0 B11R1.34 C=C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100015277604_100000015670 [0,0,0,0,0,0|0,1,3]=4 1 B11R1.34 CC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016259895_100000015670 [0,0,0,0,0,0|0,1,2]=3 2 B11R1.34 CC=Cc1cc([nH]c(=O)c1)C 271570a_100016259895_100009861981 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.34 CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100015525214_100000015670 [0,0,0,0,0,0|1,1,0]=2 4 B11R1.34 CCNc1cc([nH]c(=O)c1)C 27a_100015525214_100009861981 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.34 CCNc1nc(=O)cc([nH]1)N 27a_100015525214_100000101444 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.34 CCOc1cc(=O)cc(o1)C 34a_100016989201_100000210202 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.34 CCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000210202 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.34 CCOc1cc(oc(=O)c1)C 34a_100000210952_100000210202 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.34 CCOc1cc(oc(=O)c1)C 7a_100000210952_100000210202 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.34 CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210202_100000015670 [0,0,0,0,0,0|1,1,0]=2 11 B11R1.34 CCSc1cc([nH]c(=O)c1)C 62a_100000210202_100009861981 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.34 CCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210202 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.34 CCSc1nc(=O)cc([nH]1)N 62a_100000101444_100000210202 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.34 CCSc1nc(=O)cc([nH]1)N 62a_100000210202_100000101444 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.34 CNCc1cc(=O)[nH]c(n1)O 2230a_106832991635_100000185147 [0,0,0,0,0,0|1,1,1]=3 16 B11R1.34 CNCc1cc(=O)[nH]c(n1)O 34a_100102657272_100000185147 [0,0,0,0,0,0|1,1,1]=3 17 B11R1.34 CNCc1cc(=O)[nH]c(n1)O 7a_106832991635_100000185147 [0,0,0,0,0,0|1,1,1]=3 18 B11R1.34 COCc1cc(=O)[nH]c(n1)O 34a_100138415774_100000185147 [0,0,0,0,0,0|1,1,1]=3 19 B11R1.34 CSCc1cc(=O)[nH]c(n1)O 62a_200000210301_100000185147 [0,0,0,0,0,0|1,1,1]=3 20 B11R1.34 Cc1cc(cc(=O)[nH]1)OCF 34a_100000039070_100015361967 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.34 Cc1cc(cc(=O)[nH]1)SCF 62a_100009861981_100015361967 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.34 Cc1cc(cc(=O)[nH]1)SCF 62a_100015361967_100009861981 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.34 O=c1cc([nH]c(=O)[nH]1)SCF 62a_100015361967_100000015670 [0,0,0,0,0,0|2,1,0]=3 24 B11R1.34 [13CH3]SCc1cc(=O)[nH]c(n1)O 62a_200025704644_100000185147 [0,0,0,0,0,0|1,1,1]=3 25 B10R1.8 C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100011290941_100000015670 [1,0,0,0,0,0|0,1,2]=4 26 B10R1.8 CNc1cc(=O)[nH]c(=O)[nH]1 27a_100102657272_100000015670 [1,0,0,0,0,0|1,1,0]=3 27 B10R1.8 CNc1cc([nH]c(=O)c1)C 27a_100102657272_100009861981 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.8 COc1cc([nH]c(=O)c1)C 34a_100000039070_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.8 CSc1cc(=O)[nH]c(=O)[nH]1 62a_200000210301_100000015670 [1,0,0,0,0,0|1,1,0]=3 30 B10R1.8 CSc1cc([nH]c(=O)c1)C 62a_100009861981_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.8 CSc1cc([nH]c(=O)c1)C 62a_200000210301_100009861981 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.8 Cc1cc(cc(=O)[nH]1)O[13CH3] 34a_100000039070_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.8 Cc1cc(cc(=O)[nH]1)S[13CH3] 62a_100009861981_200025704644 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.8 Cc1cc(cc(=O)[nH]1)S[13CH3] 62a_200025704644_100009861981 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.8 [13CH3]Sc1cc(=O)[nH]c(=O)[nH]1 62a_200025704644_100000015670 [1,0,0,0,0,0|1,1,0]=3 36 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.10 CCNc1cc[nH]c(=O)c1 27a_100015525214_100000061649 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.10 CCNc1cc[nH]c(=O)n1 27a_100015525214_200000134032 [1,0,0,0,0,0|1,1,1]=4 40 B10R1.10 CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210202 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,0,0,0,0,0|2,1,0]=4 42 B10R1.10 CCSc1cc(=O)[nH]cn1 62a_100012002517_100000210202 [1,0,0,0,0,0|1,0,1]=3 43 B10R1.10 CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210202 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.10 CCSc1cc[nH]c(=O)c1 62a_100000210202_100009816521 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.10 CCSc1cc[nH]c(=O)c1 62a_100009816521_100000210202 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.10 CCSc1cc[nH]c(=O)n1 62a_100000210202_200000134032 [1,0,0,0,0,0|1,1,1]=4 47 B10R1.10 CCSc1cccc(=O)[nH]1 62a_100000210202_100000752884 [1,0,0,0,0,0|2,1,0]=4 48 B10R1.10 CCSc1cn[nH]c(=O)c1 62a_100000210202_100010197405 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.10 CNCc1cccc(=O)[nH]1 207a_100102657272_100011935257 [1,0,0,0,0,0|2,1,0]=4 50 B10R1.10 CNCc1cccc(=O)[nH]1 2230a_100000696482_200000210301 [1,0,0,0,0,0|2,1,0]=4 51 B10R1.10 O=c1cc(cc[nH]1)OCF 34a_100000032262_100015361967 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.10 O=c1cc(cc[nH]1)SCF 62a_100009816521_100015361967 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.10 O=c1cc(cc[nH]1)SCF 62a_100015361967_100009816521 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.10 O=c1cc(nc[nH]1)SCF 62a_100012002517_100015361967 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.10 O=c1cc[nH]c(c1)SCF 62a_100009817434_100015361967 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.10 [13CH3]NCc1cccc(=O)[nH]1 2230a_100000696482_200025704644 [1,0,0,0,0,0|2,1,0]=4 57 B12R1.40 CC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016259895_200009866310 [0,1,0,0,0,0|0,1,2]=4 58 B12R1.40 CC=Cc1cc(=O)[nH]c(=O)n1C 271570a_100016259895_100000093302 [0,1,0,0,0,0|0,1,2]=4 59 B12R1.40 CCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100015525214_200009866310 [0,1,0,0,0,0|1,1,0]=3 60 B12R1.40 CCNc1[nH]c(nc(=O)c1F)C 27a_100015525214_100010274585 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.40 CCNc1cc(=O)[nH]c(=O)n1C 27a_100015525214_100000093302 [0,1,0,0,0,0|1,1,0]=3 62 B12R1.40 CCOc1cc(=O)[nH]c(c1C)C 34a_200000102741_100000210202 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.40 CCOc1cc(=O)[nH]c(c1C)C 7a_200000102741_100000210202 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.40 CCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100000210202 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.40 CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210202_200009866310 [0,1,0,0,0,0|1,1,0]=3 66 B12R1.40 CCSc1[nH]c(nc(=O)c1F)C 62a_100000210202_100010274585 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.40 CCSc1[nH]c(nc(=O)c1F)C 62a_100010274585_100000210202 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.40 CCSc1cc(=O)[nH]c(=O)n1C 62a_100000210202_100000093302 [0,1,0,0,0,0|1,1,0]=3 69 B12R1.40 CNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_106832991635_200000042301 [0,1,0,0,0,0|1,1,0]=3 70 B12R1.40 CNCc1[nH]c(=O)[nH]c(=O)c1Cl 7a_106832991635_200000042301 [0,1,0,0,0,0|1,1,0]=3 71 B12R1.40 CSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_200000210301_200000042301 [0,1,0,0,0,0|1,1,0]=3 72 B12R1.40 Cc1c([nH]c(=O)[nH]c1=O)SCF 62a_100015361967_200009866310 [0,1,0,0,0,0|2,1,0]=4 73 B12R1.40 Cn1c(cc(=O)[nH]c1=O)SCF 62a_100015361967_100000093302 [0,1,0,0,0,0|2,1,0]=4 74 B12R1.40 [13CH3]SCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_200025704644_200000042301 [0,1,0,0,0,0|1,1,0]=3 75 B12R1.41 CNCc1cc(=O)nc([nH]1)SC 2230a_106832991635_100000016186 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.41 CNCc1cc(=O)nc([nH]1)SC 7a_106832991635_100000016186 [0,1,0,0,0,0|1,0,2]=4 77 B12R1.41 CSCc1cc(=O)nc([nH]1)SC 62a_100000016186_200000210301 [0,1,0,0,0,0|1,0,2]=4 78 B12R1.41 CSCc1cc(=O)nc([nH]1)SC 62a_200000210301_100000016186 [0,1,0,0,0,0|1,0,2]=4 79 B12R1.41 CSc1nc(=O)cc([nH]1)CS[13CH3] 62a_100000016186_200025704644 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.41 CSc1nc(=O)cc([nH]1)CS[13CH3] 62a_200025704644_100000016186 [0,1,0,0,0,0|1,0,2]=4 81 B12R1.44 CC=Cc1cc(=O)n(c(=O)[nH]1)C 271570a_100016259895_100000723047 [0,1,0,0,0,0|0,1,2]=4 82 B12R1.44 CCNc1cc(=O)n(c(=O)[nH]1)C 27a_100015525214_100000723047 [0,1,0,0,0,0|1,1,0]=3 83 B12R1.44 CCOc1cc(n(c(=O)c1)C)C 34a_100000075388_100000210202 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.44 CCSc1cc(=O)n(c(=O)[nH]1)C 62a_100000210202_100000723047 [0,1,0,0,0,0|1,1,0]=3 85 B12R1.44 CCSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100000210202 [0,1,0,0,0,0|1,1,0]=3 86 B12R1.44 Cn1c(=O)cc([nH]c1=O)SCF 62a_100000723047_100015361967 [0,1,0,0,0,0|2,1,0]=4 87 B12R1.44 Cn1c(=O)cc([nH]c1=O)SCF 62a_100015361967_100000723047 [0,1,0,0,0,0|2,1,0]=4 88 B12R1.100 C#CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000212058_100000015670 [0,1,0,0,0,0|0,1,2]=4 89 B12R1.100 C#CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000038162_100000015670 [0,1,0,0,0,0|0,1,2]=4 90 B12R1.100 C=CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100020586998_100000015670 [0,1,0,0,0,0|0,1,2]=4 91 B12R1.100 C=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210623_100000015670 [0,1,0,0,0,0|0,1,2]=4 92 B12R1.100 CC=NNc1cc(=O)[nH]c(=O)[nH]1 4a_100000014984_200000210099 [0,1,0,0,0,0|1,1,1]=4 93 B12R1.100 CCCCc1cc(=O)[nH]c(=O)[nH]1 271570a_100020621405_100000015670 [0,1,0,0,0,0|0,1,0]=2 94 B12R1.100 CCCCc1cc([nH]c(=O)c1)C 271570a_100020621405_100009861981 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.100 CCCOc1cc(=O)cc(o1)C 34a_100016989201_100000210303 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.100 CCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000210303 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.100 CCCOc1cc(oc(=O)c1)C 34a_100000210952_100000210303 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.100 CCCOc1cc(oc(=O)c1)C 7a_100000210952_100000210303 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.100 CCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210303_100000015670 [0,1,0,0,0,0|0,1,0]=2 100 B12R1.100 CCCSc1cc([nH]c(=O)c1)C 62a_100000210303_100009861981 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.100 CCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210303 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.100 CCCSc1nc(=O)cc([nH]1)N 62a_100000101444_100000210303 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.100 CCCSc1nc(=O)cc([nH]1)N 62a_100000210303_100000101444 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.100 CCNCc1cc(=O)[nH]c(n1)O 2230a_100015525214_100000185147 [0,1,0,0,0,0|0,1,1]=3 105 B12R1.100 CCOCc1cc(=O)[nH]c(n1)O 34a_100121572206_100000185147 [0,1,0,0,0,0|0,1,1]=3 106 B12R1.100 CCSCc1cc(=O)[nH]c(n1)O 62a_100000210202_100000185147 [0,1,0,0,0,0|0,1,1]=3 107 B12R1.100 COCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000766300_100000015670 [0,1,0,0,0,0|1,1,0]=3 108 B12R1.100 COCSc1cc([nH]c(=O)c1)C 62a_100000766300_100009861981 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.100 COCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000766300 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.100 CSCOc1cc([nH]c(=O)c1)C 34a_100000039070_100011218213 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.100 CSCSc1cc(=O)[nH]c(=O)[nH]1 62a_100011218213_100000015670 [0,1,0,0,0,0|1,1,0]=3 112 B12R1.100 CSCSc1cc([nH]c(=O)c1)C 62a_100009861981_100011218213 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.100 CSCSc1cc([nH]c(=O)c1)C 62a_100011218213_100009861981 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.100 Cc1cc(cc(=O)[nH]1)NCCO 27a_100000210304_100009861981 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.100 Cc1cc(cc(=O)[nH]1)OCCF 34a_100000039070_100011217306 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.100 Cc1cc(cc(=O)[nH]1)OCCO 34a_100000039070_100000211926 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCF 62a_100009861981_100011217306 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCF 62a_100011217306_100009861981 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCO 62a_100000211926_100009861981 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCO 62a_100009861981_100000211926 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.100 N#CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100011215382_100000015670 [0,1,0,0,0,0|1,1,1]=4 122 B12R1.100 O=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_200015260668_100000015670 [0,1,0,0,0,0|1,1,1]=4 123 B12R1.100 O=c1cc([nH]c(=O)[nH]1)NCCO 27a_100000210304_100000015670 [0,1,0,0,0,0|1,1,0]=3 124 B12R1.100 O=c1cc([nH]c(=O)[nH]1)SCCF 62a_100011217306_100000015670 [0,1,0,0,0,0|1,1,0]=3 125 B12R1.100 O=c1cc([nH]c(=O)[nH]1)SCCO 62a_100000211926_100000015670 [0,1,0,0,0,0|1,1,0]=3 126 B12R1.100 O=c1cc(nc([nH]1)O)CSCF 62a_100015361967_100000185147 [0,1,0,0,0,0|1,1,1]=4 127 B12R1.101 CC(=Cc1cc(=O)[nH]c(=O)[nH]1)C 271570a_100102525489_100000015670 [0,1,0,0,0,0|0,1,2]=4 128 B12R1.101 CC(=O)Cc1cc(=O)[nH]c(n1)O 1458a_100000070787_100000185147 [0,1,0,0,0,0|0,1,2]=4 129 B12R1.101 CC(C)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100138425928_100000015670 [0,1,0,0,0,0|1,1,0]=3 130 B12R1.101 CC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100000210206_100000015670 [0,1,0,0,0,0|1,1,0]=3 131 B12R1.101 CN(C)Cc1cc(=O)[nH]c(n1)O 2230a_100102631434_100000185147 [0,1,0,0,0,0|1,1,1]=4 132 B12R1.101 CN(C)Cc1cc(=O)[nH]c(n1)O 269982a_100102631434_100000185147 [0,1,0,0,0,0|1,1,1]=4 133 B12R1.101 Cc1cc(cc(=O)[nH]1)NC(C)C 27a_100138425928_100009861981 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.101 Cc1cc(cc(=O)[nH]1)OC(C)C 34a_100000039070_100000210206 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.101 Cc1cc(cc(=O)[nH]1)SC(C)C 62a_100000210206_100009861981 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.101 Cc1cc(cc(=O)[nH]1)SC(C)C 62a_100009861981_100000210206 [0,1,0,0,0,0|3,0,0]=4 137 B10R0.2 C=CCC(=O)C=C(C)CCC 1458a_100020676950_100000210623 [0,0,1,0,0,0|3,0,0]=4 138 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,0,1,0,0,0|2,0,1]=4 139 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,0,1,0,0,0|2,0,1]=4 140 B10R0.2 CCCC(=CC(=O)NNC)C 22a_100016993582_100020676950 [0,0,1,0,0,0|3,0,0]=4 141 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,0,1,0,0,0|3,0,0]=4 142 B10R0.6 C=C(F)CC(=O)C=CCCC 1458a_100000212230_100009893438 [0,0,1,0,0,0|3,0,0]=4 143 B10R0.6 CCCC=CC(=O)CC(=O)N 1458a_100000212230_100000187820 [0,0,1,0,0,0|1,1,0]=3 144 B10R0.6 CCCC=CC(=O)CC(=O)[O-] 1458a_100000212230_100020667443 [0,0,1,0,0,0|2,1,0]=4 145 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,0,1,0,0,0|2,0,1]=4 146 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,0,1,0,0,0|2,0,1]=4 147 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,0,1,0,0,0|2,0,1]=4 148 B10R0.6 CCCSCC(=O)NC(=O)N 62a_100000210303_100000182717 [0,0,1,0,0,0|1,1,1]=4 149 B10R0.6 CCOC=CC(=O)CC(=O)N 1458a_100016266692_100000187820 [0,0,1,0,0,0|2,1,0]=4 150 B10R0.6 COCC=CC(=O)CC(=O)N 1458a_100016285016_100000187820 [0,0,1,0,0,0|2,1,0]=4 151 B12R2.2294 Cc1cc(cc(=O)[nH]1)C2CC2 271570a_100011220607_100009861981 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.2294 O=c1cc([nH]c(=O)[nH]1)C2CC2 271570a_100011220607_100000015670 [0,0,0,1,0,0|0,1,0]=2 153 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [1,0,1,0,0,0|2,0,0]=4 154 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,1,0,0,0|1,0,1]=4 155 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,1,0,0,0|1,0,1]=4 156 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [1,0,1,0,0,0|2,0,0]=4 157 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [1,0,1,0,0,0|1,0,1]=4 158 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [1,0,1,0,0,0|1,0,1]=4 159 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [1,0,1,0,0,0|1,0,1]=4 160 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [1,0,1,0,0,0|1,1,0]=4 161 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.2 CSc1cc(=O)[nH]cn1 62a_100012002517_200000210301 [2,0,0,0,0,0|1,0,1]=4 164 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.2 [13CH3]Sc1cc(=O)[nH]cn1 62a_100012002517_200025704644 [2,0,0,0,0,0|1,0,1]=4 169 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.34 O=c1cc([nH]c(=O)[nH]1)O 271570a_203496583355_100000015670 [2,0,0,0,0,0|1,1,0]=4 173 B11R0.5 C=CCNC(=O)C=C(C)CCC 1626a_100020586998_100020676950 [0,1,1,0,0,0|2,0,0]=4 174 B11R0.5 C=CCNC(=O)C=C(C)CCC 240690a_100020586998_100020676950 [0,1,1,0,0,0|2,0,0]=4 175 B11R0.2 CCC/C=C/CC(=O)CC(=O)N 1458a_200016266809_100000187820 [0,1,1,0,0,0|1,1,0]=4 176 B11R0.2 CCCCC=CC(=O)CC(=O)N 1458a_100016266645_100000187820 [0,1,1,0,0,0|1,1,0]=4 177 B11R0.68 CCC/C=C(\C)/C(=O)CC(=O)N 1458a_200020648666_100000187820 [0,1,1,0,0,0|1,1,0]=4 178 B11R0.139 CCCC=CC(=O)C(C)C(=O)N 1458a_100000212230_100000702099 [0,1,1,0,0,0|1,1,0]=4 179 B11R0.139 CCCC=CC(=O)C(F)C(=O)N 1458a_100000212230_100009813875 [0,1,1,0,0,0|1,1,0]=4 180 B11R0.154 CCCC=CC(=O)CC(=O)NC 1458a_100000212230_100000183359 [0,1,1,0,0,0|1,1,0]=4 181 B11R1.8 CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100102657272_200009866310 [1,1,0,0,0,0|1,1,0]=4 182 B11R1.8 CNc1cc(=O)[nH]c(=O)n1C 27a_100102657272_100000093302 [1,1,0,0,0,0|1,1,0]=4 183 B11R1.8 CSc1[nH]c(=O)[nH]c(=O)c1C 62a_200000210301_200009866310 [1,1,0,0,0,0|1,1,0]=4 184 B11R1.8 CSc1cc(=O)[nH]c(=O)n1C 62a_200000210301_100000093302 [1,1,0,0,0,0|1,1,0]=4 185 B11R1.8 Cc1c([nH]c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_200009866310 [1,1,0,0,0,0|1,1,0]=4 186 B11R1.8 Cn1c(cc(=O)[nH]c1=O)S[13CH3] 62a_200025704644_100000093302 [1,1,0,0,0,0|1,1,0]=4 187 B11R1.14 CNc1cc(=O)n(c(=O)[nH]1)C 27a_100102657272_100000723047 [1,1,0,0,0,0|1,1,0]=4 188 B11R1.14 CSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_200000210301 [1,1,0,0,0,0|1,1,0]=4 189 B11R1.14 CSc1cc(=O)n(c(=O)[nH]1)C 62a_200000210301_100000723047 [1,1,0,0,0,0|1,1,0]=4 190 B11R1.14 Cn1c(=O)cc([nH]c1=O)S[13CH3] 62a_100000723047_200025704644 [1,1,0,0,0,0|1,1,0]=4 191 B11R1.14 Cn1c(=O)cc([nH]c1=O)S[13CH3] 62a_200025704644_100000723047 [1,1,0,0,0,0|1,1,0]=4 192 B11R1.74 C=C(C)c1cc(=O)[nH]c(=O)[nH]1 271570a_100000694244_100000015670 [1,1,0,0,0,0|0,1,1]=4 193 B11R1.74 CN(C)c1cc(=O)[nH]c(=O)[nH]1 27a_100102631434_100000015670 [1,1,0,0,0,0|1,1,0]=4 194 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [1,1,0,0,0,0|0,1,1]=4 196 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,1,0,0,0,0|1,1,0]=4 197 B11R1.24 CCCCc1cn[nH]c(=O)c1 271570a_100020621405_100010197405 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.24 CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210303 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [1,1,0,0,0,0|1,1,0]=4 200 B11R1.24 CCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210303 [1,1,0,0,0,0|0,0,1]=3 201 B11R1.24 CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210303 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100000210303_100009816521 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210303 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.24 CCCSc1cc[nH]c(=O)n1 62a_100000210303_200000134032 [1,1,0,0,0,0|0,1,1]=4 205 B11R1.24 CCCSc1cccc(=O)[nH]1 62a_100000210303_100000752884 [1,1,0,0,0,0|1,1,0]=4 206 B11R1.24 CCCSc1cn[nH]c(=O)c1 62a_100000210303_100010197405 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.24 CCNCc1cccc(=O)[nH]1 207a_100015525214_100011935257 [1,1,0,0,0,0|1,1,0]=4 208 B11R1.24 CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210202 [1,1,0,0,0,0|1,1,0]=4 209 B11R1.24 COCSc1cc(=O)[nH]cn1 62a_100012002517_100000766300 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.24 COCSc1cc(=O)cc[nH]1 62a_100009817434_100000766300 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.24 COCSc1cc[nH]c(=O)c1 62a_100000766300_100009816521 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.24 COCSc1cc[nH]c(=O)c1 62a_100009816521_100000766300 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.24 CSCOc1cc[nH]c(=O)c1 34a_100000032262_100011218213 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.24 CSCSc1cc(=O)[nH]cn1 62a_100012002517_100011218213 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.24 CSCSc1cc(=O)cc[nH]1 62a_100009817434_100011218213 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.24 CSCSc1cc[nH]c(=O)c1 62a_100009816521_100011218213 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.24 CSCSc1cc[nH]c(=O)c1 62a_100011218213_100009816521 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.24 O=c1cc(cc[nH]1)NCCO 27a_100000210304_100000061649 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.24 O=c1cc(cc[nH]1)OCCF 34a_100000032262_100011217306 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.24 O=c1cc(cc[nH]1)SCCF 62a_100009816521_100011217306 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.24 O=c1cc(cc[nH]1)SCCF 62a_100011217306_100009816521 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100000211926_100009816521 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100009816521_100000211926 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.24 O=c1cc(nc[nH]1)SCCF 62a_100012002517_100011217306 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.24 O=c1cc(nc[nH]1)SCCO 62a_100012002517_100000211926 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.24 O=c1cc[nH]c(c1)SCCF 62a_100009817434_100011217306 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.24 O=c1cc[nH]c(c1)SCCO 62a_100009817434_100000211926 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.157 CC(C)Nc1cc[nH]c(=O)c1 27a_100138425928_100000061649 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.157 CC(C)Oc1cc[nH]c(=O)c1 34a_100000032262_100000210206 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.157 CC(C)Sc1cc(=O)[nH]cn1 62a_100012002517_100000210206 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.157 CC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100000210206 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.157 CC(C)Sc1cc[nH]c(=O)c1 62a_100000210206_100009816521 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.157 CC(C)Sc1cc[nH]c(=O)c1 62a_100009816521_100000210206 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.182 CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210202 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.182 CCSc1cc(=O)[nH]cc1F 62a_100000210202_100009817642 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.182 CCSc1cc(=O)[nH]cc1F 62a_100009817642_100000210202 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.192 CCNc1cc(=O)n(cn1)C 27a_100015525214_100012179353 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.192 CCNc1ccn(c(=O)c1)C 27a_100015525214_100009820031 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.192 CCSc1cc(=O)n(cn1)C 62a_100000210202_100012179353 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.192 CCSc1cc(=O)n(cn1)C 62a_100012179353_100000210202 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.192 CCSc1ccn(c(=O)c1)C 62a_100000210202_100009820031 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.192 CCSc1ccn(c(=O)c1)C 62a_100009820031_100000210202 [1,1,0,0,0,0|2,0,0]=4 244 B13R1.32 CCNc1cc(=O)n(c(=O)n1C)C 27a_100015525214_100000034780 [0,2,0,0,0,0|1,1,0]=4 245 B13R1.32 CCSc1cc(=O)n(c(=O)n1C)C 62a_100000034780_100000210202 [0,2,0,0,0,0|1,1,0]=4 246 B13R1.32 CCSc1cc(=O)n(c(=O)n1C)C 62a_100000210202_100000034780 [0,2,0,0,0,0|1,1,0]=4 247 B13R1.32 CNCc1cc(=O)n(c(=O)n1C)C 2230a_100000241867_200000210301 [0,2,0,0,0,0|1,1,0]=4 248 B13R1.32 Cn1c(cc(=O)n(c1=O)C)CN[13CH3] 2230a_100000241867_200025704644 [0,2,0,0,0,0|1,1,0]=4 249 B13R1.123 CCCCc1[nH]c(=O)[nH]c(=O)c1C 271570a_100020621405_200009866310 [0,2,0,0,0,0|0,1,0]=3 250 B13R1.123 CCCCc1[nH]c(nc(=O)c1F)C 271570a_100020621405_100010274585 [0,2,0,0,0,0|1,0,1]=4 251 B13R1.123 CCCCc1cc(=O)[nH]c(=O)n1C 271570a_100020621405_100000093302 [0,2,0,0,0,0|0,1,0]=3 252 B13R1.123 CCCOc1cc(=O)[nH]c(c1C)C 34a_200000102741_100000210303 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.123 CCCOc1cc(=O)[nH]c(c1C)C 7a_200000102741_100000210303 [0,2,0,0,0,0|2,0,0]=4 254 B13R1.123 CCCOc1cc([nH]c(=O)c1C)C 34a_200000102746_100000210303 [0,2,0,0,0,0|2,0,0]=4 255 B13R1.123 CCCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210303_200009866310 [0,2,0,0,0,0|0,1,0]=3 256 B13R1.123 CCCSc1[nH]c(nc(=O)c1F)C 62a_100000210303_100010274585 [0,2,0,0,0,0|1,0,1]=4 257 B13R1.123 CCCSc1[nH]c(nc(=O)c1F)C 62a_100010274585_100000210303 [0,2,0,0,0,0|1,0,1]=4 258 B13R1.123 CCCSc1cc(=O)[nH]c(=O)n1C 62a_100000210303_100000093302 [0,2,0,0,0,0|0,1,0]=3 259 B13R1.123 CCNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100015525214_200000042301 [0,2,0,0,0,0|0,1,0]=3 260 B13R1.123 CCSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_100000210202_200000042301 [0,2,0,0,0,0|0,1,0]=3 261 B13R1.123 COCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000766300_200009866310 [0,2,0,0,0,0|1,1,0]=4 262 B13R1.123 COCSc1cc(=O)[nH]c(=O)n1C 62a_100000766300_100000093302 [0,2,0,0,0,0|1,1,0]=4 263 B13R1.123 CSCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100011218213_200009866310 [0,2,0,0,0,0|1,1,0]=4 264 B13R1.123 CSCSc1cc(=O)[nH]c(=O)n1C 62a_100011218213_100000093302 [0,2,0,0,0,0|1,1,0]=4 265 B13R1.123 Cc1c([nH]c(=O)[nH]c1=O)NCCO 27a_100000210304_200009866310 [0,2,0,0,0,0|1,1,0]=4 266 B13R1.123 Cc1c([nH]c(=O)[nH]c1=O)SCCF 62a_100011217306_200009866310 [0,2,0,0,0,0|1,1,0]=4 267 B13R1.123 Cc1c([nH]c(=O)[nH]c1=O)SCCO 62a_100000211926_200009866310 [0,2,0,0,0,0|1,1,0]=4 268 B13R1.123 Cn1c(cc(=O)[nH]c1=O)NCCO 27a_100000210304_100000093302 [0,2,0,0,0,0|1,1,0]=4 269 B13R1.123 Cn1c(cc(=O)[nH]c1=O)SCCF 62a_100011217306_100000093302 [0,2,0,0,0,0|1,1,0]=4 270 B13R1.123 Cn1c(cc(=O)[nH]c1=O)SCCO 62a_100000211926_100000093302 [0,2,0,0,0,0|1,1,0]=4 271 B13R1.123 O=c1[nH]c(c(c(=O)[nH]1)Cl)CSCF 62a_100015361967_200000042301 [0,2,0,0,0,0|1,1,0]=4 272 B13R1.2816 CC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000070787_200000042301 [0,2,0,0,0,0|0,1,1]=4 273 B13R1.2816 CC(C)Nc1cc(=O)[nH]c(=O)n1C 27a_100138425928_100000093302 [0,2,0,0,0,0|1,1,0]=4 274 B13R1.2816 CC(C)Sc1cc(=O)[nH]c(=O)n1C 62a_100000210206_100000093302 [0,2,0,0,0,0|1,1,0]=4 275 B13R1.2816 CN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100102631434_200000042301 [0,2,0,0,0,0|1,1,0]=4 276 B13R1.2816 CN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 269982a_100102631434_200000042301 [0,2,0,0,0,0|1,1,0]=4 277 B13R1.2816 Cc1c([nH]c(=O)[nH]c1=O)NC(C)C 27a_100138425928_200009866310 [0,2,0,0,0,0|1,1,0]=4 278 B13R1.2816 Cc1c([nH]c(=O)[nH]c1=O)SC(C)C 62a_100000210206_200009866310 [0,2,0,0,0,0|1,1,0]=4 279 B13R1.3980 CCSc1[nH]c(=O)[nH]c(=O)c1CC 62a_100000210202_100000080397 [0,2,0,0,0,0|1,1,0]=4 280 B13R1.124 CCNCc1cc(=O)nc([nH]1)SC 2230a_100015525214_100000016186 [0,2,0,0,0,0|0,0,2]=4 281 B13R1.124 CCSCc1cc(=O)nc([nH]1)SC 62a_100000016186_100000210202 [0,2,0,0,0,0|0,0,2]=4 282 B13R1.124 CCSCc1cc(=O)nc([nH]1)SC 62a_100000210202_100000016186 [0,2,0,0,0,0|0,0,2]=4 283 B13R1.136 CCCCc1cc(=O)n(c(=O)[nH]1)C 271570a_100020621405_100000723047 [0,2,0,0,0,0|0,1,0]=3 284 B13R1.136 CCCOc1cc(n(c(=O)c1)C)C 34a_100000075388_100000210303 [0,2,0,0,0,0|2,0,0]=4 285 B13R1.136 CCCSc1cc(=O)n(c(=O)[nH]1)C 62a_100000210303_100000723047 [0,2,0,0,0,0|0,1,0]=3 286 B13R1.136 CCCSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100000210303 [0,2,0,0,0,0|0,1,0]=3 287 B13R1.136 COCSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100000766300 [0,2,0,0,0,0|1,1,0]=4 288 B13R1.136 COCSc1cc(=O)n(c(=O)[nH]1)C 62a_100000766300_100000723047 [0,2,0,0,0,0|1,1,0]=4 289 B13R1.136 CSCSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100011218213 [0,2,0,0,0,0|1,1,0]=4 290 B13R1.136 CSCSc1cc(=O)n(c(=O)[nH]1)C 62a_100011218213_100000723047 [0,2,0,0,0,0|1,1,0]=4 291 B13R1.136 Cn1c(=O)cc([nH]c1=O)NCCO 27a_100000210304_100000723047 [0,2,0,0,0,0|1,1,0]=4 292 B13R1.136 Cn1c(=O)cc([nH]c1=O)SCCF 62a_100000723047_100011217306 [0,2,0,0,0,0|1,1,0]=4 293 B13R1.136 Cn1c(=O)cc([nH]c1=O)SCCF 62a_100011217306_100000723047 [0,2,0,0,0,0|1,1,0]=4 294 B13R1.136 Cn1c(=O)cc([nH]c1=O)SCCO 62a_100000211926_100000723047 [0,2,0,0,0,0|1,1,0]=4 295 B13R1.136 Cn1c(=O)cc([nH]c1=O)SCCO 62a_100000723047_100000211926 [0,2,0,0,0,0|1,1,0]=4 296 B13R1.3763 CC(C)Nc1cc(=O)n(c(=O)[nH]1)C 27a_100138425928_100000723047 [0,2,0,0,0,0|1,1,0]=4 297 B13R1.3763 CC(C)Sc1cc(=O)n(c(=O)[nH]1)C 62a_100000210206_100000723047 [0,2,0,0,0,0|1,1,0]=4 298 B13R1.3763 CC(C)Sc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100000210206 [0,2,0,0,0,0|1,1,0]=4 299 B13R1.55 C#CCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000755551_100000015670 [0,2,0,0,0,0|0,1,1]=4 300 B13R1.55 C#CCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000688953_100000015670 [0,2,0,0,0,0|0,1,1]=4 301 B13R1.55 C/C=C/CSc1cc(=O)[nH]c(=O)[nH]1 62a_100102629194_100000015670 [0,2,0,0,0,0|0,1,1]=4 302 B13R1.55 C=CCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100015191253_100000015670 [0,2,0,0,0,0|0,1,1]=4 303 B13R1.55 C=CCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000754431_100000015670 [0,2,0,0,0,0|0,1,1]=4 304 B13R1.55 CC#CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000685387_100000015670 [0,2,0,0,0,0|0,1,1]=4 305 B13R1.55 CC#CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000748600_100000015670 [0,2,0,0,0,0|0,1,1]=4 306 B13R1.55 CC=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000070051_100000015670 [0,2,0,0,0,0|0,1,1]=4 307 B13R1.55 CCC=NNc1cc(=O)[nH]c(=O)[nH]1 4a_100000014984_100000210100 [0,2,0,0,0,0|0,1,1]=4 308 B13R1.55 CCCC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016258520_100000015670 [0,2,0,0,0,0|0,1,0]=3 309 B13R1.55 CCCC=Cc1cc([nH]c(=O)c1)C 271570a_100016258520_100009861981 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.55 CCCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000102301_100000015670 [0,2,0,0,0,0|0,1,0]=3 311 B13R1.55 CCCCNc1cc([nH]c(=O)c1)C 27a_100000102301_100009861981 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.55 CCCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000210210 [0,2,0,0,0,0|2,0,0]=4 313 B13R1.55 CCCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210211_100000015670 [0,2,0,0,0,0|0,1,0]=3 314 B13R1.55 CCCCSc1cc([nH]c(=O)c1)C 62a_100000210211_100009861981 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.55 CCCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210210 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.55 CCCOCc1cc(=O)[nH]c(n1)O 34a_100000210258_100000185147 [0,2,0,0,0,0|0,1,1]=4 317 B13R1.55 CCCSCc1cc(=O)[nH]c(n1)O 62a_100000210303_100000185147 [0,2,0,0,0,0|0,1,1]=4 318 B13R1.55 CCOC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016256518_100000015670 [0,2,0,0,0,0|0,1,1]=4 319 B13R1.55 CCOCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000739092_100000015670 [0,2,0,0,0,0|0,1,0]=3 320 B13R1.55 CCOCSc1cc([nH]c(=O)c1)C 62a_100000739092_100009861981 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.55 CCOCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000739092 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.55 COCC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016286323_100000015670 [0,2,0,0,0,0|0,1,1]=4 323 B13R1.55 COCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000209980_100000015670 [0,2,0,0,0,0|0,1,0]=3 324 B13R1.55 COCCNc1cc([nH]c(=O)c1)C 27a_100000209980_100009861981 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.55 COCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100011201679 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.55 COCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000233755_100000015670 [0,2,0,0,0,0|0,1,0]=3 327 B13R1.55 COCCSc1cc([nH]c(=O)c1)C 62a_100000233755_100009861981 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.55 COCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000233755 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.55 COCSCc1cc(=O)[nH]c(n1)O 62a_100000766300_100000185147 [0,2,0,0,0,0|0,1,1]=4 330 B13R1.55 CSCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100020590264_100000015670 [0,2,0,0,0,0|0,1,0]=3 331 B13R1.55 CSCCNc1cc([nH]c(=O)c1)C 27a_100020590264_100009861981 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.55 CSCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000212216 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.55 CSCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000212216_100000015670 [0,2,0,0,0,0|0,1,0]=3 334 B13R1.55 CSCCSc1cc([nH]c(=O)c1)C 62a_100000212216_100009861981 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.55 CSCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000751147 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.55 CSCSCc1cc(=O)[nH]c(n1)O 62a_100011218213_100000185147 [0,2,0,0,0,0|0,1,1]=4 337 B13R1.55 Cc1cc(cc(=O)[nH]1)NCCCF 27a_100015189416_100009861981 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.55 Cc1cc(cc(=O)[nH]1)NCCCO 27a_100000182051_100009861981 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.55 Cc1cc(cc(=O)[nH]1)OCCCF 34a_100000039070_100011934791 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.55 Cc1cc(cc(=O)[nH]1)OCCCO 34a_100000039070_100000230001 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.55 Cc1cc(cc(=O)[nH]1)SCCCF 62a_100009861981_100011934791 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.55 Cc1cc(cc(=O)[nH]1)SCCCF 62a_100011934791_100009861981 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.55 Cc1cc(cc(=O)[nH]1)SCCCO 62a_100009861981_100011215043 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.55 Cc1cc(cc(=O)[nH]1)SCCCO 62a_100011215043_100009861981 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.55 N#CCCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000720768_100000015670 [0,2,0,0,0,0|0,1,1]=4 346 B13R1.55 N#CCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100011215226_100000015670 [0,2,0,0,0,0|0,1,1]=4 347 B13R1.55 NCCOCc1cc(=O)[nH]c(n1)O 34a_100000210304_100000185147 [0,2,0,0,0,0|0,1,1]=4 348 B13R1.55 O=c1cc([nH]c(=O)[nH]1)NCCCF 27a_100015189416_100000015670 [0,2,0,0,0,0|0,1,0]=3 349 B13R1.55 O=c1cc([nH]c(=O)[nH]1)NCCCO 27a_100000182051_100000015670 [0,2,0,0,0,0|0,1,0]=3 350 B13R1.55 O=c1cc([nH]c(=O)[nH]1)SCCCF 62a_100011934791_100000015670 [0,2,0,0,0,0|0,1,0]=3 351 B13R1.55 O=c1cc([nH]c(=O)[nH]1)SCCCO 62a_100011215043_100000015670 [0,2,0,0,0,0|0,1,0]=3 352 B13R1.55 O=c1cc(nc([nH]1)O)CNCCF 34a_100000724931_100000185147 [0,2,0,0,0,0|0,1,1]=4 353 B13R1.55 O=c1cc(nc([nH]1)O)CNCCO 2230a_100016997473_100000185147 [0,2,0,0,0,0|0,1,1]=4 354 B13R1.55 O=c1cc(nc([nH]1)O)CNCCO 34a_100016990907_100000185147 [0,2,0,0,0,0|0,1,1]=4 355 B13R1.55 O=c1cc(nc([nH]1)O)COCCBr 34a_100000211926_100000185147 [0,2,0,0,0,0|0,1,1]=4 356 B13R1.55 O=c1cc(nc([nH]1)O)CSCCF 62a_100011217306_100000185147 [0,2,0,0,0,0|0,1,1]=4 357 B13R1.55 O=c1cc(nc([nH]1)O)CSCCO 62a_100000211926_100000185147 [0,2,0,0,0,0|0,1,1]=4 358 B13R1.450 CCCN(C)c1cc(=O)[nH]c(=O)[nH]1 27a_100000747261_100000015670 [0,2,0,0,0,0|0,1,0]=3 359 B13R1.450 CCCN(C)c1cc([nH]c(=O)c1)C 27a_100000747261_100009861981 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.450 CN(CCO)c1cc(=O)[nH]c(=O)[nH]1 27a_100000210263_100000015670 [0,2,0,0,0,0|1,1,0]=4 361 B13R1.2874 C#CC(C)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100000707721_100000015670 [0,2,0,0,0,0|1,1,0]=4 362 B13R1.2874 C#CC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_200000035995_100000015670 [0,2,0,0,0,0|1,1,0]=4 363 B13R1.2874 C=CC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100011215867_100000015670 [0,2,0,0,0,0|1,1,0]=4 364 B13R1.2874 CC(C#N)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100000703298_100000015670 [0,2,0,0,0,0|1,1,0]=4 365 B13R1.2874 CC(CO)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100012180447_100000015670 [0,2,0,0,0,0|1,1,0]=4 366 B13R1.2874 CCC(=O)Cc1cc(=O)[nH]c(n1)O 1458a_100000210414_100000185147 [0,2,0,0,0,0|0,1,1]=4 367 B13R1.2874 CCC(C)Oc1cc([nH]c(=O)c1)C 34a_100000039070_100011215416 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.2874 CCC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100000758301_100000015670 [0,2,0,0,0,0|0,1,0]=3 369 B13R1.2874 CCC(C)Sc1cc([nH]c(=O)c1)C 62a_100000758301_100009861981 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.2874 CCC(C)Sc1cc([nH]c(=O)c1)C 62a_100009861981_100000758301 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.2874 CCN(C)Cc1cc(=O)[nH]c(n1)O 2230a_100000225621_100000185147 [0,2,0,0,0,0|0,1,1]=4 372 B13R1.2874 CCN(C)Cc1cc(=O)[nH]c(n1)O 269982a_100000225621_100000185147 [0,2,0,0,0,0|0,1,1]=4 373 B13R1.2874 COC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100009879195_100000015670 [0,2,0,0,0,0|1,1,0]=4 374 B13R1.2874 C[C@H](CF)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100102880703_100000015670 [0,2,0,0,0,0|1,1,0]=4 375 B13R1.2874 C[C@H](CO)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100000737577_100000015670 [0,2,0,0,0,0|1,1,0]=4 376 B13R1.2874 C[C@H](CO)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100016084084_100000015670 [0,2,0,0,0,0|1,1,0]=4 377 B13R1.3420 C=C(C)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000765925_100000015670 [0,2,0,0,0,0|0,1,1]=4 378 B13R1.3420 C=C(C)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000748629_100000015670 [0,2,0,0,0,0|0,1,1]=4 379 B13R1.3420 CC(C)C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016257149_100000015670 [0,2,0,0,0,0|0,1,1]=4 380 B13R1.3420 CC(C)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000210953_100000015670 [0,2,0,0,0,0|0,1,0]=3 381 B13R1.3420 CC(C)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210624_100000015670 [0,2,0,0,0,0|0,1,0]=3 382 B13R1.3420 CC(C)NCc1cc(=O)[nH]c(n1)O 2230a_100138425928_100000185147 [0,2,0,0,0,0|0,1,1]=4 383 B13R1.3420 CC(C)NCc1cc(=O)[nH]c(n1)O 34a_100138425928_100000185147 [0,2,0,0,0,0|0,1,1]=4 384 B13R1.3420 CC(C)OCc1cc(=O)[nH]c(n1)O 34a_100000212225_100000185147 [0,2,0,0,0,0|0,1,1]=4 385 B13R1.3420 CC(C)SCc1cc(=O)[nH]c(n1)O 62a_100000210206_100000185147 [0,2,0,0,0,0|0,1,1]=4 386 B13R1.3420 CC(O)C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_200011019289_100000015670 [0,2,0,0,0,0|0,1,1]=4 387 B13R1.3420 CC(O)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000210904_100000015670 [0,2,0,0,0,0|0,1,0]=3 388 B13R1.3420 CC(O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100011218427_100000015670 [0,2,0,0,0,0|0,1,0]=3 389 B13R1.3420 C[C@@H](O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100009817552_100000015670 [0,2,0,0,0,0|0,1,0]=3 390 B13R1.3420 Cc1cc(cc(=O)[nH]1)NCC(C)C 27a_100000210953_100009861981 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.3420 Cc1cc(cc(=O)[nH]1)NCC(C)O 27a_100000210904_100009861981 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.3420 Cc1cc(cc(=O)[nH]1)OCC(C)C 34a_100000039070_100000210624 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.3420 Cc1cc(cc(=O)[nH]1)OCC(C)O 34a_100000039070_100011218427 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.3420 Cc1cc(cc(=O)[nH]1)OC[C@@H](C)O 34a_100000039070_100009817552 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(C)C 62a_100000210624_100009861981 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(C)C 62a_100009861981_100000210760 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(C)O 62a_100009861981_100011218427 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(C)O 62a_100011218427_100009861981 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.3420 Cc1cc(cc(=O)[nH]1)SC[C@@H](C)O 62a_100009817552_100009861981 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.3420 Cc1cc(cc(=O)[nH]1)SC[C@@H](C)O 62a_100009861981_100009817552 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.3420 O=c1cc([nH]c(=O)[nH]1)NCC(F)F 27a_100000765723_100000015670 [0,2,0,0,0,0|1,1,0]=4 402 B13R1.3420 O=c1cc([nH]c(=O)[nH]1)SCC(F)F 62a_100011934356_100000015670 [0,2,0,0,0,0|1,1,0]=4 403 B13R1.3421 CC(C)(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100000211941_100000015670 [0,2,0,0,0,0|1,1,0]=4 404 B13R1.3423 CC(C)N(C)c1cc(=O)[nH]c(=O)[nH]1 27a_200000211004_100000015670 [0,2,0,0,0,0|1,1,0]=4 405 B13R1.321 CCN(CC)c1cc(=O)[nH]c(=O)[nH]1 27a_100000724800_100000015670 [0,2,0,0,0,0|1,1,0]=4 406 B11R1.77 NC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000187820 [0,0,1,1,0,0|1,1,0]=4 407 B11R1.484 NC(=O)CC(=O)C=C1CCC1 1458a_100000686340_100000187820 [0,0,1,1,0,0|1,1,0]=4 408 B11R1.485 NC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000187820 [0,0,1,1,0,0|1,1,0]=4 409 B11R2.35 O=c1cc(cc[nH]1)C2CC2 271570a_100011220607_100009816521 [1,0,0,1,0,0|1,0,0]=3 410 B11R2.35 O=c1cc(cn[nH]1)C2CC2 271570a_100011220607_100010197405 [1,0,0,1,0,0|2,0,0]=4 411 B11R2.35 O=c1cccc([nH]1)C2CC2 271570a_100011220607_100000761760 [1,0,0,1,0,0|1,1,0]=4 412 B11R2.35 O=c1nc(cc[nH]1)C2CC2 271570a_100011220607_200000134032 [1,0,0,1,0,0|0,1,1]=4 413 B13R2.11035 Cc1c([nH]c(=O)[nH]c1=O)C2CC2 271570a_100011220607_200009866310 [0,1,0,1,0,0|0,1,0]=3 414 B13R2.11035 Cc1nc(=O)c(c([nH]1)C2CC2)F 271570a_100011220607_100010274585 [0,1,0,1,0,0|1,0,1]=4 415 B13R2.11035 Cn1c(cc(=O)[nH]c1=O)C2CC2 271570a_100011220607_100000093302 [0,1,0,1,0,0|0,1,0]=3 416 B13R2.12698 Cn1c(=O)cc([nH]c1=O)C2CC2 271570a_100011220607_100000723047 [0,1,0,1,0,0|0,1,0]=3 417 B13R2.140 Cc1cc(cc(=O)[nH]1)N2CCC2 27a_100000754969_100009861981 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.140 O=c1cc([nH]c(=O)[nH]1)N2CCC2 27a_100000754969_100000015670 [0,1,0,1,0,0|0,1,0]=3 419 B13R2.141 Cc1cc(cc(=O)[nH]1)NC2CC2 27a_100000212008_100009861981 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.141 Cc1cc(cc(=O)[nH]1)OC2CC2 34a_100000039070_100000211595 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.141 Cc1cc(cc(=O)[nH]1)SC2CC2 62a_100009861981_100000211595 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.141 O=c1cc([nH]c(=O)[nH]1)NC2CC2 27a_100000212008_100000015670 [0,1,0,1,0,0|0,1,0]=3 423 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,0,0,0,1,0|1,1,0]=4 424 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [1,0,0,0,1,0|1,1,0]=4 425 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [1,0,0,0,1,0|2,0,0]=4 426 B11R0.46 C=C(C)CNC(=O)C=CCCC 11a_100000765925_100000212230 [0,0,1,0,0,1|2,0,0]=4 427 B11R0.46 C=C(C)CNC(=O)C=CCCC 1626a_100000765925_100000212230 [0,0,1,0,0,1|2,0,0]=4 428 B11R0.46 C=C(C)CNC(=O)C=CCCC 240690a_100000765925_100000212230 [0,0,1,0,0,1|2,0,0]=4 429 B11R0.46 CCCC=CC(=O)NCC(=O)N 11a_100000711301_100000212230 [0,0,1,0,0,1|0,1,0]=3 430 B11R0.46 CCCC=CC(=O)NCC(=O)N 240690a_100000711301_100000212230 [0,0,1,0,0,1|0,1,0]=3 431 B11R0.46 CCCC=CC(=O)NNC(=O)C 22a_100000189765_100000212230 [0,0,1,0,0,1|1,1,0]=4 432 B11R0.46 CCOC=CC(=O)NCC(=O)N 11a_100000711301_100016266692 [0,0,1,0,0,1|1,1,0]=4 433 B11R0.46 CCOC=CC(=O)NCC(=O)N 240690a_100000711301_100016266692 [0,0,1,0,0,1|1,1,0]=4 434 B11R0.46 COCC=CC(=O)NCC(=O)N 11a_100000711301_100016285016 [0,0,1,0,0,1|1,1,0]=4 435 B11R0.46 COCC=CC(=O)NCC(=O)N 240690a_100000711301_100016285016 [0,0,1,0,0,1|1,1,0]=4 436 B11R1.81 CCNc1n[nH]c(=O)[nH]c1=O 27a_100015525214_100000181694 [0,0,0,0,1,1|1,1,0]=4 437 B11R1.81 CCSc1ccc(=O)[nH]c1N 62a_100009884077_100000210202 [0,0,0,0,1,1|2,0,0]=4 438 B11R1.81 CCSc1cnc(=O)[nH]c1N 62a_100000210202_100000708077 [0,0,0,0,1,1|2,0,0]=4 439 B11R1.81 CCSc1cnc(=O)[nH]c1N 62a_100000708077_100000210202 [0,0,0,0,1,1|2,0,0]=4 440 B11R1.81 CCSc1n[nH]c(=O)[nH]c1=O 62a_100000210202_100000181694 [0,0,0,0,1,1|1,1,0]=4 441 B11R1.81 CNCc1c[nH]c(=O)[nH]c1=O 2230a_106832991635_100000035367 [0,0,0,0,1,1|1,1,0]=4 442 B11R1.81 CNCc1c[nH]c(=O)[nH]c1=O 7a_106832991635_100000035367 [0,0,0,0,1,1|1,1,0]=4 443 B11R1.81 CSCc1c[nH]c(=O)[nH]c1=O 62a_200000210301_100000035367 [0,0,0,0,1,1|1,1,0]=4 444 B11R1.81 [13CH3]SCc1c[nH]c(=O)[nH]c1=O 62a_200025704644_100000035367 [0,0,0,0,1,1|1,1,0]=4