0 B13R2.3 c1cc(ccn1)c2ccncc2 CSC000185987 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3 c1ccc(cc1)c2ccccc2 CSC000185809 [0,0,0,0,0,0|0,0,0]=0 2 B13R2.3 c1ccc(cc1)c2ccncc2 CSC011204177 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.3 c1ccc(cc1)c2cncnc2 CSC000075717 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.3 c1ccc(cc1)c2ncccn2 CSC000067487 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.3 c1ccc(nc1)c2cncnc2 CSC009870145 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.21 Cc1cccc(n1)c2ccccc2 CSC000066379 [0,1,0,0,0,0|1,0,0]=2 7 B14R2.21 Cc1ccnc(c1)c2ccccc2 CSC000074759 [0,1,0,0,0,0|1,0,0]=2 8 B14R2.21 Cc1cncc(c1)c2ccccc2 CSC000041237 [0,1,0,0,0,0|1,0,0]=2 9 B14R2.21 Fc1cccc(c1)c2ccccn2 CSC000117250 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.21 Nc1cccc(c1)c2ccccn2 CSC011894357 [0,1,0,0,0,0|1,0,0]=2 11 B14R2.21 Nc1cccc(c1)c2cccnc2 CSC011399840 [0,1,0,0,0,0|1,0,0]=2 12 B14R2.21 Nc1cncc(c1)c2ccccc2 CSC011997052 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.21 Oc1cccc(c1)c2ccccc2 CSC011215446 [0,1,0,0,0,0|0,0,0]=1 14 B14R2.24 Cc1ccccc1c2ccccc2 CSC000035869 [0,1,0,0,0,0|0,0,0]=1 15 B14R2.24 Cc1cccnc1c2ccccc2 CSC000037425 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.24 Fc1ccccc1c2ccccc2 CSC000039657 [0,1,0,0,0,0|0,0,0]=1 17 B14R2.24 Nc1ccccc1c2ccccc2 CSC000210918 [0,1,0,0,0,0|0,0,0]=1 18 B14R2.24 Nc1ccccc1c2cccnc2 CSC011399838 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.24 Nc1ccccc1c2cncnc2 CSC011688939 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.24 Nc1cccnc1c2ccccc2 CSC000706567 [0,1,0,0,0,0|1,0,0]=2 21 B14R2.68 Cc1ccc(cc1)c2ccccn2 CSC000035180 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.68 Clc1ccc(cc1)c2ccccc2 CSC011217223 [0,1,0,0,0,0|0,0,0]=1 23 B14R2.68 Fc1ccc(cc1)c2ccccc2 CSC000040000 [0,1,0,0,0,0|0,0,0]=1 24 B14R2.68 Fc1ccc(cc1)c2ccncc2 CSC000088885 [0,1,0,0,0,0|1,0,0]=2 25 B14R2.68 Nc1ccc(cc1)c2cccnc2 CSC011399839 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.68 Nc1ccc(cc1)c2ccncc2 CSC011410175 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.68 Nc1ccc(cn1)c2ccccc2 CSC000743117 [0,1,0,0,0,0|1,0,0]=2 28 B14R2.68 Nc1ccc(cn1)c2cccnc2 CSC011688803 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.68 Oc1ccc(cc1)c2cncnc2 CSC011997985 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.30 C=CCNC(=O)c1ccccc1 CSC000160304 [0,0,1,0,0,0|2,0,1]=4 31 B12R1.30 C=CCOC(=O)c1ccccc1 CSC000006409 [0,0,1,0,0,0|2,0,1]=4 32 B12R2.2 c1c[nH]c(n1)c2ccccc2 CSC000211779 [0,0,0,0,1,0|2,0,0]=3 33 B12R2.2 c1cc(cs1)c2ccccn2 CSC000036383 [0,0,0,0,1,0|2,0,0]=3 34 B12R2.2 c1csc(n1)c2ccccc2 CSC011996109 [0,0,0,0,1,0|2,0,0]=3 35 B12R2.2 c1nc(n[nH]1)c2ccccc2 CSC000757066 [0,0,0,0,1,0|3,0,0]=4 36 B13R2.10 Cc1cc([nH]n1)c2ccccc2 CSC000009428 [0,1,0,0,1,0|2,0,0]=4 37 B13R2.10 Cc1csc(n1)c2ccccc2 CSC000169097 [0,1,0,0,1,0|2,0,0]=4 38 B13R2.10 Cn1ccc(n1)c2ccccc2 CSC012186690 [0,1,0,0,1,0|2,0,0]=4 39 B13R2.10 Cn1cnc(c1)c2ccccc2 CSC009840319 [0,1,0,0,1,0|2,0,0]=4 40 B13R2.12 Clc1ccc(cc1)c2c[nH]cn2 CSC000043199 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.12 Clc1ccc(cc1)c2cccs2 CSC000084716 [0,1,0,0,1,0|1,0,0]=3 42 B13R2.12 Fc1ccc(cc1)c2cccs2 CSC000084713 [0,1,0,0,1,0|1,0,0]=3 43 B13R2.12 Nc1ccc(cc1)c2c[nH]cn2 CSC000018468 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.12 Nc1ccc(cc1)c2ccsc2 CSC000726281 [0,1,0,0,1,0|1,0,0]=3 45 B13R2.12 Nc1ccc(cc1)c2ncc[nH]2 CSC000746964 [0,1,0,0,1,0|2,0,0]=4 46 B13R2.12 Nc1ccc(nc1)c2cccs2 CSC011934879 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.12 Oc1ccc(cc1)c2ncc[nH]2 CSC000748570 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.13 Cc1cc(ccn1)c2ccsc2 CSC009857989 [0,1,0,0,1,0|2,0,0]=4 49 B13R2.13 Cc1cccc(n1)c2ccsc2 CSC009862844 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.13 Cc1ccnc(c1)c2ccsc2 CSC009866338 [0,1,0,0,1,0|2,0,0]=4 51 B13R2.13 Nc1cccc(c1)c2cccs2 CSC000737012 [0,1,0,0,1,0|1,0,0]=3 52 B13R2.13 Nc1cccc(c1)c2ccn[nH]2 CSC016048636 [0,1,0,0,1,0|2,0,0]=4 53 B13R2.15 Cc1ccsc1c2ccccn2 CSC000086184 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.15 Cn1ccnc1c2ccccc2 CSC009860139 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.15 Cn1nccc1c2ccccc2 CSC011464477 [0,1,0,0,1,0|2,0,0]=4 56 B13R2.18 Oc1ccccc1c2ccn[nH]2 CSC000745709 [0,1,0,0,1,0|2,0,0]=4 57 B15R2.29 Brc1cnc(nc1)Nc2ccccc2 CSC011939124 [0,1,0,0,0,1|2,0,0]=4 58 B15R2.29 Fc1ccc(cc1)Oc2ncccn2 CSC032195680 [0,1,0,0,0,1|2,0,0]=4 59 B15R2.29 Ic1ccc(cc1)Oc2ncccn2 CSC000173529 [0,1,0,0,0,1|2,0,0]=4 60 B15R2.31 Ic1cccc(c1)Oc2ncccn2 CSC000171928 [0,1,0,0,0,1|2,0,0]=4 61 B15R2.38 O=c1ccccn1Cc2ccccc2 CSC000204102 [0,1,0,0,0,1|1,0,0]=3 62 B15R2.38 O=c1ncccn1Cc2ccccc2 CSC011434294 [0,1,0,0,0,1|2,0,0]=4 63 B15R2.17 COc1cccc(c1)c2ccccn2 CSC000116964 [0,2,0,0,0,0|1,0,0]=3 64 B15R2.17 COc1cccc(n1)c2ccccc2 CSC000101193 [0,2,0,0,0,0|1,0,0]=3 65 B15R2.17 N#Cc1cccc(c1)c2cccnc2 CSC000084667 [0,2,0,0,0,0|1,0,0]=3 66 B15R2.17 NCc1cccc(c1)c2ccccc2 CSC011219464 [0,2,0,0,0,0|0,0,0]=2 67 B15R2.27 Clc1cc(cc(c1)c2ccccn2)Cl CSC010185378 [0,2,0,0,0,0|1,0,0]=3 68 B15R2.27 Fc1cc(cc(c1)c2ccccn2)F CSC000086187 [0,2,0,0,0,0|1,0,0]=3 69 B15R2.28 Cc1cccc(c1)c2cnc(nc2)N CSC011997320 [0,2,0,0,0,0|2,0,0]=4 70 B15R2.28 Nc1ccc(cn1)c2cccc(c2)F CSC011688820 [0,2,0,0,0,0|1,0,0]=3 71 B15R2.28 Nc1cccc(c1)c2ccc(cc2)Cl CSC011218478 [0,2,0,0,0,0|0,0,0]=2 72 B15R2.28 Nc1cccc(c1)c2ccc(cc2)F CSC011217014 [0,2,0,0,0,0|0,0,0]=2 73 B15R2.28 Oc1ccc(cc1)c2cccc(c2)F CSC011997969 [0,2,0,0,0,0|0,0,0]=2 74 B15R2.28 Oc1cccc(c1)c2ccc(cc2)Cl CSC012339787 [0,2,0,0,0,0|0,0,0]=2 75 B15R2.30 Cc1cccc(c1)c2cccc(c2)N CSC011219688 [0,2,0,0,0,0|0,0,0]=2 76 B15R2.30 Nc1cccc(c1)c2cccc(c2)F CSC011219792 [0,2,0,0,0,0|0,0,0]=2 77 B15R2.94 Cc1ccc(cc1N)c2ccccc2 CSC011399881 [0,2,0,0,0,0|0,0,0]=2 78 B15R2.94 Clc1ccc(cc1Cl)c2ccccn2 CSC010185377 [0,2,0,0,0,0|1,0,0]=3 79 B15R2.94 Cn1nc(ccc1=O)c2ccccc2 CSC000054881 [0,2,0,0,0,0|2,0,0]=4 80 B15R2.332 Cc1ccccc1c2cccc(c2)N CSC011219844 [0,2,0,0,0,0|0,0,0]=2 81 B15R2.21 COc1ccccc1c2ccccc2 CSC000028997 [0,2,0,0,0,0|0,0,0]=2 82 B15R2.21 COc1ccccc1c2ccccn2 CSC000084671 [0,2,0,0,0,0|1,0,0]=3 83 B15R2.21 N#Cc1ccccc1c2ccccc2 CSC000065397 [0,2,0,0,0,0|0,0,0]=2 84 B15R2.308 Nc1ccccc1c2ccc(cc2)Cl CSC011219812 [0,2,0,0,0,0|0,0,0]=2 85 B15R2.308 Nc1cccnc1c2ccc(cc2)Cl CSC012022112 [0,2,0,0,0,0|1,0,0]=3 86 B15R2.389 Fc1ccc(c(c1)F)c2ccccn2 CSC000068491 [0,2,0,0,0,0|1,0,0]=3 87 B15R2.555 Cc1ccccc1c2ccccc2N CSC011217144 [0,2,0,0,0,0|0,0,0]=2 88 B15R2.555 Cc1ccccc1c2ncccc2N CSC011955910 [0,2,0,0,0,0|1,0,0]=3 89 B15R2.555 Nc1ccccc1c2ccccc2F CSC011689216 [0,2,0,0,0,0|0,0,0]=2 90 B15R2.1 COc1ccc(cc1)c2ccccc2 CSC000005834 [0,2,0,0,0,0|0,0,0]=2 91 B15R2.1 COc1ccc(cc1)c2ccccn2 CSC000065657 [0,2,0,0,0,0|1,0,0]=3 92 B15R2.1 COc1ccc(cc1)c2ccncc2 CSC000074785 [0,2,0,0,0,0|1,0,0]=3 93 B15R2.1 COc1ccc(cn1)c2ccccn2 CSC000117538 [0,2,0,0,0,0|2,0,0]=4 94 B15R2.1 CSc1ccc(cc1)c2ccccc2 CSC000052044 [0,2,0,0,0,0|0,0,0]=2 95 B15R2.1 CSc1ccc(cc1)c2ccccn2 CSC010163888 [0,2,0,0,0,0|1,0,0]=3 96 B15R2.1 NCc1ccc(cc1)c2ccccc2 CSC000168354 [0,2,0,0,0,0|0,0,0]=2 97 B15R2.1 OCc1ccc(cc1)c2ccccn2 CSC000067868 [0,2,0,0,0,0|1,0,0]=3 98 B15R2.3 Cc1ccc(cc1)c2ccc(cn2)N CSC011997323 [0,2,0,0,0,0|1,0,0]=3 99 B15R2.3 Cc1ccc(cc1)c2ccc(nc2)N CSC011688805 [0,2,0,0,0,0|1,0,0]=3 100 B15R2.3 Cc1ccc(cc1)c2cnc(nc2)N CSC011997321 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.3 Nc1ccc(cc1)c2ccc(cc2)Cl CSC011218009 [0,2,0,0,0,0|0,0,0]=2 102 B15R2.3 Nc1ccc(cc1)c2ccc(cc2)F CSC011217284 [0,2,0,0,0,0|0,0,0]=2 103 B15R2.3 Nc1ccc(cc1)c2ccc(cc2)O CSC000076097 [0,2,0,0,0,0|0,0,0]=2 104 B15R2.3 Oc1ccc(cc1)c2ccc(cc2)O CSC000042617 [0,2,0,0,0,0|0,0,0]=2 105 B13R2.1613 CNc1cccc2c1cccc2 CSC000220138 [0,0,1,1,0,0|1,0,1]=4 106 B13R2.1613 COc1cccc2c1cccc2 CSC000170064 [0,0,1,1,0,0|1,0,1]=4 107 B11R2.2 c1cc(cs1)c2ccsc2 CSC000033142 [0,0,0,0,2,0|2,0,0]=4 108 B11R2.2 c1csc(c1)c2cccs2 CSC000032401 [0,0,0,0,2,0|2,0,0]=4 109 B15R2.2195 C(=Cc1ccncn1)c2ccccc2 CSC046097546 [0,0,0,0,0,2|2,0,0]=4 110 B15R2.2195 C(Nc1ccccc1)c2ccccc2 CSC000188819 [0,0,0,0,0,2|0,0,0]=2 111 B15R2.2195 C(Nc1ccccc1)c2cccnc2 CSC011211160 [0,0,0,0,0,2|1,0,0]=3 112 B15R2.2195 C(Nc1ccccn1)c2ccccn2 CSC000156431 [0,0,0,0,0,2|2,0,0]=4 113 B15R2.2195 C(Nc1ccccn1)c2cccnc2 CSC000156437 [0,0,0,0,0,2|2,0,0]=4 114 B15R2.2195 C(Nc1cccnc1)c2ccccc2 CSC011230970 [0,0,0,0,0,2|1,0,0]=3 115 B15R2.2195 C(Oc1ccncc1)c2ccccc2 CSC000045163 [0,0,0,0,0,2|1,0,0]=3 116 B15R2.2195 C(Sc1ccccc1)c2ccccc2 CSC000000821 [0,0,0,0,0,2|0,0,0]=2 117 B15R2.2195 C(Sc1ccccc1)c2cccnc2 CSC000044157 [0,0,0,0,0,2|1,0,0]=3 118 B15R2.2195 C(Sc1ccccn1)c2ccccn2 CSC000031117 [0,0,0,0,0,2|2,0,0]=4 119 B15R2.2195 C(Sc1ncccn1)c2ccccc2 CSC000000291 [0,0,0,0,0,2|2,0,0]=4