0,0|2,0,0]=4 1987 B15R1.804 CCCC(=O)OCSc1sccc1CN 62a_100000727803_100000034017 [0,2,0,0,0,0|2,0,0]=4 1988 B15R1.804 CCCC(=O)OCSc1sccc1CO 62a_100009816922_100000034017 [0,2,0,0,0,0|2,0,0]=4 1989 B15R1.804 CCOC(=O)OCSc1sccc1CC 62a_200009875468_100000075025 [0,2,0,0,0,0|2,0,0]=4 1990 B15R1.804 CCOC(=O)OCSc1sccc1CN 62a_100000727803_100000075025 [0,2,0,0,0,0|2,0,0]=4 1991 B15R1.804 CCOC(=O)OCSc1sccc1CO 62a_100009816922_100000075025 [0,2,0,0,0,0|2,0,0]=4 1992 B15R1.3530 CC(C)C(=O)OCSc1sccc1CN 62a_100000139345_100000727803 [0,2,0,0,0,0|2,0,0]=4 1993 B15R1.3530 CC(C)C(=O)OCSc1sccc1CN 62a_100000727803_100000139345 [0,2,0,0,0,0|2,0,0]=4 1994 B15R1.3530 CC(C)C(=O)OCSc1sccc1CO 62a_100000139345_100009816922 [0,2,0,0,0,0|2,0,0]=4 1995 B15R1.3530 CC(C)C(=O)OCSc1sccc1CO 62a_100009816922_100000139345 [0,2,0,0,0,0|2,0,0]=4 1996 B15R1.3530 CCc1ccsc1SCOC(=O)C(C)C 62a_100000139345_200009875468 [0,2,0,0,0,0|2,0,0]=4 1997 B15R1.3530 CCc1ccsc1SCOC(=O)C(C)C 62a_200009875468_100000139345 [0,2,0,0,0,0|2,0,0]=4 1998 B15R1.4247 CCC(=O)COCc1sc(nc1CC)C 7a_200000117834_100000747405 [0,2,0,0,0,0|2,0,0]=4 1999 B15R1.4247 COC(=O)OCSc1sc(nc1CO)C 62a_100011103066_100000139417 [0,2,0,0,0,0|2,0,0]=4 2000 B15R1.3013 C#CC(OCCc1scnc1C)C(C)C 34a_100011217124_100000057103 [0,2,0,0,0,0|1,0,1]=4 2001 B15R1.3013 C#CC(OCCc1scnc1C)C(C)C 7a_100011217124_100000057103 [0,2,0,0,0,0|1,0,1]=4 2002 B15R1.3013 C=CC(OCCc1scnc1C)C(C)C 34a_100000732651_100000057103 [0,2,0,0,0,0|1,0,1]=4 2003 B15R1.3013 C=CC(OCCc1scnc1C)C(C)C 7a_100000732651_100000057103 [0,2,0,0,0,0|1,0,1]=4 2004 B15R1.3013 CCC(NCCc1scnc1C)C(=O)N 2230a_100000238517_100000750255 [0,2,0,0,0,0|1,0,1]=4 2005 B15R1.3013 CCC(NCCc1scnc1C)C(=O)N 2230a_100000733705_100000057103 [0,2,0,0,0,0|1,0,1]=4 2006 B15R1.3013 CCC(NCCc1scnc1C)C(=O)N 34a_100000238517_100000750255 [0,2,0,0,0,0|1,0,1]=4 2007 B15R1.3013 CCC(NCCc1scnc1C)C(=O)N 34a_100000733705_100000057103 [0,2,0,0,0,0|1,0,1]=4 2008 B15R1.3013 CCC(OCCc1scnc1C)C(=O)N 34a_100000211055_100000750255 [0,2,0,0,0,0|0,0,1]=3 2009 B15R1.3013 CCC(OCCc1scnc1C)C(=O)N 7a_100000211055_100000750255 [0,2,0,0,0,0|0,0,1]=3 2010 B15R1.3013 CCC(OCCc1scnc1C)C(C)C 34a_100011218073_100000057103 [0,2,0,0,0,0|1,0,1]=4 2011 B15R1.3013 CCC(OCCc1scnc1C)C(C)C 7a_100011218073_100000057103 [0,2,0,0,0,0|1,0,1]=4 2012 B15R1.3013 CCC(SCCc1scnc1C)C(=O)N 62a_100000057103_100000750255 [0,2,0,0,0,0|0,1,1]=4 2013 B15R1.3013 CCC(SCCc1scnc1C)C(=O)N 62a_100000750255_100000057103 [0,2,0,0,0,0|0,1,1]=4 2014 B15R1.3013 CC[C@@H](NCCc1scnc1C)C(=O)O 269956a_100000747097_100000057103 [0,2,0,0,0,0|1,0,1]=4 2015 B15R1.3013 Cc1ncsc1CCOC(C#N)C(C)C 34a_100000748901_100000057103 [0,2,0,0,0,0|1,0,1]=4 2016 B15R1.3013 Cc1ncsc1CCOC(C#N)C(C)C 7a_100000748901_100000057103 [0,2,0,0,0,0|1,0,1]=4 2017 B15R1.3013 Cc1ncsc1CCOC(CN)C(C)C 34a_100000759067_100000057103 [0,2,0,0,0,0|1,0,1]=4 2018 B15R1.5880 Cc1ccsc1SCOC(=O)C(C)(C)C 62a_100000032063_100010247149 [0,2,0,0,0,0|2,0,0]=4 2019 B15R1.5880 Cc1ccsc1SCOC(=O)C(C)(C)C 62a_100010247149_100000032063 [0,2,0,0,0,0|2,0,0]=4 2020 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(C)C 11a_100000238517_106744555173 [0,2,0,0,0,0|1,0,0]=3 2021 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(C)C 1626a_100000238517_106744555173 [0,2,0,0,0,0|1,0,0]=3 2022 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(C)C 240690a_100000238517_106744555173 [0,2,0,0,0,0|1,0,0]=3 2023 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(C)C 527a_100000238517_106744555173 [0,2,0,0,0,0|1,0,0]=3 2024 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(C)F 11a_100000238517_100000765255 [0,2,0,0,0,0|1,0,0]=3 2025 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(C)F 1626a_100000238517_100000765255 [0,2,0,0,0,0|1,0,0]=3 2026 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(C)F 240690a_100000238517_100000765255 [0,2,0,0,0,0|1,0,0]=3 2027 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(C)F 527a_100000238517_100000765255 [0,2,0,0,0,0|1,0,0]=3 2028 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(C)O 240690a_100000238517_100000242741 [0,2,0,0,0,0|1,0,0]=3 2029 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(F)F 11a_100000238517_100000042251 [0,2,0,0,0,0|1,0,0]=3 2030 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(F)F 1626a_100000238517_100000042251 [0,2,0,0,0,0|1,0,0]=3 2031 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(F)F 240690a_100000238517_100000042251 [0,2,0,0,0,0|1,0,0]=3 2032 B15R1.5880 Cc1ncsc1CCNC(=O)C(C)(F)F 527a_100000238517_100000042251 [0,2,0,0,0,0|1,0,0]=3 2033 B15R1.5880 Cc1ncsc1CCNC(=O)C(F)(F)F 11a_100000238517_100015355933 [0,2,0,0,0,0|2,0,0]=4 2034 B15R1.5880 Cc1ncsc1CCNC(=O)C(F)(F)F 1626a_100000238517_100015355933 [0,2,0,0,0,0|2,0,0]=4 2035 B15R1.5880 Cc1ncsc1CCNC(=O)C(F)(F)F 240690a_100000238517_100015355933 [0,2,0,0,0,0|2,0,0]=4 2036 B15R1.5880 Cc1ncsc1CCNC(=O)C(F)(F)F 527a_100000238517_100000210220 [0,2,0,0,0,0|2,0,0]=4 2037 B15R1.5880 Cc1ncsc1COCC(=O)C(C)(C)C 34a_100000750112_100000229897 [0,2,0,0,0,0|2,0,0]=4 2038 B15R1.5880 Cc1ncsc1COCC(=O)C(C)(C)C 7a_100000750112_100000210923 [0,2,0,0,0,0|2,0,0]=4 2039 B15R1.5880 Cc1ncsc1SCOC(=O)C(C)(C)C 62a_100000032063_100009817116 [0,2,0,0,0,0|1,0,0]=3 2040 B15R1.5880 Cc1ncsc1SCOC(=O)C(C)(C)C 62a_100009817116_100000032063 [0,2,0,0,0,0|1,0,0]=3 2041 B15R1.5880 [2H]C([2H])([2H])C(=O)NCCc1scnc1C 11a_100000238517_200015216371 [0,2,0,0,0,0|2,0,0]=4 2042 B15R1.5880 [2H]C([2H])([2H])C(=O)NCCc1scnc1C 1626a_100000238517_200015216371 [0,2,0,0,0,0|2,0,0]=4 2043 B15R1.5880 [2H]C([2H])([2H])C(=O)NCCc1scnc1C 240690a_100000238517_200015216371 [0,2,0,0,0,0|2,0,0]=4 2044 B15R1.5880 [2H]C([2H])([2H])C(=O)NCCc1scnc1C 527a_100000238517_200015216371 [0,2,0,0,0,0|2,0,0]=4 2045 B15R1.6561 Cc1ncsc1CCNS(=O)(=O)C(C)C 270084a_100000238517_100000742656 [0,2,0,0,0,0|2,0,0]=4 2046 B15R1.6561 Cc1ncsc1CCNS(=O)(=O)C(C)C 274078a_100000238517_100000742656 [0,2,0,0,0,0|2,0,0]=4 2047 B15R1.6561 Cc1ncsc1CCOC(C)(C)C(C)C 7a_100011215261_100000057103 [0,2,0,0,0,0|1,0,1]=4 2048 B15R1.6599 C=C(C)C(=O)N(C)CCc1scnc1C 11a_100025748334_100000185857 [0,2,0,0,0,0|1,0,1]=4 2049 B15R1.6599 C=C(C)C(=O)N(C)CCc1scnc1C 1626a_100025748334_100000185857 [0,2,0,0,0,0|1,0,1]=4 2050 B15R1.6599 Cc1ncsc1CCC(=O)C(=O)N(C)C 1458a_100011218876_100000057103 [0,2,0,0,0,0|2,0,0]=4 2051 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(C)C 11a_100025748334_100000210198 [0,2,0,0,0,0|1,0,0]=3 2052 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(C)C 1626a_100025748334_100000210198 [0,2,0,0,0,0|1,0,0]=3 2053 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(C)C 240690a_100025748334_100000210198 [0,2,0,0,0,0|1,0,0]=3 2054 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(C)C 527a_100025748334_100000210198 [0,2,0,0,0,0|1,0,0]=3 2055 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(C)F 11a_100025748334_100000062450 [0,2,0,0,0,0|1,0,0]=3 2056 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(C)F 1626a_100025748334_100000062450 [0,2,0,0,0,0|1,0,0]=3 2057 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(C)F 240690a_100025748334_100000062450 [0,2,0,0,0,0|1,0,0]=3 2058 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(C)F 527a_100025748334_100000062450 [0,2,0,0,0,0|1,0,0]=3 2059 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(F)F 11a_100025748334_100000210393 [0,2,0,0,0,0|2,0,0]=4 2060 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(F)F 1626a_100025748334_100000210393 [0,2,0,0,0,0|2,0,0]=4 2061 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(F)F 240690a_100025748334_100000210393 [0,2,0,0,0,0|2,0,0]=4 2062 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(F)F 527a_100025748334_100000210393 [0,2,0,0,0,0|2,0,0]=4 2063 B15R1.6599 Cc1ncsc1CCN(C)C(=O)C(O)O 240690a_100025748334_100000233687 [0,2,0,0,0,0|2,0,0]=4 2064 B15R1.6599 Cc1ncsc1CCN(C)C(=O)[C@@H](C)O 240690a_100025748334_100000717761 [0,2,0,0,0,0|1,0,0]=3 2065 B15R1.6599 Cc1ncsc1CCN(C)C(=O)[C@H](C)O 1626a_100025748334_217856618621 [0,2,0,0,0,0|1,0,0]=3 2066 B15R1.6599 Cc1ncsc1CCN(C)C(=O)[C@H](C)O 240690a_100025748334_217856618621 [0,2,0,0,0,0|1,0,0]=3 2067 B15R1.6599 Cc1ncsc1CNC(C)C(=O)C(C)C 2230a_100000752186_100009893295 [0,2,0,0,0,0|2,0,0]=4 2068 B15R1.6599 Cc1ncsc1COC(C)C(=O)C(C)C 7a_100000750112_100009893295 [0,2,0,0,0,0|2,0,0]=4 2069 B15R1.22759 Cc1cc(c(s1)SCOC(=O)C(C)C)C 62a_100000139345_100000689295 [0,2,0,0,0,0|2,0,0]=4 2070 B15R1.22759 Cc1cc(c(s1)SCOC(=O)C(C)C)C 62a_100000689295_100000139345 [0,2,0,0,0,0|2,0,0]=4 2071 B15R1.22759 Cc1nc(c(s1)CNCC(=O)C(C)C)C 2230a_100000761763_100000753385 [0,2,0,0,0,0|2,0,0]=4 2072 B15R1.22759 Cc1nc(c(s1)COCC(=O)C(C)C)C 34a_100000750043_100000753385 [0,2,0,0,0,0|2,0,0]=4 2073 B15R1.22759 Cc1nc(c(s1)COCC(=O)C(C)C)C 7a_100000750043_100000753385 [0,2,0,0,0,0|2,0,0]=4 2074 B15R1.22759 Cc1nc(c(s1)CSCC(=O)C(C)C)C 62a_100000753385_100000760948 [0,2,0,0,0,0|2,0,0]=4 2075 B15R1.22759 Cc1nc(c(s1)CSCC(=O)C(C)C)C 62a_100000760948_100000753385 [0,2,0,0,0,0|2,0,0]=4 2076 B15R1.22759 Cc1nc(c(s1)SCOC(=O)C(C)C)C 62a_100000139345_100009814099 [0,2,0,0,0,0|1,0,0]=3 2077 B15R1.22759 Cc1nc(c(s1)SCOC(=O)C(C)C)C 62a_100009814099_100000139345 [0,2,0,0,0,0|1,0,0]=3 2078 B15R1.22759 Cc1nc(sc1COCC(=O)C(C)C)Br 7a_100010264302_100000753385 [0,2,0,0,0,0|2,0,0]=4 2079 B15R1.22759 Cc1nc(sc1SCOC(=O)C(C)C)N 62a_100000139345_100159269596 [0,2,0,0,0,0|1,0,0]=3 2080 B15R1.22759 Cc1nc(sc1SCOC(=O)C(C)C)N 62a_100159269596_100000139345 [0,2,0,0,0,0|1,0,0]=3 2081 B15R1.3730 CCOC(=O)CC(C)Sc1scnc1C 62a_100009817116_100009817359 [0,2,0,0,0,0|2,0,0]=4 2082 B15R1.3730 CCOC(=O)CC(C)Sc1scnc1C 62a_100009817359_100009817116 [0,2,0,0,0,0|2,0,0]=4 2083 B15R1.3730 CCOC(=O)OC(C)Sc1sccc1C 62a_100000036008_100010247149 [0,2,0,0,0,0|2,0,0]=4 2084 B15R1.3730 CCOC(=O)OC(C)Sc1sccc1C 62a_100010247149_100000036008 [0,2,0,0,0,0|2,0,0]=4 2085 B15R1.3730 CCOC(=O)OC(C)Sc1scnc1C 62a_100000036008_100009817116 [0,2,0,0,0,0|1,0,0]=3 2086 B15R1.3730 CCOC(=O)OC(C)Sc1scnc1C 62a_100009817116_100000036008 [0,2,0,0,0,0|1,0,0]=3 2087 B15R1.11702 CCC(=O)CC(=O)Cc1sc(nc1C)C 1458a_100025788167_100000747405 [0,2,0,0,0,0|1,0,1]=4 2088 B15R1.254 CC(=CC(=O)NCCc1scnc1C)C 11a_100000238517_100000211388 [0,2,0,0,0,0|1,0,1]=4 2089 B15R1.254 CC(=CC(=O)NCCc1scnc1C)C 1626a_100000238517_100000211388 [0,2,0,0,0,0|1,0,1]=4 2090 B15R1.254 CC(=CC(=O)NCCc1scnc1C)C 240690a_100000238517_100000211388 [0,2,0,0,0,0|1,0,1]=4 2091 B15R1.254 CC(=CC(=O)NCCc1scnc1C)Cl 11a_100000238517_200042562850 [0,2,0,0,0,0|1,0,1]=4 2092 B15R1.254 CC(=CC(=O)NCCc1scnc1C)Cl 1626a_100000238517_200042562850 [0,2,0,0,0,0|1,0,1]=4 2093 B15R1.254 CC(=CC(=O)NCCc1scnc1C)Cl 240690a_100000238517_200042562850 [0,2,0,0,0,0|1,0,1]=4 2094 B15R1.254 CC(=CC(=O)NCCc1scnc1C)I 11a_100000238517_100025716642 [0,2,0,0,0,0|1,0,1]=4 2095 B15R1.254 CC(=CC(=O)NCCc1scnc1C)I 1626a_100000238517_100025716642 [0,2,0,0,0,0|1,0,1]=4 2096 B15R1.254 Cc1ccsc1SCOC(=O)OC(C)C 62a_100000003507_100010247149 [0,2,0,0,0,0|2,0,0]=4 2097 B15R1.254 Cc1ccsc1SCOC(=O)OC(C)C 62a_100010247149_100000003507 [0,2,0,0,0,0|2,0,0]=4 2098 B15R1.254 Cc1ncsc1CCNC(=O)CC(=O)N 240690a_100000238517_100134613110 [0,2,0,0,0,0|1,0,1]=4 2099 B15R1.254 Cc1ncsc1CCNC(=O)CC(=O)N 527a_100000238517_100134613110 [0,2,0,0,0,0|1,0,1]=4 2100 B15R1.254 Cc1ncsc1CCNC(=O)CC(C)C 11a_100000238517_100000210554 [0,2,0,0,0,0|1,0,0]=3 2101 B15R1.254 Cc1ncsc1CCNC(=O)CC(C)C 1626a_100000238517_100000210554 [0,2,0,0,0,0|1,0,0]=3 2102 B15R1.254 Cc1ncsc1CCNC(=O)CC(C)C 240690a_100000238517_100000210554 [0,2,0,0,0,0|1,0,0]=3 2103 B15R1.254 Cc1ncsc1CCNC(=O)CC(C)C 527a_100000238517_100000210554 [0,2,0,0,0,0|1,0,0]=3 2104 B15R1.254 Cc1ncsc1CCNC(=O)CN(C)C 11a_100000238517_100000750896 [0,2,0,0,0,0|1,0,0]=3 2105 B15R1.254 Cc1ncsc1CCNC(=O)CN(C)C 240690a_100000238517_100000750896 [0,2,0,0,0,0|1,0,0]=3 2106 B15R1.254 Cc1ncsc1CCNC(=O)CN(C)C 527a_100000238517_100000750896 [0,2,0,0,0,0|1,0,0]=3 2107 B15R1.254 Cc1ncsc1CCNC(=O)C[C@@H](C)O 240690a_100000238517_100011933948 [0,2,0,0,0,0|1,0,0]=3 2108 B15R1.254 Cc1ncsc1CCNC(=O)C[S+](C)C 11a_100000238517_200159257847 [0,2,0,0,0,0|1,0,0]=3 2109 B15R1.254 Cc1ncsc1CCNC(=O)C[S+](C)C 1626a_100000238517_200159257847 [0,2,0,0,0,0|1,0,0]=3 2110 B15R1.254 Cc1ncsc1CCNC(=O)C[S+](C)C 240690a_100000238517_200159257847 [0,2,0,0,0,0|1,0,0]=3 2111 B15R1.254 Cc1ncsc1CCNC(=O)C[S+](C)C 527a_100000238517_200159257847 [0,2,0,0,0,0|1,0,0]=3 2112 B15R1.254 Cc1ncsc1CCNC(=O)NC(C)C 2708a_100000238517_100138425928 [0,2,0,0,0,0|1,0,0]=3 2113 B15R1.254 Cc1ncsc1CCNC(=O)NC(C)C 2708a_100138425928_100000238517 [0,2,0,0,0,0|1,0,0]=3 2114 B15R1.254 Cc1ncsc1CCNC(=O)NC(C)C 273464a_100138425928_100000238517 [0,2,0,0,0,0|1,0,0]=3 2115 B15R1.254 Cc1ncsc1CCNC(=O)NC(C)C 512a_100000238517_100138425928 [0,2,0,0,0,0|1,0,0]=3 2116 B15R1.254 Cc1ncsc1CCNC(=O)NC(C)C 512a_100138425928_100000238517 [0,2,0,0,0,0|1,0,0]=3 2117 B15R1.254 Cc1ncsc1CCOC(C)CC(C)C 34a_100000211055_100000731052 [0,2,0,0,0,0|1,0,1]=4 2118 B15R1.254 Cc1ncsc1CCOC(C)CC(C)C 34a_100000211805_100000057103 [0,2,0,0,0,0|1,0,1]=4 2119 B15R1.254 Cc1ncsc1CCOC(C)CC(C)C 7a_100000211055_100000731052 [0,2,0,0,0,0|1,0,1]=4 2120 B15R1.254 Cc1ncsc1CCOC(C)CC(C)C 7a_100000211805_100000057103 [0,2,0,0,0,0|1,0,1]=4 2121 B15R1.254 Cc1ncsc1CNCC(=O)NC(C)C 207a_100000168517_100000764165 [0,2,0,0,0,0|2,0,0]=4 2122 B15R1.254 Cc1ncsc1CNCC(=O)NC(C)C 2230a_100000752186_100000183996 [0,2,0,0,0,0|2,0,0]=4 2123 B15R1.254 Cc1ncsc1CNCC(=O)OC(C)C 2230a_100000752186_100011215430 [0,2,0,0,0,0|2,0,0]=4 2124 B15R1.254 Cc1ncsc1COCC(=O)NC(C)C 34a_100000750112_100000183996 [0,2,0,0,0,0|2,0,0]=4 2125 B15R1.254 Cc1ncsc1COCC(=O)NC(C)C 7a_100000750112_100000183996 [0,2,0,0,0,0|2,0,0]=4 2126 B15R1.254 Cc1ncsc1COCC(=O)OC(C)C 34a_100000750112_100011215430 [0,2,0,0,0,0|2,0,0]=4 2127 B15R1.254 Cc1ncsc1COCC(=O)OC(C)C 7a_100000750112_100011215430 [0,2,0,0,0,0|2,0,0]=4 2128 B15R1.254 Cc1ncsc1SCCC(=O)NC(C)C 62a_100000737564_100009817116 [0,2,0,0,0,0|2,0,0]=4 2129 B15R1.254 Cc1ncsc1SCCC(=O)NC(C)C 62a_100009817116_100000737564 [0,2,0,0,0,0|2,0,0]=4 2130 B15R1.254 Cc1ncsc1SCCC(=O)OC(C)C 62a_100000760027_100009817116 [0,2,0,0,0,0|2,0,0]=4 2131 B15R1.254 Cc1ncsc1SCCC(=O)OC(C)C 62a_100009817116_100000760027 [0,2,0,0,0,0|2,0,0]=4 2132 B15R1.254 Cc1ncsc1SCOC(=O)OC(C)C 62a_100000003507_100009817116 [0,2,0,0,0,0|1,0,0]=3 2133 B15R1.254 Cc1ncsc1SCOC(=O)OC(C)C 62a_100009817116_100000003507 [0,2,0,0,0,0|1,0,0]=3 2134 B15R1.3894 C#CCCC(=O)NCCc1scnc1C 11a_100000238517_100000692101 [0,2,0,0,0,0|1,0,0]=3 2135 B15R1.3894 C#CCCC(=O)NCCc1scnc1C 1626a_100000238517_100000692101 [0,2,0,0,0,0|1,0,0]=3 2136 B15R1.3894 C#CCCC(=O)NCCc1scnc1C 240690a_100000238517_100000692101 [0,2,0,0,0,0|1,0,0]=3 2137 B15R1.3894 C#CCCC(=O)NCCc1scnc1C 527a_100000238517_100000692101 [0,2,0,0,0,0|1,0,0]=3 2138 B15R1.3894 C#CCNC(=O)NCCc1scnc1C 2708a_100000212058_100000238517 [0,2,0,0,0,0|1,0,1]=4 2139 B15R1.3894 C#CCNC(=O)NCCc1scnc1C 2708a_100000238517_100000212058 [0,2,0,0,0,0|1,0,1]=4 2140 B15R1.3894 C#CCNC(=O)NCCc1scnc1C 273464a_100000212058_100000238517 [0,2,0,0,0,0|1,0,1]=4 2141 B15R1.3894 C#CCNC(=O)NCCc1scnc1C 273464a_100000238517_100000212058 [0,2,0,0,0,0|1,0,1]=4 2142 B15R1.3894 C#CCNC(=O)NCCc1scnc1C 512a_100000212058_100000238517 [0,2,0,0,0,0|1,0,1]=4 2143 B15R1.3894 C#CCNC(=O)NCCc1scnc1C 512a_100000238517_100000212058 [0,2,0,0,0,0|1,0,1]=4 2144 B15R1.3894 C=CCCC(=O)NCCc1scnc1C 11a_100000238517_100000749702 [0,2,0,0,0,0|1,0,0]=3 2145 B15R1.3894 C=CCCC(=O)NCCc1scnc1C 1626a_100000238517_100000749702 [0,2,0,0,0,0|1,0,0]=3 2146 B15R1.3894 C=CCCC(=O)NCCc1scnc1C 240690a_100000238517_100000749702 [0,2,0,0,0,0|1,0,0]=3 2147 B15R1.3894 C=CCCC(=O)NCCc1scnc1C 527a_100000238517_100000749702 [0,2,0,0,0,0|1,0,0]=3 2148 B15R1.3894 C=CCCC(C)OCCc1scnc1C 34a_100000765329_100000057103 [0,2,0,0,0,0|1,0,1]=4 2149 B15R1.3894 C=CCCC(C)OCCc1scnc1C 7a_100000765329_100000057103 [0,2,0,0,0,0|1,0,1]=4 2150 B15R1.3894 C=CCNC(=O)NCCc1scnc1C 2708a_100000238517_100020586998 [0,2,0,0,0,0|1,0,1]=4 2151 B15R1.3894 C=CCNC(=O)NCCc1scnc1C 273464a_100000238517_100020586998 [0,2,0,0,0,0|1,0,1]=4 2152 B15R1.3894 C=CCNC(=O)NCCc1scnc1C 273464a_100020586998_100000238517 [0,2,0,0,0,0|1,0,1]=4 2153 B15R1.3894 C=CCNC(=O)NCCc1scnc1C 512a_100000238517_100020586998 [0,2,0,0,0,0|1,0,1]=4 2154 B15R1.3894 C=CCNC(=O)NCCc1scnc1C 512a_100020586998_100000238517 [0,2,0,0,0,0|1,0,1]=4 2155 B15R1.3894 CC=CCC(=O)NCCc1scnc1C 11a_100000238517_100121576822 [0,2,0,0,0,0|1,0,0]=3 2156 B15R1.3894 CC=CCC(=O)NCCc1scnc1C 1626a_100000238517_100121576822 [0,2,0,0,0,0|1,0,0]=3 2157 B15R1.3894 CC=CCC(=O)NCCc1scnc1C 240690a_100000238517_100121576822 [0,2,0,0,0,0|1,0,0]=3 2158 B15R1.3894 CC=CCC(=O)NCCc1scnc1C 527a_100000238517_100121576822 [0,2,0,0,0,0|1,0,0]=3 2159 B15R1.3894 CCC#CC(C)OCCc1scnc1C 34a_100000033903_100000057103 [0,2,0,0,0,0|1,0,1]=4 2160 B15R1.3894 CCC#CC(C)OCCc1scnc1C 7a_100000033903_100000057103 [0,2,0,0,0,0|1,0,1]=4 2161 B15R1.3894 CCC=CC(=O)NCCc1scnc1C 11a_100000238517_100000212282 [0,2,0,0,0,0|1,0,0]=3 2162 B15R1.3894 CCC=CC(=O)NCCc1scnc1C 1626a_100000238517_100000212282 [0,2,0,0,0,0|1,0,0]=3 2163 B15R1.3894 CCC=CC(=O)NCCc1scnc1C 240690a_100000238517_100000212282 [0,2,0,0,0,0|1,0,0]=3 2164 B15R1.3894 CCCCC(=O)NCCc1scnc1C 11a_100000238517_100000210183 [0,2,0,0,0,0|1,0,0]=3 2165 B15R1.3894 CCCCC(=O)NCCc1scnc1C 1626a_100000238517_100000210183 [0,2,0,0,0,0|1,0,0]=3 2166 B15R1.3894 CCCCC(=O)NCCc1scnc1C 240690a_100000238517_100000210183 [0,2,0,0,0,0|1,0,0]=3 2167 B15R1.3894 CCCCC(=O)NCCc1scnc1C 527a_100000238517_100000210183 [0,2,0,0,0,0|1,0,0]=3 2168 B15R1.3894 CCCCC(C)OCCc1scnc1C 34a_100000211055_200011215066 [0,2,0,0,0,0|1,0,1]=4 2169 B15R1.3894 CCCCC(C)OCCc1scnc1C 34a_100000687866_100000057103 [0,2,0,0,0,0|1,0,1]=4 2170 B15R1.3894 CCCCC(C)OCCc1scnc1C 7a_100000211055_200011215066 [0,2,0,0,0,0|1,0,1]=4 2171 B15R1.3894 CCCCC(C)OCCc1scnc1C 7a_100000687866_100000057103 [0,2,0,0,0,0|1,0,1]=4 2172 B15R1.3894 CCCNC(=O)CNCc1scnc1C 2230a_100000752186_100000183358 [0,2,0,0,0,0|2,0,0]=4 2173 B15R1.3894 CCCNC(=O)COCc1scnc1C 34a_100000750112_100000183358 [0,2,0,0,0,0|2,0,0]=4 2174 B15R1.3894 CCCNC(=O)COCc1scnc1C 7a_100000750112_100000183358 [0,2,0,0,0,0|2,0,0]=4 2175 B15R1.3894 CCCNC(=O)NCCc1scnc1C 2708a_100000238517_100020643023 [0,2,0,0,0,0|1,0,0]=3 2176 B15R1.3894 CCCNC(=O)NCCc1scnc1C 2708a_100020643023_100000238517 [0,2,0,0,0,0|1,0,0]=3 2177 B15R1.3894 CCCNC(=O)NCCc1scnc1C 273464a_100000238517_100020643023 [0,2,0,0,0,0|1,0,0]=3 2178 B15R1.3894 CCCNC(=O)NCCc1scnc1C 273464a_100020643023_100000238517 [0,2,0,0,0,0|1,0,0]=3 2179 B15R1.3894 CCCNC(=O)NCCc1scnc1C 512a_100000238517_100020643023 [0,2,0,0,0,0|1,0,0]=3 2180 B15R1.3894 CCCNC(=O)NCCc1scnc1C 512a_100020643023_100000238517 [0,2,0,0,0,0|1,0,0]=3 2181 B15R1.3894 CCCOC(=O)CNCc1scnc1C 2230a_100000752186_200011215008 [0,2,0,0,0,0|2,0,0]=4 2182 B15R1.3894 CCCOC(=O)COCc1scnc1C 34a_100000750112_200011215008 [0,2,0,0,0,0|2,0,0]=4 2183 B15R1.3894 CCCOC(=O)COCc1scnc1C 7a_100000750112_200011215008 [0,2,0,0,0,0|2,0,0]=4 2184 B15R1.3894 CCCOC(=O)OCSc1sccc1C 62a_100010247149_200000139673 [0,2,0,0,0,0|2,0,0]=4 2185 B15R1.3894 CCCOC(=O)OCSc1scnc1C 62a_100009817116_200000139673 [0,2,0,0,0,0|1,0,0]=3 2186 B15R1.3894 CCNNC(=O)NCCc1scnc1C 273464a_100000238517_100000756455 [0,2,0,0,0,0|1,0,0]=3 2187 B15R1.3894 CCNNC(=O)NCCc1scnc1C 512a_100000238517_100000756455 [0,2,0,0,0,0|1,0,0]=3 2188 B15R1.3894 CCNNC(=O)NCCc1scnc1C 512a_100000756455_100000238517 [0,2,0,0,0,0|1,0,0]=3 2189 B15R1.3894 CCOCC(=O)NCCc1scnc1C 11a_100000238517_100000211967 [0,2,0,0,0,0|1,0,0]=3 2190 B15R1.3894 CCOCC(=O)NCCc1scnc1C 1626a_100000238517_100000211967 [0,2,0,0,0,0|1,0,0]=3 2191 B15R1.3894 CCOCC(=O)NCCc1scnc1C 240690a_100000238517_100000211967 [0,2,0,0,0,0|1,0,0]=3 2192 B15R1.3894 CCOCC(=O)NCCc1scnc1C 527a_100000238517_100000211967 [0,2,0,0,0,0|1,0,0]=3 2193 B15R1.3894 CCOCC(C)OCCc1scnc1C 34a_100000718985_100000057103 [0,2,0,0,0,0|1,0,1]=4 2194 B15R1.3894 CCOCC(C)OCCc1scnc1C 7a_100000718985_100000057103 [0,2,0,0,0,0|1,0,1]=4 2195 B15R1.3894 CCSCC(=O)NCCc1scnc1C 11a_100000238517_100000230394 [0,2,0,0,0,0|1,0,0]=3 2196 B15R1.3894 CCSCC(=O)NCCc1scnc1C 1626a_100000238517_100000230394 [0,2,0,0,0,0|1,0,0]=3 2197 B15R1.3894 CCSCC(=O)NCCc1scnc1C 240690a_100000238517_100000230394 [0,2,0,0,0,0|1,0,0]=3 2198 B15R1.3894 CCSCC(=O)NCCc1scnc1C 527a_100000238517_100000230394 [0,2,0,0,0,0|1,0,0]=3 2199 B15R1.3894 COC=CC(=O)NCCc1scnc1C 1626a_100000238517_100016268678 [0,2,0,0,0,0|1,0,1]=4 2200 B15R1.3894 COC=CC(=O)NCCc1scnc1C 240690a_100000238517_100016268678 [0,2,0,0,0,0|1,0,1]=4 2201 B15R1.3894 COCCC(=O)NCCc1scnc1C 11a_100000238517_100000749529 [0,2,0,0,0,0|1,0,0]=3 2202 B15R1.3894 COCCC(=O)NCCc1scnc1C 1626a_100000238517_100000749529 [0,2,0,0,0,0|1,0,0]=3 2203 B15R1.3894 COCCC(=O)NCCc1scnc1C 240690a_100000238517_100000749529 [0,2,0,0,0,0|1,0,0]=3 2204 B15R1.3894 COCCC(=O)NCCc1scnc1C 527a_100000238517_100000749529 [0,2,0,0,0,0|1,0,0]=3 2205 B15R1.3894 CSCCC(=O)NCCc1scnc1C 11a_100000238517_100000174002 [0,2,0,0,0,0|1,0,0]=3 2206 B15R1.3894 CSCCC(=O)NCCc1scnc1C 1626a_100000238517_100000174002 [0,2,0,0,0,0|1,0,0]=3 2207 B15R1.3894 CSCCC(=O)NCCc1scnc1C 240690a_100000238517_100000174002 [0,2,0,0,0,0|1,0,0]=3 2208 B15R1.3894 CSCCC(=O)NCCc1scnc1C 527a_100000238517_100000174002 [0,2,0,0,0,0|1,0,0]=3 2209 B15R1.3894 Cc1ncsc1CCNC(=O)CCC#N 11a_100000238517_100011934036 [0,2,0,0,0,0|1,0,0]=3 2210 B15R1.3894 Cc1ncsc1CCNC(=O)CCC#N 1626a_100000238517_100011934036 [0,2,0,0,0,0|1,0,0]=3 2211 B15R1.3894 Cc1ncsc1CCNC(=O)CCC#N 240690a_100000238517_100011934036 [0,2,0,0,0,0|1,0,0]=3 2212 B15R1.3894 Cc1ncsc1CCNC(=O)CCC#N 527a_100000238517_100011934036 [0,2,0,0,0,0|1,0,0]=3 2213 B15R1.3894 Cc1ncsc1CCNC(=O)CN=[N+]=[N-] 11a_100000238517_100000751907 [0,2,0,0,0,0|2,0,0]=4 2214 B15R1.3894 Cc1ncsc1CCNC(=O)CN=[N+]=[N-] 240690a_100000238517_100000751907 [0,2,0,0,0,0|2,0,0]=4 2215 B15R1.3894 Cc1ncsc1CCNC(=O)NCC#N 2708a_100000734998_100000238517 [0,2,0,0,0,0|1,0,1]=4 2216 B15R1.3894 Cc1ncsc1CCNC(=O)NCC#N 273464a_100000238517_100000734998 [0,2,0,0,0,0|1,0,1]=4 2217 B15R1.3894 Cc1ncsc1CCNC(=O)NCC#N 273464a_100000734998_100000238517 [0,2,0,0,0,0|1,0,1]=4 2218 B15R1.3894 Cc1ncsc1CCNC(=O)NCC#N 512a_100000238517_100000734998 [0,2,0,0,0,0|1,0,1]=4 2219 B15R1.3894 Cc1ncsc1CCNC(=O)NCC#N 512a_100000734998_100000238517 [0,2,0,0,0,0|1,0,1]=4 2220 B15R1.3894 Cc1ncsc1CCNC(=O)NCCF 2708a_100000238517_100000724931 [0,2,0,0,0,0|1,0,0]=3 2221 B15R1.3894 Cc1ncsc1CCNC(=O)NCCF 273464a_100000238517_100000724931 [0,2,0,0,0,0|1,0,0]=3 2222 B15R1.3894 Cc1ncsc1CCNC(=O)NCCF 273464a_100000724931_100000238517 [0,2,0,0,0,0|1,0,0]=3 2223 B15R1.3894 Cc1ncsc1CCNC(=O)NCCF 512a_100000238517_100000724931 [0,2,0,0,0,0|1,0,0]=3 2224 B15R1.3894 Cc1ncsc1CCNC(=O)NCCO 2708a_100000238517_100000210304 [0,2,0,0,0,0|1,0,0]=3 2225 B15R1.3894 Cc1ncsc1CCNC(=O)NCCO 273464a_100000210304_100000238517 [0,2,0,0,0,0|1,0,0]=3 2226 B15R1.3894 Cc1ncsc1CCNC(=O)NCCO 273464a_100000238517_100000210304 [0,2,0,0,0,0|1,0,0]=3 2227 B15R1.3894 Cc1ncsc1CCNC(=O)NCCO 512a_100000238517_100000210304 [0,2,0,0,0,0|1,0,0]=3 2228 B15R1.3894 Cc1ncsc1CCOC(C)CCCCl 34a_200000718107_100000057103 [0,2,0,0,0,0|1,0,1]=4 2229 B15R1.3894 Cc1ncsc1CCOC(C)CCCCl 7a_200000718107_100000057103 [0,2,0,0,0,0|1,0,1]=4 2230 B15R1.3935 C#CCC(=O)N(C)CCc1scnc1C 1626a_100025748334_100011220946 [0,2,0,0,0,0|1,0,1]=4 2231 B15R1.3935 C#CCC(=O)N(C)CCc1scnc1C 527a_100025748334_100011220946 [0,2,0,0,0,0|1,0,1]=4 2232 B15R1.3935 C=C(CSc1scnc1C)C(=O)OCC 62a_100000755967_100009817116 [0,2,0,0,0,0|2,0,0]=4 2233 B15R1.3935 C=C(CSc1scnc1C)C(=O)OCC 62a_100009817116_100000755967 [0,2,0,0,0,0|2,0,0]=4 2234 B15R1.3935 C=CCC(=O)N(C)CCc1scnc1C 11a_100025748334_100000210193 [0,2,0,0,0,0|1,0,1]=4 2235 B15R1.3935 C=CCC(=O)N(C)CCc1scnc1C 1626a_100025748334_100000210193 [0,2,0,0,0,0|1,0,1]=4 2236 B15R1.3935 C=CCC(=O)N(C)CCc1scnc1C 240690a_100025748334_100000210193 [0,2,0,0,0,0|1,0,1]=4 2237 B15R1.3935 C=CCC(=O)N(C)CCc1scnc1C 527a_100025748334_100000210193 [0,2,0,0,0,0|1,0,1]=4 2238 B15R1.3935 CC/C=C(\C)/C(=O)CCc1scnc1C 1458a_100016988807_100000057103 [0,2,0,0,0,0|2,0,0]=4 2239 B15R1.3935 CC=CC(=O)N(C)CCc1scnc1C 11a_100025748334_100000210699 [0,2,0,0,0,0|1,0,1]=4 2240 B15R1.3935 CC=CC(=O)N(C)CCc1scnc1C 1626a_100025748334_100000210699 [0,2,0,0,0,0|1,0,1]=4 2241 B15R1.3935 CC=CC(=O)N(C)CCc1scnc1C 240690a_100025748334_100000210699 [0,2,0,0,0,0|1,0,1]=4 2242 B15R1.3935 CCCC(=O)N(C)CCc1scnc1C 11a_100025748334_100000211992 [0,2,0,0,0,0|1,0,0]=3 2243 B15R1.3935 CCCC(=O)N(C)CCc1scnc1C 1626a_100025748334_100000211992 [0,2,0,0,0,0|1,0,0]=3 2244 B15R1.3935 CCCC(=O)N(C)CCc1scnc1C 240690a_100025748334_100000211992 [0,2,0,0,0,0|1,0,0]=3 2245 B15R1.3935 CCCC(=O)N(C)CCc1scnc1C 527a_100025748334_100000211992 [0,2,0,0,0,0|1,0,0]=3 2246 B15R1.3935 CCNC(=O)C(=O)CCc1scnc1C 1458a_200011297158_100000057103 [0,2,0,0,0,0|1,0,0]=3 2247 B15R1.3935 CCNC(=O)C(=O)NCc1scnc1C 1626a_100000752186_200011297158 [0,2,0,0,0,0|2,0,0]=4 2248 B15R1.3935 CCNC(=O)C(=O)NCc1scnc1C 240690a_100000752186_200011297158 [0,2,0,0,0,0|2,0,0]=4 2249 B15R1.3935 CCNC(=O)C(=O)NCc1scnc1C 527a_100000752186_200011297158 [0,2,0,0,0,0|2,0,0]=4 2250 B15R1.3935 CCNC(=O)C(C)NCc1scnc1C 2230a_100000752186_100000230173 [0,2,0,0,0,0|2,0,0]=4 2251 B15R1.3935 CCNC(=O)C(C)OCc1scnc1C 34a_100000750112_100000230173 [0,2,0,0,0,0|2,0,0]=4 2252 B15R1.3935 CCNC(=O)C(C)OCc1scnc1C 7a_100000750112_100000230173 [0,2,0,0,0,0|2,0,0]=4 2253 B15R1.3935 CCNC(=O)N(C)CCc1scnc1C 2708a_100015525214_100025748334 [0,2,0,0,0,0|1,0,0]=3 2254 B15R1.3935 CCNC(=O)N(C)CCc1scnc1C 273464a_100015525214_100025748334 [0,2,0,0,0,0|1,0,0]=3 2255 B15R1.3935 CCOC(=O)C(=O)CSc1scnc1C 62a_100000211299_100009817116 [0,2,0,0,0,0|2,0,0]=4 2256 B15R1.3935 CCOC(=O)C(=O)CSc1scnc1C 62a_100009817116_100000211299 [0,2,0,0,0,0|2,0,0]=4 2257 B15R1.3935 CCOC(=O)C(=O)NCc1scnc1C 11a_100000752186_100014798877 [0,2,0,0,0,0|2,0,0]=4 2258 B15R1.3935 CCOC(=O)C(=O)NCc1scnc1C 1626a_100000752186_100014798877 [0,2,0,0,0,0|2,0,0]=4 2259 B15R1.3935 CCOC(=O)C(=O)NCc1scnc1C 240690a_100000752186_100014798877 [0,2,0,0,0,0|2,0,0]=4 2260 B15R1.3935 CCOC(=O)C(C)NCc1scnc1C 2230a_100000752186_100011215307 [0,2,0,0,0,0|2,0,0]=4 2261 B15R1.3935 CCOC(=O)C(C)OCc1scnc1C 34a_100000750112_100011216346 [0,2,0,0,0,0|2,0,0]=4 2262 B15R1.3935 CCOC(=O)C(C)OCc1scnc1C 7a_100000750112_100011216346 [0,2,0,0,0,0|2,0,0]=4 2263 B15R1.3935 CCOC(=O)C(F)NCc1scnc1C 2230a_100000752186_100000760018 [0,2,0,0,0,0|2,0,0]=4 2264 B15R1.3935 CCOC(=O)C(F)OCc1scnc1C 34a_100000750112_100000760018 [0,2,0,0,0,0|2,0,0]=4 2265 B15R1.3935 CCOC(=O)C(F)OCc1scnc1C 7a_100000750112_100000040065 [0,2,0,0,0,0|2,0,0]=4 2266 B15R1.3935 COCC(=O)N(C)CCc1scnc1C 11a_100025748334_100000210968 [0,2,0,0,0,0|1,0,0]=3 2267 B15R1.3935 COCC(=O)N(C)CCc1scnc1C 1626a_100025748334_100000210968 [0,2,0,0,0,0|1,0,0]=3 2268 B15R1.3935 COCC(=O)N(C)CCc1scnc1C 240690a_100025748334_100000210968 [0,2,0,0,0,0|1,0,0]=3 2269 B15R1.3935 COCC(=O)N(C)CCc1scnc1C 527a_100025748334_100000210968 [0,2,0,0,0,0|1,0,0]=3 2270 B15R1.3935 CSCC(=O)N(C)CCc1scnc1C 11a_100025748334_100000184570 [0,2,0,0,0,0|1,0,0]=3 2271 B15R1.3935 CSCC(=O)N(C)CCc1scnc1C 1626a_100025748334_100000184570 [0,2,0,0,0,0|1,0,0]=3 2272 B15R1.3935 CSCC(=O)N(C)CCc1scnc1C 240690a_100025748334_100000184570 [0,2,0,0,0,0|1,0,0]=3 2273 B15R1.3935 CSCC(=O)N(C)CCc1scnc1C 527a_100025748334_100000184570 [0,2,0,0,0,0|1,0,0]=3 2274 B15R1.3935 Cc1ncsc1CCN(C)C(=O)CC#N 1626a_100025748334_100051588842 [0,2,0,0,0,0|1,0,1]=4 2275 B15R1.3935 Cc1ncsc1CCN(C)C(=O)CC#N 240690a_100025748334_100051588842 [0,2,0,0,0,0|1,0,1]=4 2276 B15R1.3935 Cc1ncsc1CCN(C)C(=O)CCO 240690a_100025748334_100011216618 [0,2,0,0,0,0|1,0,0]=3 2277 B15R1.4390 C#CC(CCC)OCCc1scnc1C 34a_200011217317_100000057103 [0,2,0,0,0,0|1,0,1]=4 2278 B15R1.4390 C#CC(CCC)OCCc1scnc1C 7a_200011217317_100000057103 [0,2,0,0,0,0|1,0,1]=4 2279 B15R1.4390 C#CCC(CC)OCCc1scnc1C 34a_200011217983_100000057103 [0,2,0,0,0,0|1,0,1]=4 2280 B15R1.4390 C#CCC(CC)OCCc1scnc1C 7a_200011217983_100000057103 [0,2,0,0,0,0|1,0,1]=4 2281 B15R1.4390 C=CC(CCC)OCCc1scnc1C 34a_100011216692_100000057103 [0,2,0,0,0,0|1,0,1]=4 2282 B15R1.4390 C=CC(CCC)OCCc1scnc1C 7a_100011216692_100000057103 [0,2,0,0,0,0|1,0,1]=4 2283 B15R1.4390 CC#CC(CC)OCCc1scnc1C 34a_200011219922_100000057103 [0,2,0,0,0,0|1,0,1]=4 2284 B15R1.4390 CC#CC(CC)OCCc1scnc1C 7a_200011219922_100000057103 [0,2,0,0,0,0|1,0,1]=4 2285 B15R1.4390 CCC(COC)OCCc1scnc1C 7a_200011214946_100000057103 [0,2,0,0,0,0|0,0,2]=4 2286 B15R1.4390 CCCC(C#N)OCCc1scnc1C 34a_100000686963_100000057103 [0,2,0,0,0,0|1,0,1]=4 2287 B15R1.4390 CCCC(C#N)OCCc1scnc1C 7a_100000686963_100000057103 [0,2,0,0,0,0|1,0,1]=4 2288 B15R1.4390 CCCC(CC)OCCc1scnc1C 34a_100000687864_100000057103 [0,2,0,0,0,0|1,0,1]=4 2289 B15R1.4390 CCCC(CC)OCCc1scnc1C 7a_100000211055_100011219200 [0,2,0,0,0,0|1,0,1]=4 2290 B15R1.4390 CCCC(CC)OCCc1scnc1C 7a_100000687864_100000057103 [0,2,0,0,0,0|1,0,1]=4 2291 B15R1.4390 COCC(CCl)OCCc1scnc1C 34a_100011215053_100000057103 [0,2,0,0,0,0|1,0,1]=4 2292 B15R1.4390 COCC(CN)OCCc1scnc1C 34a_100000756049_100000057103 [0,2,0,0,0,0|1,0,1]=4 2293 B15R1.9902 CCCC(=O)CNCc1sc(nc1C)C 2230a_100000761763_100000747444 [0,2,0,0,0,0|2,0,0]=4 2294 B15R1.9902 CCCC(=O)COCc1sc(nc1C)Br 7a_100010264302_100000747444 [0,2,0,0,0,0|2,0,0]=4 2295 B15R1.9902 CCCC(=O)COCc1sc(nc1C)C 7a_100000750043_100000747444 [0,2,0,0,0,0|2,0,0]=4 2296 B15R1.9902 CCCC(=O)CSCc1sc(nc1C)C 62a_100000747444_100000760948 [0,2,0,0,0,0|2,0,0]=4 2297 B15R1.9902 CCCC(=O)CSCc1sc(nc1C)C 62a_100000760948_100000747444 [0,2,0,0,0,0|2,0,0]=4 2298 B15R1.9902 CCCC(=O)OCSc1sc(cc1C)C 62a_100000689295_100000034017 [0,2,0,0,0,0|2,0,0]=4 2299 B15R1.9902 CCCC(=O)OCSc1sc(nc1C)C 62a_100009814099_100000034017 [0,2,0,0,0,0|1,0,0]=3 2300 B15R1.9902 CCCC(=O)OCSc1sc(nc1C)N 62a_100159269596_100000034017 [0,2,0,0,0,0|1,0,0]=3 2301 B15R1.9902 CCNC(=O)CCSc1sc(nc1C)C 62a_100000737597_100009814099 [0,2,0,0,0,0|2,0,0]=4 2302 B15R1.9902 CCNC(=O)CCSc1sc(nc1C)C 62a_100009814099_100000737597 [0,2,0,0,0,0|2,0,0]=4 2303 B15R1.9902 CCNC(=O)CCSc1sc(nc1C)N 62a_100000737597_100159269596 [0,2,0,0,0,0|2,0,0]=4 2304 B15R1.9902 CCNC(=O)CCSc1sc(nc1C)N 62a_100159269596_100000737597 [0,2,0,0,0,0|2,0,0]=4 2305 B15R1.9902 CCNC(=O)CNCc1sc(nc1C)C 2230a_100000761763_100000183381 [0,2,0,0,0,0|2,0,0]=4 2306 B15R1.9902 CCNC(=O)CNCc1sc(nc1C)C 2230a_100016988866_100000760948 [0,2,0,0,0,0|2,0,0]=4 2307 B15R1.9902 CCNC(=O)COCc1sc(nc1C)Br 7a_100010264302_100000183381 [0,2,0,0,0,0|2,0,0]=4 2308 B15R1.9902 CCNC(=O)COCc1sc(nc1C)C 34a_100000750043_100000183381 [0,2,0,0,0,0|2,0,0]=4 2309 B15R1.9902 CCNC(=O)COCc1sc(nc1C)C 7a_100000750043_100000183381 [0,2,0,0,0,0|2,0,0]=4 2310 B15R1.9902 CCNC(=O)CSCc1sc(nc1C)C 62a_100000183381_100000760948 [0,2,0,0,0,0|2,0,0]=4 2311 B15R1.9902 CCNC(=O)CSCc1sc(nc1C)C 62a_100000760948_100000183381 [0,2,0,0,0,0|2,0,0]=4 2312 B15R1.9902 CCOC(=O)CCSc1sc(nc1C)C 62a_100000765890_100009814099 [0,2,0,0,0,0|2,0,0]=4 2313 B15R1.9902 CCOC(=O)CCSc1sc(nc1C)C 62a_100009814099_100000765890 [0,2,0,0,0,0|2,0,0]=4 2314 B15R1.9902 CCOC(=O)CCSc1sc(nc1C)N 62a_100000765890_100159269596 [0,2,0,0,0,0|2,0,0]=4 2315 B15R1.9902 CCOC(=O)CCSc1sc(nc1C)N 62a_100159269596_100000765890 [0,2,0,0,0,0|2,0,0]=4 2316 B15R1.9902 CCOC(=O)CNCc1sc(nc1C)C 2230a_100000761763_100000188475 [0,2,0,0,0,0|2,0,0]=4 2317 B15R1.9902 CCOC(=O)COCc1sc(nc1C)Br 7a_100010264302_100000188475 [0,2,0,0,0,0|2,0,0]=4 2318 B15R1.9902 CCOC(=O)COCc1sc(nc1C)C 34a_100000750043_100000188475 [0,2,0,0,0,0|2,0,0]=4 2319 B15R1.9902 CCOC(=O)COCc1sc(nc1C)C 7a_100000750043_100000188475 [0,2,0,0,0,0|2,0,0]=4 2320 B15R1.9902 CCOC(=O)CSCc1sc(nc1C)C 62a_100000188475_100000760948 [0,2,0,0,0,0|2,0,0]=4 2321 B15R1.9902 CCOC(=O)CSCc1sc(nc1C)C 62a_100000760948_100000188475 [0,2,0,0,0,0|2,0,0]=4 2322 B15R1.9902 CCOC(=O)OCSc1sc(cc1C)C 62a_100000689295_100000075025 [0,2,0,0,0,0|2,0,0]=4 2323 B15R1.9902 CCOC(=O)OCSc1sc(nc1C)C 62a_100009814099_100000075025 [0,2,0,0,0,0|1,0,0]=3 2324 B15R1.9902 CCOC(=O)OCSc1sc(nc1C)N 62a_100159269596_100000075025 [0,2,0,0,0,0|1,0,0]=3 2325 B15R1.34550 CCCC(C)(C)OCCc1scnc1C 7a_100000748436_100000057103 [0,2,0,0,0,0|1,0,1]=4 2326 B15R1.34550 CCCS(=O)(=O)NCCc1scnc1C 270084a_100000238517_100000211391 [0,2,0,0,0,0|2,0,0]=4 2327 B15R1.34550 CCCS(=O)(=O)NCCc1scnc1C 274078a_100000238517_100000211391 [0,2,0,0,0,0|2,0,0]=4 2328 B15R1.34550 CCCS(=O)(=O)NCCc1scnc1C 40a_100000238517_100000054278 [0,2,0,0,0,0|2,0,0]=4 2329 B15R1.34550 Cc1ncsc1CCNS(=O)(=O)CCBr 270084a_100000238517_100000731045 [0,2,0,0,0,0|2,0,0]=4 2330 B15R1.34550 Cc1ncsc1CCNS(=O)(=O)CCBr 274078a_100000238517_100000731045 [0,2,0,0,0,0|2,0,0]=4 2331 B15R1.34550 Cc1ncsc1CCNS(=O)(=O)CCCl 270084a_100000238517_100000184613 [0,2,0,0,0,0|2,0,0]=4 2332 B15R1.34550 Cc1ncsc1CCNS(=O)(=O)CCCl 274078a_100000238517_100000184613 [0,2,0,0,0,0|2,0,0]=4 2333 B15R1.34550 Cc1ncsc1CCOC(C)(C)CCBr 7a_100000702414_100000057103 [0,2,0,0,0,0|1,0,1]=4 2334 B15R1.7796 CCS(=O)(=O)N(C)CCc1scnc1C 270084a_100025748334_100000211323 [0,2,0,0,0,0|2,0,0]=4 2335 B15R1.7796 CCS(=O)(=O)N(C)CCc1scnc1C 274078a_100025748334_100000211323 [0,2,0,0,0,0|2,0,0]=4 2336 B15R1.7796 CCS(=O)(=O)N(C)CCc1scnc1C 40a_100025748334_100000053943 [0,2,0,0,0,0|2,0,0]=4 2337 B15R1.11821 CCC(=O)C(C)NCc1sc(nc1C)C 2230a_100000761763_100000742827 [0,2,0,0,0,0|2,0,0]=4 2338 B15R1.11821 CCC(=O)C(C)OCc1sc(nc1C)Br 7a_100010264302_100000742827 [0,2,0,0,0,0|2,0,0]=4 2339 B15R1.11821 CCC(=O)C(C)OCc1sc(nc1C)C 7a_100000750043_100000742827 [0,2,0,0,0,0|2,0,0]=4 2340 B15R1.11821 CCC(=O)C(C)SCc1sc(nc1C)C 62a_100000742827_100000760948 [0,2,0,0,0,0|2,0,0]=4 2341 B15R1.11821 CCC(=O)C(C)SCc1sc(nc1C)C 62a_100000760948_100000742827 [0,2,0,0,0,0|2,0,0]=4 2342 B15R1.17892 CCc1nc(c(s1)SCOC(=O)OC)C 62a_100010138847_100000139417 [0,2,0,0,0,0|2,0,0]=4 2343 B15R1.18713 C#CC(C)(CC)OCCc1scnc1C 34a_100000686493_100000057103 [0,2,0,0,0,0|1,0,1]=4 2344 B15R1.18713 C#CC(C)(CC)OCCc1scnc1C 7a_100000686493_100000057103 [0,2,0,0,0,0|1,0,1]=4 2345 B15R1.18713 CCC(C)(C#N)OCCc1scnc1C 7a_100000760259_100000057103 [0,2,0,0,0,0|1,0,1]=4 2346 B15R1.18713 CCC(C)(CC)OCCc1scnc1C 7a_100000211055_100009817345 [0,2,0,0,0,0|1,0,1]=4 2347 B15R1.18713 CCC(C)(CC)OCCc1scnc1C 7a_100000755174_100000057103 [0,2,0,0,0,0|1,0,1]=4 2348 B13R2.361 Cc1ncsc1SC2CC(=O)C2 62a_100009894365_100009817116 [1,0,0,1,0,0|2,0,0]=4 2349 B13R2.430 CC(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_200000210301 [1,0,0,1,0,0|2,0,0]=4 2350 B13R2.430 CC(=O)N1CCc2sccc2C1 11a_100015185043_100015343762 [1,0,0,1,0,0|2,0,0]=4 2351 B13R2.430 CC(=O)N1CCc2sccc2C1 1626a_100015185043_100015343762 [1,0,0,1,0,0|2,0,0]=4 2352 B13R2.430 CC(=O)N1CCc2sccc2C1 240690a_100015185043_100015343762 [1,0,0,1,0,0|2,0,0]=4 2353 B13R2.430 CC(=O)N1CCc2sccc2C1 527a_100015185043_100103153847 [1,0,0,1,0,0|2,0,0]=4 2354 B13R2.430 [13CH3]C(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_200025704644 [1,0,0,1,0,0|2,0,0]=4 2355 B13R2.3140 Cc1ncsc1CCOC2CC2 34a_100000211055_100000211595 [1,0,0,1,0,0|1,0,1]=4 2356 B13R2.3152 Cc1ncsc1CCN2CCC2 269982a_100000754969_100000057103 [1,0,0,1,0,0|1,0,1]=4 2357 B13R2.142 O=C1OCC(O1)Sc2cncs2 62a_100011934649_100000032252 [1,0,0,1,0,0|2,0,0]=4 2358 B13R2.158 O=C1CCC1SCc2cncs2 62a_100009892977_100015185245 [1,0,0,1,0,0|2,0,0]=4 2359 B13R2.158 O=C1CCC1SCc2cncs2 62a_100015185245_100009892977 [1,0,0,1,0,0|2,0,0]=4 2360 B13R2.531 CCC(=O)C1Cc2nccn2C1 1458a_100010353305_100000210202 [0,0,0,1,1,0|2,0,0]=4 2361 B15R2.287 Cc1ccsc1CNC2COC(=O)O2 34a_100000238519_100000032252 [0,0,0,1,0,1|2,0,0]=4 2362 B15R2.287 Cc1ccsc1COC2COC(=O)O2 34a_100000238368_100000032252 [0,0,0,1,0,1|2,0,0]=4 2363 B15R2.287 Cc1ccsc1SCC2CNC(=O)O2 62a_100000181169_100010247149 [0,0,0,1,0,1|2,0,0]=4 2364 B15R2.287 Cc1ccsc1SCC2CNC(=O)O2 62a_100010247149_100000181169 [0,0,0,1,0,1|2,0,0]=4 2365 B15R2.287 Cc1ccsc1SCC2COC(=O)O2 62a_100000073702_100010247149 [0,0,0,1,0,1|2,0,0]=4 2366 B15R2.287 Cc1ccsc1SCC2COC(=O)O2 62a_100010247149_100000073702 [0,0,0,1,0,1|2,0,0]=4 2367 B15R2.287 Cc1ccsc1SC[C@@H]2CCC(=O)N2 62a_100010247149_100015189358 [0,0,0,1,0,1|2,0,0]=4 2368 B15R2.287 Cc1ccsc1SC[C@@H]2CCC(=O)N2 62a_100015189358_100010247149 [0,0,0,1,0,1|2,0,0]=4 2369 B15R2.287 Cc1ncoc1COC2COC(=O)O2 34a_100000717716_100000032252 [0,0,0,1,0,1|1,1,0]=4 2370 B15R2.287 Cc1ncsc1CCN2CNC(=O)C2 2230a_200000708111_100000057103 [0,0,0,1,0,1|2,0,0]=4 2371 B15R2.287 Cc1ncsc1CNC2CNC(=O)C2 207a_100000697751_100000764165 [0,0,0,1,0,1|2,0,0]=4 2372 B15R2.287 Cc1ncsc1COC2COC(=O)O2 34a_100000750112_100000032252 [0,0,0,1,0,1|1,0,0]=3 2373 B15R2.287 Cc1ncsc1SCC2CNC(=O)O2 62a_100000181169_100009817116 [0,0,0,1,0,1|1,0,0]=3 2374 B15R2.287 Cc1ncsc1SCC2CNC(=O)O2 62a_100009817116_100000181169 [0,0,0,1,0,1|1,0,0]=3 2375 B15R2.287 Cc1ncsc1SCC2COC(=O)O2 62a_100000073702_100009817116 [0,0,0,1,0,1|1,0,0]=3 2376 B15R2.287 Cc1ncsc1SCC2COC(=O)O2 62a_100009817116_100000073702 [0,0,0,1,0,1|1,0,0]=3 2377 B15R2.287 Cc1ncsc1SC[C@@H]2CCC(=O)N2 62a_100009817116_100015189358 [0,0,0,1,0,1|1,0,0]=3 2378 B15R2.287 Cc1ncsc1SC[C@@H]2CCC(=O)N2 62a_100015189358_100009817116 [0,0,0,1,0,1|1,0,0]=3 2379 B15R2.287 Cc1ncsc1SC[C@H]2COC(=O)N2 62a_100009817116_100015307671 [0,0,0,1,0,1|2,0,0]=4 2380 B15R2.287 Cc1ncsc1SC[C@H]2COC(=O)N2 62a_100015307671_100009817116 [0,0,0,1,0,1|2,0,0]=4 2381 B15R2.287 Cc1nnsc1COC2CCC(=O)C2 34a_100012614533_100000732739 [0,0,0,1,0,1|2,0,0]=4 2382 B15R2.287 Cc1nnsc1CSC2COC(=O)O2 62a_100000732739_100000032252 [0,0,0,1,0,1|2,0,0]=4 2383 B15R2.522 Cc1ccsc1SCCC2CCC2=O 62a_100010247149_200016118888 [0,0,0,1,0,1|2,0,0]=4 2384 B15R2.522 Cc1ccsc1SCCC2CCC2=O 62a_200016118888_100010247149 [0,0,0,1,0,1|2,0,0]=4 2385 B15R2.522 Cc1nccn1CCOC2CCC2=O 34a_100000702865_100009892977 [0,0,0,1,0,1|2,0,0]=4 2386 B15R2.522 Cc1nccn1CCOC2CCC2=O 7a_100000702865_100009892977 [0,0,0,1,0,1|2,0,0]=4 2387 B15R2.522 Cc1ncsc1CCNC2CCC2=O 34a_100000238517_100009892977 [0,0,0,1,0,1|1,0,0]=3 2388 B15R2.522 Cc1ncsc1CCOC2CCC2=O 34a_100000211055_100009892977 [0,0,0,1,0,1|0,0,0]=2 2389 B15R2.522 Cc1ncsc1CCOC2CCC2=O 7a_100000211055_100009892977 [0,0,0,1,0,1|0,0,0]=2 2390 B15R2.522 Cc1ncsc1CCSC2CCC2=O 62a_100000057103_100009892977 [0,0,0,1,0,1|0,1,0]=3 2391 B15R2.522 Cc1ncsc1CCSC2CCC2=O 62a_100009892977_100000057103 [0,0,0,1,0,1|0,1,0]=3 2392 B15R2.522 Cc1ncsc1SCCC2CCC2=O 62a_100009817116_200016118888 [0,0,0,1,0,1|1,0,0]=3 2393 B15R2.522 Cc1ncsc1SCCC2CCC2=O 62a_200016118888_100009817116 [0,0,0,1,0,1|1,0,0]=3 2394 B15R2.997 Cc1ncsc1CCOCC2CC2C 34a_100000744939_100000057103 [0,0,0,1,0,1|1,0,1]=4 2395 B15R2.997 Cc1ncsc1CCOCC2CC2C 7a_100000744939_100000057103 [0,0,0,1,0,1|1,0,1]=4 2396 B15R2.4343 CCC(=O)CN1CCc2sccc2C1 269982a_100015185043_100000747405 [0,0,0,1,0,1|2,0,0]=4 2397 B15R2.7609 Cc1ncsc1CCOCC2(CC2)C 7a_100000698024_100000057103 [0,0,0,1,0,1|1,0,1]=4 2398 B15R2.7609 Cc1ncsc1CCOCC2(CC2)F 34a_200000703853_100000057103 [0,0,0,1,0,1|1,0,1]=4 2399 B15R2.7609 Cc1ncsc1CCOCC2(CC2)F 7a_200000703853_100000057103 [0,0,0,1,0,1|1,0,1]=4 2400 B15R2.13901 Cc1ncsc1CCOCC2CCC2 34a_100000211055_100000763275 [0,0,0,1,0,1|1,0,1]=4 2401 B15R2.13901 Cc1ncsc1CCOCC2CCC2 34a_100000760304_100000057103 [0,0,0,1,0,1|1,0,1]=4 2402 B15R2.13901 Cc1ncsc1CCOCC2CCC2 7a_100000211055_100000763275 [0,0,0,1,0,1|1,0,1]=4 2403 B15R2.13901 Cc1ncsc1CCOCC2CCO2 34a_100000039022_100000057103 [0,0,0,1,0,1|0,0,2]=4 2404 B15R2.13901 Cc1ncsc1CCOCC2CCO2 34a_100000211055_100000103362 [0,0,0,1,0,1|0,0,2]=4 2405 B15R2.13901 Cc1ncsc1CCOCC2CCO2 7a_100000211055_100000103362 [0,0,0,1,0,1|0,0,2]=4 2406 B15R2.1601 CCC(=O)N1CCc2cccnc2C1 11a_100015206102_100000210414 [0,0,0,1,0,1|2,0,0]=4 2407 B15R2.1601 CCC(=O)N1CCc2cccnc2C1 1626a_100015206102_100000210414 [0,0,0,1,0,1|2,0,0]=4 2408 B15R2.1601 CCC(=O)N1CCc2cccnc2C1 240690a_100015206102_100000210414 [0,0,0,1,0,1|2,0,0]=4 2409 B15R2.1601 CCC(=O)N1CCc2cccnc2C1 527a_100015206102_100000210414 [0,0,0,1,0,1|2,0,0]=4 2410 B15R2.1601 CCC(=O)N1CCc2ccncc2C1 11a_100015190008_100000210414 [0,0,0,1,0,1|2,0,0]=4 2411 B15R2.1601 CCC(=O)N1CCc2ccncc2C1 240690a_100015190008_100000210414 [0,0,0,1,0,1|2,0,0]=4 2412 B15R2.1601 CCC(=O)N1CCc2ccncc2C1 527a_100015190008_100000210414 [0,0,0,1,0,1|2,0,0]=4 2413 B15R2.1601 CCC(=O)N1CCc2ncncc2C1 11a_100012000121_100000210414 [0,0,0,1,0,1|2,0,0]=4 2414 B15R2.1601 CCC(=O)N1CCc2ncncc2C1 240690a_100012000121_100000210414 [0,0,0,1,0,1|2,0,0]=4 2415 B15R2.1601 CCC(=O)N1CCc2ncncc2C1 527a_100012000121_100000210414 [0,0,0,1,0,1|2,0,0]=4 2416 B15R2.1586 CCC(=O)N1CCc2sccc2C1C 11a_100000018849_100000210414 [0,1,0,1,0,0|2,0,0]=4 2417 B15R2.1586 CCC(=O)N1CCc2sccc2C1C 240690a_100000018849_100000210414 [0,1,0,1,0,0|2,0,0]=4 2418 B15R2.1586 CCC(=O)N1CCc2sccc2C1C 527a_100000018849_100000210414 [0,1,0,1,0,0|2,0,0]=4 2419 B15R2.996 CC1=CC(OC1=O)Sc2scnc2C 62a_100009817116_200009893386 [0,1,0,1,0,0|1,0,1]=4 2420 B15R2.996 CC1=CC(OC1=O)Sc2scnc2C 62a_200009893386_100009817116 [0,1,0,1,0,0|1,0,1]=4 2421 B15R2.4239 CC(C)C(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_100000210206 [0,1,0,1,0,0|2,0,0]=4 2422 B15R2.4239 CC(C)C(=O)N1CCc2sccc2C1 11a_100015185043_100000210198 [0,1,0,1,0,0|2,0,0]=4 2423 B15R2.4239 CC(C)C(=O)N1CCc2sccc2C1 1626a_100015185043_100000210198 [0,1,0,1,0,0|2,0,0]=4 2424 B15R2.4239 CC(C)C(=O)N1CCc2sccc2C1 240690a_100015185043_100000210198 [0,1,0,1,0,0|2,0,0]=4 2425 B15R2.4239 CC(C)C(=O)N1CCc2sccc2C1 527a_100015185043_100000210198 [0,1,0,1,0,0|2,0,0]=4 2426 B15R2.4239 CC(F)C(=O)N1CCc2sccc2C1 11a_100015185043_100000062450 [0,1,0,1,0,0|2,0,0]=4 2427 B15R2.4239 CC(F)C(=O)N1CCc2sccc2C1 1626a_100015185043_100000062450 [0,1,0,1,0,0|2,0,0]=4 2428 B15R2.4239 CC(F)C(=O)N1CCc2sccc2C1 240690a_100015185043_100000062450 [0,1,0,1,0,0|2,0,0]=4 2429 B15R2.4239 CC(F)C(=O)N1CCc2sccc2C1 527a_100015185043_100000062450 [0,1,0,1,0,0|2,0,0]=4 2430 B15R2.4239 C[C@@H](O)C(=O)N1CCc2sccc2C1 240690a_100015185043_100000717761 [0,1,0,1,0,0|2,0,0]=4 2431 B15R2.4239 C[C@H](O)C(=O)N1CCc2sccc2C1 1626a_100015185043_217856618621 [0,1,0,1,0,0|2,0,0]=4 2432 B15R2.4239 C[C@H](O)C(=O)N1CCc2sccc2C1 240690a_100015185043_217856618621 [0,1,0,1,0,0|2,0,0]=4 2433 B15R2.7643 Cc1ccsc1SCOC(=O)C2CC2 62a_100000140896_100010247149 [0,1,0,1,0,0|2,0,0]=4 2434 B15R2.7643 Cc1ccsc1SCOC(=O)C2CC2 62a_100010247149_100000140896 [0,1,0,1,0,0|2,0,0]=4 2435 B15R2.7643 Cc1ncsc1CCNC(=O)C2CC2 11a_100000238517_100000210395 [0,1,0,1,0,0|1,0,0]=3 2436 B15R2.7643 Cc1ncsc1CCNC(=O)C2CC2 1626a_100000238517_100000210395 [0,1,0,1,0,0|1,0,0]=3 2437 B15R2.7643 Cc1ncsc1CCNC(=O)C2CC2 240690a_100000238517_100000210395 [0,1,0,1,0,0|1,0,0]=3 2438 B15R2.7643 Cc1ncsc1CCNC(=O)C2CC2 527a_100000238517_100000210395 [0,1,0,1,0,0|1,0,0]=3 2439 B15R2.7643 Cc1ncsc1CCNC(=O)C2CO2 11a_100000238517_100000701028 [0,1,0,1,0,0|1,0,0]=3 2440 B15R2.7643 Cc1ncsc1CCNC(=O)C2CO2 1626a_100000238517_100000701028 [0,1,0,1,0,0|1,0,0]=3 2441 B15R2.7643 Cc1ncsc1CCNC(=O)C2CO2 240690a_100000238517_100000701028 [0,1,0,1,0,0|1,0,0]=3 2442 B15R2.7643 Cc1ncsc1CCNC(=O)C2CO2 527a_100000238517_100000701028 [0,1,0,1,0,0|1,0,0]=3 2443 B15R2.7643 Cc1ncsc1CCOC(C)C2CC2 34a_100000744524_100000057103 [0,1,0,1,0,0|1,0,1]=4 2444 B15R2.7643 Cc1ncsc1CCOC(C)C2CC2 7a_100000744524_100000057103 [0,1,0,1,0,0|1,0,1]=4 2445 B15R2.7643 Cc1ncsc1CNCC(=O)C2CC2 2230a_100000752186_100000746382 [0,1,0,1,0,0|2,0,0]=4 2446 B15R2.7643 Cc1ncsc1COCC(=O)C2CC2 34a_100000750112_100000746382 [0,1,0,1,0,0|2,0,0]=4 2447 B15R2.7643 Cc1ncsc1COCC(=O)C2CC2 7a_100000750112_100000746382 [0,1,0,1,0,0|2,0,0]=4 2448 B15R2.7643 Cc1ncsc1SCOC(=O)C2CC2 62a_100000140896_100009817116 [0,1,0,1,0,0|1,0,0]=3 2449 B15R2.7643 Cc1ncsc1SCOC(=O)C2CC2 62a_100009817116_100000140896 [0,1,0,1,0,0|1,0,0]=3 2450 B15R2.404 Cc1ncsc1CCOC2CCCC2 34a_100000210269_100000057103 [0,1,0,1,0,0|1,0,1]=4 2451 B15R2.404 Cc1ncsc1CCOC2CCCC2 34a_100000211055_100000179811 [0,1,0,1,0,0|1,0,1]=4 2452 B15R2.404 Cc1ncsc1CCOC2CCCC2 7a_100000210269_100000057103 [0,1,0,1,0,0|1,0,1]=4 2453 B15R2.404 Cc1ncsc1CCOC2CCCC2 7a_100000211055_100000179811 [0,1,0,1,0,0|1,0,1]=4 2454 B15R2.404 Cc1ncsc1CCOC2CCCO2 34a_100000085407_100000057103 [0,1,0,1,0,0|0,0,2]=4 2455 B15R2.404 Cc1ncsc1CCOC2CCOC2 34a_100000211055_100000690089 [0,1,0,1,0,0|0,0,2]=4 2456 B15R2.404 Cc1ncsc1CCOC2CCOC2 7a_100000211055_100000731011 [0,1,0,1,0,0|0,0,2]=4 2457 B15R2.404 Cc1ncsc1CCOC2CCSC2 7a_100011232664_100000057103 [0,1,0,1,0,0|0,1,1]=4 2458 B15R2.404 Cc1ncsc1CCO[C@H]2CCOC2 34a_100000717292_100000057103 [0,1,0,1,0,0|0,0,2]=4 2459 B15R2.411 Cc1ncsc1CNC2CCCC2=O 2230a_100000752186_100000211823 [0,1,0,1,0,0|2,0,0]=4 2460 B15R2.411 Cc1ncsc1CNC2CCOC2=O 2230a_100000752186_100000211211 [0,1,0,1,0,0|2,0,0]=4 2461 B15R2.411 Cc1ncsc1COC2CCCC2=O 34a_100000750112_100000709159 [0,1,0,1,0,0|2,0,0]=4 2462 B15R2.411 Cc1ncsc1COC2CCCC2=O 7a_100000750112_100000211823 [0,1,0,1,0,0|2,0,0]=4 2463 B15R2.411 Cc1ncsc1COC2CCOC2=O 34a_100000750112_100000211211 [0,1,0,1,0,0|2,0,0]=4 2464 B15R2.411 Cc1ncsc1COC2CCOC2=O 7a_100000750112_100000211211 [0,1,0,1,0,0|2,0,0]=4 2465 B15R2.411 Cc1ncsc1SCN2CCCC2=O 62a_100000026320_100009817116 [0,1,0,1,0,0|2,0,0]=4 2466 B15R2.411 Cc1ncsc1SCN2CCCC2=O 62a_100009817116_100000026320 [0,1,0,1,0,0|2,0,0]=4 2467 B15R2.1350 CCCC(=O)C1CCc2[nH]cnc2C1 1458a_100015190355_100000210303 [0,1,0,1,0,0|2,0,0]=4 2468 B15R2.1350 CCCC(=O)N1CCc2sccc2C1 11a_100015185043_100000211992 [0,1,0,1,0,0|2,0,0]=4 2469 B15R2.1350 CCCC(=O)N1CCc2sccc2C1 1626a_100015185043_100000211992 [0,1,0,1,0,0|2,0,0]=4 2470 B15R2.1350 CCCC(=O)N1CCc2sccc2C1 240690a_100015185043_100000211992 [0,1,0,1,0,0|2,0,0]=4 2471 B15R2.1350 CCCC(=O)N1CCc2sccc2C1 527a_100015185043_100000211992 [0,1,0,1,0,0|2,0,0]=4 2472 B15R2.1350 CCNC(=O)C1CCc2[nH]cnc2C1 240690a_100015525214_100015190355 [0,1,0,1,0,0|2,0,0]=4 2473 B15R2.1350 CCNC(=O)C1CCc2[nH]cnc2C1 527a_100015525214_100015190355 [0,1,0,1,0,0|2,0,0]=4 2474 B15R2.1350 CCNC(=O)N1CCc2sccc2C1 2708a_100015525214_100015185043 [0,1,0,1,0,0|2,0,0]=4 2475 B15R2.1350 CCNC(=O)N1CCc2sccc2C1 273464a_100015525214_100015185043 [0,1,0,1,0,0|2,0,0]=4 2476 B15R2.1350 CNCC(=O)N1CCc2sccc2C1 2230a_106832991635_100000244763 [0,1,0,1,0,0|2,0,0]=4 2477 B15R2.1350 CNCC(=O)N1CCc2sccc2C1 34a_100102657272_100000244763 [0,1,0,1,0,0|2,0,0]=4 2478 B15R2.1350 CNCC(=O)N1CCc2sccc2C1 7a_106832991635_100000244763 [0,1,0,1,0,0|2,0,0]=4 2479 B15R2.1350 COCC(=O)N1CCc2sccc2C1 11a_100015185043_100000210968 [0,1,0,1,0,0|2,0,0]=4 2480 B15R2.1350 COCC(=O)N1CCc2sccc2C1 1626a_100015185043_100000210968 [0,1,0,1,0,0|2,0,0]=4 2481 B15R2.1350 COCC(=O)N1CCc2sccc2C1 240690a_100015185043_100000210968 [0,1,0,1,0,0|2,0,0]=4 2482 B15R2.1350 COCC(=O)N1CCc2sccc2C1 34a_100138415774_100000244763 [0,1,0,1,0,0|2,0,0]=4 2483 B15R2.1350 COCC(=O)N1CCc2sccc2C1 527a_100015185043_100000210968 [0,1,0,1,0,0|2,0,0]=4 2484 B15R2.1350 CSCC(=O)N1CCc2sccc2C1 11a_100015185043_100000184570 [0,1,0,1,0,0|2,0,0]=4 2485 B15R2.1350 CSCC(=O)N1CCc2sccc2C1 1626a_100015185043_100000184570 [0,1,0,1,0,0|2,0,0]=4 2486 B15R2.1350 CSCC(=O)N1CCc2sccc2C1 240690a_100015185043_100000184570 [0,1,0,1,0,0|2,0,0]=4 2487 B15R2.1350 CSCC(=O)N1CCc2sccc2C1 527a_100015185043_100000184570 [0,1,0,1,0,0|2,0,0]=4 2488 B15R2.1350 CSCC(=O)N1CCc2sccc2C1 62a_100000244763_200000210301 [0,1,0,1,0,0|2,0,0]=4 2489 B15R2.1350 CSCC(=O)N1CCc2sccc2C1 62a_200000210301_100000244763 [0,1,0,1,0,0|2,0,0]=4 2490 B15R2.1350 O=C(CCF)C1CCc2[nH]cnc2C1 1458a_100015190355_100011217306 [0,1,0,1,0,0|2,0,0]=4 2491 B15R2.1350 O=C(CCO)C1CCc2[nH]cnc2C1 1458a_100015190355_100000211926 [0,1,0,1,0,0|2,0,0]=4 2492 B15R2.1350 O=C(CCO)N1CCc2sccc2C1 240690a_100015185043_100011216618 [0,1,0,1,0,0|2,0,0]=4 2493 B15R2.1350 [13CH3]SCC(=O)N1CCc2sccc2C1 62a_100000244763_200025704644 [0,1,0,1,0,0|2,0,0]=4 2494 B15R2.1350 [13CH3]SCC(=O)N1CCc2sccc2C1 62a_200025704644_100000244763 [0,1,0,1,0,0|2,0,0]=4 2495 B15R2.17185 CCOC(=O)C1CC1c2sccc2C 271570a_100010780539_100000742657 [0,1,0,1,0,0|2,0,0]=4 2496 B15R2.17185 CCOC(=O)C1CC1c2scnc2C 271570a_100010780539_100009817116 [0,1,0,1,0,0|1,0,0]=3 2497 B15R2.44071 Cc1ncsc1CCOC2(CCC2)C 34a_100000759064_100000057103 [0,1,0,1,0,0|1,0,1]=4 2498 B15R2.44071 Cc1ncsc1CCOC2(CCC2)C 7a_100000759064_100000057103 [0,1,0,1,0,0|1,0,1]=4 2499 B15R2.44071 Cc1ncsc1CCOC2(CSC2)C 7a_100016018533_100000057103 [0,1,0,1,0,0|1,0,1]=4 2500 B15R2.6884 Cc1nc(c(s1)SC2COC(=O)O2)C 62a_100009814099_100000032252 [0,1,0,1,0,0|2,0,0]=4 2501 B15R2.6884 Cc1nc(sc1SC2COC(=O)O2)N 62a_100159269596_100000032252 [0,1,0,1,0,0|2,0,0]=4 2502 B15R2.7227 Cc1nc(c(s1)COC2CCC2=O)C 34a_100000750043_100009892977 [0,1,0,1,0,0|2,0,0]=4 2503 B15R2.7227 Cc1nc(c(s1)COC2CCC2=O)C 7a_100000750043_100009892977 [0,1,0,1,0,0|2,0,0]=4 2504 B15R2.7227 Cc1nc(c(s1)CSC2CCC2=O)C 62a_100000760948_100009892977 [0,1,0,1,0,0|2,0,0]=4 2505 B15R2.7227 Cc1nc(c(s1)CSC2CCC2=O)C 62a_100009892977_100000760948 [0,1,0,1,0,0|2,0,0]=4 2506 B15R2.7227 Cc1nc(sc1COC2CCC2=O)Br 7a_100010264302_100009892977 [0,1,0,1,0,0|2,0,0]=4 2507 B15R2.19280 CCC(=O)N1CCc2sc(cc2C1)Br 11a_100025757484_100000210414 [0,1,0,1,0,0|2,0,0]=4 2508 B15R2.19280 CCC(=O)N1CCc2sc(cc2C1)Br 240690a_100025757484_100000210414 [0,1,0,1,0,0|2,0,0]=4 2509 B15R2.19280 CCC(=O)N1CCc2sc(cc2C1)Br 527a_100025757484_100000210414 [0,1,0,1,0,0|2,0,0]=4 2510 B15R2.19280 CCC(=O)N1CCc2sc(nc2C1)C 11a_202275494904_100000210414 [0,1,0,1,0,0|1,0,0]=3 2511 B15R2.19280 CCC(=O)N1CCc2sc(nc2C1)C 1626a_202275494904_100000210414 [0,1,0,1,0,0|1,0,0]=3 2512 B15R2.19280 CCC(=O)N1CCc2sc(nc2C1)C 240690a_202275494904_100000210414 [0,1,0,1,0,0|1,0,0]=3 2513 B15R2.19280 CCC(=O)N1CCc2sc(nc2C1)C 527a_202275494904_100000210414 [0,1,0,1,0,0|1,0,0]=3 2514 B15R2.19280 CNC(=O)N1CCc2sc(nc2C1)C 2708a_100102657272_202275494904 [0,1,0,1,0,0|2,0,0]=4 2515 B15R2.19280 CNC(=O)N1CCc2sc(nc2C1)C 273464a_100102657272_202275494904 [0,1,0,1,0,0|2,0,0]=4 2516 B15R2.19280 Cc1nc2c(s1)CCN(C2)C(=O)CO 240690a_202275494904_100000210174 [0,1,0,1,0,0|2,0,0]=4 2517 B15R2.19280 Cc1nc2c(s1)CCN(C2)C(=O)CO 527a_202275494904_100000210174 [0,1,0,1,0,0|2,0,0]=4 2518 B15R2.5097 Cc1ncsc1CCOC2(CC2)C#N 34a_100000211055_100009889376 [0,1,0,1,0,0|1,0,1]=4 2519 B11R1.90 C=C(C)CSc1scnc1C 62a_100000748629_100009817116 [1,0,0,0,1,0|2,0,0]=4 2520 B11R1.90 C=C(C)CSc1scnc1C 62a_100009817116_100000211660 [1,0,0,0,1,0|2,0,0]=4 2521 B11R1.90 CC(=O)CCc1ccnn1C 1458a_100000763893_200000210301 [1,0,0,0,1,0|2,0,0]=4 2522 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [1,0,0,0,1,0|0,0,0]=2 2523 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [1,0,0,0,1,0|0,0,0]=2 2524 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000070787_100000742477 [1,0,0,0,1,0|2,0,0]=4 2525 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000186006_200000210301 [1,0,0,0,1,0|2,0,0]=4 2526 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [1,0,0,0,1,0|2,0,0]=4 2527 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [1,0,0,0,1,0|2,0,0]=4 2528 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [1,0,0,0,1,0|2,0,0]=4 2529 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [1,0,0,0,1,0|2,0,0]=4 2530 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [1,0,0,0,1,0|1,0,0]=3 2531 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [1,0,0,0,1,0|1,0,0]=3 2532 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [1,0,0,0,1,0|1,0,0]=3 2533 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [1,0,0,0,1,0|1,0,0]=3 2534 B11R1.90 CC(=O)NCc1snnc1C 11a_100000732738_100015343762 [1,0,0,0,1,0|2,0,0]=4 2535 B11R1.90 CC(=O)NCc1snnc1C 240690a_100000732738_100015343762 [1,0,0,0,1,0|2,0,0]=4 2536 B11R1.90 CC(=O)NCc1snnc1C 527a_100000732738_100103153847 [1,0,0,0,1,0|2,0,0]=4 2537 B11R1.90 Cc1nccn1CCC(=O)[13CH3] 1458a_100000186006_200025704644 [1,0,0,0,1,0|2,0,0]=4 2538 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [1,0,0,0,1,0|0,0,0]=2 2539 B11R1.90 Cc1ncsc1CCN(C)C 2230a_100025748334_200000210301 [1,0,0,0,1,0|2,0,0]=4 2540 B11R1.90 Cc1ncsc1CCN(C)C 2230a_100102631434_100000057103 [1,0,0,0,1,0|2,0,0]=4 2541 B11R1.90 Cc1ncsc1CCN(C)C 269982a_100025748334_200000210301 [1,0,0,0,1,0|2,0,0]=4 2542 B11R1.90 Cc1ncsc1CCN(C)C 269982a_100102631434_100000057103 [1,0,0,0,1,0|2,0,0]=4 2543 B11R1.90 Cc1ncsc1CCN(C)[13CH3] 2230a_100025748334_200025704644 [1,0,0,0,1,0|2,0,0]=4 2544 B11R1.90 Cc1ncsc1CCN(C)[13CH3] 269982a_100025748334_200025704644 [1,0,0,0,1,0|2,0,0]=4 2545 B11R1.90 Cc1ncsc1COC(C)C 34a_100000750112_100000210206 [1,0,0,0,1,0|1,0,1]=4 2546 B11R1.90 Cc1ncsc1COC(C)C 7a_100000750112_100000210206 [1,0,0,0,1,0|1,0,1]=4 2547 B11R1.90 Cc1ncsc1SCC(=O)N 62a_100000747473_100009817116 [1,0,0,0,1,0|2,0,0]=4 2548 B11R1.90 Cc1ncsc1SCC(=O)N 62a_100009817116_100000747473 [1,0,0,0,1,0|2,0,0]=4 2549 B11R1.90 Cc1ncsc1SCC(=O)[O-] 62a_100009817116_100020667443 [1,0,0,0,1,0|2,0,0]=4 2550 B11R1.90 Cc1ncsc1SCC(=O)[O-] 62a_100020667443_100009817116 [1,0,0,0,1,0|2,0,0]=4 2551 B11R1.90 Cn1nccc1CCC(=O)[13CH3] 1458a_100000763893_200025704644 [1,0,0,0,1,0|2,0,0]=4 2552 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [1,0,0,0,1,0|1,0,1]=4 2553 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [1,0,0,0,1,0|1,0,1]=4 2554 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [1,0,0,0,1,0|2,0,0]=4 2555 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [1,0,0,0,1,0|1,1,0]=4 2556 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [1,0,0,0,1,0|1,0,0]=3 2557 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [1,0,0,0,1,0|1,0,0]=3 2558 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [1,0,0,0,1,0|2,0,0]=4 2559 B11R1.25 CCC(=O)CCc1cn[nH]c1 1458a_100000210414_100000743252 [1,0,0,0,1,0|2,0,0]=4 2560 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [1,0,0,0,1,0|1,0,0]=3 2561 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [1,0,0,0,1,0|0,0,0]=2 2562 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [1,0,0,0,1,0|2,0,0]=4 2563 B11R1.25 CCC(=O)CCn1ccnc1 1458a_100000176952_100000210202 [1,0,0,0,1,0|2,0,0]=4 2564 B11R1.25 CCC(=O)CCn1ccnc1 1458a_100000210414_100000702546 [1,0,0,0,1,0|2,0,0]=4 2565 B11R1.25 CCC(=O)CCn1cncn1 1458a_100000210414_100000731791 [1,0,0,0,1,0|2,0,0]=4 2566 B11R1.25 CCC(=O)CCn1cncn1 1458a_100000242768_100000210202 [1,0,0,0,1,0|2,0,0]=4 2567 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [1,0,0,0,1,0|2,0,0]=4 2568 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [1,0,0,0,1,0|2,0,0]=4 2569 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [1,0,0,0,1,0|1,1,0]=4 2570 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [1,0,0,0,1,0|1,1,0]=4 2571 B11R1.25 CCC(=O)CSc1cncs1 62a_100000747405_100011934649 [1,0,0,0,1,0|1,0,0]=3 2572 B11R1.25 CCC(=O)CSc1cncs1 62a_100011934649_100000747405 [1,0,0,0,1,0|1,0,0]=3 2573 B11R1.25 CCC(=O)CSc1nncs1 62a_100000739804_100000747405 [1,0,0,0,1,0|2,0,0]=4 2574 B11R1.25 CCC(=O)CSc1nncs1 62a_100000747405_100000739804 [1,0,0,0,1,0|2,0,0]=4 2575 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [1,0,0,0,1,0|2,0,0]=4 2576 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [1,0,0,0,1,0|2,0,0]=4 2577 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [1,0,0,0,1,0|2,0,0]=4 2578 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [1,0,0,0,1,0|2,0,0]=4 2579 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [1,0,0,0,1,0|1,1,0]=4 2580 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [1,0,0,0,1,0|1,1,0]=4 2581 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [1,0,0,0,1,0|1,1,0]=4 2582 B11R1.25 CCC(=O)NCc1cncs1 11a_100016987365_100000210414 [1,0,0,0,1,0|1,0,0]=3 2583 B11R1.25 CCC(=O)NCc1cncs1 240690a_100016987365_100000210414 [1,0,0,0,1,0|1,0,0]=3 2584 B11R1.25 CCC(=O)NCc1cncs1 527a_100016987365_100000210414 [1,0,0,0,1,0|1,0,0]=3 2585 B11R1.25 CCC(C)OCc1cncs1 7a_100000210228_100015185245 [1,0,0,0,1,0|1,0,1]=4 2586 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [1,0,0,0,1,0|2,0,0]=4 2587 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [1,0,0,0,1,0|2,0,0]=4 2588 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [1,0,0,0,1,0|2,0,0]=4 2589 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [1,0,0,0,1,0|2,0,0]=4 2590 B11R1.25 CNC(=O)CCc1cnc[nH]1 240690a_100102657272_100000044180 [1,0,0,0,1,0|2,0,0]=4 2591 B11R1.25 CNC(=O)CCc1cnc[nH]1 527a_100102657272_100000044180 [1,0,0,0,1,0|2,0,0]=4 2592 B11R1.25 CNC(=O)CCc1cncs1 11a_106832991635_100012184922 [1,0,0,0,1,0|1,0,0]=3 2593 B11R1.25 CNC(=O)CCc1cncs1 1626a_100102657272_100012184922 [1,0,0,0,1,0|1,0,0]=3 2594 B11R1.25 CNC(=O)CCc1cncs1 240690a_100102657272_100012184922 [1,0,0,0,1,0|1,0,0]=3 2595 B11R1.25 CNC(=O)CCc1cncs1 527a_100102657272_100012184922 [1,0,0,0,1,0|1,0,0]=3 2596 B11R1.25 CNC(=O)CSc1cncs1 62a_100000183359_100011934649 [1,0,0,0,1,0|2,0,0]=4 2597 B11R1.25 CNC(=O)CSc1cncs1 62a_100011934649_100000183359 [1,0,0,0,1,0|2,0,0]=4 2598 B11R1.25 CNC(=O)NCc1cncs1 2708a_100016987365_106832991635 [1,0,0,0,1,0|2,0,0]=4 2599 B11R1.25 CNC(=O)NCc1cncs1 2708a_100102657272_100016987365 [1,0,0,0,1,0|2,0,0]=4 2600 B11R1.25 CNC(=O)NCc1cncs1 273464a_100016987365_100102657272 [1,0,0,0,1,0|2,0,0]=4 2601 B11R1.25 CNC(=O)NCc1cncs1 273464a_100102657272_100016987365 [1,0,0,0,1,0|2,0,0]=4 2602 B11R1.25 CNC(=O)NCc1cncs1 512a_100016987365_100102657272 [1,0,0,0,1,0|2,0,0]=4 2603 B11R1.25 CNC(=O)NCc1cncs1 512a_106832991638_100016987365 [1,0,0,0,1,0|2,0,0]=4 2604 B11R1.25 COC(=O)CSc1cncs1 62a_100000747449_100011934649 [1,0,0,0,1,0|2,0,0]=4 2605 B11R1.25 COC(=O)CSc1cncs1 62a_100011934649_100000747449 [1,0,0,0,1,0|2,0,0]=4 2606 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [1,0,0,0,1,0|2,0,0]=4 2607 B11R1.25 O=C(CF)CCc1cnc[nH]1 1458a_100000044180_100015361967 [1,0,0,0,1,0|2,0,0]=4 2608 B11R1.25 O=C(CF)CCc1cncs1 1458a_100012184922_100015361967 [1,0,0,0,1,0|1,0,0]=3 2609 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [1,0,0,0,1,0|2,0,0]=4 2610 B11R1.25 O=C(CO)NCc1cncs1 240690a_100016987365_100000210174 [1,0,0,0,1,0|2,0,0]=4 2611 B11R1.25 O=C(CO)NCc1cncs1 527a_100016987365_100000210174 [1,0,0,0,1,0|2,0,0]=4 2612 B11R1.228 CCC(=O)Cc1ccnn1C 1458a_100000210414_100000691648 [0,0,0,0,2,0|2,0,0]=4 2613 B11R1.228 CCC(=O)Cc1nc[nH]c1C 1458a_100000210414_100000751220 [0,0,0,0,2,0|1,0,1]=4 2614 B11R1.228 CCC(=O)Cc1ncoc1C 1458a_100000210414_200000693990 [0,0,0,0,2,0|2,0,0]=4 2615 B11R1.228 CCC(=O)Cc1nonc1C 1458a_100000210414_200000044682 [0,0,0,0,2,0|2,0,0]=4 2616 B11R1.228 CCC(=O)Cc1nonc1C 1458a_100000238572_100000210202 [0,0,0,0,2,0|2,0,0]=4 2617 B11R1.228 CCC(=O)Cc1snnc1C 1458a_100000210414_100000732739 [0,0,0,0,2,0|1,0,0]=3 2618 B11R1.228 CCC(=O)Cn1ccnc1C 1458a_100000740315_100000210202 [0,0,0,0,2,0|2,0,0]=4 2619 B11R1.228 Cc1nnsc1CC(=O)CO 1458a_100000210174_100000732739 [0,0,0,0,2,0|2,0,0]=4 2620 B13R1.149 CC(=O)OCOc1ccnc(c1)C 34a_100000688365_100009813279 [1,0,0,0,0,1|2,0,0]=4 2621 B13R1.149 CC(=O)OCSc1cc(ncn1)C 62a_100000076356_100000744208 [1,0,0,0,0,1|2,0,0]=4 2622 B13R1.149 CC(=O)OCSc1cc(ncn1)C 62a_100000744208_100000076356 [1,0,0,0,0,1|2,0,0]=4 2623 B13R1.149 CC(=O)OCSc1ccnc(c1)C 62a_100000076356_100000758586 [1,0,0,0,0,1|2,0,0]=4 2624 B13R1.149 CC(=O)OCSc1ccnc(c1)C 62a_100000758586_100000076356 [1,0,0,0,0,1|2,0,0]=4 2625 B13R1.149 CC(=O)OCSc1ccnc(n1)C 62a_100000076356_100000749937 [1,0,0,0,0,1|2,0,0]=4 2626 B13R1.149 CC(=O)OCSc1ccnc(n1)C 62a_100000749937_100000076356 [1,0,0,0,0,1|2,0,0]=4 2627 B13R1.158 CC(=O)OCOc1cccnc1C 34a_100000745507_100009813279 [1,0,0,0,0,1|2,0,0]=4 2628 B13R1.158 CC(=O)OCOc1ccncc1C 34a_100000694293_100009813279 [1,0,0,0,0,1|2,0,0]=4 2629 B13R1.158 CC(=O)OCOc1nccnc1C 34a_100000766352_100009813279 [1,0,0,0,0,1|2,0,0]=4 2630 B13R1.158 CC(=O)OCSc1cccnc1C 62a_100000076356_100000751574 [1,0,0,0,0,1|2,0,0]=4 2631 B13R1.158 CC(=O)OCSc1cccnc1C 62a_100000751574_100000076356 [1,0,0,0,0,1|2,0,0]=4 2632 B13R1.158 CC(=O)OCSc1ccncc1C 62a_100000076356_100000765111 [1,0,0,0,0,1|2,0,0]=4 2633 B13R1.158 CC(=O)OCSc1ccncc1C 62a_100000765111_100000076356 [1,0,0,0,0,1|2,0,0]=4 2634 B13R1.158 CC(=O)OCSc1cncnc1C 62a_100000076356_100009819671 [1,0,0,0,0,1|2,0,0]=4 2635 B13R1.158 CC(=O)OCSc1cncnc1C 62a_100009819671_100000076356 [1,0,0,0,0,1|2,0,0]=4 2636 B13R1.158 CC(=O)OCSc1nccnc1C 62a_100000076356_100011999405 [1,0,0,0,0,1|2,0,0]=4 2637 B13R1.158 CC(=O)OCSc1nccnc1C 62a_100011999405_100000076356 [1,0,0,0,0,1|2,0,0]=4 2638 B13R1.158 CC(=O)OCSc1ncncc1C 62a_100000076356_100011998708 [1,0,0,0,0,1|2,0,0]=4 2639 B13R1.158 CC(=O)OCSc1ncncc1C 62a_100011998708_100000076356 [1,0,0,0,0,1|2,0,0]=4 2640 B15R1.942 CCC(=O)COCCc1cccc(c1)C 34a_100000725409_100011713685 [0,0,0,0,0,2|2,0,0]=4 2641 B15R1.942 CCC(=O)COCCc1cccc(c1)C 7a_100011217157_100000747405 [0,0,0,0,0,2|2,0,0]=4 2642 B15R1.942 CCC(=O)NCCNc1cc(ncn1)C 27a_100132302217_100000744208 [0,0,0,0,0,2|2,0,0]=4 2643 B15R1.942 CCC(=O)NCCNc1ccnc(c1)C 27a_100132302217_100000758586 [0,0,0,0,0,2|2,0,0]=4 2644 B15R1.942 CCC(=O)NCCNc1ccnc(n1)C 27a_100132302217_100000749937 [0,0,0,0,0,2|2,0,0]=4 2645 B15R1.942 CNC(=O)OCCOc1ccnc(c1)C 34a_100000688365_200011997002 [0,0,0,0,0,2|2,0,0]=4 2646 B15R1.942 CNC(=O)OCCSc1cc(ncn1)C 62a_100000744208_200011997002 [0,0,0,0,0,2|2,0,0]=4 2647 B15R1.942 CNC(=O)OCCSc1cc(ncn1)C 62a_200011997002_100000744208 [0,0,0,0,0,2|2,0,0]=4 2648 B15R1.942 CNC(=O)OCCSc1ccnc(c1)C 62a_100000758586_200011997002 [0,0,0,0,0,2|2,0,0]=4 2649 B15R1.942 CNC(=O)OCCSc1ccnc(c1)C 62a_200011997002_100000758586 [0,0,0,0,0,2|2,0,0]=4 2650 B15R1.942 CNC(=O)OCCSc1ccnc(n1)C 62a_100000749937_200011997002 [0,0,0,0,0,2|2,0,0]=4 2651 B15R1.942 CNC(=O)OCCSc1ccnc(n1)C 62a_200011997002_100000749937 [0,0,0,0,0,2|2,0,0]=4 2652 B15R1.942 COC(=O)OCSCc1ccnc(c1)C 62a_200020672517_100000139417 [0,0,0,0,0,2|2,0,0]=4 2653 B15R1.1091 CCC(=O)COCCc1ccccc1C 34a_100000725409_100011713688 [0,0,0,0,0,2|2,0,0]=4 2654 B15R1.1091 CCC(=O)COCCc1ccccc1C 7a_100011220023_100000747405 [0,0,0,0,0,2|2,0,0]=4 2655 B15R1.1091 CCC(=O)COCCc1ncccc1C 7a_100011997706_100000747405 [0,0,0,0,0,2|2,0,0]=4 2656 B15R1.1091 CCC(=O)NCCNc1ccncc1C 27a_100132302217_100000765111 [0,0,0,0,0,2|2,0,0]=4 2657 B15R1.1091 CCC(=O)NCCNc1nccnc1C 27a_100132302217_100011999405 [0,0,0,0,0,2|2,0,0]=4 2658 B15R1.1091 CCC(=O)NCCNc1ncncc1C 27a_100132302217_100011998708 [0,0,0,0,0,2|2,0,0]=4 2659 B15R1.1091 CNC(=O)OCCOc1cccnc1C 34a_100000745507_200011997002 [0,0,0,0,0,2|2,0,0]=4 2660 B15R1.1091 CNC(=O)OCCOc1cccnc1C 7a_100000745507_200011997002 [0,0,0,0,0,2|2,0,0]=4 2661 B15R1.1091 CNC(=O)OCCOc1ccncc1C 34a_100000694293_200011997002 [0,0,0,0,0,2|2,0,0]=4 2662 B15R1.1091 CNC(=O)OCCOc1nccnc1C 34a_100000766352_200011997002 [0,0,0,0,0,2|2,0,0]=4 2663 B15R1.1091 CNC(=O)OCCSc1cccnc1C 62a_100000751574_200011997002 [0,0,0,0,0,2|2,0,0]=4 2664 B15R1.1091 CNC(=O)OCCSc1cccnc1C 62a_200011997002_100000751574 [0,0,0,0,0,2|2,0,0]=4 2665 B15R1.1091 CNC(=O)OCCSc1ccncc1C 62a_100000765111_200011997002 [0,0,0,0,0,2|2,0,0]=4 2666 B15R1.1091 CNC(=O)OCCSc1ccncc1C 62a_200011997002_100000765111 [0,0,0,0,0,2|2,0,0]=4 2667 B15R1.1091 CNC(=O)OCCSc1cncnc1C 62a_100009819671_200011997002 [0,0,0,0,0,2|2,0,0]=4 2668 B15R1.1091 CNC(=O)OCCSc1cncnc1C 62a_200011997002_100009819671 [0,0,0,0,0,2|2,0,0]=4 2669 B15R1.1091 CNC(=O)OCCSc1nccnc1C 62a_100011999405_200011997002 [0,0,0,0,0,2|2,0,0]=4 2670 B15R1.1091 CNC(=O)OCCSc1nccnc1C 62a_200011997002_100011999405 [0,0,0,0,0,2|2,0,0]=4 2671 B15R1.1091 CNC(=O)OCCSc1ncncc1C 62a_100011998708_200011997002 [0,0,0,0,0,2|2,0,0]=4 2672 B15R1.1091 CNC(=O)OCCSc1ncncc1C 62a_200011997002_100011998708 [0,0,0,0,0,2|2,0,0]=4 2673 B15R1.1091 COC(=O)OCSCc1cccnc1C 62a_100000732876_100000139417 [0,0,0,0,0,2|2,0,0]=4 2674 B15R1.1091 COC(=O)OCSCc1ccncc1C 62a_100020672808_100000139417 [0,0,0,0,0,2|2,0,0]=4 2675 B15R1.3174 C=CC(=O)OCCNCc1scnc1C 2230a_100000752186_100009813456 [0,0,0,0,0,2|0,0,2]=4 2676 B15R1.3174 C=CC(=O)OCCOCc1scnc1C 34a_100000750112_100009813456 [0,0,0,0,0,2|0,0,2]=4 2677 B15R1.3174 C=CC(=O)OCCOCc1scnc1C 7a_100000750112_100009813456 [0,0,0,0,0,2|0,0,2]=4 2678 B15R1.3174 CCC(=O)COCCCn1ccnc1C 34a_100000725409_100000690325 [0,0,0,0,0,2|2,0,0]=4 2679 B15R1.3174 CCC(=O)COCCCn1ccnc1C 7a_100015185905_100000747405 [0,0,0,0,0,2|2,0,0]=4 2680 B15R1.3174 CCC(=O)NCCNCc1sccc1C 207a_100132302217_100000210881 [0,0,0,0,0,2|2,0,0]=4 2681 B15R1.3174 CCC(=O)NCCNCc1sccc1C 270004a_100132302217_100000210881 [0,0,0,0,0,2|2,0,0]=4 2682 B15R1.3174 CCC(=O)NCCNCc1scnc1C 207a_100132302217_100000764165 [0,0,0,0,0,2|1,0,0]=3 2683 B15R1.3174 CCC(=O)NCCNCc1snnc1C 270004a_100132302217_100000732746 [0,0,0,0,0,2|2,0,0]=4 2684 B15R1.3174 CCC(=O)NCCNCc1snnc1C 34a_100132302217_100000732739 [0,0,0,0,0,2|2,0,0]=4 2685 B15R1.3174 CCC(=O)NCCOCc1snnc1C 34a_200000158885_100000732739 [0,0,0,0,0,2|2,0,0]=4 2686 B15R1.3174 CCC(=O)NCCOCc1snnc1C 7a_200000158885_100000732739 [0,0,0,0,0,2|2,0,0]=4 2687 B15R1.3174 CCC(=O)OCCOCc1ccnn1C 7a_200000031056_100000691648 [0,0,0,0,0,2|2,0,0]=4 2688 B15R1.3174 CCC(=O)OCCOCc1ncoc1C 7a_200000031056_200000693990 [0,0,0,0,0,2|2,0,0]=4 2689 B15R1.3174 CCC(=O)OCCOCc1nonc1C 7a_200000031056_200000044682 [0,0,0,0,0,2|2,0,0]=4 2690 B15R1.3174 CCC(=O)OCCOCc1snnc1C 7a_200000031056_100000732739 [0,0,0,0,0,2|1,0,0]=3 2691 B15R1.3174 CCC(C)CCOCCc1scnc1C 7a_100011215188_100000057103 [0,0,0,0,0,2|1,0,1]=4 2692 B15R1.3174 CNC(=O)CCCNCc1scnc1C 207a_100000740002_100000764165 [0,0,0,0,0,2|2,0,0]=4 2693 B15R1.3174 CNC(=O)CCCNCc1scnc1C 2230a_100000752186_100000741757 [0,0,0,0,0,2|2,0,0]=4 2694 B15R1.3174 CNC(=O)CCCOCc1scnc1C 34a_100000750112_100000741757 [0,0,0,0,0,2|2,0,0]=4 2695 B15R1.3174 CNC(=O)CCCOCc1scnc1C 7a_100000750112_100000741757 [0,0,0,0,0,2|2,0,0]=4 2696 B15R1.3174 CNC(=O)CCNCCc1scnc1C 2230a_100000238517_100000737683 [0,0,0,0,0,2|2,0,0]=4 2697 B15R1.3174 CNC(=O)CCNCCc1scnc1C 2230a_100000738227_100000057103 [0,0,0,0,0,2|2,0,0]=4 2698 B15R1.3174 CNC(=O)CCNCCc1scnc1C 34a_100000238517_100012179268 [0,0,0,0,0,2|2,0,0]=4 2699 B15R1.3174 CNC(=O)CCNCCc1scnc1C 34a_100000738227_100000057103 [0,0,0,0,0,2|2,0,0]=4 2700 B15R1.3174 CNC(=O)CCOCCc1scnc1C 34a_100000211055_100012179268 [0,0,0,0,0,2|1,0,0]=3 2701 B15R1.3174 CNC(=O)CCOCCc1scnc1C 34a_100000754576_100000057103 [0,0,0,0,0,2|1,0,0]=3 2702 B15R1.3174 CNC(=O)CCOCCc1scnc1C 7a_100000211055_100000737683 [0,0,0,0,0,2|1,0,0]=3 2703 B15R1.3174 CNC(=O)CCSCCc1scnc1C 62a_100000057103_100000737683 [0,0,0,0,0,2|1,1,0]=4 2704 B15R1.3174 CNC(=O)CCSCCc1scnc1C 62a_100000737683_100000057103 [0,0,0,0,0,2|1,1,0]=4 2705 B15R1.3174 CNC(=O)NCCNCc1scnc1C 207a_100015205895_100000764165 [0,0,0,0,0,2|2,0,0]=4 2706 B15R1.3174 CNC(=O)OCCNCc1sccc1C 34a_100000238519_200011997002 [0,0,0,0,0,2|2,0,0]=4 2707 B15R1.3174 CNC(=O)OCCOCc1ocnc1C 34a_100000717716_200011997002 [0,0,0,0,0,2|1,1,0]=4 2708 B15R1.3174 CNC(=O)OCCOCc1ocnc1C 7a_100000717716_200011997002 [0,0,0,0,0,2|1,1,0]=4 2709 B15R1.3174 CNC(=O)OCCOCc1sccc1C 34a_100000238368_200011997002 [0,0,0,0,0,2|2,0,0]=4 2710 B15R1.3174 CNC(=O)OCCOCc1sccc1C 7a_100000238368_200011997002 [0,0,0,0,0,2|2,0,0]=4 2711 B15R1.3174 CNC(=O)OCCOCc1scnc1Br 7a_100012000948_200011997002 [0,0,0,0,0,2|2,0,0]=4 2712 B15R1.3174 CNC(=O)OCCOCc1scnc1C 34a_100000750112_200011997002 [0,0,0,0,0,2|1,0,0]=3 2713 B15R1.3174 CNC(=O)OCCOCc1scnc1C 7a_100000750112_200011997002 [0,0,0,0,0,2|1,0,0]=3 2714 B15R1.3174 CNC(=O)OCCSCc1snnc1C 62a_100000732739_200011997002 [0,0,0,0,0,2|2,0,0]=4 2715 B15R1.3174 CNC(=O)OCCSCc1snnc1C 62a_200011997002_100000732739 [0,0,0,0,0,2|2,0,0]=4 2716 B15R1.3174 COC(=O)/C=C/CNCc1scnc1C 2230a_100000752186_100000742655 [0,0,0,0,0,2|2,0,0]=4 2717 B15R1.3174 COC(=O)/C=C/COCc1scnc1C 34a_100000750112_100000742655 [0,0,0,0,0,2|2,0,0]=4 2718 B15R1.3174 COC(=O)/C=C/COCc1scnc1C 7a_100000750112_100000742655 [0,0,0,0,0,2|2,0,0]=4 2719 B15R1.3174 COC(=O)CCCCSc1scnc1C 62a_100000204269_100009817116 [0,0,0,0,0,2|2,0,0]=4 2720 B15R1.3174 COC(=O)CCCCSc1scnc1C 62a_100009817116_100000204269 [0,0,0,0,0,2|2,0,0]=4 2721 B15R1.3174 COC(=O)CCCNCc1scnc1C 2230a_100000752186_100011218270 [0,0,0,0,0,2|2,0,0]=4 2722 B15R1.3174 COC(=O)CCCOCc1scnc1C 34a_100000750112_100000742333 [0,0,0,0,0,2|2,0,0]=4 2723 B15R1.3174 COC(=O)CCCOCc1scnc1C 7a_100000750112_100011218270 [0,0,0,0,0,2|2,0,0]=4 2724 B15R1.3174 COC(=O)CCNCCc1scnc1C 2230a_100000238517_100000204255 [0,0,0,0,0,2|2,0,0]=4 2725 B15R1.3174 COC(=O)CCNCCc1scnc1C 34a_100000238517_100000742370 [0,0,0,0,0,2|2,0,0]=4 2726 B15R1.3174 COC(=O)CCOCCc1scnc1C 34a_100000211055_100000742370 [0,0,0,0,0,2|1,0,0]=3 2727 B15R1.3174 COC(=O)CCOCCc1scnc1C 7a_100000211055_100000204255 [0,0,0,0,0,2|1,0,0]=3 2728 B15R1.3174 COC(=O)CCSCCc1scnc1C 62a_100000057103_100000204255 [0,0,0,0,0,2|1,1,0]=4 2729 B15R1.3174 COC(=O)CCSCCc1scnc1C 62a_100000204255_100000057103 [0,0,0,0,0,2|1,1,0]=4 2730 B15R1.3174 COC(=O)COCCSc1sccc1C 62a_100000090808_100010247149 [0,0,0,0,0,2|2,0,0]=4 2731 B15R1.3174 COC(=O)COCCSc1sccc1C 62a_100010247149_100000090808 [0,0,0,0,0,2|2,0,0]=4 2732 B15R1.3174 COC(=O)COCCSc1scnc1C 62a_100000090808_100009817116 [0,0,0,0,0,2|1,0,0]=3 2733 B15R1.3174 COC(=O)COCCSc1scnc1C 62a_100009817116_100000090808 [0,0,0,0,0,2|1,0,0]=3 2734 B15R1.3174 COC(=O)OCCOCc1snnc1C 34a_100010262106_100000732739 [0,0,0,0,0,2|2,0,0]=4 2735 B15R1.3174 COC(=O)OCSCCc1scnc1C 62a_100000057103_100000139417 [0,0,0,0,0,2|1,0,0]=3