0 B16R2.22304 Nc1cc(nc([n+]1[O-])N)C2=CCCCC2 271570a_100000062251_200000004042 [0,0,0,0,0,0|1,0,1]=2 1 B16R2.22304 Nc1cc(nc([n+]1[O-])N)C2=CCCCO2 271570a_100010177797_200000004042 [0,0,0,0,0,0|2,0,1]=3 2 B16R2.22304 Nc1cc(nc([n+]1[O-])N)C2=CCNCC2 271570a_100000731432_200000004042 [0,0,0,0,0,0|2,0,1]=3 3 B16R2.22304 Nc1cc(nc([n+]1[O-])N)C2=CCOCC2 271570a_100000070234_200000004042 [0,0,0,0,0,0|2,0,1]=3 4 B16R2.22304 Nc1cc(nc([n+]1[O-])N)C2=CCSCC2 271570a_100010232141_200000004042 [0,0,0,0,0,0|2,0,1]=3 5 B16R2.22304 Nc1cc(nc([n+]1[O-])N)C2=COCCC2 271570a_100010175576_200000004042 [0,0,0,0,0,0|2,0,1]=3 6 B15R2.27 Cc1cc(nc(n1)N)N2CCOCC2 27a_100015191051_100000183061 [1,0,0,0,0,0|2,0,1]=4 7 B15R2.27 Cc1cc(nc(n1)N)N2CCSCC2 27a_100000737611_100000183061 [1,0,0,0,0,0|2,0,1]=4 8 B15R2.27 Cc1nc(cc(n1)N2CCOCC2)N 27a_100015191051_100000761517 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.27 Cc1nc(cc(n1)N2CCSCC2)N 27a_100000737611_100000761517 [1,0,0,0,0,0|2,0,1]=4 10 B15R2.27 Nc1cc(nc(n1)N)C2=CCCCC2 271570a_100000062251_100011177858 [1,0,0,0,0,0|1,0,2]=4 11 B15R2.27 Nc1nc(cc(n1)N2CCCCC2)O 271570a_203496583355_100011202726 [1,0,0,0,0,0|1,0,1]=3 12 B15R2.27 Nc1nc(cc(n1)N2CCOCC2)O 271570a_203496583355_100011210046 [1,0,0,0,0,0|2,0,1]=4 13 B15R2.27 Nc1nc(cc(n1)N2CCOCC2)O 27a_100015191051_100000694715 [1,0,0,0,0,0|2,0,1]=4 14 B15R2.27 Nc1nc(cc(n1)N2CCSCC2)O 27a_100000737611_100000694715 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.27 Nc1nc(nc(n1)N2CCOCC2)N 27a_100015191051_100000188858 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.27 Nc1nc(nc(n1)N2CCSCC2)N 27a_100000737611_100000188858 [1,0,0,0,0,0|2,0,1]=4 17 B17R2.146997 CC1CC=C(CC1)c2cc([n+](c(n2)N)[O-])N 271570a_100010240233_200000004042 [0,1,0,0,0,0|1,0,1]=3 18 B17R2.146997 Nc1cc(nc([n+]1[O-])N)C2=CCC(CC2)O 271570a_100010254553_200000004042 [0,1,0,0,0,0|1,0,1]=3 19 B17R2.150293 Nc1cc(nc([n+]1[O-])N)C2=CC(=O)CCC2 271570a_100000723966_200000004042 [0,1,0,0,0,0|1,0,2]=4 20 B15R1.552 C#CCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011215417 [0,0,1,0,0,0|1,0,2]=4 21 B15R1.552 C=CCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000757094 [0,0,1,0,0,0|1,0,2]=4 22 B15R1.552 CC/C=C\CSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100103147603 [0,0,1,0,0,0|1,0,2]=4 23 B15R1.552 CCC#CCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100009813939 [0,0,1,0,0,0|1,0,2]=4 24 B15R1.552 CCCCC=Cc1cc([n+](c(n1)N)[O-])N 271570a_100016275911_200000004042 [0,0,1,0,0,0|1,0,1]=3 25 B15R1.552 CCCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000210326 [0,0,1,0,0,0|1,0,0]=2 26 B15R1.552 CCOCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011215890 [0,0,1,0,0,0|2,0,0]=3 27 B15R1.552 CCSCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000757381 [0,0,1,0,0,0|2,0,0]=3 28 B15R1.552 COCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000709357 [0,0,1,0,0,0|2,0,0]=3 29 B15R1.552 N#CCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000687738 [0,0,1,0,0,0|2,0,1]=4 30 B15R1.552 Nc1cc(nc([n+]1[O-])N)SCCCC=O 62a_200000004042_200011292268 [0,0,1,0,0,0|2,0,1]=4 31 B15R1.552 Nc1cc(nc([n+]1[O-])N)SCCCCF 62a_200000004042_100000729493 [0,0,1,0,0,0|2,0,0]=3 32 B15R1.552 Nc1cc(nc([n+]1[O-])N)SCCCCO 62a_200000004042_100000210776 [0,0,1,0,0,0|2,0,0]=3 33 B15R2.13164 Nc1cc(nc([n+]1[O-])N)C2=CCCC2 271570a_100000089523_200000004042 [0,0,0,0,1,0|1,0,1]=3 34 B15R2.13164 Nc1cc(nc([n+]1[O-])N)C2=CCOC2 271570a_100009872500_200000004042 [0,0,0,0,1,0|2,0,1]=4 35 B15R2.13164 Nc1cc(nc([n+]1[O-])N)C2=COCC2 271570a_100000118173_200000004042 [0,0,0,0,1,0|2,0,1]=4 36 B17R2.36760 Nc1cc(nc([n+]1[O-])N)SC2C=CCCC2 62a_200000004042_100000751183 [0,0,0,0,0,1|1,0,2]=4 37 B17R2.36760 Nc1cc(nc([n+]1[O-])N)SC2CCCCC2 62a_200000004042_100000210327 [0,0,0,0,0,1|1,0,0]=2 38 B17R2.36760 Nc1cc(nc([n+]1[O-])N)SC2CCCOC2 62a_200000004042_100000693364 [0,0,0,0,0,1|2,0,0]=3 39 B17R2.36760 Nc1cc(nc([n+]1[O-])N)SC2CCOCC2 62a_200000004042_100011324220 [0,0,0,0,0,1|2,0,0]=3 40 B17R2.36760 Nc1cc(nc([n+]1[O-])N)SC2CCSCC2 62a_200000004042_100000069128 [0,0,0,0,0,1|2,0,0]=3 41 B17R2.882073 Nc1cc(nc([n+]1[O-])N)C2=CCCCCC2 271570a_200009888920_200000004042 [0,0,0,0,0,1|1,0,0]=2 42 B14R1.61 CCCC=Cc1cc([n+](c(n1)N)[O-])N 271570a_100016258520_200000004042 [1,0,1,0,0,0|0,0,2]=4 43 B14R1.61 CCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000210210 [1,0,1,0,0,0|1,0,0]=3 44 B14R1.61 CCOCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000739092 [1,0,1,0,0,0|2,0,0]=4 45 B14R1.61 COCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000233755 [1,0,1,0,0,0|2,0,0]=4 46 B14R1.61 CSCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000751147 [1,0,1,0,0,0|2,0,0]=4 47 B14R1.61 Nc1cc(nc([n+]1[O-])N)SCCCF 62a_200000004042_100011934791 [1,0,1,0,0,0|2,0,0]=4 48 B14R1.61 Nc1cc(nc([n+]1[O-])N)SCCCO 62a_200000004042_100011215043 [1,0,1,0,0,0|2,0,0]=4 49 B14R1.443 CCCCCNc1cc(nc(n1)C)N 27a_100000209983_100000761517 [1,0,1,0,0,0|1,0,1]=4 50 B14R1.443 CCCCCNc1cc(nc(n1)N)C 27a_100000209983_100000183061 [1,0,1,0,0,0|1,0,1]=4 51 B14R1.443 CCCCCNc1cc(nc(n1)N)O 27a_100000209983_100000694715 [1,0,1,0,0,0|1,0,1]=4 52 B14R1.443 CCCCCNc1nc(nc(n1)N)N 27a_100000209983_100000188858 [1,0,1,0,0,0|1,0,1]=4 53 B14R1.443 CCCCCSc1cc(nc(n1)N)N 62a_100000212091_100000210326 [1,0,1,0,0,0|1,0,1]=4 54 B14R1.189 CCCN(CC)c1cc(nc(n1)C)N 27a_100000226822_100000761517 [1,0,1,0,0,0|1,0,1]=4 55 B14R1.189 CCCN(CC)c1cc(nc(n1)N)C 27a_100000226822_100000183061 [1,0,1,0,0,0|1,0,1]=4 56 B14R1.189 CCCN(CC)c1cc(nc(n1)N)O 27a_100000226822_100000694715 [1,0,1,0,0,0|1,0,1]=4 57 B14R1.189 CCCN(CC)c1nc(nc(n1)N)N 27a_100000226822_100000188858 [1,0,1,0,0,0|1,0,1]=4 58 B14R1.923 CCCCN(C)c1cc(nc(n1)C)N 27a_100000207549_100000761517 [1,0,1,0,0,0|1,0,1]=4 59 B14R1.923 CCCCN(C)c1cc(nc(n1)N)C 27a_100000207549_100000183061 [1,0,1,0,0,0|1,0,1]=4 60 B14R1.923 CCCCN(C)c1cc(nc(n1)N)O 27a_100000207549_100000694715 [1,0,1,0,0,0|1,0,1]=4 61 B14R1.923 CCCCN(C)c1nc(nc(n1)N)N 27a_100000207549_100000188858 [1,0,1,0,0,0|1,0,1]=4 62 B14R2.21 Nc1cc(ncn1)N2CCOCC2 27a_100015191051_100000701291 [2,0,0,0,0,0|1,0,1]=4 63 B14R2.21 Nc1cc(ncn1)N2CCSCC2 27a_100000737611_100000701291 [2,0,0,0,0,0|1,0,1]=4 64 B14R2.21 Nc1nccc(n1)N2CCOCC2 27a_100015191051_100000055538 [2,0,0,0,0,0|1,0,1]=4 65 B14R2.21 Nc1nccc(n1)N2CCSCC2 27a_100000737611_100000055538 [2,0,0,0,0,0|1,0,1]=4 66 B14R2.21 Oc1cc(ncn1)N2CCCCC2 271570a_203496583355_100000242479 [2,0,0,0,0,0|1,0,1]=4 67 B14R2.21 Oc1cccc(n1)N2CCCCC2 271570a_203496583355_200011934742 [2,0,0,0,0,0|2,0,0]=4 68 B14R2.21 Oc1ccnc(c1)N2CCCCC2 271570a_203496583355_100000100308 [2,0,0,0,0,0|2,0,0]=4 69 B14R2.21 Oc1nccc(n1)N2CCCCC2 271570a_203496583355_100011649928 [2,0,0,0,0,0|1,0,1]=4 70 B14R2.68 Oc1ccc(nc1)N2CCCCC2 271570a_203496583355_200102616235 [2,0,0,0,0,0|1,0,1]=4 71 B16R1.1217 C#CCCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100010269958 [0,1,1,0,0,0|1,0,1]=4 72 B16R1.1217 C=CCCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011215482 [0,1,1,0,0,0|1,0,1]=4 73 B16R1.1217 CC/C=C\CCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100015370543 [0,1,1,0,0,0|1,0,1]=4 74 B16R1.1217 CCCCCC=Cc1cc([n+](c(n1)N)[O-])N 271570a_100000062253_200000004042 [0,1,1,0,0,0|1,0,0]=3 75 B16R1.1217 CCCCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000210757 [0,1,1,0,0,0|1,0,0]=3 76 B16R1.1217 CCCCOCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011995733 [0,1,1,0,0,0|1,0,0]=3 77 B16R1.1217 CCCOCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011215938 [0,1,1,0,0,0|1,0,0]=3 78 B16R1.1217 CCOCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100012232248 [0,1,1,0,0,0|1,0,0]=3 79 B16R1.1217 COCCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000730899 [0,1,1,0,0,0|1,0,0]=3 80 B16R1.1217 COCCOCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000231047 [0,1,1,0,0,0|2,0,0]=4 81 B16R1.1217 N#CCCCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000211819 [0,1,1,0,0,0|1,0,1]=4 82 B16R1.1217 Nc1cc(nc([n+]1[O-])N)SCCCCC=O 62a_200000004042_100000139335 [0,1,1,0,0,0|1,0,1]=4 83 B16R1.1217 Nc1cc(nc([n+]1[O-])N)SCCCCCF 62a_200000004042_100000729378 [0,1,1,0,0,0|1,0,0]=3 84 B16R1.1217 Nc1cc(nc([n+]1[O-])N)SCCCCCO 62a_200000004042_100000746330 [0,1,1,0,0,0|1,0,0]=3 85 B16R1.1217 Nc1cc(nc([n+]1[O-])N)SCCOCCO 62a_200000004042_100011215305 [0,1,1,0,0,0|2,0,0]=4 86 B16R1.1451 CCCCC(=Cc1cc([n+](c(n1)N)[O-])N)Br 271570a_206741709834_200000004042 [0,1,1,0,0,0|1,0,1]=4 87 B16R1.1451 CCCCC(C)Sc1cc([n+](c(n1)N)[O-])N 62a_200000004042_200011215066 [0,1,1,0,0,0|1,0,0]=3 88 B16R1.1520 CCCC(=O)CSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000747444 [0,1,1,0,0,0|1,0,1]=4 89 B16R1.1520 CCCC(C)CSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011216630 [0,1,1,0,0,0|1,0,0]=3 90 B16R1.1520 COCC(O)CSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011215053 [0,1,1,0,0,0|2,0,0]=4 91 B16R1.52956 CC(=O)CCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011215641 [0,1,1,0,0,0|1,0,1]=4 92 B16R1.52956 CC(C)CCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011214892 [0,1,1,0,0,0|1,0,0]=3 93 B16R1.52956 CC(C)OCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000211751 [0,1,1,0,0,0|2,0,0]=4 94 B16R1.52956 CC(C)SCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000730970 [0,1,1,0,0,0|2,0,0]=4 95 B16R1.52956 CC(O)CCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_200000718107 [0,1,1,0,0,0|1,0,0]=3 96 B16R1.52956 CN(C)CCCSc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100000757444 [0,1,1,0,0,0|2,0,0]=4 97 B16R2.19 C=Cc1cc(nc(n1)N)N2CCCCC2 271570a_100011290941_100011202726 [1,1,0,0,0,0|1,0,1]=4 98 B16R2.19 CSc1cc(nc(n1)N)N2CCCCC2 62a_100011202726_200000210301 [1,1,0,0,0,0|1,0,1]=4 99 B16R2.19 CSc1cc(nc(n1)N)N2CCCCC2 62a_200000210301_100011202726 [1,1,0,0,0,0|1,0,1]=4 100 B16R2.19 [13CH3]Sc1cc(nc(n1)N)N2CCCCC2 62a_100011202726_200025704644 [1,1,0,0,0,0|1,0,1]=4 101 B16R2.19 [13CH3]Sc1cc(nc(n1)N)N2CCCCC2 62a_200025704644_100011202726 [1,1,0,0,0,0|1,0,1]=4 102 B16R2.79341 CC1CCN(CC1)c2cc(nc(n2)N)O 27a_100000188429_100000694715 [1,1,0,0,0,0|1,0,1]=4 103 B16R2.79341 CC1CCN(CC1)c2nc(nc(n2)N)N 27a_100000188429_100000188858 [1,1,0,0,0,0|1,0,1]=4 104 B16R2.79341 Cc1cc(nc(n1)N)N2CCC(CC2)C 27a_100000188429_100000183061 [1,1,0,0,0,0|1,0,1]=4 105 B16R2.79341 Cc1cc(nc(n1)N)N2CCC(CC2)F 27a_100015193889_100000183061 [1,1,0,0,0,0|1,0,1]=4 106 B16R2.79341 Cc1cc(nc(n1)N)N2CCC(CC2)O 27a_100025773856_100000183061 [1,1,0,0,0,0|1,0,1]=4 107 B16R2.79341 Cc1nc(cc(n1)N2CCC(CC2)C)N 27a_100000188429_100000761517 [1,1,0,0,0,0|1,0,1]=4 108 B16R2.79341 Cc1nc(cc(n1)N2CCC(CC2)F)N 27a_100015193889_100000761517 [1,1,0,0,0,0|1,0,1]=4 109 B16R2.79341 Cc1nc(cc(n1)N2CCC(CC2)O)N 27a_100025773856_100000761517 [1,1,0,0,0,0|1,0,1]=4 110 B16R2.79341 Nc1nc(cc(n1)N2CCC(CC2)F)O 27a_100015193889_100000694715 [1,1,0,0,0,0|1,0,1]=4 111 B16R2.79341 Nc1nc(cc(n1)N2CCC(CC2)O)O 27a_100025773856_100000694715 [1,1,0,0,0,0|1,0,1]=4 112 B16R2.79341 Nc1nc(nc(n1)N2CCC(CC2)F)N 27a_100015193889_100000188858 [1,1,0,0,0,0|1,0,1]=4 113 B16R2.79341 Nc1nc(nc(n1)N2CCC(CC2)O)N 27a_100025773856_100000188858 [1,1,0,0,0,0|1,0,1]=4 114 B16R2.80704 C[C@H]1CCCN(C1)c2cc(nc(n2)N)O 27a_100000717927_100000694715 [1,1,0,0,0,0|1,0,1]=4 115 B16R2.80704 C[C@H]1CCCN(C1)c2nc(nc(n2)N)N 27a_100000717927_100000188858 [1,1,0,0,0,0|1,0,1]=4 116 B16R2.80704 Cc1cc(nc(n1)N)N2CCCC(C2)F 27a_100000697950_100000183061 [1,1,0,0,0,0|1,0,1]=4 117 B16R2.80704 Cc1cc(nc(n1)N)N2CCCC(C2)O 27a_100000211013_100000183061 [1,1,0,0,0,0|1,0,1]=4 118 B16R2.80704 Cc1cc(nc(n1)N)N2CCC[C@@H](C2)C 27a_100000717927_100000183061 [1,1,0,0,0,0|1,0,1]=4 119 B16R2.80704 Cc1nc(cc(n1)N2CCCC(C2)F)N 27a_100000697950_100000761517 [1,1,0,0,0,0|1,0,1]=4 120 B16R2.80704 Cc1nc(cc(n1)N2CCCC(C2)O)N 27a_100000211013_100000761517 [1,1,0,0,0,0|1,0,1]=4 121 B16R2.80704 Cc1nc(cc(n1)N2CCC[C@@H](C2)C)N 27a_100000717927_100000761517 [1,1,0,0,0,0|1,0,1]=4 122 B16R2.80704 Nc1nc(cc(n1)N2CCCC(C2)F)O 27a_100000697950_100000694715 [1,1,0,0,0,0|1,0,1]=4 123 B16R2.80704 Nc1nc(cc(n1)N2CCCC(C2)O)O 27a_100000211013_100000694715 [1,1,0,0,0,0|1,0,1]=4 124 B16R2.80704 Nc1nc(nc(n1)N2CCCC(C2)F)N 27a_100000697950_100000188858 [1,1,0,0,0,0|1,0,1]=4 125 B16R2.80704 Nc1nc(nc(n1)N2CCCC(C2)O)N 27a_100000211013_100000188858 [1,1,0,0,0,0|1,0,1]=4 126 B16R2.95959 CC1CCCCN1c2cc(nc(n2)N)O 27a_100000211376_100000694715 [1,1,0,0,0,0|1,0,1]=4 127 B16R2.95959 CC1CCCCN1c2nc(nc(n2)N)N 27a_100000211376_100000188858 [1,1,0,0,0,0|1,0,1]=4 128 B16R2.95959 Cc1cc(nc(n1)N)N2CCCCC2C 27a_100000211376_100000183061 [1,1,0,0,0,0|1,0,1]=4 129 B16R2.95959 Cc1nc(cc(n1)N2CCCCC2C)N 27a_100000211376_100000761517 [1,1,0,0,0,0|1,0,1]=4 130 B18R2.512566 Nc1cc(nc([n+]1[O-])N)SC2CCCCC2=O 62a_200000004042_100000204591 [0,1,0,0,0,1|1,0,1]=4 131 B18R2.512566 Nc1cc(nc([n+]1[O-])N)SC2CCCCC2F 62a_200000004042_100015423560 [0,1,0,0,0,1|1,0,0]=3 132 B18R2.512566 Nc1cc(nc([n+]1[O-])N)SC2CCCCC2O 62a_200000004042_100000038908 [0,1,0,0,0,1|1,0,0]=3 133 B18R2.686212 CC1CCC(CC1)Sc2cc([n+](c(n2)N)[O-])N 62a_200000004042_200011216234 [0,1,0,0,0,1|1,0,0]=3 134 B18R2.686212 CN1CCC(CC1)Sc2cc([n+](c(n2)N)[O-])N 62a_200000004042_100011215917 [0,1,0,0,0,1|2,0,0]=4 135 B18R2.35929 CCC1CC=C(CC1)c2cc([n+](c(n2)N)[O-])N 271570a_200010144120_200000004042 [0,2,0,0,0,0|1,0,1]=4 136 B18R2.35929 COC1CC=C(CC1)c2cc([n+](c(n2)N)[O-])N 271570a_100010144119_200000004042 [0,2,0,0,0,0|1,0,1]=4 137 B18R2.35929 N#CC1CC=C(CC1)c2cc([n+](c(n2)N)[O-])N 271570a_100010254552_200000004042 [0,2,0,0,0,0|1,0,1]=4 138 B18R2.473737 CC1(CC=C(CC1)c2cc([n+](c(n2)N)[O-])N)C 271570a_100000069032_200000004042 [0,2,0,0,0,0|1,0,1]=4 139 B18R2.473737 Nc1cc(nc([n+]1[O-])N)C2=CCC(CC2)(F)F 271570a_100010243660_200000004042 [0,2,0,0,0,0|1,0,1]=4 140 B16R2.14324 Nc1cc(nc([n+]1[O-])N)C=C2CCCC2 271570a_100010378317_200000004042 [0,0,1,1,0,0|1,0,1]=4 141 B16R2.14324 Nc1cc(nc([n+]1[O-])N)SC2CCCC2 62a_200000004042_100000179811 [0,0,1,1,0,0|1,0,0]=3 142 B16R2.14324 Nc1cc(nc([n+]1[O-])N)SC2CCOC2 62a_200000004042_100000690089 [0,0,1,1,0,0|2,0,0]=4 143 B16R2.375751 Nc1cc(nc([n+]1[O-])N)SCC2CCC2 62a_200000004042_100000763275 [0,0,1,1,0,0|1,0,0]=3 144 B16R2.375751 Nc1cc(nc([n+]1[O-])N)SCC2CCO2 62a_200000004042_100000103362 [0,0,1,1,0,0|2,0,0]=4 145 B16R2.375751 Nc1cc(nc([n+]1[O-])N)SCC2COC2 62a_200000004042_100010264016 [0,0,1,1,0,0|2,0,0]=4 146 B16R2.375769 Nc1cc(nc([n+]1[O-])N)SCCC2CC2 62a_200000004042_100000764125 [0,0,1,1,0,0|1,0,0]=3 147 B16R2.375769 Nc1cc(nc([n+]1[O-])N)SCCC2CO2 62a_200000004042_100000732470 [0,0,1,1,0,0|2,0,0]=4 148 B16R3.10322 Cc1cc(nc(n1)N)N2CC3CC3C2 27a_100000741873_100000183061 [1,0,0,1,0,0|1,0,1]=4 149 B16R3.10322 Cc1nc(cc(n1)N2CC3CC3C2)N 27a_100000741873_100000761517 [1,0,0,1,0,0|1,0,1]=4 150 B16R3.10322 Nc1nc(cc(n1)N2CC3CC3C2)O 27a_100000741873_100000694715 [1,0,0,1,0,0|1,0,1]=4 151 B16R3.10322 Nc1nc(nc(n1)N2CC3CC3C2)N 27a_100000741873_100000188858 [1,0,0,1,0,0|1,0,1]=4 152 B14R2.249 Cc1cc(nc(n1)N)N2CCCC2 27a_100000188435_100000183061 [1,0,0,0,1,0|1,0,1]=4 153 B14R2.249 Cc1nc(cc(n1)N2CCCC2)N 27a_100000188435_100000761517 [1,0,0,0,1,0|1,0,1]=4 154 B14R2.249 Nc1nc(cc(n1)N2CCCC2)O 27a_100000188435_100000694715 [1,0,0,0,1,0|1,0,1]=4 155 B14R2.249 Nc1nc(nc(n1)N2CCCC2)N 27a_100000188435_100000188858 [1,0,0,0,1,0|1,0,1]=4 156 B16R1.134 CCCC(CC)Sc1cc([n+](c(n1)N)[O-])N 62a_200000004042_100011219200 [0,0,1,0,0,1|1,0,0]=3 157 B16R2.2822 Nc1cc(nc(n1)N)SC2CCCCC2 62a_100000212091_100000210327 [1,0,0,0,0,1|1,0,1]=4 158 B16R2.11343 Cc1cc(nc(n1)N)N2CCCCCC2 27a_100000185865_100000183061 [1,0,0,0,0,1|1,0,1]=4 159 B16R2.11343 Cc1cc(nc(n1)N)N2CCCOCC2 27a_100000685342_100000183061 [1,0,0,0,0,1|1,0,1]=4 160 B16R2.11343 Cc1nc(cc(n1)N2CCCCCC2)N 27a_100000185865_100000761517 [1,0,0,0,0,1|1,0,1]=4 161 B16R2.11343 Cc1nc(cc(n1)N2CCCOCC2)N 27a_100000685342_100000761517 [1,0,0,0,0,1|1,0,1]=4 162 B16R2.11343 Nc1cc(nc(n1)N)C2=CCCCCC2 271570a_200009888920_100011177858 [1,0,0,0,0,1|1,0,1]=4 163 B16R2.11343 Nc1nc(cc(n1)N2CCCCCC2)O 27a_100000185865_100000694715 [1,0,0,0,0,1|1,0,1]=4 164 B16R2.11343 Nc1nc(cc(n1)N2CCCOCC2)O 27a_100000685342_100000694715 [1,0,0,0,0,1|1,0,1]=4 165 B16R2.11343 Nc1nc(nc(n1)N2CCCCCC2)N 27a_100000185865_100000188858 [1,0,0,0,0,1|1,0,1]=4 166 B16R2.11343 Nc1nc(nc(n1)N2CCCOCC2)N 27a_100000685342_100000188858 [1,0,0,0,0,1|1,0,1]=4 167 B18R2.38706 Nc1cc(nc([n+]1[O-])N)C=CC2=CCCCC2 271570a_100000069214_200000004042 [0,0,0,0,0,2|1,0,1]=4 168 B18R2.38706 Nc1cc(nc([n+]1[O-])N)C=CC2CCCCC2 271570a_100016283615_200000004042 [0,0,0,0,0,2|1,0,0]=3 169 B18R2.38706 Nc1cc(nc([n+]1[O-])N)SCC2CCCCC2 62a_200000004042_100000211423 [0,0,0,0,0,2|1,0,0]=3 170 B18R2.38706 Nc1cc(nc([n+]1[O-])N)SCC2CCCCO2 62a_200000004042_100000211543 [0,0,0,0,0,2|2,0,0]=4 171 B18R2.38706 Nc1cc(nc([n+]1[O-])N)SCC2CCCOC2 62a_200000004042_100000741521 [0,0,0,0,0,2|2,0,0]=4 172 B18R2.38706 Nc1cc(nc([n+]1[O-])N)SCC2CCOCC2 62a_200000004042_100000749018 [0,0,0,0,0,2|2,0,0]=4 173 B18R2.3034648 Nc1cc(nc([n+]1[O-])N)SC2CCCCCC2 62a_200000004042_100011217769 [0,0,0,0,0,2|1,0,0]=3