0 B10R1.15 ONC(=O)c1cccnc1 CSC000190125 [0,0,1,0,0,0|3,0,0]=4 1 B10R1.17 C=CCSc1ccccc1 CSC000006400 [0,0,1,0,0,0|3,0,0]=4 2 B10R1.17 CCSCc1ccccc1 CSC000006444 [0,0,1,0,0,0|1,1,1]=4 3 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [0,0,1,0,0,0|3,0,0]=4 4 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [0,0,1,0,0,0|2,0,0]=3 5 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [0,0,1,0,0,0|2,0,0]=3 6 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [0,0,1,0,0,0|2,0,0]=3 7 B10R1.61 NC(=O)c1cccnc1F CSC012002233 [0,0,1,0,0,0|3,0,0]=4 8 B10R1.61 NC(=O)c1ccncc1F CSC000698873 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.61 NC(=O)c1ncccc1Cl CSC000099198 [0,0,1,0,0,0|3,0,0]=4 10 B10R1.61 NC(=O)c1ncccc1F CSC009850871 [0,0,1,0,0,0|3,0,0]=4 11 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [1,0,1,0,0,0|1,0,0]=3 12 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [1,0,1,0,0,0|2,0,0]=4 13 B9R1.15 CSc1ccccc1O CSC011216402 [1,0,1,0,0,0|2,0,0]=4 14 B11R1.7 CCS(=O)(=O)c1ccccc1 CSC000031125 [0,1,1,0,0,0|2,0,0]=4 15 B11R1.7 CNS(=O)(=O)c1ccccc1 CSC000165098 [0,1,1,0,0,0|2,0,0]=4 16 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,1,1,0,0,0|1,0,0]=3 17 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [0,1,1,0,0,0|2,0,0]=4 18 B11R1.16 CCOC(=O)c1ccccn1 CSC000169882 [0,1,1,0,0,0|1,0,0]=3 19 B11R1.16 CCOC(=O)c1ccncc1 CSC000169898 [0,1,1,0,0,0|1,0,0]=3 20 B11R1.16 CCOC(=O)c1ccncn1 CSC012000388 [0,1,1,0,0,0|2,0,0]=4 21 B11R1.16 CCOC(=O)c1cnccn1 CSC000170199 [0,1,1,0,0,0|2,0,0]=4 22 B11R1.16 CCOC(=O)c1cncnc1 CSC011934276 [0,1,1,0,0,0|2,0,0]=4 23 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [0,1,1,0,0,0|0,1,0]=3 24 B11R1.22 CNC(=O)c1ccc(cc1)C CSC000159850 [0,1,1,0,0,0|1,0,0]=3 25 B11R1.22 CNC(=O)c1ccc(cc1)Cl CSC000159809 [0,1,1,0,0,0|1,0,0]=3 26 B11R1.22 CNC(=O)c1ccc(cc1)F CSC000159806 [0,1,1,0,0,0|1,0,0]=3 27 B11R1.22 COC(=O)c1cc[n+](cc1)[O-] CSC000000494 [0,1,1,0,0,0|1,0,0]=3 28 B11R1.22 COC(=O)c1ccc(cc1)Cl CSC000150334 [0,1,1,0,0,0|0,0,0]=2 29 B11R1.22 COC(=O)c1ccc(cc1)F CSC000150329 [0,1,1,0,0,0|0,0,0]=2 30 B11R1.22 COC(=O)c1ccc(cn1)Br CSC000697650 [0,1,1,0,0,0|1,0,0]=3 31 B11R1.22 COC(=O)c1ccc(cn1)Cl CSC000743185 [0,1,1,0,0,0|1,0,0]=3 32 B11R1.22 COC(=O)c1ccc(cn1)F CSC012017284 [0,1,1,0,0,0|1,0,0]=3 33 B11R1.22 COC(=O)c1ccc(nc1)C CSC000740734 [0,1,1,0,0,0|1,0,0]=3 34 B11R1.22 COC(=O)c1ccc(nc1)F CSC011934332 [0,1,1,0,0,0|1,0,0]=3 35 B11R1.22 COC(=O)c1cnc(cn1)C CSC000149074 [0,1,1,0,0,0|2,0,0]=4 36 B11R1.22 NNC(=O)c1ccc(cc1)I CSC000189773 [0,1,1,0,0,0|2,0,0]=4 37 B11R1.22 NNC(=O)c1ccc(cc1)N CSC000186298 [0,1,1,0,0,0|2,0,0]=4 38 B11R1.23 CNC(=O)c1cccc(c1)Br CSC000155082 [0,1,1,0,0,0|1,0,0]=3 39 B11R1.23 CNC(=O)c1cccc(c1)C CSC000159928 [0,1,1,0,0,0|1,0,0]=3 40 B11R1.23 CNC(=O)c1cccc(c1)Cl CSC000159822 [0,1,1,0,0,0|1,0,0]=3 41 B11R1.23 CNC(=O)c1cccc(c1)F CSC000159920 [0,1,1,0,0,0|1,0,0]=3 42 B11R1.23 CNC(=O)c1cccc(c1)I CSC000155084 [0,1,1,0,0,0|1,0,0]=3 43 B11R1.23 CNC(=O)c1cccc(c1)O CSC000159807 [0,1,1,0,0,0|1,0,0]=3 44 B11R1.23 CNC(=O)c1cncc(c1)Br CSC000155086 [0,1,1,0,0,0|2,0,0]=4 45 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 CSC011935111 [0,1,1,0,0,0|1,0,0]=3 46 B11R1.23 COC(=O)c1cccc(c1)Br CSC000148679 [0,1,1,0,0,0|0,0,0]=2 47 B11R1.23 COC(=O)c1cccc(c1)C CSC000149472 [0,1,1,0,0,0|0,0,0]=2 48 B11R1.23 COC(=O)c1cccc(c1)Cl CSC000150768 [0,1,1,0,0,0|0,0,0]=2 49 B11R1.23 COC(=O)c1cccc(c1)F CSC000148988 [0,1,1,0,0,0|0,0,0]=2 50 B11R1.23 COC(=O)c1cccc(c1)I CSC000148848 [0,1,1,0,0,0|0,0,0]=2 51 B11R1.23 COC(=O)c1cccc(c1)O CSC000150331 [0,1,1,0,0,0|0,0,0]=2 52 B11R1.23 COC(=O)c1cccc(n1)C CSC000741576 [0,1,1,0,0,0|1,0,0]=3 53 B11R1.23 COC(=O)c1cccc(n1)F CSC000724373 [0,1,1,0,0,0|1,0,0]=3 54 B11R1.23 COC(=O)c1ccnc(c1)C CSC012001301 [0,1,1,0,0,0|1,0,0]=3 55 B11R1.23 COC(=O)c1ccnc(c1)F CSC011581676 [0,1,1,0,0,0|1,0,0]=3 56 B11R1.23 COC(=O)c1ccnc(n1)C CSC000054160 [0,1,1,0,0,0|2,0,0]=4 57 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [0,1,1,0,0,0|1,0,0]=3 58 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [0,1,1,0,0,0|1,0,0]=3 59 B11R1.23 COC(=O)c1cncc(c1)F CSC000698520 [0,1,1,0,0,0|1,0,0]=3 60 B11R1.23 COC(=O)c1cncc(c1)O CSC000687108 [0,1,1,0,0,0|1,0,0]=3 61 B11R1.23 Cc1cccc(c1)C(=O)NN CSC000189845 [0,1,1,0,0,0|2,0,0]=4 62 B11R1.23 NNC(=O)c1cccc(c1)Br CSC000189783 [0,1,1,0,0,0|2,0,0]=4 63 B11R1.23 NNC(=O)c1cccc(c1)F CSC000189798 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.23 NNC(=O)c1cccc(c1)I CSC000186306 [0,1,1,0,0,0|2,0,0]=4 65 B11R1.36 CN(C)C(=O)c1ccccc1 CSC000159565 [0,1,1,0,0,0|1,0,0]=3 66 B11R1.36 CN(C)C(=O)c1cccnc1 CSC000159538 [0,1,1,0,0,0|2,0,0]=4 67 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [0,1,1,0,0,0|1,0,0]=3 68 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [0,1,1,0,0,0|1,0,0]=3 69 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [0,1,1,0,0,0|1,0,0]=3 70 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [0,1,1,0,0,0|1,0,0]=3 71 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [0,1,1,0,0,0|1,0,0]=3 72 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [0,1,1,0,0,0|1,0,0]=3 73 B11R1.222 CNC(=O)c1cccnc1C CSC011922290 [0,1,1,0,0,0|2,0,0]=4 74 B11R1.222 COC(=O)c1ccccc1Cl CSC000150121 [0,1,1,0,0,0|0,0,0]=2 75 B11R1.222 COC(=O)c1ccccc1I CSC000148710 [0,1,1,0,0,0|0,0,0]=2 76 B11R1.222 COC(=O)c1cccnc1C CSC011216498 [0,1,1,0,0,0|1,0,0]=3 77 B11R1.222 COC(=O)c1cccnc1F CSC011934352 [0,1,1,0,0,0|1,0,0]=3 78 B11R1.222 COC(=O)c1ccncc1Br CSC010008606 [0,1,1,0,0,0|1,0,0]=3 79 B11R1.222 COC(=O)c1ccncc1C CSC011934321 [0,1,1,0,0,0|1,0,0]=3 80 B11R1.222 COC(=O)c1ccncc1Cl CSC000699585 [0,1,1,0,0,0|1,0,0]=3 81 B11R1.222 COC(=O)c1ccncc1F CSC000702545 [0,1,1,0,0,0|1,0,0]=3 82 B11R1.222 COC(=O)c1cnccc1C CSC011999757 [0,1,1,0,0,0|1,0,0]=3 83 B11R1.222 COC(=O)c1cnccc1Cl CSC012001583 [0,1,1,0,0,0|1,0,0]=3 84 B11R1.222 COC(=O)c1ncccc1Br CSC011935214 [0,1,1,0,0,0|1,0,0]=3 85 B11R1.222 COC(=O)c1ncccc1Cl CSC000093117 [0,1,1,0,0,0|1,0,0]=3 86 B11R1.222 COC(=O)c1ncccc1F CSC000084157 [0,1,1,0,0,0|1,0,0]=3 87 B11R1.222 COC(=O)c1nccnc1C CSC000090199 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.222 NNC(=O)c1ccccc1Cl CSC000186534 [0,1,1,0,0,0|2,0,0]=4 89 B11R1.222 NNC(=O)c1ccccc1I CSC000190081 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.222 NNC(=O)c1ccccc1O CSC000186518 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [0,1,1,0,0,0|0,0,0]=2 95 B11R1.91 NC(=O)C#Cc1ccccc1 CSC000041776 [0,1,1,0,0,0|1,0,1]=4 96 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.41 CCOc1ccccc1CO CSC000708577 [0,1,1,0,0,0|1,0,1]=4 98 B11R1.41 COc1ccccc1CCO CSC011218620 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.156 Cc1cccc(c1C(=O)N)C CSC011218824 [0,1,1,0,0,0|1,0,0]=3 102 B11R1.156 NC(=O)c1c(cccc1Br)F CSC011219063 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.156 NC(=O)c1c(cccc1Cl)Cl CSC011200855 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.156 NC(=O)c1c(cccc1Cl)F CSC000723611 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.156 NC(=O)c1c(cccc1O)O CSC011218739 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.159 Cc1c(cccc1C(=O)N)Br CSC012298201 [0,1,1,0,0,0|1,0,0]=3 107 B11R1.159 Cc1c(cccc1C(=O)N)I CSC010003273 [0,1,1,0,0,0|1,0,0]=3 108 B11R1.159 Cc1cccc(c1Br)C(=O)N CSC012356287 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.159 Cc1cccc(c1C)C(=O)N CSC000162285 [0,1,1,0,0,0|1,0,0]=3 110 B11R1.159 NC(=O)c1cccc(c1Cl)Cl CSC000162245 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.159 NC(=O)c1cccc(c1Cl)F CSC011219509 [0,1,1,0,0,0|2,0,0]=4 112 B11R1.159 NC(=O)c1cccc(c1F)Cl CSC011217061 [0,1,1,0,0,0|2,0,0]=4 113 B11R1.159 NC(=O)c1cccc(c1F)F CSC011202323 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.166 Cc1cc(ccc1C(=O)N)Br CSC011327924 [0,1,1,0,0,0|1,0,0]=3 115 B11R1.166 Cc1cc(ccc1C(=O)N)F CSC011997080 [0,1,1,0,0,0|1,0,0]=3 116 B11R1.166 Cc1ccc(c(c1)C)C(=O)N CSC000162304 [0,1,1,0,0,0|1,0,0]=3 117 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)N CSC012178794 [0,1,1,0,0,0|2,0,0]=4 118 B11R1.166 Cc1ccc(c(c1)F)C(=O)N CSC000686557 [0,1,1,0,0,0|2,0,0]=4 119 B11R1.166 NC(=O)c1ccc(cc1Br)Br CSC012769498 [0,1,1,0,0,0|2,0,0]=4 120 B11R1.166 NC(=O)c1ccc(cc1Br)Cl CSC012347284 [0,1,1,0,0,0|2,0,0]=4 121 B11R1.166 NC(=O)c1ccc(cc1Cl)Cl CSC000162194 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.166 NC(=O)c1ccc(cc1Cl)F CSC000162332 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.166 NC(=O)c1ccc(cc1Cl)I CSC000060398 [0,1,1,0,0,0|2,0,0]=4 124 B11R1.166 NC(=O)c1ccc(cc1F)Br CSC000216903 [0,1,1,0,0,0|2,0,0]=4 125 B11R1.166 NC(=O)c1ccc(cc1F)Cl CSC000216909 [0,1,1,0,0,0|2,0,0]=4 126 B11R1.166 NC(=O)c1ccc(cc1F)F CSC000162284 [0,1,1,0,0,0|2,0,0]=4 127 B11R1.166 NC(=O)c1ccc(cc1O)Cl CSC000192836 [0,1,1,0,0,0|2,0,0]=4 128 B11R1.166 NC(=O)c1ccc(cc1O)O CSC011933943 [0,1,1,0,0,0|2,0,0]=4 129 B11R1.167 Cc1ccc(c(c1)C(=O)N)C CSC000162255 [0,1,1,0,0,0|1,0,0]=3 130 B11R1.167 Cc1ccc(c(c1)C(=O)N)F CSC011692772 [0,1,1,0,0,0|2,0,0]=4 131 B11R1.167 Cc1ccc(c(c1)C(=O)N)O CSC000192840 [0,1,1,0,0,0|2,0,0]=4 132 B11R1.167 Cc1ccc(cc1C(=O)N)F CSC000242012 [0,1,1,0,0,0|1,0,0]=3 133 B11R1.167 NC(=O)c1cc(ccc1Br)Br CSC012339728 [0,1,1,0,0,0|2,0,0]=4 134 B11R1.167 NC(=O)c1cc(ccc1Br)Cl CSC011227832 [0,1,1,0,0,0|2,0,0]=4 135 B11R1.167 NC(=O)c1cc(ccc1Br)F CSC000206434 [0,1,1,0,0,0|2,0,0]=4 136 B11R1.167 NC(=O)c1cc(ccc1Br)I CSC012352765 [0,1,1,0,0,0|2,0,0]=4 137 B11R1.167 NC(=O)c1cc(ccc1Cl)Br CSC000162282 [0,1,1,0,0,0|2,0,0]=4 138 B11R1.167 NC(=O)c1cc(ccc1Cl)Cl CSC000162246 [0,1,1,0,0,0|2,0,0]=4 139 B11R1.167 NC(=O)c1cc(ccc1Cl)F CSC000034536 [0,1,1,0,0,0|2,0,0]=4 140 B11R1.167 NC(=O)c1cc(ccc1Cl)I CSC009997440 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.167 NC(=O)c1cc(ccc1F)Br CSC000162119 [0,1,1,0,0,0|2,0,0]=4 142 B11R1.167 NC(=O)c1cc(ccc1F)Cl CSC000216908 [0,1,1,0,0,0|2,0,0]=4 143 B11R1.167 NC(=O)c1cc(ccc1I)Br CSC000162314 [0,1,1,0,0,0|2,0,0]=4 144 B11R1.167 NC(=O)c1cc(ccc1I)Cl CSC000239382 [0,1,1,0,0,0|2,0,0]=4 145 B11R1.167 NC(=O)c1cc(ccc1I)I CSC000060115 [0,1,1,0,0,0|2,0,0]=4 146 B13R2.371 Cn1ccc(=O)c2c1cccc2 CSC000060576 [0,1,0,0,0,1|1,0,1]=4 147 B13R2.371 O=c1[nH][nH]c(=O)c2c1cccc2 CSC000175151 [0,1,0,0,0,1|1,0,1]=4 148 B13R2.72 CC(=O)N1CCc2c1cccc2 CSC000155365 [0,2,0,0,0,0|2,0,0]=4 149 B13R2.72 NC(=O)N1CCc2c1cccc2 CSC000238899 [0,2,0,0,0,0|2,0,0]=4 150 B13R2.72 NC(=O)c1csc2c1cccc2 CSC000242011 [0,2,0,0,0,0|2,0,0]=4 151 B13R2.3085 CN1C(=O)c2ccccc2C1=O CSC000170155 [0,2,0,0,0,0|1,0,1]=4 152 B13R2.582 COc1cccc2c1C(=O)CC2 CSC000068676 [0,2,0,0,0,0|1,0,0]=3 153 B9R1.11 COC(=O)c1cccs1 CSC000148991 [0,0,1,0,1,0|1,0,0]=3 154 B9R1.11 COC(=O)c1ccsc1 CSC000194046 [0,0,1,0,1,0|1,0,0]=3 155 B9R1.11 COC(=O)c1cncs1 CSC000241751 [0,0,1,0,1,0|2,0,0]=4 156 B9R1.11 COC(=O)c1cscn1 CSC011218915 [0,0,1,0,1,0|2,0,0]=4 157 B9R1.41 Cc1ccsc1C(=O)N CSC000162183 [0,0,1,0,1,0|2,0,0]=4 158 B9R1.41 Cc1sccc1C(=O)N CSC000068317 [0,0,1,0,1,0|2,0,0]=4 159 B11R1.86 CC(=O)Nc1ccccc1Br CSC000153524 [0,0,1,0,0,1|2,0,0]=4 160 B11R1.86 CC(=O)Nc1ccccc1C CSC000153662 [0,0,1,0,0,1|1,0,0]=3 161 B11R1.86 CC(=O)Nc1ccccc1Cl CSC000153741 [0,0,1,0,0,1|2,0,0]=4 162 B11R1.86 CC(=O)Nc1ccccc1F CSC000154224 [0,0,1,0,0,1|2,0,0]=4 163 B11R1.86 CC(=O)Nc1ccccc1I CSC000154044 [0,0,1,0,0,1|2,0,0]=4 164 B11R1.86 CC(=O)Nc1ncccc1C CSC000016773 [0,0,1,0,0,1|2,0,0]=4 165 B11R1.86 CC(=O)Oc1ccccc1C CSC000001913 [0,0,1,0,0,1|1,0,0]=3 166 B11R1.86 CC(=O)Oc1ccccc1F CSC000001835 [0,0,1,0,0,1|2,0,0]=4 167 B11R1.86 Cc1ccccc1NC(=O)N CSC000181700 [0,0,1,0,0,1|1,0,0]=3 168 B11R1.86 NC(=O)Cc1ccccc1Cl CSC000162363 [0,0,1,0,0,1|2,0,0]=4 169 B11R1.86 NC(=O)Cc1ccccc1F CSC000162305 [0,0,1,0,0,1|2,0,0]=4 170 B11R1.86 NC(=O)Nc1ccccc1Br CSC000742221 [0,0,1,0,0,1|2,0,0]=4 171 B11R1.86 NC(=O)Nc1ccccc1Cl CSC000181701 [0,0,1,0,0,1|2,0,0]=4