0 B10R1.258 C=Cc1cnc(n1C)C=O 271570a_100011290941_200009816901 [0,0,1,0,0,0|1,0,2]=4 1 B10R1.258 C=Cc1cnc(n1C)CO 271570a_100011290941_100009817024 [0,0,1,0,0,0|1,0,2]=4 2 B12R2.1 C=Cc1cnc2n1cccc2 271570a_100011290941_100011219245 [0,0,0,0,0,1|2,0,0]=3 3 B12R2.1 C=Cc1cnc2n1cccn2 271570a_100011290941_100011934454 [0,0,0,0,0,1|2,0,0]=3 4 B12R2.1 C=Cc1cnc2n1ccnc2 271570a_100011290941_100011934586 [0,0,0,0,0,1|2,0,0]=3 5 B12R2.1 C=Cc1cnc2n1nccc2 271570a_100011290941_100009819068 [0,0,0,0,0,1|2,0,0]=3 6 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [0,0,0,0,0,1|2,0,1]=4 7 B12R2.1 C=Cc1n[nH]c2c1cccn2 271570a_100011290941_100009888962 [0,0,0,0,0,1|2,0,1]=4 8 B12R2.1 C=Cc1n[nH]c2c1ccnc2 271570a_100011290941_100010244369 [0,0,0,0,0,1|2,0,1]=4 9 B12R2.1 C=Cc1n[nH]c2c1cncc2 271570a_100011290941_100010724670 [0,0,0,0,0,1|2,0,1]=4 10 B12R2.1 C=Cc1n[nH]c2c1nccc2 271570a_100011290941_100009817118 [0,0,0,0,0,1|2,0,1]=4 11 B12R2.1 C=Cc1nnc2n1cccc2 271570a_100011290941_100000699609 [0,0,0,0,0,1|1,0,0]=2 12 B12R2.1 CNc1cnc2n1nccc2 27a_100102657272_100009819068 [0,0,0,0,0,1|3,0,0]=4 13 B12R2.1 CSc1cnc2n1cccc2 62a_200000210301_100011219245 [0,0,0,0,0,1|3,0,0]=4 14 B12R2.1 CSc1cnc2n1cccn2 62a_100011934454_200000210301 [0,0,0,0,0,1|3,0,0]=4 15 B12R2.1 CSc1cnc2n1cccn2 62a_200000210301_100011934454 [0,0,0,0,0,1|3,0,0]=4 16 B12R2.1 CSc1cnc2n1ccnc2 62a_100011934586_200000210301 [0,0,0,0,0,1|3,0,0]=4 17 B12R2.1 CSc1cnc2n1ccnc2 62a_200000210301_100011934586 [0,0,0,0,0,1|3,0,0]=4 18 B12R2.1 CSc1cnc2n1nccc2 62a_200000210301_100009819068 [0,0,0,0,0,1|3,0,0]=4 19 B12R2.1 CSc1nnc2n1cccc2 62a_100000699609_200000210301 [0,0,0,0,0,1|2,0,0]=3 20 B12R2.1 CSc1nnc2n1cccc2 62a_200000210301_100000699609 [0,0,0,0,0,1|2,0,0]=3 21 B12R2.1 [13CH3]Sc1cnc2n1cccc2 62a_200025704644_100011219245 [0,0,0,0,0,1|3,0,0]=4 22 B12R2.1 [13CH3]Sc1cnc2n1cccn2 62a_100011934454_200025704644 [0,0,0,0,0,1|3,0,0]=4 23 B12R2.1 [13CH3]Sc1cnc2n1cccn2 62a_200025704644_100011934454 [0,0,0,0,0,1|3,0,0]=4 24 B12R2.1 [13CH3]Sc1cnc2n1ccnc2 62a_100011934586_200025704644 [0,0,0,0,0,1|3,0,0]=4 25 B12R2.1 [13CH3]Sc1cnc2n1ccnc2 62a_200025704644_100011934586 [0,0,0,0,0,1|3,0,0]=4 26 B12R2.1 [13CH3]Sc1cnc2n1nccc2 62a_200025704644_100009819068 [0,0,0,0,0,1|3,0,0]=4 27 B12R2.1 [13CH3]Sc1nnc2n1cccc2 62a_100000699609_200025704644 [0,0,0,0,0,1|2,0,0]=3 28 B12R2.1 [13CH3]Sc1nnc2n1cccc2 62a_200025704644_100000699609 [0,0,0,0,0,1|2,0,0]=3 29 B12R2.44 C=Cc1cc2cc[nH]c2nn1 271570a_100011290941_100009855299 [0,0,0,0,0,1|3,0,0]=4 30 B12R2.44 C=Cc1cn2ccnc2cn1 271570a_100011290941_102495339940 [0,0,0,0,0,1|3,0,0]=4 31 B12R2.44 C=Cc1cnc2ccnn2c1 271570a_100011290941_100011349234 [0,0,0,0,0,1|3,0,0]=4 32 B12R2.44 C=Cc1cnc2nccn2c1 271570a_100011290941_100000764708 [0,0,0,0,0,1|3,0,0]=4 33 B12R2.315 C=Cc1ccnc2n1ncc2 271570a_100011290941_100000080991 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.315 C=Cc1cncc2n1ccn2 271570a_100011290941_100009818520 [0,0,0,0,0,1|3,0,0]=4 35 B12R2.315 C=Cc1ncnc2c1[nH]cc2 271570a_100011290941_100000084117 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.315 C=Cc1ncnc2c1cco2 271570a_100011290941_100000094286 [0,0,0,0,0,1|3,0,0]=4 37 B12R2.315 C=Cc1ncnc2c1ccs2 271570a_100011290941_100000183654 [0,0,0,0,0,1|3,0,0]=4 38 B12R2.315 C=Cc1ncnc2c1scc2 271570a_100011290941_100000234879 [0,0,0,0,0,1|3,0,0]=4 39 B12R2.315 C=Cc1ncnn2c1ccc2 271570a_100011290941_100000104113 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.1 C=C=Cc1cnc2n1cccc2 271570a_100015277604_100011219245 [0,1,0,0,0,1|2,0,0]=4 41 B13R2.1 C=C=Cc1cnc2n1cccn2 271570a_100015277604_100011934454 [0,1,0,0,0,1|2,0,0]=4 42 B13R2.1 C=C=Cc1cnc2n1ccnc2 271570a_100015277604_100011934586 [0,1,0,0,0,1|2,0,0]=4 43 B13R2.1 C=C=Cc1cnc2n1nccc2 271570a_100015277604_100009819068 [0,1,0,0,0,1|2,0,0]=4 44 B13R2.1 C=C=Cc1nnc2n1cccc2 271570a_100015277604_100000699609 [0,1,0,0,0,1|1,0,0]=3 45 B13R2.1 CC=Cc1cnc2n1cccc2 271570a_100016259895_100011219245 [0,1,0,0,0,1|2,0,0]=4 46 B13R2.1 CC=Cc1cnc2n1cccn2 271570a_100016259895_100011934454 [0,1,0,0,0,1|2,0,0]=4 47 B13R2.1 CC=Cc1cnc2n1ccnc2 271570a_100016259895_100011934586 [0,1,0,0,0,1|2,0,0]=4 48 B13R2.1 CC=Cc1cnc2n1nccc2 271570a_100016259895_100009819068 [0,1,0,0,0,1|2,0,0]=4 49 B13R2.1 CC=Cc1nnc2n1cccc2 271570a_100016259895_100000699609 [0,1,0,0,0,1|1,0,0]=3 50 B13R2.1 CCSc1nnc2n1cccc2 62a_100000210202_100000699609 [0,1,0,0,0,1|1,0,1]=4 51 B13R2.1 CCSc1nnc2n1cccc2 62a_100000699609_100000210202 [0,1,0,0,0,1|1,0,1]=4 52 B13R2.1 CNCc1nnc2n1cccc2 2230a_100020603313_200000210301 [0,1,0,0,0,1|1,0,1]=4 53 B13R2.1 CNCc1nnc2n1cccc2 2230a_106832991635_100000037651 [0,1,0,0,0,1|1,0,1]=4 54 B13R2.1 CNCc1nnc2n1cccc2 7a_106832991635_100000037651 [0,1,0,0,0,1|1,0,1]=4 55 B13R2.1 CSCc1nnc2n1cccc2 62a_100000037651_200000210301 [0,1,0,0,0,1|0,1,1]=4 56 B13R2.1 CSCc1nnc2n1cccc2 62a_200000210301_100000037651 [0,1,0,0,0,1|0,1,1]=4 57 B13R2.1 FCSc1nnc2n1cccc2 62a_100000699609_100015361967 [0,1,0,0,0,1|1,0,1]=4 58 B13R2.1 FCSc1nnc2n1cccc2 62a_100015361967_100000699609 [0,1,0,0,0,1|1,0,1]=4 59 B13R2.1 [13CH3]NCc1nnc2n1cccc2 2230a_100020603313_200025704644 [0,1,0,0,0,1|1,0,1]=4 60 B13R2.1 [13CH3]SCc1nnc2n1cccc2 62a_100000037651_200025704644 [0,1,0,0,0,1|0,1,1]=4 61 B13R2.1 [13CH3]SCc1nnc2n1cccc2 62a_200025704644_100000037651 [0,1,0,0,0,1|0,1,1]=4 62 B13R2.9 C=Cc1cnc2n1cccc2Br 271570a_100011290941_100013004016 [0,1,0,0,0,1|2,0,0]=4 63 B13R2.9 C=Cc1cnc2n1cccc2C 271570a_100011290941_100012351083 [0,1,0,0,0,1|2,0,0]=4 64 B13R2.9 C=Cc1cnc2n1cccc2Cl 271570a_100011290941_100010025871 [0,1,0,0,0,1|2,0,0]=4 65 B13R2.9 C=Cc1cnc2n1cccc2F 271570a_100011290941_100009817165 [0,1,0,0,0,1|2,0,0]=4 66 B13R2.9 C=Cc1cnc2n1cccc2O 271570a_100011290941_200020799507 [0,1,0,0,0,1|2,0,0]=4 67 B13R2.9 C=Cc1cnc2n1ccnc2Cl 271570a_100011290941_100010234638 [0,1,0,0,0,1|2,0,0]=4 68 B13R2.9 C=Cc1cnc2n1ccnc2N 271570a_100011290941_100010204652 [0,1,0,0,0,1|2,0,0]=4 69 B13R2.72 C=C(C)c1cnc2n1cccc2 271570a_100000694244_100011219245 [0,1,0,0,0,1|2,0,0]=4 70 B13R2.72 C=C(C)c1cnc2n1cccn2 271570a_100000694244_100011934454 [0,1,0,0,0,1|2,0,0]=4 71 B13R2.72 C=C(C)c1cnc2n1ccnc2 271570a_100000694244_100011934586 [0,1,0,0,0,1|2,0,0]=4 72 B13R2.72 C=C(C)c1cnc2n1nccc2 271570a_100000694244_100009819068 [0,1,0,0,0,1|2,0,0]=4 73 B13R2.72 C=C(C)c1nnc2n1cccc2 271570a_100000694244_100000699609 [0,1,0,0,0,1|1,0,0]=3 74 B13R2.135 C=Cc1c(nc2n1cccc2)C 271570a_100011290941_100009816614 [0,1,0,0,0,1|2,0,0]=4 75 B13R2.135 C=Cc1c(nc2n1nccc2)C 271570a_100011290941_200010336598 [0,1,0,0,0,1|2,0,0]=4 76 B13R2.662 C=Cc1cnc2n1ccc(c2)Br 271570a_100011290941_100010730183 [0,1,0,0,0,1|2,0,0]=4 77 B13R2.662 C=Cc1cnc2n1ccc(c2)C 271570a_100011290941_100011934683 [0,1,0,0,0,1|2,0,0]=4 78 B13R2.662 C=Cc1cnc2n1ccc(c2)F 271570a_100011290941_100020640160 [0,1,0,0,0,1|2,0,0]=4 79 B13R2.662 C=Cc1cnc2n1ccc(n2)C 271570a_100011290941_100010188129 [0,1,0,0,0,1|2,0,0]=4 80 B13R2.2091 C=Cc1cnc2n1c(ccc2)C 271570a_100011290941_100012566946 [0,1,0,0,0,1|2,0,0]=4 81 B13R2.2136 C=Cc1cnc2n1cc(cc2)Br 271570a_100011290941_100012343615 [0,1,0,0,0,1|2,0,0]=4 82 B13R2.2136 C=Cc1cnc2n1cc(cc2)C 271570a_100011290941_100012351729 [0,1,0,0,0,1|2,0,0]=4 83 B13R2.2136 C=Cc1cnc2n1cc(cc2)Cl 271570a_100011290941_200012351726 [0,1,0,0,0,1|2,0,0]=4 84 B13R2.2136 C=Cc1cnc2n1cc(cc2)F 271570a_100011290941_100012350704 [0,1,0,0,0,1|2,0,0]=4 85 B13R2.2136 C=Cc1cnc2n1cc(cc2)N 271570a_100011290941_102495324787 [0,1,0,0,0,1|2,0,0]=4 86 B13R2.2136 C=Cc1cnc2n1nc(cc2)N 271570a_100011290941_100010240408 [0,1,0,0,0,1|2,0,0]=4 87 B13R2.2136 CCc1nnc2n1cc(cc2)O 271570a_203496583355_200009892593 [0,1,0,0,0,1|1,0,1]=4 88 B13R2.2136 CSc1nnc2n1cc(cc2)O 271570a_203496583355_200009817042 [0,1,0,0,0,1|2,0,0]=4 89 B13R2.2136 OCc1cnc2n1nc(cc2)O 271570a_203496583355_100009870933 [0,1,0,0,0,1|1,0,1]=4 90 B11R2.36 Oc1cc2cc[nH]c2nn1 271570a_203496583355_100009855299 [0,0,1,1,0,0|2,0,0]=4 91 B11R2.36 Oc1ccc2nncn2c1 271570a_203496583355_100000764363 [0,0,1,1,0,0|2,0,0]=4 92 B11R2.36 Oc1cn2ccnc2cn1 271570a_203496583355_102495339940 [0,0,1,1,0,0|2,0,0]=4 93 B11R2.36 Oc1cn2cnnc2cn1 271570a_203496583355_100015552654 [0,0,1,1,0,0|2,0,0]=4 94 B11R2.36 Oc1cnc2ccnn2c1 271570a_203496583355_100011349234 [0,0,1,1,0,0|2,0,0]=4 95 B11R2.36 Oc1cnc2nccn2c1 271570a_203496583355_100000764708 [0,0,1,1,0,0|2,0,0]=4 96 B11R2.106 Oc1cccc2c1[nH]nc2 271570a_203496583355_100009816125 [0,0,1,1,0,0|1,0,1]=4 97 B11R2.106 Oc1cccc2c1onc2 271570a_203496583355_100000765530 [0,0,1,1,0,0|2,0,0]=4 98 B11R2.106 Oc1cccn2c1cnc2 271570a_203496583355_100009857155 [0,0,1,1,0,0|1,0,0]=3 99 B11R2.106 Oc1cccn2c1ncc2 271570a_203496583355_100011934911 [0,0,1,1,0,0|1,0,0]=3 100 B11R2.106 Oc1cccn2c1ncn2 271570a_203496583355_100009819722 [0,0,1,1,0,0|2,0,0]=4 101 B11R2.106 Oc1cccn2c1nnc2 271570a_203496583355_100000764285 [0,0,1,1,0,0|0,0,0]=2 102 B11R2.106 Oc1cccn2c1nnn2 271570a_203496583355_100009852330 [0,0,1,1,0,0|1,0,0]=3 103 B11R2.106 Oc1cncn2c1nnc2 271570a_203496583355_100009864847 [0,0,1,1,0,0|1,0,0]=3 104 B11R2.106 Oc1nccn2c1cnc2 271570a_203496583355_100009989554 [0,0,1,1,0,0|2,0,0]=4 105 B11R2.106 Oc1nccn2c1ncc2 271570a_203496583355_100009887225 [0,0,1,1,0,0|2,0,0]=4 106 B11R2.106 Oc1nccn2c1nnc2 271570a_203496583355_100000757256 [0,0,1,1,0,0|1,0,0]=3 107 B11R2.1 Oc1nnc2n1cccc2 271570a_203496583355_100000699609 [0,0,1,1,0,0|2,0,0]=4 108 B13R2.1613 C=Cc1cnnc2c1cccc2 271570a_100011290941_100000063506 [0,0,0,0,0,2|2,0,0]=4 109 B13R2.1613 C=Cc1ncnc2c1cccc2 271570a_100011290941_100000217608 [0,0,0,0,0,2|2,0,0]=4 110 B13R2.1613 C=Cc1ncnc2c1cccn2 271570a_100011290941_100000026734 [0,0,0,0,0,2|2,0,0]=4 111 B13R2.1613 C=Cc1ncnc2c1ccnc2 271570a_100011290941_100000098430 [0,0,0,0,0,2|2,0,0]=4 112 B14R2.2 CC(=Cc1nnc2n1cccc2)C 271570a_100102525489_100000699609 [0,2,0,0,0,1|1,0,0]=4 113 B14R2.2 CC(=O)Cc1nnc2n1cccc2 1458a_100000070787_100000037651 [0,2,0,0,0,1|0,0,1]=4 114 B14R2.3 C=CCSc1nnc2n1cccc2 62a_100000210623_100000699609 [0,2,0,0,0,1|1,0,0]=4 115 B14R2.3 C=CCSc1nnc2n1cccc2 62a_100000699609_100000210623 [0,2,0,0,0,1|1,0,0]=4 116 B14R2.3 COCSc1nnc2n1cccc2 62a_100000699609_100000766300 [0,2,0,0,0,1|0,0,1]=4 117 B14R2.3 COCSc1nnc2n1cccc2 62a_100000766300_100000699609 [0,2,0,0,0,1|0,0,1]=4 118 B14R2.3 O=CCSc1nnc2n1cccc2 62a_100000699609_200015260668 [0,2,0,0,0,1|0,0,1]=4 119 B14R2.3 O=CCSc1nnc2n1cccc2 62a_200015260668_100000699609 [0,2,0,0,0,1|0,0,1]=4 120 B14R2.3 OCCSc1nnc2n1cccc2 62a_100000211926_100000699609 [0,2,0,0,0,1|0,0,1]=4 121 B14R2.3 OCCSc1nnc2n1cccc2 62a_100000699609_100000211926 [0,2,0,0,0,1|0,0,1]=4 122 B12R2.1081 Oc1cccc2c1ncnc2 271570a_203496583355_100010246313 [0,0,1,1,0,1|1,0,0]=4 123 B12R2.246 Cc1cc(c2nccn2c1)O 271570a_203496583355_100025775375 [0,1,1,1,0,0|1,0,0]=4 124 B12R2.246 Cc1cc(c2nnnn2c1)O 271570a_203496583355_200010872638 [0,1,1,1,0,0|1,0,0]=4 125 B12R2.246 Cc1cc(cn2c1nnc2)O 271570a_203496583355_100010183136 [0,1,1,1,0,0|1,0,0]=4 126 B12R2.246 Oc1cc(c2nccn2c1)O 271570a_203496583355_100010074634 [0,1,1,1,0,0|1,0,0]=4 127 B12R2.246 Oc1cc(cn2c1ncc2)Br 271570a_203496583355_100000687079 [0,1,1,1,0,0|1,0,0]=4 128 B12R2.246 Oc1cc(cn2c1ncc2)Cl 271570a_203496583355_100010232167 [0,1,1,1,0,0|1,0,0]=4 129 B12R2.246 Oc1cc(cn2c1ncc2)F 271570a_203496583355_100010289905 [0,1,1,1,0,0|1,0,0]=4 130 B12R2.221 Cc1ccc(c2n1ccn2)O 271570a_203496583355_200015695500 [0,1,1,1,0,0|1,0,0]=4 131 B12R2.221 Oc1ccc(n2c1ncc2)Cl 271570a_203496583355_100010184985 [0,1,1,1,0,0|1,0,0]=4 132 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [0,0,1,0,2,0|1,0,0]=4 133 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [0,0,1,0,2,0|1,0,0]=4