0 B16R2.26893 CCN(CC)c1cc(cn2c1ncn2)C 27a_100000724800_100009817174 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.26893 CCN(CC)c1cc(cn2c1ncn2)Cl 27a_100000724800_100011099881 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.26893 CCN(CC)c1cc(cn2c1nnn2)C 27a_100000724800_200010872638 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.26893 CCN(CC)c1cc(nc2c1[nH]nc2)C 27a_100000724800_100000087595 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.26893 CCN(CC)c1cc(nc2n1ncn2)C 27a_100000724800_100000195393 [0,0,0,0,0,0|0,0,0]=0 5 B16R2.26893 CCN(CC)c1nc(nc2c1[nH]cn2)N 27a_100000724800_100000764887 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.26893 CCN(CC)c1nc(nc2c1cc[nH]2)C 27a_100000724800_100000092993 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.26893 CCN(CC)c1nc(nc2c1ccs2)C 27a_100000724800_100000183124 [0,0,0,0,0,0|4,0,0]=4 8 B16R2.26893 CCN(CC)c1nc(nc2c1nc[nH]2)F 27a_100000724800_100000061921 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.26893 CCN(CC)c1nc(nc2c1scc2)C 27a_100000724800_100012000418 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.15972 CCN(CC)c1cccc2c1non2 27a_100000724800_100009820244 [1,0,0,0,0,0|3,0,0]=4 11 B15R2.15972 CCN(CC)c1cccc2c1nsn2 27a_100000724800_100000742359 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.15972 CCN(CC)c1cccc2n1cnn2 27a_100000724800_100009819885 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.15972 CCN(CC)c1cccc2n1ncn2 27a_100000724800_100009819724 [1,0,0,0,0,0|1,0,0]=2 14 B15R2.15972 CCN(CC)c1cccn2c1ncn2 27a_100000724800_100009819722 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.15972 CCN(CC)c1ccnc2c1ccs2 27a_100000724800_100009861243 [1,0,0,0,0,0|3,0,0]=4 16 B15R2.15972 CCN(CC)c1ccnc2c1nc[nH]2 27a_100000724800_100009820729 [1,0,0,0,0,0|1,0,1]=3 17 B15R2.15972 CCN(CC)c1ccnc2c1nn[nH]2 27a_100000724800_100009853804 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.15972 CCN(CC)c1ccnc2c1scc2 27a_100000724800_100000764135 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.15972 CCN(CC)c1ccnc2n1ncc2 27a_100000724800_100000080991 [1,0,0,0,0,0|1,0,0]=2 20 B15R2.15972 CCN(CC)c1cncc2n1ccn2 27a_100000724800_100009818520 [1,0,0,0,0,0|3,0,0]=4 21 B15R2.15972 CCN(CC)c1ncnc2c1[nH]cn2 27a_100000724800_100011215200 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.15972 CCN(CC)c1ncnc2c1ncs2 27a_100000724800_100009860286 [1,0,0,0,0,0|3,0,0]=4 23 B17R2.21794 C#CCN(CC)c1cc(nc2n1ncn2)C 27a_100000744766_100000195393 [0,1,0,0,0,0|0,0,1]=2 24 B17R2.21794 CCCN(CC)c1cc(cn2c1ncn2)C 27a_100000226822_100009817174 [0,1,0,0,0,0|3,0,0]=4 25 B17R2.21794 CCCN(CC)c1cc(nc2n1ncn2)C 27a_100000226822_100000195393 [0,1,0,0,0,0|0,0,0]=1 26 B17R2.21794 CCN(CCO)c1cc(cn2c1ncn2)C 27a_100000210973_100009817174 [0,1,0,0,0,0|3,0,0]=4 27 B17R2.21794 CCN(CCO)c1cc(nc2n1ncn2)C 27a_100000210973_100000195393 [0,1,0,0,0,0|0,0,0]=1 28 B17R2.64392 CCN(CC)c1nc(nc2n1ncc2)SC 27a_100000724800_100010188542 [0,1,0,0,0,0|2,0,0]=3 29 B17R2.284177 CCN(CC)c1cc(nc2n1nc(c2)C)C 27a_100000724800_100011929195 [0,1,0,0,0,0|1,0,0]=2 30 B17R2.455310 CCN(c1cc(cn2c1ncn2)C)C(C)C 27a_100000223864_100009817174 [0,1,0,0,0,0|3,0,0]=4 31 B17R2.455310 CCN(c1cc(nc2n1ncn2)C)C(C)C 27a_100000223864_100000195393 [0,1,0,0,0,0|0,0,0]=1 32 B17R3.104 Cc1cc(c2ncnn2c1)N3CCCC3 27a_100000188435_100009817174 [0,0,0,1,0,0|3,0,0]=4 33 B17R3.104 Cc1cc(n2ncnc2n1)C3=CCCC3 271570a_100000089523_100000195393 [0,0,0,1,0,0|1,0,1]=3 34 B17R3.104 Cc1cc(n2ncnc2n1)C3=CCOC3 271570a_100009872500_100000195393 [0,0,0,1,0,0|2,0,1]=4 35 B17R3.104 Cc1cc(n2ncnc2n1)C3=COCC3 271570a_100000118173_100000195393 [0,0,0,1,0,0|2,0,1]=4 36 B17R3.104 Cc1cc(n2ncnc2n1)N3CC=CC3 27a_100015195280_100000195393 [0,0,0,1,0,0|0,0,2]=3 37 B17R3.104 Cc1cc(n2ncnc2n1)N3CCCC3 27a_100000188435_100000195393 [0,0,0,1,0,0|0,0,0]=1 38 B17R3.104 Cc1cc(n2ncnc2n1)N3CCSC3 27a_100011215254_100000195393 [0,0,0,1,0,0|1,0,0]=2 39 B17R3.406466 Cc1cc(c2ncnn2c1)N3CCC3C 27a_100000755817_100009817174 [0,0,0,1,0,0|3,0,0]=4 40 B17R3.406466 Cc1cc(n2ncnc2n1)N3CCC3C 27a_100000755817_100000195393 [0,0,0,1,0,0|0,0,0]=1 41 B17R2.44075 CCN(CC)c1cc(cc2c1nccn2)F 27a_100000724800_100011083936 [0,0,0,0,0,1|3,0,0]=4 42 B17R2.44075 CCN(CC)c1cc(nc2c1cccc2)C 27a_100000724800_100000735862 [0,0,0,0,0,1|3,0,0]=4 43 B17R2.44075 CCN(CC)c1cc(nc2c1cccn2)C 27a_100000724800_100009885123 [0,0,0,0,0,1|2,0,0]=3 44 B17R2.314573 CCC(CC)Nc1cc(nc2n1ncn2)C 27a_100000199018_100000195393 [0,0,0,0,0,1|1,0,0]=2 45 B17R2.314573 CCC(CC)Sc1cc(nc2n1ncn2)C 62a_100000195393_100000210505 [0,0,0,0,0,1|1,0,0]=2 46 B17R2.314573 CCC(CC)Sc1cc(nc2n1ncn2)C 62a_100000210505_100000195393 [0,0,0,0,0,1|1,0,0]=2 47 B17R2.314573 CC[C@@H](CO)Nc1cc(nc2n1ncn2)C 27a_100000709445_100000195393 [0,0,0,0,0,1|2,0,0]=3 48 B17R2.314573 Cc1cc(n2ncnc2n1)NC(CO)CO 27a_100000759517_100000195393 [0,0,0,0,0,1|3,0,0]=4 49 B14R2.628 C=C(C)c1cc(nc2n1ncn2)C 271570a_100000694244_100000195393 [2,0,0,0,0,0|1,0,1]=4 50 B14R2.628 Cc1cc(n2ncnc2n1)N(C)C 27a_100102631434_100000195393 [2,0,0,0,0,0|0,0,0]=2 51 B14R2.3104 CC=Cc1cc(nc2n1ncn2)C 271570a_100016259895_100000195393 [2,0,0,0,0,0|1,0,1]=4 52 B14R2.3104 CCNc1cc(nc2n1ncn2)C 27a_100015525214_100000195393 [2,0,0,0,0,0|0,0,0]=2 53 B14R2.3104 CCSc1cc(nc2n1ncn2)C 62a_100000195393_100000210202 [2,0,0,0,0,0|1,0,0]=3 54 B14R2.3104 CCSc1cc(nc2n1ncn2)C 62a_100000210202_100000195393 [2,0,0,0,0,0|1,0,0]=3 55 B14R2.3104 Cc1cc(n2ncnc2n1)SCF 62a_100000195393_100015361967 [2,0,0,0,0,0|2,0,0]=4 56 B14R2.3104 Cc1cc(n2ncnc2n1)SCF 62a_100015361967_100000195393 [2,0,0,0,0,0|2,0,0]=4 57 B16R2.13092 C#CCN(CC)c1cccc2n1ncn2 27a_100000744766_100009819724 [1,1,0,0,0,0|1,0,1]=4 58 B16R2.13092 C#CCN(CC)c1ccnc2n1ncc2 27a_100000744766_100000080991 [1,1,0,0,0,0|1,0,1]=4 59 B16R2.13092 CCCN(CC)c1cccc2n1ncn2 27a_100000226822_100009819724 [1,1,0,0,0,0|1,0,0]=3 60 B16R2.13092 CCCN(CC)c1ccnc2c1nc[nH]2 27a_100000226822_100009820729 [1,1,0,0,0,0|1,0,1]=4 61 B16R2.13092 CCCN(CC)c1ccnc2n1ncc2 27a_100000226822_100000080991 [1,1,0,0,0,0|1,0,0]=3 62 B16R2.13092 CCN(CCO)c1cccc2n1ncn2 27a_100000210973_100009819724 [1,1,0,0,0,0|1,0,0]=3 63 B16R2.13092 CCN(CCO)c1ccnc2c1nc[nH]2 27a_100000210973_100009820729 [1,1,0,0,0,0|1,0,1]=4 64 B16R2.13092 CCN(CCO)c1ccnc2n1ncc2 27a_100000210973_100000080991 [1,1,0,0,0,0|1,0,0]=3 65 B16R2.56546 CCN(c1cccc2n1ncn2)C(C)C 27a_100000223864_100009819724 [1,1,0,0,0,0|1,0,0]=3 66 B16R2.56546 CCN(c1ccnc2c1nc[nH]2)C(C)C 27a_100000223864_100009820729 [1,1,0,0,0,0|1,0,1]=4 67 B16R2.56546 CCN(c1ccnc2n1ncc2)C(C)C 27a_100000223864_100000080991 [1,1,0,0,0,0|1,0,0]=3 68 B16R2.23264 CC(=C(C)c1cc(nc2n1ncn2)C)C 271570a_200000049429_100000195393 [1,1,0,0,0,0|1,0,1]=4 69 B16R2.23264 Cc1cc(n2ncnc2n1)N(C)C(C)C 27a_200000211004_100000195393 [1,1,0,0,0,0|0,0,0]=2 70 B16R2.29777 C#CCN(C)c1cc(nc2n1ncn2)C 27a_100000225692_100000195393 [1,1,0,0,0,0|0,0,1]=3 71 B16R2.29777 CCCN(C)c1cc(nc2n1ncn2)C 27a_100000747261_100000195393 [1,1,0,0,0,0|0,0,0]=2 72 B16R2.29777 Cc1cc(n2ncnc2n1)N(C)CCO 27a_100000210263_100000195393 [1,1,0,0,0,0|0,0,0]=2 73 B18R2.35005 CCCN(CC)c1cc(nc2c1cccn2)C 27a_100000226822_100009885123 [0,1,0,0,0,1|2,0,0]=4 74 B18R2.35005 CCN(CCO)c1cc(nc2c1cccn2)C 27a_100000210973_100009885123 [0,1,0,0,0,1|2,0,0]=4 75 B18R2.919043 CCN(c1cc(nc2c1cccn2)C)C(C)C 27a_100000223864_100009885123 [0,1,0,0,0,1|2,0,0]=4 76 B18R2.180745 CCC(CC)N(C)c1cc(nc2n1ncn2)C 27a_100000737045_100000195393 [0,1,0,0,0,1|1,0,0]=3 77 B18R2.610009 CCC(Nc1cc(nc2n1ncn2)C)C(C)C 27a_100000745074_100000195393 [0,1,0,0,0,1|1,0,0]=3 78 B18R2.610009 CC[C@H](Nc1cc(nc2n1ncn2)C)[C@@H](C)O 27a_100161114882_100000195393 [0,1,0,0,0,1|1,0,0]=3 79 B18R2.610009 Cc1cc(n2ncnc2n1)N[C@@H](CO)C(C)C 27a_100011830312_100000195393 [0,1,0,0,0,1|2,0,0]=4 80 B18R2.610009 Cc1cc(n2ncnc2n1)N[C@H](CO)[C@@H](C)O 27a_100015196842_100000195393 [0,1,0,0,0,1|2,0,0]=4 81 B18R2.898410 CCC(COC)Nc1cc(nc2n1ncn2)C 27a_100000757820_100000195393 [0,1,0,0,0,1|1,0,0]=3 82 B18R2.898410 CCCC(CC)Nc1cc(nc2n1ncn2)C 27a_100000747048_100000195393 [0,1,0,0,0,1|1,0,0]=3 83 B18R2.898410 CCCC(CC)Sc1cc(nc2n1ncn2)C 62a_100000195393_100011219200 [0,1,0,0,0,1|1,0,0]=3 84 B18R2.898410 CCCC(CC)Sc1cc(nc2n1ncn2)C 62a_100011219200_100000195393 [0,1,0,0,0,1|1,0,0]=3 85 B18R2.898410 CCC[C@@H](CO)Nc1cc(nc2n1ncn2)C 27a_100000732646_100000195393 [0,1,0,0,0,1|2,0,0]=4 86 B18R2.898410 CC[C@H](CC#N)Nc1cc(nc2n1ncn2)C 27a_200009818565_100000195393 [0,1,0,0,0,1|1,0,1]=4 87 B18R2.898410 COCC(CO)Nc1cc(nc2n1ncn2)C 27a_100000724102_100000195393 [0,1,0,0,0,1|2,0,0]=4 88 B18R2.1352988 CCC(CC)Nc1cc(nc2n1nc(c2)C)C 27a_100000199018_100011929195 [0,1,0,0,0,1|2,0,0]=4 89 B18R2.1352988 CCC(CC)Sc1cc(nc2n1nc(c2)C)C 62a_100000210505_100011929195 [0,1,0,0,0,1|2,0,0]=4 90 B18R2.2560628 CCC(C)(CC)Sc1cc(nc2n1ncn2)C 62a_100000195393_100009817345 [0,1,0,0,0,1|1,0,0]=3 91 B18R2.2560628 CCC(C)(CC)Sc1cc(nc2n1ncn2)C 62a_100009817345_100000195393 [0,1,0,0,0,1|1,0,0]=3 92 B18R2.2560628 CCC(C)(CO)Nc1cc(nc2n1ncn2)C 27a_100000747662_100000195393 [0,1,0,0,0,1|2,0,0]=4 93 B18R2.133299 CCCCN(CC)c1cc(nc2n1ncn2)C 27a_100000207695_100000195393 [0,2,0,0,0,0|0,0,0]=2 94 B18R2.133299 CCN(CCC#N)c1cc(nc2n1ncn2)C 27a_100000226048_100000195393 [0,2,0,0,0,0|0,0,0]=2 95 B18R2.133299 CCN(CCOC)c1cc(nc2n1ncn2)C 27a_100000731262_100000195393 [0,2,0,0,0,0|0,0,0]=2 96 B18R2.300460 C#CCN(CC)c1cc(nc2n1nc(c2)C)C 27a_100000744766_100011929195 [0,2,0,0,0,0|1,0,1]=4 97 B18R2.300460 CCCN(CC)c1cc(nc2n1nc(c2)C)C 27a_100000226822_100011929195 [0,2,0,0,0,0|1,0,0]=3 98 B18R2.300460 CCN(CCO)c1cc(nc2n1nc(c2)C)C 27a_100000210973_100011929195 [0,2,0,0,0,0|1,0,0]=3 99 B18R2.300478 CCCN(CC)c1nc(nc2n1ncc2)SC 27a_100000226822_100010188542 [0,2,0,0,0,0|2,0,0]=4 100 B18R2.300478 CCN(CCO)c1nc(nc2n1ncc2)SC 27a_100000210973_100010188542 [0,2,0,0,0,0|2,0,0]=4 101 B18R2.600933 C#CCN(CC=C)c1cc(nc2n1ncn2)C 27a_100000731024_100000195393 [0,2,0,0,0,0|0,0,2]=4 102 B18R2.600933 C=CCN(CC=C)c1cc(nc2n1ncn2)C 27a_100000210471_100000195393 [0,2,0,0,0,0|0,0,2]=4 103 B18R2.600933 CCCN(CCC)c1cc(nc2n1ncn2)C 27a_100000210455_100000195393 [0,2,0,0,0,0|0,0,0]=2 104 B18R2.600933 CCCN(CCO)c1cc(nc2n1ncn2)C 27a_100000211420_100000195393 [0,2,0,0,0,0|0,0,0]=2 105 B18R2.600933 Cc1cc(n2ncnc2n1)N(CCO)CCO 27a_100000210587_100000195393 [0,2,0,0,0,0|0,0,0]=2 106 B18R2.604470 C=CCN(c1cc(nc2n1ncn2)C)C(C)C 27a_100000742772_100000195393 [0,2,0,0,0,0|0,0,1]=3 107 B18R2.604470 CCCN(c1cc(nc2n1ncn2)C)C(C)C 27a_106256033942_100000195393 [0,2,0,0,0,0|0,0,0]=2 108 B18R2.604470 Cc1cc(n2ncnc2n1)N(CCO)C(C)C 27a_100000224655_100000195393 [0,2,0,0,0,0|0,0,0]=2 109 B18R2.698079 CCC(C)N(CC)c1cc(nc2n1ncn2)C 27a_100000732650_100000195393 [0,2,0,0,0,0|0,0,0]=2 110 B18R2.698079 CCN(c1cc(nc2n1ncn2)C)C(C)CO 27a_100000731049_100000195393 [0,2,0,0,0,0|0,0,0]=2 111 B18R2.916816 C=C(C)CN(CC)c1cc(nc2n1ncn2)C 27a_100000211296_100000195393 [0,2,0,0,0,0|0,0,0]=2 112 B18R2.916816 CCN(CC(C)C)c1cc(nc2n1ncn2)C 27a_100000738554_100000195393 [0,2,0,0,0,0|0,0,0]=2 113 B18R2.916816 CCN(C[C@H](C)O)c1cc(nc2n1ncn2)C 27a_100000729506_100000195393 [0,2,0,0,0,0|0,0,0]=2 114 B18R2.670 CCN(c1nc(nc2n1ncc2)SC)C(C)C 27a_100000223864_100010188542 [0,2,0,0,0,0|2,0,0]=4 115 B18R2.919045 CCN(c1cc(nc2n1nc(c2)C)C)C(C)C 27a_100000223864_100011929195 [0,2,0,0,0,0|1,0,0]=3 116 B18R2.859006 CCN(CC)c1cc(nc2n1ncc2C#N)C 27a_100000724800_100012001930 [0,2,0,0,0,0|1,0,0]=3 117 B16R3.270 CC1CCN1c2cccc3n2ncn3 27a_100000755817_100009819724 [1,0,0,1,0,0|1,0,0]=3 118 B16R3.270 CC1CCN1c2ccnc3c2nc[nH]3 27a_100000755817_100009820729 [1,0,0,1,0,0|1,0,1]=4 119 B16R3.270 CC1CCN1c2ccnc3n2ncc3 27a_100000755817_100000080991 [1,0,0,1,0,0|1,0,0]=3 120 B16R3.5924 c1cc(c2nc[nH]c2n1)N3CCCC3 27a_100000188435_100009820729 [1,0,0,1,0,0|1,0,1]=4 121 B16R3.5924 c1cc(n2nccc2n1)N3CCCC3 27a_100000188435_100000080991 [1,0,0,1,0,0|1,0,0]=3 122 B16R3.5924 c1cc(n2nccc2n1)N3CCSC3 27a_100011215254_100000080991 [1,0,0,1,0,0|2,0,0]=4 123 B16R3.5924 c1cc(n2ncnc2c1)N3CCCC3 27a_100000188435_100009819724 [1,0,0,1,0,0|1,0,0]=3 124 B16R3.5924 c1cc(n2ncnc2c1)N3CCSC3 27a_100011215254_100009819724 [1,0,0,1,0,0|2,0,0]=4 125 B16R3.3477 Cc1cc(n2ncnc2n1)N3CCC3 27a_100000754969_100000195393 [1,0,0,1,0,0|0,0,0]=2 126 B18R3.178 Cc1cc(c2cccnc2n1)N3CCCC3 27a_100000188435_100009885123 [0,0,0,1,0,1|2,0,0]=4 127 B18R3.107551 Cc1cc(c2cccnc2n1)N3CCC3C 27a_100000755817_100009885123 [0,0,0,1,0,1|2,0,0]=4 128 B18R3.6125 Cc1cc(n2ncnc2n1)C=C3CCCC3 271570a_100010378317_100000195393 [0,0,0,1,0,1|1,0,0]=3 129 B18R3.6125 Cc1cc(n2ncnc2n1)NC3CCCC3 27a_100000211070_100000195393 [0,0,0,1,0,1|1,0,0]=3 130 B18R3.6125 Cc1cc(n2ncnc2n1)N[C@@H]3CCOC3 27a_200015188469_100000195393 [0,0,0,1,0,1|2,0,0]=4 131 B18R3.6125 Cc1cc(n2ncnc2n1)N[C@H]3CCOC3 27a_100015188467_100000195393 [0,0,0,1,0,1|2,0,0]=4 132 B18R3.6125 Cc1cc(n2ncnc2n1)SC3CCCC3 62a_100000195393_100000179811 [0,0,0,1,0,1|1,0,0]=3 133 B18R3.6125 Cc1cc(n2ncnc2n1)SC3CCCC3 62a_100011217020_100000195393 [0,0,0,1,0,1|1,0,0]=3 134 B18R3.6125 Cc1cc(n2ncnc2n1)SC3CCOC3 62a_100000195393_100000690089 [0,0,0,1,0,1|2,0,0]=4 135 B18R3.3048551 CCC1(CC1)Nc2cc(nc3n2ncn3)C 27a_100000732774_100000195393 [0,0,0,1,0,1|1,0,0]=3 136 B18R3.3048551 Cc1cc(n2ncnc2n1)NC3(CC3)CF 27a_100000054953_100000195393 [0,0,0,1,0,1|2,0,0]=4 137 B18R3.3048551 Cc1cc(n2ncnc2n1)NC3(CC3)CO 27a_100000692850_100000195393 [0,0,0,1,0,1|2,0,0]=4 138 B18R3.174 Cc1cc(n2ncnc2n1)C3=CCCCC3 271570a_100000062251_100000195393 [0,1,0,1,0,0|1,0,0]=3 139 B18R3.174 Cc1cc(n2ncnc2n1)C3=CCCCO3 271570a_100010177797_100000195393 [0,1,0,1,0,0|1,0,1]=4 140 B18R3.174 Cc1cc(n2ncnc2n1)C3=CCNCC3 271570a_100000731432_100000195393 [0,1,0,1,0,0|1,0,1]=4 141 B18R3.174 Cc1cc(n2ncnc2n1)C3=CCOCC3 271570a_100000070234_100000195393 [0,1,0,1,0,0|1,0,1]=4 142 B18R3.174 Cc1cc(n2ncnc2n1)C3=CCSCC3 271570a_100010232141_100000195393 [0,1,0,1,0,0|1,0,1]=4 143 B18R3.174 Cc1cc(n2ncnc2n1)C3=COCCC3 271570a_100010175576_100000195393 [0,1,0,1,0,0|1,0,1]=4 144 B18R3.174 Cc1cc(n2ncnc2n1)N3CC=CCC3 27a_100000698166_100000195393 [0,1,0,1,0,0|0,0,1]=3 145 B18R3.174 Cc1cc(n2ncnc2n1)N3CCOCC3 27a_100015191051_100000195393 [0,1,0,1,0,0|0,0,0]=2 146 B18R3.174 Cc1cc(n2ncnc2n1)N3CCSCC3 27a_100000737611_100000195393 [0,1,0,1,0,0|0,0,0]=2 147 B18R3.92035 Cc1cc(n2ncnc2n1)N3C[C@@H]([C@@H]3C)O 27a_206633788156_100000195393 [0,1,0,1,0,0|0,0,0]=2 148 B18R3.394747 Cc1cc(n2ncnc2n1)N3CCC(C3)O 27a_100011215560_100000195393 [0,1,0,1,0,0|0,0,0]=2 149 B18R3.394747 Cc1cc(n2ncnc2n1)N3CC[C@@H](C3)F 27a_100015203821_100000195393 [0,1,0,1,0,0|0,0,0]=2 150 B18R3.394747 Cc1cc(n2ncnc2n1)N3CC[C@H](C3)C 27a_100016987628_100000195393 [0,1,0,1,0,0|0,0,0]=2 151 B18R3.394747 Cc1cc(n2ncnc2n1)N3CNC(=O)C3 27a_200000708111_100000195393 [0,1,0,1,0,0|1,0,1]=4 152 B18R3.490170 Cc1cc(n2ncnc2n1)N3CCC[C@@H]3C 27a_100020605311_100000195393 [0,1,0,1,0,0|0,0,0]=2 153 B18R3.490170 Cc1cc(n2ncnc2n1)N3CCC[C@H]3C 27a_100015189458_100000195393 [0,1,0,1,0,0|0,0,0]=2 154 B18R3.490170 Cc1cc(n2ncnc2n1)N3CCSC3C 27a_200011216479_100000195393 [0,1,0,1,0,0|0,0,0]=2 155 B18R3.2954611 CCN(c1cc(nc2n1ncn2)C)C3CC3 27a_100000738653_100000195393 [0,1,0,1,0,0|0,0,0]=2 156 B18R3.305 CSc1nc(n2nccc2n1)N3CCCC3 27a_100000188435_100010188542 [0,1,0,1,0,0|2,0,0]=4 157 B18R3.409 CSc1nc(n2nccc2n1)N3CCC3C 27a_100000755817_100010188542 [0,1,0,1,0,0|2,0,0]=4 158 B18R3.6936 Cc1cc(n2nc(cc2n1)C)N3CCCC3 27a_100000188435_100011929195 [0,1,0,1,0,0|1,0,0]=3 159 B18R3.6936 Cc1cc(n2nc(cc2n1)C)N3CCSC3 27a_100011215254_100011929195 [0,1,0,1,0,0|2,0,0]=4 160 B18R3.943487 Cc1cc(n2nc(cc2n1)C)N3CCC3C 27a_100000755817_100011929195 [0,1,0,1,0,0|1,0,0]=3 161 B16R2.26671 CCC(CC)Nc1cccc2n1ncn2 27a_100000199018_100009819724 [1,0,0,0,0,1|2,0,0]=4 162 B16R2.26671 CCC(CC)Nc1ccnc2n1ncc2 27a_100000199018_100000080991 [1,0,0,0,0,1|2,0,0]=4 163 B16R2.26671 CCC(CC)Sc1cccc2n1ncn2 62a_100000210505_100009819724 [1,0,0,0,0,1|2,0,0]=4 164 B16R2.26671 CCC(CC)Sc1ccnc2n1ncc2 62a_100000210505_100000080991 [1,0,0,0,0,1|2,0,0]=4 165 B16R2.26671 CCN(CC)Cc1cccc2n1ccn2 2230a_100000724800_200020640960 [1,0,0,0,0,1|2,0,0]=4 166 B16R2.26671 CCN(CC)Cc1cccc2n1ccn2 269956a_100000042499_200020640960 [1,0,0,0,0,1|2,0,0]=4 167 B16R2.26671 CCN(CC)Cc1cccc2n1ccn2 269982a_100000724800_200020640960 [1,0,0,0,0,1|2,0,0]=4 168 B16R2.26671 CCN(CC)Cc1cccc2n1ccn2 270004a_100000724800_100000099972 [1,0,0,0,0,1|2,0,0]=4 169 B16R2.26671 CCN(CC)Cc1cccc2n1ncc2 270004a_100000724800_100000047034 [1,0,0,0,0,1|2,0,0]=4 170 B16R2.26671 CCN(CC)Cc1cccc2n1ncn2 270004a_100000724800_200000100101 [1,0,0,0,0,1|1,0,0]=3 171 B16R2.140959 CCN(CC)c1cccc2c1cncn2 27a_100000724800_100009814520 [1,0,0,0,0,1|2,0,0]=4 172 B16R2.140959 CCN(CC)c1cccc2c1nccn2 27a_100000724800_100010003881 [1,0,0,0,0,1|2,0,0]=4 173 B16R2.140959 CCN(CC)c1cccc2c1ncnc2 27a_100000724800_100010246313 [1,0,0,0,0,1|2,0,0]=4 174 B16R2.140959 CCN(CC)c1ccnc2c1cccn2 27a_100000724800_100000087570 [1,0,0,0,0,1|2,0,0]=4 175 B16R2.140959 CCN(CC)c1ccnc2c1cncc2 27a_100000724800_100000095135 [1,0,0,0,0,1|2,0,0]=4 176 B16R2.140959 CCN(CC)c1ccnc2c1nccn2 27a_100000724800_100010783457 [1,0,0,0,0,1|1,0,0]=3 177 B16R2.211816 CCC(C)Sc1cc(nc2n1ncn2)C 62a_100000195393_100000758301 [1,0,0,0,0,1|1,0,0]=3 178 B16R2.211816 CCC(C)Sc1cc(nc2n1ncn2)C 62a_100000758301_100000195393 [1,0,0,0,0,1|1,0,0]=3 179 B16R2.211816 COC(C)Sc1cc(nc2n1ncn2)C 62a_100000195393_100009879195 [1,0,0,0,0,1|2,0,0]=4 180 B16R2.211816 COC(C)Sc1cc(nc2n1ncn2)C 62a_100009879195_100000195393 [1,0,0,0,0,1|2,0,0]=4 181 B16R2.211816 Cc1cc(n2ncnc2n1)N[C@H](C)CF 27a_100102880703_100000195393 [1,0,0,0,0,1|2,0,0]=4 182 B16R2.211816 Cc1cc(n2ncnc2n1)N[C@H](C)CO 27a_100000737577_100000195393 [1,0,0,0,0,1|2,0,0]=4 183 B16R2.211816 Cc1cc(n2ncnc2n1)SC(C)CO 62a_100012180447_100000195393 [1,0,0,0,0,1|2,0,0]=4 184 B16R2.211816 Cc1cc(n2ncnc2n1)S[C@H](C)CO 62a_100000195393_100016084084 [1,0,0,0,0,1|2,0,0]=4 185 B16R2.211816 Cc1cc(n2ncnc2n1)S[C@H](C)CO 62a_100016084084_100000195393 [1,0,0,0,0,1|2,0,0]=4 186 B18R2.69417 CCC(CC)CNc1cc(nc2n1ncn2)C 27a_100102946423_100000195393 [0,0,0,0,0,2|1,0,0]=3 187 B18R2.69417 CCC(CC)CSc1cc(nc2n1ncn2)C 62a_100000195393_100011215472 [0,0,0,0,0,2|1,0,0]=3 188 B18R2.69417 CCC(CC)CSc1cc(nc2n1ncn2)C 62a_100011215472_100000195393 [0,0,0,0,0,2|1,0,0]=3 189 B18R2.69417 CCC(CNc1cc(nc2n1ncn2)C)OC 27a_100000731041_100000195393 [0,0,0,0,0,2|2,0,0]=4