0 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 ONC(=O)c1cccnc1 CSC000190125 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.478 CCC(C(=O)N)c1ccccc1 CSC000192809 [0,1,0,0,0,0|0,0,2]=3 3 B12R1.478 CCN(C(=O)C)c1ccccc1 CSC000189716 [0,1,0,0,0,0|1,0,1]=3 4 B12R1.478 COC(C(=O)N)c1ccccc1 CSC011347434 [0,1,0,0,0,0|1,0,1]=3 5 B12R2.2 c1cc(cs1)c2ccccn2 CSC000036383 [0,0,0,1,0,0|1,1,1]=4 6 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [2,0,0,0,0,0|1,0,0]=3 7 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [2,0,0,0,0,0|2,0,0]=4 8 B11R1.7 CCS(=O)(=O)c1ccccc1 CSC000031125 [1,1,0,0,0,0|1,0,1]=4 9 B11R1.7 CNS(=O)(=O)c1ccccc1 CSC000165098 [1,1,0,0,0,0|2,0,0]=4 10 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [1,1,0,0,0,0|0,0,1]=3 11 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [1,1,0,0,0,0|1,0,1]=4 12 B11R1.16 CCOC(=O)c1ccccn1 CSC000169882 [1,1,0,0,0,0|1,0,1]=4 13 B11R1.16 CCOC(=O)c1ccncc1 CSC000169898 [1,1,0,0,0,0|1,0,1]=4 14 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [1,1,0,0,0,0|2,0,0]=4 15 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [1,1,0,0,0,0|0,0,1]=3 16 B11R1.22 CNC(=O)c1ccc(cc1)C CSC000159850 [1,1,0,0,0,0|1,0,0]=3 17 B11R1.22 CNC(=O)c1ccc(cc1)Cl CSC000159809 [1,1,0,0,0,0|1,0,0]=3 18 B11R1.22 CNC(=O)c1ccc(cc1)F CSC000159806 [1,1,0,0,0,0|1,0,0]=3 19 B11R1.22 COC(=O)c1cc[n+](cc1)[O-] CSC000000494 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.22 COC(=O)c1ccc(cc1)Cl CSC000150334 [1,1,0,0,0,0|1,0,0]=3 21 B11R1.22 COC(=O)c1ccc(cc1)F CSC000150329 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.22 COC(=O)c1ccc(cn1)Br CSC000697650 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.22 COC(=O)c1ccc(cn1)Cl CSC000743185 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.22 COC(=O)c1ccc(cn1)F CSC012017284 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.22 COC(=O)c1ccc(nc1)C CSC000740734 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.22 COC(=O)c1ccc(nc1)F CSC011934332 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.22 NNC(=O)c1ccc(cc1)I CSC000189773 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.22 NNC(=O)c1ccc(cc1)N CSC000186298 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.23 CNC(=O)c1cccc(c1)Br CSC000155082 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.23 CNC(=O)c1cccc(c1)C CSC000159928 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.23 CNC(=O)c1cccc(c1)Cl CSC000159822 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.23 CNC(=O)c1cccc(c1)F CSC000159920 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.23 CNC(=O)c1cccc(c1)I CSC000155084 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.23 CNC(=O)c1cccc(c1)O CSC000159807 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.23 CNC(=O)c1cncc(c1)Br CSC000155086 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 CSC011935111 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.23 COC(=O)c1cccc(c1)Br CSC000148679 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.23 COC(=O)c1cccc(c1)C CSC000149472 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.23 COC(=O)c1cccc(c1)Cl CSC000150768 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.23 COC(=O)c1cccc(c1)F CSC000148988 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.23 COC(=O)c1cccc(c1)I CSC000148848 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.23 COC(=O)c1cccc(c1)O CSC000150331 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.23 COC(=O)c1cccc(n1)C CSC000741576 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.23 COC(=O)c1cccc(n1)F CSC000724373 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.23 COC(=O)c1ccnc(c1)C CSC012001301 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.23 COC(=O)c1ccnc(c1)F CSC011581676 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.23 COC(=O)c1cncc(c1)F CSC000698520 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.23 COC(=O)c1cncc(c1)O CSC000687108 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.23 Cc1cccc(c1)C(=O)NN CSC000189845 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.23 NNC(=O)c1cccc(c1)Br CSC000189783 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.23 NNC(=O)c1cccc(c1)F CSC000189798 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.23 NNC(=O)c1cccc(c1)I CSC000186306 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.36 CN(C(=O)C)c1ccccn1 CSC000243587 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.36 CN(C)C(=O)c1ccccc1 CSC000159565 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.36 CN(C)C(=O)c1cccnc1 CSC000159538 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.222 CNC(=O)c1cccnc1C CSC011922290 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.222 COC(=O)c1ccccc1Cl CSC000150121 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.222 COC(=O)c1ccccc1I CSC000148710 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.222 COC(=O)c1cccnc1C CSC011216498 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.222 COC(=O)c1cccnc1F CSC011934352 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.222 COC(=O)c1ccncc1Br CSC010008606 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.222 COC(=O)c1ccncc1C CSC011934321 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.222 COC(=O)c1ccncc1Cl CSC000699585 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.222 COC(=O)c1ccncc1F CSC000702545 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.222 COC(=O)c1cnccc1C CSC011999757 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.222 COC(=O)c1cnccc1Cl CSC012001583 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.222 COC(=O)c1ncccc1Br CSC011935214 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.222 COC(=O)c1ncccc1Cl CSC000093117 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.222 COC(=O)c1ncccc1F CSC000084157 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.222 NNC(=O)c1ccccc1Cl CSC000186534 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.222 NNC(=O)c1ccccc1I CSC000190081 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.222 NNC(=O)c1ccccc1O CSC000186518 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.418 CCN(Cc1ccccc1)C(=O)C CSC000155847 [0,1,0,0,0,1|1,0,1]=4 84 B13R1.418 NC(=O)C(=Cc1ccccc1)C#N CSC000060969 [0,1,0,0,0,1|1,0,1]=4 85 B13R1.405 CC(=O)N(CC=C)c1ccccc1 CSC000025029 [0,2,0,0,0,0|1,0,1]=4 86 B13R1.532 CCN(C(=O)CN)c1ccccc1 CSC011199085 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.532 COC(C(=O)NN)c1ccccc1 CSC011327395 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.720 CCN(C(=O)C)c1ccccc1C CSC000243622 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.1111 CC(C)C(C(=O)N)c1ccccc1 CSC009878374 [0,2,0,0,0,0|0,0,2]=4 90 B13R2.57 COc1cnc2ccccc2c1 CSC012187421 [0,0,0,1,0,1|2,0,0]=4 91 B13R2.57 CSc1ccc2ccccc2c1 CSC000000181 [0,0,0,1,0,1|2,0,0]=4 92 B13R2.57 CSc1ccc2ccccc2n1 CSC015436161 [0,0,0,1,0,1|2,0,0]=4 93 B13R2.3 c1ccc(cc1)c2ccccc2 CSC000185809 [0,1,0,1,0,0|1,0,1]=4 94 B13R2.3 c1ccc(cc1)c2ccncc2 CSC011204177 [0,1,0,1,0,0|1,0,1]=4 95 B13R2.3 c1ccc(cc1)c2cncnc2 CSC000075717 [0,1,0,1,0,0|1,0,1]=4 96 B13R2.10 Cc1cc([nH]n1)c2ccccc2 CSC000009428 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.10 Cc1csc(n1)c2ccccc2 CSC000169097 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.10 Cc1nc(cs1)c2cccnc2 CSC012181242 [0,1,0,1,0,0|1,1,0]=4 99 B13R2.10 Cc1nc(no1)c2ccccc2 CSC000015794 [0,1,0,1,0,0|1,0,1]=4 100 B13R2.10 Cc1nnc(o1)c2ccccc2 CSC000011779 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.10 Cc1noc(n1)c2ccccc2 CSC000073341 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.10 Cn1ccc(n1)c2ccccc2 CSC012186690 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.10 Cn1cnc(c1)c2ccccc2 CSC009840319 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.10 O=C1CC(=NN1)c2ccccc2 CSC000175146 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.15 Cc1ccsc1c2ccccn2 CSC000086184 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.15 Cn1ccnc1c2ccccc2 CSC009860139 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.15 Cn1nccc1c2ccccc2 CSC011464477 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.1613 CNc1cccc2c1cccc2 CSC000220138 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.1613 COc1cccc2c1cccc2 CSC000170064 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.12 Nc1ccc(cc1)c2ccsc2 CSC000726281 [0,1,0,1,0,0|0,1,1]=4 111 B13R2.72 CC(=O)N1CCc2c1cccc2 CSC000155365 [0,1,0,1,0,0|1,0,1]=4 112 B13R2.72 NC(=O)N1CCc2c1cccc2 CSC000238899 [0,1,0,1,0,0|1,0,1]=4 113 B13R2.72 NC(=O)c1csc2c1cccc2 CSC000242011 [0,1,0,1,0,0|1,0,0]=3 114 B13R2.439 NC(=O)C1(CC1)c2ccccc2 CSC000192825 [0,1,0,1,0,0|0,0,2]=4 115 B9R1.11 COC(=O)c1cccs1 CSC000148991 [1,0,0,0,1,0|2,0,0]=4 116 B9R1.11 COC(=O)c1ccsc1 CSC000194046 [1,0,0,0,1,0|2,0,0]=4 117 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [1,0,0,0,0,1|0,0,1]=3 118 B11R1.40 CCC(=O)Nc1ccccn1 CSC000017115 [1,0,0,0,0,1|1,0,1]=4 119 B11R1.40 CCC(=O)Nc1cccnc1 CSC000159158 [1,0,0,0,0,1|1,0,1]=4 120 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [1,0,0,0,0,1|0,0,1]=3 121 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [1,0,0,0,0,1|1,0,0]=3 122 B11R1.40 CNC(=O)Nc1ccccn1 CSC000024314 [1,0,0,0,0,1|2,0,0]=4 123 B11R1.40 CNC(=O)Nc1cccnc1 CSC000233841 [1,0,0,0,0,1|2,0,0]=4 124 B11R1.40 COC(=O)Oc1ccccc1 CSC000020726 [1,0,0,0,0,1|1,0,0]=3 125 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [1,0,0,0,0,1|1,0,1]=4