0 B17R2.86762 C#CCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000755551_100009847449 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.86762 C#CCCNc1ncnc2c1c(c[nH]2)CC 27a_100000755551_100009876448 [0,0,0,0,0,0|2,0,1]=3 2 B17R2.86762 C#CCCSc1ncnc2c1c(c[nH]2)CC 62a_100000688953_100009876448 [0,0,0,0,0,0|3,0,1]=4 3 B17R2.86762 C=CCCNc1ncnc2c1c(c[nH]2)C#N 27a_100015191253_100009847449 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.86762 C=CCCNc1ncnc2c1c(c[nH]2)CC 27a_100015191253_100009876448 [0,0,0,0,0,0|2,0,1]=3 5 B17R2.86762 C=CCCSc1ncnc2c1c(c[nH]2)CC 62a_100000754431_100009876448 [0,0,0,0,0,0|3,0,1]=4 6 B17R2.86762 CC#CCNc1ncnc2c1c(c[nH]2)CC 27a_100000685387_100009876448 [0,0,0,0,0,0|2,0,2]=4 7 B17R2.86762 CCCC=Cc1ncnc2c1c(c[nH]2)CC 271570a_100016258520_100009876448 [0,0,0,0,0,0|3,0,1]=4 8 B17R2.86762 CCCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000102301_100009847449 [0,0,0,0,0,0|3,0,0]=3 9 B17R2.86762 CCCCNc1ncnc2c1c(c[nH]2)CC 27a_100000102301_100009876448 [0,0,0,0,0,0|2,0,0]=2 10 B17R2.86762 CCCCSc1ncnc2c1c(c[nH]2)C#N 62a_100000210211_100009847449 [0,0,0,0,0,0|4,0,0]=4 11 B17R2.86762 CCCCSc1ncnc2c1c(c[nH]2)C=O 62a_100000210211_100009849210 [0,0,0,0,0,0|4,0,0]=4 12 B17R2.86762 CCCCSc1ncnc2c1c(c[nH]2)CC 62a_100000210211_100009876448 [0,0,0,0,0,0|3,0,0]=3 13 B17R2.86762 CCOCSc1ncnc2c1c(c[nH]2)CC 62a_100000739092_100009876448 [0,0,0,0,0,0|4,0,0]=4 14 B17R2.86762 CCc1c[nH]c2c1c(ncn2)NCCC#N 27a_100000720768_100009876448 [0,0,0,0,0,0|2,0,1]=3 15 B17R2.86762 CCc1c[nH]c2c1c(ncn2)NCCCF 27a_100015189416_100009876448 [0,0,0,0,0,0|2,0,0]=2 16 B17R2.86762 CCc1c[nH]c2c1c(ncn2)NCCCO 27a_100000182051_100009876448 [0,0,0,0,0,0|1,0,0]=1 17 B17R2.86762 CCc1c[nH]c2c1c(ncn2)NCCOC 27a_100000209980_100009876448 [0,0,0,0,0,0|3,0,0]=3 18 B17R2.86762 CCc1c[nH]c2c1c(ncn2)NCCSC 27a_100020590264_100009876448 [0,0,0,0,0,0|3,0,0]=3 19 B17R2.86762 CCc1c[nH]c2c1c(ncn2)SCCC#N 62a_100011215226_100009876448 [0,0,0,0,0,0|3,0,1]=4 20 B17R2.86762 CCc1c[nH]c2c1c(ncn2)SCCCF 62a_100011934791_100009876448 [0,0,0,0,0,0|3,0,0]=3 21 B17R2.86762 CCc1c[nH]c2c1c(ncn2)SCCCO 62a_100011215043_100009876448 [0,0,0,0,0,0|2,0,0]=2 22 B17R2.86762 CCc1c[nH]c2c1c(ncn2)SCCOC 62a_100000233755_100009876448 [0,0,0,0,0,0|4,0,0]=4 23 B17R2.86762 CCc1c[nH]c2c1c(ncn2)SCCSC 62a_100000212216_100009876448 [0,0,0,0,0,0|4,0,0]=4 24 B17R2.86762 COCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000209980_100009847449 [0,0,0,0,0,0|4,0,0]=4 25 B17R2.86762 CSCCNc1ncnc2c1c(c[nH]2)C#N 27a_100020590264_100009847449 [0,0,0,0,0,0|4,0,0]=4 26 B17R2.86762 N#CCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000720768_100009847449 [0,0,0,0,0,0|3,0,1]=4 27 B17R2.86762 N#Cc1c[nH]c2c1c(ccn2)SCCCO 62a_100011215043_100102525082 [0,0,0,0,0,0|4,0,0]=4 28 B17R2.86762 N#Cc1c[nH]c2c1c(ncn2)NCCCF 27a_100015189416_100009847449 [0,0,0,0,0,0|3,0,0]=3 29 B17R2.86762 N#Cc1c[nH]c2c1c(ncn2)NCCCO 27a_100000182051_100009847449 [0,0,0,0,0,0|2,0,0]=2 30 B17R2.86762 N#Cc1c[nH]c2c1c(ncn2)SCCCF 62a_100011934791_100009847449 [0,0,0,0,0,0|4,0,0]=4 31 B17R2.86762 N#Cc1c[nH]c2c1c(ncn2)SCCCO 62a_100011215043_100009847449 [0,0,0,0,0,0|3,0,0]=3 32 B17R2.86762 O=Cc1c[nH]c2c1c(ncn2)SCCCF 62a_100011934791_100009849210 [0,0,0,0,0,0|4,0,0]=4 33 B17R2.86762 O=Cc1c[nH]c2c1c(ncn2)SCCCO 62a_100011215043_100009849210 [0,0,0,0,0,0|3,0,0]=3 34 B16R2.6353 C#CCCNc1ncnc2c1c(c[nH]2)C 27a_100000755551_100000092391 [1,0,0,0,0,0|1,0,1]=3 35 B16R2.6353 C#CCCNc1ncnc2c1c(c[nH]2)F 27a_100000755551_100009880486 [1,0,0,0,0,0|2,0,1]=4 36 B16R2.6353 C#CCCNc1ncnc2c1c(cs2)C 27a_100000755551_100000040732 [1,0,0,0,0,0|2,0,1]=4 37 B16R2.6353 C#CCCSc1ncnc2c1c(c[nH]2)C 62a_100000688953_100000092391 [1,0,0,0,0,0|2,0,1]=4 38 B16R2.6353 C=CCCNc1ncnc2c1c(c[nH]2)C 27a_100015191253_100000092391 [1,0,0,0,0,0|1,0,1]=3 39 B16R2.6353 C=CCCNc1ncnc2c1c(c[nH]2)F 27a_100015191253_100009880486 [1,0,0,0,0,0|2,0,1]=4 40 B16R2.6353 C=CCCNc1ncnc2c1c(cs2)C 27a_100015191253_100000040732 [1,0,0,0,0,0|2,0,1]=4 41 B16R2.6353 C=CCCSc1ncnc2c1c(c[nH]2)C 62a_100000754431_100000092391 [1,0,0,0,0,0|2,0,1]=4 42 B16R2.6353 CC#CCNc1ncnc2c1c(c[nH]2)C 27a_100000685387_100000092391 [1,0,0,0,0,0|1,0,2]=4 43 B16R2.6353 CCCC=Cc1ncnc2c1c(c[nH]2)C 271570a_100016258520_100000092391 [1,0,0,0,0,0|2,0,1]=4 44 B16R2.6353 CCCCNc1ncnc2c1c(c[nH]2)C 27a_100000102301_100000092391 [1,0,0,0,0,0|1,0,0]=2 45 B16R2.6353 CCCCNc1ncnc2c1c(c[nH]2)F 27a_100000102301_100009880486 [1,0,0,0,0,0|2,0,0]=3 46 B16R2.6353 CCCCNc1ncnc2c1c(cs2)C 27a_100000102301_100000040732 [1,0,0,0,0,0|2,0,0]=3 47 B16R2.6353 CCCCNc1ncnc2c1n(cc2)C 27a_100000102301_100009847513 [1,0,0,0,0,0|3,0,0]=4 48 B16R2.6353 CCCCNc1ncnc2c1n(cn2)C 27a_100000102301_100000078800 [1,0,0,0,0,0|2,0,1]=4 49 B16R2.6353 CCCCSc1ccnc2c1c(c[nH]2)C 62a_100000210211_100010724702 [1,0,0,0,0,0|3,0,0]=4 50 B16R2.6353 CCCCSc1ncnc2c1c(c[nH]2)C 62a_100000210211_100000092391 [1,0,0,0,0,0|2,0,0]=3 51 B16R2.6353 CCCCSc1ncnc2c1c(c[nH]2)F 62a_100000210211_100009880486 [1,0,0,0,0,0|3,0,0]=4 52 B16R2.6353 CCCCSc1ncnc2c1c(cs2)C 62a_100000210211_100000040732 [1,0,0,0,0,0|3,0,0]=4 53 B16R2.6353 CCOCSc1ncnc2c1c(c[nH]2)C 62a_100000739092_100000092391 [1,0,0,0,0,0|3,0,0]=4 54 B16R2.6353 COCCNc1ncnc2c1c(c[nH]2)C 27a_100000209980_100000092391 [1,0,0,0,0,0|2,0,0]=3 55 B16R2.6353 COCCNc1ncnc2c1c(c[nH]2)F 27a_100000209980_100009880486 [1,0,0,0,0,0|3,0,0]=4 56 B16R2.6353 COCCNc1ncnc2c1c(cs2)C 27a_100000209980_100000040732 [1,0,0,0,0,0|3,0,0]=4 57 B16R2.6353 COCCSc1ncnc2c1c(c[nH]2)C 62a_100000233755_100000092391 [1,0,0,0,0,0|3,0,0]=4 58 B16R2.6353 CSCCNc1ncnc2c1c(c[nH]2)C 27a_100020590264_100000092391 [1,0,0,0,0,0|2,0,0]=3 59 B16R2.6353 CSCCNc1ncnc2c1c(c[nH]2)F 27a_100020590264_100009880486 [1,0,0,0,0,0|3,0,0]=4 60 B16R2.6353 CSCCNc1ncnc2c1c(cs2)C 27a_100020590264_100000040732 [1,0,0,0,0,0|3,0,0]=4 61 B16R2.6353 CSCCSc1ncnc2c1c(c[nH]2)C 62a_100000212216_100000092391 [1,0,0,0,0,0|3,0,0]=4 62 B16R2.6353 Cc1c[nH]c2c1c(ccc2)SCCCO 62a_100011215043_100010194227 [1,0,0,0,0,0|3,0,0]=4 63 B16R2.6353 Cc1c[nH]c2c1c(ccn2)SCCCF 62a_100011934791_100010724702 [1,0,0,0,0,0|3,0,0]=4 64 B16R2.6353 Cc1c[nH]c2c1c(ccn2)SCCCO 62a_100011215043_100010724702 [1,0,0,0,0,0|2,0,0]=3 65 B16R2.6353 Cc1c[nH]c2c1c(ncn2)NCCC#N 27a_100000720768_100000092391 [1,0,0,0,0,0|1,0,1]=3 66 B16R2.6353 Cc1c[nH]c2c1c(ncn2)NCCCF 27a_100015189416_100000092391 [1,0,0,0,0,0|1,0,0]=2 67 B16R2.6353 Cc1c[nH]c2c1c(ncn2)NCCCO 27a_100000182051_100000092391 [1,0,0,0,0,0|0,0,0]=1 68 B16R2.6353 Cc1c[nH]c2c1c(ncn2)SCCC#N 62a_100011215226_100000092391 [1,0,0,0,0,0|2,0,1]=4 69 B16R2.6353 Cc1c[nH]c2c1c(ncn2)SCCCF 62a_100011934791_100000092391 [1,0,0,0,0,0|2,0,0]=3 70 B16R2.6353 Cc1c[nH]c2c1c(ncn2)SCCCO 62a_100011215043_100000092391 [1,0,0,0,0,0|1,0,0]=2 71 B16R2.6353 Cc1csc2c1c(ncn2)NCCC#N 27a_100000720768_100000040732 [1,0,0,0,0,0|2,0,1]=4 72 B16R2.6353 Cc1csc2c1c(ncn2)NCCCF 27a_100015189416_100000040732 [1,0,0,0,0,0|2,0,0]=3 73 B16R2.6353 Cc1csc2c1c(ncn2)NCCCO 27a_100000182051_100000040732 [1,0,0,0,0,0|1,0,0]=2 74 B16R2.6353 Cc1csc2c1c(ncn2)SCCCF 62a_100011934791_100000040732 [1,0,0,0,0,0|3,0,0]=4 75 B16R2.6353 Cc1csc2c1c(ncn2)SCCCO 62a_100011215043_100000040732 [1,0,0,0,0,0|2,0,0]=3 76 B16R2.6353 Cn1ccc2c1c(ncn2)NCCCF 27a_100015189416_100009847513 [1,0,0,0,0,0|3,0,0]=4 77 B16R2.6353 Cn1ccc2c1c(ncn2)NCCCO 27a_100000182051_100009847513 [1,0,0,0,0,0|2,0,0]=3 78 B16R2.6353 Cn1ccc2c1c(ncn2)SCCCO 62a_100011215043_100009847513 [1,0,0,0,0,0|3,0,0]=4 79 B16R2.6353 Cn1cnc2c1c(ncn2)NCCCF 27a_100015189416_100000078800 [1,0,0,0,0,0|2,0,1]=4 80 B16R2.6353 Cn1cnc2c1c(ncn2)NCCCO 27a_100000182051_100000078800 [1,0,0,0,0,0|1,0,1]=3 81 B16R2.6353 Cn1cnc2c1c(ncn2)SCCCO 62a_100011215043_100000078800 [1,0,0,0,0,0|2,0,1]=4 82 B16R2.6353 Cn1ncc2c1c(ncn2)NCCCO 27a_100000182051_100000098498 [1,0,0,0,0,0|3,0,0]=4 83 B16R2.6353 FCCCNc1ncnc2c1c(c[nH]2)F 27a_100015189416_100009880486 [1,0,0,0,0,0|2,0,0]=3 84 B16R2.6353 FCCCSc1ncnc2c1c(c[nH]2)F 62a_100011934791_100009880486 [1,0,0,0,0,0|3,0,0]=4 85 B16R2.6353 N#CCCNc1ncnc2c1c(c[nH]2)F 27a_100000720768_100009880486 [1,0,0,0,0,0|2,0,1]=4 86 B16R2.6353 OCCCNc1ncnc2c1c(c[nH]2)F 27a_100000182051_100009880486 [1,0,0,0,0,0|1,0,0]=2 87 B16R2.6353 OCCCSc1ncnc2c1c(c[nH]2)F 62a_100011215043_100009880486 [1,0,0,0,0,0|2,0,0]=3 88 B16R2.32148 C#CCNc1ncnc2c1c(c[nH]2)CC 27a_100000212058_100009876448 [1,0,0,0,0,0|1,0,2]=4 89 B16R2.32148 C=CCNc1ncnc2c1c(c[nH]2)CC 27a_100020586998_100009876448 [1,0,0,0,0,0|1,0,2]=4 90 B16R2.32148 CCCCc1ncnc2c1c(c[nH]2)C#N 271570a_100020621405_100009847449 [1,0,0,0,0,0|3,0,0]=4 91 B16R2.32148 CCCCc1ncnc2c1c(c[nH]2)CC 271570a_100020621405_100009876448 [1,0,0,0,0,0|2,0,0]=3 92 B16R2.32148 CCCSc1ncnc2c1c(c[nH]2)C#N 62a_100000210303_100009847449 [1,0,0,0,0,0|3,0,0]=4 93 B16R2.32148 CCCSc1ncnc2c1c(c[nH]2)C=O 62a_100000210303_100009849210 [1,0,0,0,0,0|3,0,0]=4 94 B16R2.32148 CCCSc1ncnc2c1c(c[nH]2)CC 62a_100000210303_100009876448 [1,0,0,0,0,0|2,0,0]=3 95 B16R2.32148 CCc1c[nH]c2c1c(ncn2)NCCO 27a_100000210304_100009876448 [1,0,0,0,0,0|1,0,0]=2 96 B16R2.32148 CCc1c[nH]c2c1c(ncn2)SCCF 62a_100011217306_100009876448 [1,0,0,0,0,0|3,0,0]=4 97 B16R2.32148 CCc1c[nH]c2c1c(ncn2)SCCO 62a_100000211926_100009876448 [1,0,0,0,0,0|2,0,0]=3 98 B16R2.32148 CCc1c[nH]c2c1c(ncn2)SCOC 62a_100000766300_100009876448 [1,0,0,0,0,0|3,0,0]=4 99 B16R2.32148 CCc1c[nH]c2c1c(ncn2)SCSC 62a_100011218213_100009876448 [1,0,0,0,0,0|3,0,0]=4 100 B16R2.32148 N#Cc1c[nH]c2c1c(ncn2)NCCO 27a_100000210304_100009847449 [1,0,0,0,0,0|2,0,0]=3 101 B16R2.32148 N#Cc1c[nH]c2c1c(ncn2)SCCO 62a_100000211926_100009847449 [1,0,0,0,0,0|3,0,0]=4 102 B16R2.32148 O=Cc1c[nH]c2c1c(ncn2)SCCO 62a_100000211926_100009849210 [1,0,0,0,0,0|3,0,0]=4 103 B18R2.145789 C#CCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000755551_100010365573 [0,1,0,0,0,0|2,0,1]=4 104 B18R2.145789 C=CCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100015191253_100010365573 [0,1,0,0,0,0|2,0,1]=4 105 B18R2.145789 CC(=O)c1c[nH]c2c1c(ncn2)NCCC#N 27a_100000720768_100010365573 [0,1,0,0,0,0|2,0,1]=4 106 B18R2.145789 CC(=O)c1c[nH]c2c1c(ncn2)NCCCF 27a_100015189416_100010365573 [0,1,0,0,0,0|2,0,0]=3 107 B18R2.145789 CC(=O)c1c[nH]c2c1c(ncn2)NCCCO 27a_100000182051_100010365573 [0,1,0,0,0,0|1,0,0]=2 108 B18R2.145789 CC(=O)c1c[nH]c2c1c(ncn2)SCCCF 62a_100011934791_100010365573 [0,1,0,0,0,0|3,0,0]=4 109 B18R2.145789 CC(=O)c1c[nH]c2c1c(ncn2)SCCCO 62a_100011215043_100010365573 [0,1,0,0,0,0|2,0,0]=3 110 B18R2.145789 CCCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000102301_100010365573 [0,1,0,0,0,0|2,0,0]=3 111 B18R2.145789 CCCCSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100000210211_100010365573 [0,1,0,0,0,0|3,0,0]=4 112 B18R2.145789 COCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000209980_100010365573 [0,1,0,0,0,0|3,0,0]=4 113 B18R2.145789 CSCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100020590264_100010365573 [0,1,0,0,0,0|3,0,0]=4 114 B18R2.268093 C#CCCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000718082_100009847449 [0,1,0,0,0,0|3,0,0]=4 115 B18R2.268093 C#CCCCNc1ncnc2c1c(c[nH]2)CC 27a_100000718082_100009876448 [0,1,0,0,0,0|2,0,0]=3 116 B18R2.268093 C#CCCCSc1ncnc2c1c(c[nH]2)CC 62a_100011215417_100009876448 [0,1,0,0,0,0|3,0,0]=4 117 B18R2.268093 C=CCCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000700776_100009847449 [0,1,0,0,0,0|3,0,0]=4 118 B18R2.268093 C=CCCCNc1ncnc2c1c(c[nH]2)CC 27a_100000700776_100009876448 [0,1,0,0,0,0|2,0,0]=3 119 B18R2.268093 C=CCCCSc1ncnc2c1c(c[nH]2)CC 62a_100011713584_100009876448 [0,1,0,0,0,0|3,0,0]=4 120 B18R2.268093 CCCCC=Cc1ncnc2c1c(c[nH]2)CC 271570a_100016275911_100009876448 [0,1,0,0,0,0|3,0,0]=4 121 B18R2.268093 CCCCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000209983_100009847449 [0,1,0,0,0,0|3,0,0]=4 122 B18R2.268093 CCCCCNc1ncnc2c1c(c[nH]2)CC 27a_100000209983_100009876448 [0,1,0,0,0,0|2,0,0]=3 123 B18R2.268093 CCCCCSc1ncnc2c1c(c[nH]2)CC 62a_100000210326_100009876448 [0,1,0,0,0,0|3,0,0]=4 124 B18R2.268093 CCOCCNc1ncnc2c1c(c[nH]2)C#N 27a_100011200944_100009847449 [0,1,0,0,0,0|3,0,0]=4 125 B18R2.268093 CCOCCNc1ncnc2c1c(c[nH]2)CC 27a_100011200944_100009876448 [0,1,0,0,0,0|2,0,0]=3 126 B18R2.268093 CCOCCSc1ncnc2c1c(c[nH]2)CC 62a_100000210147_100009876448 [0,1,0,0,0,0|3,0,0]=4 127 B18R2.268093 CCSCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000106463_100009847449 [0,1,0,0,0,0|3,0,0]=4 128 B18R2.268093 CCSCCNc1ncnc2c1c(c[nH]2)CC 27a_100000106463_100009876448 [0,1,0,0,0,0|2,0,0]=3 129 B18R2.268093 CCSCCSc1ncnc2c1c(c[nH]2)CC 62a_100000757381_100009876448 [0,1,0,0,0,0|3,0,0]=4 130 B18R2.268093 CCc1c[nH]c2c1c(ncn2)NCCCCO 27a_100000750430_100009876448 [0,1,0,0,0,0|1,0,0]=2 131 B18R2.268093 CCc1c[nH]c2c1c(ncn2)NCCCOC 27a_100150723488_100009876448 [0,1,0,0,0,0|1,0,0]=2 132 B18R2.268093 CCc1c[nH]c2c1c(ncn2)NCCCSC 27a_100000749238_100009876448 [0,1,0,0,0,0|1,1,0]=3 133 B18R2.268093 CCc1c[nH]c2c1c(ncn2)SCC#CCO 62a_200000047223_100009876448 [0,1,0,0,0,0|2,0,1]=4 134 B18R2.268093 CCc1c[nH]c2c1c(ncn2)SCCCC#N 62a_100000687738_100009876448 [0,1,0,0,0,0|3,0,0]=4 135 B18R2.268093 CCc1c[nH]c2c1c(ncn2)SCCCC=O 62a_200011292268_100009876448 [0,1,0,0,0,0|2,0,1]=4 136 B18R2.268093 CCc1c[nH]c2c1c(ncn2)SCCCCF 62a_100000729493_100009876448 [0,1,0,0,0,0|3,0,0]=4 137 B18R2.268093 CCc1c[nH]c2c1c(ncn2)SCCCCO 62a_100000210776_100009876448 [0,1,0,0,0,0|2,0,0]=3 138 B18R2.268093 CCc1c[nH]c2c1c(ncn2)SCCCOC 62a_100000709357_100009876448 [0,1,0,0,0,0|2,0,0]=3 139 B18R2.268093 COCCCNc1ncnc2c1c(c[nH]2)C#N 27a_100150723488_100009847449 [0,1,0,0,0,0|2,0,0]=3 140 B18R2.268093 COCCCSc1ncnc2c1c(c[nH]2)C#N 62a_100000709357_100009847449 [0,1,0,0,0,0|3,0,0]=4 141 B18R2.268093 COCCCSc1ncnc2c1c(c[nH]2)C=O 62a_100000709357_100009849210 [0,1,0,0,0,0|3,0,0]=4 142 B18R2.268093 CSCCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000749238_100009847449 [0,1,0,0,0,0|2,1,0]=4 143 B18R2.268093 N#Cc1c[nH]c2c1c(ncn2)NCCCCO 27a_100000750430_100009847449 [0,1,0,0,0,0|2,0,0]=3 144 B18R2.268093 N#Cc1c[nH]c2c1c(ncn2)SCCCCO 62a_100000210776_100009847449 [0,1,0,0,0,0|3,0,0]=4 145 B18R2.268093 O=Cc1c[nH]c2c1c(ncn2)SCCCCO 62a_100000210776_100009849210 [0,1,0,0,0,0|3,0,0]=4 146 B18R2.622812 CC(CCO)Sc1ncnc2c1c(c[nH]2)C#N 62a_100009893172_100009847449 [0,1,0,0,0,0|3,0,0]=4 147 B18R2.622812 CC(CCO)Sc1ncnc2c1c(c[nH]2)C=O 62a_100009893172_100009849210 [0,1,0,0,0,0|3,0,0]=4 148 B18R2.622812 CCCC(C)Nc1ncnc2c1c(c[nH]2)C#N 27a_100000741246_100009847449 [0,1,0,0,0,0|3,0,0]=4 149 B18R2.622812 CCCC(C)Nc1ncnc2c1c(c[nH]2)CC 27a_100000741246_100009876448 [0,1,0,0,0,0|2,0,0]=3 150 B18R2.622812 CCCC(C)Sc1ncnc2c1c(c[nH]2)CC 62a_100000766640_100009876448 [0,1,0,0,0,0|3,0,0]=4 151 B18R2.622812 CCc1c[nH]c2c1c(ncn2)N[C@@H](C)CC#N 27a_100016994482_100009876448 [0,1,0,0,0,0|2,0,1]=4 152 B18R2.622812 CCc1c[nH]c2c1c(ncn2)N[C@H](C)CCO 27a_100000706166_100009876448 [0,1,0,0,0,0|1,0,0]=2 153 B18R2.622812 CCc1c[nH]c2c1c(ncn2)N[C@H](C)COC 27a_100000764878_100009876448 [0,1,0,0,0,0|3,0,0]=4 154 B18R2.622812 CCc1c[nH]c2c1c(ncn2)SC(C)CCO 62a_100009893172_100009876448 [0,1,0,0,0,0|2,0,0]=3 155 B18R2.622812 C[C@H](CCO)Nc1ncnc2c1c(c[nH]2)C#N 27a_100000706166_100009847449 [0,1,0,0,0,0|2,0,0]=3 156 B18R2.859145 CC(C)CCNc1ncnc2c1c(c[nH]2)C#N 27a_100000210545_100009847449 [0,1,0,0,0,0|3,0,0]=4 157 B18R2.859145 CC(O)CCNc1ncnc2c1c(c[nH]2)C#N 27a_200000755665_100009847449 [0,1,0,0,0,0|2,0,0]=3 158 B18R2.859145 CC(O)CCSc1ncnc2c1c(c[nH]2)C#N 62a_100012276601_100009847449 [0,1,0,0,0,0|3,0,0]=4 159 B18R2.859145 CC(O)CCSc1ncnc2c1c(c[nH]2)C=O 62a_100012276601_100009849210 [0,1,0,0,0,0|3,0,0]=4 160 B18R2.859145 CCc1c[nH]c2c1c(ncn2)NCCC(=O)N 27a_100000740010_100009876448 [0,1,0,0,0,0|1,0,2]=4 161 B18R2.859145 CCc1c[nH]c2c1c(ncn2)NCCC(C)C 27a_100000210545_100009876448 [0,1,0,0,0,0|2,0,0]=3 162 B18R2.859145 CCc1c[nH]c2c1c(ncn2)NCCC(C)O 27a_200000755665_100009876448 [0,1,0,0,0,0|1,0,0]=2 163 B18R2.859145 CCc1c[nH]c2c1c(ncn2)NCCN(C)C 27a_100000210585_100009876448 [0,1,0,0,0,0|3,0,0]=4 164 B18R2.859145 CCc1c[nH]c2c1c(ncn2)SCCC(C)C 62a_100000210312_100009876448 [0,1,0,0,0,0|3,0,0]=4 165 B18R2.859145 CCc1c[nH]c2c1c(ncn2)SCCC(C)O 62a_100012276601_100009876448 [0,1,0,0,0,0|2,0,0]=3 166 B18R2.859146 CC(CO)CNc1ncnc2c1c(c[nH]2)C#N 27a_100000744482_100009847449 [0,1,0,0,0,0|2,0,0]=3 167 B18R2.859146 CCC(C)CNc1ncnc2c1c(c[nH]2)C#N 27a_100020588543_100009847449 [0,1,0,0,0,0|3,0,0]=4 168 B18R2.859146 CCC(O)CNc1ncnc2c1c(c[nH]2)C#N 27a_100011218483_100009847449 [0,1,0,0,0,0|3,0,0]=4 169 B18R2.859146 CCc1c[nH]c2c1c(ncn2)NCC(C)CC 27a_100020588543_100009876448 [0,1,0,0,0,0|2,0,0]=3 170 B18R2.859146 CCc1c[nH]c2c1c(ncn2)NCC(C)CO 27a_100000744482_100009876448 [0,1,0,0,0,0|1,0,0]=2 171 B18R2.859146 CCc1c[nH]c2c1c(ncn2)NCC(O)CC 27a_100011218483_100009876448 [0,1,0,0,0,0|2,0,0]=3 172 B18R2.859146 CCc1c[nH]c2c1c(ncn2)NC[C@@H](C)OC 27a_100020591295_100009876448 [0,1,0,0,0,0|3,0,0]=4 173 B18R2.859146 CCc1c[nH]c2c1c(ncn2)NC[C@@H](F)CO 27a_100015665980_100009876448 [0,1,0,0,0,0|1,0,0]=2 174 B18R2.859146 CCc1c[nH]c2c1c(ncn2)NC[C@H](O)CO 27a_100020644852_100009876448 [0,1,0,0,0,0|1,0,0]=2 175 B18R2.859146 CCc1c[nH]c2c1c(ncn2)SCC(C)CC 62a_100000748023_100009876448 [0,1,0,0,0,0|3,0,0]=4 176 B18R2.859146 CCc1c[nH]c2c1c(ncn2)SCC(O)CC 62a_100011218378_100009876448 [0,1,0,0,0,0|3,0,0]=4 177 B18R2.859146 CCc1c[nH]c2c1c(ncn2)SCC(O)CO 62a_100011219619_100009876448 [0,1,0,0,0,0|2,0,0]=3 178 B18R2.859146 CCc1c[nH]c2c1c(ncn2)SC[C@@H](C)CC 62a_100009816398_100009876448 [0,1,0,0,0,0|3,0,0]=4 179 B18R2.859146 CCc1c[nH]c2c1c(ncn2)SC[C@@H](C)CO 62a_100000059175_100009876448 [0,1,0,0,0,0|2,0,0]=3 180 B18R2.859146 CCc1c[nH]c2c1c(ncn2)SC[C@@H](O)CF 62a_100015614560_100009876448 [0,1,0,0,0,0|3,0,0]=4 181 B18R2.859146 CCc1c[nH]c2c1c(ncn2)SC[C@@H](O)CO 62a_100009815848_100009876448 [0,1,0,0,0,0|2,0,0]=3 182 B18R2.859146 C[C@@H](CO)CSc1ncnc2c1c(c[nH]2)C#N 62a_100000059175_100009847449 [0,1,0,0,0,0|3,0,0]=4 183 B18R2.859146 C[C@@H](CO)CSc1ncnc2c1c(c[nH]2)C=O 62a_100000059175_100009849210 [0,1,0,0,0,0|3,0,0]=4 184 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@@H](F)CO 27a_100015665980_100009847449 [0,1,0,0,0,0|2,0,0]=3 185 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)NC[C@H](O)CO 27a_100020644852_100009847449 [0,1,0,0,0,0|2,0,0]=3 186 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)SCC(O)CO 62a_100011219619_100009847449 [0,1,0,0,0,0|3,0,0]=4 187 B18R2.859146 N#Cc1c[nH]c2c1c(ncn2)SC[C@@H](O)CO 62a_100009815848_100009847449 [0,1,0,0,0,0|3,0,0]=4 188 B18R2.859146 O=Cc1c[nH]c2c1c(ncn2)SCC(O)CO 62a_100011219619_100009849210 [0,1,0,0,0,0|3,0,0]=4 189 B18R2.859146 O=Cc1c[nH]c2c1c(ncn2)SC[C@@H](O)CO 62a_100009815848_100009849210 [0,1,0,0,0,0|3,0,0]=4 190 B18R2.886424 C=CCCN(C)c1ncnc2c1c(c[nH]2)CC 27a_100020639649_100009876448 [0,1,0,0,0,0|2,0,1]=4 191 B18R2.886424 CCCCN(C)c1ncnc2c1c(c[nH]2)C#N 27a_100000207549_100009847449 [0,1,0,0,0,0|3,0,0]=4 192 B18R2.886424 CCCCN(C)c1ncnc2c1c(c[nH]2)CC 27a_100000207549_100009876448 [0,1,0,0,0,0|2,0,0]=3 193 B18R2.886424 CCc1c[nH]c2c1c(ncn2)N(C)CCC#N 27a_100000184479_100009876448 [0,1,0,0,0,0|2,0,1]=4 194 B18R2.886424 CCc1c[nH]c2c1c(ncn2)N(C)CCCO 27a_100000213112_100009876448 [0,1,0,0,0,0|1,0,0]=2 195 B18R2.886424 CCc1c[nH]c2c1c(ncn2)N(C)CCOC 27a_100000743101_100009876448 [0,1,0,0,0,0|3,0,0]=4 196 B18R2.886424 CCc1c[nH]c2c1c(ncn2)N(C)CCSC 27a_100000686725_100009876448 [0,1,0,0,0,0|3,0,0]=4 197 B18R2.886424 CN(CCCO)c1ncnc2c1c(c[nH]2)C#N 27a_100000213112_100009847449 [0,1,0,0,0,0|2,0,0]=3 198 B16R1.1409 CCCCNc1cc(ncn1)NCCCO 27a_100000182051_200011210052 [0,0,1,0,0,0|1,0,2]=4 199 B16R1.1409 CCCCNc1cc(ncn1)NCCSC 27a_100020590264_200011210052 [0,0,1,0,0,0|1,0,2]=4 200 B16R1.60099 COC(=O)c1c(ncnc1SCCCO)N 62a_100011215043_200021259019 [0,0,1,0,0,0|2,1,0]=4 201 B16R1.60099 COC(=O)c1c(ncnc1SCCCO)N 62a_200021259019_100011215043 [0,0,1,0,0,0|2,1,0]=4 202 B18R3.172111 CCc1c[nH]c2c1c(ncn2)C3=CCCC3 271570a_100000089523_100009876448 [0,0,0,1,0,0|3,0,0]=4 203 B18R3.172111 CCc1c[nH]c2c1c(ncn2)N3CCCC3 27a_100000188435_100009876448 [0,0,0,1,0,0|2,0,0]=3 204 B18R3.172111 CCc1c[nH]c2c1c(ncn2)N3CCSC3 27a_100011215254_100009876448 [0,0,0,1,0,0|3,0,0]=4 205 B18R3.172111 N#Cc1c[nH]c2c1c(ncn2)N3CCCC3 27a_100000188435_100009847449 [0,0,0,1,0,0|3,0,0]=4 206 B18R3.1381231 CC1CCN1c2ncnc3c2c(c[nH]3)C#N 27a_100000755817_100009847449 [0,0,0,1,0,0|3,0,0]=4 207 B18R3.1381231 CCc1c[nH]c2c1c(ncn2)N3CCC3C 27a_100000755817_100009876448 [0,0,0,1,0,0|2,0,0]=3 208 B18R3.1381232 CCc1c[nH]c2c1c(ncn2)N[C@@H]3C[C@@H]3F 27a_100015190264_100009876448 [0,0,0,1,0,0|2,0,0]=3 209 B18R3.1381232 CCc1c[nH]c2c1c(ncn2)N[C@@H]3C[C@H]3F 27a_100025746932_100009876448 [0,0,0,1,0,0|2,0,0]=3 210 B18R3.1381232 N#Cc1c[nH]c2c1c(ncn2)N[C@@H]3C[C@@H]3F 27a_100015190264_100009847449 [0,0,0,1,0,0|3,0,0]=4 211 B18R3.1381232 N#Cc1c[nH]c2c1c(ncn2)N[C@@H]3C[C@H]3F 27a_100025746932_100009847449 [0,0,0,1,0,0|3,0,0]=4 212 B18R3.1381233 CCc1c[nH]c2c1c(ncn2)NC3CCC3 27a_100000749019_100009876448 [0,0,0,1,0,0|2,0,0]=3 213 B18R3.1381233 CCc1c[nH]c2c1c(ncn2)NC3COC3 27a_100016991112_100009876448 [0,0,0,1,0,0|3,0,0]=4 214 B18R3.1381233 CCc1c[nH]c2c1c(ncn2)NC3CSC3 27a_100016994217_100009876448 [0,0,0,1,0,0|3,0,0]=4 215 B18R3.1381233 N#Cc1c[nH]c2c1c(ncn2)NC3CCC3 27a_100000749019_100009847449 [0,0,0,1,0,0|3,0,0]=4 216 B18R3.1381236 CCc1c[nH]c2c1c(ncn2)NCC3CC3 27a_100000735609_100009876448 [0,0,0,1,0,0|2,0,0]=3 217 B18R3.1381236 CCc1c[nH]c2c1c(ncn2)SCC3CC3 62a_100000756562_100009876448 [0,0,0,1,0,0|3,0,0]=4 218 B18R3.1381236 CCc1c[nH]c2c1c(ncn2)SCC3CO3 62a_102125554688_100009876448 [0,0,0,1,0,0|2,0,0]=3 219 B18R3.1381236 CCc1c[nH]c2c1c(ncn2)SCC3CS3 62a_100000031435_100009876448 [0,0,0,1,0,0|2,1,0]=4 220 B18R3.1381236 CCc1c[nH]c2c1c(ncn2)SC[C@@H]3CO3 62a_100000745022_100009876448 [0,0,0,1,0,0|2,0,0]=3 221 B18R3.1381236 N#Cc1c[nH]c2c1c(ncn2)NCC3CC3 27a_100000735609_100009847449 [0,0,0,1,0,0|3,0,0]=4 222 B18R3.1381236 N#Cc1c[nH]c2c1c(ncn2)SCC3CO3 62a_102125554688_100009847449 [0,0,0,1,0,0|3,0,0]=4 223 B18R3.1381236 N#Cc1c[nH]c2c1c(ncn2)SC[C@@H]3CO3 62a_100000745022_100009847449 [0,0,0,1,0,0|3,0,0]=4 224 B18R3.1381236 O=Cc1c[nH]c2c1c(ncn2)SCC3CO3 62a_102125554688_100009849210 [0,0,0,1,0,0|3,0,0]=4 225 B18R3.1381236 O=Cc1c[nH]c2c1c(ncn2)SC[C@@H]3CO3 62a_100000745022_100009849210 [0,0,0,1,0,0|3,0,0]=4 226 B18R2.2430639 COc1cccc2c1c(ccn2)NCCCO 27a_100000182051_100010204250 [0,0,0,0,0,1|2,1,0]=4 227 B18R2.2430643 CCCCNc1ncnc2c1cc(cc2)OC 27a_100000102301_100011804145 [0,0,0,0,0,1|2,1,0]=4 228 B18R2.2430643 COc1ccc2ccnc(c2c1)NCCCO 27a_100000182051_100012348807 [0,0,0,0,0,1|2,1,0]=4 229 B18R2.2430643 COc1ccc2nccc(c2c1)NCCCO 27a_100000182051_100011310462 [0,0,0,0,0,1|2,1,0]=4 230 B18R2.2430643 COc1ccc2nccc(c2n1)NCCCO 27a_100000182051_100000090520 [0,0,0,0,0,1|2,1,0]=4 231 B18R2.2430643 COc1ccc2ncnc(c2c1)NCCCF 27a_100015189416_100011804145 [0,0,0,0,0,1|2,1,0]=4 232 B18R2.2430643 COc1ccc2ncnc(c2c1)NCCCO 27a_100000182051_100011804145 [0,0,0,0,0,1|1,1,0]=3 233 B18R2.2430643 COc1ccc2ncnc(c2c1)SCCCO 62a_100011215043_100011804145 [0,0,0,0,0,1|2,1,0]=4 234 B15R1.1181 CCCNc1cc(ncn1)NCCCO 27a_100000182051_100011443280 [1,0,1,0,0,0|0,0,2]=4 235 B15R1.1181 CCCNc1cc(ncn1)NCCSC 27a_100020590264_100011443280 [1,0,1,0,0,0|0,0,2]=4 236 B15R1.1181 CSCCNc1cc(ncn1)NCCO 27a_100020590264_200011443279 [1,0,1,0,0,0|0,0,2]=4 237 B15R1.1191 COC(=O)c1cncnc1NCCCO 27a_100000182051_100000726419 [1,0,1,0,0,0|1,1,0]=4 238 B15R1.32323 CNc1ncnc(c1C=O)NCCCO 27a_100000182051_200012279091 [1,0,1,0,0,0|0,1,1]=4 239 B15R2.1454 C#CCNc1ncnc2c1c(c[nH]2)C 27a_100000212058_100000092391 [2,0,0,0,0,0|0,0,2]=4 240 B15R2.1454 C=CCNc1ncnc2c1c(c[nH]2)C 27a_100020586998_100000092391 [2,0,0,0,0,0|0,0,2]=4 241 B15R2.1454 CCCCc1ccnc2c1c(c[nH]2)C 271570a_100020621405_100009849662 [2,0,0,0,0,0|2,0,0]=4 242 B15R2.1454 CCCCc1ncnc2c1c(c[nH]2)C 271570a_100020621405_100000092391 [2,0,0,0,0,0|1,0,0]=3 243 B15R2.1454 CCCCc1ncnc2c1c(cs2)C 271570a_100020621405_100000040732 [2,0,0,0,0,0|2,0,0]=4 244 B15R2.1454 CCCSc1ccnc2c1c(c[nH]2)C 62a_100000210303_100010724702 [2,0,0,0,0,0|2,0,0]=4 245 B15R2.1454 CCCSc1ncnc2c1c(c[nH]2)C 62a_100000210303_100000092391 [2,0,0,0,0,0|1,0,0]=3 246 B15R2.1454 CCCSc1ncnc2c1c(c[nH]2)F 62a_100000210303_100009880486 [2,0,0,0,0,0|2,0,0]=4 247 B15R2.1454 CCCSc1ncnc2c1c(cs2)C 62a_100000210303_100000040732 [2,0,0,0,0,0|2,0,0]=4 248 B15R2.1454 COCSc1ncnc2c1c(c[nH]2)C 62a_100000766300_100000092391 [2,0,0,0,0,0|2,0,0]=4 249 B15R2.1454 CSCSc1ncnc2c1c(c[nH]2)C 62a_100011218213_100000092391 [2,0,0,0,0,0|2,0,0]=4 250 B15R2.1454 Cc1c[nH]c2c1c(ccn2)SCCO 62a_100000211926_100010724702 [2,0,0,0,0,0|2,0,0]=4 251 B15R2.1454 Cc1c[nH]c2c1c(ncn2)NCCO 27a_100000210304_100000092391 [2,0,0,0,0,0|0,0,0]=2 252 B15R2.1454 Cc1c[nH]c2c1c(ncn2)SCCF 62a_100011217306_100000092391 [2,0,0,0,0,0|2,0,0]=4 253 B15R2.1454 Cc1c[nH]c2c1c(ncn2)SCCO 62a_100000211926_100000092391 [2,0,0,0,0,0|1,0,0]=3 254 B15R2.1454 Cc1csc2c1c(ncn2)NCCO 27a_100000210304_100000040732 [2,0,0,0,0,0|1,0,0]=3 255 B15R2.1454 Cc1csc2c1c(ncn2)SCCO 62a_100000211926_100000040732 [2,0,0,0,0,0|2,0,0]=4 256 B15R2.1454 Cn1ccc2c1c(ncn2)NCCO 27a_100000210304_100009847513 [2,0,0,0,0,0|2,0,0]=4 257 B15R2.1454 Cn1cnc2c1c(ncn2)NCCO 27a_100000210304_100000078800 [2,0,0,0,0,0|1,0,1]=4 258 B15R2.1454 OCCNc1ncnc2c1c(c[nH]2)F 27a_100000210304_100009880486 [2,0,0,0,0,0|1,0,0]=3 259 B15R2.1454 OCCSc1ncnc2c1c(c[nH]2)F 62a_100000211926_100009880486 [2,0,0,0,0,0|2,0,0]=4 260 B15R2.4278 CCCCNc1ncnc2c1cco2 27a_100000102301_100000094286 [2,0,0,0,0,0|2,0,0]=4 261 B15R2.4278 CCCCNc1ncnc2c1ccs2 27a_100000102301_100000183654 [2,0,0,0,0,0|2,0,0]=4 262 B15R2.4278 CCCCNc1ncnc2c1cn[nH]2 27a_100000102301_100000735611 [2,0,0,0,0,0|2,0,0]=4 263 B15R2.4278 FCCCNc1ncnc2c1cco2 27a_100015189416_100000094286 [2,0,0,0,0,0|2,0,0]=4 264 B15R2.4278 FCCCNc1ncnc2c1ccs2 27a_100015189416_100000183654 [2,0,0,0,0,0|2,0,0]=4 265 B15R2.4278 FCCCNc1ncnc2c1cn[nH]2 27a_100015189416_100000735611 [2,0,0,0,0,0|2,0,0]=4 266 B15R2.4278 OCCCNc1ccnc2c1ccs2 27a_100000182051_100009861243 [2,0,0,0,0,0|2,0,0]=4 267 B15R2.4278 OCCCNc1ccnc2c1nc[nH]2 27a_100000182051_100009820729 [2,0,0,0,0,0|2,0,0]=4 268 B15R2.4278 OCCCNc1nc[nH]c-2nccc12 27a_100000182051_100015350423 [2,0,0,0,0,0|0,0,2]=4 269 B15R2.4278 OCCCNc1nccc2c1cco2 27a_100000182051_100000041166 [2,0,0,0,0,0|2,0,0]=4 270 B15R2.4278 OCCCNc1nccc2c1ccs2 27a_100000182051_100000047778 [2,0,0,0,0,0|2,0,0]=4 271 B15R2.4278 OCCCNc1ncnc2c1CCN2 27a_100000182051_200000104052 [2,0,0,0,0,0|0,0,2]=4 272 B15R2.4278 OCCCNc1ncnc2c1[nH]cc2 27a_100000182051_100000084117 [2,0,0,0,0,0|2,0,0]=4 273 B15R2.4278 OCCCNc1ncnc2c1[nH]cn2 27a_100000182051_100011215200 [2,0,0,0,0,0|1,0,1]=4 274 B15R2.4278 OCCCNc1ncnc2c1cco2 27a_100000182051_100000094286 [2,0,0,0,0,0|1,0,0]=3 275 B15R2.4278 OCCCNc1ncnc2c1ccs2 27a_100000182051_100000183654 [2,0,0,0,0,0|1,0,0]=3 276 B15R2.4278 OCCCNc1ncnc2c1cn[nH]2 27a_100000182051_100000735611 [2,0,0,0,0,0|1,0,0]=3 277 B15R2.4278 OCCCNc1ncnc2c1ncs2 27a_100000182051_100009860286 [2,0,0,0,0,0|2,0,0]=4 278 B15R2.4278 OCCCNc1ncnc2c1scc2 27a_100000182051_100000234879 [2,0,0,0,0,0|2,0,0]=4 279 B15R2.4278 OCCCNc1ncnn2c1ccc2 27a_100000182051_100000104113 [2,0,0,0,0,0|2,0,0]=4 280 B15R2.4278 OCCCSc1ccnc2c1cc[nH]2 62a_100011215043_100000766882 [2,0,0,0,0,0|2,0,0]=4 281 B15R2.4278 OCCCSc1nccc2c1cc[nH]2 62a_100011215043_100000086534 [2,0,0,0,0,0|2,0,0]=4 282 B15R2.4278 OCCCSc1ncnc2c1cco2 62a_100011215043_100000094286 [2,0,0,0,0,0|2,0,0]=4 283 B15R2.4278 OCCCSc1ncnc2c1ccs2 62a_100011215043_100000183654 [2,0,0,0,0,0|2,0,0]=4 284 B15R2.4278 OCCCSc1ncnc2c1cn[nH]2 62a_100011215043_100000735611 [2,0,0,0,0,0|2,0,0]=4 285 B15R2.11987 CCNc1ncnc2c1c(c[nH]2)C#N 27a_100015525214_100009847449 [2,0,0,0,0,0|2,0,0]=4 286 B15R2.11987 CCNc1ncnc2c1c(c[nH]2)CC 27a_100015525214_100009876448 [2,0,0,0,0,0|1,0,0]=3 287 B15R2.11987 CCSc1ncnc2c1c(c[nH]2)CC 62a_100000210202_100009876448 [2,0,0,0,0,0|2,0,0]=4 288 B17R1.306 COCCCNc1cc(ncn1)NCCSC 27a_100020590264_100011443300 [0,1,1,0,0,0|0,0,2]=4 289 B17R2.19054 C#CCCCNc1ncnc2c1c(c[nH]2)C 27a_100000718082_100000092391 [1,1,0,0,0,0|1,0,0]=3 290 B17R2.19054 C#CCCCNc1ncnc2c1c(c[nH]2)F 27a_100000718082_100009880486 [1,1,0,0,0,0|2,0,0]=4 291 B17R2.19054 C#CCCCNc1ncnc2c1c(cs2)C 27a_100000718082_100000040732 [1,1,0,0,0,0|2,0,0]=4 292 B17R2.19054 C#CCCCSc1ncnc2c1c(c[nH]2)C 62a_100011215417_100000092391 [1,1,0,0,0,0|2,0,0]=4 293 B17R2.19054 C=CCCCNc1ncnc2c1c(c[nH]2)C 27a_100000700776_100000092391 [1,1,0,0,0,0|1,0,0]=3 294 B17R2.19054 C=CCCCNc1ncnc2c1c(c[nH]2)F 27a_100000700776_100009880486 [1,1,0,0,0,0|2,0,0]=4 295 B17R2.19054 C=CCCCNc1ncnc2c1c(cs2)C 27a_100000700776_100000040732 [1,1,0,0,0,0|2,0,0]=4 296 B17R2.19054 C=CCCCSc1ncnc2c1c(c[nH]2)C 62a_100011713584_100000092391 [1,1,0,0,0,0|2,0,0]=4 297 B17R2.19054 CCCCC=Cc1ncnc2c1c(c[nH]2)C 271570a_100016275911_100000092391 [1,1,0,0,0,0|2,0,0]=4 298 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)C 27a_100000209983_100000092391 [1,1,0,0,0,0|1,0,0]=3 299 B17R2.19054 CCCCCNc1ncnc2c1c(c[nH]2)F 27a_100000209983_100009880486 [1,1,0,0,0,0|2,0,0]=4 300 B17R2.19054 CCCCCNc1ncnc2c1c(cs2)C 27a_100000209983_100000040732 [1,1,0,0,0,0|2,0,0]=4 301 B17R2.19054 CCCCCSc1ncnc2c1c(c[nH]2)C 62a_100000210326_100000092391 [1,1,0,0,0,0|2,0,0]=4 302 B17R2.19054 CCOCCNc1ncnc2c1c(c[nH]2)C 27a_100011200944_100000092391 [1,1,0,0,0,0|1,0,0]=3 303 B17R2.19054 CCOCCNc1ncnc2c1c(c[nH]2)F 27a_100011200944_100009880486 [1,1,0,0,0,0|2,0,0]=4 304 B17R2.19054 CCOCCNc1ncnc2c1c(cs2)C 27a_100011200944_100000040732 [1,1,0,0,0,0|2,0,0]=4 305 B17R2.19054 CCOCCSc1ncnc2c1c(c[nH]2)C 62a_100000210147_100000092391 [1,1,0,0,0,0|2,0,0]=4 306 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)C 27a_100000106463_100000092391 [1,1,0,0,0,0|1,0,0]=3 307 B17R2.19054 CCSCCNc1ncnc2c1c(c[nH]2)F 27a_100000106463_100009880486 [1,1,0,0,0,0|2,0,0]=4 308 B17R2.19054 CCSCCNc1ncnc2c1c(cs2)C 27a_100000106463_100000040732 [1,1,0,0,0,0|2,0,0]=4 309 B17R2.19054 CCSCCSc1ncnc2c1c(c[nH]2)C 62a_100000757381_100000092391 [1,1,0,0,0,0|2,0,0]=4 310 B17R2.19054 COCCCNc1ncnc2c1c(c[nH]2)C 27a_100150723488_100000092391 [1,1,0,0,0,0|0,0,0]=2 311 B17R2.19054 COCCCNc1ncnc2c1c(c[nH]2)F 27a_100150723488_100009880486 [1,1,0,0,0,0|1,0,0]=3 312 B17R2.19054 COCCCNc1ncnc2c1c(cs2)C 27a_100150723488_100000040732 [1,1,0,0,0,0|1,0,0]=3 313 B17R2.19054 COCCCNc1ncnc2c1n(cc2)C 27a_100150723488_100009847513 [1,1,0,0,0,0|2,0,0]=4 314 B17R2.19054 COCCCNc1ncnc2c1n(cn2)C 27a_100150723488_100000078800 [1,1,0,0,0,0|1,0,1]=4 315 B17R2.19054 COCCCSc1ccnc2c1c(c[nH]2)C 62a_100000709357_100010724702 [1,1,0,0,0,0|2,0,0]=4 316 B17R2.19054 COCCCSc1ncnc2c1c(c[nH]2)C 62a_100000709357_100000092391 [1,1,0,0,0,0|1,0,0]=3 317 B17R2.19054 COCCCSc1ncnc2c1c(c[nH]2)F 62a_100000709357_100009880486 [1,1,0,0,0,0|2,0,0]=4 318 B17R2.19054 COCCCSc1ncnc2c1c(cs2)C 62a_100000709357_100000040732 [1,1,0,0,0,0|2,0,0]=4 319 B17R2.19054 CSCCCNc1ncnc2c1c(c[nH]2)C 27a_100000749238_100000092391 [1,1,0,0,0,0|0,1,0]=3 320 B17R2.19054 CSCCCNc1ncnc2c1c(c[nH]2)F 27a_100000749238_100009880486 [1,1,0,0,0,0|1,1,0]=4 321 B17R2.19054 CSCCCNc1ncnc2c1c(cs2)C 27a_100000749238_100000040732 [1,1,0,0,0,0|1,1,0]=4 322 B17R2.19054 Cc1c[nH]c2c1c(ccn2)SCCCCO 62a_100000210776_100010724702 [1,1,0,0,0,0|2,0,0]=4 323 B17R2.19054 Cc1c[nH]c2c1c(ncn2)NCCCCO 27a_100000750430_100000092391 [1,1,0,0,0,0|0,0,0]=2 324 B17R2.19054 Cc1c[nH]c2c1c(ncn2)SCC#CCO 62a_200000047223_100000092391 [1,1,0,0,0,0|1,0,1]=4 325 B17R2.19054 Cc1c[nH]c2c1c(ncn2)SCCCC#N 62a_100000687738_100000092391 [1,1,0,0,0,0|2,0,0]=4 326 B17R2.19054 Cc1c[nH]c2c1c(ncn2)SCCCC=O 62a_200011292268_100000092391 [1,1,0,0,0,0|1,0,1]=4 327 B17R2.19054 Cc1c[nH]c2c1c(ncn2)SCCCCF 62a_100000729493_100000092391 [1,1,0,0,0,0|2,0,0]=4 328 B17R2.19054 Cc1c[nH]c2c1c(ncn2)SCCCCO 62a_100000210776_100000092391 [1,1,0,0,0,0|1,0,0]=3 329 B17R2.19054 Cc1csc2c1c(ncn2)NCCCCO 27a_100000750430_100000040732 [1,1,0,0,0,0|1,0,0]=3 330 B17R2.19054 Cc1csc2c1c(ncn2)SCCCCO 62a_100000210776_100000040732 [1,1,0,0,0,0|2,0,0]=4 331 B17R2.19054 Cn1ccc2c1c(ncn2)NCCCCO 27a_100000750430_100009847513 [1,1,0,0,0,0|2,0,0]=4 332 B17R2.19054 Cn1cnc2c1c(ncn2)NCCCCO 27a_100000750430_100000078800 [1,1,0,0,0,0|1,0,1]=4 333 B17R2.19054 OCCCCNc1ncnc2c1c(c[nH]2)F 27a_100000750430_100009880486 [1,1,0,0,0,0|1,0,0]=3 334 B17R2.19054 OCCCCSc1ncnc2c1c(c[nH]2)F 62a_100000210776_100009880486 [1,1,0,0,0,0|2,0,0]=4 335 B17R2.49547 CC(CCO)Sc1ncnc2c1c(c[nH]2)F 62a_100009893172_100009880486 [1,1,0,0,0,0|2,0,0]=4 336 B17R2.49547 CCCC(C)Nc1ncnc2c1c(c[nH]2)C 27a_100000741246_100000092391 [1,1,0,0,0,0|1,0,0]=3 337 B17R2.49547 CCCC(C)Nc1ncnc2c1c(c[nH]2)F 27a_100000741246_100009880486 [1,1,0,0,0,0|2,0,0]=4 338 B17R2.49547 CCCC(C)Nc1ncnc2c1c(cs2)C 27a_100000741246_100000040732 [1,1,0,0,0,0|2,0,0]=4 339 B17R2.49547 CCCC(C)Sc1ncnc2c1c(c[nH]2)C 62a_100000766640_100000092391 [1,1,0,0,0,0|2,0,0]=4 340 B17R2.49547 COC[C@@H](C)Nc1ncnc2c1c(c[nH]2)C 27a_100000764878_100000092391 [1,1,0,0,0,0|2,0,0]=4 341 B17R2.49547 C[C@H](CCO)Nc1ncnc2c1c(c[nH]2)F 27a_100000706166_100009880486 [1,1,0,0,0,0|1,0,0]=3 342 B17R2.49547 C[C@H](CCO)Nc1ncnc2c1n(cc2)C 27a_100000706166_100009847513 [1,1,0,0,0,0|2,0,0]=4 343 B17R2.49547 C[C@H](CCO)Nc1ncnc2c1n(cn2)C 27a_100000706166_100000078800 [1,1,0,0,0,0|1,0,1]=4 344 B17R2.49547 Cc1c[nH]c2c1c(ccn2)SC(C)CCO 62a_100009893172_100010724702 [1,1,0,0,0,0|2,0,0]=4 345 B17R2.49547 Cc1c[nH]c2c1c(ncn2)N[C@@H](C)CC#N 27a_100016994482_100000092391 [1,1,0,0,0,0|1,0,1]=4 346 B17R2.49547 Cc1c[nH]c2c1c(ncn2)N[C@H](C)CCO 27a_100000706166_100000092391 [1,1,0,0,0,0|0,0,0]=2 347 B17R2.49547 Cc1c[nH]c2c1c(ncn2)SC(C)CCO 62a_100009893172_100000092391 [1,1,0,0,0,0|1,0,0]=3 348 B17R2.49547 Cc1csc2c1c(ncn2)N[C@H](C)CCO 27a_100000706166_100000040732 [1,1,0,0,0,0|1,0,0]=3 349 B17R2.49547 Cc1csc2c1c(ncn2)SC(C)CCO 62a_100009893172_100000040732 [1,1,0,0,0,0|2,0,0]=4 350 B17R2.57658 CC(CO)CNc1ncnc2c1c(c[nH]2)F 27a_100000744482_100009880486 [1,1,0,0,0,0|1,0,0]=3 351 B17R2.57658 CC(CO)CNc1ncnc2c1n(cc2)C 27a_100000744482_100009847513 [1,1,0,0,0,0|2,0,0]=4 352 B17R2.57658 CC(CO)CNc1ncnc2c1n(cn2)C 27a_100000744482_100000078800 [1,1,0,0,0,0|1,0,1]=4 353 B17R2.57658 CCC(C)CNc1ncnc2c1c(c[nH]2)C 27a_100020588543_100000092391 [1,1,0,0,0,0|1,0,0]=3 354 B17R2.57658 CCC(C)CNc1ncnc2c1c(c[nH]2)F 27a_100020588543_100009880486 [1,1,0,0,0,0|2,0,0]=4 355 B17R2.57658 CCC(C)CNc1ncnc2c1c(cs2)C 27a_100020588543_100000040732 [1,1,0,0,0,0|2,0,0]=4 356 B17R2.57658 CCC(C)CSc1ncnc2c1c(c[nH]2)C 62a_100000748023_100000092391 [1,1,0,0,0,0|2,0,0]=4 357 B17R2.57658 CCC(O)CNc1ncnc2c1c(c[nH]2)C 27a_100011218483_100000092391 [1,1,0,0,0,0|1,0,0]=3 358 B17R2.57658 CCC(O)CNc1ncnc2c1c(c[nH]2)F 27a_100011218483_100009880486 [1,1,0,0,0,0|2,0,0]=4 359 B17R2.57658 CCC(O)CNc1ncnc2c1c(cs2)C 27a_100011218483_100000040732 [1,1,0,0,0,0|2,0,0]=4 360 B17R2.57658 CCC(O)CSc1ncnc2c1c(c[nH]2)C 62a_100011218378_100000092391 [1,1,0,0,0,0|2,0,0]=4 361 B17R2.57658 CC[C@H](C)CSc1ncnc2c1c(c[nH]2)C 62a_100009816398_100000092391 [1,1,0,0,0,0|2,0,0]=4 362 B17R2.57658 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)C 27a_100020591295_100000092391 [1,1,0,0,0,0|2,0,0]=4 363 B17R2.57658 C[C@@H](CO)CSc1ncnc2c1c(c[nH]2)F 62a_100000059175_100009880486 [1,1,0,0,0,0|2,0,0]=4 364 B17R2.57658 Cc1c[nH]c2c1c(ccn2)SCC(O)CO 62a_100011219619_100010724702 [1,1,0,0,0,0|2,0,0]=4 365 B17R2.57658 Cc1c[nH]c2c1c(ccn2)SC[C@@H](C)CO 62a_100000059175_100010724702 [1,1,0,0,0,0|2,0,0]=4 366 B17R2.57658 Cc1c[nH]c2c1c(ccn2)SC[C@@H](O)CO 62a_100009815848_100010724702 [1,1,0,0,0,0|2,0,0]=4 367 B17R2.57658 Cc1c[nH]c2c1c(ncn2)NCC(C)CO 27a_100000744482_100000092391 [1,1,0,0,0,0|0,0,0]=2 368 B17R2.57658 Cc1c[nH]c2c1c(ncn2)NC[C@@H](F)CO 27a_100015665980_100000092391 [1,1,0,0,0,0|0,0,0]=2 369 B17R2.57658 Cc1c[nH]c2c1c(ncn2)NC[C@H](O)CO 27a_100020644852_100000092391 [1,1,0,0,0,0|0,0,0]=2 370 B17R2.57658 Cc1c[nH]c2c1c(ncn2)SCC(O)CO 62a_100011219619_100000092391 [1,1,0,0,0,0|1,0,0]=3 371 B17R2.57658 Cc1c[nH]c2c1c(ncn2)SC[C@@H](C)CO 62a_100000059175_100000092391 [1,1,0,0,0,0|1,0,0]=3 372 B17R2.57658 Cc1c[nH]c2c1c(ncn2)SC[C@@H](O)CF 62a_100015614560_100000092391 [1,1,0,0,0,0|2,0,0]=4 373 B17R2.57658 Cc1c[nH]c2c1c(ncn2)SC[C@@H](O)CO 62a_100009815848_100000092391 [1,1,0,0,0,0|1,0,0]=3 374 B17R2.57658 Cc1csc2c1c(ncn2)NCC(C)CO 27a_100000744482_100000040732 [1,1,0,0,0,0|1,0,0]=3 375 B17R2.57658 Cc1csc2c1c(ncn2)NC[C@@H](F)CO 27a_100015665980_100000040732 [1,1,0,0,0,0|1,0,0]=3 376 B17R2.57658 Cc1csc2c1c(ncn2)NC[C@H](O)CO 27a_100020644852_100000040732 [1,1,0,0,0,0|1,0,0]=3 377 B17R2.57658 Cc1csc2c1c(ncn2)SCC(O)CO 62a_100011219619_100000040732 [1,1,0,0,0,0|2,0,0]=4 378 B17R2.57658 Cc1csc2c1c(ncn2)SC[C@@H](C)CO 62a_100000059175_100000040732 [1,1,0,0,0,0|2,0,0]=4 379 B17R2.57658 Cc1csc2c1c(ncn2)SC[C@@H](O)CO 62a_100009815848_100000040732 [1,1,0,0,0,0|2,0,0]=4 380 B17R2.57658 Cn1ccc2c1c(ncn2)NC[C@@H](F)CO 27a_100015665980_100009847513 [1,1,0,0,0,0|2,0,0]=4 381 B17R2.57658 Cn1ccc2c1c(ncn2)NC[C@H](O)CO 27a_100020644852_100009847513 [1,1,0,0,0,0|2,0,0]=4 382 B17R2.57658 Cn1cnc2c1c(ncn2)NC[C@@H](F)CO 27a_100015665980_100000078800 [1,1,0,0,0,0|1,0,1]=4 383 B17R2.57658 Cn1cnc2c1c(ncn2)NC[C@H](O)CO 27a_100020644852_100000078800 [1,1,0,0,0,0|1,0,1]=4 384 B17R2.57658 OCC(O)CSc1ncnc2c1c(c[nH]2)F 62a_100011219619_100009880486 [1,1,0,0,0,0|2,0,0]=4 385 B17R2.57658 OC[C@@H](O)CNc1ncnc2c1c(c[nH]2)F 27a_100020644852_100009880486 [1,1,0,0,0,0|1,0,0]=3 386 B17R2.57658 OC[C@H](F)CNc1ncnc2c1c(c[nH]2)F 27a_100015665980_100009880486 [1,1,0,0,0,0|1,0,0]=3 387 B17R2.57658 OC[C@H](O)CSc1ncnc2c1c(c[nH]2)F 62a_100009815848_100009880486 [1,1,0,0,0,0|2,0,0]=4 388 B17R2.74647 C=CCCN(C)c1ncnc2c1c(c[nH]2)C 27a_100020639649_100000092391 [1,1,0,0,0,0|1,0,1]=4 389 B17R2.74647 CCCCN(C)c1ncnc2c1c(c[nH]2)C 27a_100000207549_100000092391 [1,1,0,0,0,0|1,0,0]=3 390 B17R2.74647 CCCCN(C)c1ncnc2c1c(c[nH]2)F 27a_100000207549_100009880486 [1,1,0,0,0,0|2,0,0]=4 391 B17R2.74647 CCCCN(C)c1ncnc2c1c(cs2)C 27a_100000207549_100000040732 [1,1,0,0,0,0|2,0,0]=4 392 B17R2.74647 CN(CCCO)c1ncnc2c1c(c[nH]2)F 27a_100000213112_100009880486 [1,1,0,0,0,0|1,0,0]=3 393 B17R2.74647 CN(CCCO)c1ncnc2c1n(cc2)C 27a_100000213112_100009847513 [1,1,0,0,0,0|2,0,0]=4 394 B17R2.74647 CN(CCCO)c1ncnc2c1n(cn2)C 27a_100000213112_100000078800 [1,1,0,0,0,0|1,0,1]=4 395 B17R2.74647 COCCN(C)c1ncnc2c1c(c[nH]2)C 27a_100000743101_100000092391 [1,1,0,0,0,0|2,0,0]=4 396 B17R2.74647 CSCCN(C)c1ncnc2c1c(c[nH]2)C 27a_100000686725_100000092391 [1,1,0,0,0,0|2,0,0]=4 397 B17R2.74647 Cc1c[nH]c2c1c(ncn2)N(C)CCC#N 27a_100000184479_100000092391 [1,1,0,0,0,0|1,0,1]=4 398 B17R2.74647 Cc1c[nH]c2c1c(ncn2)N(C)CCCO 27a_100000213112_100000092391 [1,1,0,0,0,0|0,0,0]=2 399 B17R2.74647 Cc1csc2c1c(ncn2)N(C)CCCO 27a_100000213112_100000040732 [1,1,0,0,0,0|1,0,0]=3 400 B17R2.86763 CCCCNc1ncnc2c1c(c(s2)C)C 27a_100000102301_100000183246 [1,1,0,0,0,0|2,0,0]=4 401 B17R2.86763 Cc1[nH]c2nccc(c2c1C)SCCCO 62a_100011215043_206744597382 [1,1,0,0,0,0|2,0,0]=4 402 B17R2.86763 Cc1sc2ncnc(c2c1C)NCCCF 27a_100015189416_100000183246 [1,1,0,0,0,0|2,0,0]=4 403 B17R2.86763 Cc1sc2ncnc(c2c1C)NCCCO 27a_100000182051_100000183246 [1,1,0,0,0,0|1,0,0]=3 404 B17R2.86763 Cc1sc2ncnc(c2c1C)SCCCO 62a_100011215043_100000183246 [1,1,0,0,0,0|2,0,0]=4 405 B17R2.184950 CC(C)CCNc1ncnc2c1c(c[nH]2)F 27a_100000210545_100009880486 [1,1,0,0,0,0|2,0,0]=4 406 B17R2.184950 CC(O)CCNc1ncnc2c1c(c[nH]2)F 27a_200000755665_100009880486 [1,1,0,0,0,0|1,0,0]=3 407 B17R2.184950 CC(O)CCNc1ncnc2c1n(cc2)C 27a_200000755665_100009847513 [1,1,0,0,0,0|2,0,0]=4 408 B17R2.184950 CC(O)CCNc1ncnc2c1n(cn2)C 27a_200000755665_100000078800 [1,1,0,0,0,0|1,0,1]=4 409 B17R2.184950 CC(O)CCSc1ncnc2c1c(c[nH]2)F 62a_100012276601_100009880486 [1,1,0,0,0,0|2,0,0]=4 410 B17R2.184950 Cc1c[nH]c2c1c(ccn2)SCCC(C)O 62a_100012276601_100010724702 [1,1,0,0,0,0|2,0,0]=4 411 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(=O)N 27a_100000740010_100000092391 [1,1,0,0,0,0|0,0,2]=4 412 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(C)C 27a_100000210545_100000092391 [1,1,0,0,0,0|1,0,0]=3 413 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCC(C)O 27a_200000755665_100000092391 [1,1,0,0,0,0|0,0,0]=2 414 B17R2.184950 Cc1c[nH]c2c1c(ncn2)NCCN(C)C 27a_100000210585_100000092391 [1,1,0,0,0,0|2,0,0]=4 415 B17R2.184950 Cc1c[nH]c2c1c(ncn2)SCCC(C)C 62a_100000210312_100000092391 [1,1,0,0,0,0|2,0,0]=4 416 B17R2.184950 Cc1c[nH]c2c1c(ncn2)SCCC(C)O 62a_100012276601_100000092391 [1,1,0,0,0,0|1,0,0]=3 417 B17R2.184950 Cc1csc2c1c(ncn2)NCCC(C)C 27a_100000210545_100000040732 [1,1,0,0,0,0|2,0,0]=4 418 B17R2.184950 Cc1csc2c1c(ncn2)NCCC(C)O 27a_200000755665_100000040732 [1,1,0,0,0,0|1,0,0]=3 419 B17R2.184950 Cc1csc2c1c(ncn2)SCCC(C)O 62a_100012276601_100000040732 [1,1,0,0,0,0|2,0,0]=4 420 B17R2.54545 CC(=O)c1c[nH]c2c1c(ncn2)NCCO 27a_100000210304_100010365573 [1,1,0,0,0,0|1,0,0]=3 421 B17R2.54545 CC(=O)c1c[nH]c2c1c(ncn2)SCCO 62a_100000211926_100010365573 [1,1,0,0,0,0|2,0,0]=4 422 B17R2.54545 CCCCc1ncnc2c1c(c[nH]2)C(=O)C 271570a_100020621405_100010365573 [1,1,0,0,0,0|2,0,0]=4 423 B17R2.54545 CCCSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100000210303_100010365573 [1,1,0,0,0,0|2,0,0]=4 424 B17R2.325128 CCCN(C)c1ncnc2c1c(c[nH]2)C#N 27a_100000747261_100009847449 [1,1,0,0,0,0|2,0,0]=4 425 B17R2.325128 CCCN(C)c1ncnc2c1c(c[nH]2)CC 27a_100000747261_100009876448 [1,1,0,0,0,0|1,0,0]=3 426 B17R2.325128 CCc1c[nH]c2c1c(ncn2)N(C)CCO 27a_100000210263_100009876448 [1,1,0,0,0,0|1,0,0]=3 427 B17R2.325128 CN(CCO)c1ncnc2c1c(c[nH]2)C#N 27a_100000210263_100009847449 [1,1,0,0,0,0|2,0,0]=4 428 B17R2.429189 C=C(C)CNc1ncnc2c1c(c[nH]2)CC 27a_100000765925_100009876448 [1,1,0,0,0,0|1,0,1]=4 429 B17R2.429189 CC(C)CNc1ncnc2c1c(c[nH]2)C#N 27a_100000210953_100009847449 [1,1,0,0,0,0|2,0,0]=4 430 B17R2.429189 CC(O)CNc1ncnc2c1c(c[nH]2)C#N 27a_100000210904_100009847449 [1,1,0,0,0,0|2,0,0]=4 431 B17R2.429189 CCc1c[nH]c2c1c(ncn2)NCC(C)C 27a_100000210953_100009876448 [1,1,0,0,0,0|1,0,0]=3 432 B17R2.429189 CCc1c[nH]c2c1c(ncn2)NCC(C)O 27a_100000210904_100009876448 [1,1,0,0,0,0|1,0,0]=3 433 B17R2.429189 CCc1c[nH]c2c1c(ncn2)NCC(F)F 27a_100000765723_100009876448 [1,1,0,0,0,0|2,0,0]=4 434 B17R2.429189 CCc1c[nH]c2c1c(ncn2)SCC(C)C 62a_100000210624_100009876448 [1,1,0,0,0,0|2,0,0]=4 435 B17R2.429189 CCc1c[nH]c2c1c(ncn2)SCC(C)O 62a_100011218427_100009876448 [1,1,0,0,0,0|2,0,0]=4 436 B17R2.429189 CCc1c[nH]c2c1c(ncn2)SC[C@@H](C)O 62a_100009817552_100009876448 [1,1,0,0,0,0|2,0,0]=4 437 B17R2.429383 CCc1c[nH]c2c1c(ncn2)N[C@H](C)CF 27a_100102880703_100009876448 [1,1,0,0,0,0|2,0,0]=4 438 B17R2.429383 CCc1c[nH]c2c1c(ncn2)N[C@H](C)CO 27a_100000737577_100009876448 [1,1,0,0,0,0|1,0,0]=3 439 B17R2.429383 CCc1c[nH]c2c1c(ncn2)SC(C)CC 62a_100000758301_100009876448 [1,1,0,0,0,0|2,0,0]=4 440 B17R2.429383 CCc1c[nH]c2c1c(ncn2)SC(C)CO 62a_100012180447_100009876448 [1,1,0,0,0,0|2,0,0]=4 441 B17R2.429383 CCc1c[nH]c2c1c(ncn2)S[C@H](C)CO 62a_100016084084_100009876448 [1,1,0,0,0,0|2,0,0]=4 442 B17R2.429383 C[C@H](CO)Nc1ncnc2c1c(c[nH]2)C#N 27a_100000737577_100009847449 [1,1,0,0,0,0|2,0,0]=4 443 B19R2.27143 COc1ccc2ncnc(c2c1)NCCC(C)O 27a_200000755665_100011804145 [0,1,0,0,0,1|1,1,0]=4 444 B19R2.27144 COc1ccc2ncnc(c2c1)NCC(C)CO 27a_100000744482_100011804145 [0,1,0,0,0,1|1,1,0]=4 445 B19R2.27144 COc1ccc2ncnc(c2c1)NC[C@@H](F)CO 27a_100015665980_100011804145 [0,1,0,0,0,1|1,1,0]=4 446 B19R2.27144 COc1ccc2ncnc(c2c1)NC[C@H](O)CO 27a_100020644852_100011804145 [0,1,0,0,0,1|1,1,0]=4 447 B19R2.2841232 COc1ccc2ncnc(c2c1)N(C)CCCO 27a_100000213112_100011804145 [0,1,0,0,0,1|1,1,0]=4 448 B19R2.3693220 COc1ccc2nc(nc(c2c1)NCCCO)C 27a_100000182051_100000691612 [0,1,0,0,0,1|1,1,0]=4 449 B19R2.4427901 COCCCNc1ncnc2c1cc(cc2)OC 27a_100150723488_100011804145 [0,1,0,0,0,1|1,1,0]=4 450 B19R2.4427901 COc1ccc2ncnc(c2c1)NCCCCO 27a_100000750430_100011804145 [0,1,0,0,0,1|1,1,0]=4 451 B19R2.6643615 COc1ccc2ncnc(c2c1)N[C@H](C)CCO 27a_100000706166_100011804145 [0,1,0,0,0,1|1,1,0]=4 452 B19R2.241077 COC(=O)c1c[nH]c2c1c(ncn2)SCCCO 62a_100011215043_200010090790 [0,2,0,0,0,0|1,1,0]=4 453 B19R2.473887 C#CCCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000718082_100010365573 [0,2,0,0,0,0|2,0,0]=4 454 B19R2.473887 C=CCCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000700776_100010365573 [0,2,0,0,0,0|2,0,0]=4 455 B19R2.473887 CC(=O)c1c[nH]c2c1c(ncn2)NCCCCO 27a_100000750430_100010365573 [0,2,0,0,0,0|1,0,0]=3 456 B19R2.473887 CC(=O)c1c[nH]c2c1c(ncn2)SCCCCO 62a_100000210776_100010365573 [0,2,0,0,0,0|2,0,0]=4 457 B19R2.473887 CCCCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000209983_100010365573 [0,2,0,0,0,0|2,0,0]=4 458 B19R2.473887 CCOCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100011200944_100010365573 [0,2,0,0,0,0|2,0,0]=4 459 B19R2.473887 CCSCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000106463_100010365573 [0,2,0,0,0,0|2,0,0]=4 460 B19R2.473887 COCCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100150723488_100010365573 [0,2,0,0,0,0|1,0,0]=3 461 B19R2.473887 COCCCSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100000709357_100010365573 [0,2,0,0,0,0|2,0,0]=4 462 B19R2.473887 CSCCCNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000749238_100010365573 [0,2,0,0,0,0|1,1,0]=4 463 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)NCCC(C)C 27a_100000210545_100010365573 [0,2,0,0,0,0|2,0,0]=4 464 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)NCCC(C)O 27a_200000755665_100010365573 [0,2,0,0,0,0|1,0,0]=3 465 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)SCCC(C)O 62a_100012276601_100010365573 [0,2,0,0,0,0|2,0,0]=4 466 B19R2.1150019 CC(=O)c1c[nH]c2c1c(ncn2)N[C@H](C)CCO 27a_100000706166_100010365573 [0,2,0,0,0,0|1,0,0]=3 467 B19R2.1150019 CC(=O)c1c[nH]c2c1c(ncn2)SC(C)CCO 62a_100009893172_100010365573 [0,2,0,0,0,0|2,0,0]=4 468 B19R2.1150019 CCCC(C)Nc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000741246_100010365573 [0,2,0,0,0,0|2,0,0]=4 469 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)NCC(C)CO 27a_100000744482_100010365573 [0,2,0,0,0,0|1,0,0]=3 470 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)NC[C@@H](F)CO 27a_100015665980_100010365573 [0,2,0,0,0,0|1,0,0]=3 471 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)NC[C@H](O)CO 27a_100020644852_100010365573 [0,2,0,0,0,0|1,0,0]=3 472 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)SCC(O)CO 62a_100011219619_100010365573 [0,2,0,0,0,0|2,0,0]=4 473 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](C)CO 62a_100000059175_100010365573 [0,2,0,0,0,0|2,0,0]=4 474 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](O)CO 62a_100009815848_100010365573 [0,2,0,0,0,0|2,0,0]=4 475 B19R2.1311368 CCC(C)CNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100020588543_100010365573 [0,2,0,0,0,0|2,0,0]=4 476 B19R2.1311368 CCC(O)CNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100011218483_100010365573 [0,2,0,0,0,0|2,0,0]=4 477 B19R2.1687651 CC(=O)c1c[nH]c2c1c(ncn2)N(C)CCCO 27a_100000213112_100010365573 [0,2,0,0,0,0|1,0,0]=3 478 B19R2.1687651 CCCCN(C)c1ncnc2c1c(c[nH]2)C(=O)C 27a_100000207549_100010365573 [0,2,0,0,0,0|2,0,0]=4 479 B19R2.279206 C#CCCCCNc1ncnc2c1c(c[nH]2)CC 27a_100000706060_100009876448 [0,2,0,0,0,0|2,0,0]=4 480 B19R2.279206 C#CCOCCNc1ncnc2c1c(c[nH]2)CC 27a_100000700922_100009876448 [0,2,0,0,0,0|2,0,0]=4 481 B19R2.279206 C=CCCCCNc1ncnc2c1c(c[nH]2)CC 27a_100000703577_100009876448 [0,2,0,0,0,0|2,0,0]=4 482 B19R2.279206 C=COCCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000210767_100009847449 [0,2,0,0,0,0|2,0,0]=4 483 B19R2.279206 C=COCCCNc1ncnc2c1c(c[nH]2)CC 27a_100000210767_100009876448 [0,2,0,0,0,0|1,0,0]=3 484 B19R2.279206 CCCCCCNc1ncnc2c1c(c[nH]2)CC 27a_100000210581_100009876448 [0,2,0,0,0,0|2,0,0]=4 485 B19R2.279206 CCCOCCNc1ncnc2c1c(c[nH]2)CC 27a_100161115042_100009876448 [0,2,0,0,0,0|2,0,0]=4 486 B19R2.279206 CCCSCCNc1ncnc2c1c(c[nH]2)CC 27a_100020603323_100009876448 [0,2,0,0,0,0|2,0,0]=4 487 B19R2.279206 CCOCCCNc1ncnc2c1c(c[nH]2)C#N 27a_100000210961_100009847449 [0,2,0,0,0,0|2,0,0]=4 488 B19R2.279206 CCOCCCNc1ncnc2c1c(c[nH]2)CC 27a_100000210961_100009876448 [0,2,0,0,0,0|1,0,0]=3 489 B19R2.279206 CCOCCCSc1ncnc2c1c(c[nH]2)CC 62a_100012232248_100009876448 [0,2,0,0,0,0|2,0,0]=4 490 B19R2.279206 CCc1c[nH]c2c1c(ncn2)NCCCCC#N 27a_100000751965_100009876448 [0,2,0,0,0,0|2,0,0]=4 491 B19R2.279206 CCc1c[nH]c2c1c(ncn2)NCCCCCO 27a_100000762737_100009876448 [0,2,0,0,0,0|1,0,0]=3 492 B19R2.279206 CCc1c[nH]c2c1c(ncn2)NCCCN=[N+]=[N-] 27a_100000744732_100009876448 [0,2,0,0,0,0|2,0,0]=4 493 B19R2.279206 CCc1c[nH]c2c1c(ncn2)NCCOCCO 27a_100000211614_100009876448 [0,2,0,0,0,0|1,0,0]=3 494 B19R2.279206 CCc1c[nH]c2c1c(ncn2)NCCSCCO 27a_100011219999_100009876448 [0,2,0,0,0,0|1,0,0]=3 495 B19R2.279206 CCc1c[nH]c2c1c(ncn2)SCCCCCO 62a_100000746330_100009876448 [0,2,0,0,0,0|2,0,0]=4 496 B19R2.279206 CCc1c[nH]c2c1c(ncn2)SCCCCOC 62a_100000730899_100009876448 [0,2,0,0,0,0|2,0,0]=4 497 B19R2.279206 CCc1c[nH]c2c1c(ncn2)SCCOCCO 62a_100011215305_100009876448 [0,2,0,0,0,0|2,0,0]=4 498 B19R2.279206 CCc1c[nH]c2c1c(ncn2)SCOCCOC 62a_100000231047_100009876448 [0,2,0,0,0,0|2,0,0]=4 499 B19R2.279206 N#Cc1c[nH]c2c1c(ncn2)NCCCCCO 27a_100000762737_100009847449 [0,2,0,0,0,0|2,0,0]=4 500 B19R2.279206 N#Cc1c[nH]c2c1c(ncn2)NCCOCCO 27a_100000211614_100009847449 [0,2,0,0,0,0|2,0,0]=4 501 B19R2.279206 N#Cc1c[nH]c2c1c(ncn2)NCCSCCO 27a_100011219999_100009847449 [0,2,0,0,0,0|2,0,0]=4 502 B19R2.1629750 CCc1c[nH]c2c1c(ncn2)NCCCC(=O)N 27a_100000739312_100009876448 [0,2,0,0,0,0|1,0,1]=4 503 B19R2.1629750 CCc1c[nH]c2c1c(ncn2)NCCCC(C)C 27a_200000737386_100009876448 [0,2,0,0,0,0|2,0,0]=4 504 B19R2.1629750 CCc1c[nH]c2c1c(ncn2)NCCCN(C)C 27a_102531767803_100009876448 [0,2,0,0,0,0|2,0,0]=4 505 B19R2.1629750 CCc1c[nH]c2c1c(ncn2)NCCCS(=O)C 27a_200000753449_100009876448 [0,2,0,0,0,0|1,0,1]=4 506 B19R2.1629750 CCc1c[nH]c2c1c(ncn2)NCCOC(C)C 27a_100000701111_100009876448 [0,2,0,0,0,0|2,0,0]=4 507 B19R2.1629750 CCc1c[nH]c2c1c(ncn2)NCCSC(C)C 27a_100000731138_100009876448 [0,2,0,0,0,0|2,0,0]=4 508 B19R2.1629750 CCc1c[nH]c2c1c(ncn2)SCCCC(C)O 62a_200000718107_100009876448 [0,2,0,0,0,0|2,0,0]=4 509 B19R2.1679633 CCCCC(C)Nc1ncnc2c1c(c[nH]2)CC 27a_100000126638_100009876448 [0,2,0,0,0,0|2,0,0]=4 510 B19R2.1700360 CCc1c[nH]c2c1c(ncn2)NCC(O)COC 27a_100000756049_100009876448 [0,2,0,0,0,0|1,0,0]=3 511 B19R2.1700360 CCc1c[nH]c2c1c(ncn2)SCC(O)COC 62a_100011215053_100009876448 [0,2,0,0,0,0|2,0,0]=4 512 B19R2.1700360 COCC(O)CNc1ncnc2c1c(c[nH]2)C#N 27a_100000756049_100009847449 [0,2,0,0,0,0|2,0,0]=4 513 B19R2.1766455 CCCCCN(C)c1ncnc2c1c(c[nH]2)CC 27a_100000223495_100009876448 [0,2,0,0,0,0|2,0,0]=4 514 B19R2.1766455 CCc1c[nH]c2c1c(ncn2)N(C)CCCCO 27a_100000717598_100009876448 [0,2,0,0,0,0|1,0,0]=3 515 B19R2.1766455 CCc1c[nH]c2c1c(ncn2)N(C)CCCOC 27a_100000224831_100009876448 [0,2,0,0,0,0|1,0,0]=3 516 B19R2.1766455 CN(CCCCO)c1ncnc2c1c(c[nH]2)C#N 27a_100000717598_100009847449 [0,2,0,0,0,0|2,0,0]=4 517 B19R2.1766455 COCCCN(C)c1ncnc2c1c(c[nH]2)C#N 27a_100000224831_100009847449 [0,2,0,0,0,0|2,0,0]=4 518 B19R2.2694573 CC(CO)CCNc1ncnc2c1c(c[nH]2)C#N 27a_106354213184_100009847449 [0,2,0,0,0,0|2,0,0]=4 519 B19R2.2694573 CCc1c[nH]c2c1c(ncn2)NCCC(C)CC 27a_100020591266_100009876448 [0,2,0,0,0,0|2,0,0]=4 520 B19R2.2694573 CCc1c[nH]c2c1c(ncn2)NCCC(C)CO 27a_106354213184_100009876448 [0,2,0,0,0,0|1,0,0]=3 521 B19R2.527572 CCCC(CC)Nc1ncnc2c1c(c[nH]2)CC 27a_100000747048_100009876448 [0,2,0,0,0,0|2,0,0]=4 522 B19R2.527572 CCC[C@@H](CO)Nc1ncnc2c1c(c[nH]2)CC 27a_100000732646_100009876448 [0,2,0,0,0,0|2,0,0]=4 523 B19R2.2694607 CCc1c[nH]c2c1c(ncn2)NC(C)CC(C)C 27a_100000692259_100009876448 [0,2,0,0,0,0|2,0,0]=4 524 B19R2.3341880 CC(C)(CCO)Nc1ncnc2c1c(c[nH]2)C#N 27a_100000763138_100009847449 [0,2,0,0,0,0|2,0,0]=4 525 B19R2.3341880 CCc1c[nH]c2c1c(ncn2)NC(C)(C)CCO 27a_100000763138_100009876448 [0,2,0,0,0,0|1,0,0]=3 526 B19R2.3473268 CC(CCO)N(C)c1ncnc2c1c(c[nH]2)C#N 27a_100000731037_100009847449 [0,2,0,0,0,0|2,0,0]=4 527 B19R2.3473268 CCc1c[nH]c2c1c(ncn2)N(C)C(C)CCO 27a_100000731037_100009876448 [0,2,0,0,0,0|1,0,0]=3 528 B19R2.1629747 CC(C)(O)CCNc1ncnc2c1c(c[nH]2)C#N 27a_100000707701_100009847449 [0,2,0,0,0,0|2,0,0]=4 529 B19R2.1629747 CCc1c[nH]c2c1c(ncn2)NCCC(C)(C)C 27a_100000738805_100009876448 [0,2,0,0,0,0|2,0,0]=4 530 B19R2.1629747 CCc1c[nH]c2c1c(ncn2)NCCC(C)(C)F 27a_100016253952_100009876448 [0,2,0,0,0,0|2,0,0]=4 531 B19R2.1629747 CCc1c[nH]c2c1c(ncn2)NCCC(C)(C)O 27a_100000707701_100009876448 [0,2,0,0,0,0|1,0,0]=3 532 B19R2.1629747 CCc1c[nH]c2c1c(ncn2)NCCC(F)(F)F 27a_100000740434_100009876448 [0,2,0,0,0,0|2,0,0]=4 533 B19R2.1629747 CCc1c[nH]c2c1c(ncn2)SCCC(C)(C)O 62a_100000702414_100009876448 [0,2,0,0,0,0|2,0,0]=4 534 B19R2.1629751 CCc1c[nH]c2c1c(ncn2)N(C)CCC(C)C 27a_100000742789_100009876448 [0,2,0,0,0,0|2,0,0]=4 535 B19R2.2694574 CCc1c[nH]c2c1c(ncn2)NCC(O)C(C)C 27a_100000759067_100009876448 [0,2,0,0,0,0|2,0,0]=4 536 B19R2.2694584 CCc1c[nH]c2c1c(ncn2)N(C)CC(C)CC 27a_100000753921_100009876448 [0,2,0,0,0,0|2,0,0]=4 537 B19R2.2694584 CCc1c[nH]c2c1c(ncn2)N(C)CC(O)CO 27a_100011216503_100009876448 [0,2,0,0,0,0|1,0,0]=3 538 B19R2.2694584 CN(CC(O)CO)c1ncnc2c1c(c[nH]2)C#N 27a_100011216503_100009847449 [0,2,0,0,0,0|2,0,0]=4 539 B19R2.2694608 CCc1c[nH]c2c1c(ncn2)NCC(CC)CC 27a_100102946423_100009876448 [0,2,0,0,0,0|2,0,0]=4 540 B19R2.2694608 CCc1c[nH]c2c1c(ncn2)NCC(CC)OC 27a_100000731041_100009876448 [0,2,0,0,0,0|2,0,0]=4 541 B19R2.7572209 CC(C)(CO)CNc1ncnc2c1c(c[nH]2)C#N 27a_100020635058_100009847449 [0,2,0,0,0,0|2,0,0]=4 542 B19R2.7572209 CCc1c[nH]c2c1c(ncn2)NCC(C)(C)CO 27a_100020635058_100009876448 [0,2,0,0,0,0|1,0,0]=3 543 B19R2.7572209 CCc1c[nH]c2c1c(ncn2)NCC(F)(F)CO 27a_100000703232_100009876448 [0,2,0,0,0,0|1,0,0]=3 544 B19R2.7572209 CCc1c[nH]c2c1c(ncn2)SCC(C)(C)CO 62a_100009813988_100009876448 [0,2,0,0,0,0|2,0,0]=4 545 B19R2.7572209 N#Cc1c[nH]c2c1c(ncn2)NCC(F)(F)CO 27a_100000703232_100009847449 [0,2,0,0,0,0|2,0,0]=4 546 B19R2.3208500 CCCCN(CC)c1ncnc2c1c(c[nH]2)CC 27a_100000207695_100009876448 [0,2,0,0,0,0|2,0,0]=4 547 B17R2.270 OCCCNc1cc(ncn1)n2cccn2 27a_100000182051_100011443393 [0,0,1,1,0,0|2,0,0]=4 548 B17R2.270 OCCCNc1cc(ncn1)n2ccnc2 27a_100000182051_100000755580 [0,0,1,1,0,0|1,0,1]=4 549 B17R2.86756 Cc1ccc2ncnc(c2c1)NCCCO 27a_100000182051_100000743341 [0,0,1,1,0,0|2,0,0]=4 550 B17R3.30068 Cc1c[nH]c2c1c(ncn2)C3=CCCC3 271570a_100000089523_100000092391 [1,0,0,1,0,0|2,0,0]=4 551 B17R3.30068 Cc1c[nH]c2c1c(ncn2)N3CCCC3 27a_100000188435_100000092391 [1,0,0,1,0,0|1,0,0]=3 552 B17R3.30068 Cc1c[nH]c2c1c(ncn2)N3CCSC3 27a_100011215254_100000092391 [1,0,0,1,0,0|2,0,0]=4 553 B17R3.30068 Cc1csc2c1c(ncn2)N3CCCC3 27a_100000188435_100000040732 [1,0,0,1,0,0|2,0,0]=4 554 B17R3.30068 Fc1c[nH]c2c1c(ncn2)N3CCCC3 27a_100000188435_100009880486 [1,0,0,1,0,0|2,0,0]=4 555 B17R3.61179 CC1CCN1c2ncnc3c2c(c[nH]3)F 27a_100000755817_100009880486 [1,0,0,1,0,0|2,0,0]=4 556 B17R3.61179 Cc1c[nH]c2c1c(ncn2)N3CCC3C 27a_100000755817_100000092391 [1,0,0,1,0,0|1,0,0]=3 557 B17R3.61179 Cc1csc2c1c(ncn2)N3CCC3C 27a_100000755817_100000040732 [1,0,0,1,0,0|2,0,0]=4 558 B17R3.274312 Cc1c[nH]c2c1c(ncn2)N[C@@H]3C[C@@H]3F 27a_100015190264_100000092391 [1,0,0,1,0,0|1,0,0]=3 559 B17R3.274312 Cc1c[nH]c2c1c(ncn2)N[C@@H]3C[C@H]3F 27a_100025746932_100000092391 [1,0,0,1,0,0|1,0,0]=3 560 B17R3.274312 Cc1csc2c1c(ncn2)N[C@@H]3C[C@@H]3F 27a_100015190264_100000040732 [1,0,0,1,0,0|2,0,0]=4 561 B17R3.274312 Cc1csc2c1c(ncn2)N[C@@H]3C[C@H]3F 27a_100025746932_100000040732 [1,0,0,1,0,0|2,0,0]=4 562 B17R3.274312 Fc1c[nH]c2c1c(ncn2)N[C@@H]3C[C@@H]3F 27a_100015190264_100009880486 [1,0,0,1,0,0|2,0,0]=4 563 B17R3.274312 Fc1c[nH]c2c1c(ncn2)N[C@@H]3C[C@H]3F 27a_100025746932_100009880486 [1,0,0,1,0,0|2,0,0]=4 564 B17R3.274313 Cc1c[nH]c2c1c(ncn2)NC3CCC3 27a_100000749019_100000092391 [1,0,0,1,0,0|1,0,0]=3 565 B17R3.274313 Cc1c[nH]c2c1c(ncn2)NC3COC3 27a_100016991112_100000092391 [1,0,0,1,0,0|2,0,0]=4 566 B17R3.274313 Cc1c[nH]c2c1c(ncn2)NC3CSC3 27a_100016994217_100000092391 [1,0,0,1,0,0|2,0,0]=4 567 B17R3.274313 Cc1csc2c1c(ncn2)NC3CCC3 27a_100000749019_100000040732 [1,0,0,1,0,0|2,0,0]=4 568 B17R3.274313 Fc1c[nH]c2c1c(ncn2)NC3CCC3 27a_100000749019_100009880486 [1,0,0,1,0,0|2,0,0]=4 569 B17R3.274315 Cc1c[nH]c2c1c(ccn2)SCC3CO3 62a_102125554688_100010724702 [1,0,0,1,0,0|2,0,0]=4 570 B17R3.274315 Cc1c[nH]c2c1c(ccn2)SC[C@@H]3CO3 62a_100000745022_100010724702 [1,0,0,1,0,0|2,0,0]=4 571 B17R3.274315 Cc1c[nH]c2c1c(ncn2)NCC3CC3 27a_100000735609_100000092391 [1,0,0,1,0,0|1,0,0]=3 572 B17R3.274315 Cc1c[nH]c2c1c(ncn2)SCC3CC3 62a_100000756562_100000092391 [1,0,0,1,0,0|2,0,0]=4 573 B17R3.274315 Cc1c[nH]c2c1c(ncn2)SCC3CO3 62a_102125554688_100000092391 [1,0,0,1,0,0|1,0,0]=3 574 B17R3.274315 Cc1c[nH]c2c1c(ncn2)SCC3CS3 62a_100000031435_100000092391 [1,0,0,1,0,0|1,1,0]=4 575 B17R3.274315 Cc1c[nH]c2c1c(ncn2)SC[C@@H]3CO3 62a_100000745022_100000092391 [1,0,0,1,0,0|1,0,0]=3 576 B17R3.274315 Cc1csc2c1c(ncn2)NCC3CC3 27a_100000735609_100000040732 [1,0,0,1,0,0|2,0,0]=4 577 B17R3.274315 Cc1csc2c1c(ncn2)SCC3CO3 62a_102125554688_100000040732 [1,0,0,1,0,0|2,0,0]=4 578 B17R3.274315 Cc1csc2c1c(ncn2)SC[C@@H]3CO3 62a_100000745022_100000040732 [1,0,0,1,0,0|2,0,0]=4 579 B17R3.274315 Fc1c[nH]c2c1c(ncn2)NCC3CC3 27a_100000735609_100009880486 [1,0,0,1,0,0|2,0,0]=4 580 B17R3.274315 Fc1c[nH]c2c1c(ncn2)SCC3CO3 62a_102125554688_100009880486 [1,0,0,1,0,0|2,0,0]=4 581 B17R3.274315 Fc1c[nH]c2c1c(ncn2)SC[C@@H]3CO3 62a_100000745022_100009880486 [1,0,0,1,0,0|2,0,0]=4 582 B17R3.627363 CCc1c[nH]c2c1c(ncn2)N3CCC3 27a_100000754969_100009876448 [1,0,0,1,0,0|1,0,0]=3 583 B17R3.627363 N#Cc1c[nH]c2c1c(ncn2)N3CCC3 27a_100000754969_100009847449 [1,0,0,1,0,0|2,0,0]=4 584 B17R3.627364 CCc1c[nH]c2c1c(ncn2)NC3CC3 27a_100000212008_100009876448 [1,0,0,1,0,0|1,0,0]=3 585 B17R3.627364 N#Cc1c[nH]c2c1c(ncn2)NC3CC3 27a_100000212008_100009847449 [1,0,0,1,0,0|2,0,0]=4 586 B19R3.1770214 OCCCNc1ncnc2c1c3c(s2)CCC3 27a_100000182051_100000183435 [0,1,0,1,0,0|2,0,0]=4 587 B19R3.184304 CC(=O)c1c[nH]c2c1c(ncn2)N3CCC3C 27a_100000755817_100010365573 [0,1,0,1,0,0|2,0,0]=4 588 B19R3.648069 CC(=O)c1c[nH]c2c1c(ncn2)N3CCCC3 27a_100000188435_100010365573 [0,1,0,1,0,0|2,0,0]=4 589 B19R3.1703882 CC(=O)c1c[nH]c2c1c(ncn2)N[C@@H]3C[C@@H]3F 27a_100015190264_100010365573 [0,1,0,1,0,0|2,0,0]=4 590 B19R3.1703882 CC(=O)c1c[nH]c2c1c(ncn2)N[C@@H]3C[C@H]3F 27a_100025746932_100010365573 [0,1,0,1,0,0|2,0,0]=4 591 B19R3.10688882 CC(=O)c1c[nH]c2c1c(ncn2)NC3CCC3 27a_100000749019_100010365573 [0,1,0,1,0,0|2,0,0]=4 592 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)NCC3CC3 27a_100000735609_100010365573 [0,1,0,1,0,0|2,0,0]=4 593 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)SCC3CO3 62a_102125554688_100010365573 [0,1,0,1,0,0|2,0,0]=4 594 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H]3CO3 62a_100000745022_100010365573 [0,1,0,1,0,0|2,0,0]=4 595 B19R3.305362 CCc1c[nH]c2c1c(ncn2)C3=CCCCO3 271570a_100010177797_100009876448 [0,1,0,1,0,0|2,0,0]=4 596 B19R3.305362 CCc1c[nH]c2c1c(ncn2)C3=COCCC3 271570a_100010175576_100009876448 [0,1,0,1,0,0|2,0,0]=4 597 B19R3.305362 CCc1c[nH]c2c1c(ncn2)N3CCOCC3 27a_100015191051_100009876448 [0,1,0,1,0,0|2,0,0]=4 598 B19R3.305362 CCc1c[nH]c2c1c(ncn2)N3CCSCC3 27a_100000737611_100009876448 [0,1,0,1,0,0|2,0,0]=4 599 B19R3.1521754 CCc1c[nH]c2c1c(ncn2)NC3CCCC3 27a_100000211070_100009876448 [0,1,0,1,0,0|2,0,0]=4 600 B19R3.1521754 CCc1c[nH]c2c1c(ncn2)N[C@@H]3CCOC3 27a_200015188469_100009876448 [0,1,0,1,0,0|1,0,0]=3 601 B19R3.1521754 CCc1c[nH]c2c1c(ncn2)N[C@H]3CCOC3 27a_100015188467_100009876448 [0,1,0,1,0,0|1,0,0]=3 602 B19R3.1521754 N#Cc1c[nH]c2c1c(ncn2)N[C@@H]3CCOC3 27a_200015188469_100009847449 [0,1,0,1,0,0|2,0,0]=4 603 B19R3.1521754 N#Cc1c[nH]c2c1c(ncn2)N[C@H]3CCOC3 27a_100015188467_100009847449 [0,1,0,1,0,0|2,0,0]=4 604 B19R3.1523767 CCc1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C 27a_100020605311_100009876448 [0,1,0,1,0,0|2,0,0]=4 605 B19R3.1523767 CCc1c[nH]c2c1c(ncn2)N3CCC[C@H]3C 27a_100015189458_100009876448 [0,1,0,1,0,0|2,0,0]=4 606 B19R3.1523767 CCc1c[nH]c2c1c(ncn2)N3CCSC3C 27a_200011216479_100009876448 [0,1,0,1,0,0|2,0,0]=4 607 B19R3.3575143 CCc1c[nH]c2c1c(ncn2)NCCC3CC3 27a_100000764129_100009876448 [0,1,0,1,0,0|2,0,0]=4 608 B19R3.3575143 CCc1c[nH]c2c1c(ncn2)SCCC3CO3 62a_100000732470_100009876448 [0,1,0,1,0,0|2,0,0]=4 609 B19R3.3575148 CCc1c[nH]c2c1c(ncn2)NCC3CCC3 27a_100000738700_100009876448 [0,1,0,1,0,0|2,0,0]=4 610 B19R3.3575148 CCc1c[nH]c2c1c(ncn2)NCC3COC3 27a_100015281925_100009876448 [0,1,0,1,0,0|1,0,0]=3 611 B19R3.3575148 CCc1c[nH]c2c1c(ncn2)NC[C@@H]3CCO3 27a_100020831831_100009876448 [0,1,0,1,0,0|1,0,0]=3 612 B19R3.3575148 CCc1c[nH]c2c1c(ncn2)SCC3CCO3 62a_100000103362_100009876448 [0,1,0,1,0,0|2,0,0]=4 613 B19R3.3575148 CCc1c[nH]c2c1c(ncn2)SCC3COC3 62a_100010264016_100009876448 [0,1,0,1,0,0|2,0,0]=4 614 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NCC3COC3 27a_100015281925_100009847449 [0,1,0,1,0,0|2,0,0]=4 615 B19R3.3575148 N#Cc1c[nH]c2c1c(ncn2)NC[C@@H]3CCO3 27a_100020831831_100009847449 [0,1,0,1,0,0|2,0,0]=4 616 B19R3.3575142 CCc1c[nH]c2c1c(ncn2)NC3CC(C3)F 27a_100016993743_100009876448 [0,1,0,1,0,0|2,0,0]=4 617 B19R3.3575142 CCc1c[nH]c2c1c(ncn2)N[C@H]3C[C@@H](C3)O 27a_100020629032_100009876448 [0,1,0,1,0,0|1,0,0]=3 618 B19R3.3575142 N#Cc1c[nH]c2c1c(ncn2)N[C@H]3C[C@@H](C3)O 27a_100020629032_100009847449 [0,1,0,1,0,0|2,0,0]=4 619 B19R3.3575144 CCc1c[nH]c2c1c(ncn2)NC(C)C3CC3 27a_100000700016_100009876448 [0,1,0,1,0,0|2,0,0]=4 620 B19R3.3580089 CCc1c[nH]c2c1c(ncn2)NC3(CCC3)C 27a_100000692455_100009876448 [0,1,0,1,0,0|2,0,0]=4 621 B19R3.1523768 CCc1c[nH]c2c1c(ncn2)N3CCC(C3)O 27a_100011215560_100009876448 [0,1,0,1,0,0|1,0,0]=3 622 B19R3.1523768 CCc1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)F 27a_100015203821_100009876448 [0,1,0,1,0,0|2,0,0]=4 623 B19R3.1523768 CCc1c[nH]c2c1c(ncn2)N3CC[C@H](C3)C 27a_100016987628_100009876448 [0,1,0,1,0,0|2,0,0]=4 624 B19R3.1523768 N#Cc1c[nH]c2c1c(ncn2)N3CCC(C3)O 27a_100011215560_100009847449 [0,1,0,1,0,0|2,0,0]=4 625 B19R3.3580088 CCc1c[nH]c2c1c(ncn2)NC3CC3(F)F 27a_100020610826_100009876448 [0,1,0,1,0,0|2,0,0]=4 626 B19R3.3580083 CCc1c[nH]c2c1c(ncn2)N3C[C@@H]([C@@H]3C)O 27a_206633788156_100009876448 [0,1,0,1,0,0|2,0,0]=4 627 B19R3.3580085 CCc1c[nH]c2c1c(ncn2)N3CC(C3)CC 27a_100015205115_100009876448 [0,1,0,1,0,0|2,0,0]=4 628 B19R3.3580085 CCc1c[nH]c2c1c(ncn2)N3CC(C3)CF 27a_100010363649_100009876448 [0,1,0,1,0,0|2,0,0]=4 629 B19R3.3580085 CCc1c[nH]c2c1c(ncn2)N3CC(C3)CO 27a_100016987283_100009876448 [0,1,0,1,0,0|1,0,0]=3 630 B19R3.3580085 N#Cc1c[nH]c2c1c(ncn2)N3CC(C3)CO 27a_100016987283_100009847449 [0,1,0,1,0,0|2,0,0]=4 631 B19R3.3580087 CCc1c[nH]c2c1c(ncn2)NCC3(CC3)C 27a_100000766693_100009876448 [0,1,0,1,0,0|2,0,0]=4 632 B19R3.3580087 CCc1c[nH]c2c1c(ncn2)NCC3(CC3)O 27a_100011936951_100009876448 [0,1,0,1,0,0|2,0,0]=4 633 B19R3.3580087 CCc1c[nH]c2c1c(ncn2)SCC3(CO3)C 62a_100000760498_100009876448 [0,1,0,1,0,0|2,0,0]=4 634 B19R3.3575114 CCc1c[nH]c2c1c(ncn2)N(C)C3CCC3 27a_100000758072_100009876448 [0,1,0,1,0,0|2,0,0]=4 635 B19R3.3575115 CCc1c[nH]c2c1c(ncn2)N(C)CC3CC3 27a_100000741881_100009876448 [0,1,0,1,0,0|2,0,0]=4 636 B17R2.342035 COc1ccc2ncnc(c2c1)NCCO 27a_100000210304_100011804145 [1,0,0,0,0,1|1,1,0]=4