0 B15R3.15273 Cc1cccc2c1-n3cccc3C2 Amb27624452 [0,0,0,0,0,0|3,0,0]=3 1 B15R3.15273 Cc1cccc2nc3cnnc3c12 Amb28252454 [0,0,0,0,0,0|4,0,0]=4 2 B15R3.15273 Cc1cccc2sc3nncn3c12 Amb8385239 [0,0,0,0,0,0|0,0,0]=0 3 B14R3.49 C1=NCc2cc3ccccc3n21 Amb27431964 [1,0,0,0,0,0|2,0,0]=3 4 B14R3.49 c1ccc-2c(c1)Cn3nncc32 Amb26936310 [1,0,0,0,0,0|3,0,0]=4 5 B14R3.49 c1ccc2c(c1)NC3=NCCN32 Amb17873449 [1,0,0,0,0,0|2,0,1]=4 6 B14R3.49 c1ccc2c(c1)NC3=NCCN32 Amb22493775 [1,0,0,0,0,0|2,0,1]=4 7 B14R3.49 c1ccc2c(c1)nc3occn32 Amb24564324 [1,0,0,0,0,0|3,0,0]=4 8 B14R3.49 c1ccc2c(c1)nc3sccn32 Amb595507 [1,0,0,0,0,0|3,0,0]=4 9 B14R3.49 c1ccc2c(c1)sc3cccn32 Amb4558033 [1,0,0,0,0,0|2,0,0]=3 10 B14R3.49 c1ccc2c(c1)sc3nncn32 Amb1147135 [1,0,0,0,0,0|0,0,0]=1 11 B14R3.49 c1ccc2c(c1)sc3nnnn32 Amb771215 [1,0,0,0,0,0|1,0,0]=2 12 B14R3.49 c1ccc2c(c1)sc3nnsc32 Amb5721529 [1,0,0,0,0,0|2,0,0]=3 13 B16R3.44009 CCc1cccc2sc3nncn3c12 Amb32640723 [0,1,0,0,0,0|0,0,0]=1 14 B16R3.44009 COc1cccc2sc3nncn3c12 Amb32640880 [0,1,0,0,0,0|0,0,0]=1 15 B16R3.52705 Brc1cc(Br)c2c(c1)sc3nncn32 Amb32640659 [0,1,0,0,0,0|1,0,0]=2 16 B16R3.52705 Brc1cc(I)c2c(c1)sc3nncn32 Amb32640691 [0,1,0,0,0,0|1,0,0]=2 17 B16R3.52705 Brc1cc(I)cc2sc3nncn3c12 Amb32640657 [0,1,0,0,0,0|1,0,0]=2 18 B16R3.52705 Cc1cc(C)c2c(c1)sc3nncn32 Amb29849074 [0,1,0,0,0,0|0,0,0]=1 19 B16R3.52705 Cc1cc(I)cc2sc3nncn3c12 Amb32640796 [0,1,0,0,0,0|0,0,0]=1 20 B16R3.52705 Clc1cc(Br)c2c(c1)sc3nncn32 Amb32640660 [0,1,0,0,0,0|1,0,0]=2 21 B16R3.52705 Clc1cc(Br)cc2sc3nncn3c12 Amb32640651 [0,1,0,0,0,0|1,0,0]=2 22 B16R3.52705 Clc1cc(I)c2c(c1)sc3nncn32 Amb32640692 [0,1,0,0,0,0|1,0,0]=2 23 B16R3.52705 Clc1cc(I)cc2sc3nncn3c12 Amb32640653 [0,1,0,0,0,0|1,0,0]=2 24 B16R3.52705 Fc1cc(Br)c2c(c1)sc3nncn32 Amb32640661 [0,1,0,0,0,0|1,0,0]=2 25 B16R3.52705 Fc1cc(Br)cc2sc3nncn3c12 Amb32640634 [0,1,0,0,0,0|1,0,0]=2 26 B16R3.52705 Fc1cc(Cl)cc2sc3nncn3c12 Amb32640636 [0,1,0,0,0,0|1,0,0]=2 27 B16R3.52705 Fc1cc(I)c2c(c1)sc3nncn32 Amb32640693 [0,1,0,0,0,0|1,0,0]=2 28 B16R3.52705 Fc1cc(I)cc2sc3nncn3c12 Amb32640633 [0,1,0,0,0,0|1,0,0]=2 29 B16R3.184882 Cc1cn2c(n1)sc3cccc(Br)c32 Amb28240917 [0,1,0,0,0,0|2,0,0]=3 30 B16R3.184882 Cc1cn2c(n1)sc3cccc(C)c32 Amb28435194 [0,1,0,0,0,0|1,0,0]=2 31 B16R3.184882 Cc1cn2c(n1)sc3cccc(Cl)c32 Amb26057280 [0,1,0,0,0,0|2,0,0]=3 32 B16R3.185153 Nc1nnc2sc3cccc(Cl)c3n12 Amb3466177 [0,1,0,0,0,0|1,0,0]=2 33 B16R3.185153 Nc1nnc2sc3cccc(F)c3n12 Amb3466176 [0,1,0,0,0,0|1,0,0]=2 34 B14R2.111 C=CCc1cc2c(C)cccc2s1 Amb22750549 [0,0,1,0,0,0|3,0,0]=4 35 B14R2.296 Cc1ccccc1-c2cnoc2Br Amb27437957 [0,0,1,0,0,0|3,0,0]=4 36 B14R2.296 Cc1ccccc1-c2cnoc2N Amb10604715 [0,0,1,0,0,0|3,0,0]=4 37 B14R2.296 Cc1ccccc1-c2conc2N Amb17334977 [0,0,1,0,0,0|3,0,0]=4 38 B14R2.296 Cc1ccccc1-n2ccnc2Br Amb17409465 [0,0,1,0,0,0|2,0,0]=3 39 B14R2.296 Cc1ccccc1-n2ccnc2S Amb424272 [0,0,1,0,0,0|1,0,0]=2 40 B14R2.296 Cc1ccccc1-n2cnnc2C Amb27803669 [0,0,1,0,0,0|1,0,0]=2 41 B14R2.296 Cc1ccccc1-n2cnnc2S Amb6555109 [0,0,1,0,0,0|0,0,0]=1 42 B14R2.296 Cc1ccccc1-n2nnnc2Cl Amb23569010 [0,0,1,0,0,0|2,0,0]=3 43 B14R2.296 Cc1ccccc1-n2nnnc2S Amb1104368 [0,0,1,0,0,0|1,0,0]=2 44 B14R2.296 Cc1ccccc1N2C=CNC2=S Amb18039842 [0,0,1,0,0,0|1,0,2]=4 45 B14R2.296 Cc1ccncc1-n2ccnc2S Amb27440139 [0,0,1,0,0,0|2,0,0]=3 46 B14R2.296 Cc1ncccc1-n2cnnc2Cl Amb28457804 [0,0,1,0,0,0|2,0,0]=3 47 B14R2.296 Cc1ncccc1-n2cnnc2S Amb28383297 [0,0,1,0,0,0|1,0,0]=2 48 B14R2.296 Cc1nccn1-c2ccccc2N Amb10610266 [0,0,1,0,0,0|3,0,0]=4 49 B14R2.296 Cc1nccn1-c2ccccc2N Amb1137374 [0,0,1,0,0,0|3,0,0]=4 50 B14R2.296 Cc1nccn1-c2ccccc2N Amb28963427 [0,0,1,0,0,0|3,0,0]=4 51 B14R2.296 Cc1nncn1-c2ccccc2N Amb24726233 [0,0,1,0,0,0|2,0,0]=3 52 B14R2.296 Clc1ccccc1-n2ccnc2Br Amb17415174 [0,0,1,0,0,0|3,0,0]=4 53 B14R2.296 Clc1ccccc1-n2nnnc2Cl Amb23569024 [0,0,1,0,0,0|3,0,0]=4 54 B14R2.296 Clc1nncn1-c2ccccc2Br Amb27395030 [0,0,1,0,0,0|2,0,0]=3 55 B14R2.296 Fc1ccccc1-n2ccnc2Br Amb17410334 [0,0,1,0,0,0|3,0,0]=4 56 B14R2.296 Fc1ccccc1-n2cnnc2S Amb435797 [0,0,1,0,0,0|1,0,0]=2 57 B14R2.296 Fc1ccccc1-n2nnnc2Cl Amb10844934 [0,0,1,0,0,0|3,0,0]=4 58 B14R2.296 Nc1ccccc1-n2ccnc2N Amb27180013 [0,0,1,0,0,0|3,0,0]=4 59 B14R2.296 Nc1ccccc1-n2ccnc2S Amb28048877 [0,0,1,0,0,0|2,0,0]=3 60 B14R2.296 Nc1ccccc1N2C=NNC2=O Amb27762999 [0,0,1,0,0,0|1,1,1]=4 61 B14R2.296 Nc1ccccc1N2CCN=C2S Amb25943085 [0,0,1,0,0,0|2,0,1]=4 62 B14R2.296 Nc1nnnn1-c2ccccc2F Amb33548392 [0,0,1,0,0,0|3,0,0]=4 63 B14R2.296 Nc1nnnn1-c2ccccc2I Amb27470603 [0,0,1,0,0,0|3,0,0]=4 64 B14R2.296 Nc1nnnn1-c2ccccc2O Amb27180074 [0,0,1,0,0,0|3,0,0]=4 65 B14R2.296 O=C1N=NNN1c2ccccc2Cl Amb19777279 [0,0,1,0,0,0|2,1,0]=4 66 B14R2.296 O=C1NN=CN1c2ccccc2F Amb19959313 [0,0,1,0,0,0|1,1,1]=4 67 B14R2.716 Brc1cccc(Nc2nncs2)c1 Amb25094441 [0,0,1,0,0,0|3,0,0]=4 68 B14R2.716 Cc1cccc(CC2=NCCN2)c1 Amb18065545 [0,0,1,0,0,0|2,0,1]=4 69 B14R2.716 Cc1cccc(Cc2nnco2)c1 Amb26881075 [0,0,1,0,0,0|2,0,0]=3 70 B14R2.716 Cc1cccc(NC2=NCCN2)c1 Amb27635113 [0,0,1,0,0,0|2,0,1]=4 71 B14R2.716 Cc1cccc(Nc2nccs2)c1 Amb3684220 [0,0,1,0,0,0|3,0,0]=4 72 B14R2.716 Cc1cccc(Nc2nnns2)c1 Amb24639106 [0,0,1,0,0,0|3,0,0]=4 73 B14R2.716 Cc1cccc(Sc2nccs2)c1 Amb27973694 [0,0,1,0,0,0|2,0,0]=3 74 B14R2.716 Clc1cc(Sc2nncs2)ccn1 Amb28314053 [0,0,1,0,0,0|3,0,0]=4 75 B14R2.716 Nc1cccc(Nc2nncs2)c1 Amb27217179 [0,0,1,0,0,0|3,0,0]=4 76 B14R2.716 Nc1cccc(Oc2nncs2)c1 Amb21927425 [0,0,1,0,0,0|2,1,0]=4 77 B14R2.716 Oc1cccc(Oc2nncs2)c1 Amb28397364 [0,0,1,0,0,0|2,1,0]=4 78 B14R2.716 Oc1cccc(Sc2nncs2)c1 Amb27873077 [0,0,1,0,0,0|2,0,0]=3 79 B14R2.9066 Cc1cccc(Br)c1-n2cccc2 Amb35721156 [0,0,1,0,0,0|3,0,0]=4 80 B14R2.9066 Cc1cccc(C)c1-n2cccc2 Amb6373947 [0,0,1,0,0,0|3,0,0]=4 81 B14R2.9066 Cc1cccc(C)c1-n2ccnc2 Amb13953076 [0,0,1,0,0,0|2,0,0]=3 82 B14R2.9066 Cc1cccc(C)c1-n2cnnn2 Amb6371092 [0,0,1,0,0,0|2,0,0]=3 83 B14R2.9066 Cc1cccc(O)c1-n2cccc2 Amb21961834 [0,0,1,0,0,0|2,1,0]=4 84 B14R2.9066 Cc1ccnc(N)c1-n2cnnc2 Amb18197216 [0,0,1,0,0,0|2,0,0]=3 85 B14R2.9066 Clc1cccc(Cl)c1-n2ccnc2 Amb26953377 [0,0,1,0,0,0|3,0,0]=4 86 B14R2.9066 Fc1cccc(F)c1-n2ccnc2 Amb27216048 [0,0,1,0,0,0|3,0,0]=4 87 B14R2.9066 Nc1cccc(Br)c1-n2ccnc2 Amb30035789 [0,0,1,0,0,0|3,0,0]=4 88 B14R2.9066 Nc1cccc(Cl)c1-n2ccnc2 Amb1120804 [0,0,1,0,0,0|3,0,0]=4 89 B14R2.9066 Nc1cccc(F)c1-n2cnnc2 Amb27801998 [0,0,1,0,0,0|2,0,0]=3 90 B14R2.19007 Cc1cccc2sc(Br)c(C=O)c12 Amb28130657 [0,0,1,0,0,0|3,0,0]=4 91 B14R2.19007 Cc1cccc2sc(Cl)c(C=O)c12 Amb18675054 [0,0,1,0,0,0|3,0,0]=4 92 B14R2.19007 Cc1cccc2sc(F)c(C=O)c12 Amb27618695 [0,0,1,0,0,0|3,0,0]=4 93 B14R2.19007 Cc1cccc2sc(I)c(C=O)c12 Amb27202879 [0,0,1,0,0,0|3,0,0]=4 94 B14R2.19007 Cc1sc2cccc(C)c2c1C=O Amb27192961 [0,0,1,0,0,0|3,0,0]=4 95 B16R3.27813 Clc1cccc2c1Cn3ccnc3N2 Amb27464484 [0,0,0,0,0,1|3,0,0]=4 96 B16R3.27838 Brc1cccc2c1-c3cncnc3C2 Amb27872444 [0,0,0,0,0,1|3,0,0]=4 97 B16R3.27838 Cc1cccc2nc3ccccn3c12 Amb28385154 [0,0,0,0,0,1|3,0,0]=4 98 B16R3.27838 Cc1cccc2sc3ccccc3c12 Amb10601617 [0,0,0,0,0,1|3,0,0]=4 99 B16R3.118040 Cc1cccc2c1-n3nnnc3CN2 Amb28239697 [0,0,0,0,0,1|2,0,0]=3 100 B13R2.26 C=NNc1nc2ccccc2s1 Amb27633644 [1,0,1,0,0,0|0,0,2]=4 101 B13R2.26 Cl\N=N\c1nc2ccccc2s1 Amb27258213 [1,0,1,0,0,0|1,0,1]=4 102 B13R2.15 Brc1cncn1-c2ccccc2 Amb4377525 [1,0,1,0,0,0|2,0,0]=4 103 B13R2.15 Brc1nccn1-c2ccccc2 Amb10982474 [1,0,1,0,0,0|2,0,0]=4 104 B13R2.15 Brc1nnnn1-c2ccccc2 Amb8947700 [1,0,1,0,0,0|2,0,0]=4 105 B13R2.15 Cc1nccn1-c2ccccc2 Amb28127089 [1,0,1,0,0,0|2,0,0]=4 106 B13R2.15 Cc1nncn1-c2ccccc2 Amb13949628 [1,0,1,0,0,0|1,0,0]=3 107 B13R2.15 Clc1nncn1-c2ccccc2 Amb7969697 [1,0,1,0,0,0|1,0,0]=3 108 B13R2.15 Clc1nnnn1-c2ccccc2 Amb1158885 [1,0,1,0,0,0|2,0,0]=4 109 B13R2.15 Fc1nnnn1-c2ccccc2 Amb35653852 [1,0,1,0,0,0|2,0,0]=4 110 B13R2.15 Ic1nccn1-c2ccccc2 Amb32685617 [1,0,1,0,0,0|2,0,0]=4 111 B13R2.15 Nc1nccn1-c2ccccc2 Amb18645185 [1,0,1,0,0,0|2,0,0]=4 112 B13R2.15 Nc1nncn1-c2ccccc2 Amb18948082 [1,0,1,0,0,0|1,0,0]=3 113 B13R2.15 Nc1nncn1-c2ccccc2 Amb32652471 [1,0,1,0,0,0|1,0,0]=3 114 B13R2.15 Nc1nncn1-c2cccnc2 Amb25937921 [1,0,1,0,0,0|2,0,0]=4 115 B13R2.15 Nc1nnnn1-c2ccccc2 Amb1147292 [1,0,1,0,0,0|2,0,0]=4 116 B13R2.15 O=C1N=NC=C1c2ccccc2 Amb24122127 [1,0,1,0,0,0|1,1,0]=4 117 B13R2.15 O=C1NN=CN1c2ccccc2 Amb19894691 [1,0,1,0,0,0|0,1,1]=4 118 B13R2.15 Oc1nnnn1-c2ccccc2 Amb22058731 [1,0,1,0,0,0|1,1,0]=4 119 B13R2.15 S=C1NN=CN1c2ccccc2 Amb19517718 [1,0,1,0,0,0|0,0,2]=4 120 B13R2.15 Sc1nccn1-c2ccccc2 Amb2421525 [1,0,1,0,0,0|1,0,0]=3 121 B13R2.15 Sc1nccn1-c2cccnc2 Amb9211784 [1,0,1,0,0,0|2,0,0]=4 122 B13R2.15 Sc1nncn1-c2ccccc2 Amb6512170 [1,0,1,0,0,0|0,0,0]=2 123 B13R2.15 Sc1nnnn1-c2ccccc2 Amb1152751 [1,0,1,0,0,0|1,0,0]=3 124 B13R2.15 Sc1nnnn1-c2cccnc2 Amb1086463 [1,0,1,0,0,0|2,0,0]=4 125 B13R2.18 Brc1ccccc1-n2ccnc2 Amb25726920 [1,0,1,0,0,0|2,0,0]=4 126 B13R2.18 Brc1ccccc1-n2cnnn2 Amb3377815 [1,0,1,0,0,0|2,0,0]=4 127 B13R2.18 Brc1cccnc1-n2cnnc2 Amb27791311 [1,0,1,0,0,0|2,0,0]=4 128 B13R2.18 Cc1ccccc1-c2cnoc2 Amb27814590 [1,0,1,0,0,0|2,0,0]=4 129 B13R2.18 Cc1ccccc1-n2cccc2 Amb2235028 [1,0,1,0,0,0|2,0,0]=4 130 B13R2.18 Cc1ccccc1-n2cnnc2 Amb21972126 [1,0,1,0,0,0|0,0,0]=2 131 B13R2.18 Cc1ccccc1-n2cnnn2 Amb21967675 [1,0,1,0,0,0|1,0,0]=3 132 B13R2.18 Cc1ccccc1N2C=NCC2 Amb27434408 [1,0,1,0,0,0|1,0,1]=4 133 B13R2.18 Cc1cccnc1-n2ccnc2 Amb27883530 [1,0,1,0,0,0|2,0,0]=4 134 B13R2.18 Cc1ccncc1-n2ccnc2 Amb20622394 [1,0,1,0,0,0|2,0,0]=4 135 B13R2.18 Cc1cnccc1-n2ccnc2 Amb25127505 [1,0,1,0,0,0|2,0,0]=4 136 B13R2.18 Cc1cnccc1-n2ccnc2 Amb33621252 [1,0,1,0,0,0|2,0,0]=4 137 B13R2.18 Clc1ccccc1-n2cnnc2 Amb27871506 [1,0,1,0,0,0|1,0,0]=3 138 B13R2.18 Clc1ccccc1-n2cnnn2 Amb25961615 [1,0,1,0,0,0|2,0,0]=4 139 B13R2.18 Fc1ccccc1-n2cnnn2 Amb26547353 [1,0,1,0,0,0|2,0,0]=4 140 B13R2.18 Ic1ccccc1-n2cnnn2 Amb27412305 [1,0,1,0,0,0|2,0,0]=4 141 B13R2.18 Nc1ccccc1-n2ccnc2 Amb1112418 [1,0,1,0,0,0|2,0,0]=4 142 B13R2.18 Nc1ccccc1-n2ccnc2 Amb17622121 [1,0,1,0,0,0|2,0,0]=4 143 B13R2.18 Nc1ccccc1-n2cnnc2 Amb18280281 [1,0,1,0,0,0|1,0,0]=3 144 B13R2.18 Nc1ccccc1-n2cnnn2 Amb1119208 [1,0,1,0,0,0|2,0,0]=4 145 B13R2.18 Nc1cccnc1-n2cnnc2 Amb18829967 [1,0,1,0,0,0|2,0,0]=4 146 B13R2.18 Oc1ccccc1-n2ccnc2 Amb18645308 [1,0,1,0,0,0|1,1,0]=4 147 B13R2.18 Oc1ccccc1-n2cnnc2 Amb6752527 [1,0,1,0,0,0|0,1,0]=3 148 B13R2.18 Oc1ccccc1-n2cnnn2 Amb10879708 [1,0,1,0,0,0|1,1,0]=4 149 B13R2.64 c1ccc(Nc2nncs2)cc1 Amb1152996 [1,0,1,0,0,0|2,0,0]=4 150 B13R2.64 c1ccc(SC2=NCCN2)cc1 Amb27975177 [1,0,1,0,0,0|1,0,1]=4 151 B13R2.64 c1ccc(Sc2nccs2)cc1 Amb10573494 [1,0,1,0,0,0|2,0,0]=4 152 B13R2.64 c1ccc(Sc2nncs2)nc1 Amb28281395 [1,0,1,0,0,0|2,0,0]=4 153 B13R2.45 CN1\C(=N/N)Sc2ccccc21 Amb32411524 [1,0,1,0,0,0|0,0,2]=4 154 B13R2.45 CN1\C(=N\N)Sc2ccccc21 Amb19222834 [1,0,1,0,0,0|0,0,2]=4 155 B13R2.45 CN1\C(=N\N)Sc2ccccc21 Amb28519114 [1,0,1,0,0,0|0,0,2]=4 156 B13R2.45 Cn1\c(=N/N)sc2ccccc21 Amb17846211 [1,0,1,0,0,0|0,0,2]=4 157 B13R2.45 Cn1\c(=N/N)sc2ccccc21 Amb19134501 [1,0,1,0,0,0|0,0,2]=4 158 B13R2.45 Cn1\c(=N\N)sc2ccccc21 Amb1103816 [1,0,1,0,0,0|0,0,2]=4 159 B13R2.45 Cn1\c(=N\N)sc2ccccc21 Amb33870996 [1,0,1,0,0,0|0,0,2]=4 160 B13R2.4856 CN1C(=N)Sc2cccc(F)c21 Amb28991084 [1,0,1,0,0,0|1,0,1]=4 161 B13R2.1 O\N=C\c1csc2ccccc12 Amb27452936 [1,0,1,0,0,0|2,0,0]=4 162 B13R2.135 C=CN1C(=O)Sc2ccccc21 Amb28242697 [1,0,1,0,0,0|2,0,0]=4 163 B13R2.135 C=CN1C(=S)Sc2ccccc21 Amb22452997 [1,0,1,0,0,0|2,0,0]=4 164 B13R2.135 CCN1C(=N)Sc2ccccc21 Amb28991077 [1,0,1,0,0,0|1,0,1]=4 165 B15R2.337 Cc1c(Br)cccc1-n2nnnc2C Amb27592374 [0,1,1,0,0,0|2,0,0]=4 166 B15R2.337 Cc1c(Cl)cccc1-n2ccnc2Br Amb17420005 [0,1,1,0,0,0|2,0,0]=4 167 B15R2.337 Cc1c(Cl)cccc1-n2ccnc2S Amb2316305 [0,1,1,0,0,0|1,0,0]=3 168 B15R2.337 Cc1c(Cl)cccc1-n2cnnc2Cl Amb27473179 [0,1,1,0,0,0|1,0,0]=3 169 B15R2.337 Cc1c(Cl)cncc1-n2ccnc2S Amb29858049 [0,1,1,0,0,0|2,0,0]=4 170 B15R2.337 Cc1c(Cl)cncc1-n2cnnc2Cl Amb35717775 [0,1,1,0,0,0|2,0,0]=4 171 B15R2.337 Cc1c(Cl)cncc1-n2cnnc2S Amb29858125 [0,1,1,0,0,0|1,0,0]=3 172 B15R2.337 Cc1c(Cl)cncc1-n2nnnc2S Amb35718016 [0,1,1,0,0,0|2,0,0]=4 173 B15R2.337 Cc1c(F)cccc1-n2ccnc2S Amb27956691 [0,1,1,0,0,0|1,0,0]=3 174 B15R2.337 Cc1c(F)cccc1-n2cnnc2Cl Amb28073758 [0,1,1,0,0,0|1,0,0]=3 175 B15R2.337 Cc1c(I)cccc1-n2ccnc2S Amb28119554 [0,1,1,0,0,0|1,0,0]=3 176 B15R2.337 Cc1c(I)cccc1-n2nnnc2S Amb27391918 [0,1,1,0,0,0|1,0,0]=3 177 B15R2.337 Cc1c(N)cccc1N2C=NNC2=O Amb28191132 [0,1,1,0,0,0|0,1,1]=4 178 B15R2.337 Cc1c(O)cccc1N2C=NNC2=O Amb27777783 [0,1,1,0,0,0|0,1,1]=4 179 B15R2.337 Cc1cccc(-n2ccnc2Br)c1C Amb17413315 [0,1,1,0,0,0|2,0,0]=4 180 B15R2.337 Cc1cccc(-n2ccnc2S)c1C Amb2312541 [0,1,1,0,0,0|1,0,0]=3 181 B15R2.337 Cc1cccc(-n2ccnc2S)c1F Amb28141011 [0,1,1,0,0,0|2,0,0]=4 182 B15R2.337 Cc1cccc(-n2cnnc2Cl)c1C Amb27473197 [0,1,1,0,0,0|1,0,0]=3 183 B15R2.337 Cc1cccc(-n2nnnc2Cl)c1C Amb23569014 [0,1,1,0,0,0|2,0,0]=4 184 B15R2.337 Cc1cccc(-n2nnnc2S)c1C Amb2313751 [0,1,1,0,0,0|1,0,0]=3 185 B15R2.337 Clc1c(Br)cccc1-n2cnnc2Cl Amb35611075 [0,1,1,0,0,0|2,0,0]=4 186 B15R2.337 Fc1c(Br)cccc1-n2ccnc2S Amb29883665 [0,1,1,0,0,0|2,0,0]=4 187 B15R2.337 Fc1c(Br)cccc1-n2cnnc2Cl Amb35654087 [0,1,1,0,0,0|2,0,0]=4 188 B15R2.337 Fc1c(Br)cccc1-n2cnnc2S Amb29883666 [0,1,1,0,0,0|1,0,0]=3 189 B15R2.337 Fc1c(Br)cccc1-n2nnnc2S Amb35615368 [0,1,1,0,0,0|2,0,0]=4 190 B15R2.337 Fc1c(Cl)cccc1-n2cnnc2Cl Amb27868185 [0,1,1,0,0,0|2,0,0]=4 191 B15R2.337 Fc1cccc(-n2ccnc2S)c1Cl Amb30016181 [0,1,1,0,0,0|2,0,0]=4 192 B15R2.337 Fc1cccc(-n2ccnc2S)c1F Amb28453568 [0,1,1,0,0,0|2,0,0]=4 193 B15R2.337 Fc1cccc(-n2cnnc2Cl)c1Cl Amb35611218 [0,1,1,0,0,0|2,0,0]=4 194 B15R2.337 Fc1cccc(-n2cnnc2S)c1Cl Amb30016182 [0,1,1,0,0,0|1,0,0]=3 195 B15R2.337 Fc1cccc(-n2nnnc2S)c1Cl Amb30016212 [0,1,1,0,0,0|2,0,0]=4 196 B15R2.337 Sc1nccn1-c2cccc(Br)c2Cl Amb35718372 [0,1,1,0,0,0|2,0,0]=4 197 B15R2.337 Sc1nncn1-c2cccc(Br)c2Cl Amb35718373 [0,1,1,0,0,0|1,0,0]=3 198 B15R2.337 Sc1nnnn1-c2cccc(Br)c2Cl Amb35675930 [0,1,1,0,0,0|2,0,0]=4 199 B15R2.390 Cc1ccc(Br)c(-n2cnnc2S)c1 Amb28381363 [0,1,1,0,0,0|1,0,0]=3 200 B15R2.390 Cc1ccc(Br)cc1-n2nnnc2S Amb9672806 [0,1,1,0,0,0|1,0,0]=3 201 B15R2.390 Cc1ccc(C)c(-n2ccnc2Br)c1 Amb17413311 [0,1,1,0,0,0|2,0,0]=4 202 B15R2.390 Cc1ccc(C)c(-n2ccnc2S)c1 Amb2312540 [0,1,1,0,0,0|1,0,0]=3 203 B15R2.390 Cc1ccc(C)c(-n2cnnc2S)c1 Amb6555169 [0,1,1,0,0,0|0,0,0]=2 204 B15R2.390 Cc1ccc(C)c(-n2nnnc2Cl)c1 Amb23569017 [0,1,1,0,0,0|2,0,0]=4 205 B15R2.390 Cc1ccc(C)c(-n2nnnc2S)c1 Amb1104353 [0,1,1,0,0,0|1,0,0]=3 206 B15R2.390 Cc1ccc(Cl)c(-n2cnnc2S)c1 Amb6555168 [0,1,1,0,0,0|1,0,0]=3 207 B15R2.390 Cc1ccc(Cl)cc1-n2ccnc2Br Amb17420006 [0,1,1,0,0,0|2,0,0]=4 208 B15R2.390 Cc1ccc(F)c(-n2nnnc2S)c1 Amb7804428 [0,1,1,0,0,0|2,0,0]=4 209 B15R2.390 Cc1ccc(F)cc1-n2nnnc2S Amb7804409 [0,1,1,0,0,0|1,0,0]=3 210 B15R2.390 Cc1ccc(I)cc1-n2nnnc2C Amb28288786 [0,1,1,0,0,0|2,0,0]=4 211 B15R2.390 Cc1ccc(I)cc1-n2nnnc2S Amb27473137 [0,1,1,0,0,0|1,0,0]=3 212 B15R2.390 Cc1ccc(N)cc1-n2ccnc2C Amb18821464 [0,1,1,0,0,0|2,0,0]=4 213 B15R2.390 Cc1ccc(N)cc1-n2cncc2C Amb18917143 [0,1,1,0,0,0|2,0,0]=4 214 B15R2.390 Cc1ccc(N)cc1-n2cnnc2C Amb18917174 [0,1,1,0,0,0|1,0,0]=3 215 B15R2.390 Cc1ccc(N)cc1-n2nnnc2C Amb9481652 [0,1,1,0,0,0|2,0,0]=4 216 B15R2.390 Cc1cnc(C)c(-n2ccnc2S)c1 Amb35715625 [0,1,1,0,0,0|2,0,0]=4 217 B15R2.390 Cc1cnc(C)c(-n2cnnc2Cl)c1 Amb35711118 [0,1,1,0,0,0|2,0,0]=4 218 B15R2.390 Cc1cnc(C)c(-n2cnnc2S)c1 Amb35715630 [0,1,1,0,0,0|1,0,0]=3 219 B15R2.390 Cc1cnc(C)c(-n2nnnc2S)c1 Amb35715400 [0,1,1,0,0,0|2,0,0]=4 220 B15R2.390 Cc1nncn1-c2cc(N)ccc2Cl Amb18917510 [0,1,1,0,0,0|2,0,0]=4 221 B15R2.390 Cc1nncn1-c2cc(N)ccc2F Amb18917216 [0,1,1,0,0,0|2,0,0]=4 222 B15R2.390 Fc1ccc(Br)c(-n2nnnc2S)c1 Amb27603068 [0,1,1,0,0,0|2,0,0]=4 223 B15R2.390 Fc1ccc(Cl)c(-n2cnnc2S)c1 Amb28248493 [0,1,1,0,0,0|1,0,0]=3 224 B15R2.390 Fc1ccc(Cl)c(-n2nnnc2S)c1 Amb27171161 [0,1,1,0,0,0|2,0,0]=4 225 B15R2.390 Fc1ccc(Cl)cc1-n2cnnc2Cl Amb27764488 [0,1,1,0,0,0|2,0,0]=4 226 B15R2.390 Fc1ccc(F)c(-n2cnnc2Cl)c1 Amb28068468 [0,1,1,0,0,0|2,0,0]=4 227 B15R2.390 Sc1nccn1-c2cc(Cl)ccc2I Amb35706373 [0,1,1,0,0,0|2,0,0]=4 228 B15R2.390 Sc1nncn1-c2cc(Cl)ccc2I Amb35706375 [0,1,1,0,0,0|1,0,0]=3 229 B15R2.390 Sc1nnnn1-c2cc(Br)ccc2Br Amb27752944 [0,1,1,0,0,0|2,0,0]=4 230 B15R2.390 Sc1nnnn1-c2cc(Br)ccc2Cl Amb27646230 [0,1,1,0,0,0|2,0,0]=4 231 B15R2.390 Sc1nnnn1-c2cc(Cl)ccc2I Amb29864478 [0,1,1,0,0,0|2,0,0]=4 232 B15R2.557 Cc1cn(-c2ccccc2F)c(S)n1 Amb27594606 [0,1,1,0,0,0|2,0,0]=4 233 B15R2.2302 CCc1ccccc1-n2cnnc2Cl Amb27493902 [0,1,1,0,0,0|1,0,0]=3 234 B15R2.2302 CCc1ccccc1-n2nnnc2Cl Amb23569019 [0,1,1,0,0,0|2,0,0]=4 235 B15R2.2302 CCc1ccccc1-n2nnnc2N Amb27779107 [0,1,1,0,0,0|2,0,0]=4 236 B15R2.2302 COc1ccccc1-n2ccnc2Br Amb17413936 [0,1,1,0,0,0|2,0,0]=4 237 B15R2.2302 COc1ccccc1-n2ccnc2S Amb9175132 [0,1,1,0,0,0|1,0,0]=3 238 B15R2.2302 COc1ccccc1-n2cnnc2S Amb1104904 [0,1,1,0,0,0|0,0,0]=2 239 B15R2.2302 COc1ccccc1-n2nnnc2Cl Amb23569022 [0,1,1,0,0,0|2,0,0]=4 240 B15R2.2302 COc1ccccc1-n2nnnc2S Amb1151848 [0,1,1,0,0,0|1,0,0]=3 241 B15R2.2302 CSc1ccccc1-n2cnnc2S Amb27457117 [0,1,1,0,0,0|0,0,0]=2 242 B15R2.2302 CSc1ccccc1-n2nnnc2N Amb27247944 [0,1,1,0,0,0|2,0,0]=4 243 B15R2.2302 CSc1ccccc1-n2nnnc2S Amb5248106 [0,1,1,0,0,0|1,0,0]=3 244 B15R2.2302 Cc1cncn1-c2ccccc2CN Amb28191124 [0,1,1,0,0,0|2,0,0]=4 245 B15R2.2302 Cc1nccn1-c2ccccc2CBr Amb28322261 [0,1,1,0,0,0|2,0,0]=4 246 B15R2.2302 Cc1nccn1-c2ccccc2CN Amb33362232 [0,1,1,0,0,0|2,0,0]=4 247 B15R2.2302 Cc1nccn1-c2ccccc2CN Amb33528066 [0,1,1,0,0,0|2,0,0]=4 248 B15R2.2302 Cc1nccn1-c2ccccc2CO Amb7775977 [0,1,1,0,0,0|2,0,0]=4 249 B15R2.2302 N#Cc1ccccc1-n2cnnc2Cl Amb27669829 [0,1,1,0,0,0|1,0,1]=4 250 B15R2.2302 NCc1ccccc1-n2ccnc2S Amb28051760 [0,1,1,0,0,0|1,0,0]=3 251 B15R2.2302 O=Cc1ccccc1-n2ccnc2S Amb27636518 [0,1,1,0,0,0|1,0,1]=4 252 B15R2.2348 CCc1nncn1-c2ccccc2N Amb25994254 [0,1,1,0,0,0|2,0,0]=4 253 B15R2.2348 CNc1nnnn1-c2ccccc2C Amb28119211 [0,1,1,0,0,0|2,0,0]=4 254 B15R2.2348 Cc1ccccc1-n2ccnc2CN Amb18564439 [0,1,1,0,0,0|2,0,0]=4 255 B15R2.2348 Cc1ccccc1-n2cncc2C#N Amb27438255 [0,1,1,0,0,0|2,0,0]=4 256 B15R2.2348 Cc1ccccc1-n2cncc2C=O Amb27966144 [0,1,1,0,0,0|1,1,0]=4 257 B15R2.2348 Cc1ccccc1-n2cnnc2C=O Amb27634310 [0,1,1,0,0,0|0,1,0]=3 258 B15R2.2348 Cc1ccccc1-n2cnnc2CN Amb18863348 [0,1,1,0,0,0|1,0,0]=3 259 B15R2.2348 Cc1ccccc1-n2nnnc2CCl Amb8827349 [0,1,1,0,0,0|2,0,0]=4 260 B15R2.2348 Cc1ccccc1-n2nnnc2CN Amb17567101 [0,1,1,0,0,0|2,0,0]=4 261 B15R2.2348 Cc1ccccc1-n2nnnc2NN Amb9783291 [0,1,1,0,0,0|2,0,0]=4 262 B15R2.2348 Cc1ccncc1-n2cnnc2CCl Amb27758388 [0,1,1,0,0,0|2,0,0]=4 263 B15R2.2348 Cc1ccncc1-n2cnnc2CO Amb27233267 [0,1,1,0,0,0|1,1,0]=4 264 B15R2.2348 NCc1nncn1-c2ccccc2Br Amb18228317 [0,1,1,0,0,0|2,0,0]=4 265 B15R2.2348 NCc1nncn1-c2ccccc2Cl Amb18865904 [0,1,1,0,0,0|2,0,0]=4 266 B15R2.2348 NCc1nncn1-c2ccccc2F Amb18190706 [0,1,1,0,0,0|2,0,0]=4 267 B15R2.2348 NCc1nncn1-c2ccccc2O Amb27186635 [0,1,1,0,0,0|2,0,0]=4 268 B15R2.2348 O=Cc1nncn1-c2ccccc2Br Amb27796697 [0,1,1,0,0,0|1,1,0]=4 269 B15R2.2348 OCc1nncn1-c2ccccc2Cl Amb28410231 [0,1,1,0,0,0|1,1,0]=4 270 B15R2.2348 OCc1nncn1-c2ccccc2F Amb27958190 [0,1,1,0,0,0|1,1,0]=4 271 B15R2.7458 CC1=NNC(=S)N1c2ccccc2C Amb19536146 [0,1,1,0,0,0|0,0,2]=4 272 B15R2.7458 Cc1ccccc1N2C(=O)CN=C2S Amb1655433 [0,1,1,0,0,0|1,0,0]=3 273 B15R2.7458 Cc1ccccc1N2C(=O)NN=C2S Amb27419262 [0,1,1,0,0,0|0,0,1]=3 274 B15R2.7458 Cc1cnc(S)n1-c2ccccc2Br Amb27397250 [0,1,1,0,0,0|2,0,0]=4 275 B15R2.7458 Cc1ncccc1-n2c(C)nnc2S Amb27466151 [0,1,1,0,0,0|1,0,0]=3 276 B15R2.7458 Cc1nnc(Cl)n1-c2ccccc2Br Amb27590973 [0,1,1,0,0,0|2,0,0]=4 277 B15R2.7458 Cc1nnc(Cl)n1-c2ccccc2F Amb27175238 [0,1,1,0,0,0|2,0,0]=4 278 B15R2.7458 Cc1nnc(S)n1-c2ccccc2Cl Amb6853753 [0,1,1,0,0,0|1,0,0]=3 279 B15R2.7458 Clc1nnc(Cl)n1-c2ccccc2Br Amb27829018 [0,1,1,0,0,0|2,0,0]=4 280 B15R2.7458 Fc1ccccc1-n2c(S)nnc2Cl Amb27459636 [0,1,1,0,0,0|1,0,0]=3 281 B15R2.7458 Nc1nnc(S)n1-c2ccccc2Br Amb27411615 [0,1,1,0,0,0|1,0,0]=3 282 B15R2.7458 O=C1CN=C(S)N1c2ccccc2Cl Amb2316304 [0,1,1,0,0,0|2,0,0]=4 283 B15R2.7458 O=C1CN=C(S)N1c2ccccc2F Amb2319170 [0,1,1,0,0,0|2,0,0]=4 284 B15R2.7458 O=C1N=NC(=O)N1c2ccccc2Cl Amb26317963 [0,1,1,0,0,0|1,1,0]=4 285 B15R2.7458 Oc1nnc(Cl)n1-c2ccccc2Br Amb27400611 [0,1,1,0,0,0|1,1,0]=4 286 B15R2.7536 Cc1cc(Cl)ccc1-n2ccnc2Br Amb17420007 [0,1,1,0,0,0|2,0,0]=4 287 B15R2.7536 Cc1cc(Cl)ccc1-n2cnnc2Cl Amb27245621 [0,1,1,0,0,0|1,0,0]=3 288 B15R2.7536 Cc1cc(F)ccc1-n2nnnc2S Amb7804386 [0,1,1,0,0,0|1,0,0]=3 289 B15R2.7536 Cc1cc(N)ccc1-n2cncc2C Amb18917145 [0,1,1,0,0,0|2,0,0]=4 290 B15R2.7536 Cc1cc(N)ccc1-n2cnnc2C Amb18917176 [0,1,1,0,0,0|1,0,0]=3 291 B15R2.7536 Cc1cc(N)ccc1-n2nnnc2C Amb9061918 [0,1,1,0,0,0|2,0,0]=4 292 B15R2.7536 Cc1cc(O)ccc1-n2ccnc2C Amb27953735 [0,1,1,0,0,0|2,0,0]=4 293 B15R2.7536 Cc1ccc(-n2ccnc2Br)c(C)c1 Amb17413310 [0,1,1,0,0,0|2,0,0]=4 294 B15R2.7536 Cc1ccc(-n2ccnc2S)c(C)c1 Amb1104898 [0,1,1,0,0,0|1,0,0]=3 295 B15R2.7536 Cc1ccc(-n2cnnc2Cl)c(Br)c1 Amb28041071 [0,1,1,0,0,0|2,0,0]=4 296 B15R2.7536 Cc1ccc(-n2cnnc2Cl)c(C)c1 Amb27951224 [0,1,1,0,0,0|1,0,0]=3 297 B15R2.7536 Cc1ccc(-n2cnnc2S)c(C)c1 Amb2330256 [0,1,1,0,0,0|0,0,0]=2 298 B15R2.7536 Cc1ccc(-n2cnnc2S)c(Cl)c1 Amb7801884 [0,1,1,0,0,0|1,0,0]=3 299 B15R2.7536 Cc1ccc(-n2nnnc2Cl)c(C)c1 Amb23569018 [0,1,1,0,0,0|2,0,0]=4 300 B15R2.7536 Cc1ccc(-n2nnnc2S)c(C)c1 Amb1104381 [0,1,1,0,0,0|1,0,0]=3 301 B15R2.7536 Cc1ccc(-n2nnnc2S)c(F)c1 Amb7804420 [0,1,1,0,0,0|2,0,0]=4 302 B15R2.7536 Cc1nncn1-c2ccc(N)cc2Cl Amb18255165 [0,1,1,0,0,0|2,0,0]=4 303 B15R2.7536 Cc1nncn1-c2ccc(N)cc2F Amb18917218 [0,1,1,0,0,0|2,0,0]=4 304 B15R2.7536 Fc1cc(Br)ccc1-n2cnnc2Cl Amb28040786 [0,1,1,0,0,0|2,0,0]=4 305 B15R2.7536 Fc1cc(Cl)ccc1-n2cnnc2S Amb28288744 [0,1,1,0,0,0|1,0,0]=3 306 B15R2.7536 Fc1cc(I)ccc1-n2ccnc2S Amb35596908 [0,1,1,0,0,0|2,0,0]=4 307 B15R2.7536 Fc1cc(I)ccc1-n2cnnc2S Amb35596909 [0,1,1,0,0,0|1,0,0]=3 308 B15R2.7536 Fc1cc(I)ccc1-n2nnnc2S Amb35597081 [0,1,1,0,0,0|2,0,0]=4 309 B15R2.7536 Fc1ccc(-n2cnnc2Cl)c(Cl)c1 Amb28189805 [0,1,1,0,0,0|2,0,0]=4 310 B15R2.7536 Fc1ccc(-n2nnnc2S)c(I)c1 Amb27241296 [0,1,1,0,0,0|2,0,0]=4 311 B15R2.7536 Sc1nccn1-c2ccc(Br)cc2Br Amb28183181 [0,1,1,0,0,0|2,0,0]=4 312 B15R2.7536 Sc1nncn1-c2ccc(Br)cc2Br Amb28291285 [0,1,1,0,0,0|1,0,0]=3 313 B15R2.7536 Sc1nncn1-c2ccc(Br)cc2Cl Amb6555020 [0,1,1,0,0,0|1,0,0]=3 314 B15R2.7536 Sc1nnnn1-c2ccc(Br)cc2Cl Amb9000641 [0,1,1,0,0,0|2,0,0]=4 315 B15R2.7647 Cc1cccc(Br)c1-n2ccnc2S Amb35717792 [0,1,1,0,0,0|1,0,0]=3 316 B15R2.7647 Cc1cccc(Br)c1-n2cnnc2Cl Amb35717786 [0,1,1,0,0,0|1,0,0]=3 317 B15R2.7647 Cc1cccc(Br)c1-n2cnnc2S Amb35717793 [0,1,1,0,0,0|0,0,0]=2 318 B15R2.7647 Cc1cccc(Br)c1-n2nnnc2N Amb35706817 [0,1,1,0,0,0|2,0,0]=4 319 B15R2.7647 Cc1cccc(Br)c1-n2nnnc2S Amb35717910 [0,1,1,0,0,0|1,0,0]=3 320 B15R2.7647 Cc1cccc(C)c1-n2ccnc2Br Amb17413314 [0,1,1,0,0,0|2,0,0]=4 321 B15R2.7647 Cc1cccc(C)c1-n2cnnc2S Amb7801863 [0,1,1,0,0,0|0,0,0]=2 322 B15R2.7647 Cc1cccc(C)c1-n2nnnc2Cl Amb23569015 [0,1,1,0,0,0|2,0,0]=4 323 B15R2.7647 Cc1cccc(C)c1-n2nnnc2N Amb25724983 [0,1,1,0,0,0|2,0,0]=4 324 B15R2.7647 Cc1cccc(C)c1-n2nnnc2S Amb1657769 [0,1,1,0,0,0|1,0,0]=3 325 B15R2.7647 Cc1cccc(Cl)c1-n2nnnc2S Amb27242977 [0,1,1,0,0,0|1,0,0]=3 326 B15R2.7647 Cc1cccc(F)c1-n2cnnc2S Amb27423049 [0,1,1,0,0,0|0,0,0]=2 327 B15R2.7647 Cc1ccnc(C)c1-n2ccnc2S Amb28456866 [0,1,1,0,0,0|2,0,0]=4 328 B15R2.7647 Fc1cccc(Br)c1-n2cnnc2Cl Amb27457107 [0,1,1,0,0,0|2,0,0]=4 329 B15R2.7647 Fc1cccc(Br)c1-n2cnnc2S Amb27457105 [0,1,1,0,0,0|1,0,0]=3 330 B15R2.7647 Fc1cccc(Br)c1-n2nnnc2S Amb27662952 [0,1,1,0,0,0|2,0,0]=4 331 B15R2.92 Cc1cc(Nc2nncs2)ccc1N Amb30024304 [0,1,1,0,0,0|2,0,0]=4 332 B15R2.92 Cc1cc(Oc2nncs2)ccc1Br Amb27811830 [0,1,1,0,0,0|1,1,0]=4 333 B15R2.92 Cc1cc(Sc2ncns2)ccc1N Amb28068599 [0,1,1,0,0,0|1,0,1]=4 334 B15R2.92 Cc1nc(Sc2nncs2)ccc1Br Amb27458370 [0,1,1,0,0,0|2,0,0]=4 335 B15R2.92 Cc1nc(Sc2nncs2)ccc1N Amb27256765 [0,1,1,0,0,0|2,0,0]=4 336 B15R2.335 Cn1ccnc1Sc2cccc(O)c2 Amb28409196 [0,1,1,0,0,0|2,0,0]=4 337 B15R2.335 Cn1cnnc1Cc2cccc(Br)c2 Amb18228572 [0,1,1,0,0,0|2,0,0]=4 338 B15R2.335 Cn1cnnc1Cc2cccc(F)c2 Amb27447687 [0,1,1,0,0,0|2,0,0]=4 339 B15R2.335 Cn1cnnc1Cc2cccc(N)c2 Amb18863371 [0,1,1,0,0,0|2,0,0]=4 340 B15R2.335 Cn1cnnc1Sc2cccc(F)n2 Amb27800322 [0,1,1,0,0,0|2,0,0]=4 341 B15R2.335 Cn1nnnc1Sc2cccc(N)c2 Amb18950165 [0,1,1,0,0,0|2,0,0]=4 342 B15R2.1109 Cc1cccc(Sc2ncco2)c1N Amb27789008 [0,1,1,0,0,0|2,0,0]=4 343 B15R2.1109 Cc1cccc(Sc2nccs2)c1N Amb27592052 [0,1,1,0,0,0|2,0,0]=4 344 B15R2.1109 Cc1cccc(Sc2nncs2)c1N Amb28454073 [0,1,1,0,0,0|1,0,0]=3 345 B15R2.1109 Cc1ccnc(Sc2nncs2)c1Br Amb28201553 [0,1,1,0,0,0|2,0,0]=4 346 B15R2.1109 Nc1c(Br)cccc1Sc2nncs2 Amb27425766 [0,1,1,0,0,0|2,0,0]=4 347 B15R2.1109 Nc1c(Cl)cccc1Sc2nncs2 Amb27585883 [0,1,1,0,0,0|2,0,0]=4 348 B15R2.1109 Nc1c(F)cccc1Sc2nncs2 Amb18949554 [0,1,1,0,0,0|2,0,0]=4 349 B15R2.1115 Brc1cccc(Sc2nnc(Br)s2)c1 Amb27627324 [0,1,1,0,0,0|2,0,0]=4 350 B15R2.1115 Cc1cccc(CC2=NCC(=O)N2)c1 Amb28349889 [0,1,1,0,0,0|2,0,0]=4 351 B15R2.1115 Cc1cccc(Cc2nnc(Cl)s2)c1 Amb27620045 [0,1,1,0,0,0|2,0,0]=4 352 B15R2.1115 Cc1cccc(Cc2nnc(N)o2)c1 Amb18961273 [0,1,1,0,0,0|2,0,0]=4 353 B15R2.1115 Cc1cccc(Cc2nnc(N)s2)c1 Amb836296 [0,1,1,0,0,0|2,0,0]=4 354 B15R2.1115 Cc1cccc(Cc2nnc(S)s2)c1 Amb25793124 [0,1,1,0,0,0|2,0,0]=4 355 B15R2.1115 Cc1cccc(Nc2nnc(S)s2)c1 Amb1104275 [0,1,1,0,0,0|2,0,0]=4 356 B15R2.1115 Cc1cccc(Sc2ncc(N)s2)c1 Amb28460773 [0,1,1,0,0,0|2,0,0]=4 357 B15R2.1115 Cc1cccc(Sc2nnc(Br)s2)c1 Amb27749385 [0,1,1,0,0,0|1,0,0]=3 358 B15R2.1115 Cc1nnc(Sc2cccc(O)c2)s1 Amb28409195 [0,1,1,0,0,0|2,0,0]=4 359 B15R2.2053 CNc1cccc(Sc2nncs2)n1 Amb27263449 [0,1,1,0,0,0|2,0,0]=4 360 B15R2.2053 NCc1cccc(Nc2nncs2)c1 Amb28320126 [0,1,1,0,0,0|2,0,0]=4 361 B15R2.2053 NCc1cccc(Oc2nncs2)c1 Amb27473124 [0,1,1,0,0,0|1,1,0]=4 362 B15R2.2053 NCc1cccc(Sc2nncs2)n1 Amb27749387 [0,1,1,0,0,0|2,0,0]=4 363 B15R2.6880 Cc1cc(N)cc(Sc2nccs2)c1 Amb27645978 [0,1,1,0,0,0|2,0,0]=4 364 B15R2.6880 Cc1cc(N)cc(Sc2nncs2)c1 Amb27388152 [0,1,1,0,0,0|1,0,0]=3 365 B15R2.6880 Cc1cc(O)cc(Oc2nncs2)c1 Amb28364112 [0,1,1,0,0,0|1,1,0]=4 366 B15R2.7567 Cc1ccc(Br)c(Oc2nncs2)c1 Amb35666547 [0,1,1,0,0,0|1,1,0]=4 367 B15R2.7567 Cc1ccc(N)c(Sc2ncns2)c1 Amb27236678 [0,1,1,0,0,0|1,0,1]=4 368 B15R2.2493 Fc1cccc(CBr)c1-n2ccnc2 Amb27837357 [0,1,1,0,0,0|2,0,0]=4 369 B15R2.2493 NCc1cccc(F)c1-n2ccnc2 Amb18910087 [0,1,1,0,0,0|2,0,0]=4 370 B15R2.4201 Cc1cc(C)c(-n2ccnc2)c(C)c1 Amb24641445 [0,1,1,0,0,0|2,0,0]=4 371 B15R2.4201 Cc1cc(C)c(-n2ccnc2)c(O)c1 Amb28365233 [0,1,1,0,0,0|1,1,0]=4 372 B15R2.4201 Cc1cc(C)c(-n2cnnc2)c(N)c1 Amb18820930 [0,1,1,0,0,0|1,0,0]=3 373 B15R2.4201 Nc1cc(Br)cc(F)c1-n2cnnc2 Amb35736446 [0,1,1,0,0,0|2,0,0]=4 374 B15R2.4201 Nc1cc(F)cc(F)c1-n2cnnc2 Amb27834407 [0,1,1,0,0,0|2,0,0]=4 375 B15R2.15647 Cc1ccc(N)c(-n2cnnc2)c1C Amb15740978 [0,1,1,0,0,0|1,0,0]=3 376 B15R2.15647 Cc1ccc(N)c(C)c1-n2cnnc2 Amb18280396 [0,1,1,0,0,0|1,0,0]=3 377 B15R3.50 Brc1ccc2c(c1)oc3nncn32 Amb27177255 [1,1,0,0,0,0|0,1,0]=3 378 B15R3.50 Brc1ccc2c(c1)sc3nncn32 Amb23440731 [1,1,0,0,0,0|0,0,0]=2 379 B15R3.50 Cc1ccc2c(c1)sc3nncn32 Amb28479891 [1,1,0,0,0,0|0,0,0]=2 380 B15R3.50 Ic1ccc2c(c1)sc3nncn32 Amb32640562 [1,1,0,0,0,0|0,0,0]=2 381 B15R3.50 Nc1ccc2c(c1)SC3=NCCN32 Amb28196363 [1,1,0,0,0,0|1,0,1]=4 382 B15R3.50 Oc1ccc2c(c1)oc3nncn32 Amb26857569 [1,1,0,0,0,0|0,1,0]=3 383 B15R3.50 Oc1ccc2c(c1)sc3nncn32 Amb23440732 [1,1,0,0,0,0|0,0,0]=2 384 B15R3.173 Cn1c2ccccc2n3cnnc13 Amb23580386 [1,1,0,0,0,0|1,0,0]=3 385 B15R3.173 O=C1c2ccccc2-n3cncc31 Amb28324389 [1,1,0,0,0,0|2,0,0]=4 386 B15R3.562 Clc1cccc2c1sc3nccn32 Amb27400619 [1,1,0,0,0,0|1,0,0]=3 387 B15R3.10083 Brc1nnc2oc3ccccc3n12 Amb28188738 [1,1,0,0,0,0|0,1,0]=3 388 B15R3.10083 Brc1nsc2nc3ccccc3n12 Amb27400947 [1,1,0,0,0,0|2,0,0]=4 389 B15R3.10083 Cc1nnc2nc3ccccc3c12 Amb27759417 [1,1,0,0,0,0|2,0,0]=4 390 B15R3.10083 Nc1nnc2sc3ccccc3n12 Amb18190977 [1,1,0,0,0,0|0,0,0]=2 391 B15R3.10083 O=C1NN=C2Sc3ccccc3N12 Amb22497524 [1,1,0,0,0,0|0,0,1]=3 392 B15R3.10083 S=C1NN=C2Nc3ccccc3N12 Amb19748319 [1,1,0,0,0,0|1,0,1]=4 393 B15R3.10083 S=C1NN=C2Oc3ccccc3N12 Amb22080543 [1,1,0,0,0,0|0,1,1]=4 394 B15R3.10083 S=C1NN=C2Sc3ccccc3N12 Amb17987662 [1,1,0,0,0,0|0,0,1]=3 395 B15R3.10083 Sc1nnc2sc3ccccc3n12 Amb6326047 [1,1,0,0,0,0|0,0,0]=2 396 B15R3.10591 Brc1ccc2sc3nncn3c2c1 Amb32640694 [1,1,0,0,0,0|0,0,0]=2 397 B15R3.10591 Cc1ccc2sc3nncn3c2c1 Amb32640714 [1,1,0,0,0,0|0,0,0]=2 398 B15R3.10591 Nc1ccc2c(c1)N3CCN=C3S2 Amb17776563 [1,1,0,0,0,0|1,0,1]=4 399 B15R3.10591 Nc1ccc2sc3nccn3c2c1 Amb27225830 [1,1,0,0,0,0|1,0,0]=3 400 B17R3.102355 Cc1c(Br)cc(C)c2c1sc3nncn32 Amb32641268 [0,2,0,0,0,0|0,0,0]=2 401 B17R3.102355 Cc1cc(Br)c(Cl)c2sc3nncn3c12 Amb32641275 [0,2,0,0,0,0|0,0,0]=2 402 B17R3.102355 Clc1cc(Cl)c2c(sc3nncn32)c1Cl Amb32640590 [0,2,0,0,0,0|1,0,0]=3 403 B17R3.42578 CCOc1cccc2sc3nncn3c12 Amb32640877 [0,2,0,0,0,0|0,0,0]=2 404 B17R3.42578 NCCc1nccc2sc3nccn3c12 Amb18769044 [0,2,0,0,0,0|2,0,0]=4 405 B17R3.89492 CCc1cc(Br)cc2sc3nncn3c12 Amb32640801 [0,2,0,0,0,0|0,0,0]=2 406 B17R3.89492 COc1cc(Br)cc2sc3nncn3c12 Amb32640887 [0,2,0,0,0,0|0,0,0]=2 407 B17R3.477443 CC(C)c1cccc2sc3nncn3c12 Amb32640722 [0,2,0,0,0,0|0,0,0]=2 408 B17R3.914880 Cc1cc(C)c2c(c1)SC3=NNC(=S)N32 Amb20652925 [0,2,0,0,0,0|0,0,1]=3 409 B17R3.81756 Cc1cccc2sc3nc(CN)cn3c12 Amb31127359 [0,2,0,0,0,0|1,0,0]=3 410 B15R3.4166 c1coc(-c2nn3cnnc3s2)c1 Amb6457829 [0,0,1,1,0,0|2,0,0]=4 411 B15R3.1739 c1ccc-2c(c1)NCc3nncn32 Amb27250048 [0,0,1,1,0,0|2,0,0]=4 412 B15R3.1739 c1ccc2c(c1)ccc3nncn32 Amb1044433 [0,0,1,1,0,0|1,0,1]=4 413 B15R3.1739 c1ccc2c(c1)ncc3nncn32 Amb20461135 [0,0,1,1,0,0|2,0,0]=4 414 B15R3.1712 c1csc(-c2csc3nccn23)c1 Amb27795013 [0,0,1,1,0,0|2,0,0]=4 415 B13R2.181 Cc1cscc1-n2cnnc2S Amb27780881 [0,0,1,0,1,0|1,0,0]=3 416 B13R2.181 Sc1nncn1-c2ccsc2Cl Amb27860576 [0,0,1,0,1,0|2,0,0]=4 417 B13R2.13 Brc1cccc(-c2nnco2)c1 Amb1157199 [0,0,1,0,1,0|2,0,0]=4 418 B13R2.13 Cc1cccc(-c2ccno2)c1 Amb28399459 [0,0,1,0,1,0|2,0,0]=4 419 B13R2.13 Cc1cccc(-c2ccon2)c1 Amb27222119 [0,0,1,0,1,0|2,0,0]=4 420 B13R2.13 Cc1cccc(-c2cnco2)c1 Amb23402862 [0,0,1,0,1,0|2,0,0]=4 421 B13R2.13 Cc1cccc(-c2ncco2)c1 Amb17400050 [0,0,1,0,1,0|2,0,0]=4 422 B13R2.13 Cc1cccc(-c2nccs2)c1 Amb13884051 [0,0,1,0,1,0|2,0,0]=4 423 B13R2.13 Cc1cccc(-c2nnco2)c1 Amb26935014 [0,0,1,0,1,0|1,0,0]=3 424 B13R2.13 Cc1cccc(-c2nncs2)c1 Amb27832598 [0,0,1,0,1,0|1,0,0]=3 425 B13R2.13 Cc1cccc(C2=NCCN2)c1 Amb6892245 [0,0,1,0,1,0|1,0,1]=4 426 B13R2.13 Clc1cccc(-c2nnco2)c1 Amb5795063 [0,0,1,0,1,0|2,0,0]=4 427 B13R2.13 Clc1cccc(-c2nncs2)c1 Amb28348506 [0,0,1,0,1,0|2,0,0]=4 428 B13R2.13 Fc1cccc(-c2nnco2)c1 Amb21967655 [0,0,1,0,1,0|2,0,0]=4 429 B13R2.13 Nc1cccc(-c2nnco2)c1 Amb2371977 [0,0,1,0,1,0|2,0,0]=4 430 B13R2.13 Nc1cccc(-c2nncs2)c1 Amb28396580 [0,0,1,0,1,0|2,0,0]=4 431 B13R2.13 Oc1cccc(-c2nnco2)c1 Amb1157196 [0,0,1,0,1,0|2,0,0]=4 432 B15R2.332 Cc1ccccc1N2C=NNC(=O)C2 Amb2209243 [0,0,1,0,0,1|0,1,1]=4 433 B15R2.359 Cc1ccccc1Cn2ccnc2Br Amb17413305 [0,0,1,0,0,1|2,0,0]=4 434 B15R2.359 Cc1ccccc1Cn2ccnc2C Amb17234311 [0,0,1,0,0,1|2,0,0]=4 435 B15R2.359 Cc1ccccc1Cn2ccnc2N Amb18950025 [0,0,1,0,0,1|2,0,0]=4 436 B15R2.359 Cc1ccccc1Cn2nnnc2Br Amb17263180 [0,0,1,0,0,1|2,0,0]=4 437 B15R2.359 Cc1ccncc1Cn2nnnc2S Amb27196362 [0,0,1,0,0,1|2,0,0]=4 438 B15R2.359 Cc1cnccc1Cn2ccnc2S Amb27238118 [0,0,1,0,0,1|2,0,0]=4 439 B15R2.359 Cc1cnccc1Cn2nnnc2S Amb27666353 [0,0,1,0,0,1|2,0,0]=4 440 B15R2.359 Cc1nccnc1Cn2cnnc2S Amb35667188 [0,0,1,0,0,1|2,0,0]=4 441 B15R2.359 Clc1ccccc1Cn2cnnc2Cl Amb27785382 [0,0,1,0,0,1|2,0,0]=4 442 B15R2.359 Fc1ccccc1Cn2cnnc2Cl Amb27391947 [0,0,1,0,0,1|2,0,0]=4 443 B15R2.359 Nc1nncn1Cc2ccccc2Cl Amb27960312 [0,0,1,0,0,1|2,0,0]=4 444 B15R2.359 Sc1nccn1Cc2ccccc2Br Amb25884193 [0,0,1,0,0,1|2,0,0]=4 445 B15R2.359 Sc1nccn1Cc2ccccc2Cl Amb7801246 [0,0,1,0,0,1|2,0,0]=4 446 B15R2.359 Sc1nncn1Cc2ccccc2Br Amb24368571 [0,0,1,0,0,1|1,0,0]=3 447 B15R2.359 Sc1nnnn1Cc2ccccc2Br Amb27480615 [0,0,1,0,0,1|2,0,0]=4 448 B15R2.359 Sc1nnnn1Cc2ccccc2Cl Amb7804329 [0,0,1,0,0,1|2,0,0]=4 449 B15R2.555 Cc1ccccc1-c2ccnnc2N Amb32641890 [0,0,1,0,0,1|2,0,0]=4 450 B15R2.31 Cc1cccc(Nc2nccnn2)c1 Amb27864081 [0,0,1,0,0,1|1,0,1]=4 451 B15R2.31 Cc1cccc(Sc2ccncc2)c1 Amb27977858 [0,0,1,0,0,1|2,0,0]=4 452 B15R2.31 Cc1cccc(Sc2ncccn2)c1 Amb27756466 [0,0,1,0,0,1|1,0,1]=4 453 B15R2.31 Nc1cccc(Sc2cccnn2)c1 Amb28396757 [0,0,1,0,0,1|2,0,0]=4 454 B15R2.1117 Cc1cccc(CSC2=NCCN2)c1 Amb1283641 [0,0,1,0,0,1|1,0,1]=4 455 B15R2.1117 Cc1cccc(CSC2=NCCN2)c1 Amb17760662 [0,0,1,0,0,1|1,0,1]=4 456 B15R2.1117 Cc1cccc(SCC2=NCCN2)c1 Amb27968330 [0,0,1,0,0,1|1,0,1]=4 457 B15R3.3 C1=NSNc2nc3ccccc3n21 Amb26360413 [1,0,0,0,0,1|1,0,1]=4 458 B15R3.3 c1ccc-2c(c1)Cc3nnccc32 Amb27641472 [1,0,0,0,0,1|2,0,0]=4 459 B15R3.3 c1ccc2c(c1)cc3ncccn32 Amb27803813 [1,0,0,0,0,1|2,0,0]=4 460 B15R3.3 c1ccc2c(c1)nc3ccncn32 Amb28060972 [1,0,0,0,0,1|2,0,0]=4 461 B15R3.3 c1ccc2c(c1)nc3cncnn32 Amb24432654 [1,0,0,0,0,1|2,0,0]=4 462 B15R3.3 c1ccc2c(c1)nc3cnncn32 Amb25793448 [1,0,0,0,0,1|1,0,0]=3 463 B15R3.3 c1ccc2c(c1)nc3nccnn32 Amb27403938 [1,0,0,0,0,1|2,0,0]=4 464 B15R3.3 c1ccc2c(c1)nc3nnccn32 Amb24647658 [1,0,0,0,0,1|1,0,0]=3 465 B15R3.4266 c1ccc2c(c1)Nc3cnsc3S2 Amb27268520 [1,0,0,0,0,1|2,0,0]=4 466 B15R3.4266 c1ccc2cn3nnnc3cc2c1 Amb27231476 [1,0,0,0,0,1|2,0,0]=4