0 B12R1.77 CCC(=O)c1ccccc1C#C AB69159 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.77 CNc1c(cccn1)C(=O)OC AB66270 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.77 COC(=O)c1c(cccn1)C#C AB69078 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.77 COC(=O)c1c(cccn1)C#N AB03603 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.77 COC(=O)c1c(cccn1)CBr AB31487 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.77 COC(=O)c1c(cccn1)CCl AB70258 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.77 COC(=O)c1c(cccn1)CO AB76394 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.77 COC(=O)c1c(nccn1)CBr AB74372 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.77 COC(=O)c1ccccc1C#C AB65625 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.77 COC(=O)c1cccnc1CBr AB71758 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.77 COC(=O)c1cccnc1CCl MB08842 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.77 COC(=O)c1ccncc1C#C AB69063 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.77 COC(=O)c1ccncc1CBr AB64502 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.77 COc1c(cccn1)C(=O)OC PB12422 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.77 COc1ccccc1C(=N)OC AB60967 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.77 COc1ccccc1C(=O)C=O AB29979 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.41 CNCc1cnccc1OC AB67885 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.41 COc1ccccc1CC=O AB02842 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.41 COc1ccccc1CNN PB34218 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.53 B(c1c(cccn1)OC)(O)O AB31194 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.53 B(c1ccccc1CC)(O)O AB10774 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.53 B(c1ccccc1OC)(O)O AB05344 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.53 B(c1ccccc1SC)(O)O AB08660 [1,0,0,0,0,0|1,1,1]=4 24 B11R1.53 B(c1cccnc1OC)(O)O AB14155 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.53 B(c1cccnc1OC)(O)O AB40865 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.53 B(c1ccncc1OC)(O)O AB30105 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.53 B(c1ccncc1OC)(O)O AB42657 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.53 B(c1cnccc1OC)(O)O AB08335 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.53 B(c1cnccc1OC)(O)O AB17840 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.53 B(c1cnccc1OC)(O)O AB30564 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.53 CC(=O)c1cccnc1OC AB64711 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.53 CC(=O)c1cnccc1OC AB67883 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.53 CC(c1cccnc1OC)N AB67098 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.53 CC(c1cnccc1OC)N AB67900 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.53 CCc1ccccc1C(=S)N AB26904 [1,0,0,0,0,0|2,1,0]=4 36 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.53 COc1c(nccn1)C(=O)O AB60438 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.53 COc1ccccc1C(=N)N AB27551 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.53 COc1ccccc1C(=S)N AB21279 [1,0,0,0,0,0|1,1,0]=3 40 B11R1.53 COc1cccnc1C(=O)O MB04405 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.53 COc1cccnc1[N+](=O)[O-] AB04964 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.53 COc1ccncc1C(=O)O AB20474 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.53 COc1cnccc1C(=O)O AB32050 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.53 c1cc(c(nc1)C#N)C(=O)O AB31804 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.53 c1cc(c(nc1)C(=O)O)C#N AB31808 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl CB10271 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.53 c1cncc(c1C(=O)O)C#N AB67710 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.222 CCC(=O)c1ccccc1F MB00205 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.222 CNC(=O)c1ccccc1O MB00422 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.222 CNC(=O)c1ccncc1O MB25570 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.222 CNC(=O)c1cnccc1O MB38207 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.222 COC(=N)c1ccccc1F AB60966 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.222 COC(=N)c1ccccc1O AB60984 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.222 COC(=O)c1cccnc1Br AB31400 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.222 COC(=O)c1cccnc1O AB44640 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.222 COC(=O)c1ccncc1Br PB14358 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.222 COC(=O)c1ccncc1I PB10250 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.222 COC(=O)c1ccncc1N PB21166 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.222 COC(=O)c1cnccc1F AB70564 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.222 COC(=O)c1cnccc1N PB32232 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.222 COC(=O)c1cncnc1N AB70459 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [1,0,0,0,0,0|0,0,0]=1 74 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [1,0,0,0,0,0|3,0,0]=4 80 B13R1.92 COc1c(cccn1)C(OC)OC AB31064 [0,1,0,0,0,0|1,0,2]=4 81 B13R1.107 CCc1c(cccc1O)C(=O)NC MB23566 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.107 CNC(=O)c1cccc(c1C#N)O MB32156 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.107 CNC(=O)c1cccc(c1C=O)O MB30680 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.107 CNC(=O)c1cccc(c1CN)O MB26332 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.107 CNC(=O)c1cccc(c1OC)O MB30185 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.107 CNc1c(cccc1O)C(=O)NC MB35579 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.107 COC(=O)c1cccc(c1CBr)Br AB30419 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.107 COC(=O)c1cccc(c1CBr)Cl AB18072 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.107 COC(=O)c1ccnc(c1CBr)Cl AB74327 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.107 COC(=O)c1ccnc(c1CBr)F AB74336 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.382 COC(=O)c1ccccc1CCN AB23357 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.464 CCOC(=N)c1ccccc1C#N AB44620 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.464 CCOC(=O)c1c(cccn1)C#N AB31814 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.464 CCOC(=O)c1c(cccn1)CCl AB60067 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.464 CCOC(=O)c1cccnc1C#N AB31816 [0,1,0,0,0,0|3,0,0]=4 96 B13R1.464 CCOC(=O)c1cccnc1CBr MB09775 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.464 CCOC(=O)c1cccnc1CBr MB09844 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.464 CCOC(=O)c1cccnc1CCl AB60060 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.464 CCOC(=O)c1ccncc1CCl AB60086 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.464 CCOC(=O)c1cnccc1C#N AB76338 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.464 COc1ccccc1C(=O)CC#N AB10610 [0,1,0,0,0,0|1,0,1]=3 102 B13R1.547 B(c1ccccc1C(=O)OC)(O)O AB11160 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.547 COC(=O)c1c(cccn1)C(=O)N AB76547 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.2065 CCc1cc(ccc1C(=O)NC)O MB23731 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.2065 CNC(=O)c1ccc(cc1C#N)O MB36700 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.2065 CNC(=O)c1ccc(cc1C=O)O MB35821 [0,1,0,0,0,0|3,0,0]=4 107 B13R1.2065 CNC(=O)c1ccc(cc1CN)O MB26653 [0,1,0,0,0,0|3,0,0]=4 108 B13R1.2065 CNC(=O)c1ccc(cc1OC)O MB27379 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.2065 CNc1cc(ccc1C(=O)NC)O MB26380 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.2065 COC(=O)c1c(cc(cn1)Br)CBr AB74361 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.2065 COC(=O)c1c(cc(cn1)Cl)CBr AB74364 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.2065 COC(=O)c1ccc(cc1C#N)Cl MB05672 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br AB18064 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.2065 COC(=O)c1ccc(cc1CBr)F AB64116 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.2065 COC(=O)c1ccc(nc1CBr)Br AB74339 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.2065 COC(=O)c1ccc(nc1CBr)Cl AB74337 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.2065 COc1c(ccc(n1)N)C(=O)OC AB70613 [0,1,0,0,0,0|1,0,0]=2 118 B13R1.2065 COc1c(ccc(n1)O)C(=O)OC AB67047 [0,1,0,0,0,0|1,0,0]=2 119 B13R1.2065 COc1c(ncc(n1)Cl)C(=O)OC AB69262 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.2065 COc1cc(ccc1C(=O)OC)F AB23214 [0,1,0,0,0,0|0,0,0]=1 121 B13R1.2065 COc1cc(nnc1C(=O)OC)Cl AB54722 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.2065 Cc1cc(c(nc1)C(=O)OC)CBr AB74371 [0,1,0,0,0,0|3,0,0]=4 123 B13R1.2065 Cc1ccc(c(n1)CBr)C(=O)OC AB74342 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.2209 CCc1c(cc(cn1)Cl)C(=O)OC AB85330 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.2209 CCc1ccc(cc1C(=O)NC)O MB23920 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.2209 CNC(=O)c1cc(ccc1C#N)O MB25215 [0,1,0,0,0,0|3,0,0]=4 127 B13R1.2209 CNC(=O)c1cc(ccc1C=O)O MB25236 [0,1,0,0,0,0|3,0,0]=4 128 B13R1.2209 CNC(=O)c1cc(ccc1CN)O MB25239 [0,1,0,0,0,0|3,0,0]=4 129 B13R1.2209 CNC(=O)c1cc(ccc1OC)O MB25257 [0,1,0,0,0,0|1,0,0]=2 130 B13R1.2209 CNC(=O)c1cc(ccc1SC)O MB25271 [0,1,0,0,0,0|1,1,0]=3 131 B13R1.2209 CNc1ccc(cc1C(=O)NC)O MB34187 [0,1,0,0,0,0|2,0,0]=3 132 B13R1.2209 COC(=O)c1c(ccc(n1)Br)CBr AB74356 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.2209 COC(=O)c1c(ccc(n1)Cl)CBr AB74354 [0,1,0,0,0,0|3,0,0]=4 134 B13R1.2209 COC(=O)c1cc(ccc1C#N)Cl MB05674 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.2209 COC(=O)c1cc(ccc1C=O)F MB09773 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.2209 COC(=O)c1cc(ccc1CBr)Br AB64112 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.2209 COC(=O)c1cc(ccc1CBr)Cl AB30438 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.2209 COC(=O)c1cc(ccc1CBr)F AB18074 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.2209 COC(=O)c1cc(cnc1C#N)F AB76364 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.2209 COC(=O)c1cc(cnc1CBr)Br AB74346 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.2209 COC(=O)c1cc(cnc1CBr)Cl AB74348 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.2209 COC(=O)c1cc(ncc1CBr)Br AB74319 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.2209 COC(=O)c1cc(ncc1CBr)Cl AB74323 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.2209 COc1c(cc(cn1)Br)C(=O)OC PB25026 [0,1,0,0,0,0|1,0,0]=2 145 B13R1.2209 COc1c(cc(cn1)Cl)C(=O)OC AB65269 [0,1,0,0,0,0|1,0,0]=2 146 B13R1.2209 COc1c(cc(cn1)F)C(=O)OC AB70571 [0,1,0,0,0,0|1,0,0]=2 147 B13R1.2209 COc1c(cc(cn1)N)C(=O)OC AB66534 [0,1,0,0,0,0|1,0,0]=2 148 B13R1.2209 COc1c(nc(cn1)Br)C(=O)OC AB60430 [0,1,0,0,0,0|2,0,0]=3 149 B13R1.2209 COc1c(nc(cn1)Cl)C(=O)OC AB60441 [0,1,0,0,0,0|2,0,0]=3 150 B13R1.2209 COc1ccc(cc1C(=O)OC)N AB45660 [0,1,0,0,0,0|0,0,0]=1 151 B13R1.2209 Cc1cc(c(cn1)CBr)C(=O)OC AB74324 [0,1,0,0,0,0|3,0,0]=4 152 B13R1.2209 Cc1cc(c(nc1)CBr)C(=O)OC AB74353 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.2209 Cc1ccc(c(c1)C(=O)OC)CBr AB74304 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.2209 Cc1ccc(c(n1)C(=O)OC)CBr AB74358 [0,1,0,0,0,0|3,0,0]=4 155 B13R1.2357 CCc1cccc(c1C(=O)NC)O MB24037 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.2357 CNC(=O)c1c(cccc1O)C#N MB25072 [0,1,0,0,0,0|3,0,0]=4 157 B13R1.2357 CNC(=O)c1c(cccc1O)C=O MB25088 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.2357 CNC(=O)c1c(cccc1O)CN MB25090 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.2357 CNC(=O)c1c(cccc1OC)O MB25102 [0,1,0,0,0,0|1,0,0]=2 160 B13R1.2357 CNC(=O)c1c(cccc1SC)O MB25110 [0,1,0,0,0,0|1,1,0]=3 161 B13R1.2357 COC(=O)c1c(cccc1Br)CBr AB71886 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.2357 COC(=O)c1c(cccc1Cl)CBr AB18078 [0,1,0,0,0,0|2,0,0]=3 163 B13R1.2357 COC(=O)c1c(cccc1F)CBr AB71887 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.2357 Cc1cccc(c1C(=O)OC)OC MB05930 [0,1,0,0,0,0|0,0,0]=1 165 B13R2.91 COc1ccccc1C2(CC2)N AB39537 [0,0,0,1,0,0|2,0,1]=4 166 B13R2.371 CC1CNC(=O)c2c1cccc2 AB19151 [0,0,0,1,0,0|2,0,0]=3 167 B13R2.371 Cc1c2ccccc2c(=O)[nH]n1 MB00345 [0,0,0,1,0,0|3,0,0]=4 168 B13R2.582 COc1cccc2c1C(=O)CC2 AB42918 [0,0,0,1,0,0|1,0,0]=2 169 B13R2.582 COc1cccc2c1C(=O)NC2 AB63860 [0,0,0,1,0,0|1,0,0]=2 170 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [0,0,0,1,0,0|2,0,0]=3 171 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 AB14874 [0,0,0,1,0,0|2,0,0]=3 172 B13R2.5252 c1ccc2c(c1)CCCNC2=O AB19134 [0,0,0,1,0,0|2,0,0]=3 173 B13R2.5252 c1ccc2c(c1)CCCOC2=O AB65833 [0,0,0,1,0,0|1,0,0]=2 174 B11R1.59 COC(=O)c1c(cco1)CBr AB43018 [0,0,0,0,1,0|3,0,0]=4 175 B11R1.59 COC(=O)c1c(ccs1)C#N AB08489 [0,0,0,0,1,0|3,0,0]=4 176 B13R1.91 COC(=O)Cc1ccccc1C#N AB11476 [0,0,0,0,0,1|2,0,0]=3 177 B13R1.91 COC(=O)Cc1ccccc1CN AB55321 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.20 C#Cc1ccccc1C=O AB17472 [2,0,0,0,0,0|1,0,1]=4 179 B10R1.20 COc1c(cccn1)C=O PB26137 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.20 COc1c(cccn1)CO PB20446 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.20 COc1c(nccn1)C=O AB55611 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.20 COc1ccccc1C#N AB00156 [2,0,0,0,0,0|1,0,1]=4 183 B10R1.20 COc1ccccc1C=O AB00311 [2,0,0,0,0,0|0,0,0]=2 184 B10R1.20 COc1cccnc1C=O AB22246 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.20 COc1cccnc1CO MB05449 [2,0,0,0,0,0|1,0,1]=4 186 B10R1.20 COc1cccnc1OC AB13430 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.20 COc1ccncc1C=O AB17569 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.20 COc1cnccc1C=O AB17541 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.20 CSc1c(cccn1)C=O MB07044 [2,0,0,0,0,0|1,1,0]=4 190 B10R1.61 B(c1ccccc1C)(O)O AB03348 [2,0,0,0,0,0|1,0,1]=4 191 B10R1.61 B(c1ccccc1O)(O)O AB08053 [2,0,0,0,0,0|1,0,1]=4 192 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.61 CC(=O)c1cccnc1Br AB18171 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.61 CC(=O)c1cccnc1F AB41104 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.61 CC(=O)c1cccnc1N AB11689 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.61 CC(=O)c1ccncc1Br PB12099 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.61 CC(=O)c1ccncc1F PB22036 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.61 CC(=O)c1ccncc1N AB41121 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.61 CC(=O)c1cnccc1Br AB64732 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.61 CC(=O)c1cnccc1F AB41107 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.61 CN(C)c1ccccc1O MB08302 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [2,0,0,0,0,0|1,0,0]=3 208 B10R1.61 Cc1c(ccnn1)C(=O)O PB22593 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.61 Cc1ccccc1C(=N)N AB18273 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.61 Cc1ccccc1C(=S)N AB16881 [2,0,0,0,0,0|1,1,0]=4 212 B10R1.61 Cc1cccnc1C(=O)O PB10121 [2,0,0,0,0,0|1,0,0]=3 213 B10R1.61 Cc1ccncc1C(=O)C AB45306 [2,0,0,0,0,0|1,0,0]=3 214 B10R1.61 Cc1ccncc1C(=O)O PB17119 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.61 Cc1cnccc1C(=O)O PB12103 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.61 Cc1cnncc1C(=O)O PB17923 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [2,0,0,0,0,0|1,0,0]=3 227 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [2,0,0,0,0,0|1,0,0]=3 229 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [2,0,0,0,0,0|1,0,0]=3 237 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [2,0,0,0,0,0|1,0,0]=3 243 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.15 CCC(=O)c1ccccn1 AB01373 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.15 COC(=O)c1cccnn1 PB28168 [2,0,0,0,0,0|2,0,0]=4 246 B10R1.15 COC(=O)c1ccncn1 PB15680 [2,0,0,0,0,0|2,0,0]=4 247 B10R1.15 COC(=O)c1ccnnc1 PB31452 [2,0,0,0,0,0|2,0,0]=4 248 B10R1.15 COC(=O)c1cncnc1 PB15822 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.15 COC(=O)c1ncccn1 PB20045 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [2,0,0,0,0,0|2,0,0]=4 253 B12R0.248 CCC\C=C/C=C/C=C/C(=O)OC CB11972 [0,1,1,0,0,0|1,0,0]=3 254 B12R1.75 CC(Cc1ccccc1OC)N MB01561 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.121 COc1ccccc1CCCN AB07599 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.268 CCOc1cc(ccc1OC)Br CB11416 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.46 B(c1cc(ccc1OC)Br)(O)O AB03344 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.46 B(c1cc(ccc1OC)C)(O)O AB11186 [1,1,0,0,0,0|1,0,1]=4 259 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O AB08779 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.46 B(c1cc(ccc1OC)F)(O)O AB10385 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.46 B(c1cc(ccc1OC)O)(O)O AB32085 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.46 CC(=O)c1cc(ncc1OC)Br AB76400 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.46 CC(C)c1cc(ccc1OC)O MB02677 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.46 CCc1ccc(cc1C(=O)N)O MB23932 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.46 CCc1ccc(cc1C(=O)O)O MB23934 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.46 CNc1ccc(cc1C(=O)O)O MB38292 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.46 COc1c(cc(cn1)Br)C(=O)O PB10367 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.46 COc1c(cc(cn1)F)C(=O)O AB20974 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.46 COc1ccc(cc1C(=O)N)O MB29478 [1,1,0,0,0,0|1,0,0]=3 270 B12R1.46 COc1ccc(cc1C(=O)O)N AB50010 [1,1,0,0,0,0|0,0,0]=2 271 B12R1.46 COc1ccc(cc1C(=O)O)O MB08752 [1,1,0,0,0,0|0,0,0]=2 272 B12R1.46 COc1cnc(cc1C(=O)O)Br AB74945 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.46 COc1cnc(cc1C(=O)O)Cl AB67550 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.46 CSc1ccc(cc1C(=O)N)O MB33145 [1,1,0,0,0,0|1,1,0]=4 275 B12R1.46 CSc1ccc(cc1C(=O)O)O MB30450 [1,1,0,0,0,0|0,1,0]=3 276 B12R1.46 Cc1cc(c(nc1)OC)C(=O)C AB70471 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.46 Cc1ncc(c(n1)C(=O)O)OC PB26930 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.46 c1cc(c(cc1O)C(=O)O)C#N MB34207 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.46 c1cc(c(cc1O)C(=O)O)C=O MB31349 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.46 c1cc(c(cc1O)C(=O)O)CN MB26977 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.57 B(c1ccc(cc1OC)Br)(O)O CB11580 [1,1,0,0,0,0|1,0,1]=4 282 B12R1.57 B(c1ccc(cc1OC)Cl)(O)O AB12616 [1,1,0,0,0,0|1,0,1]=4 283 B12R1.57 B(c1ccc(cc1OC)F)(O)O AB15998 [1,1,0,0,0,0|1,0,1]=4 284 B12R1.57 CC(=O)c1ccc(nc1OC)Cl AB64676 [1,1,0,0,0,0|1,0,0]=3 285 B12R1.57 CC(C)c1ccc(cc1OC)O MB33914 [1,1,0,0,0,0|1,0,1]=4 286 B12R1.57 CCc1cc(ccc1C(=O)N)O MB23744 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.57 CCc1cc(ccc1C(=O)O)O MB23747 [1,1,0,0,0,0|1,0,0]=3 288 B12R1.57 CN(C)c1ccc(cc1OC)O MB25710 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.57 CNc1cc(ccc1C(=O)N)O MB36251 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.57 CNc1cc(ccc1C(=O)O)O MB33236 [1,1,0,0,0,0|1,0,0]=3 291 B12R1.57 COc1c(ccc(n1)Br)C(=O)O AB67021 [1,1,0,0,0,0|1,0,0]=3 292 B12R1.57 COc1c(ccc(n1)Cl)C(=O)O AB64672 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.57 COc1c(ccc(n1)F)C(=O)O AB67028 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.57 COc1c(ccc(n1)N)C(=O)O AB43430 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.57 COc1c(ncc(n1)Cl)C(=O)O AB69259 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.57 COc1cc(ccc1C(=O)N)O MB26783 [1,1,0,0,0,0|1,0,0]=3 297 B12R1.57 COc1cc(ccc1C(=O)O)O MB03687 [1,1,0,0,0,0|0,0,0]=2 298 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F AB02974 [1,1,0,0,0,0|1,0,1]=4 299 B12R1.57 COc1cc(ncc1C(=O)O)Br AB67868 [1,1,0,0,0,0|1,0,0]=3 300 B12R1.57 COc1cc(ncc1C(=O)O)Cl AB55875 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.57 COc1cc(ncc1C(=O)O)F AB67874 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.57 COc1cc(ncc1C(=O)O)N AB67877 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.57 CSc1cc(ccc1C(=O)N)O MB27987 [1,1,0,0,0,0|1,1,0]=4 304 B12R1.57 CSc1cc(ccc1C(=O)O)O MB31488 [1,1,0,0,0,0|0,1,0]=3 305 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] AB00874 [1,1,0,0,0,0|1,0,1]=4 306 B12R1.57 c1cc(c(cc1O)C#N)C(=O)O MB38049 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.57 c1cc(c(cc1O)C=O)C(=O)O MB26938 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.57 c1cc(c(cc1O)CN)C(=O)O MB27880 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.76 CC(C)(c1ccccc1OC)N AB54647 [1,1,0,0,0,0|1,0,1]=4 310 B12R1.87 B(c1cccc(c1OC)C)(O)O AB30192 [1,1,0,0,0,0|1,0,1]=4 311 B12R1.87 B(c1cccc(c1OC)F)(O)O AB13708 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.87 CC(C)c1cccc(c1OC)N CB11258 [1,1,0,0,0,0|1,0,1]=4 313 B12R1.87 CC(C)c1cccc(c1OC)O MB07580 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.87 CCc1c(cccc1O)C(=O)N MB23577 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.87 CCc1c(cccc1O)C(=O)O MB23579 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.87 CN(C)c1cccc(c1OC)O MB35089 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.87 CNc1c(cccc1O)C(=O)N MB30861 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.87 CNc1c(cccc1O)C(=O)O MB34985 [1,1,0,0,0,0|1,0,0]=3 319 B12R1.87 COc1c(cccc1F)[N+](=O)[O-] MB03875 [1,1,0,0,0,0|1,0,1]=4 320 B12R1.87 COc1c(cccc1O)C(=O)N MB38316 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.87 COc1c(cccc1O)C(=O)O MB03017 [1,1,0,0,0,0|0,0,0]=2 322 B12R1.87 CSc1c(cccc1O)C(=O)N MB32347 [1,1,0,0,0,0|1,1,0]=4 323 B12R1.87 CSc1c(cccc1O)C(=O)O MB30913 [1,1,0,0,0,0|0,1,0]=3 324 B12R1.87 c1cc(c(c(c1)O)C#N)C(=O)O MB28219 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.87 c1cc(c(c(c1)O)C=O)C(=O)O MB34160 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.87 c1cc(c(c(c1)O)CN)C(=O)O MB36539 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.261 B(c1ccccc1C(=O)C)(O)O AB09053 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.261 B(c1ccccc1C(=O)O)(O)O AB08634 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.437 B(c1c(cccc1Cl)OC)(O)O AB17444 [1,1,0,0,0,0|1,0,1]=4 330 B12R1.437 B(c1c(cccc1F)OC)(O)O AB11233 [1,1,0,0,0,0|1,0,1]=4 331 B12R1.437 CC(=O)c1c(ccnc1O)OC AB84236 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.437 CC(=O)c1c(ccnc1OC)N AB83825 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.437 CC(=O)c1c(ccnc1OC)O AB74866 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.437 CC(=O)c1c(cncc1OC)N AB83769 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.437 CC(=O)c1c(cncc1OC)O AB84137 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.437 CC(C)c1c(cccc1OC)O MB31009 [1,1,0,0,0,0|1,0,1]=4 337 B12R1.437 CCc1cccc(c1C(=O)N)O MB24046 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.437 CCc1cccc(c1C(=O)O)O MB24048 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.437 CN(C)c1c(cccc1OC)O MB27761 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.437 CNc1cccc(c1C(=O)N)O MB33143 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.437 CNc1cccc(c1C(=O)O)O MB36380 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.437 COc1c(c(ccn1)Cl)C(=O)O AB67016 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.437 COc1c(c(ccn1)F)C(=O)O AB67029 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.437 COc1c(c(ccn1)N)C(=O)O AB67037 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.437 COc1c(c(ccn1)O)C(=O)O AB67049 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.437 COc1cccc(c1C(=O)N)O MB30424 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.437 COc1ccnc(c1C(=O)O)Br AB67870 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.437 COc1ccnc(c1C(=O)O)F CB11677 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.437 COc1ccnc(c1C(=O)O)N AB23275 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.437 COc1cncc(c1C(=O)O)N AB63055 [1,1,0,0,0,0|1,0,0]=3 351 B12R1.437 CSc1cccc(c1C(=O)N)O MB28633 [1,1,0,0,0,0|1,1,0]=4 352 B12R1.437 CSc1cccc(c1C(=O)O)O MB33517 [1,1,0,0,0,0|0,1,0]=3 353 B12R1.437 Cc1cccc(c1C(=O)O)OC MB01234 [1,1,0,0,0,0|0,0,0]=2 354 B12R1.437 c1cc(c(c(c1)F)C(=O)O)C#N PB10410 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.437 c1cc(c(c(c1)O)C(=O)O)C#N MB33148 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.437 c1cc(c(c(c1)O)C(=O)O)C=O MB25604 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.24 CNC(=O)c1cccc(c1Br)O MB27164 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.24 CNC(=O)c1cccc(c1F)O MB28045 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.24 CNC(=O)c1cccc(c1I)O MB29470 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.24 CNC(=O)c1cccc(c1N)O MB36494 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.24 CNC(=O)c1cccc(c1O)Br MB35529 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.24 CNC(=O)c1cccc(c1O)F MB30084 [1,1,0,0,0,0|1,0,0]=3 363 B12R1.24 CNC(=O)c1cccc(c1O)I MB30159 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.24 CNC(=O)c1cccc(c1O)N MB25677 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.24 COC(=O)c1cccc(c1Br)N MB03033 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.24 COC(=O)c1cccc(c1Cl)O AB68875 [1,1,0,0,0,0|1,0,0]=3 367 B12R1.24 COC(=O)c1cccc(c1F)Br MB07194 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.24 COC(=O)c1cccc(c1O)N AB53733 [1,1,0,0,0,0|0,0,0]=2 369 B12R1.24 COC(=O)c1ccnc(c1N)Cl AB14204 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.24 Cc1c(cccc1O)C(=O)NC MB30831 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.24 Cc1c(ccnc1Cl)C(=O)OC AB44663 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.24 Cc1cccc(c1N)C(=O)OC PB29358 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.24 Cc1cccc(c1O)C(=O)NC MB09397 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.24 Cn1cccc(c1=O)C(=O)OC PB26031 [1,1,0,0,0,0|1,0,1]=4 375 B12R1.124 CN(C)C(=O)c1c(cccn1)O MB12021 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.124 CN(C)C(=O)c1ccccc1O MB01180 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.124 CN(C)C(=O)c1ccncc1O MB24543 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.124 CN(C)C(=O)c1cnccc1O MB24550 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.308 CCOC(=O)c1c(cccn1)Br AB68905 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.308 CCOC(=O)c1c(cccn1)C AB64448 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.308 CCOC(=O)c1c(cccn1)N AB06627 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.308 CCOC(=O)c1c(ccnn1)C PB13973 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.308 CCOC(=O)c1c(cncn1)C AB71784 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.308 CCOC(=O)c1c(nccn1)C AB53416 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.308 CCOC(=O)c1cccnc1C AB00718 [1,1,0,0,0,0|1,0,0]=3 386 B12R1.308 CCOC(=O)c1cccnc1N PB26067 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [1,1,0,0,0,0|1,0,0]=3 388 B12R1.308 CCOC(=O)c1ccncc1N AB15955 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.308 CCOC(=O)c1ccncc1O PB32752 [1,1,0,0,0,0|1,0,0]=3 390 B12R1.308 CCOC(=O)c1ccnnc1C PB32968 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.308 CCOC(=O)c1cnccc1C AB62589 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.308 CCOC(=O)c1cnccc1Cl AB30313 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.308 CCOC(=O)c1cnccc1O MB01033 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.308 CCOC(=O)c1cncnc1O AB05293 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.308 CCOC(=O)c1cnncc1C PB27094 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.354 CCC(=O)c1cc(ccc1F)Br MB09680 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.354 CNC(=O)c1cc(ccc1Br)O MB25272 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.354 CNC(=O)c1cc(ccc1Cl)O MB25276 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.354 CNC(=O)c1cc(ccc1F)O MB25242 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.354 CNC(=O)c1cc(ccc1I)O MB25246 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.354 CNC(=O)c1cc(ccc1N)O MB25249 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.354 CNC(=O)c1cc(ccc1O)Br MB06709 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.354 CNC(=O)c1cc(ccc1O)Cl MB09405 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.354 CNC(=O)c1cc(ccc1O)F MB25156 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.354 CNC(=O)c1cc(ccc1O)I MB25157 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.354 CNC(=O)c1cc(ccc1O)N MB25165 [1,1,0,0,0,0|1,0,0]=3 407 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N PB13808 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.354 COC(=O)c1c(ncc(n1)Cl)O AB60443 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.354 COC(=O)c1cc(ccc1Br)F AB03201 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.354 COC(=O)c1cc(ccc1Br)N MB00599 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.354 COC(=O)c1cc(cnc1Br)Br PB26964 [1,1,0,0,0,0|2,0,0]=4 412 B12R1.354 COC(=O)c1cc(cnc1Br)Cl AB70566 [1,1,0,0,0,0|2,0,0]=4 413 B12R1.354 COC(=O)c1cc(cnc1Br)F AB70569 [1,1,0,0,0,0|2,0,0]=4 414 B12R1.354 COC(=O)c1cc(cnc1Cl)Br PB26106 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl AB16809 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.354 COC(=O)c1cc(cnc1Cl)F AB51576 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.354 COC(=O)c1cc(cnc1Cl)N AB64794 [1,1,0,0,0,0|2,0,0]=4 418 B12R1.354 COC(=O)c1cc(cnc1N)Br PB15783 [1,1,0,0,0,0|2,0,0]=4 419 B12R1.354 COC(=O)c1cc(cnc1N)Cl AB49362 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.354 COC(=O)c1cc(cnc1O)Br PB22109 [1,1,0,0,0,0|1,0,0]=3 421 B12R1.354 COC(=O)c1cc(cnc1O)Cl AB44644 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.354 COC(=O)c1cc(cnc1O)I AB43751 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.354 COC(=O)c1cc(ncc1Br)Cl AB41198 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.354 COC(=O)c1cc(ncc1N)Br PB19740 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.354 Cc1c(cc(cn1)Cl)C(=O)OC CB11364 [1,1,0,0,0,0|1,0,0]=3 426 B12R1.354 Cc1c(cc(cn1)F)C(=O)OC AB74561 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.354 Cc1cc(c(nc1)Cl)C(=O)OC AB41818 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.354 Cc1ccc(c(c1)C(=O)NC)O MB09387 [1,1,0,0,0,0|1,0,0]=3 429 B12R1.354 Cc1ccc(cc1C(=O)NC)O MB25214 [1,1,0,0,0,0|1,0,0]=3 430 B12R1.354 Cc1ccc(cc1C(=O)OC)Br AB53585 [1,1,0,0,0,0|0,0,0]=2 431 B12R1.354 Cc1ccc(cc1C(=O)OC)O CB11516 [1,1,0,0,0,0|0,0,0]=2 432 B12R1.1703 CCC(=O)c1ccc(cc1F)Br MB09679 [1,1,0,0,0,0|2,0,0]=4 433 B12R1.1703 CNC(=O)c1ccc(cc1Br)O MB30771 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O MB37760 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.1703 CNC(=O)c1ccc(cc1F)O MB34809 [1,1,0,0,0,0|2,0,0]=4 436 B12R1.1703 CNC(=O)c1ccc(cc1I)O MB34084 [1,1,0,0,0,0|2,0,0]=4 437 B12R1.1703 CNC(=O)c1ccc(cc1N)Br AB65732 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.1703 CNC(=O)c1ccc(cc1N)Cl AB49593 [1,1,0,0,0,0|2,0,0]=4 439 B12R1.1703 CNC(=O)c1ccc(cc1N)O MB30252 [1,1,0,0,0,0|2,0,0]=4 440 B12R1.1703 CNC(=O)c1ccc(cc1O)Br MB14847 [1,1,0,0,0,0|1,0,0]=3 441 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl MB09389 [1,1,0,0,0,0|1,0,0]=3 442 B12R1.1703 CNC(=O)c1ccc(cc1O)F MB25343 [1,1,0,0,0,0|1,0,0]=3 443 B12R1.1703 CNC(=O)c1ccc(cc1O)I MB25350 [1,1,0,0,0,0|1,0,0]=3 444 B12R1.1703 CNC(=O)c1ccc(cc1O)N MB25357 [1,1,0,0,0,0|1,0,0]=3 445 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N PB33334 [1,1,0,0,0,0|2,0,0]=4 446 B12R1.1703 COC(=O)c1c(cc(nn1)O)O AB55526 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.1703 COC(=O)c1ccc(cc1Br)F AB23216 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.1703 COC(=O)c1ccc(cc1Cl)F PB10114 [1,1,0,0,0,0|1,0,0]=3 449 B12R1.1703 COC(=O)c1ccc(nc1Br)N AB73582 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.1703 COC(=O)c1ccc(nc1Cl)N AB70592 [1,1,0,0,0,0|2,0,0]=4 451 B12R1.1703 COC(=O)c1ccc(nc1F)F AB48567 [1,1,0,0,0,0|2,0,0]=4 452 B12R1.1703 COC(=O)c1ccc(nc1N)Cl PB30193 [1,1,0,0,0,0|2,0,0]=4 453 B12R1.1703 COC(=O)c1cnc(cc1Br)N AB73580 [1,1,0,0,0,0|2,0,0]=4 454 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PB23404 [1,1,0,0,0,0|2,0,0]=4 455 B12R1.1703 COC(=O)c1cnc(cc1Cl)N AB73574 [1,1,0,0,0,0|2,0,0]=4 456 B12R1.1703 Cc1c(ccc(n1)N)C(=O)OC AB43431 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.1703 Cc1c(ccc(n1)O)C(=O)OC AB64410 [1,1,0,0,0,0|1,0,0]=3 458 B12R1.1703 Cc1c(ncc(n1)Br)C(=O)OC AB85711 [1,1,0,0,0,0|2,0,0]=4 459 B12R1.1703 Cc1c(ncc(n1)Cl)C(=O)OC AB85680 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br AB40710 [1,1,0,0,0,0|2,0,0]=4 461 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl AB40714 [1,1,0,0,0,0|2,0,0]=4 462 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br AB55602 [1,1,0,0,0,0|0,0,0]=2 463 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br AB41229 [1,1,0,0,0,0|1,0,0]=3 464 B12R1.1703 Cc1cc(cnc1C(=O)OC)Cl AB41234 [1,1,0,0,0,0|1,0,0]=3 465 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC AB16571 [1,1,0,0,0,0|1,0,0]=3 466 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NC MB09401 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC AB55505 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr AB16102 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.3441 CNC(=O)c1c(cccc1Br)O MB25113 [1,1,0,0,0,0|1,0,0]=3 470 B12R1.3441 CNC(=O)c1c(cccc1Cl)O MB25117 [1,1,0,0,0,0|1,0,0]=3 471 B12R1.3441 CNC(=O)c1c(cccc1F)O MB25092 [1,1,0,0,0,0|1,0,0]=3 472 B12R1.3441 CNC(=O)c1c(cccc1I)O MB25096 [1,1,0,0,0,0|1,0,0]=3 473 B12R1.3441 CNC(=O)c1c(cccc1O)N MB25069 [1,1,0,0,0,0|1,0,0]=3 474 B12R1.3441 COC(=O)c1c(cccc1Br)Cl MB02960 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.3441 COC(=O)c1c(cccc1F)N MB02037 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl PB14881 [1,1,0,0,0,0|2,0,0]=4 477 B12R1.3441 COC(=O)c1c(ccnc1Cl)I AB17422 [1,1,0,0,0,0|2,0,0]=4 478 B12R1.3441 COC(=O)c1c(ccnc1Cl)N PB30425 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.3441 Cc1cccc(c1C(=O)NC)O MB25066 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.3441 Cc1cccc(c1C(=O)OC)O MB04157 [1,1,0,0,0,0|0,0,0]=2 481 B12R1.3441 Cc1cn[nH]c(=O)c1C(=O)OC PB35705 [1,1,0,0,0,0|2,0,0]=4 482 B14R1.965 CCOC(=O)Cc1ccccc1OC AB50411 [0,1,0,0,0,1|0,0,0]=2 483 B14R1.3302 COC(=O)Cc1ccccc1[N+](=O)[O-] AB07849 [0,1,0,0,0,1|2,0,0]=4 484 B14R1.113 CCc1c(cccc1O)C(=O)N(C)C MB23564 [0,2,0,0,0,0|2,0,0]=4 485 B14R1.113 CN(C)C(=O)c1cccc(c1OC)O MB26493 [0,2,0,0,0,0|1,0,0]=3 486 B14R1.113 CNc1c(cccc1O)C(=O)N(C)C MB36613 [0,2,0,0,0,0|2,0,0]=4 487 B14R1.1592 CCc1cc(ccc1C(=O)N(C)C)O MB23727 [0,2,0,0,0,0|2,0,0]=4 488 B14R1.1592 CN(C)C(=O)c1ccc(cc1OC)O MB35524 [0,2,0,0,0,0|1,0,0]=3 489 B14R1.1592 CN(C)C(=O)c1ccc(cc1SC)O MB27052 [0,2,0,0,0,0|1,1,0]=4 490 B14R1.1592 CNc1cc(ccc1C(=O)N(C)C)O MB36567 [0,2,0,0,0,0|2,0,0]=4 491 B14R1.1867 CCc1ccc(cc1C(=O)N(C)C)O MB23917 [0,2,0,0,0,0|2,0,0]=4 492 B14R1.1867 CN(C)C(=O)c1cc(ccc1OC)O MB37567 [0,2,0,0,0,0|1,0,0]=3 493 B14R1.1867 CNc1ccc(cc1C(=O)N(C)C)O MB31290 [0,2,0,0,0,0|2,0,0]=4 494 B14R1.2196 CCc1cccc(c1C(=O)N(C)C)O MB24034 [0,2,0,0,0,0|2,0,0]=4 495 B14R1.2196 CN(C)C(=O)c1c(cccc1OC)O MB25738 [0,2,0,0,0,0|1,0,0]=3 496 B14R1.2196 CN(C)C(=O)c1c(cccc1SC)O MB28031 [0,2,0,0,0,0|1,1,0]=4 497 B14R1.2196 CNc1cccc(c1C(=O)N(C)C)O MB25872 [0,2,0,0,0,0|2,0,0]=4 498 B14R1.1153 CC(C)c1c(cccc1O)C(=O)NC MB31596 [0,2,0,0,0,0|2,0,0]=4 499 B14R1.1153 CNC(=O)c1cccc(c1N(C)C)O MB27232 [0,2,0,0,0,0|2,0,0]=4 500 B14R1.2171 COc1cccc(c1CBr)C(=O)OC AB18068 [0,2,0,0,0,0|2,0,0]=4 501 B14R1.12530 COc1c(cc(cc1Br)Cl)C(=O)OC MB07046 [0,2,0,0,0,0|0,0,0]=2 502 B14R1.12530 Cc1cc(cc(c1OC)C(=O)OC)Cl AB66257 [0,2,0,0,0,0|0,0,0]=2 503 B14R1.789 COC(=O)c1ccccc1CCC=O AB42291 [0,2,0,0,0,0|1,0,0]=3 504 B14R1.599 CCOC(=O)c1c(ncc(n1)Cl)OC AB76923 [0,2,0,0,0,0|2,0,0]=4 505 B14R1.599 CCOC(=O)c1cc(cnc1OC)C AB71293 [0,2,0,0,0,0|1,0,0]=3 506 B14R1.623 B(c1ccccc1C(=O)OCC)(O)O AB11161 [0,2,0,0,0,0|2,0,0]=4 507 B14R1.7233 CCOC(=O)c1ccc(cc1OC)Br MB09075 [0,2,0,0,0,0|0,0,0]=2 508 B14R1.707 B(c1ccc(cc1C(=O)OC)F)(O)O AB30711 [0,2,0,0,0,0|2,0,0]=4 509 B14R1.707 CC(C)c1ccc(cc1C(=O)NC)O MB25225 [0,2,0,0,0,0|2,0,0]=4 510 B14R1.707 CNC(=O)c1cc(ccc1N(C)C)O MB25251 [0,2,0,0,0,0|2,0,0]=4 511 B14R1.1126 B(c1cc(ccc1C(=O)OC)F)(O)O AB13721 [0,2,0,0,0,0|2,0,0]=4 512 B14R1.1126 CC(C)c1cc(ccc1C(=O)NC)O MB37630 [0,2,0,0,0,0|2,0,0]=4 513 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)O MB26751 [0,2,0,0,0,0|2,0,0]=4 514 B14R1.1164 CC(C)c1cccc(c1C(=O)NC)O MB25078 [0,2,0,0,0,0|2,0,0]=4 515 B14R1.1164 CNC(=O)c1c(cccc1O)N(C)C MB25099 [0,2,0,0,0,0|2,0,0]=4 516 B14R1.2287 Cc1cc(c(cc1Cl)C(=O)CBr)OC CB10683 [0,2,0,0,0,0|2,0,0]=4 517 B14R1.2334 CNc1c(ccc(n1)OC)C(=O)OC AB63643 [0,2,0,0,0,0|2,0,0]=4 518 B14R1.2334 COC(=O)c1ccc(cc1CBr)C#N AB53892 [0,2,0,0,0,0|2,0,0]=4 519 B14R1.2334 COc1ccc(c(c1)CBr)C(=O)OC AB18055 [0,2,0,0,0,0|2,0,0]=4 520 B14R1.2304 COC(=O)c1c(ccc(c1F)F)CBr AB74306 [0,2,0,0,0,0|2,0,0]=4 521 B14R1.2315 COC(=O)c1cc(ccc1CBr)C#N AB74315 [0,2,0,0,0,0|2,0,0]=4 522 B14R1.2315 COc1ccc(c(c1)C(=O)OC)C#N MB07668 [0,2,0,0,0,0|2,0,0]=4 523 B14R1.2315 COc1ccc(c(c1)C(=O)OC)CBr AB64108 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.367 Cn1cc(ccc1=O)C(=O)OC PB10057 [0,0,1,1,0,0|2,0,0]=4 525 B12R1.58 COc1cc(cc(c1)OC)C=O AB00320 [0,0,1,1,0,0|2,0,0]=4 526 B12R1.58 COc1cc(nc(c1)OC)C=O AB76126 [0,0,1,1,0,0|2,0,0]=4 527 B12R2.24 CC1COc2ccccc2N1 AB10564 [1,0,0,1,0,0|2,0,0]=4 528 B12R2.41 c1ccc2c(c1)COCCN2 AB62713 [1,0,0,1,0,0|1,0,1]=4 529 B12R2.315 COc1cccc2c1CNC2 AB63834 [1,0,0,1,0,0|1,0,1]=4 530 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [1,0,0,1,0,0|2,0,0]=4 531 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [1,0,0,1,0,0|2,0,0]=4 532 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 AB64823 [1,0,0,1,0,0|2,0,0]=4 533 B12R2.203 c1cc2c(c(c1)Cl)C(=O)NC2 MB07456 [1,0,0,1,0,0|2,0,0]=4 534 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [1,0,0,1,0,0|2,0,0]=4 535 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 PB34384 [1,0,0,1,0,0|2,0,0]=4 536 B14R2.95 COC(=O)C1=c2cccnc2=NC1 PB14761 [0,0,0,1,0,1|2,0,0]=4 537 B14R2.95 COC(=O)C1CCc2c1cccc2 AB07839 [0,0,0,1,0,1|1,0,0]=3 538 B14R2.391 c1ccc2c(c1)CCCCC(=O)N2 AB01426 [0,0,0,1,0,1|2,0,0]=4 539 B14R2.11684 COc1cccc2c1CC(=O)CC2 AB25171 [0,0,0,1,0,1|1,0,0]=3 540 B14R2.11684 COc1cccc2c1NC(=O)CO2 MB11344 [0,0,0,1,0,1|2,0,0]=4 541 B14R2.2014 COC1=NCCCc2c1cccc2 AB53001 [0,1,0,1,0,0|2,0,0]=4 542 B14R2.19306 Cc1c(c2ccccc2n1C)C=O AB07014 [0,1,0,1,0,0|2,0,0]=4 543 B14R2.685 Cc1cccc2c1NCCCC2=O AB39594 [0,1,0,1,0,0|2,0,0]=4 544 B14R2.685 c1cc2c(c(c1)Br)NCCCC2=O AB39579 [0,1,0,1,0,0|2,0,0]=4 545 B14R2.685 c1cc2c(c(c1)Cl)NCCCC2=O AB39575 [0,1,0,1,0,0|2,0,0]=4 546 B14R2.685 c1cc2c(c(c1)F)NCCCC2=O AB39583 [0,1,0,1,0,0|2,0,0]=4 547 B14R2.685 c1cc2c(c(c1)I)NCCNC2=O AB44268 [0,1,0,1,0,0|2,0,0]=4 548 B14R2.10782 COC(=O)c1cccc2c1scn2 AB69988 [0,1,0,1,0,0|0,1,1]=4 549 B14R2.11635 COc1cccc2c1C(=O)CCC2 CB10512 [0,1,0,1,0,0|1,0,0]=3 550 B14R2.11635 COc1cccc2c1C(=O)CCN2 AB11870 [0,1,0,1,0,0|1,0,0]=3 551 B14R2.8751 CN1CCC(=O)c2c1ccc(c2)Br MB69176 [0,1,0,1,0,0|2,0,0]=4 552 B14R2.8751 CN1CCC(=O)c2c1ccc(c2)Cl MB69182 [0,1,0,1,0,0|2,0,0]=4 553 B14R2.8751 CN1CCC(=O)c2c1ccc(c2)F MB69187 [0,1,0,1,0,0|2,0,0]=4 554 B14R2.8751 Cc1ccc2c(c1)C(=O)CCN2C MB01307 [0,1,0,1,0,0|2,0,0]=4 555 B14R2.4513 Cc1ccc2c(c1)C(=O)C(CO2)Br MB69206 [0,1,0,1,0,0|2,0,0]=4 556 B14R2.5637 Cc1ccc2c(c1)C(=O)CCCN2 AB39604 [0,1,0,1,0,0|2,0,0]=4 557 B14R2.5637 c1cc2c(cc1Br)C(=O)CCCN2 AB10949 [0,1,0,1,0,0|2,0,0]=4 558 B14R2.5637 c1cc2c(cc1Cl)C(=NCCO2)O AB53014 [0,1,0,1,0,0|1,0,1]=4 559 B14R2.5637 c1cc2c(cc1Cl)C(=O)CCCN2 PB18744 [0,1,0,1,0,0|2,0,0]=4 560 B14R2.5637 c1cc2c(cc1F)C(=NCCO2)O AB53006 [0,1,0,1,0,0|1,0,1]=4 561 B14R2.5637 c1cc2c(cc1F)C(=O)CCCN2 AB39602 [0,1,0,1,0,0|2,0,0]=4 562 B10R1.149 CC1=C(C=NC1)C(=O)OC AB56145 [1,0,0,0,1,0|1,0,1]=4 563 B10R1.149 CC1=C(N=CC1)C(=O)OC PB28024 [1,0,0,0,1,0|1,0,1]=4 564 B10R1.149 COC(=O)c1c(cco1)N PB25248 [1,0,0,0,1,0|2,0,0]=4 565 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [1,0,0,0,1,0|2,0,0]=4 566 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [1,0,0,0,1,0|2,0,0]=4 567 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [1,0,0,0,1,0|2,0,0]=4 568 B10R1.149 COC(=O)c1ccsc1N PB30611 [1,0,0,0,1,0|2,0,0]=4 569 B10R1.149 Cn1cccc1C(=O)OC CB10178 [1,0,0,0,1,0|1,0,0]=3 570 B10R1.149 Cn1ccnc1C(=O)OC PB27571 [1,0,0,0,1,0|2,0,0]=4 571 B10R1.149 Cn1cncc1C(=O)OC PB26064 [1,0,0,0,1,0|2,0,0]=4