0 B12R2.2 c1c[nH]c(n1)c2ccccc2 CSC000211779 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.2 c1cc(cs1)c2ccccn2 CSC000036383 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.2 c1csc(n1)c2ccccc2 CSC011996109 [0,0,0,0,0,0|2,0,1]=3 3 B12R2.2 c1nc(n[nH]1)c2ccccc2 CSC000757066 [0,0,0,0,0,0|1,0,2]=3 4 B13R2.10 Cc1cc([nH]n1)c2ccccc2 CSC000009428 [0,1,0,0,0,0|2,0,0]=3 5 B13R2.10 Cc1csc(n1)c2ccccc2 CSC000169097 [0,1,0,0,0,0|2,0,1]=4 6 B13R2.10 Cc1nc(cs1)c2cccnc2 CSC012181242 [0,1,0,0,0,0|2,0,1]=4 7 B13R2.10 Cc1nc(no1)c2ccccc2 CSC000015794 [0,1,0,0,0,0|2,0,1]=4 8 B13R2.10 Cc1nnc(o1)c2ccccc2 CSC000011779 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.10 Cc1nnc(o1)c2cccnc2 CSC000018777 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.10 Cc1nnc(o1)c2ccncc2 CSC000018772 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.10 Cc1noc(n1)c2ccccc2 CSC000073341 [0,1,0,0,0,0|1,0,1]=3 12 B13R2.10 Cn1ccc(n1)c2ccccc2 CSC012186690 [0,1,0,0,0,0|2,0,1]=4 13 B13R2.10 Cn1cnc(c1)c2ccccc2 CSC009840319 [0,1,0,0,0,0|0,0,2]=3 14 B13R2.10 Cn1nnc(n1)c2ccccc2 CSC000005911 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.10 O=C1CC(=NN1)c2ccccc2 CSC000175146 [0,1,0,0,0,0|2,0,1]=4 16 B13R2.12 Clc1ccc(cc1)c2c[nH]cn2 CSC000043199 [0,1,0,0,0,0|0,0,2]=3 17 B13R2.12 Clc1ccc(cc1)c2cccs2 CSC000084716 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.12 Fc1ccc(cc1)c2cccs2 CSC000084713 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.12 Nc1ccc(cc1)c2c[nH]cn2 CSC000018468 [0,1,0,0,0,0|0,0,2]=3 20 B13R2.12 Nc1ccc(cc1)c2ccsc2 CSC000726281 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.12 Nc1ccc(cc1)c2ncc[nH]2 CSC000746964 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.12 Nc1ccc(nc1)c2cccs2 CSC011934879 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.12 Oc1ccc(cc1)c2ncc[nH]2 CSC000748570 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.13 Cc1cc(ccn1)c2ccsc2 CSC009857989 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.13 Cc1cccc(n1)c2ccsc2 CSC009862844 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.13 Cc1ccnc(c1)c2ccsc2 CSC009866338 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.13 Nc1cccc(c1)c2cccs2 CSC000737012 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.13 Nc1cccc(c1)c2ccn[nH]2 CSC016048636 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.15 Cc1ccsc1c2ccccn2 CSC000086184 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.15 Cn1ccnc1c2ccccc2 CSC009860139 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.15 Cn1nccc1c2ccccc2 CSC011464477 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.15 Cn1nnnc1c2ccccn2 CSC015247029 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.18 Oc1ccccc1c2ccn[nH]2 CSC000745709 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,0,1,0,0,0|2,0,1]=4 35 B11R2.2 c1cc(cs1)c2ccsc2 CSC000033142 [0,0,0,0,1,0|3,0,0]=4 36 B11R2.2 c1csc(c1)c2cccs2 CSC000032401 [0,0,0,0,1,0|3,0,0]=4 37 B11R2.2 c1csc(c1)c2ncc[nH]2 CSC000743115 [0,0,0,0,1,0|3,0,0]=4 38 B13R2.3 c1cc(ccn1)c2ccncc2 CSC000185987 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.3 c1ccc(cc1)c2ccccc2 CSC000185809 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.3 c1ccc(cc1)c2ccncc2 CSC011204177 [0,0,0,0,0,1|1,0,0]=2 41 B13R2.3 c1ccc(cc1)c2cncnc2 CSC000075717 [0,0,0,0,0,1|0,0,1]=2 42 B13R2.3 c1ccc(cc1)c2ncccn2 CSC000067487 [0,0,0,0,0,1|1,0,1]=3 43 B13R2.3 c1ccc(nc1)c2cncnc2 CSC009870145 [0,0,0,0,0,1|1,0,1]=3 44 B13R2.64 C(c1ccccc1)n2ccnc2 CSC000188494 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.64 C(c1ccccc1)n2ccnn2 CSC000055469 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.30 C=CCNC(=O)c1ccccc1 CSC000160304 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.252 NC(=O)NN=Cc1ccccc1 CSC000163793 [0,1,1,0,0,0|1,0,1]=4 49 B14R2.21 Cc1cccc(n1)c2ccccc2 CSC000066379 [0,1,0,0,0,1|1,0,1]=4 50 B14R2.21 Cc1ccnc(c1)c2ccccc2 CSC000074759 [0,1,0,0,0,1|1,0,1]=4 51 B14R2.21 Cc1cncc(c1)c2ccccc2 CSC000041237 [0,1,0,0,0,1|1,0,0]=3 52 B14R2.21 Fc1cccc(c1)c2ccccn2 CSC000117250 [0,1,0,0,0,1|1,0,1]=4 53 B14R2.21 Nc1cccc(c1)c2ccccn2 CSC011894357 [0,1,0,0,0,1|1,0,1]=4 54 B14R2.21 Nc1cccc(c1)c2cccnc2 CSC011399840 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.21 Nc1cncc(c1)c2ccccc2 CSC011997052 [0,1,0,0,0,1|1,0,0]=3 56 B14R2.21 Oc1cccc(c1)c2ccccc2 CSC011215446 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.24 Cc1ccccc1c2ccccc2 CSC000035869 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.24 Cc1cccnc1c2ccccc2 CSC000037425 [0,1,0,0,0,1|1,0,1]=4 59 B14R2.24 Fc1ccccc1c2ccccc2 CSC000039657 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.24 Nc1ccccc1c2ccccc2 CSC000210918 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.24 Nc1ccccc1c2cccnc2 CSC011399838 [0,1,0,0,0,1|1,0,0]=3 62 B14R2.24 Nc1ccccc1c2cncnc2 CSC011688939 [0,1,0,0,0,1|0,0,1]=3 63 B14R2.24 Nc1cccnc1c2ccccc2 CSC000706567 [0,1,0,0,0,1|1,0,1]=4 64 B14R2.68 Cc1ccc(cc1)c2ccccn2 CSC000035180 [0,1,0,0,0,1|1,0,1]=4 65 B14R2.68 Clc1ccc(cc1)c2ccccc2 CSC011217223 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.68 Fc1ccc(cc1)c2ccccc2 CSC000040000 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.68 Fc1ccc(cc1)c2ccncc2 CSC000088885 [0,1,0,0,0,1|1,0,0]=3 68 B14R2.68 Nc1ccc(cc1)c2cccnc2 CSC011399839 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.68 Nc1ccc(cc1)c2ccncc2 CSC011410175 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.68 Nc1ccc(cn1)c2ccccc2 CSC000743117 [0,1,0,0,0,1|1,0,0]=3 71 B14R2.68 Nc1ccc(cn1)c2cccnc2 CSC011688803 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.68 O=C1CCC(=NN1)c2ccccc2 CSC000005677 [0,1,0,0,0,1|1,0,1]=4 73 B14R2.68 Oc1ccc(cc1)c2cncnc2 CSC011997985 [0,1,0,0,0,1|0,0,1]=3 74 B14R2.19 Brc1ncn(n1)Cc2ccccc2 CSC010205725 [0,1,0,0,0,1|1,0,1]=4 75 B14R2.19 Clc1ncn(n1)Cc2ccccc2 CSC000144077 [0,1,0,0,0,1|1,0,1]=4 76 B14R2.30 Cc1nccn1Cc2ccccc2 CSC011215648 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.50 Brc1ccccc1Cn2ccnc2 CSC000240200 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.50 Cc1ccccc1Cn2ccnc2 CSC000240199 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.50 Clc1ccccc1Cn2ccnc2 CSC000188497 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.50 Fc1ccccc1Cn2ccnc2 CSC000188496 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.72 Brc1ccc(cc1)Cn2ccnc2 CSC000188502 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.72 Brc1ccc(cc1)Cn2cncn2 CSC011493568 [0,1,0,0,0,1|1,0,1]=4 83 B14R2.72 Cc1ccc(cc1)Cn2ccnc2 CSC000188503 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.72 Clc1ccc(cc1)Cn2ccnc2 CSC000188499 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.72 Fc1ccc(cc1)Cn2ccnc2 CSC000188501 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.72 Ic1ccc(cc1)Cn2cncn2 CSC011356882 [0,1,0,0,0,1|1,0,1]=4 87 B14R2.716 Cc1cccc(c1)Cn2ccnc2 CSC000188505 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.716 Fc1cccc(c1)Cn2ccnc2 CSC000240186 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.716 Nc1cccc(c1)Cn2cncn2 CSC000741842 [0,1,0,0,0,1|1,0,1]=4 90 B14R2.8 CSc1nc(cs1)c2ccccc2 CSC015331355 [0,2,0,0,0,0|1,0,1]=4 91 B14R2.8 CSc1ncn(n1)c2ccccc2 CSC016170360 [0,2,0,0,0,0|1,0,1]=4 92 B14R2.20 Cc1ccc(cc1)c2cnn(c2)C CSC011996006 [0,2,0,0,0,0|2,0,0]=4 93 B14R2.20 Cc1ccc(o1)c2ccc(cc2)N CSC000185975 [0,2,0,0,0,0|2,0,0]=4 94 B14R2.20 Cc1nnc(o1)c2ccc(cc2)C CSC000018793 [0,2,0,0,0,0|2,0,0]=4 95 B14R2.20 Cc1nnc(o1)c2ccc(cc2)F CSC000018773 [0,2,0,0,0,0|2,0,0]=4 96 B14R2.20 Cc1noc(n1)c2ccc(cc2)Br CSC000756751 [0,2,0,0,0,0|1,0,1]=4 97 B14R2.20 Cc1noc(n1)c2ccc(cc2)C CSC000073342 [0,2,0,0,0,0|1,0,1]=4 98 B14R2.20 Cc1noc(n1)c2ccc(cc2)N CSC011242755 [0,2,0,0,0,0|1,0,1]=4 99 B14R2.20 Cn1cc(cn1)c2ccc(cc2)N CSC011399976 [0,2,0,0,0,0|2,0,0]=4 100 B14R2.20 Fc1ccc(cc1)c2noc(=O)[nH]2 CSC011388234 [0,2,0,0,0,0|2,0,0]=4 101 B14R2.22 Cc1cc(sn1)c2cccc(c2)N CSC010730343 [0,2,0,0,0,0|2,0,0]=4 102 B14R2.22 Cc1ccc(o1)c2cccc(c2)N CSC011216340 [0,2,0,0,0,0|2,0,0]=4 103 B14R2.22 Cc1nc(c[nH]1)c2cccc(c2)N CSC000123238 [0,2,0,0,0,0|0,0,2]=4 104 B14R2.22 Cc1nc(cs1)c2cccc(c2)Cl CSC000169042 [0,2,0,0,0,0|1,0,1]=4 105 B14R2.22 Cc1nc(cs1)c2cccc(c2)F CSC000217349 [0,2,0,0,0,0|1,0,1]=4 106 B14R2.22 Cc1noc(n1)c2cccc(c2)Br CSC000756750 [0,2,0,0,0,0|1,0,1]=4 107 B14R2.22 Cc1noc(n1)c2cccc(c2)O CSC011935800 [0,2,0,0,0,0|1,0,1]=4 108 B14R2.256 Cc1ccc(o1)c2ccccc2N CSC011217610 [0,2,0,0,0,0|2,0,0]=4 109 B14R2.256 Cc1nnc(o1)c2ccccc2C CSC015277407 [0,2,0,0,0,0|2,0,0]=4 110 B14R2.256 Cc1nnc(o1)c2ccccc2F CSC000018779 [0,2,0,0,0,0|2,0,0]=4 111 B14R2.256 Cc1noc(n1)c2ccccc2Br CSC000756749 [0,2,0,0,0,0|1,0,1]=4 112 B14R2.256 Cc1noc(n1)c2ccccc2O CSC000186195 [0,2,0,0,0,0|1,0,1]=4 113 B14R2.598 Cc1nc(c(s1)C)c2ccccc2 CSC000169050 [0,2,0,0,0,0|1,0,1]=4 114 B14R2.1 N#Cc1ccc(cc1)c2ncc[nH]2 CSC000071802 [0,2,0,0,0,0|2,0,0]=4 115 B14R2.1 NCc1ccc(cc1)c2cccs2 CSC011219452 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.1 NCc1ccc(cc1)c2ccsc2 CSC011934684 [0,2,0,0,0,0|2,0,0]=4 117 B14R2.926 Cn1nccc1c2ccc(cc2)N CSC011961171 [0,2,0,0,0,0|2,0,0]=4 118 B14R2.10 COc1cccc(c1)c2nnco2 CSC000045077 [0,2,0,0,0,0|2,0,0]=4 119 B14R2.10 NCc1cccc(c1)c2cccs2 CSC011410623 [0,2,0,0,0,0|2,0,0]=4 120 B14R2.10 NCc1cccc(c1)c2ccsc2 CSC011934861 [0,2,0,0,0,0|2,0,0]=4 121 B14R2.296 Cn1nccc1c2ccccc2N CSC011961163 [0,2,0,0,0,0|2,0,0]=4 122 B14R2.98 COc1ccccc1n2ccnc2 CSC009852405 [0,2,0,0,0,0|2,0,0]=4 123 B14R2.101 C(Nc1ccccc1)c2cccs2 CSC000219589 [0,0,0,0,0,2|2,0,0]=4 124 B14R2.101 C(Sc1ncc[nH]1)c2ccccc2 CSC009928223 [0,0,0,0,0,2|2,0,0]=4 125 B14R2.101 C(Sc1nnc[nH]1)c2ccccc2 CSC000000440 [0,0,0,0,0,2|1,0,0]=3 126 B14R2.101 C(Sc1nnc[nH]1)c2cccnc2 CSC000044161 [0,0,0,0,0,2|2,0,0]=4