0 B14R1.623 C=C(C)c1ccccc1C(=O)NCC 271570a_100000694244_200000155173 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.623 C=C(C)c1ccccc1C(=O)OCC 271570a_100000694244_100000169879 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.623 C=C(C)c1cccnc1C(=O)OCC 271570a_100000694244_100012351660 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.623 C=C(C)c1ccncc1C(=O)OCC 271570a_100000694244_100016987518 [0,0,0,0,0,0|3,0,0]=3 4 B14R1.623 C=C(C)c1cnccc1C(=O)OCC 271570a_100000694244_100010238393 [0,0,0,0,0,0|3,0,0]=3 5 B14R1.623 C=C(C)c1cncnc1C(=O)OCC 271570a_100000694244_100012344254 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.623 C=C(C)c1ncccc1C(=O)NCC 271570a_100000694244_100000160120 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.623 C=C(C)c1ncccc1C(=O)OCC 271570a_100000694244_100000170124 [0,0,0,0,0,0|3,0,0]=3 8 B14R1.623 C=C(C)c1ncncc1C(=O)OCC 271570a_100000694244_100011998183 [0,0,0,0,0,0|4,0,0]=4 9 B14R1.623 CCCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210303 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.623 CCCC(=O)c1ccccc1C(F)F 1458a_100009872251_100000210303 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.623 CCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210303 [0,0,0,0,0,0|2,0,1]=3 12 B14R1.623 CCCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210303 [0,0,0,0,0,0|4,0,0]=4 13 B14R1.623 CCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210303 [0,0,0,0,0,0|3,0,0]=3 14 B14R1.623 CCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210303 [0,0,0,0,0,0|2,0,1]=3 15 B14R1.623 CCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000210303 [0,0,0,0,0,0|4,0,0]=4 16 B14R1.623 CCNC(=O)c1ccccc1C(C)C 11a_100015525214_100011941426 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.623 CCNC(=O)c1ccccc1C(C)C 240690a_100015525214_100011941426 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.623 CCNC(=O)c1ccccc1C(C)C 527a_100015525214_100011941426 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.623 CCNC(=O)c1ccccc1C(F)F 11a_100015525214_100009872251 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.623 CCNC(=O)c1ccccc1C(F)F 240690a_100015525214_100009872251 [0,0,0,0,0,0|3,0,1]=4 21 B14R1.623 CCNC(=O)c1ccccc1C(F)F 527a_100015525214_100009872251 [0,0,0,0,0,0|3,0,1]=4 22 B14R1.623 CCNC(=O)c1ccccc1I(=O)=O 240690a_100015525214_100000061294 [0,0,0,0,0,0|2,0,1]=3 23 B14R1.623 CCNC(=O)c1ccccc1N(C)C 11a_100015525214_100011218752 [0,0,0,0,0,0|4,0,0]=4 24 B14R1.623 CCNC(=O)c1ccccc1N(C)C 240690a_100015525214_100011218752 [0,0,0,0,0,0|4,0,0]=4 25 B14R1.623 CCNC(=O)c1ccccc1N(C)C 27a_100102631434_200000155173 [0,0,0,0,0,0|4,0,0]=4 26 B14R1.623 CCNC(=O)c1ccccc1N(C)C 527a_100015525214_100011218752 [0,0,0,0,0,0|4,0,0]=4 27 B14R1.623 CCNC(=O)c1ccccc1S(=O)C 240690a_100015525214_100000204632 [0,0,0,0,0,0|3,0,0]=3 28 B14R1.623 CCNC(=O)c1ccccc1[N+](=O)[O-] 11a_100015525214_100000188706 [0,0,0,0,0,0|2,0,1]=3 29 B14R1.623 CCNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100015525214_100000188706 [0,0,0,0,0,0|2,0,1]=3 30 B14R1.623 CCNC(=O)c1ccccc1[N+](=O)[O-] 527a_100015525214_100000188706 [0,0,0,0,0,0|2,0,1]=3 31 B14R1.623 CCOC(=O)c1ccccc1N(C)C 2230a_100160572725_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B14R1.623 CCOC(=O)c1ccccc1N(C)C 269982a_100160572725_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B14R1.623 CCOC(=O)c1ccccc1N(C)[13CH3] 2230a_100160572725_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B14R1.623 CCOC(=O)c1ccccc1N(C)[13CH3] 269982a_100160572725_200025704644 [0,0,0,0,0,0|3,0,0]=3 35 B14R1.623 CCOC(=O)c1cccnc1N(C)C 27a_100102631434_100000170124 [0,0,0,0,0,0|4,0,0]=4 36 B14R1.623 CCOC(=O)c1cnccc1N(C)C 27a_100102631434_100016987518 [0,0,0,0,0,0|4,0,0]=4 37 B14R1.623 CCOC(C)c1ccccc1[N+](=O)[O-] 7a_100000246502_100000210202 [0,0,0,0,0,0|2,0,2]=4 38 B14R1.623 CNCC(=O)c1ccccc1[N+](=O)[O-] 2230a_106832991635_100011219728 [0,0,0,0,0,0|3,0,1]=4 39 B14R1.623 CNCC(=O)c1ccccc1[N+](=O)[O-] 7a_106832991635_100011219728 [0,0,0,0,0,0|3,0,1]=4 40 B14R1.623 CNNC(=O)c1ccccc1I(=O)=O 22a_100016993582_100000061294 [0,0,0,0,0,0|3,0,1]=4 41 B14R1.623 CNNC(=O)c1ccccc1S(=O)C 22a_100016993582_100000204632 [0,0,0,0,0,0|4,0,0]=4 42 B14R1.623 CNNC(=O)c1ccccc1[N+](=O)[O-] 22a_100016993582_100000188706 [0,0,0,0,0,0|3,0,1]=4 43 B14R1.623 CS(=O)c1ccccc1C(=O)CCF 1458a_100000204632_100011217306 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.623 CS(=O)c1ccccc1C(=O)CCO 1458a_100000204632_100000211926 [0,0,0,0,0,0|4,0,0]=4 45 B14R1.623 CSCC(=O)c1ccccc1[N+](=O)[O-] 62a_100011219728_200000210301 [0,0,0,0,0,0|3,0,1]=4 46 B14R1.623 O=C(CCF)c1ccccc1I(=O)=O 1458a_100000061294_100011217306 [0,0,0,0,0,0|3,0,1]=4 47 B14R1.623 O=C(CCF)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100011217306 [0,0,0,0,0,0|3,0,1]=4 48 B14R1.623 O=C(CCO)c1ccccc1I(=O)=O 1458a_100000061294_100000211926 [0,0,0,0,0,0|3,0,1]=4 49 B14R1.623 O=C(CCO)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000211926 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.623 [13CH3]SCC(=O)c1ccccc1[N+](=O)[O-] 62a_100011219728_200025704644 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.464 C#Cc1ccccc1C(=O)CCC 1458a_100011243808_100000210303 [1,0,0,0,0,0|2,0,1]=4 52 B13R1.464 C#Cc1ccccc1C(=O)NCC 527a_100015525214_100011243808 [1,0,0,0,0,0|2,0,1]=4 53 B13R1.464 C=Cc1ccccc1C(=O)CCC 1458a_100011830265_100000210303 [1,0,0,0,0,0|2,0,0]=3 54 B13R1.464 C=Cc1ccccc1C(=O)CCF 1458a_100011830265_100011217306 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.464 C=Cc1ccccc1C(=O)CCO 1458a_100011830265_100000211926 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.464 C=Cc1ccccc1C(=O)NCC 271570a_100011290941_200000155173 [1,0,0,0,0,0|2,0,0]=3 57 B13R1.464 C=Cc1ccccc1C(=O)NNC 22a_100016993582_100011830265 [1,0,0,0,0,0|3,0,0]=4 58 B13R1.464 C=Cc1ccccc1C(=O)OCC 271570a_100011290941_100000169879 [1,0,0,0,0,0|1,0,0]=2 59 B13R1.464 C=Cc1cccnc1C(=O)OCC 271570a_100011290941_100012351660 [1,0,0,0,0,0|2,0,0]=3 60 B13R1.464 C=Cc1ccncc1C(=O)OCC 271570a_100011290941_100016987518 [1,0,0,0,0,0|2,0,0]=3 61 B13R1.464 C=Cc1cnccc1C(=O)OCC 271570a_100011290941_100010238393 [1,0,0,0,0,0|2,0,0]=3 62 B13R1.464 C=Cc1cncnc1C(=O)OCC 271570a_100011290941_100012344254 [1,0,0,0,0,0|3,0,0]=4 63 B13R1.464 C=Cc1ncccc1C(=O)NCC 271570a_100011290941_100000160120 [1,0,0,0,0,0|3,0,0]=4 64 B13R1.464 C=Cc1ncccc1C(=O)OCC 271570a_100011290941_100000170124 [1,0,0,0,0,0|2,0,0]=3 65 B13R1.464 C=Cc1ncncc1C(=O)OCC 271570a_100011290941_100011998183 [1,0,0,0,0,0|3,0,0]=4 66 B13R1.464 CCCC(=O)c1ccccc1C#N 1458a_100000742908_100000210303 [1,0,0,0,0,0|2,0,1]=4 67 B13R1.464 CCCC(=O)c1ccccc1CC 1458a_100000689120_100000210303 [1,0,0,0,0,0|2,0,1]=4 68 B13R1.464 CCCC(=O)c1ccccc1CO 1458a_100011301526_100000210303 [1,0,0,0,0,0|1,0,1]=3 69 B13R1.464 CCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210303 [1,0,0,0,0,0|2,0,0]=3 70 B13R1.464 CCCC(=O)c1ccccc1OC 1458a_100000185835_100000210303 [1,0,0,0,0,0|3,0,0]=4 71 B13R1.464 CCCC(=O)c1ccccc1OC 34a_200000073644_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B13R1.464 CCCC(=O)c1ccccc1OC 7a_200000073644_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 34a_200000073644_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 7a_200000073644_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B13R1.464 CCCC(=O)c1ccccc1SC 1458a_100000183967_100000210303 [1,0,0,0,0,0|3,0,0]=4 76 B13R1.464 CCNC(=O)c1ccccc1C#N 11a_100015525214_100000742908 [1,0,0,0,0,0|2,0,1]=4 77 B13R1.464 CCNC(=O)c1ccccc1C#N 527a_100015525214_100000742908 [1,0,0,0,0,0|2,0,1]=4 78 B13R1.464 CCNC(=O)c1ccccc1CC 11a_100015525214_100000689120 [1,0,0,0,0,0|2,0,1]=4 79 B13R1.464 CCNC(=O)c1ccccc1CC 240690a_100015525214_100000689120 [1,0,0,0,0,0|2,0,1]=4 80 B13R1.464 CCNC(=O)c1ccccc1CC 527a_100015525214_100000689120 [1,0,0,0,0,0|2,0,1]=4 81 B13R1.464 CCNC(=O)c1ccccc1I=O 240690a_100015525214_100000032414 [1,0,0,0,0,0|2,0,0]=3 82 B13R1.464 CCNC(=O)c1ccccc1I=O 527a_100015525214_100000032414 [1,0,0,0,0,0|2,0,0]=3 83 B13R1.464 CCNC(=O)c1ccccc1NC 27a_100102657272_200000155173 [1,0,0,0,0,0|3,0,0]=4 84 B13R1.464 CCNC(=O)c1ccccc1NC 34a_100000205978_200000210301 [1,0,0,0,0,0|3,0,0]=4 85 B13R1.464 CCNC(=O)c1ccccc1N[13CH3] 34a_100000205978_200025704644 [1,0,0,0,0,0|3,0,0]=4 86 B13R1.464 CCNC(=O)c1ccccc1OC 11a_100015525214_100000185835 [1,0,0,0,0,0|3,0,0]=4 87 B13R1.464 CCNC(=O)c1ccccc1OC 240690a_100015525214_100000185835 [1,0,0,0,0,0|3,0,0]=4 88 B13R1.464 CCNC(=O)c1ccccc1OC 34a_100000192205_200000210301 [1,0,0,0,0,0|3,0,0]=4 89 B13R1.464 CCNC(=O)c1ccccc1OC 527a_100015525214_100000185835 [1,0,0,0,0,0|3,0,0]=4 90 B13R1.464 CCNC(=O)c1ccccc1OC 7a_100000192205_200000210301 [1,0,0,0,0,0|3,0,0]=4 91 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 34a_100000192205_200025704644 [1,0,0,0,0,0|3,0,0]=4 92 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 7a_100000192205_200025704644 [1,0,0,0,0,0|3,0,0]=4 93 B13R1.464 CCNC(=O)c1ccccc1SC 11a_100015525214_100000183967 [1,0,0,0,0,0|3,0,0]=4 94 B13R1.464 CCNC(=O)c1ccccc1SC 240690a_100015525214_100000183967 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.464 CCNC(=O)c1ccccc1SC 527a_100015525214_100000183967 [1,0,0,0,0,0|3,0,0]=4 96 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000155173_200000210301 [1,0,0,0,0,0|3,0,0]=4 97 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000210301_200000155173 [1,0,0,0,0,0|3,0,0]=4 98 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200000155173_200025704644 [1,0,0,0,0,0|3,0,0]=4 99 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000155173 [1,0,0,0,0,0|3,0,0]=4 100 B13R1.464 CCOC(=O)c1ccccc1OC 7a_100000169922_200000210301 [1,0,0,0,0,0|2,0,0]=3 101 B13R1.464 CCOC(=O)c1ccccc1O[13CH3] 7a_100000169922_200025704644 [1,0,0,0,0,0|2,0,0]=3 102 B13R1.464 CCOC(=O)c1ccccc1SC 62a_100000169876_200000210301 [1,0,0,0,0,0|2,0,0]=3 103 B13R1.464 CCOC(=O)c1ccccc1SC 62a_200000210301_100000169879 [1,0,0,0,0,0|2,0,0]=3 104 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_100000169876_200025704644 [1,0,0,0,0,0|2,0,0]=3 105 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000169879 [1,0,0,0,0,0|2,0,0]=3 106 B13R1.464 CCOC(=O)c1cccnc1NC 27a_100102657272_100000170124 [1,0,0,0,0,0|3,0,0]=4 107 B13R1.464 CCOC(=O)c1cccnc1SC 62a_100011291640_200000210301 [1,0,0,0,0,0|3,0,0]=4 108 B13R1.464 CCOC(=O)c1cccnc1SC 62a_200000210301_100000170124 [1,0,0,0,0,0|3,0,0]=4 109 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_100011291640_200025704644 [1,0,0,0,0,0|3,0,0]=4 110 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000170124 [1,0,0,0,0,0|3,0,0]=4 111 B13R1.464 CCOC(=O)c1ccncc1SC 62a_100010238393_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B13R1.464 CCOC(=O)c1ccncc1SC 62a_200000210301_100010238393 [1,0,0,0,0,0|3,0,0]=4 113 B13R1.464 CCOC(=O)c1ccncc1S[13CH3] 62a_100010238393_200025704644 [1,0,0,0,0,0|3,0,0]=4 114 B13R1.464 CCOC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010238393 [1,0,0,0,0,0|3,0,0]=4 115 B13R1.464 CCOC(=O)c1cnccc1NC 27a_100102657272_100016987518 [1,0,0,0,0,0|3,0,0]=4 116 B13R1.464 CCOC(=O)c1cnccc1SC 62a_200000210301_100016987518 [1,0,0,0,0,0|3,0,0]=4 117 B13R1.464 CCOC(=O)c1cnccc1S[13CH3] 62a_200025704644_100016987518 [1,0,0,0,0,0|3,0,0]=4 118 B13R1.464 CCOC(=O)c1ncccc1OC 7a_200011376064_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B13R1.464 CCOC(=O)c1ncccc1O[13CH3] 7a_200011376064_200025704644 [1,0,0,0,0,0|3,0,0]=4 120 B13R1.464 CCOC(=O)c1ncccc1SC 62a_100012351660_200000210301 [1,0,0,0,0,0|3,0,0]=4 121 B13R1.464 CCOC(=O)c1ncccc1SC 62a_200000210301_100012351660 [1,0,0,0,0,0|3,0,0]=4 122 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_100012351660_200025704644 [1,0,0,0,0,0|3,0,0]=4 123 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012351660 [1,0,0,0,0,0|3,0,0]=4 124 B13R1.464 CNNC(=O)c1ccccc1I=O 22a_100016993582_100000032414 [1,0,0,0,0,0|3,0,0]=4 125 B13R1.464 O=C(CCF)c1ccccc1CO 1458a_100011301526_100011217306 [1,0,0,0,0,0|2,0,1]=4 126 B13R1.464 O=C(CCO)c1ccccc1CO 1458a_100011301526_100000211926 [1,0,0,0,0,0|2,0,1]=4 127 B13R1.464 O=Ic1ccccc1C(=O)CCF 1458a_100000032414_100011217306 [1,0,0,0,0,0|3,0,0]=4 128 B13R1.464 O=Ic1ccccc1C(=O)CCO 1458a_100000032414_100000211926 [1,0,0,0,0,0|3,0,0]=4 129 B13R1.547 C=C(C)c1ccccc1C(=O)NC 271570a_100000694244_100000155073 [1,0,0,0,0,0|3,0,0]=4 130 B13R1.547 C=C(C)c1ccccc1C(=O)OC 271570a_100000694244_100000148710 [1,0,0,0,0,0|2,0,0]=3 131 B13R1.547 C=C(C)c1cccnc1C(=O)OC 271570a_100000694244_100011935214 [1,0,0,0,0,0|3,0,0]=4 132 B13R1.547 C=C(C)c1ccncc1C(=O)OC 271570a_100000694244_100020629055 [1,0,0,0,0,0|3,0,0]=4 133 B13R1.547 C=C(C)c1cnccc1C(=O)OC 271570a_100000694244_100010008606 [1,0,0,0,0,0|3,0,0]=4 134 B13R1.547 C=C(C)c1ncccc1C(=O)OC 271570a_100000694244_100000150852 [1,0,0,0,0,0|3,0,0]=4 135 B13R1.547 CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210202 [1,0,0,0,0,0|2,0,1]=4 136 B13R1.547 CCC(=O)c1ccccc1C(F)F 1458a_100009872251_100000210202 [1,0,0,0,0,0|2,0,1]=4 137 B13R1.547 CCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210202 [1,0,0,0,0,0|1,0,1]=3 138 B13R1.547 CCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210202 [1,0,0,0,0,0|3,0,0]=4 139 B13R1.547 CCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210202 [1,0,0,0,0,0|2,0,0]=3 140 B13R1.547 CCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210202 [1,0,0,0,0,0|1,0,1]=3 141 B13R1.547 CCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000204670 [1,0,0,0,0,0|3,0,0]=4 142 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 1626a_100102657272_100000061294 [1,0,0,0,0,0|2,0,1]=4 143 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 240690a_100102657272_100000061294 [1,0,0,0,0,0|2,0,1]=4 144 B13R1.547 CNC(=O)c1ccccc1S(=O)C 1626a_100102657272_100000204632 [1,0,0,0,0,0|3,0,0]=4 145 B13R1.547 CNC(=O)c1ccccc1S(=O)C 240690a_100102657272_100000204632 [1,0,0,0,0,0|3,0,0]=4 146 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 11a_106832991635_100000188706 [1,0,0,0,0,0|2,0,1]=4 147 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 1626a_100102657272_100000188706 [1,0,0,0,0,0|2,0,1]=4 148 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100102657272_100000188706 [1,0,0,0,0,0|2,0,1]=4 149 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 527a_100102657272_100000188706 [1,0,0,0,0,0|2,0,1]=4 150 B13R1.547 COC(=O)c1ccccc1C(=O)C 1458a_100011215673_200000210301 [1,0,0,0,0,0|1,0,0]=2 151 B13R1.547 COC(=O)c1ccccc1C(=O)[13CH3] 1458a_100011215673_200025704644 [1,0,0,0,0,0|1,0,0]=2 152 B13R1.547 COC(=O)c1ccccc1N(C)C 269982a_100000170468_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B13R1.547 COC(=O)c1ccccc1N(C)C 34a_100000170468_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 269982a_100000170468_200025704644 [1,0,0,0,0,0|3,0,0]=4 155 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 34a_100000170468_200025704644 [1,0,0,0,0,0|3,0,0]=4 156 B13R1.547 CS(=O)c1ccccc1C(=O)CF 1458a_100000204632_100015361967 [1,0,0,0,0,0|3,0,0]=4 157 B13R1.547 O=C(CF)c1ccccc1I(=O)=O 1458a_100000061294_100015361967 [1,0,0,0,0,0|2,0,1]=4 158 B13R1.547 O=C(CF)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100015361967 [1,0,0,0,0,0|2,0,1]=4 159 B13R1.572 C=C(C)c1ccccc1COCC 271570a_100000694244_200011493690 [1,0,0,0,0,0|2,0,1]=4 160 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [1,0,0,0,0,0|2,0,1]=4 161 B13R1.572 CCCCc1ccccc1C(=O)N 271570a_100020621405_100000162227 [1,0,0,0,0,0|2,0,1]=4 162 B13R1.572 CCCNc1ccccc1C(=O)N 34a_100000185089_100000210303 [1,0,0,0,0,0|3,0,0]=4 163 B13R1.572 CCCOc1ccccc1C(=O)C 1458a_100000215688_200000210301 [1,0,0,0,0,0|3,0,0]=4 164 B13R1.572 CCCOc1ccccc1C(=O)N 34a_100000192804_100000210303 [1,0,0,0,0,0|3,0,0]=4 165 B13R1.572 CCCOc1ccccc1C(=O)N 7a_100000192804_100000210303 [1,0,0,0,0,0|3,0,0]=4 166 B13R1.572 CCCOc1ccccc1C(=O)[13CH3] 1458a_100000215688_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B13R1.572 CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210303 [1,0,0,0,0,0|2,0,1]=4 168 B13R1.572 CCCSc1ccccc1C(=O)C 1458a_100000217225_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B13R1.572 CCCSc1ccccc1C(=O)C 62a_100000751169_100000210303 [1,0,0,0,0,0|3,0,0]=4 170 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000162227_100000210303 [1,0,0,0,0,0|3,0,0]=4 171 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000210303_100000162227 [1,0,0,0,0,0|3,0,0]=4 172 B13R1.572 CCCSc1ccccc1C(=O)O 62a_100000210303_100000734275 [1,0,0,0,0,0|2,0,0]=3 173 B13R1.572 CCCSc1ccccc1C(=O)O 62a_202125556159_100000210303 [1,0,0,0,0,0|2,0,0]=3 174 B13R1.572 CCCSc1ccccc1C(=O)[13CH3] 1458a_100000217225_200025704644 [1,0,0,0,0,0|3,0,0]=4 175 B13R1.572 CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210202 [1,0,0,0,0,0|1,0,1]=3 176 B13R1.572 CCOCc1ccccc1B(O)O 34a_100121572206_100009814197 [1,0,0,0,0,0|1,0,2]=4 177 B13R1.572 CCOCc1ccccc1[N+](=O)[O-] 34a_100121572206_100000181388 [1,0,0,0,0,0|1,0,2]=4 178 B13R1.572 CCOCc1ccccc1[N+](=O)[O-] 7a_100011218404_100000210202 [1,0,0,0,0,0|1,0,2]=4 179 B13R1.572 CC[Hg]Sc1ccccc1C(=O)C 1458a_100000046266_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B13R1.572 CC[Hg]Sc1ccccc1C(=O)[13CH3] 1458a_100000046266_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B13R1.572 COCSc1ccccc1C(=O)O 62a_100000766300_100000734275 [1,0,0,0,0,0|3,0,0]=4 182 B13R1.572 COCSc1ccccc1C(=O)O 62a_202125556159_100000766300 [1,0,0,0,0,0|3,0,0]=4 183 B13R1.572 CSCSc1ccccc1C(=O)O 62a_100011218213_100000734275 [1,0,0,0,0,0|3,0,0]=4 184 B13R1.572 CSCSc1ccccc1C(=O)O 62a_202125556159_100011218213 [1,0,0,0,0,0|3,0,0]=4 185 B13R1.572 O=C(O)c1ccccc1CNCF 269956a_100015183376_100015361967 [1,0,0,0,0,0|2,0,1]=4 186 B13R1.572 O=C(O)c1ccccc1SCCF 62a_100011217306_100000734275 [1,0,0,0,0,0|3,0,0]=4 187 B13R1.572 O=C(O)c1ccccc1SCCF 62a_202125556159_100011217306 [1,0,0,0,0,0|3,0,0]=4 188 B13R1.572 O=C(O)c1ccccc1SCCO 62a_100000211926_100000734275 [1,0,0,0,0,0|3,0,0]=4 189 B13R1.572 O=C(O)c1ccccc1SCCO 62a_202125556159_100000211926 [1,0,0,0,0,0|3,0,0]=4 190 B15R1.765 C=C(C)c1ccc(cc1C(=O)OCC)Br 271570a_100000694244_100000171027 [0,1,0,0,0,0|2,0,0]=3 191 B15R1.765 C=C(C)c1ccc(cc1C(=O)OCC)C 271570a_100000694244_200012353901 [0,1,0,0,0,0|2,0,0]=3 192 B15R1.765 C=C(C)c1ccc(cc1C(=O)OCC)Cl 271570a_100000694244_100011294803 [0,1,0,0,0,0|2,0,0]=3 193 B15R1.765 C=C(C)c1ccc(cc1C(=O)OCC)F 271570a_100000694244_100011206316 [0,1,0,0,0,0|2,0,0]=3 194 B15R1.765 C=C(C)c1ccc(nc1C(=O)OCC)N 271570a_100000694244_100010172133 [0,1,0,0,0,0|3,0,0]=4 195 B15R1.765 C=C(C)c1ccc(nc1C(=O)OCC)O 271570a_100000694244_200010189762 [0,1,0,0,0,0|3,0,0]=4 196 B15R1.765 C=C(C)c1ncc(cc1C(=O)OCC)C 271570a_100000694244_100009868943 [0,1,0,0,0,0|3,0,0]=4 197 B15R1.765 C=C(C)c1ncc(cc1C(=O)OCC)F 271570a_100000694244_100012350521 [0,1,0,0,0,0|3,0,0]=4 198 B15R1.765 C=C(C)c1ncc(cc1C(=O)OCC)N 271570a_100000694244_200012352213 [0,1,0,0,0,0|3,0,0]=4 199 B15R1.765 CCCC(=O)c1cc(ccc1[N+](=O)[O-])Br 1458a_100009992657_100000210303 [0,1,0,0,0,0|2,0,1]=4 200 B15R1.765 CCCC(=O)c1cc(ccc1[N+](=O)[O-])C 1458a_100000763269_100000210303 [0,1,0,0,0,0|2,0,1]=4 201 B15R1.765 CCCC(=O)c1cc(ccc1[N+](=O)[O-])Cl 1458a_100000210914_100000210303 [0,1,0,0,0,0|2,0,1]=4 202 B15R1.765 CCCC(=O)c1cc(ccc1[N+](=O)[O-])I 1458a_100010186413_100000210303 [0,1,0,0,0,0|2,0,1]=4 203 B15R1.765 CCCC(=O)c1cc(ccc1[N+](=O)[O-])O 1458a_100000692585_100000210303 [0,1,0,0,0,0|2,0,1]=4 204 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])Br 240690a_100015525214_100009992657 [0,1,0,0,0,0|2,0,1]=4 205 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])C 11a_100015525214_100000763269 [0,1,0,0,0,0|2,0,1]=4 206 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])C 240690a_100015525214_100000763269 [0,1,0,0,0,0|2,0,1]=4 207 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])C 527a_100015525214_100000763269 [0,1,0,0,0,0|2,0,1]=4 208 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])Cl 11a_100015525214_100000210914 [0,1,0,0,0,0|2,0,1]=4 209 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])Cl 240690a_100015525214_100000210914 [0,1,0,0,0,0|2,0,1]=4 210 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])Cl 527a_100015525214_100000210914 [0,1,0,0,0,0|2,0,1]=4 211 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])F 240690a_100015525214_100000742722 [0,1,0,0,0,0|2,0,1]=4 212 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])I 11a_100015525214_100010186413 [0,1,0,0,0,0|2,0,1]=4 213 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])I 240690a_100015525214_100010186413 [0,1,0,0,0,0|2,0,1]=4 214 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])O 240690a_100015525214_100000692585 [0,1,0,0,0,0|2,0,1]=4 215 B15R1.765 CCNC(=O)c1cc(ccc1[N+](=O)[O-])O 527a_100015525214_100000692585 [0,1,0,0,0,0|2,0,1]=4 216 B15R1.811 CCCC(=O)c1ccccc1S(=O)(=O)C 1458a_100000185186_100000210303 [0,1,0,0,0,0|2,0,1]=4 217 B15R1.811 CCCC(=O)c1ccccc1S(=O)(=O)N 1458a_100015187736_100000210303 [0,1,0,0,0,0|2,0,1]=4 218 B15R1.811 CCNC(=O)c1ccccc1S(=O)(=O)C 11a_100015525214_100000185186 [0,1,0,0,0,0|2,0,1]=4 219 B15R1.811 CCNC(=O)c1ccccc1S(=O)(=O)C 240690a_100015525214_100000185186 [0,1,0,0,0,0|2,0,1]=4 220 B15R1.811 CCNC(=O)c1ccccc1S(=O)(=O)N 240690a_100015525214_100015187736 [0,1,0,0,0,0|2,0,1]=4 221 B15R1.812 C#CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000184674 [0,1,0,0,0,0|1,0,2]=4 222 B15R1.812 C=CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210623 [0,1,0,0,0,0|1,0,2]=4 223 B15R1.812 CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210303 [0,1,0,0,0,0|1,0,0]=2 224 B15R1.812 CCCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000210303 [0,1,0,0,0,0|3,0,0]=4 225 B15R1.812 CCCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000210303 [0,1,0,0,0,0|3,0,0]=4 226 B15R1.812 CCNC(=O)c1ccccc1C(=O)OC 240690a_100015525214_100011215673 [0,1,0,0,0,0|1,0,0]=2 227 B15R1.812 CCOC(=O)c1ccccc1N(C)CC 2230a_100160572725_100000210202 [0,1,0,0,0,0|3,0,0]=4 228 B15R1.812 CCOC(=O)c1ccccc1N(C)CC 269982a_100160572725_100000204670 [0,1,0,0,0,0|3,0,0]=4 229 B15R1.812 CCOC(=O)c1ccccc1N(C)CF 269982a_100160572725_100015361967 [0,1,0,0,0,0|3,0,0]=4 230 B15R1.812 CNNC(=O)c1ccccc1C(=O)OC 22a_100016993582_100011215673 [0,1,0,0,0,0|2,0,0]=3 231 B15R1.812 COC(=O)c1ccccc1C(=O)CC#N 1458a_100011215673_100011214920 [0,1,0,0,0,0|2,0,1]=4 232 B15R1.812 COC(=O)c1ccccc1C(=O)CCF 1458a_100011215673_100011217306 [0,1,0,0,0,0|2,0,0]=3 233 B15R1.812 COC(=O)c1ccccc1C(=O)CCO 1458a_100011215673_100000211926 [0,1,0,0,0,0|2,0,0]=3 234 B15R1.1239 C=C(C)c1ccccc1C(=O)NCCC 271570a_100000694244_200000152266 [0,1,0,0,0,0|3,0,0]=4 235 B15R1.1239 C=C(C)c1ccccc1C(=O)NCCO 271570a_100000694244_200000158863 [0,1,0,0,0,0|3,0,0]=4 236 B15R1.1239 CCCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210211 [0,1,0,0,0,0|2,0,1]=4 237 B15R1.1239 CCCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210211 [0,1,0,0,0,0|3,0,0]=4 238 B15R1.1239 CCCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210211 [0,1,0,0,0,0|2,0,1]=4 239 B15R1.1239 CCCCN(C)c1ccccc1C(=O)O 269956a_100000183030_200000210301 [0,1,0,0,0,0|3,0,0]=4 240 B15R1.1239 CCCCN([13CH3])c1ccccc1C(=O)O 269956a_100000183030_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B15R1.1239 CCCNC(=O)c1ccccc1I(=O)=O 1626a_100020643023_100000061294 [0,1,0,0,0,0|2,0,1]=4 242 B15R1.1239 CCCNC(=O)c1ccccc1I(=O)=O 240690a_100020643023_100000061294 [0,1,0,0,0,0|2,0,1]=4 243 B15R1.1239 CCCNC(=O)c1ccccc1S(=O)C 1626a_100020643023_100000204632 [0,1,0,0,0,0|3,0,0]=4 244 B15R1.1239 CCCNC(=O)c1ccccc1S(=O)C 240690a_100020643023_100000204632 [0,1,0,0,0,0|3,0,0]=4 245 B15R1.1239 CCCNC(=O)c1ccccc1[N+](=O)[O-] 11a_100020643023_100000188706 [0,1,0,0,0,0|2,0,1]=4 246 B15R1.1239 CCCNC(=O)c1ccccc1[N+](=O)[O-] 1626a_100020643023_100000188706 [0,1,0,0,0,0|2,0,1]=4 247 B15R1.1239 CCCNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100020643023_100000188706 [0,1,0,0,0,0|2,0,1]=4 248 B15R1.1239 CCCNC(=O)c1ccccc1[N+](=O)[O-] 527a_100020643023_100000188706 [0,1,0,0,0,0|2,0,1]=4 249 B15R1.1239 CCNCC(=O)c1ccccc1[N+](=O)[O-] 2230a_100015525214_100011219728 [0,1,0,0,0,0|2,0,1]=4 250 B15R1.1239 CCNNC(=O)c1ccccc1I(=O)=O 22a_100000756455_100000061294 [0,1,0,0,0,0|2,0,1]=4 251 B15R1.1239 CCNNC(=O)c1ccccc1S(=O)C 22a_100000756455_100000204632 [0,1,0,0,0,0|3,0,0]=4 252 B15R1.1239 CCNNC(=O)c1ccccc1[N+](=O)[O-] 22a_100000756455_100000188706 [0,1,0,0,0,0|2,0,1]=4 253 B15R1.1239 CCOCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000739092 [0,1,0,0,0,0|3,0,0]=4 254 B15R1.1239 CCSCC(=O)c1ccccc1[N+](=O)[O-] 62a_100011219728_100000210202 [0,1,0,0,0,0|1,1,1]=4 255 B15R1.1239 COCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000233755 [0,1,0,0,0,0|2,0,1]=4 256 B15R1.1239 COCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000233755 [0,1,0,0,0,0|3,0,0]=4 257 B15R1.1239 COCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000233755 [0,1,0,0,0,0|2,0,1]=4 258 B15R1.1239 CS(=O)c1ccccc1C(=O)CCCF 1458a_100000204632_100011934791 [0,1,0,0,0,0|3,0,0]=4 259 B15R1.1239 CS(=O)c1ccccc1C(=O)CCCO 1458a_100000204632_100011215043 [0,1,0,0,0,0|3,0,0]=4 260 B15R1.1239 CS(=O)c1ccccc1C(=O)NCCF 1626a_100000724931_100000204632 [0,1,0,0,0,0|3,0,0]=4 261 B15R1.1239 CS(=O)c1ccccc1C(=O)NCCF 240690a_100000724931_100000204632 [0,1,0,0,0,0|3,0,0]=4 262 B15R1.1239 CS(=O)c1ccccc1C(=O)NCCO 240690a_100000210304_100000204632 [0,1,0,0,0,0|3,0,0]=4 263 B15R1.1239 CSCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000751147 [0,1,0,0,0,0|2,0,1]=4 264 B15R1.1239 CSCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000751147 [0,1,0,0,0,0|3,0,0]=4 265 B15R1.1239 CSCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000751147 [0,1,0,0,0,0|2,0,1]=4 266 B15R1.1239 O=C(CCCF)c1ccccc1I(=O)=O 1458a_100000061294_100011934791 [0,1,0,0,0,0|2,0,1]=4 267 B15R1.1239 O=C(CCCF)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100011934791 [0,1,0,0,0,0|2,0,1]=4 268 B15R1.1239 O=C(CCCO)c1ccccc1I(=O)=O 1458a_100000061294_100011215043 [0,1,0,0,0,0|2,0,1]=4 269 B15R1.1239 O=C(CCCO)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100011215043 [0,1,0,0,0,0|2,0,1]=4 270 B15R1.1239 O=C(NCCF)c1ccccc1I(=O)=O 1626a_100000724931_100000061294 [0,1,0,0,0,0|2,0,1]=4 271 B15R1.1239 O=C(NCCF)c1ccccc1I(=O)=O 240690a_100000724931_100000061294 [0,1,0,0,0,0|2,0,1]=4 272 B15R1.1239 O=C(NCCF)c1ccccc1[N+](=O)[O-] 11a_100000724931_100000188706 [0,1,0,0,0,0|2,0,1]=4 273 B15R1.1239 O=C(NCCF)c1ccccc1[N+](=O)[O-] 1626a_100000724931_100000188706 [0,1,0,0,0,0|2,0,1]=4 274 B15R1.1239 O=C(NCCF)c1ccccc1[N+](=O)[O-] 240690a_100000724931_100000188706 [0,1,0,0,0,0|2,0,1]=4 275 B15R1.1239 O=C(NCCF)c1ccccc1[N+](=O)[O-] 527a_100000724931_100000188706 [0,1,0,0,0,0|2,0,1]=4 276 B15R1.1239 O=C(NCCO)c1ccccc1I(=O)=O 240690a_100000210304_100000061294 [0,1,0,0,0,0|2,0,1]=4 277 B15R1.1239 O=C(NCCO)c1ccccc1[N+](=O)[O-] 240690a_100000210304_100000188706 [0,1,0,0,0,0|2,0,1]=4 278 B15R1.1239 O=C(NCCO)c1ccccc1[N+](=O)[O-] 527a_100000210304_100000188706 [0,1,0,0,0,0|2,0,1]=4 279 B15R1.1343 CCC(C)C(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000758301 [0,1,0,0,0,0|2,0,1]=4 280 B15R1.1343 CCC(C)C(=O)c1ccccc1S(=O)C 1458a_100000204632_100000758301 [0,1,0,0,0,0|3,0,0]=4 281 B15R1.1343 CCC(C)C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000758301 [0,1,0,0,0,0|2,0,1]=4 282 B15R1.1343 CCN(C)C(=O)c1ccccc1I(=O)=O 1626a_100000225621_100000061294 [0,1,0,0,0,0|2,0,1]=4 283 B15R1.1343 CCN(C)C(=O)c1ccccc1I(=O)=O 240690a_100000225621_100000061294 [0,1,0,0,0,0|2,0,1]=4 284 B15R1.1343 CCN(C)C(=O)c1ccccc1S(=O)C 1626a_100000225621_100000204632 [0,1,0,0,0,0|3,0,0]=4 285 B15R1.1343 CCN(C)C(=O)c1ccccc1S(=O)C 240690a_100000225621_100000204632 [0,1,0,0,0,0|3,0,0]=4 286 B15R1.1343 CCN(C)C(=O)c1ccccc1[N+](=O)[O-] 11a_100000225621_100000188706 [0,1,0,0,0,0|2,0,1]=4 287 B15R1.1343 CCN(C)C(=O)c1ccccc1[N+](=O)[O-] 1626a_100000225621_100000188706 [0,1,0,0,0,0|2,0,1]=4 288 B15R1.1343 CCN(C)C(=O)c1ccccc1[N+](=O)[O-] 240690a_100000225621_100000188706 [0,1,0,0,0,0|2,0,1]=4 289 B15R1.1343 CCN(C)C(=O)c1ccccc1[N+](=O)[O-] 527a_100000225621_100000188706 [0,1,0,0,0,0|2,0,1]=4 290 B15R1.3598 CCCS(=O)(=O)c1ccccc1C(=O)C 1458a_100000739180_200000210301 [0,1,0,0,0,0|3,0,0]=4 291 B15R1.3598 CCCS(=O)(=O)c1ccccc1C(=O)[13CH3] 1458a_100000739180_200025704644 [0,1,0,0,0,0|3,0,0]=4 292 B15R1.5509 C=C(C)c1ccccc1C(=O)NC(C)C 271570a_100000694244_200000152627 [0,1,0,0,0,0|3,0,0]=4 293 B15R1.5509 C=C(C)c1ccccc1C(=O)OC(C)C 271570a_100000694244_100000169877 [0,1,0,0,0,0|2,0,0]=3 294 B15R1.5509 CC(C)CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210624 [0,1,0,0,0,0|2,0,1]=4 295 B15R1.5509 CC(C)CC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210624 [0,1,0,0,0,0|3,0,0]=4 296 B15R1.5509 CC(C)CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210624 [0,1,0,0,0,0|2,0,1]=4 297 B15R1.5509 CC(C)CN(C)c1ccccc1C(=O)O 269956a_100000216462_200000210301 [0,1,0,0,0,0|3,0,0]=4 298 B15R1.5509 CC(C)CN([13CH3])c1ccccc1C(=O)O 269956a_100000216462_200025704644 [0,1,0,0,0,0|3,0,0]=4 299 B15R1.5509 CC(C)NC(=O)c1ccccc1I(=O)=O 1626a_100138425928_100000061294 [0,1,0,0,0,0|2,0,1]=4 300 B15R1.5509 CC(C)NC(=O)c1ccccc1I(=O)=O 240690a_100138425928_100000061294 [0,1,0,0,0,0|2,0,1]=4 301 B15R1.5509 CC(C)NC(=O)c1ccccc1S(=O)C 1626a_100138425928_100000204632 [0,1,0,0,0,0|3,0,0]=4 302 B15R1.5509 CC(C)NC(=O)c1ccccc1S(=O)C 240690a_100138425928_100000204632 [0,1,0,0,0,0|3,0,0]=4 303 B15R1.5509 CC(C)NC(=O)c1ccccc1[N+](=O)[O-] 11a_100138425928_100000188706 [0,1,0,0,0,0|2,0,1]=4 304 B15R1.5509 CC(C)NC(=O)c1ccccc1[N+](=O)[O-] 1626a_100138425928_100000188706 [0,1,0,0,0,0|2,0,1]=4 305 B15R1.5509 CC(C)NC(=O)c1ccccc1[N+](=O)[O-] 240690a_100138425928_100000188706 [0,1,0,0,0,0|2,0,1]=4 306 B15R1.5509 CC(C)NC(=O)c1ccccc1[N+](=O)[O-] 527a_100138425928_100000188706 [0,1,0,0,0,0|2,0,1]=4 307 B15R1.5509 CC(C)OC(=O)c1ccccc1N(C)C 269982a_100000170470_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B15R1.5509 CC(C)OC(=O)c1ccccc1N(C)C 38a_100000170470_200000210301 [0,1,0,0,0,0|3,0,0]=4 309 B15R1.5509 CC(C)OC(=O)c1ccccc1N(C)[13CH3] 269982a_100000170470_200025704644 [0,1,0,0,0,0|3,0,0]=4 310 B15R1.5509 CC(C)OC(=O)c1ccccc1N(C)[13CH3] 38a_100000170470_200025704644 [0,1,0,0,0,0|3,0,0]=4 311 B15R1.5509 CC(O)CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100011218427 [0,1,0,0,0,0|2,0,1]=4 312 B15R1.5509 CC(O)CC(=O)c1ccccc1S(=O)C 1458a_100000204632_100011218427 [0,1,0,0,0,0|3,0,0]=4 313 B15R1.5509 CC(O)CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100011218427 [0,1,0,0,0,0|2,0,1]=4 314 B15R1.10569 C=C(C)c1cc(ccc1C(=O)NCC)F 271570a_100000694244_100000203945 [0,1,0,0,0,0|3,0,0]=4 315 B15R1.10569 C=C(C)c1cc(ccc1C(=O)OCC)C 271570a_100000694244_200012185120 [0,1,0,0,0,0|2,0,0]=3 316 B15R1.10569 C=C(C)c1cc(ccc1C(=O)OCC)Cl 271570a_100000694244_100000047509 [0,1,0,0,0,0|2,0,0]=3 317 B15R1.10569 C=C(C)c1cc(ccc1C(=O)OCC)F 271570a_100000694244_100011206307 [0,1,0,0,0,0|2,0,0]=3 318 B15R1.10569 CCCC(=O)c1ccc(cc1[N+](=O)[O-])Br 1458a_100000767047_100000210303 [0,1,0,0,0,0|2,0,1]=4 319 B15R1.10569 CCCC(=O)c1ccc(cc1[N+](=O)[O-])C 1458a_100011827699_100000210303 [0,1,0,0,0,0|2,0,1]=4 320 B15R1.10569 CCCC(=O)c1ccc(cc1[N+](=O)[O-])Cl 1458a_100000210460_100000210303 [0,1,0,0,0,0|2,0,1]=4 321 B15R1.10569 CCCC(=O)c1ccc(cc1[N+](=O)[O-])F 1458a_100000686224_100000210303 [0,1,0,0,0,0|2,0,1]=4 322 B15R1.10569 CCCC(=O)c1ccc(cc1[N+](=O)[O-])I 1458a_100000718686_100000210303 [0,1,0,0,0,0|2,0,1]=4 323 B15R1.10569 CCCC(=O)c1ccc(cc1[N+](=O)[O-])O 1458a_100000701580_100000210303 [0,1,0,0,0,0|2,0,1]=4 324 B15R1.10569 CCCN(C)c1ccc(cc1C(=O)O)C 269956a_100000216465_200000210301 [0,1,0,0,0,0|3,0,0]=4 325 B15R1.10569 CCCN([13CH3])c1ccc(cc1C(=O)O)C 269956a_100000216465_200025704644 [0,1,0,0,0,0|3,0,0]=4 326 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])Br 11a_100015525214_100000767047 [0,1,0,0,0,0|2,0,1]=4 327 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])Br 240690a_100015525214_100000767047 [0,1,0,0,0,0|2,0,1]=4 328 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])Br 527a_100015525214_100000767047 [0,1,0,0,0,0|2,0,1]=4 329 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])C 11a_100015525214_100011827699 [0,1,0,0,0,0|2,0,1]=4 330 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])C 240690a_100015525214_100011827699 [0,1,0,0,0,0|2,0,1]=4 331 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])C 527a_100015525214_100011827699 [0,1,0,0,0,0|2,0,1]=4 332 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])Cl 240690a_100015525214_100000210460 [0,1,0,0,0,0|2,0,1]=4 333 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])Cl 527a_100015525214_100000210460 [0,1,0,0,0,0|2,0,1]=4 334 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])F 11a_100015525214_100000686224 [0,1,0,0,0,0|2,0,1]=4 335 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])F 240690a_100015525214_100000686224 [0,1,0,0,0,0|2,0,1]=4 336 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])F 527a_100015525214_100000686224 [0,1,0,0,0,0|2,0,1]=4 337 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])I 11a_100015525214_100000718686 [0,1,0,0,0,0|2,0,1]=4 338 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])I 240690a_100015525214_100000718686 [0,1,0,0,0,0|2,0,1]=4 339 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])I 527a_100015525214_100000718686 [0,1,0,0,0,0|2,0,1]=4 340 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])O 240690a_100015525214_100000701580 [0,1,0,0,0,0|2,0,1]=4 341 B15R1.10569 CCNC(=O)c1ccc(cc1[N+](=O)[O-])O 527a_100015525214_100000701580 [0,1,0,0,0,0|2,0,1]=4 342 B15R1.10569 CCOC(=O)c1ccc(cc1B(O)O)O 271570a_203496583355_200010177511 [0,1,0,0,0,0|1,0,1]=3 343 B15R1.10569 CCOC(=O)c1ccc(cc1N(C)C)F 27a_100102631434_100011206307 [0,1,0,0,0,0|3,0,0]=4 344 B15R1.10602 C=C(C)c1c(cccc1C(=O)OCC)C 271570a_100000694244_200012184857 [0,1,0,0,0,0|2,0,0]=3 345 B15R1.10602 C=C(C)c1c(cccc1C(=O)OCC)F 271570a_100000694244_100012357632 [0,1,0,0,0,0|2,0,0]=3 346 B15R1.10602 CCCC(=O)c1cccc(c1[N+](=O)[O-])Br 1458a_100010232116_100000210303 [0,1,0,0,0,0|2,0,1]=4 347 B15R1.10602 CCCC(=O)c1cccc(c1[N+](=O)[O-])C 1458a_100000211462_100000210303 [0,1,0,0,0,0|2,0,1]=4 348 B15R1.10602 CCCC(=O)c1cccc(c1[N+](=O)[O-])Cl 1458a_100000766603_100000210303 [0,1,0,0,0,0|2,0,1]=4 349 B15R1.10602 CCCC(=O)c1cccc(c1[N+](=O)[O-])F 1458a_100000068878_100000210303 [0,1,0,0,0,0|2,0,1]=4 350 B15R1.10602 CCCC(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_100000210303 [0,1,0,0,0,0|2,0,1]=4 351 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])Br 11a_100015525214_100010232116 [0,1,0,0,0,0|2,0,1]=4 352 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])Br 240690a_100015525214_100010232116 [0,1,0,0,0,0|2,0,1]=4 353 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])C 11a_100015525214_100000211462 [0,1,0,0,0,0|2,0,1]=4 354 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])C 240690a_100015525214_100000211462 [0,1,0,0,0,0|2,0,1]=4 355 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])C 527a_100015525214_100000211462 [0,1,0,0,0,0|2,0,1]=4 356 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])Cl 11a_100015525214_100000766603 [0,1,0,0,0,0|2,0,1]=4 357 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])Cl 240690a_100015525214_100000766603 [0,1,0,0,0,0|2,0,1]=4 358 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])Cl 527a_100015525214_100000766603 [0,1,0,0,0,0|2,0,1]=4 359 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])F 240690a_100015525214_100000068878 [0,1,0,0,0,0|2,0,1]=4 360 B15R1.10602 CCNC(=O)c1cccc(c1[N+](=O)[O-])O 240690a_100015525214_100000688640 [0,1,0,0,0,0|2,0,1]=4 361 B15R1.10616 C=C(C)c1cccc(c1C(=O)OCC)F 271570a_100000694244_100012357633 [0,1,0,0,0,0|2,0,0]=3 362 B15R1.10616 C=C(C)c1nccc(c1C(=O)OCC)C 271570a_100000694244_100010068243 [0,1,0,0,0,0|3,0,0]=4 363 B15R1.10616 CCCC(=O)c1c(cccc1[N+](=O)[O-])Br 1458a_100000690006_100000210303 [0,1,0,0,0,0|2,0,1]=4 364 B15R1.10616 CCCC(=O)c1c(cccc1[N+](=O)[O-])C 1458a_100000234352_100000210303 [0,1,0,0,0,0|2,0,1]=4 365 B15R1.10616 CCCC(=O)c1c(cccc1[N+](=O)[O-])Cl 1458a_100000752432_100000210303 [0,1,0,0,0,0|2,0,1]=4 366 B15R1.10616 CCCC(=O)c1c(cccc1[N+](=O)[O-])F 1458a_100011219868_100000210303 [0,1,0,0,0,0|2,0,1]=4 367 B15R1.10616 CCCC(=O)c1c(cccc1[N+](=O)[O-])O 1458a_100012186653_100000210303 [0,1,0,0,0,0|2,0,1]=4 368 B15R1.10616 CCNC(=O)c1c(cccc1[N+](=O)[O-])Br 11a_100015525214_100000690006 [0,1,0,0,0,0|2,0,1]=4 369 B15R1.10616 CCNC(=O)c1c(cccc1[N+](=O)[O-])Br 240690a_100015525214_100000690006 [0,1,0,0,0,0|2,0,1]=4 370 B15R1.10616 CCNC(=O)c1c(cccc1[N+](=O)[O-])Br 527a_100015525214_100000690006 [0,1,0,0,0,0|2,0,1]=4 371 B15R1.10616 CCNC(=O)c1c(cccc1[N+](=O)[O-])C 240690a_100015525214_100000234352 [0,1,0,0,0,0|2,0,1]=4 372 B15R1.10616 CCNC(=O)c1c(cccc1[N+](=O)[O-])Cl 11a_100015525214_100000752432 [0,1,0,0,0,0|2,0,1]=4 373 B15R1.10616 CCNC(=O)c1c(cccc1[N+](=O)[O-])Cl 240690a_100015525214_100000752432 [0,1,0,0,0,0|2,0,1]=4 374 B15R1.10616 CCNC(=O)c1c(cccc1[N+](=O)[O-])F 240690a_100015525214_100011219868 [0,1,0,0,0,0|2,0,1]=4 375 B15R1.10616 CCNC(=O)c1c(cccc1[N+](=O)[O-])F 527a_100015525214_100011219868 [0,1,0,0,0,0|2,0,1]=4 376 B15R1.10616 CCNC(=O)c1c(cccc1[N+](=O)[O-])O 240690a_100015525214_100012186653 [0,1,0,0,0,0|2,0,1]=4 377 B15R1.10616 CCOC(=O)c1c(cccc1N(C)C)F 27a_100102631434_100012357633 [0,1,0,0,0,0|3,0,0]=4 378 B15R2.1221 CC(=O)c1ccccc1C2=CCCC2 271570a_100000089523_100000751169 [0,0,0,1,0,0|3,0,0]=4 379 B15R2.1221 NC(=O)c1ccccc1C2=CCCC2 271570a_100000089523_100000162227 [0,0,0,1,0,0|3,0,0]=4 380 B15R2.4382 CCNc1ccc(c2c1cccc2)O 34a_100000705857_100000210202 [0,0,0,1,0,0|3,0,0]=4 381 B15R2.4382 CCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000210202 [0,0,0,1,0,0|2,0,1]=4 382 B15R2.4382 CCOc1ccc(c2c1cccc2)Br 34a_100000186334_100000210202 [0,0,0,1,0,0|3,0,0]=4 383 B15R2.4382 CCOc1ccc(c2c1cccc2)Br 7a_100000186334_100000210202 [0,0,0,1,0,0|3,0,0]=4 384 B15R2.4382 CCOc1ccc(c2c1cccc2)C 34a_100000074455_100000210202 [0,0,0,1,0,0|3,0,0]=4 385 B15R2.4382 CCOc1ccc(c2c1cccc2)C 7a_100000074455_100000210202 [0,0,0,1,0,0|3,0,0]=4 386 B15R2.4382 CCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100000210202 [0,0,0,1,0,0|3,0,0]=4 387 B15R2.4382 CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100000210202 [0,0,0,1,0,0|3,0,0]=4 388 B15R2.4382 CCOc1ccc(c2c1cccc2)F 34a_100000100223_100000210202 [0,0,0,1,0,0|3,0,0]=4 389 B15R2.4382 CCOc1ccc(c2c1cccc2)F 7a_100000100223_100000210202 [0,0,0,1,0,0|3,0,0]=4 390 B15R2.4382 CCOc1ccc(c2c1cccc2)N 34a_100000705857_100000210202 [0,0,0,1,0,0|3,0,0]=4 391 B15R2.4382 CCOc1ccc(c2c1cccc2)N 7a_100000705857_100000210202 [0,0,0,1,0,0|3,0,0]=4 392 B15R2.4382 CCOc1cnc(c2c1cccc2)Cl 34a_100000067196_100000210202 [0,0,0,1,0,0|3,0,0]=4 393 B15R2.4382 CCOc1cnc(c2c1cccc2)Cl 7a_100000067196_100000210202 [0,0,0,1,0,0|3,0,0]=4 394 B15R2.4382 CCOc1nnc(c2c1cccc2)C 34a_100000183092_100000210202 [0,0,0,1,0,0|3,0,0]=4 395 B15R2.4382 CCSc1ccc(c2c1cccc2)O 62a_100000210202_100000186334 [0,0,0,1,0,0|2,1,0]=4 396 B15R2.4382 CCSc1cnc(c2c1cccc2)O 62a_100000210202_100009816523 [0,0,0,1,0,0|2,1,0]=4 397 B15R2.4382 CCSc1n[nH]c(=O)c2c1cccc2 62a_100000210202_100010235092 [0,0,0,1,0,0|2,1,0]=4 398 B15R2.4382 CCSc1ncc(c2c1cccc2)O 62a_100000210202_100000067196 [0,0,0,1,0,0|2,1,0]=4 399 B15R2.16318 C=C(c1ccccc1C(=O)C)C2CC2 271570a_100010895485_100000751169 [0,0,0,1,0,0|3,0,0]=4 400 B15R2.16318 C=C(c1ccccc1C(=O)N)C2CC2 271570a_100010895485_100000162227 [0,0,0,1,0,0|3,0,0]=4 401 B15R2.17198 CCOC(=O)c1ccccc1C2CC2 271570a_100011220607_100000169879 [0,0,0,1,0,0|2,0,1]=4 402 B15R2.61345 C=C(C)c1cccc2c1C(=O)CCC2 271570a_100000694244_100009816782 [0,0,0,1,0,0|3,0,0]=4 403 B13R1.467 C=C(C)c1cscc1C(=O)OCC 271570a_100000694244_100012353568 [0,0,0,0,1,0|3,0,0]=4 404 B13R1.467 C=C(C)c1sccc1C(=O)OCC 271570a_100000694244_100010219215 [0,0,0,0,1,0|3,0,0]=4 405 B15R1.810 CCNC(=O)c1ccccc1C=C(C)C 271570a_100102525489_200000155173 [0,0,0,0,0,1|3,0,0]=4 406 B15R1.810 CCNC(=O)c1ccccc1NC(=O)C 11a_100000205978_100015343762 [0,0,0,0,0,1|2,0,0]=3 407 B15R1.810 CCNC(=O)c1ccccc1NC(=O)C 1626a_100000205978_100015343762 [0,0,0,0,0,1|2,0,0]=3 408 B15R1.810 CCNC(=O)c1ccccc1NC(=O)C 22a_100000205978_100000070787 [0,0,0,0,0,1|2,0,0]=3 409 B15R1.810 CCNC(=O)c1ccccc1OC(=O)C 240690a_100015525214_100000210466 [0,0,0,0,0,1|2,0,0]=3 410 B15R1.810 CCOC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000169879 [0,0,0,0,0,1|2,0,0]=3 411 B15R1.810 CCOC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100009816840 [0,0,0,0,0,1|1,0,0]=2 412 B15R1.810 CCOC(=O)c1ccccc1CN(C)C 2230a_100102631434_100009816840 [0,0,0,0,0,1|3,0,0]=4 413 B15R1.810 CCOC(=O)c1ccccc1CN(C)C 269982a_100102631434_100009816840 [0,0,0,0,0,1|3,0,0]=4 414 B15R1.810 CCOC(=O)c1ccccc1CN(C)C 270004a_100102631434_200000006220 [0,0,0,0,0,1|3,0,0]=4 415 B15R1.810 CCOC(=O)c1ccccc1OC(C)C 7a_100000169922_100000210206 [0,0,0,0,0,1|2,0,1]=4 416 B15R1.810 CCOC(=O)c1ccccc1SC(C)C 62a_100000169876_100000210206 [0,0,0,0,0,1|2,0,1]=4 417 B15R1.810 CCOC(=O)c1ccccc1SC(C)C 62a_100000210206_100000169879 [0,0,0,0,0,1|2,0,1]=4 418 B15R1.810 CCOC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000170124 [0,0,0,0,0,1|3,0,0]=4 419 B15R1.810 CCOC(=O)c1ccncc1C=C(C)C 271570a_100102525489_100010238393 [0,0,0,0,0,1|3,0,0]=4 420 B15R1.810 CCOC(=O)c1cnccc1C=C(C)C 271570a_100102525489_100016987518 [0,0,0,0,0,1|3,0,0]=4 421 B15R1.810 CCOC(=O)c1ncccc1C=C(C)C 271570a_100102525489_100012351660 [0,0,0,0,0,1|3,0,0]=4 422 B15R1.810 CONC(=O)c1ccccc1NC(=O)C 11a_100011599994_100015343762 [0,0,0,0,0,1|3,0,0]=4 423 B15R1.810 CONC(=O)c1ccccc1NC(=O)C 1626a_100011599994_100015343762 [0,0,0,0,0,1|3,0,0]=4 424 B15R1.810 CONC(=O)c1ccccc1NC(=O)C 22a_100011599994_100000070787 [0,0,0,0,0,1|3,0,0]=4 425 B15R1.1274 C=C(C)c1ccccc1CC(=O)NCC 271570a_100000694244_200009816148 [0,0,0,0,0,1|3,0,0]=4 426 B15R1.1274 C=C(C)c1ccccc1CC(=O)OCC 271570a_100000694244_100011218996 [0,0,0,0,0,1|2,0,0]=3 427 B15R1.1274 C=C(C)c1ccccc1NC(=O)CCC 11a_100000037685_100000211992 [0,0,0,0,0,1|3,0,0]=4 428 B15R1.1274 C=C(C)c1ccccc1NC(=O)CCC 1626a_100000037685_100000211992 [0,0,0,0,0,1|3,0,0]=4 429 B15R1.1274 C=C(C)c1ccccc1NC(=O)CCC 22a_100000037685_100000211992 [0,0,0,0,0,1|3,0,0]=4 430 B15R1.1274 C=C(C)c1ccccc1NC(=O)CCC 271570a_100000694244_100000153530 [0,0,0,0,0,1|3,0,0]=4 431 B15R1.1274 C=C(C)c1ccccc1NC(=O)NCC 2430a_100000037685_100015525214 [0,0,0,0,0,1|3,0,0]=4 432 B15R1.1274 C=C(C)c1cccnc1CC(=O)OCC 271570a_100000694244_100016306959 [0,0,0,0,0,1|3,0,0]=4 433 B15R1.1274 C=C(C)c1cnccc1CC(=O)OCC 271570a_100000694244_100010089795 [0,0,0,0,0,1|3,0,0]=4 434 B15R1.1274 C=C(C)c1ncccc1CC(=O)OCC 271570a_100000694244_100009886914 [0,0,0,0,0,1|3,0,0]=4 435 B15R1.1274 CC#CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000763181 [0,0,0,0,0,1|2,0,1]=4 436 B15R1.1274 CC=CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210699 [0,0,0,0,0,1|2,0,1]=4 437 B15R1.1274 CC=CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210699 [0,0,0,0,0,1|2,0,1]=4 438 B15R1.1274 CC=CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210699 [0,0,0,0,0,1|2,0,1]=4 439 B15R1.1274 CCCC(=O)Cc1ccccc1B(O)O 1458a_100000211992_100009814197 [0,0,0,0,0,1|2,0,1]=4 440 B15R1.1274 CCCC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000188737_100000210303 [0,0,0,0,0,1|2,0,1]=4 441 B15R1.1274 CCCC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000211992_100000181388 [0,0,0,0,0,1|2,0,1]=4 442 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)C 1458a_100011208156_200000210301 [0,0,0,0,0,1|2,0,0]=3 443 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000211992 [0,0,0,0,0,1|2,0,0]=3 444 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000211992 [0,0,0,0,0,1|2,0,0]=3 445 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000211992 [0,0,0,0,0,1|2,0,0]=3 446 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100011208156_200025704644 [0,0,0,0,0,1|2,0,0]=3 447 B15R1.1274 CCCC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100000211992 [0,0,0,0,0,1|2,1,0]=4 448 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_100000766640_100000734275 [0,0,0,0,0,1|2,0,1]=4 449 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000766640 [0,0,0,0,0,1|2,0,1]=4 450 B15R1.1274 CCNC(=O)Cc1ccccc1[N+](=O)[O-] 11a_100015525214_100000188737 [0,0,0,0,0,1|2,0,1]=4 451 B15R1.1274 CCNC(=O)Cc1ccccc1[N+](=O)[O-] 240690a_100015525214_100000188737 [0,0,0,0,0,1|2,0,1]=4 452 B15R1.1274 CCNC(=O)Cc1ccccc1[N+](=O)[O-] 527a_100015525214_100000188737 [0,0,0,0,0,1|2,0,1]=4 453 B15R1.1274 CCNC(=O)Nc1ccccc1C(=S)N 2430a_100000206033_100015525214 [0,0,0,0,0,1|2,1,0]=4 454 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)C 2230a_106832991635_100000183221 [0,0,0,0,0,1|3,0,0]=4 455 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)C 7a_106832991635_100000183221 [0,0,0,0,0,1|3,0,0]=4 456 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)N 2230a_106832991635_100000182880 [0,0,0,0,0,1|3,0,0]=4 457 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)N 7a_106832991635_100000182880 [0,0,0,0,0,1|3,0,0]=4 458 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)C 1458a_100000194449_200000210301 [0,0,0,0,0,1|3,0,0]=4 459 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210968 [0,0,0,0,0,1|3,0,0]=4 460 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210968 [0,0,0,0,0,1|3,0,0]=4 461 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210968 [0,0,0,0,0,1|3,0,0]=4 462 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194449_200025704644 [0,0,0,0,0,1|3,0,0]=4 463 B15R1.1274 CSCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000184570 [0,0,0,0,0,1|3,0,0]=4 464 B15R1.1274 CSCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000184570 [0,0,0,0,0,1|3,0,0]=4 465 B15R1.1274 CSCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000184570 [0,0,0,0,0,1|3,0,0]=4 466 B15R1.1274 CSCC(=O)Nc1ccccc1C(=O)N 62a_100000182880_200000210301 [0,0,0,0,0,1|3,0,0]=4 467 B15R1.1274 NC(=O)c1ccccc1NC(=O)CCO 22a_100000185089_100011216618 [0,0,0,0,0,1|3,0,0]=4 468 B15R1.1274 [13CH3]SCC(=O)Nc1ccccc1C(=O)N 62a_100000182880_200025704644 [0,0,0,0,0,1|3,0,0]=4 469 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [2,0,0,0,0,0|1,0,1]=4 470 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [2,0,0,0,0,0|1,0,0]=3 471 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [2,0,0,0,0,0|2,0,0]=4 472 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [2,0,0,0,0,0|2,0,0]=4 473 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [2,0,0,0,0,0|2,0,0]=4 474 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [2,0,0,0,0,0|1,0,0]=3 475 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [2,0,0,0,0,0|2,0,0]=4 476 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [2,0,0,0,0,0|2,0,0]=4 477 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [2,0,0,0,0,0|2,0,0]=4 478 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [2,0,0,0,0,0|2,0,0]=4 479 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [2,0,0,0,0,0|1,0,1]=4 480 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [2,0,0,0,0,0|1,0,1]=4 481 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [2,0,0,0,0,0|0,0,1]=3 482 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [2,0,0,0,0,0|1,0,0]=3 483 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [2,0,0,0,0,0|2,0,0]=4 484 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [2,0,0,0,0,0|2,0,0]=4 485 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [2,0,0,0,0,0|2,0,0]=4 486 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [2,0,0,0,0,0|2,0,0]=4 487 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [2,0,0,0,0,0|2,0,0]=4 488 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [2,0,0,0,0,0|2,0,0]=4 489 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [2,0,0,0,0,0|2,0,0]=4 490 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [2,0,0,0,0,0|2,0,0]=4 491 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [2,0,0,0,0,0|2,0,0]=4 492 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [2,0,0,0,0,0|2,0,0]=4 493 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [2,0,0,0,0,0|2,0,0]=4 494 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [2,0,0,0,0,0|2,0,0]=4 495 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [2,0,0,0,0,0|2,0,0]=4 496 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [2,0,0,0,0,0|1,0,1]=4 497 B12R1.77 O=Ic1ccccc1C(=O)CF 1458a_100000032414_100015361967 [2,0,0,0,0,0|2,0,0]=4 498 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [2,0,0,0,0,0|1,0,1]=4 499 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [2,0,0,0,0,0|1,0,1]=4 500 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [2,0,0,0,0,0|1,0,1]=4 501 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [2,0,0,0,0,0|1,0,1]=4 502 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [2,0,0,0,0,0|2,0,0]=4 503 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [2,0,0,0,0,0|2,0,0]=4 504 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [2,0,0,0,0,0|1,0,1]=4 505 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [2,0,0,0,0,0|0,0,1]=3 506 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [2,0,0,0,0,0|0,0,2]=4 507 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [2,0,0,0,0,0|0,1,1]=4 508 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [2,0,0,0,0,0|0,1,1]=4 509 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [2,0,0,0,0,0|2,0,0]=4 510 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [2,0,0,0,0,0|1,0,1]=4 511 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [2,0,0,0,0,0|2,0,0]=4 512 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [2,0,0,0,0,0|2,0,0]=4 513 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [2,0,0,0,0,0|2,0,0]=4 514 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [2,0,0,0,0,0|1,0,0]=3 515 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [2,0,0,0,0,0|1,0,1]=4 516 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [2,0,0,0,0,0|2,0,0]=4 517 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [2,0,0,0,0,0|2,0,0]=4 518 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [2,0,0,0,0,0|2,0,0]=4 519 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [2,0,0,0,0,0|1,0,1]=4 520 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [2,0,0,0,0,0|1,0,1]=4 521 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [2,0,0,0,0,0|1,0,1]=4 522 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [2,0,0,0,0,0|2,0,0]=4 523 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [2,0,0,0,0,0|2,0,0]=4 524 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [2,0,0,0,0,0|2,0,0]=4 525 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [2,0,0,0,0,0|2,0,0]=4 526 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [2,0,0,0,0,0|2,0,0]=4 527 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [2,0,0,0,0,0|2,0,0]=4 528 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [2,0,0,0,0,0|2,0,0]=4 529 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [2,0,0,0,0,0|2,0,0]=4 530 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [2,0,0,0,0,0|2,0,0]=4 531 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [2,0,0,0,0,0|1,0,0]=3 532 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [2,0,0,0,0,0|1,0,0]=3 533 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [2,0,0,0,0,0|1,0,1]=4 534 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [2,0,0,0,0,0|1,0,1]=4 535 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [2,0,0,0,0,0|2,0,0]=4 536 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [2,0,0,0,0,0|0,0,0]=2 537 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [2,0,0,0,0,0|1,0,0]=3 538 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [2,0,0,0,0,0|1,0,0]=3 539 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [2,0,0,0,0,0|1,0,0]=3 540 B12R1.308 CCOC(=O)c1cncnc1O 271570a_203496583355_100011998183 [2,0,0,0,0,0|2,0,0]=4 541 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [2,0,0,0,0,0|1,0,0]=3 542 B12R1.308 CCOC(=O)c1ncncc1O 271570a_203496583355_100012344254 [2,0,0,0,0,0|2,0,0]=4 543 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [2,0,0,0,0,0|2,0,0]=4 544 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [2,0,0,0,0,0|2,0,0]=4 545 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [2,0,0,0,0,0|2,0,0]=4 546 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [2,0,0,0,0,0|2,0,0]=4 547 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [2,0,0,0,0,0|2,0,0]=4 548 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [2,0,0,0,0,0|2,0,0]=4 549 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [2,0,0,0,0,0|2,0,0]=4 550 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [2,0,0,0,0,0|2,0,0]=4 551 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [2,0,0,0,0,0|2,0,0]=4 552 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [2,0,0,0,0,0|2,0,0]=4 553 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [2,0,0,0,0,0|1,0,1]=4 554 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [2,0,0,0,0,0|2,0,0]=4 555 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [2,0,0,0,0,0|1,0,1]=4 556 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [2,0,0,0,0,0|2,0,0]=4 557 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [2,0,0,0,0,0|1,0,1]=4 558 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [2,0,0,0,0,0|1,0,1]=4 559 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [2,0,0,0,0,0|2,0,0]=4 560 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [2,0,0,0,0,0|1,0,1]=4 561 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [2,0,0,0,0,0|1,0,1]=4 562 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [2,0,0,0,0,0|2,0,0]=4 563 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [2,0,0,0,0,0|1,0,0]=3 564 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [2,0,0,0,0,0|1,0,0]=3 565 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [2,0,0,0,0,0|1,0,0]=3 566 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [2,0,0,0,0,0|1,0,0]=3 567 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [2,0,0,0,0,0|0,0,1]=3 568 B12R1.283 CCOc1ccccc1C(=S)N 7a_100000745089_100000210202 [2,0,0,0,0,0|1,1,0]=4 569 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [2,0,0,0,0,0|1,0,1]=4 570 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [2,0,0,0,0,0|1,0,1]=4 571 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210202 [2,0,0,0,0,0|1,0,1]=4 572 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210202 [2,0,0,0,0,0|1,0,1]=4 573 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [2,0,0,0,0,0|2,0,0]=4 574 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [2,0,0,0,0,0|2,0,0]=4 575 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [2,0,0,0,0,0|2,0,0]=4 576 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [2,0,0,0,0,0|2,0,0]=4 577 B12R1.283 CCOc1ccncc1C(=O)N 34a_200011998761_100000210202 [2,0,0,0,0,0|2,0,0]=4 578 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [2,0,0,0,0,0|2,0,0]=4 579 B12R1.283 CCOc1cnccc1C(=O)N 7a_100012022987_100000210202 [2,0,0,0,0,0|2,0,0]=4 580 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [2,0,0,0,0,0|1,1,0]=4 581 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [2,0,0,0,0,0|1,1,0]=4 582 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000162227_100000210202 [2,0,0,0,0,0|1,1,0]=4 583 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000210202_100000162227 [2,0,0,0,0,0|1,1,0]=4 584 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [2,0,0,0,0,0|0,1,0]=3 585 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [2,0,0,0,0,0|0,1,0]=3 586 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [2,0,0,0,0,0|1,1,0]=4 587 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [2,0,0,0,0,0|1,0,1]=4 588 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [2,0,0,0,0,0|1,0,1]=4 589 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [2,0,0,0,0,0|1,0,1]=4 590 B12R1.283 NC(=O)c1ccccc1OCF 34a_100000192804_100015361967 [2,0,0,0,0,0|2,0,0]=4 591 B12R1.283 NC(=O)c1ccccc1OCF 7a_100000192804_100015361967 [2,0,0,0,0,0|2,0,0]=4 592 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [2,0,0,0,0,0|1,1,0]=4 593 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [2,0,0,0,0,0|1,1,0]=4 594 B12R1.283 O=C([O-])c1ccccc1OCF 7a_100015234032_100015361967 [2,0,0,0,0,0|1,0,1]=4 595 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [2,0,0,0,0,0|1,0,1]=4 596 B14R1.95 C=Cc1ccccc1C(=O)C(C)CC 1458a_100011830265_100000758301 [1,1,0,0,0,0|2,0,0]=4 597 B14R1.95 C=Cc1ccccc1C(=O)N(C)CC 1626a_100000225621_100011830265 [1,1,0,0,0,0|2,0,0]=4 598 B14R1.95 CCC(C)C(=O)c1ccccc1CO 1458a_100011301526_100000758301 [1,1,0,0,0,0|1,0,1]=4 599 B14R1.95 CCC(C)C(=O)c1ccccc1I=O 1458a_100000032414_100000758301 [1,1,0,0,0,0|2,0,0]=4 600 B14R1.95 CCN(C)C(=O)c1ccccc1I=O 1626a_100000225621_100000032414 [1,1,0,0,0,0|2,0,0]=4 601 B14R1.95 CCN(C)C(=O)c1ccccc1I=O 240690a_100000225621_100000032414 [1,1,0,0,0,0|2,0,0]=4 602 B14R1.95 CCN(C)C(=O)c1ccccc1I=O 527a_100000225621_100000032414 [1,1,0,0,0,0|2,0,0]=4 603 B14R1.263 C=C=Cc1ccccc1C(=O)NCC 271570a_100015277604_200000155173 [1,1,0,0,0,0|2,0,0]=4 604 B14R1.263 C=C=Cc1ccccc1C(=O)OCC 271570a_100015277604_100000169879 [1,1,0,0,0,0|1,0,0]=3 605 B14R1.263 C=C=Cc1cccnc1C(=O)OCC 271570a_100015277604_100012351660 [1,1,0,0,0,0|2,0,0]=4 606 B14R1.263 C=C=Cc1ccncc1C(=O)OCC 271570a_100015277604_100016987518 [1,1,0,0,0,0|2,0,0]=4 607 B14R1.263 C=C=Cc1cnccc1C(=O)OCC 271570a_100015277604_100010238393 [1,1,0,0,0,0|2,0,0]=4 608 B14R1.263 C=C=Cc1ncccc1C(=O)OCC 271570a_100015277604_100000170124 [1,1,0,0,0,0|2,0,0]=4 609 B14R1.263 CC=Cc1ccccc1C(=O)NCC 271570a_100016259895_200000155173 [1,1,0,0,0,0|2,0,0]=4 610 B14R1.263 CC=Cc1ccccc1C(=O)OCC 271570a_100016259895_100000169879 [1,1,0,0,0,0|1,0,0]=3 611 B14R1.263 CC=Cc1cccnc1C(=O)OCC 271570a_100016259895_100012351660 [1,1,0,0,0,0|2,0,0]=4 612 B14R1.263 CC=Cc1ccncc1C(=O)OCC 271570a_100016259895_100016987518 [1,1,0,0,0,0|2,0,0]=4 613 B14R1.263 CC=Cc1cnccc1C(=O)OCC 271570a_100016259895_100010238393 [1,1,0,0,0,0|2,0,0]=4 614 B14R1.263 CC=Cc1ncccc1C(=O)OCC 271570a_100016259895_100000170124 [1,1,0,0,0,0|2,0,0]=4 615 B14R1.263 CCCC(=O)c1ccccc1COC 1458a_100000737999_100000210303 [1,1,0,0,0,0|1,0,1]=4 616 B14R1.263 CCNC(=O)c1ccccc1COC 11a_100015525214_100000737999 [1,1,0,0,0,0|1,0,1]=4 617 B14R1.263 CCNC(=O)c1ccccc1COC 240690a_100015525214_100000737999 [1,1,0,0,0,0|1,0,1]=4 618 B14R1.263 CCNC(=O)c1ccccc1COC 527a_100015525214_100000737999 [1,1,0,0,0,0|1,0,1]=4 619 B14R1.263 CCOC(=O)c1ccccc1CNC 2230a_106832991635_100009816840 [1,1,0,0,0,0|1,0,1]=4 620 B14R1.263 CCOC(=O)c1ccccc1CNC 270004a_106832991635_200000006220 [1,1,0,0,0,0|1,0,1]=4 621 B14R1.263 CCOC(=O)c1ccccc1CNC 34a_100102657272_100009816840 [1,1,0,0,0,0|1,0,1]=4 622 B14R1.263 CCOC(=O)c1ccccc1CNC 7a_106832991635_100009816840 [1,1,0,0,0,0|1,0,1]=4 623 B14R1.263 CCOC(=O)c1ccccc1COC 34a_100138415774_100009816840 [1,1,0,0,0,0|0,0,1]=3 624 B14R1.263 CCOC(=O)c1ccccc1CSC 62a_100009816840_200000210301 [1,1,0,0,0,0|0,1,1]=4 625 B14R1.263 CCOC(=O)c1ccccc1CSC 62a_200000210301_100009816840 [1,1,0,0,0,0|0,1,1]=4 626 B14R1.263 CCOC(=O)c1ccccc1CS[13CH3] 62a_100009816840_200025704644 [1,1,0,0,0,0|0,1,1]=4 627 B14R1.263 CCOC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100009816840 [1,1,0,0,0,0|0,1,1]=4 628 B14R1.263 CCOC(=O)c1ccccc1OCC 7a_100000169922_100000210202 [1,1,0,0,0,0|1,0,1]=4 629 B14R1.263 CCOC(=O)c1ccccc1OCF 7a_100000169922_100015361967 [1,1,0,0,0,0|1,0,1]=4 630 B14R1.263 CCOC(=O)c1ccccc1SCC 62a_100000169876_100000210202 [1,1,0,0,0,0|1,0,1]=4 631 B14R1.263 CCOC(=O)c1ccccc1SCC 62a_100000210202_100000169879 [1,1,0,0,0,0|1,0,1]=4 632 B14R1.263 CCOC(=O)c1ccccc1SCF 62a_100000169876_100015361967 [1,1,0,0,0,0|1,0,1]=4 633 B14R1.263 CCOC(=O)c1ccccc1SCF 62a_100015361967_100000169879 [1,1,0,0,0,0|1,0,1]=4 634 B14R1.599 C=Cc1ccc(cc1C(=O)OCC)Br 271570a_100011290941_100000171027 [1,1,0,0,0,0|1,0,0]=3 635 B14R1.599 C=Cc1ccc(cc1C(=O)OCC)C 271570a_100011290941_200012353901 [1,1,0,0,0,0|1,0,0]=3 636 B14R1.599 C=Cc1ccc(cc1C(=O)OCC)Cl 271570a_100011290941_100011294803 [1,1,0,0,0,0|1,0,0]=3 637 B14R1.599 C=Cc1ccc(cc1C(=O)OCC)F 271570a_100011290941_100011206316 [1,1,0,0,0,0|1,0,0]=3 638 B14R1.599 C=Cc1ccc(nc1C(=O)OCC)N 271570a_100011290941_100010172133 [1,1,0,0,0,0|2,0,0]=4 639 B14R1.599 C=Cc1ccc(nc1C(=O)OCC)O 271570a_100011290941_200010189762 [1,1,0,0,0,0|2,0,0]=4 640 B14R1.599 C=Cc1ncc(cc1C(=O)OCC)C 271570a_100011290941_100009868943 [1,1,0,0,0,0|2,0,0]=4 641 B14R1.599 C=Cc1ncc(cc1C(=O)OCC)F 271570a_100011290941_100012350521 [1,1,0,0,0,0|2,0,0]=4 642 B14R1.599 C=Cc1ncc(cc1C(=O)OCC)N 271570a_100011290941_200012352213 [1,1,0,0,0,0|2,0,0]=4 643 B14R1.599 CCOC(=O)c1cc(ccc1OC)Br 7a_200000174078_200000210301 [1,1,0,0,0,0|2,0,0]=4 644 B14R1.599 CCOC(=O)c1cc(ccc1OC)C 7a_200011212139_200000210301 [1,1,0,0,0,0|2,0,0]=4 645 B14R1.599 CCOC(=O)c1cc(ccc1OC)I 7a_200000173011_200000210301 [1,1,0,0,0,0|2,0,0]=4 646 B14R1.599 CCOC(=O)c1cc(ccc1O[13CH3])Br 7a_200000174078_200025704644 [1,1,0,0,0,0|2,0,0]=4 647 B14R1.599 CCOC(=O)c1cc(ccc1O[13CH3])C 7a_200011212139_200025704644 [1,1,0,0,0,0|2,0,0]=4 648 B14R1.599 CCOC(=O)c1cc(ccc1O[13CH3])I 7a_200000173011_200025704644 [1,1,0,0,0,0|2,0,0]=4 649 B14R1.599 CCOC(=O)c1cc(ccc1SC)Br 62a_100000171027_200000210301 [1,1,0,0,0,0|2,0,0]=4 650 B14R1.599 CCOC(=O)c1cc(ccc1SC)C 62a_200000210301_200012353901 [1,1,0,0,0,0|2,0,0]=4 651 B14R1.599 CCOC(=O)c1cc(ccc1SC)C 62a_200012353901_200000210301 [1,1,0,0,0,0|2,0,0]=4 652 B14R1.599 CCOC(=O)c1cc(ccc1SC)Cl 62a_100011294803_200000210301 [1,1,0,0,0,0|2,0,0]=4 653 B14R1.599 CCOC(=O)c1cc(ccc1SC)Cl 62a_200000210301_100011294803 [1,1,0,0,0,0|2,0,0]=4 654 B14R1.599 CCOC(=O)c1cc(ccc1SC)F 62a_100011206316_200000210301 [1,1,0,0,0,0|2,0,0]=4 655 B14R1.599 CCOC(=O)c1cc(ccc1SC)F 62a_200000210301_100011206316 [1,1,0,0,0,0|2,0,0]=4 656 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])Br 62a_100000171027_200025704644 [1,1,0,0,0,0|2,0,0]=4 657 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])C 62a_200012353901_200025704644 [1,1,0,0,0,0|2,0,0]=4 658 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_200012353901 [1,1,0,0,0,0|2,0,0]=4 659 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])Cl 62a_100011294803_200025704644 [1,1,0,0,0,0|2,0,0]=4 660 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_100011294803 [1,1,0,0,0,0|2,0,0]=4 661 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])F 62a_100011206316_200025704644 [1,1,0,0,0,0|2,0,0]=4 662 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100011206316 [1,1,0,0,0,0|2,0,0]=4 663 B14R1.840 C=Cc1ccccc1C(=O)CC(C)C 1458a_100011830265_100000210624 [1,1,0,0,0,0|2,0,0]=4 664 B14R1.840 C=Cc1ccccc1C(=O)CC(C)O 1458a_100011830265_100011218427 [1,1,0,0,0,0|2,0,0]=4 665 B14R1.840 C=Cc1ccccc1C(=O)NC(C)C 1626a_100138425928_100011830265 [1,1,0,0,0,0|2,0,0]=4 666 B14R1.840 C=Cc1ccccc1C(=O)NC(C)C 271570a_100011290941_200000152627 [1,1,0,0,0,0|2,0,0]=4 667 B14R1.840 C=Cc1ccccc1C(=O)OC(C)C 271570a_100011290941_100000169877 [1,1,0,0,0,0|1,0,0]=3 668 B14R1.840 CC(C)CC(=O)c1ccccc1CO 1458a_100011301526_100000210624 [1,1,0,0,0,0|1,0,1]=4 669 B14R1.840 CC(C)CC(=O)c1ccccc1I=O 1458a_100000032414_100000210624 [1,1,0,0,0,0|2,0,0]=4 670 B14R1.840 CC(C)NC(=O)c1ccccc1I=O 1626a_100138425928_100000032414 [1,1,0,0,0,0|2,0,0]=4 671 B14R1.840 CC(C)NC(=O)c1ccccc1I=O 240690a_100138425928_100000032414 [1,1,0,0,0,0|2,0,0]=4 672 B14R1.840 CC(C)NC(=O)c1ccccc1I=O 527a_100138425928_100000032414 [1,1,0,0,0,0|2,0,0]=4 673 B14R1.840 CC(C)OC(=O)c1ccccc1O[13CH3] 34a_100000169923_200025704644 [1,1,0,0,0,0|2,0,0]=4 674 B14R1.840 CC(C)OC(=O)c1ccccc1O[13CH3] 7a_100000169923_200025704644 [1,1,0,0,0,0|2,0,0]=4 675 B14R1.840 CC(C)OC(=O)c1ccccc1S[13CH3] 62a_100000169877_200025704644 [1,1,0,0,0,0|2,0,0]=4 676 B14R1.840 CC(C)OC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000169877 [1,1,0,0,0,0|2,0,0]=4 677 B14R1.840 CC(O)CC(=O)c1ccccc1CO 1458a_100011301526_100011218427 [1,1,0,0,0,0|1,0,1]=4 678 B14R1.840 CC(O)CC(=O)c1ccccc1I=O 1458a_100000032414_100011218427 [1,1,0,0,0,0|2,0,0]=4 679 B14R1.840 COc1ccccc1C(=O)OC(C)C 34a_100000169923_200000210301 [1,1,0,0,0,0|2,0,0]=4 680 B14R1.840 COc1ccccc1C(=O)OC(C)C 7a_100000169923_200000210301 [1,1,0,0,0,0|2,0,0]=4 681 B14R1.840 CSc1ccccc1C(=O)OC(C)C 62a_100000169877_200000210301 [1,1,0,0,0,0|2,0,0]=4 682 B14R1.840 CSc1ccccc1C(=O)OC(C)C 62a_200000210301_100000169877 [1,1,0,0,0,0|2,0,0]=4 683 B14R1.939 C=Cc1ccccc1C(=O)CCCC 1458a_100011830265_100000210211 [1,1,0,0,0,0|2,0,0]=4 684 B14R1.939 C=Cc1ccccc1C(=O)CCCF 1458a_100011830265_100011934791 [1,1,0,0,0,0|2,0,0]=4 685 B14R1.939 C=Cc1ccccc1C(=O)CCCO 1458a_100011830265_100011215043 [1,1,0,0,0,0|2,0,0]=4 686 B14R1.939 C=Cc1ccccc1C(=O)CCOC 1458a_100011830265_100000233755 [1,1,0,0,0,0|2,0,0]=4 687 B14R1.939 C=Cc1ccccc1C(=O)CCSC 1458a_100011830265_100000751147 [1,1,0,0,0,0|2,0,0]=4 688 B14R1.939 C=Cc1ccccc1C(=O)NCCC 1626a_100020643023_100011830265 [1,1,0,0,0,0|2,0,0]=4 689 B14R1.939 C=Cc1ccccc1C(=O)NCCC 271570a_100011290941_200000152266 [1,1,0,0,0,0|2,0,0]=4 690 B14R1.939 C=Cc1ccccc1C(=O)NCCF 1626a_100000724931_100011830265 [1,1,0,0,0,0|2,0,0]=4 691 B14R1.939 C=Cc1ccccc1C(=O)NCCO 271570a_100011290941_200000158863 [1,1,0,0,0,0|2,0,0]=4 692 B14R1.939 C=Cc1ccccc1C(=O)NNCC 22a_100000756455_100011830265 [1,1,0,0,0,0|2,0,0]=4 693 B14R1.939 CCCCC(=O)c1ccccc1CO 1458a_100011301526_100000210211 [1,1,0,0,0,0|1,0,1]=4 694 B14R1.939 CCCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210211 [1,1,0,0,0,0|2,0,0]=4 695 B14R1.939 CCCNC(=O)c1ccccc1I=O 1626a_100020643023_100000032414 [1,1,0,0,0,0|2,0,0]=4 696 B14R1.939 CCCNC(=O)c1ccccc1I=O 240690a_100020643023_100000032414 [1,1,0,0,0,0|2,0,0]=4 697 B14R1.939 CCCNC(=O)c1ccccc1I=O 527a_100020643023_100000032414 [1,1,0,0,0,0|2,0,0]=4 698 B14R1.939 CCCOC(=O)c1ccccc1OC 7a_100000169924_200000210301 [1,1,0,0,0,0|2,0,0]=4 699 B14R1.939 CCCOC(=O)c1ccccc1O[13CH3] 7a_100000169924_200025704644 [1,1,0,0,0,0|2,0,0]=4 700 B14R1.939 CCNNC(=O)c1ccccc1I=O 22a_100000756455_100000032414 [1,1,0,0,0,0|2,0,0]=4 701 B14R1.939 CCOCC(=O)c1ccccc1OC 34a_100121572206_100000195505 [1,1,0,0,0,0|2,0,0]=4 702 B14R1.939 COCCC(=O)c1ccccc1CO 1458a_100011301526_100000233755 [1,1,0,0,0,0|1,0,1]=4 703 B14R1.939 COCCC(=O)c1ccccc1I=O 1458a_100000032414_100000233755 [1,1,0,0,0,0|2,0,0]=4 704 B14R1.939 COc1ccccc1C(=O)OCCO 7a_100000229999_200000210301 [1,1,0,0,0,0|2,0,0]=4 705 B14R1.939 CSCCC(=O)c1ccccc1CO 1458a_100011301526_100000751147 [1,1,0,0,0,0|1,0,1]=4 706 B14R1.939 CSCCC(=O)c1ccccc1I=O 1458a_100000032414_100000751147 [1,1,0,0,0,0|2,0,0]=4 707 B14R1.939 O=C(CCCF)c1ccccc1CO 1458a_100011301526_100011934791 [1,1,0,0,0,0|1,0,1]=4 708 B14R1.939 O=C(CCCO)c1ccccc1CO 1458a_100011301526_100011215043 [1,1,0,0,0,0|1,0,1]=4 709 B14R1.939 O=Ic1ccccc1C(=O)CCCF 1458a_100000032414_100011934791 [1,1,0,0,0,0|2,0,0]=4 710 B14R1.939 O=Ic1ccccc1C(=O)CCCO 1458a_100000032414_100011215043 [1,1,0,0,0,0|2,0,0]=4 711 B14R1.939 O=Ic1ccccc1C(=O)NCCF 1626a_100000724931_100000032414 [1,1,0,0,0,0|2,0,0]=4 712 B14R1.939 O=Ic1ccccc1C(=O)NCCF 240690a_100000724931_100000032414 [1,1,0,0,0,0|2,0,0]=4 713 B14R1.939 O=Ic1ccccc1C(=O)NCCF 527a_100000724931_100000032414 [1,1,0,0,0,0|2,0,0]=4 714 B14R1.939 O=Ic1ccccc1C(=O)NCCO 240690a_100000210304_100000032414 [1,1,0,0,0,0|2,0,0]=4 715 B14R1.939 O=Ic1ccccc1C(=O)NCCO 527a_100000210304_100000032414 [1,1,0,0,0,0|2,0,0]=4 716 B14R1.939 [13CH3]Oc1ccccc1C(=O)OCCO 7a_100000229999_200025704644 [1,1,0,0,0,0|2,0,0]=4 717 B14R1.7233 C=Cc1cc(ccc1C(=O)NCC)F 271570a_100011290941_100000203945 [1,1,0,0,0,0|2,0,0]=4 718 B14R1.7233 C=Cc1cc(ccc1C(=O)OCC)C 271570a_100011290941_200012185120 [1,1,0,0,0,0|1,0,0]=3 719 B14R1.7233 C=Cc1cc(ccc1C(=O)OCC)Cl 271570a_100011290941_100000047509 [1,1,0,0,0,0|1,0,0]=3 720 B14R1.7233 C=Cc1cc(ccc1C(=O)OCC)F 271570a_100011290941_100011206307 [1,1,0,0,0,0|1,0,0]=3 721 B14R1.7233 CCCC(=O)c1ccc(cc1CO)Br 1458a_100010253900_100000210303 [1,1,0,0,0,0|1,0,1]=4 722 B14R1.7233 CCCC(=O)c1ccc(cc1CO)F 1458a_100013035055_100000210303 [1,1,0,0,0,0|1,0,1]=4 723 B14R1.7233 CCNC(=O)c1ccc(cc1CO)F 240690a_100015525214_100013035055 [1,1,0,0,0,0|1,0,1]=4 724 B14R1.7233 CCOC(=O)c1ccc(cc1NC)F 27a_100102657272_100011206307 [1,1,0,0,0,0|2,0,0]=4 725 B14R1.7233 CCOC(=O)c1ccc(cc1OC)C 7a_200000170860_200000210301 [1,1,0,0,0,0|2,0,0]=4 726 B14R1.7233 CCOC(=O)c1ccc(cc1OC)F 7a_100011997398_200000210301 [1,1,0,0,0,0|2,0,0]=4 727 B14R1.7233 CCOC(=O)c1ccc(cc1O[13CH3])C 7a_200000170860_200025704644 [1,1,0,0,0,0|2,0,0]=4 728 B14R1.7233 CCOC(=O)c1ccc(cc1O[13CH3])F 7a_100011997398_200025704644 [1,1,0,0,0,0|2,0,0]=4 729 B14R1.7233 CCOC(=O)c1ccc(cc1SC)C 62a_200000210301_200012185120 [1,1,0,0,0,0|2,0,0]=4 730 B14R1.7233 CCOC(=O)c1ccc(cc1SC)C 62a_200012350802_200000210301 [1,1,0,0,0,0|2,0,0]=4 731 B14R1.7233 CCOC(=O)c1ccc(cc1SC)Cl 62a_100000047509_200000210301 [1,1,0,0,0,0|2,0,0]=4 732 B14R1.7233 CCOC(=O)c1ccc(cc1SC)Cl 62a_200000210301_100000047509 [1,1,0,0,0,0|2,0,0]=4 733 B14R1.7233 CCOC(=O)c1ccc(cc1SC)F 62a_100011206307_200000210301 [1,1,0,0,0,0|2,0,0]=4 734 B14R1.7233 CCOC(=O)c1ccc(cc1SC)F 62a_200000210301_100011206307 [1,1,0,0,0,0|2,0,0]=4 735 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])C 62a_200012350802_200025704644 [1,1,0,0,0,0|2,0,0]=4 736 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_200012185120 [1,1,0,0,0,0|2,0,0]=4 737 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])Cl 62a_100000047509_200025704644 [1,1,0,0,0,0|2,0,0]=4 738 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])Cl 62a_200025704644_100000047509 [1,1,0,0,0,0|2,0,0]=4 739 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])F 62a_100011206307_200025704644 [1,1,0,0,0,0|2,0,0]=4 740 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_100011206307 [1,1,0,0,0,0|2,0,0]=4 741 B14R1.7255 C=Cc1c(cccc1C(=O)OCC)C 271570a_100011290941_200012184857 [1,1,0,0,0,0|1,0,0]=3 742 B14R1.7255 C=Cc1c(cccc1C(=O)OCC)F 271570a_100011290941_100012357632 [1,1,0,0,0,0|1,0,0]=3 743 B14R1.7255 CCOC(=O)c1cccc(c1SC)C 62a_200000210301_200012353711 [1,1,0,0,0,0|2,0,0]=4 744 B14R1.7255 CCOC(=O)c1cccc(c1SC)C 62a_200012353711_200000210301 [1,1,0,0,0,0|2,0,0]=4 745 B14R1.7255 CCOC(=O)c1cccc(c1SC)F 62a_100012357632_200000210301 [1,1,0,0,0,0|2,0,0]=4 746 B14R1.7255 CCOC(=O)c1cccc(c1SC)F 62a_200000210301_100012357632 [1,1,0,0,0,0|2,0,0]=4 747 B14R1.7255 CCOC(=O)c1cccc(c1S[13CH3])C 62a_200012353711_200025704644 [1,1,0,0,0,0|2,0,0]=4 748 B14R1.7255 CCOC(=O)c1cccc(c1S[13CH3])C 62a_200025704644_200012353711 [1,1,0,0,0,0|2,0,0]=4 749 B14R1.7255 CCOC(=O)c1cccc(c1S[13CH3])F 62a_100012357632_200025704644 [1,1,0,0,0,0|2,0,0]=4 750 B14R1.7255 CCOC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012357632 [1,1,0,0,0,0|2,0,0]=4 751 B14R1.7276 C=Cc1cccc(c1C(=O)OCC)F 271570a_100011290941_100012357633 [1,1,0,0,0,0|1,0,0]=3 752 B14R1.7276 C=Cc1nccc(c1C(=O)OCC)C 271570a_100011290941_100010068243 [1,1,0,0,0,0|2,0,0]=4 753 B14R1.7276 CCOC(=O)c1c(cccc1NC)F 27a_100102657272_100012357633 [1,1,0,0,0,0|2,0,0]=4 754 B14R1.7276 CCOC(=O)c1c(cccc1OC)C 7a_100000034863_200000210301 [1,1,0,0,0,0|2,0,0]=4 755 B14R1.7276 CCOC(=O)c1c(cccc1OC)Cl 7a_200000055446_200000210301 [1,1,0,0,0,0|2,0,0]=4 756 B14R1.7276 CCOC(=O)c1c(cccc1OC)F 7a_100011997393_200000210301 [1,1,0,0,0,0|2,0,0]=4 757 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])C 7a_100000034863_200025704644 [1,1,0,0,0,0|2,0,0]=4 758 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])Cl 7a_200000055446_200025704644 [1,1,0,0,0,0|2,0,0]=4 759 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])F 7a_100011997393_200025704644 [1,1,0,0,0,0|2,0,0]=4 760 B14R1.7276 CCOC(=O)c1c(cccc1SC)F 62a_100012357633_200000210301 [1,1,0,0,0,0|2,0,0]=4 761 B14R1.7276 CCOC(=O)c1c(cccc1SC)F 62a_200000210301_200000170032 [1,1,0,0,0,0|2,0,0]=4 762 B14R1.7276 CCOC(=O)c1c(cccc1S[13CH3])F 62a_100012357633_200025704644 [1,1,0,0,0,0|2,0,0]=4 763 B14R1.7276 CCOC(=O)c1c(cccc1S[13CH3])F 62a_200025704644_200000170032 [1,1,0,0,0,0|2,0,0]=4 764 B14R1.317 CCS(=O)(=O)c1ccccc1C(=O)C 1458a_100000199001_200000210301 [1,1,0,0,0,0|2,0,0]=4 765 B14R1.317 CCS(=O)(=O)c1ccccc1C(=O)[13CH3] 1458a_100000199001_200025704644 [1,1,0,0,0,0|2,0,0]=4 766 B14R1.429 CC(=O)c1ccccc1C(=O)N(C)C 1458a_200000753992_200000210301 [1,1,0,0,0,0|2,0,0]=4 767 B14R1.429 CC(C)C(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210206 [1,1,0,0,0,0|1,0,1]=4 768 B14R1.429 CC(C)C(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210206 [1,1,0,0,0,0|2,0,0]=4 769 B14R1.429 CC(C)C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210206 [1,1,0,0,0,0|1,0,1]=4 770 B14R1.429 CN(C)C(=O)c1ccccc1C(=O)[13CH3] 1458a_200000753992_200025704644 [1,1,0,0,0,0|2,0,0]=4 771 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Br 271570a_100000694244_100000148213 [1,1,0,0,0,0|2,0,0]=4 772 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)C 271570a_100000694244_100012339458 [1,1,0,0,0,0|2,0,0]=4 773 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Cl 271570a_100000694244_100011294804 [1,1,0,0,0,0|2,0,0]=4 774 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)F 271570a_100000694244_100000205820 [1,1,0,0,0,0|2,0,0]=4 775 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)N 271570a_100000694244_100000696289 [1,1,0,0,0,0|2,0,0]=4 776 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)O 271570a_100000694244_100010230369 [1,1,0,0,0,0|2,0,0]=4 777 B14R1.707 CCC(=O)c1cc(ccc1[N+](=O)[O-])Br 1458a_100009992657_100000210202 [1,1,0,0,0,0|1,0,1]=4 778 B14R1.707 CCC(=O)c1cc(ccc1[N+](=O)[O-])C 1458a_100000763269_100000210202 [1,1,0,0,0,0|1,0,1]=4 779 B14R1.707 CCC(=O)c1cc(ccc1[N+](=O)[O-])Cl 1458a_100000210914_100000210202 [1,1,0,0,0,0|1,0,1]=4 780 B14R1.707 CCC(=O)c1cc(ccc1[N+](=O)[O-])I 1458a_100010186413_100000210202 [1,1,0,0,0,0|1,0,1]=4 781 B14R1.707 CCC(=O)c1cc(ccc1[N+](=O)[O-])O 1458a_100000692585_100000210202 [1,1,0,0,0,0|1,0,1]=4 782 B14R1.745 CCC(=O)c1ccccc1S(=O)(=O)C 1458a_100000185186_100000210202 [1,1,0,0,0,0|1,0,1]=4 783 B14R1.745 CCC(=O)c1ccccc1S(=O)(=O)N 1458a_100015187736_100000210202 [1,1,0,0,0,0|1,0,1]=4 784 B14R1.746 CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210202 [1,1,0,0,0,0|0,0,0]=2 785 B14R1.746 CCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000204670 [1,1,0,0,0,0|2,0,0]=4 786 B14R1.746 CCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000210202 [1,1,0,0,0,0|2,0,0]=4 787 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 1626a_100102657272_100011215673 [1,1,0,0,0,0|1,0,0]=3 788 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 240690a_100102657272_100011215673 [1,1,0,0,0,0|1,0,0]=3 789 B14R1.746 COC(=O)c1ccccc1C(=O)CF 1458a_100011215673_100015361967 [1,1,0,0,0,0|1,0,0]=3 790 B14R1.1126 C=C(C)c1cc(ccc1C(=O)CC)C 271570a_100000694244_200012349623 [1,1,0,0,0,0|2,0,0]=4 791 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Br 271570a_100000694244_100000701758 [1,1,0,0,0,0|2,0,0]=4 792 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)C 271570a_100000694244_100012340597 [1,1,0,0,0,0|2,0,0]=4 793 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Cl 271570a_100000694244_100000047510 [1,1,0,0,0,0|2,0,0]=4 794 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)F 271570a_100000694244_100000204356 [1,1,0,0,0,0|2,0,0]=4 795 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)N 271570a_100000694244_100009998378 [1,1,0,0,0,0|2,0,0]=4 796 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)O 271570a_100000694244_100010150825 [1,1,0,0,0,0|2,0,0]=4 797 B14R1.1126 CCC(=O)c1ccc(cc1[N+](=O)[O-])Br 1458a_100000767047_100000210202 [1,1,0,0,0,0|1,0,1]=4 798 B14R1.1126 CCC(=O)c1ccc(cc1[N+](=O)[O-])C 1458a_100011827699_100000210202 [1,1,0,0,0,0|1,0,1]=4 799 B14R1.1126 CCC(=O)c1ccc(cc1[N+](=O)[O-])Cl 1458a_100000210460_100000210202 [1,1,0,0,0,0|1,0,1]=4 800 B14R1.1126 CCC(=O)c1ccc(cc1[N+](=O)[O-])F 1458a_100000686224_100000210202 [1,1,0,0,0,0|1,0,1]=4 801 B14R1.1126 CCC(=O)c1ccc(cc1[N+](=O)[O-])I 1458a_100000718686_100000210202 [1,1,0,0,0,0|1,0,1]=4 802 B14R1.1126 CCC(=O)c1ccc(cc1[N+](=O)[O-])O 1458a_100000701580_100000210202 [1,1,0,0,0,0|1,0,1]=4 803 B14R1.1126 CCN(C)c1ccc(cc1C(=O)O)C 269956a_100000216468_200000210301 [1,1,0,0,0,0|2,0,0]=4 804 B14R1.1126 CCN([13CH3])c1ccc(cc1C(=O)O)C 269956a_100000216468_200025704644 [1,1,0,0,0,0|2,0,0]=4 805 B14R1.1126 COC(=O)c1ccc(cc1B(O)O)O 271570a_203496583355_100000070578 [1,1,0,0,0,0|1,0,1]=4 806 B14R1.1126 COC(=O)c1ccc(cc1C(=O)C)F 1458a_200010710419_200000210301 [1,1,0,0,0,0|1,0,0]=3 807 B14R1.1126 COC(=O)c1ccc(cc1C(=O)[13CH3])F 1458a_200010710419_200025704644 [1,1,0,0,0,0|1,0,0]=3 808 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)Br 271570a_100000694244_100010150843 [1,1,0,0,0,0|2,0,0]=4 809 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)C 271570a_100000694244_100012002529 [1,1,0,0,0,0|2,0,0]=4 810 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)F 271570a_100000694244_100012357630 [1,1,0,0,0,0|2,0,0]=4 811 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)N 271570a_100000694244_100000719424 [1,1,0,0,0,0|2,0,0]=4 812 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)O 271570a_100000694244_200010230364 [1,1,0,0,0,0|2,0,0]=4 813 B14R1.1153 CCC(=O)c1cccc(c1[N+](=O)[O-])Br 1458a_100010232116_100000210202 [1,1,0,0,0,0|1,0,1]=4 814 B14R1.1153 CCC(=O)c1cccc(c1[N+](=O)[O-])C 1458a_100000211462_100000210202 [1,1,0,0,0,0|1,0,1]=4 815 B14R1.1153 CCC(=O)c1cccc(c1[N+](=O)[O-])Cl 1458a_100000766603_100000210202 [1,1,0,0,0,0|1,0,1]=4 816 B14R1.1153 CCC(=O)c1cccc(c1[N+](=O)[O-])F 1458a_100000068878_100000210202 [1,1,0,0,0,0|1,0,1]=4 817 B14R1.1153 CCC(=O)c1cccc(c1[N+](=O)[O-])O 1458a_100000688640_100000210202 [1,1,0,0,0,0|1,0,1]=4 818 B14R1.1153 COC(=O)c1cccc(c1C(=O)C)Br 1458a_100010710481_200000210301 [1,1,0,0,0,0|1,0,0]=3 819 B14R1.1153 COC(=O)c1cccc(c1C(=O)[13CH3])Br 1458a_100010710481_200025704644 [1,1,0,0,0,0|1,0,0]=3 820 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Br 271570a_100000694244_100010247157 [1,1,0,0,0,0|2,0,0]=4 821 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)C 271570a_100000694244_100010204206 [1,1,0,0,0,0|2,0,0]=4 822 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Cl 271570a_100000694244_100010150959 [1,1,0,0,0,0|2,0,0]=4 823 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)F 271570a_100000694244_100000150693 [1,1,0,0,0,0|2,0,0]=4 824 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)N 271570a_100000694244_100010253892 [1,1,0,0,0,0|2,0,0]=4 825 B14R1.1164 CCC(=O)c1c(cccc1[N+](=O)[O-])Br 1458a_100000690006_100000210202 [1,1,0,0,0,0|1,0,1]=4 826 B14R1.1164 CCC(=O)c1c(cccc1[N+](=O)[O-])C 1458a_100000234352_100000210202 [1,1,0,0,0,0|1,0,1]=4 827 B14R1.1164 CCC(=O)c1c(cccc1[N+](=O)[O-])Cl 1458a_100000752432_100000210202 [1,1,0,0,0,0|1,0,1]=4 828 B14R1.1164 CCC(=O)c1c(cccc1[N+](=O)[O-])F 1458a_100011219868_100000210202 [1,1,0,0,0,0|1,0,1]=4 829 B14R1.1164 CCC(=O)c1c(cccc1[N+](=O)[O-])O 1458a_100012186653_100000210202 [1,1,0,0,0,0|1,0,1]=4 830 B14R1.67 CCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210303 [1,1,0,0,0,0|2,0,0]=4 831 B14R1.789 CCCCc1ccccc1C(=O)OC 271570a_100020621405_100000148710 [1,1,0,0,0,0|1,0,1]=4 832 B14R1.789 CCCOc1ccccc1C(=O)NO 34a_100000188472_100000210303 [1,1,0,0,0,0|2,0,0]=4 833 B14R1.789 CCCOc1ccccc1C(=O)OC 7a_100000150335_100000210303 [1,1,0,0,0,0|2,0,0]=4 834 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000148710_100000210303 [1,1,0,0,0,0|2,0,0]=4 835 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000210303_100000148710 [1,1,0,0,0,0|2,0,0]=4 836 B14R1.789 CCCSc1ccccc1C(=O)O[Na] 62a_100000210303_114855342371 [1,1,0,0,0,0|2,0,0]=4 837 B14R1.789 CCNCc1ccccc1C(=O)OC 2230a_100015525214_100000744672 [1,1,0,0,0,0|1,0,1]=4 838 B14R1.789 CCOCc1ccccc1C(=O)NC 34a_100009855793_100000210202 [1,1,0,0,0,0|1,0,1]=4 839 B14R1.789 CCOCc1ccccc1C(=O)NC 7a_100009855793_100000210202 [1,1,0,0,0,0|1,0,1]=4 840 B14R1.789 CCOCc1ccccc1C(=O)OC 34a_100121572206_100000744672 [1,1,0,0,0,0|0,0,1]=3 841 B14R1.789 CCOCc1cccnc1C(=O)OC 34a_100121572206_100010177730 [1,1,0,0,0,0|1,0,1]=4 842 B14R1.789 CCOCc1ncccc1C(=O)OC 34a_100121572206_100012347567 [1,1,0,0,0,0|1,0,1]=4 843 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000210202_100000744672 [1,1,0,0,0,0|0,1,1]=4 844 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000744672_100000210202 [1,1,0,0,0,0|0,1,1]=4 845 B14R1.903 CCCC=Cc1ccccc1C(=O)C 271570a_100016258520_100000751169 [1,1,0,0,0,0|2,0,0]=4 846 B14R1.903 CCCC=Cc1ccccc1C(=O)N 271570a_100016258520_100000162227 [1,1,0,0,0,0|2,0,0]=4 847 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_100000210211_100000734275 [1,1,0,0,0,0|1,0,1]=4 848 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_202125556159_100000210210 [1,1,0,0,0,0|1,0,1]=4 849 B14R1.903 CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210207 [1,1,0,0,0,0|1,0,1]=4 850 B14R1.903 CCOC=Cc1ccccc1B(O)O 271570a_100016256518_100000693059 [1,1,0,0,0,0|1,0,1]=4 851 B14R1.903 CCOC=Cc1ccccc1C(=O)C 271570a_100016256518_100000751169 [1,1,0,0,0,0|1,0,0]=3 852 B14R1.903 CCOC=Cc1ccccc1C(=O)N 271570a_100016256518_100000162227 [1,1,0,0,0,0|1,0,0]=3 853 B14R1.903 CCOC=Cc1ccccc1C(C)O 271570a_100016256518_100000702211 [1,1,0,0,0,0|1,0,1]=4 854 B14R1.903 CCOC=Cc1ccccc1S(=O)C 271570a_100016256518_100000734199 [1,1,0,0,0,0|2,0,0]=4 855 B14R1.903 CCOC=Cc1cccnc1C(=O)C 271570a_100016256518_100012348690 [1,1,0,0,0,0|2,0,0]=4 856 B14R1.903 CCOC=Cc1cccnc1C(=O)N 271570a_100016256518_200012359670 [1,1,0,0,0,0|2,0,0]=4 857 B14R1.903 CCOC=Cc1ccncc1C(=O)C 271570a_100016256518_100160469449 [1,1,0,0,0,0|2,0,0]=4 858 B14R1.903 CCOC=Cc1ccncc1C(=O)N 271570a_100016256518_100000697804 [1,1,0,0,0,0|2,0,0]=4 859 B14R1.903 CCOC=Cc1cnccc1C(=O)C 271570a_100016256518_100009993184 [1,1,0,0,0,0|2,0,0]=4 860 B14R1.903 CCOC=Cc1cnccc1C(=O)N 271570a_100016256518_100010205435 [1,1,0,0,0,0|2,0,0]=4 861 B14R1.903 CCOC=Cc1ncccc1C(=O)C 271570a_100016256518_100000753718 [1,1,0,0,0,0|2,0,0]=4 862 B14R1.903 CCOC=Cc1ncccc1C(=O)N 271570a_100016256518_100000162199 [1,1,0,0,0,0|2,0,0]=4 863 B14R1.903 CCOCSc1ccccc1C(=O)C 62a_100000751169_100000739092 [1,1,0,0,0,0|1,0,1]=4 864 B14R1.903 CCOCSc1ccccc1C(=O)N 62a_100000162227_100000739092 [1,1,0,0,0,0|1,0,1]=4 865 B14R1.903 CCOCSc1ccccc1C(=O)N 62a_100000739092_100000162227 [1,1,0,0,0,0|1,0,1]=4 866 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_100000739092_100000734275 [1,1,0,0,0,0|0,0,1]=3 867 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_202125556159_100000739092 [1,1,0,0,0,0|0,0,1]=3 868 B14R1.903 COCC=Cc1ccccc1C(=O)C 271570a_100016286323_100000751169 [1,1,0,0,0,0|2,0,0]=4 869 B14R1.903 COCC=Cc1ccccc1C(=O)N 271570a_100016286323_100000162227 [1,1,0,0,0,0|2,0,0]=4 870 B14R1.903 COCCSc1ccccc1C(=O)O 62a_100000233755_100000734275 [1,1,0,0,0,0|2,0,0]=4 871 B14R1.903 COCCSc1ccccc1C(=O)O 62a_202125556159_100000233755 [1,1,0,0,0,0|2,0,0]=4 872 B14R1.903 COCNCc1ccccc1C(=O)O 269956a_100015183376_100000766300 [1,1,0,0,0,0|1,0,1]=4 873 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_100000212216_100000734275 [1,1,0,0,0,0|2,0,0]=4 874 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_202125556159_100000751147 [1,1,0,0,0,0|2,0,0]=4 875 B14R1.903 CSCNCc1ccccc1C(=O)O 269956a_100015183376_100011218213 [1,1,0,0,0,0|1,0,1]=4 876 B14R1.903 O=C(O)c1ccccc1CNCCF 269956a_100015183376_100011217306 [1,1,0,0,0,0|1,0,1]=4 877 B14R1.903 O=C(O)c1ccccc1CNCCO 269956a_100015183376_100000211926 [1,1,0,0,0,0|1,0,1]=4 878 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_100011934791_100000734275 [1,1,0,0,0,0|2,0,0]=4 879 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_202125556159_100011934791 [1,1,0,0,0,0|2,0,0]=4 880 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_100011215043_100000734275 [1,1,0,0,0,0|2,0,0]=4 881 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_202125556159_100011215043 [1,1,0,0,0,0|2,0,0]=4 882 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_100000758301_100000734275 [1,1,0,0,0,0|2,0,0]=4 883 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000758301 [1,1,0,0,0,0|2,0,0]=4 884 B14R1.4522 CC(=O)c1ccccc1C=CC(C)C 271570a_100016257149_100000751169 [1,1,0,0,0,0|2,0,0]=4 885 B14R1.4522 CC(=O)c1ccccc1C=CC(C)O 271570a_200011019289_100000751169 [1,1,0,0,0,0|2,0,0]=4 886 B14R1.4522 CC(C)C=Cc1ccccc1C(=O)N 271570a_100016257149_100000162227 [1,1,0,0,0,0|2,0,0]=4 887 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_100000210624_100000734275 [1,1,0,0,0,0|2,0,0]=4 888 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_202125556159_100000210760 [1,1,0,0,0,0|2,0,0]=4 889 B14R1.4522 CC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100000210206 [1,1,0,0,0,0|1,0,1]=4 890 B14R1.4522 CC(O)C=Cc1ccccc1C(=O)N 271570a_200011019289_100000162227 [1,1,0,0,0,0|2,0,0]=4 891 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_100011218427_100000734275 [1,1,0,0,0,0|2,0,0]=4 892 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_202125556159_100011218427 [1,1,0,0,0,0|2,0,0]=4 893 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_100009817552_100000734275 [1,1,0,0,0,0|2,0,0]=4 894 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_202125556159_100009817552 [1,1,0,0,0,0|2,0,0]=4 895 B16R1.884 CCCC(=O)c1cc(ccc1NC(=O)C)Br 1458a_100000195241_100000210303 [0,1,0,0,0,1|2,0,0]=4 896 B16R1.884 CCCC(=O)c1cc(ccc1NC(=O)C)F 1458a_100011219192_100000210303 [0,1,0,0,0,1|2,0,0]=4 897 B16R1.884 CCNC(=O)c1cc(ccc1NC(=O)C)Br 240690a_100015525214_100000195241 [0,1,0,0,0,1|2,0,0]=4 898 B16R1.884 CCNC(=O)c1cc(ccc1NC(=O)C)F 240690a_100015525214_100011219192 [0,1,0,0,0,1|2,0,0]=4 899 B16R1.884 CCNC(=O)c1cc(ccc1OC(=O)C)Br 240690a_100015525214_200009996594 [0,1,0,0,0,1|2,0,0]=4 900 B16R1.884 CCNC(=O)c1cc(ccc1OC(=O)C)C 240690a_100015525214_100000047319 [0,1,0,0,0,1|2,0,0]=4 901 B16R1.884 CCNC(=O)c1cc(ccc1OC(=O)C)Cl 240690a_100015525214_100000058116 [0,1,0,0,0,1|2,0,0]=4 902 B16R1.884 CCOC(=O)c1cc(ccc1C=C(C)C)Br 271570a_100102525489_100000171027 [0,1,0,0,0,1|2,0,0]=4 903 B16R1.884 CCOC(=O)c1cc(ccc1C=C(C)C)C 271570a_100102525489_200012353901 [0,1,0,0,0,1|2,0,0]=4 904 B16R1.884 CCOC(=O)c1cc(ccc1C=C(C)C)Cl 271570a_100102525489_100011294803 [0,1,0,0,0,1|2,0,0]=4 905 B16R1.884 CCOC(=O)c1cc(ccc1C=C(C)C)F 271570a_100102525489_100011206316 [0,1,0,0,0,1|2,0,0]=4 906 B16R1.884 CCOC(=O)c1cc(cnc1CC(=O)C)C 1458a_100000070787_200010135773 [0,1,0,0,0,1|2,0,0]=4 907 B16R1.958 CCCC(=O)c1ccccc1N(C)C(=O)C 1458a_100000242783_100000210303 [0,1,0,0,0,1|2,0,0]=4 908 B16R1.958 CCNC(=O)c1ccccc1N(C)C(=O)C 240690a_100015525214_100000242783 [0,1,0,0,0,1|2,0,0]=4 909 B16R1.958 CCOC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000169879 [0,1,0,0,0,1|2,0,0]=4 910 B16R1.958 CCOC(=O)c1ccccc1N(C)C(=O)C 11a_100160572725_100015343762 [0,1,0,0,0,1|1,0,0]=3 911 B16R1.958 CCOC(=O)c1ccccc1N(C)C(=O)C 1626a_100160572725_100015343762 [0,1,0,0,0,1|1,0,0]=3 912 B16R1.960 C#CC(=O)Cc1ccccc1C(=O)OCC 1458a_100000211873_100009816840 [0,1,0,0,0,1|1,0,0]=3 913 B16R1.960 C=CC(=O)Cc1ccccc1C(=O)OCC 1458a_100000185746_100009816840 [0,1,0,0,0,1|1,0,0]=3 914 B16R1.960 C=CC(=O)Nc1ccccc1C(=O)NCC 1626a_100000205978_100000185746 [0,1,0,0,0,1|2,0,0]=4 915 B16R1.960 C=CC(=O)Nc1ccccc1C(=O)NCC 22a_100000205978_100000185746 [0,1,0,0,0,1|2,0,0]=4 916 B16R1.960 CCCC(=O)c1ccccc1CC(=O)OC 1458a_100000726341_100000210303 [0,1,0,0,0,1|1,0,0]=3 917 B16R1.960 CCCC(=O)c1ccccc1NC(=O)CC 1458a_100000194446_100000210303 [0,1,0,0,0,1|2,0,0]=4 918 B16R1.960 CCNC(=O)c1ccccc1CC(=O)OC 240690a_100015525214_100000726341 [0,1,0,0,0,1|1,0,0]=3 919 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 11a_100000205978_100000210414 [0,1,0,0,0,1|2,0,0]=4 920 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 1626a_100000205978_100000210414 [0,1,0,0,0,1|2,0,0]=4 921 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 22a_100000205978_100000210414 [0,1,0,0,0,1|2,0,0]=4 922 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 240690a_100015525214_100000194446 [0,1,0,0,0,1|2,0,0]=4 923 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 527a_100015525214_100000194446 [0,1,0,0,0,1|2,0,0]=4 924 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CO 22a_100000205978_100000210174 [0,1,0,0,0,1|1,0,0]=3 925 B16R1.960 CCNC(=O)c1ccccc1NC(=O)NC 2430a_100000205978_100102657272 [0,1,0,0,0,1|2,0,0]=4 926 B16R1.960 CCOC(=O)c1ccccc1CC(=O)CC 1458a_100000210414_100009816840 [0,1,0,0,0,1|1,0,0]=3 927 B16R1.960 CCOC(=O)c1ccccc1CC(=O)CO 1458a_100000210174_100009816840 [0,1,0,0,0,1|0,0,0]=2 928 B16R1.960 CCOC(=O)c1ccccc1OC(C)CO 7a_100000169922_100012180447 [0,1,0,0,0,1|1,0,1]=4 929 B16R1.960 CCOC(=O)c1ccccc1SC(C)CO 62a_100012180447_100000169879 [0,1,0,0,0,1|1,0,1]=4 930 B16R1.960 CCOC(=O)c1ccccc1SC(C)OC 62a_100000169876_100009879195 [0,1,0,0,0,1|1,0,1]=4 931 B16R1.960 CCOC(=O)c1ccccc1SC(C)OC 62a_100009879195_100000169879 [0,1,0,0,0,1|1,0,1]=4 932 B16R1.960 CCOC(=O)c1ccccc1S[C@H](C)CO 62a_100000169876_100016084084 [0,1,0,0,0,1|1,0,1]=4 933 B16R1.960 CCOC(=O)c1ccccc1S[C@H](C)CO 62a_100016084084_100000169879 [0,1,0,0,0,1|1,0,1]=4 934 B16R1.960 CNNC(=O)c1ccccc1CC(=O)OC 22a_100016993582_100000726341 [0,1,0,0,0,1|2,0,0]=4 935 B16R1.960 COC(=O)Cc1ccccc1C(=O)CCF 1458a_100000726341_100011217306 [0,1,0,0,0,1|2,0,0]=4 936 B16R1.960 COC(=O)Cc1ccccc1C(=O)CCO 1458a_100000726341_100000211926 [0,1,0,0,0,1|2,0,0]=4 937 B16R1.960 CONC(=O)c1ccccc1NC(=O)CO 22a_100011599994_100000210174 [0,1,0,0,0,1|2,0,0]=4 938 B16R1.1498 CC(=O)Oc1ccccc1C(=O)NCCF 240690a_100000724931_100000210466 [0,1,0,0,0,1|2,0,0]=4 939 B16R1.1498 CC(=O)Oc1ccccc1C(=O)NCCO 240690a_100000210304_100000210466 [0,1,0,0,0,1|2,0,0]=4 940 B16R1.1498 CCCNC(=O)c1ccccc1NC(=O)C 11a_100000181257_100015343762 [0,1,0,0,0,1|2,0,0]=4 941 B16R1.1498 CCCNC(=O)c1ccccc1NC(=O)C 1626a_100000181257_100015343762 [0,1,0,0,0,1|2,0,0]=4 942 B16R1.1498 CCCNC(=O)c1ccccc1NC(=O)C 22a_100000181257_100000070787 [0,1,0,0,0,1|2,0,0]=4 943 B16R1.1498 CCCNC(=O)c1ccccc1OC(=O)C 240690a_100020643023_100000210466 [0,1,0,0,0,1|2,0,0]=4 944 B16R1.1661 CCN(C)C(=O)c1ccccc1OC(=O)C 240690a_100000225621_100000210466 [0,1,0,0,0,1|2,0,0]=4 945 B16R1.12517 CC(=Cc1ccccc1C(=O)OC(C)C)C 271570a_100102525489_100000169877 [0,1,0,0,0,1|2,0,0]=4 946 B16R1.12517 CC(=O)Nc1ccccc1C(=O)NC(C)C 11a_100000180276_100015343762 [0,1,0,0,0,1|2,0,0]=4 947 B16R1.12517 CC(=O)Nc1ccccc1C(=O)NC(C)C 1626a_100000180276_100015343762 [0,1,0,0,0,1|2,0,0]=4 948 B16R1.12517 CC(=O)Nc1ccccc1C(=O)NC(C)C 22a_100000180276_100000070787 [0,1,0,0,0,1|2,0,0]=4 949 B16R1.12517 CC(=O)Oc1ccccc1C(=O)NC(C)C 240690a_100138425928_100000210466 [0,1,0,0,0,1|2,0,0]=4 950 B16R1.15367 CCCC(=O)c1ccc(cc1NC(=O)C)Br 1458a_100000747254_100000210303 [0,1,0,0,0,1|2,0,0]=4 951 B16R1.15367 CCCC(=O)c1ccc(cc1NC(=O)C)Cl 1458a_100000195377_100000210303 [0,1,0,0,0,1|2,0,0]=4 952 B16R1.15367 CCCC(=O)c1ccc(cc1NC(=O)C)F 1458a_100000222213_100000210303 [0,1,0,0,0,1|2,0,0]=4 953 B16R1.15367 CCNC(=O)c1ccc(cc1NC(=O)C)Br 240690a_100015525214_100000747254 [0,1,0,0,0,1|2,0,0]=4 954 B16R1.15367 CCNC(=O)c1ccc(cc1NC(=O)C)Cl 240690a_100015525214_100000195377 [0,1,0,0,0,1|2,0,0]=4 955 B16R1.15367 CCNC(=O)c1ccc(cc1NC(=O)C)F 240690a_100015525214_100000222213 [0,1,0,0,0,1|2,0,0]=4 956 B16R1.15367 CCOC(=O)c1ccc(cc1C=C(C)C)C 271570a_100102525489_200012185120 [0,1,0,0,0,1|2,0,0]=4 957 B16R1.15367 CCOC(=O)c1ccc(cc1C=C(C)C)Cl 271570a_100102525489_100000047509 [0,1,0,0,0,1|2,0,0]=4 958 B16R1.15367 CCOC(=O)c1ccc(cc1C=C(C)C)F 271570a_100102525489_100011206307 [0,1,0,0,0,1|2,0,0]=4 959 B16R1.15455 CCCC(=O)c1c(cccc1NC(=O)C)Cl 1458a_200011219801_100000210303 [0,1,0,0,0,1|2,0,0]=4 960 B16R1.15455 CCCC(=O)c1c(cccc1NC(=O)C)F 1458a_100000756107_100000210303 [0,1,0,0,0,1|2,0,0]=4 961 B16R1.15455 CCNC(=O)c1c(cccc1NC(=O)C)Cl 240690a_100015525214_200011219801 [0,1,0,0,0,1|2,0,0]=4 962 B16R1.15455 CCNC(=O)c1c(cccc1NC(=O)C)F 240690a_100015525214_100000756107 [0,1,0,0,0,1|2,0,0]=4 963 B16R1.15455 CCOC(=O)c1c(cccc1C=C(C)C)F 271570a_100102525489_100012357633 [0,1,0,0,0,1|2,0,0]=4 964 B16R1.15455 CCOC(=O)c1c(cccc1NC(=O)C)Cl 188690a_100011899081_100015343762 [0,1,0,0,0,1|1,0,0]=3 965 B16R1.69043 CCOC(=O)c1cccc(c1C=C(C)C)C 271570a_100102525489_200012184857 [0,1,0,0,0,1|2,0,0]=4 966 B16R1.69043 CCOC(=O)c1cccc(c1C=C(C)C)F 271570a_100102525489_100012357632 [0,1,0,0,0,1|2,0,0]=4 967 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)Br 1626a_100012349972_100000211992 [0,1,0,0,0,1|2,0,0]=4 968 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)C 11a_100011219537_100000211992 [0,1,0,0,0,1|2,0,0]=4 969 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)C 1626a_100011219537_100000211992 [0,1,0,0,0,1|2,0,0]=4 970 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)C 22a_100011219537_100000211992 [0,1,0,0,0,1|2,0,0]=4 971 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)Cl 11a_100000738103_100000211992 [0,1,0,0,0,1|2,0,0]=4 972 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)Cl 1626a_100000738103_100000211992 [0,1,0,0,0,1|2,0,0]=4 973 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)F 11a_100011298637_100000211992 [0,1,0,0,0,1|2,0,0]=4 974 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)F 1626a_100011298637_100000211992 [0,1,0,0,0,1|2,0,0]=4 975 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)F 22a_100011298637_100000211992 [0,1,0,0,0,1|2,0,0]=4 976 B16R1.1519 CCCC(=O)Nc1cc(ccc1C(=O)N)O 22a_100012186684_100000211992 [0,1,0,0,0,1|2,0,0]=4 977 B16R1.1556 CC#CC(=O)Cc1ccccc1C(=O)OC 1458a_100000763181_100000744672 [0,1,0,0,0,1|1,0,1]=4 978 B16R1.1556 CC=CC(=O)Cc1ccccc1C(=O)OC 1458a_100000210699_100000744672 [0,1,0,0,0,1|1,0,1]=4 979 B16R1.1556 CCCC(=O)Cc1ccccc1C(=O)OC 1458a_100000211992_100000744672 [0,1,0,0,0,1|1,0,0]=3 980 B16R1.1556 CCCC(=O)Cc1ccccc1C(=O)OC 1458a_100000695166_100000210303 [0,1,0,0,0,1|1,0,0]=3 981 B16R1.1556 CCCC(=O)Cc1cccnc1C(=O)OC 1458a_100000211992_100010177730 [0,1,0,0,0,1|2,0,0]=4 982 B16R1.1556 CCCC(=O)Cc1ncccc1C(=O)OC 1458a_100000211992_100000709840 [0,1,0,0,0,1|2,0,0]=4 983 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)CC 1458a_100011208156_100000210202 [0,1,0,0,0,1|2,0,0]=4 984 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)CF 1458a_100011208156_100015361967 [0,1,0,0,0,1|2,0,0]=4 985 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)NC 11a_100000185696_100000211992 [0,1,0,0,0,1|2,0,0]=4 986 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)NC 1626a_100000185696_100000211992 [0,1,0,0,0,1|2,0,0]=4 987 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)NC 22a_100000185696_100000211992 [0,1,0,0,0,1|2,0,0]=4 988 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)NC 240690a_100102657272_100011208156 [0,1,0,0,0,1|2,0,0]=4 989 B16R1.1556 CCNC(=O)Cc1ccccc1C(=O)OC 11a_100015525214_100000695166 [0,1,0,0,0,1|1,0,0]=3 990 B16R1.1556 CCNC(=O)Cc1ccccc1C(=O)OC 240690a_100015525214_100000695166 [0,1,0,0,0,1|1,0,0]=3 991 B16R1.1556 CCNC(=O)Nc1ccccc1C(=O)NC 2430a_100000185696_100015525214 [0,1,0,0,0,1|2,0,0]=4 992 B16R1.1556 CNCC(=O)Nc1ccccc1C(=O)OC 2230a_106832991635_100000181727 [0,1,0,0,0,1|2,0,0]=4 993 B16R1.1556 CNCC(=O)Nc1ccccc1C(=O)OC 34a_100102657272_100000181727 [0,1,0,0,0,1|2,0,0]=4 994 B16R1.1556 CNCC(=O)Nc1ccccc1C(=O)OC 7a_106832991635_100000181727 [0,1,0,0,0,1|2,0,0]=4 995 B16R1.1556 CNNC(=O)Cc1ccccc1C(=O)OC 22a_100016993582_100000695166 [0,1,0,0,0,1|2,0,0]=4 996 B16R1.1556 COC(=O)c1ccccc1CC(=O)CCF 1458a_100000695166_100011217306 [0,1,0,0,0,1|2,0,0]=4 997 B16R1.1556 COC(=O)c1ccccc1CC(=O)CCO 1458a_100000695166_100000211926 [0,1,0,0,0,1|2,0,0]=4 998 B16R1.1556 COC(=O)c1ccccc1CC(=O)CCO 1458a_100011216618_100000744672 [0,1,0,0,0,1|2,0,0]=4 999 B16R1.1556 COC(=O)c1ccccc1CC(=O)CSC 1458a_100000184570_100000744672 [0,1,0,0,0,1|2,0,0]=4 1000 B16R1.1556 COC(=O)c1ccccc1NC(=O)CSC 62a_200000210301_100000181727 [0,1,0,0,0,1|2,0,0]=4 1001 B16R1.1556 COC(=O)c1ccccc1NC(=O)CS[13CH3] 62a_200025704644_100000181727 [0,1,0,0,0,1|2,0,0]=4 1002 B16R1.1556 COCC(=O)Cc1ccccc1C(=O)OC 1458a_100000210968_100000744672 [0,1,0,0,0,1|2,0,0]=4 1003 B16R1.1556 COCC(=O)Nc1ccccc1C(=O)OC 34a_100138415774_100000181727 [0,1,0,0,0,1|2,0,0]=4 1004 B16R1.2220 CCCC(=O)Nc1cccc(c1C(=O)N)C 11a_100102558177_100000211992 [0,1,0,0,0,1|2,0,0]=4 1005 B16R1.2220 CCCC(=O)Nc1cccc(c1C(=O)N)C 1626a_100102558177_100000211992 [0,1,0,0,0,1|2,0,0]=4 1006 B16R1.2220 CCCC(=O)Nc1cccc(c1C(=O)N)C 22a_100102558177_100000211992 [0,1,0,0,0,1|2,0,0]=4 1007 B16R1.2220 CCCC(=O)Nc1cccc(c1C(=O)N)Cl 11a_100000764435_100000211992 [0,1,0,0,0,1|2,0,0]=4 1008 B16R1.2220 CCCC(=O)Nc1cccc(c1C(=O)N)Cl 1626a_100000764435_100000211992 [0,1,0,0,0,1|2,0,0]=4 1009 B16R1.2220 CCCC(=O)Nc1cccc(c1C(=O)N)F 11a_100000036109_100000211992 [0,1,0,0,0,1|2,0,0]=4 1010 B16R1.2220 CCCC(=O)Nc1cccc(c1C(=O)N)F 1626a_100000036109_100000211992 [0,1,0,0,0,1|2,0,0]=4 1011 B16R1.2220 CCCC(=O)Nc1cccc(c1C(=O)N)F 22a_100000036109_100000211992 [0,1,0,0,0,1|2,0,0]=4 1012 B16R1.2227 CCCC(=O)Nc1c(cccc1C(=O)N)Br 1626a_100010144993_100000211992 [0,1,0,0,0,1|2,0,0]=4 1013 B16R1.2227 CCCC(=O)Nc1c(cccc1C(=O)N)C 1626a_100000223273_100000211992 [0,1,0,0,0,1|2,0,0]=4 1014 B16R1.2227 CCCC(=O)Nc1c(cccc1C(=O)N)Cl 1626a_200011997947_100000211992 [0,1,0,0,0,1|2,0,0]=4 1015 B16R1.2227 CCCC(=O)Nc1c(cccc1C(=O)N)F 1626a_100011722151_100000211992 [0,1,0,0,0,1|2,0,0]=4 1016 B16R1.4493 C=C(C)c1ccccc1NC(=O)COCC 11a_100000037685_100000211967 [0,1,0,0,0,1|2,0,0]=4 1017 B16R1.4493 C=C(C)c1ccccc1NC(=O)COCC 1626a_100000037685_100000211967 [0,1,0,0,0,1|2,0,0]=4 1018 B16R1.4493 C=C(C)c1ccccc1NC(=O)COCC 22a_100000037685_100000211967 [0,1,0,0,0,1|2,0,0]=4 1019 B16R1.4493 CCC#CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100011827653 [0,1,0,0,0,1|2,0,0]=4 1020 B16R1.4493 CCC=CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000212282 [0,1,0,0,0,1|2,0,0]=4 1021 B16R1.4493 CCC=CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000212282 [0,1,0,0,0,1|2,0,0]=4 1022 B16R1.4493 CCC=CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000212282 [0,1,0,0,0,1|2,0,0]=4 1023 B16R1.4493 CCCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210183 [0,1,0,0,0,1|2,0,0]=4 1024 B16R1.4493 CCCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210183 [0,1,0,0,0,1|2,0,0]=4 1025 B16R1.4493 CCCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210183 [0,1,0,0,0,1|2,0,0]=4 1026 B16R1.4493 CCNCC(=O)Nc1ccccc1C(=O)C 2230a_100015525214_100000183221 [0,1,0,0,0,1|2,0,0]=4 1027 B16R1.4493 CCNCC(=O)Nc1ccccc1C(=O)N 2230a_100015525214_100000182880 [0,1,0,0,0,1|2,0,0]=4 1028 B16R1.4493 CCOCC(=O)Cc1ccccc1B(O)O 1458a_100000211967_100009814197 [0,1,0,0,0,1|1,0,1]=4 1029 B16R1.4493 CCOCC(=O)Cc1ccccc1[N+](=O)[O-] 1458a_100000211967_100000181388 [0,1,0,0,0,1|1,0,1]=4 1030 B16R1.4493 CCOCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000211967 [0,1,0,0,0,1|1,0,0]=3 1031 B16R1.4493 CCOCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000211967 [0,1,0,0,0,1|1,0,0]=3 1032 B16R1.4493 CCOCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000211967 [0,1,0,0,0,1|1,0,0]=3 1033 B16R1.4493 CCOCC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100000211967 [0,1,0,0,0,1|1,1,0]=4 1034 B16R1.4493 CCSCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000230394 [0,1,0,0,0,1|1,1,0]=4 1035 B16R1.4493 CCSCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000230394 [0,1,0,0,0,1|1,1,0]=4 1036 B16R1.4493 CCSCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000230394 [0,1,0,0,0,1|1,1,0]=4 1037 B16R1.4493 CCSCC(=O)Nc1ccccc1C(=O)N 62a_100000182880_100000210202 [0,1,0,0,0,1|1,1,0]=4 1038 B16R1.4493 CNCCC(=O)Nc1ccccc1C(=O)N 2230a_106832991635_100000738100 [0,1,0,0,0,1|2,0,0]=4 1039 B16R1.4493 CNCCC(=O)Nc1ccccc1C(=O)N 7a_106832991635_100000738100 [0,1,0,0,0,1|2,0,0]=4 1040 B16R1.4493 COCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000749529 [0,1,0,0,0,1|2,0,0]=4 1041 B16R1.4493 COCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000749529 [0,1,0,0,0,1|2,0,0]=4 1042 B16R1.4493 COCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000749529 [0,1,0,0,0,1|2,0,0]=4 1043 B16R1.4493 CSCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000174002 [0,1,0,0,0,1|2,0,0]=4 1044 B16R1.4493 CSCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000174002 [0,1,0,0,0,1|2,0,0]=4 1045 B16R1.4493 CSCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000174002 [0,1,0,0,0,1|2,0,0]=4 1046 B16R1.4578 CCCC(=O)N(C)c1ccccc1C(=O)N 11a_100000184419_100000211992 [0,1,0,0,0,1|2,0,0]=4 1047 B16R1.4578 CCCC(=O)N(C)c1ccccc1C(=O)N 1626a_100000184419_100000211992 [0,1,0,0,0,1|2,0,0]=4 1048 B16R1.6958 CCC(C)C(=O)Nc1ccccc1C(=O)C 1458a_200011193947_200000210301 [0,1,0,0,0,1|2,0,0]=4 1049 B16R1.6958 CCC(C)C(=O)Nc1ccccc1C(=O)N 11a_100000185089_100011192722 [0,1,0,0,0,1|2,0,0]=4 1050 B16R1.6958 CCC(C)C(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100011192722 [0,1,0,0,0,1|2,0,0]=4 1051 B16R1.6958 CCC(C)C(=O)Nc1ccccc1C(=O)N 22a_100000185089_100011192722 [0,1,0,0,0,1|2,0,0]=4 1052 B16R1.6958 CCC(C)C(=O)Nc1ccccc1C(=O)[13CH3] 1458a_200011193947_200025704644 [0,1,0,0,0,1|2,0,0]=4 1053 B16R1.6958 CCC(O)C(=O)Nc1ccccc1C(=O)N 22a_100000185089_100011196387 [0,1,0,0,0,1|2,0,0]=4 1054 B16R1.12463 CC(=O)c1ccccc1NC(=O)CC(C)C 1458a_100000194447_200000210301 [0,1,0,0,0,1|2,0,0]=4 1055 B16R1.12463 CC(C)CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210554 [0,1,0,0,0,1|2,0,0]=4 1056 B16R1.12463 CC(C)CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210554 [0,1,0,0,0,1|2,0,0]=4 1057 B16R1.12463 CC(C)CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210554 [0,1,0,0,0,1|2,0,0]=4 1058 B16R1.12463 CC(C)CC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194447_200025704644 [0,1,0,0,0,1|2,0,0]=4 1059 B16R1.12463 C[C@@H](O)CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100011933948 [0,1,0,0,0,1|2,0,0]=4 1060 B16R1.13671 C=C(C)c1cc(ccc1CC(=O)OCC)F 271570a_100000694244_200012558204 [0,1,0,0,0,1|2,0,0]=4 1061 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)C)Br 1458a_200011598328_200000210301 [0,1,0,0,0,1|2,0,0]=4 1062 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)Br 11a_100000740421_100000211992 [0,1,0,0,0,1|2,0,0]=4 1063 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)Br 1626a_100000740421_100000211992 [0,1,0,0,0,1|2,0,0]=4 1064 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)Br 22a_100000740421_100000211992 [0,1,0,0,0,1|2,0,0]=4 1065 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)C 11a_100011692829_100000211992 [0,1,0,0,0,1|2,0,0]=4 1066 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)C 1626a_100011692829_100000211992 [0,1,0,0,0,1|2,0,0]=4 1067 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)C 22a_100011692829_100000211992 [0,1,0,0,0,1|2,0,0]=4 1068 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)Cl 11a_100000743835_100000211992 [0,1,0,0,0,1|2,0,0]=4 1069 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)Cl 1626a_100000743835_100000211992 [0,1,0,0,0,1|2,0,0]=4 1070 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)Cl 22a_100000743835_100000211992 [0,1,0,0,0,1|2,0,0]=4 1071 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)F 11a_100000741173_100000211992 [0,1,0,0,0,1|2,0,0]=4 1072 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)F 1626a_100000741173_100000211992 [0,1,0,0,0,1|2,0,0]=4 1073 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)N)F 22a_100000741173_100000211992 [0,1,0,0,0,1|2,0,0]=4 1074 B16R1.13671 CCCC(=O)Nc1ccc(cc1C(=O)[13CH3])Br 1458a_200011598328_200025704644 [0,1,0,0,0,1|2,0,0]=4 1075 B16R1.15041 C=C(C)c1ccc(cc1C(=O)OCC)OC 271570a_100000694244_200000171771 [0,2,0,0,0,0|2,0,0]=4 1076 B16R1.15042 CCCC(=O)c1cc(ccc1C(=O)OC)F 1458a_200010710419_100000210303 [0,2,0,0,0,0|1,0,0]=3 1077 B16R1.15042 CCNC(=O)c1cc(ccc1C(=O)OC)F 240690a_100015525214_200010710419 [0,2,0,0,0,0|1,0,0]=3 1078 B16R1.15042 CNNC(=O)c1cc(ccc1C(=O)OC)F 22a_100016993582_200010710419 [0,2,0,0,0,0|2,0,0]=4 1079 B16R1.15042 COC(=O)c1ccc(cc1C(=O)CCF)F 1458a_200010710419_100011217306 [0,2,0,0,0,0|2,0,0]=4 1080 B16R1.15042 COC(=O)c1ccc(cc1C(=O)CCO)F 1458a_200010710419_100000211926 [0,2,0,0,0,0|2,0,0]=4 1081 B16R1.70638 C=C(C)c1cc(c(cc1C(=O)OCC)F)F 271570a_100000694244_100010195690 [0,2,0,0,0,0|2,0,0]=4 1082 B16R1.1177 CCC(C)C(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000758301 [0,2,0,0,0,0|1,0,0]=3 1083 B16R1.1177 CCN(C)C(=O)c1ccccc1C(=O)OC 1626a_100000225621_100011215673 [0,2,0,0,0,0|1,0,0]=3 1084 B16R1.1177 CCN(C)C(=O)c1ccccc1C(=O)OC 240690a_100000225621_100011215673 [0,2,0,0,0,0|1,0,0]=3 1085 B16R1.1500 C#CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000753159 [0,2,0,0,0,0|1,0,1]=4 1086 B16R1.1500 C#CCNC(=O)c1ccccc1C(=O)OC 1626a_100000212058_100011215673 [0,2,0,0,0,0|1,0,1]=4 1087 B16R1.1500 C#CCNC(=O)c1ccccc1C(=O)OC 240690a_100000212058_100011215673 [0,2,0,0,0,0|1,0,1]=4 1088 B16R1.1500 C/C=C/CC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100102629194 [0,2,0,0,0,0|1,0,1]=4 1089 B16R1.1500 C=CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000754431 [0,2,0,0,0,0|1,0,1]=4 1090 B16R1.1500 C=CCNC(=O)c1ccccc1C(=O)OC 1626a_100020586998_100011215673 [0,2,0,0,0,0|1,0,1]=4 1091 B16R1.1500 C=CCNC(=O)c1ccccc1C(=O)OC 240690a_100020586998_100011215673 [0,2,0,0,0,0|1,0,1]=4 1092 B16R1.1500 CC#CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000748600 [0,2,0,0,0,0|1,0,1]=4 1093 B16R1.1500 CC=CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000070051 [0,2,0,0,0,0|1,0,1]=4 1094 B16R1.1500 CCCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210211 [0,2,0,0,0,0|1,0,0]=3 1095 B16R1.1500 CCCNC(=O)c1ccccc1C(=O)OC 1626a_100020643023_100011215673 [0,2,0,0,0,0|1,0,0]=3 1096 B16R1.1500 CCCNC(=O)c1ccccc1C(=O)OC 240690a_100020643023_100011215673 [0,2,0,0,0,0|1,0,0]=3 1097 B16R1.1500 CCNN=C(C)c1ccccc1C(=O)OC 4a_100000756455_100010269922 [0,2,0,0,0,0|2,0,0]=4 1098 B16R1.1500 CCNNC(=O)c1ccccc1C(=O)OC 22a_100000756455_100011215673 [0,2,0,0,0,0|1,0,0]=3 1099 B16R1.1500 CCOCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000739092 [0,2,0,0,0,0|2,0,0]=4 1100 B16R1.1500 COC(=O)c1ccccc1C(=O)CCC#N 1458a_100011215673_100011215226 [0,2,0,0,0,0|1,0,1]=4 1101 B16R1.1500 COC(=O)c1ccccc1C(=O)CCCF 1458a_100011215673_100011934791 [0,2,0,0,0,0|1,0,0]=3 1102 B16R1.1500 COC(=O)c1ccccc1C(=O)CCCO 1458a_100011215673_100011215043 [0,2,0,0,0,0|1,0,0]=3 1103 B16R1.1500 COC(=O)c1ccccc1C(=O)CCSC 1458a_100011215673_100000751147 [0,2,0,0,0,0|1,0,0]=3 1104 B16R1.1500 COC(=O)c1ccccc1C(=O)NCC#N 1626a_100000734998_100011215673 [0,2,0,0,0,0|1,0,1]=4 1105 B16R1.1500 COC(=O)c1ccccc1C(=O)NCCF 1626a_100000724931_100011215673 [0,2,0,0,0,0|1,0,0]=3 1106 B16R1.1500 COC(=O)c1ccccc1C(=O)NCCF 240690a_100000724931_100011215673 [0,2,0,0,0,0|1,0,0]=3 1107 B16R1.1500 COC(=O)c1ccccc1C(=O)NCCO 240690a_100000210304_100011215673 [0,2,0,0,0,0|1,0,0]=3 1108 B16R1.1500 COCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000233755 [0,2,0,0,0,0|1,0,0]=3 1109 B16R1.3994 CCNS(=O)(=O)c1ccccc1C(=O)OC 270084a_100015525214_100000182957 [0,2,0,0,0,0|2,0,0]=4 1110 B16R1.3994 CCNS(=O)(=O)c1ccccc1C(=O)OC 274078a_100015525214_100000182957 [0,2,0,0,0,0|2,0,0]=4 1111 B16R1.3994 CCNS(=O)(=O)c1ccccc1C(=O)OC 40a_100015525214_200015196601 [0,2,0,0,0,0|2,0,0]=4 1112 B16R1.14964 CCOC(=O)c1ccccc1N(C)CC=O 2230a_100160572725_200015260668 [0,2,0,0,0,0|2,0,0]=4 1113 B16R1.14964 CCOC(=O)c1ccccc1N(C)CC=O 269982a_100160572725_200015260668 [0,2,0,0,0,0|2,0,0]=4 1114 B16R1.14964 CCOC(=O)c1ccccc1N(C)CCO 2230a_100160572725_100000211926 [0,2,0,0,0,0|2,0,0]=4 1115 B16R1.14964 CCOC(=O)c1ccccc1N(C)CCO 269982a_100160572725_100000211926 [0,2,0,0,0,0|2,0,0]=4 1116 B16R1.14964 CCOC(=O)c1ccccc1N(C)COC 2230a_100160572725_100000766300 [0,2,0,0,0,0|2,0,0]=4 1117 B16R1.14964 CCOC(=O)c1ccccc1N(C)COC 269982a_100160572725_100000766300 [0,2,0,0,0,0|2,0,0]=4 1118 B16R1.15445 CCCC(=O)c1c(cccc1C(=O)OC)Br 1458a_100010710481_100000210303 [0,2,0,0,0,0|1,0,0]=3 1119 B16R1.15445 CCNC(=O)c1c(cccc1C(=O)OC)Br 240690a_100015525214_100010710481 [0,2,0,0,0,0|1,0,0]=3 1120 B16R1.15445 CCNC(=O)c1c(cccc1C(=O)OC)Br 527a_100015525214_100010710481 [0,2,0,0,0,0|1,0,0]=3 1121 B16R1.15445 COC(=O)c1cccc(c1C(=O)CCF)Br 1458a_100010710481_100011217306 [0,2,0,0,0,0|2,0,0]=4 1122 B16R1.15445 COC(=O)c1cccc(c1C(=O)CCO)Br 1458a_100010710481_100000211926 [0,2,0,0,0,0|2,0,0]=4 1123 B16R1.16697 C=C(C)CC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000748629 [0,2,0,0,0,0|1,0,1]=4 1124 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(C)C 1458a_100011215673_100000210624 [0,2,0,0,0,0|1,0,0]=3 1125 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(C)O 1458a_100011215673_100011218427 [0,2,0,0,0,0|1,0,0]=3 1126 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(F)F 1458a_100011215673_100011934356 [0,2,0,0,0,0|2,0,0]=4 1127 B16R1.16697 COC(=O)c1ccccc1C(=O)NC(C)C 1626a_100138425928_100011215673 [0,2,0,0,0,0|1,0,0]=3 1128 B16R1.16697 COC(=O)c1ccccc1C(=O)NC(C)C 240690a_100138425928_100011215673 [0,2,0,0,0,0|1,0,0]=3 1129 B16R1.1730 CCCCOC(=O)c1ccccc1C(=O)C 1458a_100000035225_200000210301 [0,2,0,0,0,0|1,0,0]=3 1130 B16R1.1730 CCCCOC(=O)c1ccccc1C(=O)[13CH3] 1458a_100000035225_200025704644 [0,2,0,0,0,0|1,0,0]=3 1131 B16R1.1730 CCOCCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100011215890 [0,2,0,0,0,0|1,0,1]=4 1132 B16R1.1730 CCOCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100011215890 [0,2,0,0,0,0|2,0,0]=4 1133 B16R1.1730 CCOCCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100011215890 [0,2,0,0,0,0|1,0,1]=4 1134 B16R1.4547 C=C(C)c1ccccc1C(=O)OCC(=O)C 271570a_100000694244_201991511838 [0,2,0,0,0,0|2,0,0]=4 1135 B16R1.12475 C=C(C)c1ccccc1C(=O)OC(C)(C)C 271570a_100000694244_100011942462 [0,2,0,0,0,0|2,0,0]=4 1136 B16R1.12475 CC(=O)c1ccccc1C(=O)NC(C)(C)C 1458a_100000184623_200000210301 [0,2,0,0,0,0|2,0,0]=4 1137 B16R1.12475 CC(=O)c1ccccc1C(=O)OC(C)(C)C 1458a_100000036269_200000210301 [0,2,0,0,0,0|1,0,0]=3 1138 B16R1.12475 CC(C)(C)NC(=O)c1ccccc1C(=O)[13CH3] 1458a_100000184623_200025704644 [0,2,0,0,0,0|2,0,0]=4 1139 B16R1.12475 CC(C)(C)OC(=O)c1ccccc1C(=O)[13CH3] 1458a_100000036269_200025704644 [0,2,0,0,0,0|1,0,0]=3 1140 B16R1.69082 C=Cc1ccc(c(c1)B(O)O)C(=O)OCC 271570a_100011290941_200010177511 [0,2,0,0,0,0|1,0,1]=4 1141 B16R1.69082 CCOC(=O)c1ccc(cc1[N+](=O)[O-])OC 7a_200000044126_200000210301 [0,2,0,0,0,0|1,0,1]=4 1142 B16R1.69082 CCOC(=O)c1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_200000044126_200025704644 [0,2,0,0,0,0|1,0,1]=4 1143 B14R1.32 CCNC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266304 [0,0,1,1,0,0|2,0,0]=4 1144 B14R1.32 CCOC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016304034 [0,0,1,1,0,0|1,0,0]=3 1145 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)O 271570a_100010199719_100000762945 [0,0,1,1,0,0|2,0,0]=4 1146 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)c1 271570a_100010199719_100009816521 [0,0,1,1,0,0|2,0,0]=4 1147 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)n1 271570a_100010199719_200000134032 [0,0,1,1,0,0|2,0,0]=4 1148 B14R1.32 CCOC(=O)C=Cc1cccc(=O)[nH]1 271570a_100010199719_100000761760 [0,0,1,1,0,0|1,0,0]=3 1149 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Br 271570a_100010199719_100000691529 [0,0,1,1,0,0|2,0,0]=4 1150 B14R1.32 CCOC(=O)C=Cc1cccc(c1)C 271570a_100010199719_100011215228 [0,0,1,1,0,0|2,0,0]=4 1151 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Cl 271570a_100010199719_100000699651 [0,0,1,1,0,0|2,0,0]=4 1152 B14R1.32 CCOC(=O)C=Cc1cccc(c1)F 271570a_100010199719_100000685547 [0,0,1,1,0,0|2,0,0]=4 1153 B14R1.32 CCOC(=O)C=Cc1cccc(c1)N 271570a_100010199719_100000210019 [0,0,1,1,0,0|2,0,0]=4 1154 B14R1.32 CCOC(=O)C=Cc1cccc(c1)O 271570a_100010199719_100000211634 [0,0,1,1,0,0|1,0,0]=3 1155 B14R1.32 CCOC(=O)C=Cc1cccc(c1)[S] 271570a_100010199719_114929384022 [0,0,1,1,0,0|1,1,0]=4 1156 B14R1.32 CCOC(=O)C=Cc1cccc(n1)Br 271570a_100010199719_100000684672 [0,0,1,1,0,0|2,0,0]=4 1157 B14R1.32 CCOC(=O)C=Cc1cccc(n1)C 271570a_100010199719_100000742759 [0,0,1,1,0,0|2,0,0]=4 1158 B14R1.32 CCOC(=O)C=Cc1cccc(n1)F 271570a_100010199719_100009815982 [0,0,1,1,0,0|2,0,0]=4 1159 B14R1.32 CCOC(=O)C=Cc1cccc(n1)N 271570a_100010199719_100000740741 [0,0,1,1,0,0|2,0,0]=4 1160 B14R1.32 CCOC(=O)C=Cc1cncc(c1)O 271570a_100010199719_100000754920 [0,0,1,1,0,0|2,0,0]=4 1161 B14R1.32 CCOC(=O)C=Cc1cncc(n1)O 271570a_100010199719_100011269956 [0,0,1,1,0,0|2,0,0]=4 1162 B14R1.32 CCOC(=O)C=Cc1nccc(n1)O 271570a_100010199719_100011649813 [0,0,1,1,0,0|2,0,0]=4 1163 B14R1.468 CCOc1cccc(c1)C=CC(=O)C 1458a_100011214976_200000210301 [0,0,1,1,0,0|2,0,0]=4 1164 B14R1.468 CCOc1cccc(c1)C=CC(=O)[13CH3] 1458a_100011214976_200025704644 [0,0,1,1,0,0|2,0,0]=4 1165 B14R1.605 C=Cc1cc(cc(c1)C(=O)OCC)Br 271570a_100011290941_200012351389 [0,0,1,1,0,0|2,0,0]=4 1166 B14R1.605 C=Cc1cc(cc(c1)C(=O)OCC)F 271570a_100011290941_200011295119 [0,0,1,1,0,0|2,0,0]=4 1167 B14R1.605 C=Cc1cc(cc(n1)C)C(=O)OCC 271570a_100011290941_100011830423 [0,0,1,1,0,0|2,0,0]=4 1168 B14R2.98 O=Cc1ccccc1C2=CCCC2 271570a_100000089523_100000211189 [1,0,0,1,0,0|2,0,0]=4 1169 B14R2.215 CNC1C(=O)c2ccccc2C1=O 2230a_106832991635_200009813996 [1,0,0,1,0,0|2,0,0]=4 1170 B14R2.215 CSC1C(=O)c2ccccc2C1=O 62a_200000210301_200009813996 [1,0,0,1,0,0|2,0,0]=4 1171 B14R2.215 CSC1C(=O)c2ccccc2C1=O 62a_200009813996_200000210301 [1,0,0,1,0,0|2,0,0]=4 1172 B14R2.215 [13CH3]SC1C(=O)c2ccccc2C1=O 62a_200009813996_200025704644 [1,0,0,1,0,0|2,0,0]=4 1173 B14R2.215 [13CH3]SC1C(=O)c2ccccc2C1=O 62a_200025704644_200009813996 [1,0,0,1,0,0|2,0,0]=4 1174 B14R2.3348 C=C(c1ccccc1C=O)C2CC2 271570a_100010895485_100000211189 [1,0,0,1,0,0|2,0,0]=4 1175 B14R2.7150 CCOc1cccc2c1cccc2 34a_100000210388_100000210202 [1,0,0,1,0,0|2,0,0]=4 1176 B14R2.7150 CCOc1cccc2c1cccc2 7a_100000210388_100000210202 [1,0,0,1,0,0|2,0,0]=4 1177 B14R2.7150 CCOc1cncc2c1cccc2 34a_100000066178_100000210202 [1,0,0,1,0,0|2,0,0]=4 1178 B14R2.7150 CCOc1cncc2c1cccc2 7a_100000066178_100000210202 [1,0,0,1,0,0|2,0,0]=4 1179 B14R2.7150 CCOc1nccc2c1cccc2 34a_102531767632_100000210202 [1,0,0,1,0,0|2,0,0]=4 1180 B14R2.11635 C=Cc1cccc2c1C(=O)CCC2 271570a_100011290941_100009816782 [1,0,0,1,0,0|2,0,0]=4 1181 B14R2.1131 COc1ccc(c2c1cccc2)O 271570a_203496583355_100011256618 [1,0,0,1,0,0|2,0,0]=4 1182 B14R2.1131 COc1cnc(c2c1cccc2)O 271570a_203496583355_100009847308 [1,0,0,1,0,0|2,0,0]=4 1183 B14R2.1131 COc1ncc(c2c1cccc2)O 271570a_203496583355_100010220697 [1,0,0,1,0,0|2,0,0]=4 1184 B14R2.24350 C=C(C)c1cccc2c1C(=O)CC2 271570a_100000694244_100009816781 [1,0,0,1,0,0|2,0,0]=4 1185 B14R2.24350 C=C(C)c1cccc2c1C(=O)OC2 271570a_100000694244_100010132333 [1,0,0,1,0,0|2,0,0]=4 1186 B14R2.24350 CC(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200000210301 [1,0,0,1,0,0|2,0,0]=4 1187 B14R2.24350 [13CH3]C(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200025704644 [1,0,0,1,0,0|2,0,0]=4 1188 B14R2.9513 O=C(O)c1ccccc1SC2CC2 62a_202125556159_100000211595 [1,0,0,1,0,0|2,0,0]=4 1189 B16R2.29743 CCNC(=O)c1cccc2c1CC(=O)N2 240690a_100015525214_100000098511 [0,0,0,1,0,1|2,0,0]=4 1190 B16R2.29743 CCNC(=O)c1cccc2c1CC(=O)N2 527a_100015525214_100000098511 [0,0,0,1,0,1|2,0,0]=4 1191 B16R2.29743 CCNC(=O)c1cccc2c1NC(=O)C2 240690a_100015525214_100000082743 [0,0,0,1,0,1|2,0,0]=4 1192 B16R2.29743 CCOC(=O)c1cccc2c1sc(n2)O 271570a_203496583355_200010175465 [0,0,0,1,0,1|1,0,0]=3 1193 B16R2.3033 CC(=O)c1ccccc1N2CCCC2=O 1458a_100000205990_200000210301 [0,0,0,1,0,1|2,0,0]=4 1194 B16R2.3033 [13CH3]C(=O)c1ccccc1N2CCCC2=O 1458a_100000205990_200025704644 [0,0,0,1,0,1|2,0,0]=4 1195 B16R2.27521 NC(=O)c1ccccc1NC(=O)C2CC2 11a_100000185089_100000210395 [0,0,0,1,0,1|2,0,0]=4 1196 B16R2.27521 NC(=O)c1ccccc1NC(=O)C2CC2 1626a_100000185089_100000210395 [0,0,0,1,0,1|2,0,0]=4 1197 B16R2.27521 NC(=O)c1ccccc1NC(=O)C2CC2 22a_100000185089_100000210395 [0,0,0,1,0,1|2,0,0]=4 1198 B16R2.154585 CCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000211992_100010208147 [0,0,0,1,0,1|2,0,0]=4 1199 B16R2.154585 CCOC(=O)c1nc(c2n1cccc2)O 271570a_203496583355_100010174482 [0,0,0,1,0,1|2,0,0]=4 1200 B16R2.154585 CCOC(=O)c1nc(n2c1cccc2)O 271570a_203496583355_100010126249 [0,0,0,1,0,1|2,0,0]=4 1201 B16R2.87 CC(=O)c1ccccc1C2=CCCCO2 271570a_100010177797_100000751169 [0,1,0,1,0,0|2,0,0]=4 1202 B16R2.87 CC(=O)c1ccccc1C2=COCCC2 271570a_100010175576_100000751169 [0,1,0,1,0,0|2,0,0]=4 1203 B16R2.87 NC(=O)c1ccccc1C2=CCCCO2 271570a_100010177797_100000162227 [0,1,0,1,0,0|2,0,0]=4 1204 B16R2.87 NC(=O)c1ccccc1C2=COCCC2 271570a_100010175576_100000162227 [0,1,0,1,0,0|2,0,0]=4 1205 B16R2.1160 COC(=O)c1ccccc1C2=CCCC2 271570a_100000089523_100000148710 [0,1,0,1,0,0|2,0,0]=4 1206 B16R2.29744 CCCC(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_100000210303 [0,1,0,1,0,0|2,0,0]=4 1207 B16R2.29744 CCNC(=O)c1cccc2c1C(=O)NC2 11a_100015525214_100000103835 [0,1,0,1,0,0|2,0,0]=4 1208 B16R2.29744 CCNC(=O)c1cccc2c1C(=O)NC2 240690a_100015525214_100000103835 [0,1,0,1,0,0|2,0,0]=4 1209 B16R2.29744 CCNC(=O)c1cccc2c1C(=O)NC2 527a_100015525214_100000103835 [0,1,0,1,0,0|2,0,0]=4 1210 B16R2.29744 CCNC(=O)c1cccc2c1c(=O)[nH][nH]2 240690a_100015525214_100000074133 [0,1,0,1,0,0|2,0,0]=4 1211 B16R2.29744 CCOC(=O)c1cccc2n1c(cn2)O 271570a_203496583355_100010230351 [0,1,0,1,0,0|2,0,0]=4 1212 B16R2.34080 C=C(c1ccccc1C(=O)OC)C2CC2 271570a_100010895485_100000148710 [0,1,0,1,0,0|2,0,0]=4 1213 B16R2.119700 CCOc1ccc(c2c1cccc2)OC 34a_100000032393_100000210202 [0,1,0,1,0,0|2,0,0]=4 1214 B16R2.119700 CCOc1ccc(c2c1cccc2)OC 7a_100000032393_100000210202 [0,1,0,1,0,0|2,0,0]=4 1215 B16R2.12192 CCNN=C1COC(=O)c2c1cccc2 4a_100000756455_200010632819 [0,1,0,1,0,0|2,0,0]=4 1216 B12R1.316 C=Cc1cscc1C(=O)OCC 271570a_100011290941_100012353568 [1,0,0,0,1,0|2,0,0]=4 1217 B12R1.316 C=Cc1sccc1C(=O)OCC 271570a_100011290941_100010219215 [1,0,0,0,1,0|2,0,0]=4 1218 B14R1.965 C=Cc1ccccc1CC(=O)NCC 271570a_100011290941_200009816148 [1,0,0,0,0,1|2,0,0]=4 1219 B14R1.965 C=Cc1ccccc1CC(=O)OCC 271570a_100011290941_100011218996 [1,0,0,0,0,1|1,0,0]=3 1220 B14R1.965 C=Cc1ccccc1NC(=O)CCC 11a_100012022501_100000211992 [1,0,0,0,0,1|2,0,0]=4 1221 B14R1.965 C=Cc1ccccc1NC(=O)CCC 1626a_100012022501_100000211992 [1,0,0,0,0,1|2,0,0]=4 1222 B14R1.965 C=Cc1ccccc1NC(=O)CCC 22a_100012022501_100000211992 [1,0,0,0,0,1|2,0,0]=4 1223 B14R1.965 C=Cc1ccccc1NC(=O)CCC 271570a_100011290941_100000153530 [1,0,0,0,0,1|2,0,0]=4 1224 B14R1.965 C=Cc1ccccc1NC(=O)NCC 2430a_100012022501_100015525214 [1,0,0,0,0,1|2,0,0]=4 1225 B14R1.965 C=Cc1cccnc1CC(=O)OCC 271570a_100011290941_100016306959 [1,0,0,0,0,1|2,0,0]=4 1226 B14R1.965 C=Cc1cnccc1CC(=O)OCC 271570a_100011290941_100010089795 [1,0,0,0,0,1|2,0,0]=4 1227 B14R1.965 C=Cc1ncccc1CC(=O)OCC 271570a_100011290941_100009886914 [1,0,0,0,0,1|2,0,0]=4 1228 B14R1.965 CC#CC(=O)Cc1ccccc1C=O 1458a_100000763181_200009853537 [1,0,0,0,0,1|1,0,1]=4 1229 B14R1.965 CC=CC(=O)Cc1ccccc1C=O 1458a_100000210699_200009853537 [1,0,0,0,0,1|1,0,1]=4 1230 B14R1.965 CCCC(=O)Cc1ccccc1C=O 1458a_100000211992_200009853537 [1,0,0,0,0,1|1,0,0]=3 1231 B14R1.965 CCCC(=O)Cc1ccccc1CO 1458a_100000211992_100009816955 [1,0,0,0,0,1|1,0,1]=4 1232 B14R1.965 CCCC(=O)Nc1ccccc1CO 22a_100000212039_100000211992 [1,0,0,0,0,1|1,0,1]=4 1233 B14R1.965 CCOC(=O)Cc1ccccc1OC 7a_100011742756_200000210301 [1,0,0,0,0,1|2,0,0]=4 1234 B14R1.965 CCOC(=O)Cc1ccccc1O[13CH3] 7a_100011742756_200025704644 [1,0,0,0,0,1|2,0,0]=4 1235 B14R1.965 CCOC(=O)Cc1ccccc1SC 62a_100011218996_200000210301 [1,0,0,0,0,1|2,0,0]=4 1236 B14R1.965 CCOC(=O)Cc1ccccc1SC 62a_200000210301_100011218996 [1,0,0,0,0,1|2,0,0]=4 1237 B14R1.965 CCOC(=O)Cc1ccccc1S[13CH3] 62a_100011218996_200025704644 [1,0,0,0,0,1|2,0,0]=4 1238 B14R1.965 CCOC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011218996 [1,0,0,0,0,1|2,0,0]=4 1239 B14R1.965 COCC(=O)Cc1ccccc1C=O 1458a_100000210968_200009853537 [1,0,0,0,0,1|2,0,0]=4 1240 B14R1.965 CSCC(=O)Cc1ccccc1C=O 1458a_100000184570_200009853537 [1,0,0,0,0,1|2,0,0]=4 1241 B14R1.965 O=Cc1ccccc1CC(=O)CCO 1458a_100011216618_200009853537 [1,0,0,0,0,1|2,0,0]=4 1242 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 11a_100000185696_100015343762 [1,0,0,0,0,1|2,0,0]=4 1243 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 1626a_100000185696_100015343762 [1,0,0,0,0,1|2,0,0]=4 1244 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 22a_100000185696_100000070787 [1,0,0,0,0,1|2,0,0]=4 1245 B14R1.744 CNC(=O)c1ccccc1OC(=O)C 240690a_100102657272_100000210466 [1,0,0,0,0,1|2,0,0]=4 1246 B14R1.744 COC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000148710 [1,0,0,0,0,1|2,0,0]=4 1247 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100000744672 [1,0,0,0,0,1|1,0,0]=3 1248 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000695166_200000210301 [1,0,0,0,0,1|1,0,0]=3 1249 B14R1.744 COC(=O)c1ccccc1CC(=O)[13CH3] 1458a_100000695166_200025704644 [1,0,0,0,0,1|1,0,0]=3 1250 B14R1.744 COC(=O)c1cccnc1CC(=O)C 1458a_100000070787_100000709840 [1,0,0,0,0,1|2,0,0]=4 1251 B14R1.744 COC(=O)c1ncccc1CC(=O)C 1458a_100000070787_100010177730 [1,0,0,0,0,1|2,0,0]=4 1252 B14R1.786 CCNCc1ccccc1CC(=O)O 269956a_100000688124_100000210202 [1,0,0,0,0,1|1,0,1]=4 1253 B14R1.786 CCOCc1ccccc1NC(=O)C 34a_100000192217_100000210202 [1,0,0,0,0,1|1,0,1]=4 1254 B14R1.786 CCOCc1ccccc1NC(=O)C 7a_100000192217_100000210202 [1,0,0,0,0,1|1,0,1]=4 1255 B14R1.617 C=C(C)c1cccc(c1)C(=O)OCC 271570a_100000694244_100000170211 [0,0,0,0,1,1|2,0,0]=4 1256 B14R1.617 C=C(C)c1cccc(n1)C(=O)OCC 271570a_100000694244_100000695914 [0,0,0,0,1,1|2,0,0]=4 1257 B14R1.617 CCCC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_100000210303 [0,0,0,0,1,1|2,0,0]=4 1258 B14R1.617 CCNC(=O)c1cccc(c1)C(=O)N 11a_100015525214_100000736676 [0,0,0,0,1,1|2,0,0]=4 1259 B14R1.617 CCNC(=O)c1cccc(c1)C(=O)N 240690a_100015525214_100000736676 [0,0,0,0,1,1|2,0,0]=4 1260 B14R1.617 CCNC(=O)c1cccc(c1)C(=O)N 527a_100015525214_100000736676 [0,0,0,0,1,1|2,0,0]=4 1261 B16R1.959 C=C(C)COc1ccccc1C(=O)OCC 7a_100000169922_100000748629 [0,0,0,0,0,2|2,0,0]=4 1262 B16R1.959 C=C(C)CSc1ccccc1C(=O)OCC 62a_100000169876_100000211660 [0,0,0,0,0,2|2,0,0]=4 1263 B16R1.959 C=C(C)CSc1ccccc1C(=O)OCC 62a_100000748629_100000169879 [0,0,0,0,0,2|2,0,0]=4 1264 B16R1.959 C=C(F)COc1ccccc1C(=O)OCC 7a_100000169922_100000042424 [0,0,0,0,0,2|2,0,0]=4 1265 B16R1.959 C=C(F)CSc1ccccc1C(=O)OCC 62a_100000042424_100000169879 [0,0,0,0,0,2|2,0,0]=4 1266 B16R1.959 C=C(F)CSc1ccccc1C(=O)OCC 62a_100000169876_100000042424 [0,0,0,0,0,2|2,0,0]=4 1267 B16R1.959 CCCC(=O)c1ccccc1OCC(=O)N 34a_200000073644_100000187820 [0,0,0,0,0,2|2,0,0]=4 1268 B16R1.959 CCCC(=O)c1ccccc1OCC(=O)N 7a_200000073644_100000187820 [0,0,0,0,0,2|2,0,0]=4 1269 B16R1.959 CCCC(=O)c1ccccc1OCC(=O)[O-] 34a_200000073644_100020667443 [0,0,0,0,0,2|1,0,1]=4 1270 B16R1.959 CCCC(=O)c1ccccc1SCC(=O)N 1458a_100000180052_100000210303 [0,0,0,0,0,2|2,0,0]=4 1271 B16R1.959 CCNC(=O)c1ccccc1NCC(=O)N 34a_100000205978_100000187820 [0,0,0,0,0,2|2,0,0]=4 1272 B16R1.959 CCNC(=O)c1ccccc1NCC(=O)[O-] 34a_100000205978_100020667443 [0,0,0,0,0,2|1,0,1]=4 1273 B16R1.959 CCNC(=O)c1ccccc1OCC(=O)N 34a_100000192205_100000187820 [0,0,0,0,0,2|2,0,0]=4 1274 B16R1.959 CCNC(=O)c1ccccc1OCC(=O)N 7a_100000192205_100000187820 [0,0,0,0,0,2|2,0,0]=4 1275 B16R1.959 CCNC(=O)c1ccccc1OCC(=O)[O-] 34a_100000192205_100020667443 [0,0,0,0,0,2|1,0,1]=4 1276 B16R1.959 CCNC(=O)c1ccccc1SCC(=O)N 11a_100015525214_100000180052 [0,0,0,0,0,2|2,0,0]=4 1277 B16R1.959 CCNC(=O)c1ccccc1SCC(=O)N 240690a_100015525214_100000180052 [0,0,0,0,0,2|2,0,0]=4 1278 B16R1.959 CCNC(=O)c1ccccc1SCC(=O)N 527a_100015525214_100000180052 [0,0,0,0,0,2|2,0,0]=4 1279 B16R1.959 CCNC(=O)c1ccccc1SCC(=O)N 62a_100000747473_200000155173 [0,0,0,0,0,2|2,0,0]=4 1280 B16R1.959 CCNC(=O)c1ccccc1SCC(=O)N 62a_200000155173_100000747473 [0,0,0,0,0,2|2,0,0]=4 1281 B16R1.959 CCNC(=O)c1ccccc1SCC(=O)[O-] 62a_100020667443_200000155173 [0,0,0,0,0,2|1,0,1]=4 1282 B16R1.959 CCNC(=O)c1ccccc1SCC(=O)[O-] 62a_200000155173_100020667443 [0,0,0,0,0,2|1,0,1]=4 1283 B16R1.959 CCOC(=O)c1ccccc1C=CC(C)O 271570a_200011019289_100000169879 [0,0,0,0,0,2|1,0,1]=4 1284 B16R1.959 CCOC(=O)c1ccccc1CCC(=O)C 1458a_100000070787_100011002046 [0,0,0,0,0,2|1,0,0]=3 1285 B16R1.959 CCOC(=O)c1ccccc1OCC(=O)N 7a_100000169922_100000187820 [0,0,0,0,0,2|1,0,0]=3 1286 B16R1.959 CCOC(=O)c1ccccc1OCC(C)O 7a_100000169922_100011218427 [0,0,0,0,0,2|1,0,1]=4 1287 B16R1.959 CCOC(=O)c1ccccc1OC[C@@H](C)O 7a_100000169922_100009817552 [0,0,0,0,0,2|1,0,1]=4 1288 B16R1.959 CCOC(=O)c1ccccc1SCC(=O)N 62a_100000169876_100000747473 [0,0,0,0,0,2|1,0,0]=3 1289 B16R1.959 CCOC(=O)c1ccccc1SCC(=O)N 62a_100000747473_100000169879 [0,0,0,0,0,2|1,0,0]=3 1290 B16R1.959 CCOC(=O)c1ccccc1SCC(=O)[O-] 62a_100000169876_100020667443 [0,0,0,0,0,2|0,0,1]=3 1291 B16R1.959 CCOC(=O)c1ccccc1SCC(=O)[O-] 62a_100020667443_100000169879 [0,0,0,0,0,2|0,0,1]=3 1292 B16R1.959 CCOC(=O)c1ccccc1SCC(C)O 62a_100000169876_100011218427 [0,0,0,0,0,2|1,0,1]=4 1293 B16R1.959 CCOC(=O)c1ccccc1SCC(C)O 62a_100011218427_100000169879 [0,0,0,0,0,2|1,0,1]=4 1294 B16R1.959 CCOC(=O)c1ccccc1SC[C@@H](C)O 62a_100000169876_100009817552 [0,0,0,0,0,2|1,0,1]=4 1295 B16R1.959 CCOC(=O)c1ccccc1SC[C@@H](C)O 62a_100009817552_100000169879 [0,0,0,0,0,2|1,0,1]=4 1296 B16R1.959 CCOC(=O)c1ccccc1SC[N+](=O)[O-] 62a_100000169876_100000761209 [0,0,0,0,0,2|1,0,1]=4 1297 B16R1.959 CCOC(=O)c1cccnc1SCC(=O)N 62a_100000747473_100000170124 [0,0,0,0,0,2|2,0,0]=4 1298 B16R1.959 CCOC(=O)c1cccnc1SCC(=O)N 62a_100011291640_100000747473 [0,0,0,0,0,2|2,0,0]=4 1299 B16R1.959 CCOC(=O)c1cccnc1SCC(=O)[O-] 62a_100011291640_100020667443 [0,0,0,0,0,2|1,0,1]=4 1300 B16R1.959 CCOC(=O)c1cccnc1SCC(=O)[O-] 62a_100020667443_100000170124 [0,0,0,0,0,2|1,0,1]=4 1301 B16R1.959 CCOC(=O)c1ccncc1SCC(=O)N 62a_100000747473_100010238393 [0,0,0,0,0,2|2,0,0]=4 1302 B16R1.959 CCOC(=O)c1ccncc1SCC(=O)N 62a_100010238393_100000747473 [0,0,0,0,0,2|2,0,0]=4 1303 B16R1.959 CCOC(=O)c1ccncc1SCC(=O)[O-] 62a_100010238393_100020667443 [0,0,0,0,0,2|1,0,1]=4 1304 B16R1.959 CCOC(=O)c1ccncc1SCC(=O)[O-] 62a_100020667443_100010238393 [0,0,0,0,0,2|1,0,1]=4 1305 B16R1.959 CCOC(=O)c1cnccc1SCC(=O)N 62a_100000747473_100016987518 [0,0,0,0,0,2|2,0,0]=4 1306 B16R1.959 CCOC(=O)c1cnccc1SCC(=O)[O-] 62a_100020667443_100016987518 [0,0,0,0,0,2|1,0,1]=4 1307 B16R1.959 CCOC(=O)c1ncccc1OCC(=O)N 7a_200011376064_100000187820 [0,0,0,0,0,2|2,0,0]=4 1308 B16R1.959 CCOC(=O)c1ncccc1SCC(=O)N 62a_100000747473_100012351660 [0,0,0,0,0,2|2,0,0]=4 1309 B16R1.959 CCOC(=O)c1ncccc1SCC(=O)N 62a_100012351660_100000747473 [0,0,0,0,0,2|2,0,0]=4 1310 B16R1.959 CCOC(=O)c1ncccc1SCC(=O)[O-] 62a_100012351660_100020667443 [0,0,0,0,0,2|1,0,1]=4 1311 B16R1.959 CCOC(=O)c1ncccc1SCC(=O)[O-] 62a_100020667443_100012351660 [0,0,0,0,0,2|1,0,1]=4 1312 B16R1.1554 CCCC(=O)Nc1ccccc1NC(=O)C 11a_100011193560_100000211992 [0,0,0,0,0,2|2,0,0]=4 1313 B16R1.1554 CCCC(=O)Nc1ccccc1NC(=O)C 1626a_100011193560_100000211992 [0,0,0,0,0,2|2,0,0]=4 1314 B16R1.1554 CCCC(=O)Nc1ccccc1NC(=O)C 22a_100011193560_100000211992 [0,0,0,0,0,2|2,0,0]=4 1315 B16R1.1554 CCNC(=O)Nc1ccccc1NC(=O)C 2430a_100011193560_100015525214 [0,0,0,0,0,2|2,0,0]=4 1316 B16R1.1554 CCOC(=O)Cc1ccccc1C=C(C)C 271570a_100102525489_100011218996 [0,0,0,0,0,2|2,0,0]=4 1317 B16R1.1554 CCOC(=O)Cc1ccccc1NC(=O)C 188690a_100000755671_100015343762 [0,0,0,0,0,2|1,0,0]=3 1318 B16R1.4440 C=C(C)c1ccccc1/C=C/C(=O)OCC 271570a_100000694244_100016317929 [0,0,0,0,0,2|2,0,0]=4 1319 B16R1.4440 C=C(C)c1ccccc1CCC(=O)OCC 271570a_100000694244_100009815309 [0,0,0,0,0,2|2,0,0]=4 1320 B16R1.4440 C=C(C)c1ccccc1NCC(=O)OCC 34a_100000037685_100000188475 [0,0,0,0,0,2|2,0,0]=4 1321 B16R1.4440 C=C(C)c1ccccc1OCC(=O)OCC 271570a_100000694244_100000174061 [0,0,0,0,0,2|2,0,0]=4 1322 B16R1.4440 C=COC(=O)CSc1ccccc1C(=O)O 62a_100000036128_100000734275 [0,0,0,0,0,2|0,0,2]=4 1323 B16R1.4440 C=COC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000036128 [0,0,0,0,0,2|0,0,2]=4 1324 B16R1.4440 CCCC(=O)COc1ccccc1C(=O)N 1458a_100000182327_100000210303 [0,0,0,0,0,2|2,0,0]=4 1325 B16R1.4440 CCCC(=O)COc1ccccc1C(=O)N 7a_100000192804_100000747444 [0,0,0,0,0,2|2,0,0]=4 1326 B16R1.4440 CCCC(=O)COc1ccccc1C(=O)[O-] 7a_100015234032_100000747444 [0,0,0,0,0,2|1,0,1]=4 1327 B16R1.4440 CCCC(=O)CSc1ccccc1C(=O)C 62a_100000751169_100000747444 [0,0,0,0,0,2|2,0,0]=4 1328 B16R1.4440 CCCC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000747444 [0,0,0,0,0,2|2,0,0]=4 1329 B16R1.4440 CCCC(=O)CSc1ccccc1C(=O)N 62a_100000747444_100000162227 [0,0,0,0,0,2|2,0,0]=4 1330 B16R1.4440 CCCC(=O)CSc1ccccc1C(=O)O 62a_100000747444_100000734275 [0,0,0,0,0,2|1,0,0]=3 1331 B16R1.4440 CCCC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747444 [0,0,0,0,0,2|1,0,0]=3 1332 B16R1.4440 CCNC(=O)CNc1ccccc1C(=O)N 34a_100000185089_100000183381 [0,0,0,0,0,2|2,0,0]=4 1333 B16R1.4440 CCNC(=O)COc1ccccc1C(=O)N 240690a_100015525214_100000182327 [0,0,0,0,0,2|2,0,0]=4 1334 B16R1.4440 CCNC(=O)COc1ccccc1C(=O)N 34a_100000192804_100000183381 [0,0,0,0,0,2|2,0,0]=4 1335 B16R1.4440 CCNC(=O)COc1ccccc1C(=O)N 7a_100000192804_100000183381 [0,0,0,0,0,2|2,0,0]=4 1336 B16R1.4440 CCNC(=O)COc1ccccc1C(=O)[O-] 7a_100015234032_100000183381 [0,0,0,0,0,2|1,0,1]=4 1337 B16R1.4440 CCNC(=O)CSc1ccccc1C(=O)C 62a_100000751169_100000183381 [0,0,0,0,0,2|2,0,0]=4 1338 B16R1.4440 CCNC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000183381 [0,0,0,0,0,2|2,0,0]=4 1339 B16R1.4440 CCNC(=O)CSc1ccccc1C(=O)N 62a_100000183381_100000162227 [0,0,0,0,0,2|2,0,0]=4 1340 B16R1.4440 CCNC(=O)CSc1ccccc1C(=O)O 62a_100000183381_100000734275 [0,0,0,0,0,2|1,0,0]=3 1341 B16R1.4440 CCNC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000183381 [0,0,0,0,0,2|1,0,0]=3 1342 B16R1.4440 CCOC(=O)C=Cc1ccccc1B(O)O 271570a_100010199719_100000693059 [0,0,0,0,0,2|1,0,1]=4 1343 B16R1.4440 CCOC(=O)C=Cc1ccccc1C(=O)C 271570a_100010199719_100000751169 [0,0,0,0,0,2|1,0,0]=3 1344 B16R1.4440 CCOC(=O)C=Cc1ccccc1C(=O)N 271570a_100010199719_100000162227 [0,0,0,0,0,2|1,0,0]=3 1345 B16R1.4440 CCOC(=O)C=Cc1ccccc1C(C)O 271570a_100010199719_100000702211 [0,0,0,0,0,2|1,0,1]=4 1346 B16R1.4440 CCOC(=O)C=Cc1ccccc1S(=O)C 271570a_100010199719_100000734199 [0,0,0,0,0,2|2,0,0]=4 1347 B16R1.4440 CCOC(=O)C=Cc1cccnc1C(=O)C 271570a_100010199719_100012348690 [0,0,0,0,0,2|2,0,0]=4 1348 B16R1.4440 CCOC(=O)C=Cc1cccnc1C(=O)N 271570a_100010199719_200012359670 [0,0,0,0,0,2|2,0,0]=4 1349 B16R1.4440 CCOC(=O)C=Cc1ccncc1C(=O)C 271570a_100010199719_100160469449 [0,0,0,0,0,2|2,0,0]=4 1350 B16R1.4440 CCOC(=O)C=Cc1ccncc1C(=O)N 271570a_100010199719_100000697804 [0,0,0,0,0,2|2,0,0]=4 1351 B16R1.4440 CCOC(=O)C=Cc1cnccc1C(=O)C 271570a_100010199719_100009993184 [0,0,0,0,0,2|2,0,0]=4 1352 B16R1.4440 CCOC(=O)C=Cc1cnccc1C(=O)N 271570a_100010199719_100010205435 [0,0,0,0,0,2|2,0,0]=4 1353 B16R1.4440 CCOC(=O)C=Cc1ncccc1C(=O)C 271570a_100010199719_100000753718 [0,0,0,0,0,2|2,0,0]=4 1354 B16R1.4440 CCOC(=O)C=Cc1ncccc1C(=O)N 271570a_100010199719_100000162199 [0,0,0,0,0,2|2,0,0]=4 1355 B16R1.4440 CCOC(=O)CNc1ccccc1C(=O)N 34a_100000185089_100000188475 [0,0,0,0,0,2|1,0,0]=3 1356 B16R1.4440 CCOC(=O)CNc1ccccc1C(C)O 2230a_100011405641_100000188475 [0,0,0,0,0,2|1,0,1]=4 1357 B16R1.4440 CCOC(=O)COc1ccccc1C(=O)N 34a_100000192804_100000188475 [0,0,0,0,0,2|1,0,0]=3 1358 B16R1.4440 CCOC(=O)COc1ccccc1C(=O)N 7a_100000192804_100000188475 [0,0,0,0,0,2|1,0,0]=3 1359 B16R1.4440 CCOC(=O)COc1ccccc1C(=O)[O-] 7a_100015234032_100000188475 [0,0,0,0,0,2|0,0,1]=3 1360 B16R1.4440 CCOC(=O)COc1ccccc1C(=S)N 7a_100000745089_100000188475 [0,0,0,0,0,2|1,1,0]=4 1361 B16R1.4440 CCOC(=O)COc1ccccc1C(C)O 34a_200011232679_100000188475 [0,0,0,0,0,2|1,0,1]=4 1362 B16R1.4440 CCOC(=O)COc1ccccc1C(C)O 7a_200011232679_100000188475 [0,0,0,0,0,2|1,0,1]=4 1363 B16R1.4440 CCOC(=O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100000188475 [0,0,0,0,0,2|1,0,1]=4 1364 B16R1.4440 CCOC(=O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100000188475 [0,0,0,0,0,2|1,0,1]=4 1365 B16R1.4440 CCOC(=O)COc1cccnc1C(=O)C 34a_100000087166_100000188475 [0,0,0,0,0,2|2,0,0]=4 1366 B16R1.4440 CCOC(=O)COc1cccnc1C(=O)C 7a_100000087166_100000188475 [0,0,0,0,0,2|2,0,0]=4 1367 B16R1.4440 CCOC(=O)COc1cccnc1C(=O)N 34a_200011215183_100000188475 [0,0,0,0,0,2|2,0,0]=4 1368 B16R1.4440 CCOC(=O)COc1cccnc1C(=O)N 7a_200011215183_100000188475 [0,0,0,0,0,2|2,0,0]=4 1369 B16R1.4440 CCOC(=O)COc1ccncc1C(=O)N 34a_200011998761_100000188475 [0,0,0,0,0,2|2,0,0]=4 1370 B16R1.4440 CCOC(=O)COc1cnccc1C(=O)C 7a_100009872882_100000188475 [0,0,0,0,0,2|2,0,0]=4 1371 B16R1.4440 CCOC(=O)COc1cnccc1C(=O)N 7a_100012022987_100000188475 [0,0,0,0,0,2|2,0,0]=4 1372 B16R1.4440 CCOC(=O)CSc1ccccc1B(O)O 62a_100000188475_100000693059 [0,0,0,0,0,2|1,0,1]=4 1373 B16R1.4440 CCOC(=O)CSc1ccccc1B(O)O 62a_100000693059_100000188475 [0,0,0,0,0,2|1,0,1]=4 1374 B16R1.4440 CCOC(=O)CSc1ccccc1C(=O)C 62a_100000751169_100000188475 [0,0,0,0,0,2|1,0,0]=3 1375 B16R1.4440 CCOC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000188475 [0,0,0,0,0,2|1,0,0]=3 1376 B16R1.4440 CCOC(=O)CSc1ccccc1C(=O)N 62a_100000188475_100000162227 [0,0,0,0,0,2|1,0,0]=3 1377 B16R1.4440 CCOC(=O)CSc1ccccc1C(=O)O 62a_100000188475_100000734275 [0,0,0,0,0,2|0,0,0]=2 1378 B16R1.4440 CCOC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000188475 [0,0,0,0,0,2|0,0,0]=2 1379 B16R1.4440 CCOC(=O)CSc1ccccc1C(C)O 62a_100000188475_100000702211 [0,0,0,0,0,2|1,0,1]=4 1380 B16R1.4440 CCOC(=O)CSc1ccccc1C(C)O 62a_100000702211_100000188475 [0,0,0,0,0,2|1,0,1]=4 1381 B16R1.4440 CCOC(=O)CSc1ccccc1S(=O)C 62a_100000734199_100000188475 [0,0,0,0,0,2|2,0,0]=4 1382 B16R1.4440 CCOC(=O)CSc1cccnc1C(=O)C 62a_100000188475_100012348690 [0,0,0,0,0,2|2,0,0]=4 1383 B16R1.4440 CCOC(=O)CSc1cccnc1C(=O)C 62a_100012348690_100000188475 [0,0,0,0,0,2|2,0,0]=4 1384 B16R1.4440 CCOC(=O)CSc1cccnc1C(=O)N 62a_100000188475_200012359670 [0,0,0,0,0,2|2,0,0]=4 1385 B16R1.4440 CCOC(=O)CSc1cccnc1C(=O)N 62a_200012359670_100000188475 [0,0,0,0,0,2|2,0,0]=4 1386 B16R1.4440 CCOC(=O)CSc1ccncc1C(=O)C 62a_100000188475_100160469449 [0,0,0,0,0,2|2,0,0]=4 1387 B16R1.4440 CCOC(=O)CSc1ccncc1C(=O)C 62a_100160469449_100000188475 [0,0,0,0,0,2|2,0,0]=4 1388 B16R1.4440 CCOC(=O)CSc1ccncc1C(=O)N 62a_100000188475_100000697804 [0,0,0,0,0,2|2,0,0]=4 1389 B16R1.4440 CCOC(=O)CSc1ccncc1C(=O)N 62a_100000697804_100000188475 [0,0,0,0,0,2|2,0,0]=4 1390 B16R1.4440 CCOC(=O)CSc1cnccc1C(=O)C 62a_100000188475_100009993184 [0,0,0,0,0,2|2,0,0]=4 1391 B16R1.4440 CCOC(=O)CSc1cnccc1C(=O)C 62a_100009993184_100000188475 [0,0,0,0,0,2|2,0,0]=4 1392 B16R1.4440 CCOC(=O)CSc1cnccc1C(=O)N 62a_100000188475_100010205435 [0,0,0,0,0,2|2,0,0]=4 1393 B16R1.4440 CCOC(=O)CSc1cnccc1C(=O)N 62a_100010205435_100000188475 [0,0,0,0,0,2|2,0,0]=4 1394 B16R1.4440 CCOC(=O)CSc1ncccc1C(=O)C 62a_100000188475_100000753718 [0,0,0,0,0,2|2,0,0]=4 1395 B16R1.4440 CCOC(=O)CSc1ncccc1C(=O)C 62a_100000753718_100000188475 [0,0,0,0,0,2|2,0,0]=4 1396 B16R1.4440 CCOC(=O)CSc1ncccc1C(=O)N 62a_100000162199_100000188475 [0,0,0,0,0,2|2,0,0]=4 1397 B16R1.4440 CCOC(=O)CSc1ncccc1C(=O)N 62a_100000188475_100000162199 [0,0,0,0,0,2|2,0,0]=4 1398 B16R1.4440 O=C(CSc1ccccc1C(=O)O)NCO 62a_100000185155_100000734275 [0,0,0,0,0,2|2,0,0]=4 1399 B16R1.4440 O=C(CSc1ccccc1C(=O)O)NCO 62a_202125556159_100000185155 [0,0,0,0,0,2|2,0,0]=4