0 B12R1.308 CCNC(=O)c1ccccc1Br CSC000155173 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.308 CCNC(=O)c1ccccc1C CSC000160149 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.308 CCNC(=O)c1ccccc1Cl CSC000160087 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.308 CCNC(=O)c1ccccc1F CSC000160117 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.308 CCNC(=O)c1ccccc1I CSC000155181 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.308 CCNC(=O)c1ccccc1N CSC000205978 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.308 CCNC(=O)c1ccccc1O CSC000192205 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.308 CCOC(=O)c1ccccc1Br CSC000169876 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.308 CCOC(=O)c1ccccc1C CSC000170245 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.308 CCOC(=O)c1ccccc1Cl CSC000169879 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.308 CCOC(=O)c1ccccc1F CSC000170099 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.308 CCOC(=O)c1ccccc1I CSC000170190 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.308 CCOC(=O)c1ccccc1O CSC000169922 [0,0,0,0,0,0|0,0,0]=0 13 B12R1.308 CCOC(=O)c1cccnc1C CSC000750000 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.308 CCOC(=O)c1ccncc1Br CSC010238393 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.308 CCOC(=O)c1cnccc1C CSC000728538 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.308 CCOC(=O)c1cnccc1Cl CSC000708780 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.308 CCOC(=O)c1ncccc1C CSC000725470 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.308 CCOC(=O)c1ncccc1F CSC000106390 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.308 CCOC(=O)c1nccnc1C CSC000094559 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.308 CCOC(=O)c1nccnc1N CSC000246222 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.16 CCOC(=O)c1ccccn1 CSC000169882 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.16 CCOC(=O)c1ccncc1 CSC000169898 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.16 CCOC(=O)c1ccncn1 CSC012000388 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.16 CCOC(=O)c1cnccn1 CSC000170199 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.16 CCOC(=O)c1cncnc1 CSC011934276 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.17 CCCOc1ccccc1Br CSC000174042 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.17 CCCOc1ccccc1C CSC000169983 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.17 CCCOc1ccccc1F CSC000173322 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.17 CCCSc1ccccc1Br CSC000230854 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.17 CCNCc1ccccc1F CSC000201217 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [1,0,0,0,0,0|1,1,1]=4 37 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.222 CNC(=O)c1cccnc1C CSC011922290 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.222 COC(=O)c1ccccc1Cl CSC000150121 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.222 COC(=O)c1ccccc1I CSC000148710 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.222 COC(=O)c1cccnc1C CSC011216498 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.222 COC(=O)c1cccnc1F CSC011934352 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.222 COC(=O)c1ccncc1Br CSC010008606 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.222 COC(=O)c1ccncc1C CSC011934321 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.222 COC(=O)c1ccncc1Cl CSC000699585 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.222 COC(=O)c1ccncc1F CSC000702545 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.222 COC(=O)c1cnccc1C CSC011999757 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.222 COC(=O)c1cnccc1Cl CSC012001583 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.222 COC(=O)c1ncccc1Br CSC011935214 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.222 COC(=O)c1ncccc1Cl CSC000093117 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.222 COC(=O)c1ncccc1F CSC000084157 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.222 COC(=O)c1nccnc1C CSC000090199 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.222 NNC(=O)c1ccccc1Cl CSC000186534 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.222 NNC(=O)c1ccccc1I CSC000190081 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.222 NNC(=O)c1ccccc1O CSC000186518 [1,0,0,0,0,0|2,0,0]=3 61 B13R1.12 CCNC(=O)c1cccc(c1O)C CSC000192207 [0,1,0,0,0,0|1,0,0]=2 62 B13R1.12 CCOC(=O)c1cccc(c1Br)C CSC012353711 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.12 CCOC(=O)c1cccc(c1C)Br CSC012298221 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.12 CCOC(=O)c1cccc(c1C)F CSC000082645 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.12 CCOC(=O)c1cccc(c1C)I CSC010168165 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.12 CCOC(=O)c1cccc(c1C)N CSC011217555 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.12 CCOC(=O)c1cccc(c1Cl)Cl CSC000170263 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.12 CCOC(=O)c1cccc(c1F)Br CSC012359204 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.12 CCOC(=O)c1cccc(c1F)Cl CSC012350793 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.12 CCOC(=O)c1cccc(c1F)F CSC011722203 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.12 CCOC(=O)c1cccc(c1N)C CSC000246248 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.12 CCOC(=O)c1cccc(c1N)I CSC000055436 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.201 CC(C)NC(=O)c1cccc[n+]1[O-] CSC015991716 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.201 CC(C)NC(=O)c1ccccc1Br CSC000152627 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.201 CC(C)NC(=O)c1ccccc1C CSC000157570 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.201 CC(C)NC(=O)c1ccccc1Cl CSC000157521 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.201 CC(C)NC(=O)c1ccccc1F CSC000157545 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.201 CC(C)NC(=O)c1ccccc1I CSC000152633 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.201 CC(C)NC(=O)c1ccccc1N CSC000180276 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.201 CC(C)OC(=O)c1ccccc1Br CSC000169877 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.201 CC(C)OC(=O)c1ccccc1Cl CSC000169880 [0,1,0,0,0,0|1,0,0]=2 82 B13R1.201 CC(C)OC(=O)c1ccccc1F CSC000170100 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.201 CC(C)OC(=O)c1ccccc1O CSC000169923 [0,1,0,0,0,0|0,0,0]=1 84 B13R1.446 CCNC(=O)c1cc(ccc1Br)F CSC000205872 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.446 CCNC(=O)c1cc(ccc1C)C CSC000160160 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br CSC000155187 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl CSC000160153 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.446 CCNC(=O)c1cc(ccc1F)F CSC000194127 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.446 CCOC(=O)c1cc(ccc1Br)Br CSC012354135 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.446 CCOC(=O)c1cc(ccc1Br)F CSC011206316 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.446 CCOC(=O)c1cc(ccc1Br)I CSC012360513 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.446 CCOC(=O)c1cc(ccc1C)Br CSC012257361 [0,1,0,0,0,0|1,0,0]=2 93 B13R1.446 CCOC(=O)c1cc(ccc1C)I CSC012360117 [0,1,0,0,0,0|1,0,0]=2 94 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Br CSC000170345 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Cl CSC000170266 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.446 CCOC(=O)c1cc(ccc1Cl)F CSC012350807 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.446 CCOC(=O)c1cc(ccc1Cl)I CSC012339456 [0,1,0,0,0,0|1,0,0]=2 98 B13R1.446 CCOC(=O)c1cc(ccc1Cl)N CSC000743451 [0,1,0,0,0,0|1,0,0]=2 99 B13R1.446 CCOC(=O)c1cc(ccc1Cl)O CSC012359385 [0,1,0,0,0,0|1,0,0]=2 100 B13R1.446 CCOC(=O)c1cc(ccc1F)C CSC011692780 [0,1,0,0,0,0|1,0,0]=2 101 B13R1.446 CCOC(=O)c1cc(ccc1F)F CSC011212756 [0,1,0,0,0,0|1,0,0]=2 102 B13R1.446 CCOC(=O)c1cc(ccc1F)I CSC012350801 [0,1,0,0,0,0|1,0,0]=2 103 B13R1.446 CCOC(=O)c1cc(ccc1I)Br CSC000171027 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.446 CCOC(=O)c1cc(ccc1N)C CSC011246167 [0,1,0,0,0,0|1,0,0]=2 105 B13R1.446 CCOC(=O)c1cc(ccc1N)Cl CSC000172376 [0,1,0,0,0,0|1,0,0]=2 106 B13R1.446 CCOC(=O)c1cc(ccc1O)Br CSC000174078 [0,1,0,0,0,0|0,0,0]=1 107 B13R1.446 CCOC(=O)c1cc(ccc1O)C CSC011212139 [0,1,0,0,0,0|0,0,0]=1 108 B13R1.446 CCOC(=O)c1cc(ccc1O)O CSC011934247 [0,1,0,0,0,0|0,0,0]=1 109 B13R1.464 CCNC(=O)c1ccccc1OC CSC000160101 [0,1,0,0,0,0|1,0,0]=2 110 B13R1.464 CCNC(=O)c1ccccc1SC CSC000160036 [0,1,0,0,0,0|1,1,0]=3 111 B13R1.464 CCNC(C)c1ccccc1OC CSC000229086 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.464 CCOC(=O)c1ccccc1OC CSC000169928 [0,1,0,0,0,0|0,0,0]=1 113 B13R1.674 Brc1ccccc1C(=O)NCC=C CSC000155313 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.674 CCCNC(=O)c1ccccc1Br CSC000152266 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.674 CCCNC(=O)c1ccccc1C CSC000161743 [0,1,0,0,0,0|2,0,0]=3 116 B13R1.674 CCCNC(=O)c1ccccc1Cl CSC000161694 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.674 CCCNC(=O)c1ccccc1F CSC000161718 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.674 CCCNC(=O)c1ccccc1I CSC000152272 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.674 CCCNC(=O)c1ccccc1N CSC000181257 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.674 CCCNC(=O)c1ccccc1O CSC000192504 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.674 CCCOC(=O)c1ccccc1F CSC000170101 [0,1,0,0,0,0|1,0,0]=2 122 B13R1.674 Cc1ccccc1C(=O)NCC=C CSC000160325 [0,1,0,0,0,0|2,0,1]=4 123 B13R1.674 Cc1ccccc1C(=O)NCCN CSC011198457 [0,1,0,0,0,0|2,0,0]=3 124 B13R1.674 Clc1ccccc1C(=O)NCC=C CSC000160276 [0,1,0,0,0,0|2,0,1]=4 125 B13R1.674 Fc1ccccc1C(=O)NCC=C CSC000160300 [0,1,0,0,0,0|2,0,1]=4 126 B13R1.674 Ic1ccccc1C(=O)NCC=C CSC000155319 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.674 NCCNC(=O)c1ccccc1F CSC000743724 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.674 NCCNC(=O)c1ccccc1O CSC000744561 [0,1,0,0,0,0|1,0,0]=2 129 B13R1.674 Nc1ccccc1C(=O)NCC#C CSC000204693 [0,1,0,0,0,0|2,0,1]=4 130 B13R1.674 Nc1ccccc1C(=O)NCC=C CSC000182330 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.674 OCCNC(=O)c1ccccc1F CSC000158892 [0,1,0,0,0,0|2,0,0]=3 132 B13R1.674 OCCNC(=O)c1ccccc1I CSC000158913 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.674 OCCNC(=O)c1ccccc1O CSC000191647 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.674 OCCOC(=O)c1ccccc1O CSC000229999 [0,1,0,0,0,0|0,0,0]=1 135 B13R1.674 Oc1ccccc1C(=O)NCC=C CSC000192230 [0,1,0,0,0,0|1,0,1]=3 136 B13R1.1511 CCNC(=O)c1ccc(cc1C)C CSC000160197 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C CSC000188181 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl CSC000160115 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F CSC000160214 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)N CSC011193778 [0,1,0,0,0,0|2,0,0]=3 141 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br CSC000215476 [0,1,0,0,0,0|2,0,0]=3 142 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl CSC000215479 [0,1,0,0,0,0|2,0,0]=3 143 B13R1.1511 CCNC(=O)c1ccc(cc1F)F CSC000160182 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.1511 CCOC(=O)c1ccc(cc1Br)C CSC012350802 [0,1,0,0,0,0|1,0,0]=2 145 B13R1.1511 CCOC(=O)c1ccc(cc1Br)Cl CSC012359206 [0,1,0,0,0,0|1,0,0]=2 146 B13R1.1511 CCOC(=O)c1ccc(cc1C)Br CSC011327926 [0,1,0,0,0,0|1,0,0]=2 147 B13R1.1511 CCOC(=O)c1ccc(cc1C)C CSC000170473 [0,1,0,0,0,0|1,0,0]=2 148 B13R1.1511 CCOC(=O)c1ccc(cc1C)Cl CSC012002885 [0,1,0,0,0,0|1,0,0]=2 149 B13R1.1511 CCOC(=O)c1ccc(cc1C)N CSC011558298 [0,1,0,0,0,0|1,0,0]=2 150 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)Br CSC011344750 [0,1,0,0,0,0|1,0,0]=2 151 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)C CSC012185120 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)Cl CSC000170092 [0,1,0,0,0,0|1,0,0]=2 153 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)F CSC000170552 [0,1,0,0,0,0|1,0,0]=2 154 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)I CSC000060723 [0,1,0,0,0,0|1,0,0]=2 155 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)N CSC011434793 [0,1,0,0,0,0|1,0,0]=2 156 B13R1.1511 CCOC(=O)c1ccc(cc1F)Br CSC011213034 [0,1,0,0,0,0|1,0,0]=2 157 B13R1.1511 CCOC(=O)c1ccc(cc1F)Cl CSC011206319 [0,1,0,0,0,0|1,0,0]=2 158 B13R1.1511 CCOC(=O)c1ccc(cc1F)F CSC000170383 [0,1,0,0,0,0|1,0,0]=2 159 B13R1.1511 CCOC(=O)c1ccc(cc1F)I CSC010244673 [0,1,0,0,0,0|1,0,0]=2 160 B13R1.1511 CCOC(=O)c1ccc(cc1F)N CSC011533655 [0,1,0,0,0,0|1,0,0]=2 161 B13R1.1511 CCOC(=O)c1ccc(cc1N)Cl CSC000170104 [0,1,0,0,0,0|1,0,0]=2 162 B13R1.1511 CCOC(=O)c1ccc(cc1N)F CSC011213038 [0,1,0,0,0,0|1,0,0]=2 163 B13R1.1511 CCOC(=O)c1ccc(cc1O)F CSC011997398 [0,1,0,0,0,0|0,0,0]=1 164 B13R1.1511 CCOC(=O)c1ccc(cc1O)O CSC000172288 [0,1,0,0,0,0|0,0,0]=1 165 B13R1.1511 CCOC(=O)c1cnc(nc1C)C CSC011996091 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.1511 CCOC(=O)c1cnc(nc1N)C CSC011334731 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.1511 CCOC(=O)c1ncc(cc1F)F CSC000106391 [0,1,0,0,0,0|2,0,0]=3 168 B13R1.4453 CCOC(=O)c1c(cccc1Br)F CSC012357633 [0,1,0,0,0,0|1,0,0]=2 169 B13R1.4453 CCOC(=O)c1c(cccc1C)C CSC011218301 [0,1,0,0,0,0|1,0,0]=2 170 B13R1.4453 CCOC(=O)c1c(cccc1Cl)Cl CSC000170269 [0,1,0,0,0,0|1,0,0]=2 171 B13R1.4453 CCOC(=O)c1c(cccc1Cl)F CSC000170032 [0,1,0,0,0,0|1,0,0]=2 172 B13R1.4453 CCOC(=O)c1c(cccc1Cl)N CSC011899081 [0,1,0,0,0,0|1,0,0]=2 173 B13R1.4453 CCOC(=O)c1c(cccc1F)F CSC000170279 [0,1,0,0,0,0|1,0,0]=2 174 B13R1.4453 CCOC(=O)c1c(cccc1O)C CSC000034863 [0,1,0,0,0,0|0,0,0]=1 175 B11R1.199 CCNC(=O)c1cccn1C CSC000174173 [0,0,0,0,1,0|3,0,0]=4 176 B11R1.199 CCNC(=O)c1ccoc1C CSC000206257 [0,0,0,0,1,0|3,0,0]=4 177 B11R1.199 CCOC(=O)c1c[nH]cc1C CSC000047047 [0,0,0,0,1,0|2,0,0]=3 178 B11R1.199 CCOC(=O)c1cc[nH]c1C CSC000074837 [0,0,0,0,1,0|2,0,0]=3 179 B11R1.199 CCOC(=O)c1cccn1C CSC000170828 [0,0,0,0,1,0|2,0,0]=3 180 B11R1.199 CCOC(=O)c1ccnn1C CSC011581699 [0,0,0,0,1,0|3,0,0]=4 181 B11R1.199 CCOC(=O)c1ccoc1C CSC011212792 [0,0,0,0,1,0|2,0,0]=3 182 B11R1.199 CCOC(=O)c1ccsc1C CSC012181354 [0,0,0,0,1,0|2,0,0]=3 183 B11R1.199 CCOC(=O)c1cn[nH]c1C CSC011191310 [0,0,0,0,1,0|3,0,0]=4 184 B11R1.199 CCOC(=O)c1conc1C CSC000034737 [0,0,0,0,1,0|3,0,0]=4 185 B11R1.199 CCOC(=O)c1csnc1C CSC009882359 [0,0,0,0,1,0|3,0,0]=4 186 B11R1.199 CCOC(=O)c1ncoc1C CSC000698399 [0,0,0,0,1,0|3,0,0]=4 187 B11R1.199 CCOC(=O)c1sccc1Br CSC011435733 [0,0,0,0,1,0|2,0,0]=3 188 B11R1.199 CCOC(=O)c1scnc1Br CSC012038550 [0,0,0,0,1,0|3,0,0]=4 189 B13R1.470 CCCC(=O)Nc1ccccc1Br CSC000153530 [0,0,0,0,0,1|2,0,0]=3 190 B13R1.470 CCCC(=O)Nc1ccccc1C CSC000153665 [0,0,0,0,0,1|2,0,0]=3 191 B13R1.470 CCCC(=O)Nc1ccccc1N CSC011203044 [0,0,0,0,0,1|2,0,0]=3 192 B13R1.470 CCCC(=O)Nc1ccccc1O CSC000191719 [0,0,0,0,0,1|1,0,0]=2 193 B13R1.470 CCNC(=O)Cc1ccccc1Cl CSC000160231 [0,0,0,0,0,1|2,0,0]=3 194 B13R1.470 CCNC(=O)Cc1ccccc1F CSC000160198 [0,0,0,0,0,1|2,0,0]=3 195 B13R1.470 CCNC(=O)Cc1ccccc1N CSC011193781 [0,0,0,0,0,1|2,0,0]=3 196 B13R1.470 CCNC(=O)Cn1ccccc1=O CSC000175644 [0,0,0,0,0,1|2,0,1]=4 197 B13R1.470 CCNC(=O)Nc1ccccc1Br CSC000163289 [0,0,0,0,0,1|2,0,0]=3 198 B13R1.470 CCNC(=O)Nc1ccccc1C CSC000163306 [0,0,0,0,0,1|2,0,0]=3 199 B13R1.470 CCNC(=O)Nc1ccccc1Cl CSC000163340 [0,0,0,0,0,1|2,0,0]=3 200 B13R1.470 CCNC(=O)Nc1ccccc1F CSC000163421 [0,0,0,0,0,1|2,0,0]=3 201 B13R1.470 CCNC(=O)Nc1ccccc1I CSC000163384 [0,0,0,0,0,1|2,0,0]=3 202 B13R1.470 CCOC(=O)Cc1ccccc1Br CSC011218996 [0,0,0,0,0,1|1,0,0]=2 203 B13R1.470 CCOC(=O)Cc1ccccc1C CSC011212630 [0,0,0,0,0,1|1,0,0]=2 204 B13R1.470 CCOC(=O)Cc1ccccc1Cl CSC000171482 [0,0,0,0,0,1|1,0,0]=2 205 B13R1.470 CNCC(=O)Nc1ccccc1C CSC000168062 [0,0,0,0,0,1|3,0,0]=4 206 B13R1.470 CNCC(=O)Nc1ccccc1F CSC000168117 [0,0,0,0,0,1|3,0,0]=4 207 B13R1.470 COCC(=O)Nc1ccccc1Br CSC000158336 [0,0,0,0,0,1|3,0,0]=4 208 B13R1.470 COCC(=O)Nc1ccccc1C CSC000158363 [0,0,0,0,0,1|3,0,0]=4 209 B13R1.470 COCC(=O)Nc1ccccc1Cl CSC000158511 [0,0,0,0,0,1|3,0,0]=4 210 B13R1.470 COCC(=O)Nc1ccccc1F CSC000159031 [0,0,0,0,0,1|3,0,0]=4 211 B13R1.470 Cc1ccccc1NC(=O)CCN CSC011202973 [0,0,0,0,0,1|3,0,0]=4 212 B13R1.470 Oc1ccccc1NC(=O)CC#N CSC000187971 [0,0,0,0,0,1|2,0,1]=4 213 B10R1.17 CCCSc1ccccc1 CSC000005822 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.17 CCSCc1ccccc1 CSC000006444 [2,0,0,0,0,0|0,1,1]=4 215 B10R1.4 CCNc1ccccc1Cl CSC000219383 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.4 CCOc1ccccc1Cl CSC000169953 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.4 CCOc1ccccc1F CSC000172994 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.4 CCSc1ccccc1C CSC000053911 [2,0,0,0,0,0|1,1,0]=4 219 B10R1.4 CCSc1ccccc1Cl CSC000006683 [2,0,0,0,0,0|1,1,0]=4 220 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [2,0,0,0,0,0|2,0,0]=4 224 B12R1.16 CCNC(=O)c1ccc(cc1)Br CSC000155174 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.16 CCNC(=O)c1ccc(cc1)C CSC000160135 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.16 CCNC(=O)c1ccc(cc1)Cl CSC000160097 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.16 CCNC(=O)c1ccc(cc1)F CSC000160094 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.16 CCNC(=O)c1ccc(cc1)I CSC000155177 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.16 CCNC(=O)c1ccc(cc1)N CSC000741011 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.16 CCNC(=O)c1ccc(cn1)Br CSC011781264 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.16 CCOC(=O)c1cc[n+](cc1)[O-] CSC000005895 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.16 CCOC(=O)c1ccc(cc1)Br CSC000169895 [1,1,0,0,0,0|0,0,0]=2 233 B12R1.16 CCOC(=O)c1ccc(cc1)Cl CSC000169919 [1,1,0,0,0,0|0,0,0]=2 234 B12R1.16 CCOC(=O)c1ccc(cc1)F CSC000169906 [1,1,0,0,0,0|0,0,0]=2 235 B12R1.16 CCOC(=O)c1ccc(cc1)I CSC000170077 [1,1,0,0,0,0|0,0,0]=2 236 B12R1.16 CCOC(=O)c1ccc(cn1)Br CSC011781174 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.16 CCOC(=O)c1ccc(cn1)F CSC012003450 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.16 CCOC(=O)c1ccc(nc1)C CSC011213257 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.16 CCOC(=O)c1ccc(nc1)F CSC012183745 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.17 CCNC(=O)c1cc(ccn1)Cl CSC000194128 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.17 CCNC(=O)c1cccc(c1)Br CSC000155180 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.17 CCNC(=O)c1cccc(c1)C CSC000160206 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.17 CCNC(=O)c1cccc(c1)Cl CSC000160110 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.17 CCNC(=O)c1cccc(c1)F CSC000160200 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.17 CCNC(=O)c1cccc(c1)I CSC000155182 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.17 CCNC(=O)c1cccc(c1)N CSC000181407 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.17 CCOC(=O)c1cccc(c1)Br CSC000170152 [1,1,0,0,0,0|0,0,0]=2 248 B12R1.17 CCOC(=O)c1cccc(c1)C CSC000170498 [1,1,0,0,0,0|0,0,0]=2 249 B12R1.17 CCOC(=O)c1cccc(c1)Cl CSC000170058 [1,1,0,0,0,0|0,0,0]=2 250 B12R1.17 CCOC(=O)c1cccc(c1)F CSC000170323 [1,1,0,0,0,0|0,0,0]=2 251 B12R1.17 CCOC(=O)c1cccc(c1)I CSC000170211 [1,1,0,0,0,0|0,0,0]=2 252 B12R1.17 CCOC(=O)c1cccc(c1)O CSC000169910 [1,1,0,0,0,0|0,0,0]=2 253 B12R1.17 CCOC(=O)c1ccnc(c1)C CSC011935281 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.17 CCOC(=O)c1cncc(c1)Br CSC000170250 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.17 CCOC(=O)c1cncc(c1)F CSC012017147 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.17 CCOC(=O)c1cncc(c1)O CSC000185702 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.30 C=CCNC(=O)c1ccccc1 CSC000160304 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.30 C=CCOC(=O)c1ccccc1 CSC000006409 [1,1,0,0,0,0|0,0,1]=3 259 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.30 CCCOC(=O)c1ccccn1 CSC000169884 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.30 NCCNC(=O)c1ccccn1 CSC011198448 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.30 NCCNC(=O)c1ccncc1 CSC011198449 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.30 O=C(NCC#C)c1ccccc1 CSC000175919 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.30 O=C(OCC#C)c1ccccc1 CSC000006640 [1,1,0,0,0,0|0,0,1]=3 265 B12R1.30 OCCNC(=O)c1ccccn1 CSC000158865 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.39 CCCS(=O)(=O)c1ccccc1 CSC000031128 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.39 CCNS(=O)(=O)c1ccccc1 CSC000165186 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.107 CC(C)NC(=O)c1ccccc1 CSC000157549 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.107 CC(C)NC(=O)c1cccnc1 CSC000157531 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.107 CC(C)OC(=O)c1ccccc1 CSC000170135 [1,1,0,0,0,0|0,0,0]=2 271 B12R1.107 CC(C)OC(=O)c1ccccn1 CSC000169883 [1,1,0,0,0,0|1,0,0]=3 272 B12R1.121 CCCOc1ccccc1CO CSC011232767 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.121 CCCSc1ccccc1OC CSC000055745 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.121 CCNCc1ccccc1OC CSC000186928 [1,1,0,0,0,0|1,0,1]=4 275 B12R1.121 CCSCc1ccccc1OC CSC000044553 [1,1,0,0,0,0|0,1,1]=4 276 B12R1.24 COC(=O)c1cccc(=O)n1C CSC000730068 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.24 COC(=O)c1cccc(c1Br)C CSC012339457 [1,1,0,0,0,0|1,0,0]=3 278 B12R1.24 COC(=O)c1cccc(c1Br)F CSC012357630 [1,1,0,0,0,0|1,0,0]=3 279 B12R1.24 COC(=O)c1cccc(c1C)Br CSC012298220 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.24 COC(=O)c1cccc(c1C)C CSC000149159 [1,1,0,0,0,0|1,0,0]=3 281 B12R1.24 COC(=O)c1cccc(c1C)I CSC010168159 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.24 COC(=O)c1cccc(c1C)O CSC011999632 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.24 COC(=O)c1cccc(c1Cl)Br CSC012349815 [1,1,0,0,0,0|1,0,0]=3 284 B12R1.24 COC(=O)c1cccc(c1Cl)C CSC012002529 [1,1,0,0,0,0|1,0,0]=3 285 B12R1.24 COC(=O)c1cccc(c1Cl)Cl CSC000148926 [1,1,0,0,0,0|1,0,0]=3 286 B12R1.24 COC(=O)c1cccc(c1F)Br CSC012355674 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.24 COC(=O)c1cccc(c1F)C CSC012001762 [1,1,0,0,0,0|1,0,0]=3 288 B12R1.24 COC(=O)c1cccc(c1F)Cl CSC011997369 [1,1,0,0,0,0|1,0,0]=3 289 B12R1.24 COC(=O)c1cccc(c1F)F CSC011220063 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.24 COC(=O)c1cccc(c1I)C CSC011294812 [1,1,0,0,0,0|1,0,0]=3 291 B12R1.24 COC(=O)c1cccc(c1I)F CSC010151095 [1,1,0,0,0,0|1,0,0]=3 292 B12R1.24 COC(=O)c1cccc(c1N)Br CSC011356556 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.24 COC(=O)c1cccc(c1N)Cl CSC011356568 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.24 COC(=O)c1cccc(c1N)F CSC000707970 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.24 COC(=O)c1cccc(c1N)I CSC000055437 [1,1,0,0,0,0|1,0,0]=3 296 B12R1.24 COC(=O)c1cccc(c1O)Br CSC009816214 [1,1,0,0,0,0|0,0,0]=2 297 B12R1.24 COC(=O)c1cccc(c1O)C CSC000149854 [1,1,0,0,0,0|0,0,0]=2 298 B12R1.24 COC(=O)c1ccnc(c1F)F CSC012662669 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.24 Cc1cccc(c1O)C(=O)NN CSC000193353 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.77 CNC(=O)c1ccccc1SC CSC000159722 [1,1,0,0,0,0|1,1,0]=4 302 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [1,1,0,0,0,0|0,0,0]=2 303 B12R1.77 COC(=O)c1ccccc1SC CSC000151494 [1,1,0,0,0,0|0,1,0]=3 304 B12R1.77 COC(=O)c1cccnc1OC CSC011203184 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.77 COC(=O)c1cccnc1SC CSC000149765 [1,1,0,0,0,0|1,1,0]=4 306 B12R1.77 COC(=O)c1ncccc1OC CSC011997691 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.77 COc1ccccc1C(=O)NN CSC000189102 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.124 CN(C)C(=O)c1ccccc1C CSC000159597 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.124 CN(C)C(=O)c1ccccc1Cl CSC000159527 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.124 CN(C)C(=O)c1ccccc1F CSC000159560 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.124 CN(C)C(=O)c1ccccc1I CSC000159584 [1,1,0,0,0,0|2,0,0]=4 312 B12R1.354 CNC(=O)c1cc(ccc1C)C CSC000159876 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br CSC000155089 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.354 CNC(=O)c1cc(ccc1F)F CSC000194209 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.354 CNC(=O)c1cc(ccc1I)Cl CSC011279454 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.354 COC(=O)c1cc(ccc1Br)Br CSC011218029 [1,1,0,0,0,0|1,0,0]=3 317 B12R1.354 COC(=O)c1cc(ccc1Br)C CSC012339458 [1,1,0,0,0,0|1,0,0]=3 318 B12R1.354 COC(=O)c1cc(ccc1Br)Cl CSC011228367 [1,1,0,0,0,0|1,0,0]=3 319 B12R1.354 COC(=O)c1cc(ccc1Br)F CSC000205820 [1,1,0,0,0,0|1,0,0]=3 320 B12R1.354 COC(=O)c1cc(ccc1Br)I CSC012340073 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.354 COC(=O)c1cc(ccc1C)Br CSC000703529 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.354 COC(=O)c1cc(ccc1C)C CSC000148939 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.354 COC(=O)c1cc(ccc1C)Cl CSC012000380 [1,1,0,0,0,0|1,0,0]=3 324 B12R1.354 COC(=O)c1cc(ccc1C)I CSC012360116 [1,1,0,0,0,0|1,0,0]=3 325 B12R1.354 COC(=O)c1cc(ccc1Cl)Br CSC000149116 [1,1,0,0,0,0|1,0,0]=3 326 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl CSC000148927 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.354 COC(=O)c1cc(ccc1Cl)F CSC011997379 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.354 COC(=O)c1cc(ccc1Cl)I CSC012353682 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.354 COC(=O)c1cc(ccc1Cl)O CSC012001761 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.354 COC(=O)c1cc(ccc1F)C CSC000703722 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.354 COC(=O)c1cc(ccc1F)F CSC000194029 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.354 COC(=O)c1cc(ccc1F)I CSC012350775 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.354 COC(=O)c1cc(ccc1I)Br CSC000148213 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.354 COC(=O)c1cc(ccc1I)F CSC000058944 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.354 COC(=O)c1cc(ccc1N)C CSC000216452 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.354 COC(=O)c1cc(ccc1N)Cl CSC000172362 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.354 COC(=O)c1cc(ccc1N)F CSC000173281 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.354 COC(=O)c1cc(ccc1O)C CSC000216618 [1,1,0,0,0,0|0,0,0]=2 339 B12R1.354 COC(=O)c1cc(ccc1O)F CSC011219540 [1,1,0,0,0,0|0,0,0]=2 340 B12R1.354 COC(=O)c1cc(ccc1O)I CSC000149868 [1,1,0,0,0,0|0,0,0]=2 341 B12R1.354 COC(=O)c1cc(ccc1O)O CSC011203519 [1,1,0,0,0,0|0,0,0]=2 342 B12R1.354 COC(=O)c1cc(cnc1F)Br CSC010243567 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.354 Cc1ccc(c(c1)C(=O)NN)O CSC000193374 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.354 NNC(=O)c1cc(ccc1O)Br CSC000193350 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.1703 CNC(=O)c1ccc(cc1C)C CSC000159917 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br CSC011372354 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C CSC000188180 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl CSC000159828 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.1703 CNC(=O)c1ccc(cc1Cl)N CSC000742945 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.1703 CNC(=O)c1ccc(cc1F)Br CSC000233932 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl CSC011190852 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.1703 CNC(=O)c1ccc(cc1F)F CSC000159900 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.1703 COC(=O)c1ccc(cc1Br)Br CSC012357387 [1,1,0,0,0,0|1,0,0]=3 354 B12R1.1703 COC(=O)c1ccc(cc1Br)C CSC012340597 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.1703 COC(=O)c1ccc(cc1Br)Cl CSC012359205 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.1703 COC(=O)c1ccc(cc1Br)F CSC000204356 [1,1,0,0,0,0|1,0,0]=3 357 B12R1.1703 COC(=O)c1ccc(cc1C)C CSC000149307 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.1703 COC(=O)c1ccc(cc1C)Cl CSC012000500 [1,1,0,0,0,0|1,0,0]=3 359 B12R1.1703 COC(=O)c1ccc(cc1C)F CSC011997371 [1,1,0,0,0,0|1,0,0]=3 360 B12R1.1703 COC(=O)c1ccc(cc1Cl)C CSC012179639 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl CSC000150782 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.1703 COC(=O)c1ccc(cc1Cl)F CSC000149744 [1,1,0,0,0,0|1,0,0]=3 363 B12R1.1703 COC(=O)c1ccc(cc1Cl)I CSC000060724 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.1703 COC(=O)c1ccc(cc1F)C CSC000697821 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.1703 COC(=O)c1ccc(cc1F)Cl CSC000216677 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.1703 COC(=O)c1ccc(cc1F)F CSC000149155 [1,1,0,0,0,0|1,0,0]=3 367 B12R1.1703 COC(=O)c1ccc(cc1F)I CSC010244672 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.1703 COC(=O)c1ccc(cc1F)N CSC000688129 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.1703 COC(=O)c1ccc(cc1F)O CSC011999631 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.1703 COC(=O)c1ccc(cc1N)Cl CSC000170103 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.1703 COC(=O)c1ccc(cc1N)F CSC000740600 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.1703 COC(=O)c1ccc(cc1N)I CSC010172136 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.1703 COC(=O)c1ccc(cc1O)F CSC011216117 [1,1,0,0,0,0|0,0,0]=2 374 B12R1.1703 COC(=O)c1ncc(cc1F)F CSC000106392 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN CSC000193368 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl CSC011195916 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.3441 CNC(=O)c1c(cccc1F)F CSC011195917 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.3441 COC(=O)c1c(cccc1Br)C CSC010204206 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.3441 COC(=O)c1c(cccc1Br)Cl CSC012340579 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.3441 COC(=O)c1c(cccc1Br)N CSC010253892 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.3441 COC(=O)c1c(cccc1C)C CSC011997366 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.3441 COC(=O)c1c(cccc1Cl)Cl CSC000148928 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.3441 COC(=O)c1c(cccc1F)F CSC000148932 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.3441 COC(=O)c1c(cccc1F)O CSC011216559 [1,1,0,0,0,0|0,0,0]=2 385 B12R1.3441 COC(=O)c1c(cccc1I)C CSC010187551 [1,1,0,0,0,0|1,0,0]=3 386 B12R1.3441 COC(=O)c1c(cccc1I)F CSC010254406 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.313 CCOC(=O)c1cc([nH]c1C)C CSC000017727 [0,1,0,0,1,0|2,0,0]=4 388 B12R1.313 CCOC(=O)c1cc(oc1C)C CSC000170599 [0,1,0,0,1,0|2,0,0]=4 389 B12R1.313 CCOC(=O)c1cc(sc1Cl)Cl CSC011212700 [0,1,0,0,1,0|2,0,0]=4 390 B12R1.1579 CCOC(=O)c1csc(c1C)C CSC011203568 [0,1,0,0,1,0|2,0,0]=4 391 B14R1.17 CCCC(=O)Nc1cccc(c1C)C CSC000153692 [0,1,0,0,0,1|2,0,0]=4 392 B14R1.17 CCCC(=O)Nc1cccc(c1C)N CSC000745169 [0,1,0,0,0,1|2,0,0]=4 393 B14R1.17 CCCC(=O)Nc1cccc(c1Cl)Cl CSC000155694 [0,1,0,0,0,1|2,0,0]=4 394 B14R1.17 CCCC(=O)Oc1cccc(c1C)C CSC000002140 [0,1,0,0,0,1|2,0,0]=4 395 B14R1.17 CCNC(=O)Nc1cccc(c1C)C CSC000163314 [0,1,0,0,0,1|2,0,0]=4 396 B14R1.17 CCNC(=O)Nc1cccc(c1C)Cl CSC000163423 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.17 CCNC(=O)Nc1cccc(c1Cl)Cl CSC000163591 [0,1,0,0,0,1|2,0,0]=4 398 B14R1.17 CCOC(=O)Cc1cccc(c1Cl)Cl CSC011667339 [0,1,0,0,0,1|1,0,0]=3 399 B14R1.17 CCOC(=O)Cc1cccc(c1F)Cl CSC012360105 [0,1,0,0,0,1|1,0,0]=3 400 B14R1.337 CC(C)CC(=O)Nc1ccccc1Br CSC000153540 [0,1,0,0,0,1|2,0,0]=4 401 B14R1.337 CC(C)CC(=O)Nc1ccccc1C CSC000001629 [0,1,0,0,0,1|2,0,0]=4 402 B14R1.337 CC(C)CC(=O)Nc1ccccc1F CSC000002040 [0,1,0,0,0,1|2,0,0]=4 403 B14R1.337 CC(C)CC(=O)Nc1ccccc1N CSC011193550 [0,1,0,0,0,1|2,0,0]=4 404 B14R1.337 CC(C)NC(=O)Cc1ccccc1Cl CSC000157632 [0,1,0,0,0,1|2,0,0]=4 405 B14R1.337 CC(C)NC(=O)Cc1ccccc1F CSC000157607 [0,1,0,0,0,1|2,0,0]=4 406 B14R1.337 CC(C)NC(=O)Cc1ccccc1N CSC011193735 [0,1,0,0,0,1|2,0,0]=4 407 B14R1.337 CC(C)NC(=O)Nc1ccccc1C CSC011257032 [0,1,0,0,0,1|2,0,0]=4 408 B14R1.337 CC(C)NC(=O)Nc1ccccc1Cl CSC000163090 [0,1,0,0,0,1|2,0,0]=4 409 B14R1.337 CC(C)NC(=O)Nc1ccccc1F CSC000163080 [0,1,0,0,0,1|2,0,0]=4 410 B14R1.337 CC(N)CC(=O)Nc1ccccc1Cl CSC011357081 [0,1,0,0,0,1|2,0,0]=4 411 B14R1.946 CCCCC(=O)Nc1ccccc1Br CSC000153529 [0,1,0,0,0,1|2,0,0]=4 412 B14R1.946 CCCCC(=O)Nc1ccccc1Cl CSC046601319 [0,1,0,0,0,1|2,0,0]=4 413 B14R1.946 CCCCC(=O)Nc1ccccc1F CSC030262511 [0,1,0,0,0,1|2,0,0]=4 414 B14R1.946 CCCCC(=O)Nc1ccccc1N CSC011203045 [0,1,0,0,0,1|2,0,0]=4 415 B14R1.946 CCCCC(=O)Nc1ccccc1O CSC000016616 [0,1,0,0,0,1|1,0,0]=3 416 B14R1.946 CCCNC(=O)Cc1ccccc1Cl CSC000161805 [0,1,0,0,0,1|2,0,0]=4 417 B14R1.946 CCCNC(=O)Cc1ccccc1F CSC000161780 [0,1,0,0,0,1|2,0,0]=4 418 B14R1.946 CCCNC(=O)Cc1ccccc1N CSC011193707 [0,1,0,0,0,1|2,0,0]=4 419 B14R1.946 CCCNC(=O)Nc1ccccc1Br CSC000163288 [0,1,0,0,0,1|2,0,0]=4 420 B14R1.946 CCCNC(=O)Nc1ccccc1C CSC000163305 [0,1,0,0,0,1|2,0,0]=4 421 B14R1.946 CCCNC(=O)Nc1ccccc1Cl CSC000163339 [0,1,0,0,0,1|2,0,0]=4 422 B14R1.946 CCCNC(=O)Nc1ccccc1F CSC000163420 [0,1,0,0,0,1|2,0,0]=4 423 B14R1.946 CCCNC(=O)Nc1ccccc1I CSC000163383 [0,1,0,0,0,1|2,0,0]=4 424 B14R1.946 CCOCC(=O)Nc1ccccc1C CSC000158364 [0,1,0,0,0,1|1,0,0]=3 425 B14R1.946 CCOCC(=O)Nc1ccccc1N CSC011194968 [0,1,0,0,0,1|1,0,0]=3 426 B14R1.946 CNCCC(=O)Nc1ccccc1Cl CSC011534680 [0,1,0,0,0,1|2,0,0]=4 427 B14R1.946 Cc1ccccc1CC(=O)NCCO CSC000175695 [0,1,0,0,0,1|2,0,0]=4 428 B14R1.946 NCCCC(=O)Nc1ccccc1Cl CSC011225829 [0,1,0,0,0,1|2,0,0]=4 429 B14R1.946 NCCNC(=O)Cc1ccccc1Br CSC020106064 [0,1,0,0,0,1|2,0,0]=4 430 B14R1.946 NCCNC(=O)Cc1ccccc1Cl CSC011208242 [0,1,0,0,0,1|2,0,0]=4 431 B14R1.950 CCCC(=O)Nc1cc(ccc1C)C CSC000152687 [0,1,0,0,0,1|2,0,0]=4 432 B14R1.950 CCCC(=O)Nc1cc(ccc1C)Cl CSC000152471 [0,1,0,0,0,1|2,0,0]=4 433 B14R1.950 CCCC(=O)Nc1cc(ccc1C)F CSC000155782 [0,1,0,0,0,1|2,0,0]=4 434 B14R1.950 CCCC(=O)Nc1cc(ccc1C)N CSC011203059 [0,1,0,0,0,1|2,0,0]=4 435 B14R1.950 CCCC(=O)Nc1cc(ccc1Cl)Cl CSC000153942 [0,1,0,0,0,1|2,0,0]=4 436 B14R1.950 CCCC(=O)Nc1cc(ccc1F)F CSC000155525 [0,1,0,0,0,1|2,0,0]=4 437 B14R1.950 CCCC(=O)Nc1cc(ccc1O)C CSC000024761 [0,1,0,0,0,1|1,0,0]=3 438 B14R1.950 CCNC(=O)Cc1cc(ccc1C)C CSC011808990 [0,1,0,0,0,1|2,0,0]=4 439 B14R1.950 CCNC(=O)Nc1cc(ccc1C)C CSC000163116 [0,1,0,0,0,1|2,0,0]=4 440 B14R1.950 CCNC(=O)Nc1cc(ccc1C)Cl CSC000163741 [0,1,0,0,0,1|2,0,0]=4 441 B14R1.950 CCNC(=O)Nc1cc(ccc1Cl)Cl CSC000163355 [0,1,0,0,0,1|2,0,0]=4 442 B14R1.950 CCNC(=O)Nc1cc(ccc1F)F CSC000163540 [0,1,0,0,0,1|2,0,0]=4 443 B14R1.950 CCOC(=O)Cc1cc(ccc1Br)F CSC012360567 [0,1,0,0,0,1|1,0,0]=3 444 B14R1.950 CCOC(=O)Cc1cc(ccc1C)C CSC011694957 [0,1,0,0,0,1|1,0,0]=3 445 B14R1.950 CCOC(=O)Cc1cc(ccc1F)F CSC011216862 [0,1,0,0,0,1|1,0,0]=3 446 B14R1.950 COCC(=O)Nc1cc(ccc1O)C CSC015507093 [0,1,0,0,0,1|2,0,0]=4 447 B14R1.950 COCC(=O)Nc1cc(ccc1O)Cl CSC015966409 [0,1,0,0,0,1|2,0,0]=4 448 B14R1.965 CCCC(=O)Nc1ccccc1CC CSC000154701 [0,1,0,0,0,1|2,0,0]=4 449 B14R1.965 CCCC(=O)Nc1ccccc1OC CSC000153684 [0,1,0,0,0,1|1,0,0]=3 450 B14R1.965 CCCC(=O)Nc1ccccc1SC CSC000151976 [0,1,0,0,0,1|1,1,0]=4 451 B14R1.965 CCCC(=O)Oc1ccccc1OC CSC000002004 [0,1,0,0,0,1|1,0,0]=3 452 B14R1.965 CCNC(=O)Nc1ccccc1CC CSC000163033 [0,1,0,0,0,1|2,0,0]=4 453 B14R1.965 CCNC(=O)Nc1ccccc1OC CSC000163312 [0,1,0,0,0,1|1,0,0]=3 454 B14R1.965 CCNC(=O)Nc1ccccc1SC CSC000163676 [0,1,0,0,0,1|1,1,0]=4 455 B14R1.965 CCOC(=O)Cc1ccccc1OC CSC000171726 [0,1,0,0,0,1|0,0,0]=2 456 B14R1.965 CNCC(=O)Nc1ccccc1OC CSC000168100 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.965 COc1ccccc1NC(=O)CCN CSC011202971 [0,1,0,0,0,1|2,0,0]=4 458 B14R1.1007 CCC(C)C(=O)Nc1ccccc1Br CSC011192964 [0,1,0,0,0,1|2,0,0]=4 459 B14R1.1007 CCC(C)C(=O)Nc1ccccc1C CSC037669467 [0,1,0,0,0,1|2,0,0]=4 460 B14R1.1007 CCC(C)C(=O)Nc1ccccc1Cl CSC046246513 [0,1,0,0,0,1|2,0,0]=4 461 B14R1.1007 CCC(C)C(=O)Nc1ccccc1N CSC011193558 [0,1,0,0,0,1|2,0,0]=4 462 B14R1.1007 CCC(C)C(=O)Nc1ccccc1O CSC021119820 [0,1,0,0,0,1|1,0,0]=3 463 B14R1.1007 CC[C@H](N)C(=O)Nc1ccccc1Cl CSC012363463 [0,1,0,0,0,1|2,0,0]=4 464 B14R1.6823 CCCC(=O)Nc1ccc(cc1Br)Br CSC000151922 [0,1,0,0,0,1|2,0,0]=4 465 B14R1.6823 CCCC(=O)Nc1ccc(cc1Br)C CSC000152036 [0,1,0,0,0,1|2,0,0]=4 466 B14R1.6823 CCCC(=O)Nc1ccc(cc1C)Br CSC000152124 [0,1,0,0,0,1|2,0,0]=4 467 B14R1.6823 CCCC(=O)Nc1ccc(cc1C)C CSC000153700 [0,1,0,0,0,1|2,0,0]=4 468 B14R1.6823 CCCC(=O)Nc1ccc(cc1C)I CSC000154930 [0,1,0,0,0,1|2,0,0]=4 469 B14R1.6823 CCCC(=O)Nc1ccc(cc1Cl)Br CSC000154782 [0,1,0,0,0,1|2,0,0]=4 470 B14R1.6823 CCCC(=O)Nc1ccc(cc1Cl)Cl CSC000154246 [0,1,0,0,0,1|2,0,0]=4 471 B14R1.6823 CCCC(=O)Nc1ccc(cc1Cl)I CSC011273300 [0,1,0,0,0,1|2,0,0]=4 472 B14R1.6823 CCCC(=O)Nc1ccc(cc1F)Br CSC000155588 [0,1,0,0,0,1|2,0,0]=4 473 B14R1.6823 CCCC(=O)Nc1ccc(cc1F)Cl CSC000155774 [0,1,0,0,0,1|2,0,0]=4 474 B14R1.6823 CCCC(=O)Nc1ccc(cc1F)F CSC000155517 [0,1,0,0,0,1|2,0,0]=4 475 B14R1.6823 CCCC(=O)Nc1ccc(cc1F)I CSC017867405 [0,1,0,0,0,1|2,0,0]=4 476 B14R1.6823 CCCC(=O)Nc1ccc(cc1I)F CSC012639599 [0,1,0,0,0,1|2,0,0]=4 477 B14R1.6823 CCCC(=O)Oc1ccc(cc1C)C CSC000001407 [0,1,0,0,0,1|2,0,0]=4 478 B14R1.6823 CCNC(=O)Nc1ccc(cc1Br)C CSC000163693 [0,1,0,0,0,1|2,0,0]=4 479 B14R1.6823 CCNC(=O)Nc1ccc(cc1C)Br CSC000163069 [0,1,0,0,0,1|2,0,0]=4 480 B14R1.6823 CCNC(=O)Nc1ccc(cc1C)C CSC000163316 [0,1,0,0,0,1|2,0,0]=4 481 B14R1.6823 CCNC(=O)Nc1ccc(cc1C)Cl CSC000163417 [0,1,0,0,0,1|2,0,0]=4 482 B14R1.6823 CCNC(=O)Nc1ccc(cc1Cl)Cl CSC000163425 [0,1,0,0,0,1|2,0,0]=4 483 B14R1.6823 CCNC(=O)Nc1ccc(cc1F)F CSC000163538 [0,1,0,0,0,1|2,0,0]=4 484 B14R1.6823 CCOC(=O)Cc1ccc(cc1Br)F CSC012558204 [0,1,0,0,0,1|1,0,0]=3 485 B14R1.6823 CCOC(=O)Cc1ccc(cc1Cl)Cl CSC000170352 [0,1,0,0,0,1|1,0,0]=3 486 B14R1.6823 CCOC(=O)Cc1ccc(cc1Cl)F CSC012359629 [0,1,0,0,0,1|1,0,0]=3 487 B14R1.6823 CCOC(=O)Cc1ccc(cc1F)Br CSC012359708 [0,1,0,0,0,1|1,0,0]=3 488 B14R1.6823 COCC(=O)Nc1ccc(cc1O)C CSC000161869 [0,1,0,0,0,1|2,0,0]=4 489 B14R1.19171 CCCC(=O)Nc1c(cccc1F)F CSC000155702 [0,1,0,0,0,1|2,0,0]=4 490 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)F CSC000160150 [0,1,0,0,0,1|2,0,0]=4 491 B14R1.19171 CCNC(=O)Nc1c(cccc1C)C CSC000163748 [0,1,0,0,0,1|2,0,0]=4 492 B14R1.19171 CCNC(=O)Nc1c(cccc1Cl)C CSC012337748 [0,1,0,0,0,1|2,0,0]=4 493 B14R1.19171 CCNC(=O)Nc1c(cccc1F)F CSC000163593 [0,1,0,0,0,1|2,0,0]=4 494 B14R1.19171 CCOC(=O)Cc1c(cccc1Cl)Cl CSC000170411 [0,1,0,0,0,1|1,0,0]=3 495 B14R1.19171 CCOC(=O)Cc1c(cccc1Cl)F CSC000170254 [0,1,0,0,0,1|1,0,0]=3 496 B14R1.19171 CCOC(=O)Cc1c(cccc1F)F CSC011218143 [0,1,0,0,0,1|1,0,0]=3 497 B14R1.16 Cc1c(cccc1C(=O)NCCN)Br CSC012298104 [0,2,0,0,0,0|2,0,0]=4 498 B14R1.16 Cc1c(cccc1C(=O)NCCN)Cl CSC014170679 [0,2,0,0,0,0|2,0,0]=4 499 B14R1.16 Cc1c(cccc1C(=O)NCCN)I CSC057670783 [0,2,0,0,0,0|2,0,0]=4 500 B14R1.16 Cc1cccc(c1Cl)C(=O)NCCN CSC013044868 [0,2,0,0,0,0|2,0,0]=4 501 B14R1.16 Cc1cccc(c1I)C(=O)NCCN CSC012926071 [0,2,0,0,0,0|2,0,0]=4 502 B14R1.152 CC(C)OC(=O)c1cccc(c1N)Br CSC011356559 [0,2,0,0,0,0|1,0,0]=3 503 B14R1.152 CC(C)OC(=O)c1cccc(c1N)Cl CSC011213112 [0,2,0,0,0,0|1,0,0]=3 504 B14R1.7265 CCNC(=O)c1ccc(c(c1F)F)F CSC012639157 [0,2,0,0,0,0|2,0,0]=4 505 B14R1.7265 CCOC(=O)c1ccc(c(c1F)F)F CSC011216564 [0,2,0,0,0,0|1,0,0]=3 506 B14R1.243 CC(C)N(C)C(=O)c1ccccc1N CSC011193792 [0,2,0,0,0,0|2,0,0]=4 507 B14R1.587 CCC(C)NC(=O)c1ccccc1Br CSC000152809 [0,2,0,0,0,0|2,0,0]=4 508 B14R1.587 CCC(C)NC(=O)c1ccccc1C CSC000157931 [0,2,0,0,0,0|2,0,0]=4 509 B14R1.587 CCC(C)NC(=O)c1ccccc1Cl CSC000157888 [0,2,0,0,0,0|2,0,0]=4 510 B14R1.587 CCC(C)NC(=O)c1ccccc1F CSC000157910 [0,2,0,0,0,0|2,0,0]=4 511 B14R1.587 CCC(C)NC(=O)c1ccccc1I CSC000152814 [0,2,0,0,0,0|2,0,0]=4 512 B14R1.587 C[C@H](CN)NC(=O)c1ccccc1Br CSC013523443 [0,2,0,0,0,0|2,0,0]=4 513 B14R1.587 C[C@H](CN)NC(=O)c1ccccc1Cl CSC013523444 [0,2,0,0,0,0|2,0,0]=4 514 B14R1.587 C[C@H](CN)NC(=O)c1ccccc1I CSC013523550 [0,2,0,0,0,0|2,0,0]=4 515 B14R1.840 COc1ccccc1C(=O)NC(C)C CSC000157533 [0,2,0,0,0,0|1,0,0]=3 516 B14R1.840 CSc1ccccc1C(=O)NC(C)C CSC000157490 [0,2,0,0,0,0|1,1,0]=4 517 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1Cl CSC000171312 [0,2,0,0,0,0|2,0,0]=4 518 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1F CSC000171329 [0,2,0,0,0,0|2,0,0]=4 519 B14R1.4451 CC(C)(C)NC(=O)c1ccccc1I CSC000154202 [0,2,0,0,0,0|2,0,0]=4 520 B14R1.5958 CC(C)NC(=O)c1c(cccc1Cl)Cl CSC000171938 [0,2,0,0,0,0|2,0,0]=4 521 B14R1.5958 CC(C)NC(=O)c1c(cccc1F)F CSC000171939 [0,2,0,0,0,0|2,0,0]=4 522 B14R1.6048 CC(C)NC(=O)c1ccc(cc1C)C CSC000157606 [0,2,0,0,0,0|2,0,0]=4 523 B14R1.6048 CC(C)NC(=O)c1ccc(cc1Cl)C CSC000189043 [0,2,0,0,0,0|2,0,0]=4 524 B14R1.6048 CC(C)NC(=O)c1ccc(cc1Cl)Cl CSC000157543 [0,2,0,0,0,0|2,0,0]=4 525 B14R1.6048 CC(C)NC(=O)c1ccc(cc1Cl)N CSC011193731 [0,2,0,0,0,0|2,0,0]=4 526 B14R1.6048 CC(C)NC(=O)c1ccc(cc1F)Cl CSC000215400 [0,2,0,0,0,0|2,0,0]=4 527 B14R1.6048 CC(C)NC(=O)c1ccc(cc1F)F CSC000157594 [0,2,0,0,0,0|2,0,0]=4 528 B14R1.6048 CC(C)NC(=O)c1ccc(cc1N)Br CSC012631893 [0,2,0,0,0,0|2,0,0]=4 529 B14R1.6048 CC(C)OC(=O)c1ccc(cc1Cl)N CSC011434792 [0,2,0,0,0,0|1,0,0]=3 530 B14R1.6048 CC(C)OC(=O)c1ccc(cc1N)Cl CSC000170105 [0,2,0,0,0,0|1,0,0]=3 531 B14R1.6048 CC(C)OC(=O)c1ccc(cc1N)Cl CSC000170105 [0,2,0,0,0,0|1,0,0]=3 532 B14R1.6052 CC(C)NC(=O)c1cc(ccc1Br)F CSC000205832 [0,2,0,0,0,0|2,0,0]=4 533 B14R1.6052 CC(C)NC(=O)c1cc(ccc1C)C CSC000157578 [0,2,0,0,0,0|2,0,0]=4 534 B14R1.6052 CC(C)NC(=O)c1cc(ccc1Cl)Br CSC000152639 [0,2,0,0,0,0|2,0,0]=4 535 B14R1.6052 CC(C)NC(=O)c1cc(ccc1Cl)Cl CSC000157574 [0,2,0,0,0,0|2,0,0]=4 536 B14R1.6052 CC(C)NC(=O)c1cc(ccc1F)Br CSC000152623 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.6052 CC(C)NC(=O)c1cc(ccc1F)F CSC000194097 [0,2,0,0,0,0|2,0,0]=4 538 B14R1.6052 CC(C)NC(=O)c1cc(ccc1I)Cl CSC011279410 [0,2,0,0,0,0|2,0,0]=4 539 B14R1.6052 CC(C)NC(=O)c1cc(ccc1O)Br CSC000152643 [0,2,0,0,0,0|1,0,0]=3 540 B14R1.6052 CC(C)OC(=O)c1cc(ccc1Cl)N CSC011360748 [0,2,0,0,0,0|1,0,0]=3 541 B14R1.6052 CC(C)OC(=O)c1cc(ccc1N)Br CSC011212097 [0,2,0,0,0,0|1,0,0]=3 542 B14R1.6052 CC(C)OC(=O)c1cc(ccc1N)Cl CSC000172469 [0,2,0,0,0,0|1,0,0]=3 543 B14R1.599 CCNC(=O)c1cc(ccc1OC)Br CSC012273785 [0,2,0,0,0,0|1,0,0]=3 544 B14R1.599 CCNC(=O)c1cc(ccc1OC)Cl CSC000160202 [0,2,0,0,0,0|1,0,0]=3 545 B14R1.601 CCOC(=O)c1cc(ccc1O)OC CSC011212540 [0,2,0,0,0,0|0,0,0]=2 546 B14R1.918 CCCNC(=O)c1cc(ccc1Br)F CSC000205882 [0,2,0,0,0,0|2,0,0]=4 547 B14R1.918 CCCNC(=O)c1cc(ccc1C)C CSC000161751 [0,2,0,0,0,0|2,0,0]=4 548 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Br CSC000152278 [0,2,0,0,0,0|2,0,0]=4 549 B14R1.918 CCCNC(=O)c1cc(ccc1Cl)Cl CSC000161747 [0,2,0,0,0,0|2,0,0]=4 550 B14R1.918 CCCNC(=O)c1cc(ccc1F)F CSC000194145 [0,2,0,0,0,0|2,0,0]=4 551 B14R1.918 CCCNC(=O)c1cc(ccc1I)Br CSC000152251 [0,2,0,0,0,0|2,0,0]=4 552 B14R1.918 CCCNC(=O)c1cc(ccc1O)Br CSC000152282 [0,2,0,0,0,0|1,0,0]=3 553 B14R1.918 CCCOC(=O)c1cc(ccc1Cl)N CSC011360746 [0,2,0,0,0,0|1,0,0]=3 554 B14R1.918 CCCOC(=O)c1cc(ccc1N)Cl CSC000172363 [0,2,0,0,0,0|1,0,0]=3 555 B14R1.918 CCCOC(=O)c1cc(ccc1O)O CSC012164508 [0,2,0,0,0,0|0,0,0]=2 556 B14R1.918 Cc1ccc(cc1C(=O)NCCN)Br CSC012257223 [0,2,0,0,0,0|2,0,0]=4 557 B14R1.918 Cc1ccc(cc1C(=O)NCCN)Cl CSC013122946 [0,2,0,0,0,0|2,0,0]=4 558 B14R1.918 NCCNC(=O)c1cc(ccc1O)Br CSC011598293 [0,2,0,0,0,0|1,0,0]=3 559 B14R1.918 OCCNC(=O)c1cc(ccc1Br)F CSC000206141 [0,2,0,0,0,0|2,0,0]=4 560 B14R1.918 OCCNC(=O)c1cc(ccc1F)F CSC000194197 [0,2,0,0,0,0|2,0,0]=4 561 B14R1.7264 CCOC(=O)c1cc(c(cc1F)F)F CSC011216823 [0,2,0,0,0,0|1,0,0]=3 562 B14R1.7264 CCOC(=O)c1cc(c(cc1N)Cl)Cl CSC010230157 [0,2,0,0,0,0|1,0,0]=3 563 B14R1.263 CCNC(=O)c1ccccc1SCC CSC000019823 [0,2,0,0,0,0|1,1,0]=4 564 B14R1.263 CCOC(=O)c1ccccc1OCC CSC000170318 [0,2,0,0,0,0|0,0,0]=2 565 B14R1.263 CCOC(=O)c1cccnc1OCC CSC000005865 [0,2,0,0,0,0|1,0,0]=3 566 B14R1.623 CCNC(=O)c1ccccc1[N+](=O)[O-] CSC000174343 [0,2,0,0,0,0|1,0,1]=4 567 B14R1.623 CCOC(=O)c1ccccc1C(=O)C CSC000042901 [0,2,0,0,0,0|0,0,1]=3 568 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] CSC000169800 [0,2,0,0,0,0|0,0,1]=3 569 B14R1.939 CCCNC(=O)c1ccccc1OC CSC000161706 [0,2,0,0,0,0|1,0,0]=3 570 B14R1.939 CCCNC(=O)c1ccccc1SC CSC000161663 [0,2,0,0,0,0|1,1,0]=4 571 B14R1.939 CNc1ccccc1C(=O)NCCO CSC011460426 [0,2,0,0,0,0|2,0,0]=4 572 B14R1.939 COc1ccccc1C(=O)NCC=C CSC000160288 [0,2,0,0,0,0|1,0,1]=4 573 B14R1.939 COc1ccccc1C(=O)NCCO CSC000158876 [0,2,0,0,0,0|1,0,0]=3 574 B14R1.939 CSc1ccccc1C(=O)NCCN CSC011598298 [0,2,0,0,0,0|1,1,0]=4 575 B14R1.7233 CCNC(=O)c1ccc(cc1OC)Br CSC011638406 [0,2,0,0,0,0|1,0,0]=3 576 B14R1.7233 CCOC(=O)c1ccc(cc1OC)Br CSC011641087 [0,2,0,0,0,0|0,0,0]=2 577 B14R1.7233 CCOC(=O)c1ccc(cc1OC)C CSC009857844 [0,2,0,0,0,0|0,0,0]=2 578 B14R1.7233 CCOC(=O)c1ccc(cc1OC)Cl CSC011533116 [0,2,0,0,0,0|0,0,0]=2 579 B14R1.7276 CCOC(=O)c1c(cccc1OC)F CSC011997389 [0,2,0,0,0,0|0,0,0]=2 580 B14R1.160 CC(=O)NNC(=O)c1ccccc1O CSC000016658 [0,2,0,0,0,0|1,0,1]=4 581 B14R1.160 CC(C)CNC(=O)c1ccccc1C CSC000160798 [0,2,0,0,0,0|2,0,0]=4 582 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl CSC000160755 [0,2,0,0,0,0|2,0,0]=4 583 B14R1.160 CC(C)CNC(=O)c1ccccc1F CSC000160777 [0,2,0,0,0,0|2,0,0]=4 584 B14R1.160 CC(C)CNC(=O)c1ccccc1I CSC000155734 [0,2,0,0,0,0|2,0,0]=4 585 B14R1.160 CC(C)CNC(=O)c1ccccc1N CSC000180285 [0,2,0,0,0,0|2,0,0]=4 586 B14R1.160 CC(C)COC(=O)c1ccccc1O CSC000005792 [0,2,0,0,0,0|0,0,0]=2 587 B14R1.160 CC(O)CNC(=O)c1ccccc1Cl CSC000192560 [0,2,0,0,0,0|2,0,0]=4 588 B14R1.160 NC(=O)COC(=O)c1ccccc1F CSC047463443 [0,2,0,0,0,0|1,0,1]=4 589 B14R1.1035 CCCCNC(=O)c1ccccc1Br CSC000154865 [0,2,0,0,0,0|2,0,0]=4 590 B14R1.1035 CCCCNC(=O)c1ccccc1C CSC000002845 [0,2,0,0,0,0|2,0,0]=4 591 B14R1.1035 CCCCNC(=O)c1ccccc1Cl CSC000002821 [0,2,0,0,0,0|2,0,0]=4 592 B14R1.1035 CCCCNC(=O)c1ccccc1F CSC000159053 [0,2,0,0,0,0|2,0,0]=4 593 B14R1.1035 CCCCNC(=O)c1ccccc1I CSC000154869 [0,2,0,0,0,0|2,0,0]=4 594 B14R1.1035 CCCCNC(=O)c1ccccc1N CSC000243867 [0,2,0,0,0,0|2,0,0]=4 595 B14R1.1035 CCCCOC(=O)c1ccccc1O CSC011204317 [0,2,0,0,0,0|0,0,0]=2 596 B14R1.1035 CNCCNC(=O)c1ccccc1Br CSC011723034 [0,2,0,0,0,0|2,0,0]=4 597 B14R1.1035 CNCCNC(=O)c1ccccc1Cl CSC011722992 [0,2,0,0,0,0|2,0,0]=4 598 B14R1.1035 CNCCNC(=O)c1ccccc1I CSC011723049 [0,2,0,0,0,0|2,0,0]=4 599 B14R1.1035 COCCNC(=O)c1ccccc1Cl CSC046202250 [0,2,0,0,0,0|2,0,0]=4 600 B14R1.1035 COCCNC(=O)c1ccccc1F CSC000157848 [0,2,0,0,0,0|2,0,0]=4 601 B14R1.1035 COCCNC(=O)c1ccccc1I CSC000152795 [0,2,0,0,0,0|2,0,0]=4 602 B14R1.1035 CSCCNC(=O)c1ccccc1N CSC011956857 [0,2,0,0,0,0|2,0,0]=4 603 B14R1.1035 Cc1ccccc1C(=O)NCCCO CSC000191970 [0,2,0,0,0,0|2,0,0]=4 604 B14R1.1035 OCCCNC(=O)c1ccccc1F CSC000192019 [0,2,0,0,0,0|2,0,0]=4 605 B14R1.2523 CCCNC(=O)c1ccc(cc1C)C CSC000161779 [0,2,0,0,0,0|2,0,0]=4 606 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)C CSC000188088 [0,2,0,0,0,0|2,0,0]=4 607 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)Cl CSC000161716 [0,2,0,0,0,0|2,0,0]=4 608 B14R1.2523 CCCNC(=O)c1ccc(cc1Cl)N CSC000744289 [0,2,0,0,0,0|2,0,0]=4 609 B14R1.2523 CCCNC(=O)c1ccc(cc1F)Cl CSC000215518 [0,2,0,0,0,0|2,0,0]=4 610 B14R1.2523 CCCNC(=O)c1ccc(cc1F)F CSC000161767 [0,2,0,0,0,0|2,0,0]=4 611 B14R1.2523 CCCNC(=O)c1ccc(cc1N)Br CSC012631890 [0,2,0,0,0,0|2,0,0]=4 612 B14R1.2523 CCCOC(=O)c1ccc(cc1N)Cl CSC000170106 [0,2,0,0,0,0|1,0,0]=3 613 B14R1.2523 Cc1cc(ccc1C(=O)NCCN)Br CSC011327888 [0,2,0,0,0,0|2,0,0]=4 614 B14R1.2523 Cc1cc(ccc1C(=O)NCCN)Cl CSC014322809 [0,2,0,0,0,0|2,0,0]=4 615 B14R1.2523 Cc1ccc(c(c1)Br)C(=O)NCCN CSC013046546 [0,2,0,0,0,0|2,0,0]=4 616 B14R1.2523 Cc1ccc(c(c1)Cl)C(=O)NCCN CSC014124549 [0,2,0,0,0,0|2,0,0]=4 617 B14R1.2523 OCCNC(=O)c1ccc(cc1Br)Br CSC013150943 [0,2,0,0,0,0|2,0,0]=4 618 B14R1.2523 OCCNC(=O)c1ccc(cc1Cl)Cl CSC000158890 [0,2,0,0,0,0|2,0,0]=4 619 B14R1.2523 OCCNC(=O)c1ccc(cc1F)F CSC000158958 [0,2,0,0,0,0|2,0,0]=4 620 B14R1.2523 OCCNC(=O)c1ccc(cc1O)O CSC000685284 [0,2,0,0,0,0|1,0,0]=3 621 B14R1.8282 OCCNC(=O)c1c(cccc1Cl)Cl CSC000187746 [0,2,0,0,0,0|2,0,0]=4 622 B14R1.8282 OCCNC(=O)c1c(cccc1F)F CSC011196058 [0,2,0,0,0,0|2,0,0]=4 623 B14R1.2819 CCN(C)C(=O)c1ccc(cc1N)Br CSC012631926 [0,2,0,0,0,0|2,0,0]=4 624 B14R1.3624 CCN(CC)C(=O)c1ccccc1Br CSC000154170 [0,2,0,0,0,0|2,0,0]=4 625 B14R1.3624 CCN(CC)C(=O)c1ccccc1Cl CSC000158714 [0,2,0,0,0,0|2,0,0]=4 626 B14R1.3624 CCN(CC)C(=O)c1ccccc1F CSC000158736 [0,2,0,0,0,0|2,0,0]=4 627 B14R1.3624 CCN(CC)C(=O)c1ccccc1I CSC000154175 [0,2,0,0,0,0|2,0,0]=4 628 B14R1.3624 CCN(CC)C(=O)c1ccccc1N CSC000246598 [0,2,0,0,0,0|2,0,0]=4 629 B14R1.3624 CCN(CC)C(=O)c1ccccc1O CSC000191634 [0,2,0,0,0,0|1,0,0]=3 630 B14R1.7234 CCOC(=O)c1ccc(cc1C)OC CSC011997391 [0,2,0,0,0,0|1,0,0]=3 631 B14R1.18811 CCOC(=O)c1c(cc([nH]c1=O)C)C CSC012184711 [0,2,0,0,0,0|1,0,1]=4 632 B14R1.18811 CCOC(=O)c1c(cc(cc1C)C)C CSC000171702 [0,2,0,0,0,0|1,0,0]=3 633 B14R1.18811 CCOC(=O)c1c(cc(cc1F)Br)F CSC012350806 [0,2,0,0,0,0|1,0,0]=3 634 B14R1.18811 CCOC(=O)c1c(cc(cc1F)F)F CSC012214191 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.51 CCOC(=O)CCc1ccco1 CSC011212575 [0,0,1,1,0,0|0,0,2]=4 636 B14R2.4621 Brc1ccccc1NC(=O)C2CC2 CSC000153537 [0,0,0,1,0,1|2,0,0]=4 637 B14R2.4621 Cc1ccccc1NC(=O)C2CC2 CSC000153668 [0,0,0,1,0,1|2,0,0]=4 638 B14R2.4621 Clc1ccccc1NC(=O)C2CC2 CSC000153747 [0,0,0,1,0,1|2,0,0]=4 639 B14R2.4621 Fc1ccccc1NC(=O)C2CC2 CSC000154230 [0,0,0,1,0,1|2,0,0]=4 640 B14R2.4621 Ic1ccccc1NC(=O)C2CC2 CSC000154057 [0,0,0,1,0,1|2,0,0]=4 641 B14R2.4621 Nc1ccccc1NC(=O)C2CC2 CSC011193549 [0,0,0,1,0,1|2,0,0]=4 642 B14R2.4621 Oc1ccccc1NC(=O)C2CC2 CSC000191728 [0,0,0,1,0,1|1,0,0]=3 643 B14R2.256 Cc1noc(n1)c2ccccc2O CSC000186195 [0,1,0,1,0,0|1,0,1]=4 644 B14R2.4633 Brc1ccccc1C(=O)NC2CC2 CSC000155669 [0,1,0,1,0,0|2,0,0]=4 645 B14R2.4633 Cc1ccccc1C(=O)NC2CC2 CSC000160660 [0,1,0,1,0,0|2,0,0]=4 646 B14R2.4633 Clc1ccccc1C(=O)NC2CC2 CSC000160611 [0,1,0,1,0,0|2,0,0]=4 647 B14R2.4633 Fc1ccccc1C(=O)NC2CC2 CSC000160635 [0,1,0,1,0,0|2,0,0]=4 648 B14R2.4633 Ic1ccccc1C(=O)NC2CC2 CSC000155675 [0,1,0,1,0,0|2,0,0]=4 649 B14R2.4633 Oc1ccccc1C(=O)NC2CC2 CSC000187548 [0,1,0,1,0,0|1,0,0]=3 650 B14R2.215 CCN1C(=O)c2ccccc2C1=O CSC000005843 [0,1,0,1,0,0|1,0,1]=4 651 B14R2.1019 CCc1nc2ccccc2c(=O)[nH]1 CSC011386804 [0,1,0,1,0,0|2,0,0]=4 652 B10R1.11 CCNC(=O)c1cccs1 CSC000160180 [1,0,0,0,1,0|2,0,0]=4 653 B10R1.11 CCOC(=O)c1ccco1 CSC000169938 [1,0,0,0,1,0|1,0,0]=3 654 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [1,0,0,0,1,0|1,0,0]=3 655 B10R1.11 CCOC(=O)c1ccoc1 CSC011213098 [1,0,0,0,1,0|1,0,0]=3 656 B10R1.11 CCOC(=O)c1ccsc1 CSC011212746 [1,0,0,0,1,0|1,0,0]=3 657 B10R1.11 CCOC(=O)c1nccs1 CSC011468584 [1,0,0,0,1,0|2,0,0]=4 658 B10R1.149 COC(=O)c1ccoc1Br CSC011935261 [1,0,0,0,1,0|2,0,0]=4 659 B10R1.149 COC(=O)c1ccoc1C CSC000198963 [1,0,0,0,1,0|2,0,0]=4 660 B10R1.149 COC(=O)c1ccsc1Br CSC009822520 [1,0,0,0,1,0|2,0,0]=4 661 B10R1.149 COC(=O)c1ccsc1C CSC012003538 [1,0,0,0,1,0|2,0,0]=4 662 B10R1.149 COC(=O)c1cocc1C CSC009857685 [1,0,0,0,1,0|2,0,0]=4 663 B10R1.149 COC(=O)c1cscc1Br CSC012351140 [1,0,0,0,1,0|2,0,0]=4 664 B10R1.149 COC(=O)c1sccc1Br CSC011218980 [1,0,0,0,1,0|2,0,0]=4 665 B10R1.149 COC(=O)c1sccc1C CSC000150764 [1,0,0,0,1,0|2,0,0]=4 666 B14R1.598 CCCC(=O)NCc1ccccc1Cl CSC000155629 [0,0,0,0,0,2|2,0,0]=4 667 B14R1.598 CCNC(=O)CCc1ccccc1Cl CSC000160040 [0,0,0,0,0,2|2,0,0]=4 668 B14R1.598 CCNC(=O)CCc1ccccc1F CSC040244827 [0,0,0,0,0,2|2,0,0]=4 669 B14R1.598 CCNC(=O)COc1ccccc1C CSC000150527 [0,0,0,0,0,2|2,0,0]=4 670 B14R1.598 CCNC(=O)COc1ccccc1Cl CSC000150426 [0,0,0,0,0,2|2,0,0]=4 671 B14R1.598 CCNC(=O)COc1ccccc1F CSC000150385 [0,0,0,0,0,2|2,0,0]=4 672 B14R1.598 CCOC(=O)CCc1ccccc1Br CSC009815309 [0,0,0,0,0,2|1,0,0]=3 673 B14R1.598 CCOC(=O)CCc1ccccc1Cl CSC000172380 [0,0,0,0,0,2|1,0,0]=3 674 B14R1.598 CCOC(=O)CNc1ccccc1C CSC000219698 [0,0,0,0,0,2|1,0,0]=3 675 B14R1.598 CCOC(=O)CNc1ccccc1Cl CSC000219373 [0,0,0,0,0,2|1,0,0]=3 676 B14R1.598 CCOC(=O)COc1ccccc1C CSC000170486 [0,0,0,0,0,2|1,0,0]=3 677 B14R1.598 CCOC(=O)COc1ccccc1Cl CSC000170624 [0,0,0,0,0,2|1,0,0]=3 678 B14R1.598 CCOC(=O)COc1ccccc1F CSC000170661 [0,0,0,0,0,2|1,0,0]=3 679 B14R1.598 CCOC(=O)CSc1ccccc1Cl CSC000172567 [0,0,0,0,0,2|1,0,0]=3