0 B20R2.16905 BrCCCOCc1ccccc1Cc2ccccc2 34a_100011217188_100010254464 [1,0,0,0,0,0|3,0,0]=4 1 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000731252 [1,0,0,0,0,0|1,0,2]=4 2 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000695029 [1,0,0,0,0,0|1,0,2]=4 3 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215417 [1,0,0,0,0,0|1,0,2]=4 4 B20R2.16905 C#CCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000695029 [1,0,0,0,0,0|0,0,2]=3 5 B20R2.16905 C#CCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100011215417 [1,0,0,0,0,0|0,0,2]=3 6 B20R2.16905 C#CCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000695029 [1,0,0,0,0,0|1,0,2]=4 7 B20R2.16905 C#CCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100011215417 [1,0,0,0,0,0|1,0,2]=4 8 B20R2.16905 C#CCCCSc1ccccc1Cc2ccccc2 62a_100011215417_200011216382 [1,0,0,0,0,0|0,1,2]=4 9 B20R2.16905 C#CCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100011215417 [1,0,0,0,0,0|0,1,2]=4 10 B20R2.16905 C#CCCNCc1ccccc1Cc2ccccc2 34a_100000755551_100010254464 [1,0,0,0,0,0|2,0,1]=4 11 B20R2.16905 C#CCCOCc1ccccc1Cc2ccccc2 34a_100011215631_100010254464 [1,0,0,0,0,0|2,0,1]=4 12 B20R2.16905 C#CCCSCc1ccccc1Cc2ccccc2 62a_100000688953_100010254464 [1,0,0,0,0,0|2,0,1]=4 13 B20R2.16905 C#CCCSCc1ccccc1Cc2ccccc2 62a_100010254464_100000688953 [1,0,0,0,0,0|2,0,1]=4 14 B20R2.16905 C/C=C/COCc1ccccc1Cc2ccccc2 34a_100016270725_100010254464 [1,0,0,0,0,0|2,0,1]=4 15 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011713584 [1,0,0,0,0,0|1,0,2]=4 16 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000757094 [1,0,0,0,0,0|1,0,2]=4 17 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000757094 [1,0,0,0,0,0|1,0,2]=4 18 B20R2.16905 C=CCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000757094 [1,0,0,0,0,0|0,0,2]=3 19 B20R2.16905 C=CCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000757094 [1,0,0,0,0,0|0,0,2]=3 20 B20R2.16905 C=CCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000757094 [1,0,0,0,0,0|1,0,2]=4 21 B20R2.16905 C=CCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000757094 [1,0,0,0,0,0|1,0,2]=4 22 B20R2.16905 C=CCCNCc1ccccc1Cc2ccccc2 207a_100015191253_100009842342 [1,0,0,0,0,0|2,0,1]=4 23 B20R2.16905 C=CCCNCc1ccccc1Cc2ccccc2 2230a_100015191253_100010254464 [1,0,0,0,0,0|2,0,1]=4 24 B20R2.16905 C=CCCNCc1ccccc1Cc2ccccc2 270004a_100015191253_100009842342 [1,0,0,0,0,0|2,0,1]=4 25 B20R2.16905 C=CCCOCc1ccccc1Cc2ccccc2 34a_100011205117_100010254464 [1,0,0,0,0,0|2,0,1]=4 26 B20R2.16905 C=COCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000039644 [1,0,0,0,0,0|1,0,2]=4 27 B20R2.16905 C=COCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000039644 [1,0,0,0,0,0|1,0,2]=4 28 B20R2.16905 CC#CCNCc1ccccc1Cc2ccccc2 2230a_100000685387_100010254464 [1,0,0,0,0,0|2,0,1]=4 29 B20R2.16905 CC#CCNCc1ccccc1Cc2ccccc2 34a_100000685387_100010254464 [1,0,0,0,0,0|2,0,1]=4 30 B20R2.16905 CC#CCOCc1ccccc1Cc2ccccc2 34a_100000761923_100010254464 [1,0,0,0,0,0|2,0,1]=4 31 B20R2.16905 CC#CCSCc1ccccc1Cc2ccccc2 62a_100000748600_100010254464 [1,0,0,0,0,0|2,0,1]=4 32 B20R2.16905 CC#CCSCc1ccccc1Cc2ccccc2 62a_100010254464_100000748600 [1,0,0,0,0,0|2,0,1]=4 33 B20R2.16905 CC/C=C\CNc1ccccc1Cc2ccccc2 2230a_100000211252_100103147603 [1,0,0,0,0,0|1,0,2]=4 34 B20R2.16905 CC/C=C\CNc1ccccc1Cc2ccccc2 34a_100000211252_100103147603 [1,0,0,0,0,0|1,0,2]=4 35 B20R2.16905 CC/C=C\CNc1ccccc1Cc2ccccc2 7a_100000211252_100103147603 [1,0,0,0,0,0|1,0,2]=4 36 B20R2.16905 CC/C=C\COc1ccccc1Cc2ccccc2 34a_100000211249_100103147603 [1,0,0,0,0,0|0,0,2]=3 37 B20R2.16905 CC/C=C\COc1ccccc1Cc2ccccc2 7a_100000211249_100103147603 [1,0,0,0,0,0|0,0,2]=3 38 B20R2.16905 CC/C=C\COc1ccccc1Oc2ccccc2 34a_100000074787_100103147603 [1,0,0,0,0,0|1,0,2]=4 39 B20R2.16905 CC/C=C\COc1ccccc1Oc2ccccc2 7a_100000074787_100103147603 [1,0,0,0,0,0|1,0,2]=4 40 B20R2.16905 CCC#CCNc1ccccc1Cc2ccccc2 2230a_100000211252_100009813939 [1,0,0,0,0,0|1,0,2]=4 41 B20R2.16905 CCC#CCNc1ccccc1Cc2ccccc2 34a_100000211252_100009813939 [1,0,0,0,0,0|1,0,2]=4 42 B20R2.16905 CCC#CCNc1ccccc1Cc2ccccc2 7a_100000211252_100009813939 [1,0,0,0,0,0|1,0,2]=4 43 B20R2.16905 CCC#CCOc1ccccc1Cc2ccccc2 34a_100000211249_100009813939 [1,0,0,0,0,0|0,0,2]=3 44 B20R2.16905 CCC#CCOc1ccccc1Cc2ccccc2 7a_100000211249_100009813939 [1,0,0,0,0,0|0,0,2]=3 45 B20R2.16905 CCC#CCOc1ccccc1Oc2ccccc2 34a_100000074787_100009813939 [1,0,0,0,0,0|1,0,2]=4 46 B20R2.16905 CCC#CCOc1ccccc1Oc2ccccc2 7a_100000074787_100009813939 [1,0,0,0,0,0|1,0,2]=4 47 B20R2.16905 CCC#CCSc1ccccc1Cc2ccccc2 62a_100009813939_200011216382 [1,0,0,0,0,0|0,1,2]=4 48 B20R2.16905 CCC#CCSc1ccccc1Cc2ccccc2 62a_200011216382_100009813939 [1,0,0,0,0,0|0,1,2]=4 49 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210326 [1,0,0,0,0,0|1,0,0]=2 50 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000718602 [1,0,0,0,0,0|1,0,0]=2 51 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210326 [1,0,0,0,0,0|1,0,0]=2 52 B20R2.16905 CCCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000718602 [1,0,0,0,0,0|0,0,0]=1 53 B20R2.16905 CCCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000210326 [1,0,0,0,0,0|0,0,0]=1 54 B20R2.16905 CCCCCOc1ccccc1Oc2ccccn2 34a_100000748224_100000718602 [1,0,0,0,0,0|2,0,0]=3 55 B20R2.16905 CCCCNCc1ccccc1Cc2ccccc2 207a_100000102301_100009842342 [1,0,0,0,0,0|2,0,0]=3 56 B20R2.16905 CCCCNCc1ccccc1Cc2ccccc2 2230a_100000102301_100010254464 [1,0,0,0,0,0|2,0,0]=3 57 B20R2.16905 CCCCNCc1ccccc1Cc2ccccc2 270004a_100000102301_100009842342 [1,0,0,0,0,0|2,0,0]=3 58 B20R2.16905 CCCCNCc1ccccc1Cc2ccccc2 7a_106832991798_100010254464 [1,0,0,0,0,0|2,0,0]=3 59 B20R2.16905 CCCCNCc1ccccc1Oc2ccccc2 207a_100000102301_100011234122 [1,0,0,0,0,0|3,0,0]=4 60 B20R2.16905 CCCCNCc1ccccc1Oc2ccccc2 2230a_100000102301_100000199117 [1,0,0,0,0,0|3,0,0]=4 61 B20R2.16905 CCCCNCc1ccccc1Oc2ccccc2 2230a_100016987831_100000210211 [1,0,0,0,0,0|3,0,0]=4 62 B20R2.16905 CCCCNCc1ccccc1Oc2ccccc2 270004a_100000102301_100011234122 [1,0,0,0,0,0|3,0,0]=4 63 B20R2.16905 CCCCNCc1ccccc1Oc2ccccc2 34a_100016987831_100000210210 [1,0,0,0,0,0|3,0,0]=4 64 B20R2.16905 CCCCNCc1ccccc1Oc2ccccc2 7a_106832991798_100000199117 [1,0,0,0,0,0|3,0,0]=4 65 B20R2.16905 CCCCOCc1ccccc1Cc2ccccc2 34a_100000210227_100010254464 [1,0,0,0,0,0|2,0,0]=3 66 B20R2.16905 CCCCOCc1ccccc1Cc2ccccc2 7a_100000210227_100010254464 [1,0,0,0,0,0|2,0,0]=3 67 B20R2.16905 CCCCOCc1ccccc1Oc2ccccc2 34a_100000246416_100000210210 [1,0,0,0,0,0|3,0,0]=4 68 B20R2.16905 CCCCOCc1ccccc1Oc2ccccc2 7a_100000210227_100000199117 [1,0,0,0,0,0|3,0,0]=4 69 B20R2.16905 CCCCOCc1ccccc1Oc2ccccc2 7a_100000246416_100000210211 [1,0,0,0,0,0|3,0,0]=4 70 B20R2.16905 CCCNN=Cc1ccccc1Cc2ccccc2 4a_100000740057_100009842342 [1,0,0,0,0,0|3,0,0]=4 71 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011215890 [1,0,0,0,0,0|2,0,0]=3 72 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000210147 [1,0,0,0,0,0|2,0,0]=3 73 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215890 [1,0,0,0,0,0|2,0,0]=3 74 B20R2.16905 CCOCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100011215890 [1,0,0,0,0,0|3,0,0]=4 75 B20R2.16905 CCOCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000210147 [1,0,0,0,0,0|3,0,0]=4 76 B20R2.16905 CCOCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100011215890 [1,0,0,0,0,0|3,0,0]=4 77 B20R2.16905 CCOCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000210147 [1,0,0,0,0,0|1,0,0]=2 78 B20R2.16905 CCOCCOc1ccccc1Cc2ccccc2 7a_100000211249_100011215890 [1,0,0,0,0,0|1,0,0]=2 79 B20R2.16905 CCOCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000210147 [1,0,0,0,0,0|2,0,0]=3 80 B20R2.16905 CCOCCOc1ccccc1Oc2ccccc2 7a_100000074787_100011215890 [1,0,0,0,0,0|2,0,0]=3 81 B20R2.16905 CCOCCOc1ccccc1Oc2ccccn2 34a_100000748224_100000210147 [1,0,0,0,0,0|3,0,0]=4 82 B20R2.16905 CCOCCSc1ccccc1Cc2ccccc2 62a_100000210147_200011216382 [1,0,0,0,0,0|1,1,0]=3 83 B20R2.16905 CCOCCSc1ccccc1Cc2ccccc2 62a_200011216382_100011215890 [1,0,0,0,0,0|1,1,0]=3 84 B20R2.16905 CCOCCSc1ccccc1Nc2ccccc2 62a_100000210147_100009815782 [1,0,0,0,0,0|2,1,0]=4 85 B20R2.16905 CCOCCSc1ccccc1Oc2ccccc2 62a_100000210147_100000049502 [1,0,0,0,0,0|2,1,0]=4 86 B20R2.16905 CCOCSCc1ccccc1Cc2ccccc2 62a_100000739092_100010254464 [1,0,0,0,0,0|3,0,0]=4 87 B20R2.16905 CCOCSCc1ccccc1Cc2ccccc2 62a_100010254464_100000739092 [1,0,0,0,0,0|3,0,0]=4 88 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000757381 [1,0,0,0,0,0|2,0,0]=3 89 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000757381 [1,0,0,0,0,0|2,0,0]=3 90 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000757381 [1,0,0,0,0,0|2,0,0]=3 91 B20R2.16905 CCSCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000757381 [1,0,0,0,0,0|3,0,0]=4 92 B20R2.16905 CCSCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000757381 [1,0,0,0,0,0|3,0,0]=4 93 B20R2.16905 CCSCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000757381 [1,0,0,0,0,0|1,0,0]=2 94 B20R2.16905 CCSCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000757381 [1,0,0,0,0,0|1,0,0]=2 95 B20R2.16905 CCSCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000757381 [1,0,0,0,0,0|2,0,0]=3 96 B20R2.16905 CCSCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000757381 [1,0,0,0,0,0|2,0,0]=3 97 B20R2.16905 CCSCCOc1ccccc1Oc2ccccn2 34a_100000748224_100000757381 [1,0,0,0,0,0|3,0,0]=4 98 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100000719477_100015186278 [1,0,0,0,0,0|1,0,0]=2 99 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100015186278_100000041952 [1,0,0,0,0,0|1,0,0]=2 100 B20R2.16905 CNCCCOc1ccccc1Sc2ccccn2 62a_100011216584_100015186278 [1,0,0,0,0,0|2,0,0]=3 101 B20R2.16905 CNCCCOc1ccccc1Sc2ccccn2 62a_100015186278_100011216584 [1,0,0,0,0,0|2,0,0]=3 102 B20R2.16905 CNCCCOc1ccccc1Sc2cccnc2 62a_100000210063_100015186278 [1,0,0,0,0,0|2,0,0]=3 103 B20R2.16905 CNCCCOc1ccccc1Sc2cccnc2 62a_100015186278_100000210063 [1,0,0,0,0,0|2,0,0]=3 104 B20R2.16905 CNCCCOc1ccccc1Sc2cccnn2 62a_100015186278_100016991348 [1,0,0,0,0,0|3,0,0]=4 105 B20R2.16905 CNCCCOc1ccccc1Sc2cccnn2 62a_100016991348_100015186278 [1,0,0,0,0,0|3,0,0]=4 106 B20R2.16905 CNCCCOc1ccccc1Sc2ccncc2 62a_100000728582_100015186278 [1,0,0,0,0,0|2,0,0]=3 107 B20R2.16905 CNCCCOc1ccccc1Sc2ccncc2 62a_100015186278_100000728582 [1,0,0,0,0,0|2,0,0]=3 108 B20R2.16905 CNCCCOc1ccccc1Sc2ccncn2 62a_100000703185_100015186278 [1,0,0,0,0,0|3,0,0]=4 109 B20R2.16905 CNCCCOc1ccccc1Sc2ccncn2 62a_100015186278_100000703185 [1,0,0,0,0,0|3,0,0]=4 110 B20R2.16905 CNCCCOc1ccccc1Sc2ccnnc2 62a_100000732662_100015186278 [1,0,0,0,0,0|3,0,0]=4 111 B20R2.16905 CNCCCOc1ccccc1Sc2ccnnc2 62a_100015186278_100000732662 [1,0,0,0,0,0|3,0,0]=4 112 B20R2.16905 CNCCCOc1ccccc1Sc2cnccn2 62a_100000211759_100015186278 [1,0,0,0,0,0|3,0,0]=4 113 B20R2.16905 CNCCCOc1ccccc1Sc2cnccn2 62a_100015186278_100000211759 [1,0,0,0,0,0|3,0,0]=4 114 B20R2.16905 CNCCCOc1ccccc1Sc2cncnc2 62a_100011206942_100015186278 [1,0,0,0,0,0|3,0,0]=4 115 B20R2.16905 CNCCCOc1ccccc1Sc2cncnc2 62a_100015186278_100011206942 [1,0,0,0,0,0|3,0,0]=4 116 B20R2.16905 CNCCCOc1ccccc1Sc2ncccn2 62a_100000211032_100015186278 [1,0,0,0,0,0|3,0,0]=4 117 B20R2.16905 CNCCCOc1ccccc1Sc2ncccn2 62a_100015186278_100000211032 [1,0,0,0,0,0|3,0,0]=4 118 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000740836 [1,0,0,0,0,0|2,0,0]=3 119 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000740836 [1,0,0,0,0,0|2,0,0]=3 120 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000740836 [1,0,0,0,0,0|2,0,0]=3 121 B20R2.16905 COCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000740836 [1,0,0,0,0,0|3,0,0]=4 122 B20R2.16905 COCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000740836 [1,0,0,0,0,0|3,0,0]=4 123 B20R2.16905 COCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000740836 [1,0,0,0,0,0|3,0,0]=4 124 B20R2.16905 COCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000740836 [1,0,0,0,0,0|1,0,0]=2 125 B20R2.16905 COCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000740836 [1,0,0,0,0,0|1,0,0]=2 126 B20R2.16905 COCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000740836 [1,0,0,0,0,0|2,0,0]=3 127 B20R2.16905 COCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000740836 [1,0,0,0,0,0|2,0,0]=3 128 B20R2.16905 COCCCOc1ccccc1Oc2ccccn2 34a_100000748224_100000740836 [1,0,0,0,0,0|3,0,0]=4 129 B20R2.16905 COCCCSc1ccccc1Cc2ccccc2 62a_100000709357_200011216382 [1,0,0,0,0,0|1,1,0]=3 130 B20R2.16905 COCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000709357 [1,0,0,0,0,0|1,1,0]=3 131 B20R2.16905 COCCCSc1ccccc1Nc2ccccc2 62a_100000709357_100009815782 [1,0,0,0,0,0|2,1,0]=4 132 B20R2.16905 COCCCSc1ccccc1Oc2ccccc2 62a_100000709357_100000049502 [1,0,0,0,0,0|2,1,0]=4 133 B20R2.16905 COCCNCc1ccccc1Cc2ccccc2 207a_100000209980_100009842342 [1,0,0,0,0,0|2,0,0]=3 134 B20R2.16905 COCCNCc1ccccc1Cc2ccccc2 2230a_100000209980_100010254464 [1,0,0,0,0,0|2,0,0]=3 135 B20R2.16905 COCCNCc1ccccc1Cc2ccccc2 270004a_100000209980_100009842342 [1,0,0,0,0,0|2,0,0]=3 136 B20R2.16905 COCCNCc1ccccc1Oc2ccccc2 207a_100000209980_100011234122 [1,0,0,0,0,0|3,0,0]=4 137 B20R2.16905 COCCNCc1ccccc1Oc2ccccc2 2230a_100000209980_100000199117 [1,0,0,0,0,0|3,0,0]=4 138 B20R2.16905 COCCNCc1ccccc1Oc2ccccc2 2230a_100016987831_100011201679 [1,0,0,0,0,0|3,0,0]=4 139 B20R2.16905 COCCNCc1ccccc1Oc2ccccc2 270004a_100000209980_100011234122 [1,0,0,0,0,0|3,0,0]=4 140 B20R2.16905 COCCNCc1ccccc1Oc2ccccc2 34a_100016987831_100011201679 [1,0,0,0,0,0|3,0,0]=4 141 B20R2.16905 COCCOCc1ccccc1Cc2ccccc2 34a_100000210237_100010254464 [1,0,0,0,0,0|2,0,0]=3 142 B20R2.16905 COCCOCc1ccccc1Oc2ccccc2 34a_100000246416_100011201679 [1,0,0,0,0,0|3,0,0]=4 143 B20R2.16905 COCCOCc1ccccc1Oc2ccccc2 7a_100000246416_100000233755 [1,0,0,0,0,0|3,0,0]=4 144 B20R2.16905 COCCSCc1ccccc1Cc2ccccc2 62a_100000233755_100010254464 [1,0,0,0,0,0|2,0,0]=3 145 B20R2.16905 COCCSCc1ccccc1Cc2ccccc2 62a_100010254464_100000233755 [1,0,0,0,0,0|2,0,0]=3 146 B20R2.16905 COCCSCc1ccccc1Oc2ccccc2 62a_100000199117_100000233755 [1,0,0,0,0,0|3,0,0]=4 147 B20R2.16905 COCCSCc1ccccc1Oc2ccccc2 62a_100000233755_100000199117 [1,0,0,0,0,0|3,0,0]=4 148 B20R2.16905 CSCCNCc1ccccc1Cc2ccccc2 207a_100020590264_100009842342 [1,0,0,0,0,0|2,0,0]=3 149 B20R2.16905 CSCCNCc1ccccc1Cc2ccccc2 2230a_100020590264_100010254464 [1,0,0,0,0,0|2,0,0]=3 150 B20R2.16905 CSCCNCc1ccccc1Cc2ccccc2 270004a_100020590264_100009842342 [1,0,0,0,0,0|2,0,0]=3 151 B20R2.16905 CSCCNCc1ccccc1Oc2ccccc2 207a_100020590264_100011234122 [1,0,0,0,0,0|3,0,0]=4 152 B20R2.16905 CSCCNCc1ccccc1Oc2ccccc2 2230a_100016987831_100000751147 [1,0,0,0,0,0|3,0,0]=4 153 B20R2.16905 CSCCNCc1ccccc1Oc2ccccc2 2230a_100020590264_100000199117 [1,0,0,0,0,0|3,0,0]=4 154 B20R2.16905 CSCCNCc1ccccc1Oc2ccccc2 270004a_100020590264_100011234122 [1,0,0,0,0,0|3,0,0]=4 155 B20R2.16905 CSCCNCc1ccccc1Oc2ccccc2 34a_100016987831_100000212216 [1,0,0,0,0,0|3,0,0]=4 156 B20R2.16905 CSCCOCc1ccccc1Cc2ccccc2 34a_100000230434_100010254464 [1,0,0,0,0,0|2,0,0]=3 157 B20R2.16905 CSCCOCc1ccccc1Cc2ccccc2 7a_100000230434_100010254464 [1,0,0,0,0,0|2,0,0]=3 158 B20R2.16905 CSCCOCc1ccccc1Oc2ccccc2 34a_100000246416_100000212216 [1,0,0,0,0,0|3,0,0]=4 159 B20R2.16905 CSCCOCc1ccccc1Oc2ccccc2 7a_100000230434_100000199117 [1,0,0,0,0,0|3,0,0]=4 160 B20R2.16905 CSCCOCc1ccccc1Oc2ccccc2 7a_100000246416_100000212216 [1,0,0,0,0,0|3,0,0]=4 161 B20R2.16905 CSCCSCc1ccccc1Cc2ccccc2 62a_100000212216_100010254464 [1,0,0,0,0,0|2,0,0]=3 162 B20R2.16905 CSCCSCc1ccccc1Cc2ccccc2 62a_100010254464_100000751147 [1,0,0,0,0,0|2,0,0]=3 163 B20R2.16905 ClCCCOCc1ccccc1Cc2ccccc2 34a_100000230001_100010254464 [1,0,0,0,0,0|3,0,0]=4 164 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000729493 [1,0,0,0,0,0|2,0,0]=3 165 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000729493 [1,0,0,0,0,0|2,0,0]=3 166 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000729493 [1,0,0,0,0,0|2,0,0]=3 167 B20R2.16905 FCCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000729493 [1,0,0,0,0,0|3,0,0]=4 168 B20R2.16905 FCCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000729493 [1,0,0,0,0,0|3,0,0]=4 169 B20R2.16905 FCCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000729493 [1,0,0,0,0,0|1,0,0]=2 170 B20R2.16905 FCCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000729493 [1,0,0,0,0,0|1,0,0]=2 171 B20R2.16905 FCCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000729493 [1,0,0,0,0,0|2,0,0]=3 172 B20R2.16905 FCCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000729493 [1,0,0,0,0,0|2,0,0]=3 173 B20R2.16905 FCCCCOc1ccccc1Oc2ccccn2 34a_100000748224_100000729493 [1,0,0,0,0,0|3,0,0]=4 174 B20R2.16905 FCCCNCc1ccccc1Cc2ccccc2 207a_100015189416_100009842342 [1,0,0,0,0,0|3,0,0]=4 175 B20R2.16905 FCCCNCc1ccccc1Cc2ccccc2 2230a_100015189416_100010254464 [1,0,0,0,0,0|3,0,0]=4 176 B20R2.16905 FCCCNCc1ccccc1Cc2ccccc2 270004a_100015189416_100009842342 [1,0,0,0,0,0|3,0,0]=4 177 B20R2.16905 FCCCNCc1ccccc1Cc2ccccc2 34a_100015189416_100010254464 [1,0,0,0,0,0|3,0,0]=4 178 B20R2.16905 FCCCOCc1ccccc1Cc2ccccc2 34a_100000759539_100010254464 [1,0,0,0,0,0|3,0,0]=4 179 B20R2.16905 FCCCSCc1ccccc1Cc2ccccc2 62a_100010254464_100011934791 [1,0,0,0,0,0|3,0,0]=4 180 B20R2.16905 FCCCSCc1ccccc1Cc2ccccc2 62a_100011934791_100010254464 [1,0,0,0,0,0|3,0,0]=4 181 B20R2.16905 N#CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000687738 [1,0,0,0,0,0|1,0,2]=4 182 B20R2.16905 N#CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000687738 [1,0,0,0,0,0|1,0,2]=4 183 B20R2.16905 N#CCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000687738 [1,0,0,0,0,0|0,0,2]=3 184 B20R2.16905 N#CCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000687738 [1,0,0,0,0,0|1,0,2]=4 185 B20R2.16905 N#CCCCSc1ccccc1Cc2ccccc2 62a_100000687738_200011216382 [1,0,0,0,0,0|0,1,2]=4 186 B20R2.16905 N#CCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000687738 [1,0,0,0,0,0|0,1,2]=4 187 B20R2.16905 N#CCCNCc1ccccc1Cc2ccccc2 270004a_100000720768_100009842342 [1,0,0,0,0,0|3,0,0]=4 188 B20R2.16905 N#CCCSCc1ccccc1Cc2ccccc2 62a_100010254464_100011215226 [1,0,0,0,0,0|3,0,0]=4 189 B20R2.16905 N#CCCSCc1ccccc1Cc2ccccc2 62a_100011215226_100010254464 [1,0,0,0,0,0|3,0,0]=4 190 B20R2.16905 NCCCOCc1ccccc1Cc2ccccc2 34a_100000182051_100010254464 [1,0,0,0,0,0|2,0,0]=3 191 B20R2.16905 NOCCOCc1ccccc1Cc2ccccc2 34a_100000700252_100010254464 [1,0,0,0,0,0|3,0,0]=4 192 B20R2.16905 O=CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_200011292268 [1,0,0,0,0,0|2,0,1]=4 193 B20R2.16905 O=CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_200011292268 [1,0,0,0,0,0|2,0,1]=4 194 B20R2.16905 O=CCCCOc1ccccc1Cc2ccccc2 7a_100000211249_200011292268 [1,0,0,0,0,0|1,0,1]=3 195 B20R2.16905 O=CCCCOc1ccccc1Oc2ccccc2 7a_100000074787_200011292268 [1,0,0,0,0,0|2,0,1]=4 196 B20R2.16905 O=CCCCSc1ccccc1Cc2ccccc2 62a_200011216382_200011292268 [1,0,0,0,0,0|1,1,1]=4 197 B20R2.16905 O=CCCCSc1ccccc1Cc2ccccc2 62a_200011292268_200011216382 [1,0,0,0,0,0|1,1,1]=4 198 B20R2.16905 OCC#CCOc1ccccc1Cc2ccccc2 34a_100000211249_200000047223 [1,0,0,0,0,0|1,0,2]=4 199 B20R2.16905 OCC#CCOc1ccccc1Cc2ccccc2 7a_100000211249_200000047223 [1,0,0,0,0,0|1,0,2]=4 200 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210776 [1,0,0,0,0,0|2,0,0]=3 201 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100011216708 [1,0,0,0,0,0|2,0,0]=3 202 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210776 [1,0,0,0,0,0|2,0,0]=3 203 B20R2.16905 OCCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000210776 [1,0,0,0,0,0|3,0,0]=4 204 B20R2.16905 OCCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100011216708 [1,0,0,0,0,0|3,0,0]=4 205 B20R2.16905 OCCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000210776 [1,0,0,0,0,0|3,0,0]=4 206 B20R2.16905 OCCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100011216708 [1,0,0,0,0,0|1,0,0]=2 207 B20R2.16905 OCCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000210776 [1,0,0,0,0,0|1,0,0]=2 208 B20R2.16905 OCCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100011216708 [1,0,0,0,0,0|2,0,0]=3 209 B20R2.16905 OCCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000210776 [1,0,0,0,0,0|2,0,0]=3 210 B20R2.16905 OCCCCOc1ccccc1Oc2ccccn2 34a_100000748224_100011216708 [1,0,0,0,0,0|3,0,0]=4 211 B20R2.16905 OCCCCSc1ccccc1Cc2ccccc2 62a_100000210776_200011216382 [1,0,0,0,0,0|1,1,0]=3 212 B20R2.16905 OCCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000210776 [1,0,0,0,0,0|1,1,0]=3 213 B20R2.16905 OCCCCSc1ccccc1Nc2ccccc2 62a_100000210776_100009815782 [1,0,0,0,0,0|2,1,0]=4 214 B20R2.16905 OCCCCSc1ccccc1Oc2ccccc2 62a_100000210776_100000049502 [1,0,0,0,0,0|2,1,0]=4 215 B20R2.16905 OCCCNCc1ccccc1Cc2ccccc2 207a_100000182051_100009842342 [1,0,0,0,0,0|3,0,0]=4 216 B20R2.16905 OCCCNCc1ccccc1Cc2ccccc2 270004a_100000182051_100009842342 [1,0,0,0,0,0|3,0,0]=4 217 B20R2.16905 OCCCSCc1ccccc1Cc2ccccc2 62a_100010254464_100011215043 [1,0,0,0,0,0|3,0,0]=4 218 B20R2.16905 OCCCSCc1ccccc1Cc2ccccc2 62a_100011215043_100010254464 [1,0,0,0,0,0|3,0,0]=4 219 B20R2.2589 C#CCCCCNc1ccccc1c2ccccc2 34a_100000210918_100010269958 [0,0,0,0,1,0|2,0,1]=4 220 B20R2.2589 C#CCCCCOc1ccccc1c2ccccc2 34a_100000210297_100010269958 [0,0,0,0,1,0|1,0,1]=3 221 B20R2.2589 C#CCCCCOc1ccccc1c2ccccc2 7a_100000210297_100010269958 [0,0,0,0,1,0|1,0,1]=3 222 B20R2.2589 C#CCCCCOc1ccccc1c2ccccn2 34a_100012186605_100010269958 [0,0,0,0,1,0|2,0,1]=4 223 B20R2.2589 C#CCCCCOc1ccccc1c2ccccn2 7a_100012186605_100010269958 [0,0,0,0,1,0|2,0,1]=4 224 B20R2.2589 C#CCCCCOc1cccnc1c2ccccc2 34a_100011996219_100010269958 [0,0,0,0,1,0|2,0,1]=4 225 B20R2.2589 C#CCCCCOc1cccnc1c2ccccc2 7a_100011996219_100010269958 [0,0,0,0,1,0|2,0,1]=4 226 B20R2.2589 C#CCNCCOc1ccccc1c2ccccc2 2230a_100000746045_100000038162 [0,0,0,0,1,0|2,0,1]=4 227 B20R2.2589 C#CCNCCOc1ccccc1c2ccccc2 34a_100000746045_100000184674 [0,0,0,0,1,0|2,0,1]=4 228 B20R2.2589 C#CCOCCOc1ccccc1c2ccccc2 34a_100000210297_100010402529 [0,0,0,0,1,0|2,0,1]=4 229 B20R2.2589 C#CCOCCOc1ccccc1c2ccccc2 34a_200000345248_100000184674 [0,0,0,0,1,0|2,0,1]=4 230 B20R2.2589 C#CCOCCOc1ccccc1c2ccccc2 7a_100000210297_100010402529 [0,0,0,0,1,0|2,0,1]=4 231 B20R2.2589 C#CCOCCOc1ccccc1c2ccccc2 7a_200000345248_100000038162 [0,0,0,0,1,0|2,0,1]=4 232 B20R2.2589 C=CCCCCOc1ccccc1c2ccccn2 34a_100012186605_100011215482 [0,0,0,0,1,0|2,0,1]=4 233 B20R2.2589 C=CCCCCOc1ccccc1c2ccccn2 7a_100012186605_100011215482 [0,0,0,0,1,0|2,0,1]=4 234 B20R2.2589 C=CCCCCOc1cccnc1c2ccccc2 34a_100011996219_100011215482 [0,0,0,0,1,0|2,0,1]=4 235 B20R2.2589 C=CCCCCOc1cccnc1c2ccccc2 7a_100011996219_100011215482 [0,0,0,0,1,0|2,0,1]=4 236 B20R2.2589 C=CCNCCOc1ccccc1c2ccccc2 2230a_100000746045_100000210623 [0,0,0,0,1,0|2,0,1]=4 237 B20R2.2589 C=CCNCCOc1ccccc1c2ccccc2 34a_100000746045_100015514636 [0,0,0,0,1,0|2,0,1]=4 238 B20R2.2589 C=CCOCCOc1ccccc1c2ccccc2 34a_200000345248_100015514636 [0,0,0,0,1,0|2,0,1]=4 239 B20R2.2589 C=CCOCCOc1ccccc1c2ccccc2 7a_200000345248_100015514636 [0,0,0,0,1,0|2,0,1]=4 240 B20R2.2589 CCCCCCNc1ccccc1c2ccncc2 27a_100000210581_100010154595 [0,0,0,0,1,0|3,0,0]=4 241 B20R2.2589 CCCCCCNc1cccnc1c2ccccc2 27a_100000210581_100010138707 [0,0,0,0,1,0|3,0,0]=4 242 B20R2.2589 CCCCCCOc1ccccc1c2ccccn2 34a_100012186605_100000210314 [0,0,0,0,1,0|2,0,0]=3 243 B20R2.2589 CCCCCCOc1ccccc1c2ccccn2 7a_100012186605_100000210314 [0,0,0,0,1,0|2,0,0]=3 244 B20R2.2589 CCCCCCOc1cccnc1c2ccccc2 34a_100011996219_100000210314 [0,0,0,0,1,0|2,0,0]=3 245 B20R2.2589 CCCCCCOc1cccnc1c2ccccc2 7a_100011996219_100000210314 [0,0,0,0,1,0|2,0,0]=3 246 B20R2.2589 CCCCCNCc1ccccc1c2ccccc2 207a_100000209983_100011219292 [0,0,0,0,1,0|3,0,0]=4 247 B20R2.2589 CCCCCNCc1ccccc1c2ccccc2 2230a_100000209983_100009813379 [0,0,0,0,1,0|3,0,0]=4 248 B20R2.2589 CCCCCNCc1ccccc1c2ccccc2 270004a_100000209983_100011219292 [0,0,0,0,1,0|3,0,0]=4 249 B20R2.2589 CCCCCNCc1ccccc1c2ccccc2 34a_100000071662_100000718602 [0,0,0,0,1,0|3,0,0]=4 250 B20R2.2589 CCCCOCNc1ccccc1c2ccccc2 34a_100000210918_100011995733 [0,0,0,0,1,0|3,0,0]=4 251 B20R2.2589 CCCCOCOc1ccccc1c2ccccc2 34a_100000210297_100011995733 [0,0,0,0,1,0|2,0,0]=3 252 B20R2.2589 CCCCOCOc1ccccc1c2ccccn2 34a_100012186605_100011995733 [0,0,0,0,1,0|3,0,0]=4 253 B20R2.2589 CCCCOCOc1cccnc1c2ccccc2 34a_100011996219_100011995733 [0,0,0,0,1,0|3,0,0]=4 254 B20R2.2589 CCCNCCOc1ccccc1c2ccccc2 2230a_100000746045_100000210303 [0,0,0,0,1,0|2,0,0]=3 255 B20R2.2589 CCCNCCOc1ccccc1c2ccccc2 34a_100000746045_100000210303 [0,0,0,0,1,0|2,0,0]=3 256 B20R2.2589 CCCOCCNc1ccccc1c2ccccc2 34a_100000210918_100011215938 [0,0,0,0,1,0|3,0,0]=4 257 B20R2.2589 CCCOCCOc1ccccc1c2ccccc2 271570a_200012350181_100000210277 [0,0,0,0,1,0|2,0,0]=3 258 B20R2.2589 CCCOCCOc1ccccc1c2ccccc2 34a_100000210297_100011215938 [0,0,0,0,1,0|2,0,0]=3 259 B20R2.2589 CCCOCCOc1ccccc1c2ccccc2 34a_200000345248_100000210303 [0,0,0,0,1,0|2,0,0]=3 260 B20R2.2589 CCCOCCOc1ccccc1c2ccccc2 7a_100000210297_100011215938 [0,0,0,0,1,0|2,0,0]=3 261 B20R2.2589 CCCOCCOc1ccccc1c2ccccc2 7a_200000345248_100000210303 [0,0,0,0,1,0|2,0,0]=3 262 B20R2.2589 CCCOCCOc1ccccc1c2ccccn2 271570a_200012350181_100011216584 [0,0,0,0,1,0|3,0,0]=4 263 B20R2.2589 CCCOCCOc1ccccc1c2ccccn2 34a_100012186605_100011215938 [0,0,0,0,1,0|3,0,0]=4 264 B20R2.2589 CCCOCCOc1ccccc1c2ccccn2 7a_100012186605_100011215938 [0,0,0,0,1,0|3,0,0]=4 265 B20R2.2589 CCCOCCOc1ccccc1c2cccnc2 271570a_200012350181_100000752921 [0,0,0,0,1,0|3,0,0]=4 266 B20R2.2589 CCCOCCOc1ccccc1c2ccncc2 271570a_200012350181_100000035832 [0,0,0,0,1,0|3,0,0]=4 267 B20R2.2589 CCCOCCOc1cccnc1c2ccccc2 34a_100011996219_100011215938 [0,0,0,0,1,0|3,0,0]=4 268 B20R2.2589 CCCOCCOc1cccnc1c2ccccc2 7a_100011996219_100011215938 [0,0,0,0,1,0|3,0,0]=4 269 B20R2.2589 CCCOCCSc1ccccc1c2ccccc2 62a_100000033479_100011215938 [0,0,0,0,1,0|2,1,0]=4 270 B20R2.2589 CCCOCCSc1ccccc1c2ccccc2 62a_100011215938_100000033479 [0,0,0,0,1,0|2,1,0]=4 271 B20R2.2589 CCOCCCNc1ccccc1c2ccccc2 34a_100000210918_100012232248 [0,0,0,0,1,0|3,0,0]=4 272 B20R2.2589 CCOCCCOc1ccccc1c2ccccc2 34a_100000210297_100012232248 [0,0,0,0,1,0|2,0,0]=3 273 B20R2.2589 CCOCCCOc1ccccc1c2ccccc2 7a_100000210297_100012232248 [0,0,0,0,1,0|2,0,0]=3 274 B20R2.2589 CCOCCCOc1ccccc1c2ccccn2 34a_100012186605_100012232248 [0,0,0,0,1,0|3,0,0]=4 275 B20R2.2589 CCOCCCOc1ccccc1c2ccccn2 7a_100012186605_100012232248 [0,0,0,0,1,0|3,0,0]=4 276 B20R2.2589 CCOCCCOc1cccnc1c2ccccc2 34a_100011996219_100012232248 [0,0,0,0,1,0|3,0,0]=4 277 B20R2.2589 CCOCCCOc1cccnc1c2ccccc2 7a_100011996219_100012232248 [0,0,0,0,1,0|3,0,0]=4 278 B20R2.2589 CCOCCCSc1ccccc1c2ccccc2 62a_100000033479_100012232248 [0,0,0,0,1,0|2,1,0]=4 279 B20R2.2589 CCOCCCSc1ccccc1c2ccccc2 62a_100012232248_100000033479 [0,0,0,0,1,0|2,1,0]=4 280 B20R2.2589 CNCCCOCc1ccccc1c2ccccc2 34a_100000213112_100009813379 [0,0,0,0,1,0|2,0,0]=3 281 B20R2.2589 COCCCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000755781 [0,0,0,0,1,0|2,0,1]=4 282 B20R2.2589 COCCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000730899 [0,0,0,0,1,0|2,0,1]=4 283 B20R2.2589 COCCCCNc1ccccc1c2ccccc2 34a_100000210918_100000755781 [0,0,0,0,1,0|2,0,0]=3 284 B20R2.2589 COCCCCOc1ccccc1c2ccccc2 34a_100000210297_100000755781 [0,0,0,0,1,0|1,0,0]=2 285 B20R2.2589 COCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000730899 [0,0,0,0,1,0|1,0,0]=2 286 B20R2.2589 COCCCCOc1ccccc1c2ccccn2 34a_100012186605_100000755781 [0,0,0,0,1,0|2,0,0]=3 287 B20R2.2589 COCCCCOc1ccccc1c2ccccn2 7a_100012186605_100000730899 [0,0,0,0,1,0|2,0,0]=3 288 B20R2.2589 COCCCCOc1cccnc1c2ccccc2 34a_100011996219_100000755781 [0,0,0,0,1,0|2,0,0]=3 289 B20R2.2589 COCCCCOc1cccnc1c2ccccc2 7a_100011996219_100000730899 [0,0,0,0,1,0|2,0,0]=3 290 B20R2.2589 COCCCCSc1ccccc1c2ccccc2 62a_100000033479_100000730899 [0,0,0,0,1,0|1,1,0]=3 291 B20R2.2589 COCCCCSc1ccccc1c2ccccc2 62a_100000730899_100000033479 [0,0,0,0,1,0|1,1,0]=3 292 B20R2.2589 COCCCCSc1ccccc1c2ccccn2 62a_100000730899_100010202516 [0,0,0,0,1,0|2,1,0]=4 293 B20R2.2589 COCCCCSc1ccccc1c2ccccn2 62a_100010202516_100000730899 [0,0,0,0,1,0|2,1,0]=4 294 B20R2.2589 COCCCCSc1ccccc1c2ccncc2 62a_100000730899_100010154595 [0,0,0,0,1,0|2,1,0]=4 295 B20R2.2589 COCCCCSc1ccccc1c2ccncc2 62a_100010154595_100000730899 [0,0,0,0,1,0|2,1,0]=4 296 B20R2.2589 COCCCCSc1cccnc1c2ccccc2 62a_100000730899_100010138707 [0,0,0,0,1,0|2,1,0]=4 297 B20R2.2589 COCCCCSc1cccnc1c2ccccc2 62a_100010138707_100000730899 [0,0,0,0,1,0|2,1,0]=4 298 B20R2.2589 COCCCCSc1cnccc1c2ccccc2 62a_100000730899_100009816686 [0,0,0,0,1,0|2,1,0]=4 299 B20R2.2589 COCCCCSc1cnccc1c2ccccc2 62a_100009816686_100000730899 [0,0,0,0,1,0|2,1,0]=4 300 B20R2.2589 COCCCNCc1ccccc1c2ccccc2 207a_100150723488_100011219292 [0,0,0,0,1,0|3,0,0]=4 301 B20R2.2589 COCCCNCc1ccccc1c2ccccc2 270004a_100150723488_100011219292 [0,0,0,0,1,0|3,0,0]=4 302 B20R2.2589 COCCCNCc1ccccc1c2ccccc2 34a_100000071662_100000740836 [0,0,0,0,1,0|3,0,0]=4 303 B20R2.2589 COCCCNCc1ccccc1c2ccccc2 34a_100150723488_100009813379 [0,0,0,0,1,0|3,0,0]=4 304 B20R2.2589 COCCCOCc1ccccc1c2ccccc2 34a_100000032370_100000740836 [0,0,0,0,1,0|3,0,0]=4 305 B20R2.2589 COCCCOCc1ccccc1c2ccccc2 34a_100000740835_100009813379 [0,0,0,0,1,0|3,0,0]=4 306 B20R2.2589 COCCCOCc1ccccc1c2ccccc2 7a_100000032370_100000740836 [0,0,0,0,1,0|3,0,0]=4 307 B20R2.2589 COCCCSCc1ccccc1c2ccccc2 62a_100000709357_100009813379 [0,0,0,0,1,0|3,0,0]=4 308 B20R2.2589 COCCCSCc1ccccc1c2ccccc2 62a_100009813379_100000709357 [0,0,0,0,1,0|3,0,0]=4 309 B20R2.2589 COCCOCSc1ccccc1c2ccccc2 62a_100000033479_100000231047 [0,0,0,0,1,0|2,1,0]=4 310 B20R2.2589 COCCOCSc1ccccc1c2ccccc2 62a_100000231047_100000033479 [0,0,0,0,1,0|2,1,0]=4 311 B20R2.2589 COCNCCOc1ccccc1c2ccccc2 2230a_100000746045_100000766300 [0,0,0,0,1,0|2,0,0]=3 312 B20R2.2589 CSCCCNCc1ccccc1c2ccccc2 207a_100000749238_100011219292 [0,0,0,0,1,0|3,0,0]=4 313 B20R2.2589 CSCCCNCc1ccccc1c2ccccc2 2230a_100000749238_100009813379 [0,0,0,0,1,0|3,0,0]=4 314 B20R2.2589 CSCCCNCc1ccccc1c2ccccc2 270004a_100000749238_100011219292 [0,0,0,0,1,0|3,0,0]=4 315 B20R2.2589 CSCCCOCc1ccccc1c2ccccc2 34a_100000690336_100009813379 [0,0,0,0,1,0|3,0,0]=4 316 B20R2.2589 CSCCCOCc1ccccc1c2ccccc2 7a_100000690336_100009813379 [0,0,0,0,1,0|3,0,0]=4 317 B20R2.2589 CSCNCCOc1ccccc1c2ccccc2 2230a_100000746045_100011218213 [0,0,0,0,1,0|2,0,0]=3 318 B20R2.2589 CSCNCCOc1ccccc1c2ccccc2 34a_100000746045_100011218213 [0,0,0,0,1,0|2,0,0]=3 319 B20R2.2589 CSCOCCOc1ccccc1c2ccccc2 34a_200000345248_100011218213 [0,0,0,0,1,0|2,0,0]=3 320 B20R2.2589 FCCCCCNc1ccccc1c2ccccc2 34a_100000210918_100000729378 [0,0,0,0,1,0|3,0,0]=4 321 B20R2.2589 FCCCCCOc1ccccc1c2ccccc2 34a_100000210297_100000729378 [0,0,0,0,1,0|2,0,0]=3 322 B20R2.2589 FCCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000729378 [0,0,0,0,1,0|2,0,0]=3 323 B20R2.2589 FCCCCCOc1ccccc1c2ccccn2 34a_100012186605_100000729378 [0,0,0,0,1,0|3,0,0]=4 324 B20R2.2589 FCCCCCOc1ccccc1c2ccccn2 7a_100012186605_100000729378 [0,0,0,0,1,0|3,0,0]=4 325 B20R2.2589 FCCCCCOc1cccnc1c2ccccc2 34a_100011996219_100000729378 [0,0,0,0,1,0|3,0,0]=4 326 B20R2.2589 FCCCCCOc1cccnc1c2ccccc2 7a_100011996219_100000729378 [0,0,0,0,1,0|3,0,0]=4 327 B20R2.2589 FCCNCCOc1ccccc1c2ccccc2 2230a_100000746045_100011217306 [0,0,0,0,1,0|3,0,0]=4 328 B20R2.2589 FCCNCCOc1ccccc1c2ccccc2 34a_100000746045_100011217306 [0,0,0,0,1,0|3,0,0]=4 329 B20R2.2589 FCCOCCOc1ccccc1c2ccccc2 34a_200000345248_100011217306 [0,0,0,0,1,0|3,0,0]=4 330 B20R2.2589 FCCOCCOc1ccccc1c2ccccc2 7a_200000345248_100011217306 [0,0,0,0,1,0|3,0,0]=4 331 B20R2.2589 N#CCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000211819 [0,0,0,0,1,0|2,0,0]=3 332 B20R2.2589 N#CCCCCOc1ccccc1c2ccccn2 7a_100012186605_100000211819 [0,0,0,0,1,0|3,0,0]=4 333 B20R2.2589 N#CCCCCOc1cccnc1c2ccccc2 7a_100011996219_100000211819 [0,0,0,0,1,0|3,0,0]=4 334 B20R2.2589 N#CCNCCOc1ccccc1c2ccccc2 2230a_100000746045_100011215382 [0,0,0,0,1,0|3,0,0]=4 335 B20R2.2589 N#CCOCCOc1ccccc1c2ccccc2 7a_100000210297_200000047693 [0,0,0,0,1,0|3,0,0]=4 336 B20R2.2589 N#CCOCCOc1ccccc1c2ccccc2 7a_200000345248_100011215382 [0,0,0,0,1,0|3,0,0]=4 337 B20R2.2589 O=CCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000139335 [0,0,0,0,1,0|2,0,0]=3 338 B20R2.2589 O=CCCCCOc1ccccc1c2ccccn2 7a_100012186605_100000139335 [0,0,0,0,1,0|3,0,0]=4 339 B20R2.2589 O=CCCCCOc1cccnc1c2ccccc2 7a_100011996219_100000139335 [0,0,0,0,1,0|3,0,0]=4 340 B20R2.2589 O=CCCCCSc1ccccc1c2ccccc2 62a_100000033479_100000139335 [0,0,0,0,1,0|2,1,0]=4 341 B20R2.2589 O=CCCCCSc1ccccc1c2ccccc2 62a_100000139335_100000033479 [0,0,0,0,1,0|2,1,0]=4 342 B20R2.2589 O=CCNCCOc1ccccc1c2ccccc2 2230a_100000746045_200015260668 [0,0,0,0,1,0|3,0,0]=4 343 B20R2.2589 O=CCNCCOc1ccccc1c2ccccc2 34a_100000746045_200009817547 [0,0,0,0,1,0|3,0,0]=4 344 B20R2.2589 O=CCOCCOc1ccccc1c2ccccc2 34a_200000345248_200009817547 [0,0,0,0,1,0|3,0,0]=4 345 B20R2.2589 O=CCOCCOc1ccccc1c2ccccc2 7a_200000345248_200015260668 [0,0,0,0,1,0|3,0,0]=4 346 B20R2.2589 OCCCCCNc1ccccc1c2ccccc2 34a_100000210918_100000746330 [0,0,0,0,1,0|3,0,0]=4 347 B20R2.2589 OCCCCCOc1ccccc1c2ccccc2 34a_100000210297_100000746330 [0,0,0,0,1,0|2,0,0]=3 348 B20R2.2589 OCCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000746330 [0,0,0,0,1,0|2,0,0]=3 349 B20R2.2589 OCCCCCOc1ccccc1c2ccccn2 34a_100012186605_100000746330 [0,0,0,0,1,0|3,0,0]=4 350 B20R2.2589 OCCCCCOc1ccccc1c2ccccn2 7a_100012186605_100000746330 [0,0,0,0,1,0|3,0,0]=4 351 B20R2.2589 OCCCCCOc1cccnc1c2ccccc2 34a_100011996219_100000746330 [0,0,0,0,1,0|3,0,0]=4 352 B20R2.2589 OCCCCCOc1cccnc1c2ccccc2 7a_100011996219_100000746330 [0,0,0,0,1,0|3,0,0]=4 353 B20R2.2589 OCCCCCSc1ccccc1c2ccccc2 62a_100000033479_100000746330 [0,0,0,0,1,0|2,1,0]=4 354 B20R2.2589 OCCCCCSc1ccccc1c2ccccc2 62a_100000746330_100000033479 [0,0,0,0,1,0|2,1,0]=4 355 B20R2.2589 OCCNCCOc1ccccc1c2ccccc2 2230a_100000746045_100000211926 [0,0,0,0,1,0|3,0,0]=4 356 B20R2.2589 OCCNCCOc1ccccc1c2ccccc2 34a_100000746045_100000211926 [0,0,0,0,1,0|3,0,0]=4 357 B20R2.2589 OCCOCCOc1ccccc1c2ccccc2 34a_100000210297_100000692535 [0,0,0,0,1,0|3,0,0]=4 358 B20R2.2589 OCCOCCOc1ccccc1c2ccccc2 34a_200000345248_100000211926 [0,0,0,0,1,0|3,0,0]=4 359 B20R2.2589 OCCOCCOc1ccccc1c2ccccc2 7a_100000210297_100011215305 [0,0,0,0,1,0|3,0,0]=4 360 B20R2.2589 OCCOCCOc1ccccc1c2ccccc2 7a_200000345248_100000211926 [0,0,0,0,1,0|3,0,0]=4 361 B19R2.8977 BrCCOCc1ccccc1Cc2ccccc2 34a_100000211926_100010254464 [2,0,0,0,0,0|2,0,0]=4 362 B19R2.8977 C#CCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000688953 [2,0,0,0,0,0|0,0,2]=4 363 B19R2.8977 C#CCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000688953 [2,0,0,0,0,0|0,0,2]=4 364 B19R2.8977 C/C=C/COc1ccccc1Cc2ccccc2 34a_100000211249_100102629194 [2,0,0,0,0,0|0,0,2]=4 365 B19R2.8977 C/C=C/COc1ccccc1Cc2ccccc2 7a_100000211249_100102629194 [2,0,0,0,0,0|0,0,2]=4 366 B19R2.8977 C=CCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000754431 [2,0,0,0,0,0|0,0,2]=4 367 B19R2.8977 C=CCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000754431 [2,0,0,0,0,0|0,0,2]=4 368 B19R2.8977 CC#CCOc1ccccc1Cc2ccccc2 34a_100000211249_100000748600 [2,0,0,0,0,0|0,0,2]=4 369 B19R2.8977 CC#CCOc1ccccc1Cc2ccccc2 7a_100000211249_100000748600 [2,0,0,0,0,0|0,0,2]=4 370 B19R2.8977 CC=CCOc1ccccc1Cc2ccccc2 34a_100000211249_100000070051 [2,0,0,0,0,0|0,0,2]=4 371 B19R2.8977 CC=CCOc1ccccc1Cc2ccccc2 7a_100000211249_100000070051 [2,0,0,0,0,0|0,0,2]=4 372 B19R2.8977 CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210211 [2,0,0,0,0,0|1,0,0]=3 373 B19R2.8977 CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000210210 [2,0,0,0,0,0|1,0,0]=3 374 B19R2.8977 CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210211 [2,0,0,0,0,0|1,0,0]=3 375 B19R2.8977 CCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000210211 [2,0,0,0,0,0|2,0,0]=4 376 B19R2.8977 CCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000210210 [2,0,0,0,0,0|2,0,0]=4 377 B19R2.8977 CCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000210210 [2,0,0,0,0,0|0,0,0]=2 378 B19R2.8977 CCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000210211 [2,0,0,0,0,0|0,0,0]=2 379 B19R2.8977 CCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000210210 [2,0,0,0,0,0|1,0,0]=3 380 B19R2.8977 CCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000210211 [2,0,0,0,0,0|1,0,0]=3 381 B19R2.8977 CCCCOc1ccccc1Oc2ccccn2 34a_100000748224_100000210210 [2,0,0,0,0,0|2,0,0]=4 382 B19R2.8977 CCCCOc1ccccc1Sc2ccccn2 62a_100000230755_100011216584 [2,0,0,0,0,0|2,0,0]=4 383 B19R2.8977 CCCCOc1ccccc1Sc2ccccn2 62a_100011216584_100000230755 [2,0,0,0,0,0|2,0,0]=4 384 B19R2.8977 CCCCOc1ccccc1Sc2cccnc2 62a_100000210063_100000230755 [2,0,0,0,0,0|2,0,0]=4 385 B19R2.8977 CCCCOc1ccccc1Sc2cccnc2 62a_100000230755_100000210063 [2,0,0,0,0,0|2,0,0]=4 386 B19R2.8977 CCCCOc1ccccc1Sc2ccncc2 62a_100000230755_100000728582 [2,0,0,0,0,0|2,0,0]=4 387 B19R2.8977 CCCCOc1ccccc1Sc2ccncc2 62a_100000728582_100000230755 [2,0,0,0,0,0|2,0,0]=4 388 B19R2.8977 CCCNCc1ccccc1Cc2ccccc2 207a_100020643023_100009842342 [2,0,0,0,0,0|1,0,0]=3 389 B19R2.8977 CCCNCc1ccccc1Cc2ccccc2 270004a_100020643023_100009842342 [2,0,0,0,0,0|1,0,0]=3 390 B19R2.8977 CCCNCc1ccccc1Oc2ccccc2 207a_100020643023_100011234122 [2,0,0,0,0,0|2,0,0]=4 391 B19R2.8977 CCCNCc1ccccc1Oc2ccccc2 2230a_100016987831_100000210303 [2,0,0,0,0,0|2,0,0]=4 392 B19R2.8977 CCCNCc1ccccc1Oc2ccccc2 270004a_100020643023_100011234122 [2,0,0,0,0,0|2,0,0]=4 393 B19R2.8977 CCCNCc1ccccc1Oc2ccccc2 34a_100016987831_100000210303 [2,0,0,0,0,0|2,0,0]=4 394 B19R2.8977 CCCNCc1ccccc1Sc2ccccc2 62a_100000196483_100000041952 [2,0,0,0,0,0|2,0,0]=4 395 B19R2.8977 CCCNCc1ccccc1Sc2ccccc2 62a_100000719477_100000196483 [2,0,0,0,0,0|2,0,0]=4 396 B19R2.8977 CCCOCc1ccccc1Cc2ccccc2 34a_100000210258_100010254464 [2,0,0,0,0,0|1,0,0]=3 397 B19R2.8977 CCCOCc1ccccc1Oc2ccccc2 34a_100000246416_100000210303 [2,0,0,0,0,0|2,0,0]=4 398 B19R2.8977 CCCOCc1ccccc1Oc2ccccc2 7a_100000246416_100000210303 [2,0,0,0,0,0|2,0,0]=4 399 B19R2.8977 CCCSCc1ccccc1Cc2ccccc2 62a_100000210303_100010254464 [2,0,0,0,0,0|1,0,0]=3 400 B19R2.8977 CCCSCc1ccccc1Cc2ccccc2 62a_100010254464_100000210303 [2,0,0,0,0,0|1,0,0]=3 401 B19R2.8977 CCOCSc1ccccc1Cc2ccccc2 62a_100000739092_200011216382 [2,0,0,0,0,0|1,1,0]=4 402 B19R2.8977 CCOCSc1ccccc1Cc2ccccc2 62a_200011216382_100000739092 [2,0,0,0,0,0|1,1,0]=4 403 B19R2.8977 COCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011201679 [2,0,0,0,0,0|2,0,0]=4 404 B19R2.8977 COCCNc1ccccc1Cc2ccccc2 34a_100000211252_100011201679 [2,0,0,0,0,0|2,0,0]=4 405 B19R2.8977 COCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000233755 [2,0,0,0,0,0|2,0,0]=4 406 B19R2.8977 COCCOc1ccccc1Cc2ccccc2 34a_100000211249_100011201679 [2,0,0,0,0,0|1,0,0]=3 407 B19R2.8977 COCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000233755 [2,0,0,0,0,0|1,0,0]=3 408 B19R2.8977 COCCOc1ccccc1Oc2ccccc2 34a_100000074787_100011201679 [2,0,0,0,0,0|2,0,0]=4 409 B19R2.8977 COCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000233755 [2,0,0,0,0,0|2,0,0]=4 410 B19R2.8977 COCCOc1ccccc1Sc2ccccc2 62a_100000234100_100000041952 [2,0,0,0,0,0|2,0,0]=4 411 B19R2.8977 COCCOc1ccccc1Sc2ccccc2 62a_100000719477_100000234100 [2,0,0,0,0,0|2,0,0]=4 412 B19R2.8977 COCCSc1ccccc1Cc2ccccc2 62a_100000233755_200011216382 [2,0,0,0,0,0|1,1,0]=4 413 B19R2.8977 COCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000233755 [2,0,0,0,0,0|1,1,0]=4 414 B19R2.8977 COCSCc1ccccc1Cc2ccccc2 62a_100000766300_100010254464 [2,0,0,0,0,0|2,0,0]=4 415 B19R2.8977 COCSCc1ccccc1Cc2ccccc2 62a_100010254464_100000766300 [2,0,0,0,0,0|2,0,0]=4 416 B19R2.8977 CSCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000751147 [2,0,0,0,0,0|2,0,0]=4 417 B19R2.8977 CSCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000212216 [2,0,0,0,0,0|2,0,0]=4 418 B19R2.8977 CSCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000212216 [2,0,0,0,0,0|2,0,0]=4 419 B19R2.8977 CSCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000212216 [2,0,0,0,0,0|1,0,0]=3 420 B19R2.8977 CSCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000212216 [2,0,0,0,0,0|1,0,0]=3 421 B19R2.8977 CSCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000212216 [2,0,0,0,0,0|2,0,0]=4 422 B19R2.8977 CSCCOc1ccccc1Oc2ccccc2 7a_100000074787_100000212216 [2,0,0,0,0,0|2,0,0]=4 423 B19R2.8977 CSCCSc1ccccc1Cc2ccccc2 62a_100000212216_200011216382 [2,0,0,0,0,0|1,1,0]=4 424 B19R2.8977 CSCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000751147 [2,0,0,0,0,0|1,1,0]=4 425 B19R2.8977 CSCSCc1ccccc1Cc2ccccc2 62a_100010254464_100011218213 [2,0,0,0,0,0|2,0,0]=4 426 B19R2.8977 CSCSCc1ccccc1Cc2ccccc2 62a_100011218213_100010254464 [2,0,0,0,0,0|2,0,0]=4 427 B19R2.8977 FCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011934791 [2,0,0,0,0,0|2,0,0]=4 428 B19R2.8977 FCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100011934791 [2,0,0,0,0,0|2,0,0]=4 429 B19R2.8977 FCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011934791 [2,0,0,0,0,0|2,0,0]=4 430 B19R2.8977 FCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100011934791 [2,0,0,0,0,0|1,0,0]=3 431 B19R2.8977 FCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100011934791 [2,0,0,0,0,0|1,0,0]=3 432 B19R2.8977 FCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100011934791 [2,0,0,0,0,0|2,0,0]=4 433 B19R2.8977 FCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100011934791 [2,0,0,0,0,0|2,0,0]=4 434 B19R2.8977 FCCCSc1ccccc1Cc2ccccc2 62a_100011934791_200011216382 [2,0,0,0,0,0|1,1,0]=4 435 B19R2.8977 FCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100011934791 [2,0,0,0,0,0|1,1,0]=4 436 B19R2.8977 FCCNCc1ccccc1Cc2ccccc2 34a_100000724931_100010254464 [2,0,0,0,0,0|2,0,0]=4 437 B19R2.8977 FCCSCc1ccccc1Cc2ccccc2 62a_100010254464_100011217306 [2,0,0,0,0,0|2,0,0]=4 438 B19R2.8977 FCCSCc1ccccc1Cc2ccccc2 62a_100011217306_100010254464 [2,0,0,0,0,0|2,0,0]=4 439 B19R2.8977 N#CCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000184422 [2,0,0,0,0,0|0,0,2]=4 440 B19R2.8977 NCCOCc1ccccc1Cc2ccccc2 34a_100000210304_100010254464 [2,0,0,0,0,0|1,0,0]=3 441 B19R2.8977 OCCCCc1ccccc1Sc2ccccc2 62a_100000719477_100012092669 [2,0,0,0,0,0|2,0,0]=4 442 B19R2.8977 OCCCCc1ccccc1Sc2ccccc2 62a_100012092669_100000041952 [2,0,0,0,0,0|2,0,0]=4 443 B19R2.8977 OCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000230001 [2,0,0,0,0,0|2,0,0]=4 444 B19R2.8977 OCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000230001 [2,0,0,0,0,0|2,0,0]=4 445 B19R2.8977 OCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215043 [2,0,0,0,0,0|2,0,0]=4 446 B19R2.8977 OCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000230001 [2,0,0,0,0,0|1,0,0]=3 447 B19R2.8977 OCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100011215043 [2,0,0,0,0,0|1,0,0]=3 448 B19R2.8977 OCCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000230001 [2,0,0,0,0,0|2,0,0]=4 449 B19R2.8977 OCCCOc1ccccc1Oc2ccccc2 7a_100000074787_100011215043 [2,0,0,0,0,0|2,0,0]=4 450 B19R2.8977 OCCCSc1ccccc1Cc2ccccc2 62a_100011215043_200011216382 [2,0,0,0,0,0|1,1,0]=4 451 B19R2.8977 OCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100011215043 [2,0,0,0,0,0|1,1,0]=4 452 B19R2.8977 OCCNCc1ccccc1Cc2ccccc2 207a_100000210304_100009842342 [2,0,0,0,0,0|2,0,0]=4 453 B19R2.8977 OCCNCc1ccccc1Cc2ccccc2 2230a_100016997473_100010254464 [2,0,0,0,0,0|2,0,0]=4 454 B19R2.8977 OCCNCc1ccccc1Cc2ccccc2 270004a_100000210304_100009842342 [2,0,0,0,0,0|2,0,0]=4 455 B19R2.8977 OCCNCc1ccccc1Cc2ccccc2 34a_100016990907_100010254464 [2,0,0,0,0,0|2,0,0]=4 456 B19R2.8977 OCCSCc1ccccc1Cc2ccccc2 62a_100000211926_100010254464 [2,0,0,0,0,0|2,0,0]=4 457 B19R2.8977 OCCSCc1ccccc1Cc2ccccc2 62a_100010254464_100000211926 [2,0,0,0,0,0|2,0,0]=4 458 B21R3.57 c1ccc(cc1)Sc2ccccc2C3CCCCN3 62a_100000719477_100010004825 [1,0,0,1,0,0|2,0,0]=4 459 B21R3.57 c1ccc(cc1)Sc2ccccc2C3CCCCN3 62a_100010004825_100000041952 [1,0,0,1,0,0|2,0,0]=4 460 B21R3.57 c1ccc(cc1)Sc2ccccc2C3CNCCN3 62a_100000719477_200010178367 [1,0,0,1,0,0|2,0,0]=4 461 B21R3.57 c1ccc(cc1)Sc2ccccc2N3CCCCC3 62a_100000719477_100159312943 [1,0,0,1,0,0|2,0,0]=4 462 B21R3.57 c1ccc(cc1)Sc2ccccc2N3CCCCC3 62a_100159312943_100000041952 [1,0,0,1,0,0|2,0,0]=4 463 B21R3.3142 c1ccc(c(c1)OC2CCCC2)Sc3ccncc3 62a_100000728582_100011214840 [1,0,0,1,0,0|2,0,0]=4 464 B21R3.3142 c1ccc(c(c1)OC2CCCC2)Sc3ccncc3 62a_100011214840_100000728582 [1,0,0,1,0,0|2,0,0]=4 465 B21R3.3142 c1ccc(cc1)Cc2ccccc2CN3CCCC3 2230a_100000188435_100010254464 [1,0,0,1,0,0|2,0,0]=4 466 B21R3.3142 c1ccc(cc1)Cc2ccccc2CN3CCCC3 269982a_100000188435_100010254464 [1,0,0,1,0,0|2,0,0]=4 467 B21R3.3142 c1ccc(cc1)Cc2ccccc2CN3CCCC3 26a_100000188435_100000211249 [1,0,0,1,0,0|2,0,0]=4 468 B21R3.3142 c1ccc(cc1)Cc2ccccc2CN3CCCC3 270004a_100000188435_100009842342 [1,0,0,1,0,0|2,0,0]=4 469 B21R3.3142 c1ccc(cc1)Cc2ccccc2CN3CCSC3 2230a_100011215254_100010254464 [1,0,0,1,0,0|2,0,0]=4 470 B21R3.3142 c1ccc(cc1)Cc2ccccc2CN3CCSC3 269982a_100011215254_100010254464 [1,0,0,1,0,0|2,0,0]=4 471 B21R3.3142 c1ccc(cc1)Cc2ccccc2CN3CCSC3 26a_100011215254_100000211249 [1,0,0,1,0,0|2,0,0]=4 472 B21R3.3142 c1ccc(cc1)Cc2ccccc2CN3CCSC3 270004a_100011215254_100009842342 [1,0,0,1,0,0|2,0,0]=4 473 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCCC3 2230a_100000211252_100000179811 [1,0,0,1,0,0|1,0,0]=3 474 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCCC3 34a_100000211252_100000179811 [1,0,0,1,0,0|1,0,0]=3 475 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCCC3 7a_100000211252_100000179811 [1,0,0,1,0,0|1,0,0]=3 476 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCOC3 2230a_100000211252_100000731011 [1,0,0,1,0,0|2,0,0]=4 477 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCOC3 34a_100000211252_100000690089 [1,0,0,1,0,0|2,0,0]=4 478 B21R3.3142 c1ccc(cc1)Cc2ccccc2NC3CCOC3 7a_100000211252_100000731011 [1,0,0,1,0,0|2,0,0]=4 479 B21R3.3142 c1ccc(cc1)Cc2ccccc2OC3CCCC3 34a_100000211249_100000179811 [1,0,0,1,0,0|0,0,0]=2 480 B21R3.3142 c1ccc(cc1)Cc2ccccc2OC3CCCC3 7a_100000211249_100000179811 [1,0,0,1,0,0|0,0,0]=2 481 B21R3.3142 c1ccc(cc1)Cc2ccccc2OC3CCOC3 34a_100000211249_100000690089 [1,0,0,1,0,0|1,0,0]=3 482 B21R3.3142 c1ccc(cc1)Cc2ccccc2OC3CCOC3 7a_100000211249_100000731011 [1,0,0,1,0,0|1,0,0]=3 483 B21R3.3142 c1ccc(cc1)Cc2ccccc2SC3CCOC3 62a_200011216382_100000690089 [1,0,0,1,0,0|1,1,0]=4 484 B21R3.3142 c1ccc(cc1)Oc2ccccc2NC3CCCC3 2230a_100000182328_100000179811 [1,0,0,1,0,0|2,0,0]=4 485 B21R3.3142 c1ccc(cc1)Oc2ccccc2NC3CCCC3 34a_100000182328_100000179811 [1,0,0,1,0,0|2,0,0]=4 486 B21R3.3142 c1ccc(cc1)Oc2ccccc2OC3CCCC3 34a_100000074787_100000179811 [1,0,0,1,0,0|1,0,0]=3 487 B21R3.3142 c1ccc(cc1)Oc2ccccc2OC3CCCC3 7a_100000074787_100000179811 [1,0,0,1,0,0|1,0,0]=3 488 B21R3.3142 c1ccc(cc1)Oc2ccccc2OC3CCOC3 34a_100000074787_100000690089 [1,0,0,1,0,0|2,0,0]=4 489 B21R3.3142 c1ccc(cc1)Oc2ccccc2OC3CCOC3 7a_100000074787_100000731011 [1,0,0,1,0,0|2,0,0]=4 490 B21R3.3142 c1ccc(nc1)Oc2ccccc2OC3CCCC3 34a_100000748224_100000179811 [1,0,0,1,0,0|2,0,0]=4 491 B21R3.3142 c1ccc(nc1)Sc2ccccc2OC3CCCC3 62a_100011214840_100011216584 [1,0,0,1,0,0|2,0,0]=4 492 B21R3.3142 c1ccc(nc1)Sc2ccccc2OC3CCCC3 62a_100011216584_100011214840 [1,0,0,1,0,0|2,0,0]=4 493 B21R3.3142 c1cncc(c1)Sc2ccccc2OC3CCCC3 62a_100000210063_100011214840 [1,0,0,1,0,0|2,0,0]=4 494 B21R3.3142 c1cncc(c1)Sc2ccccc2OC3CCCC3 62a_100011214840_100000210063 [1,0,0,1,0,0|2,0,0]=4 495 B21R3.3413 CCCN1CCc2ccccc2[C@@H]1c3ccccc3 2230a_100010197342_100000210303 [1,0,0,1,0,0|2,0,0]=4 496 B21R3.3413 CCCN1CCc2ccccc2[C@@H]1c3ccccc3 269982a_100010197342_100000210303 [1,0,0,1,0,0|2,0,0]=4 497 B21R3.3413 CCCN1CCc2ccccc2[C@@H]1c3ccccc3 34a_100010197342_100000210303 [1,0,0,1,0,0|2,0,0]=4 498 B21R3.3413 COCN1CCc2ccccc2[C@@H]1c3ccccc3 2230a_100010197342_100000766300 [1,0,0,1,0,0|2,0,0]=4 499 B21R3.3413 COCN1CCc2ccccc2[C@@H]1c3ccccc3 269982a_100010197342_100000766300 [1,0,0,1,0,0|2,0,0]=4 500 B21R3.3413 CSCN1CCc2ccccc2[C@@H]1c3ccccc3 2230a_100010197342_100011218213 [1,0,0,1,0,0|2,0,0]=4 501 B21R3.3413 CSCN1CCc2ccccc2[C@@H]1c3ccccc3 269982a_100010197342_100011218213 [1,0,0,1,0,0|2,0,0]=4 502 B21R3.3413 CSCN1CCc2ccccc2[C@@H]1c3ccccc3 34a_100010197342_100011218213 [1,0,0,1,0,0|2,0,0]=4 503 B21R3.12411 CC1CCN1Cc2ccccc2Cc3ccccc3 269982a_100000755817_100010254464 [1,0,0,1,0,0|2,0,0]=4 504 B21R3.12411 CC1CCN1Cc2ccccc2Cc3ccccc3 26a_100000755817_100000211249 [1,0,0,1,0,0|2,0,0]=4 505 B21R3.12411 CC1CCN1Cc2ccccc2Cc3ccccc3 34a_100000755817_100010254464 [1,0,0,1,0,0|2,0,0]=4 506 B21R3.12411 O=C1CCC1Oc2ccccc2Cc3ccccc3 34a_100000211249_100009892977 [1,0,0,1,0,0|1,0,1]=4 507 B21R3.12411 O=C1CCC1Oc2ccccc2Cc3ccccc3 7a_100000211249_100009892977 [1,0,0,1,0,0|1,0,1]=4 508 B21R3.47878 c1ccc(cc1)Cc2ccccc2CNCC3CC3 207a_100000735609_100009842342 [1,0,0,1,0,0|2,0,0]=4 509 B21R3.47878 c1ccc(cc1)Cc2ccccc2CNCC3CC3 2230a_100000735609_100010254464 [1,0,0,1,0,0|2,0,0]=4 510 B21R3.47878 c1ccc(cc1)Cc2ccccc2CNCC3CC3 270004a_100000735609_100009842342 [1,0,0,1,0,0|2,0,0]=4 511 B21R3.47878 c1ccc(cc1)Cc2ccccc2CNCC3CC3 34a_100000735609_100010254464 [1,0,0,1,0,0|2,0,0]=4 512 B21R3.47878 c1ccc(cc1)Cc2ccccc2COCC3CC3 34a_100000211283_100010254464 [1,0,0,1,0,0|2,0,0]=4 513 B21R3.47878 c1ccc(cc1)Cc2ccccc2COC[C@@H]3CO3 34a_100000757423_100010254464 [1,0,0,1,0,0|2,0,0]=4 514 B21R3.47878 c1ccc(cc1)Cc2ccccc2CSCC3CC3 62a_100000756562_100010254464 [1,0,0,1,0,0|2,0,0]=4 515 B21R3.47878 c1ccc(cc1)Cc2ccccc2CSCC3CC3 62a_100010254464_100000742324 [1,0,0,1,0,0|2,0,0]=4 516 B21R3.47878 c1ccc(cc1)Cc2ccccc2CSCC3CO3 62a_100010254464_102125554688 [1,0,0,1,0,0|2,0,0]=4 517 B21R3.47878 c1ccc(cc1)Cc2ccccc2CSCC3CO3 62a_102125554688_100010254464 [1,0,0,1,0,0|2,0,0]=4 518 B21R3.47878 c1ccc(cc1)Cc2ccccc2CSCC3CS3 62a_100000031435_100010254464 [1,0,0,1,0,0|2,0,0]=4 519 B21R3.47878 c1ccc(cc1)Cc2ccccc2CSCC3CS3 62a_100010254464_100000031435 [1,0,0,1,0,0|2,0,0]=4 520 B21R3.47878 c1ccc(cc1)Cc2ccccc2CSC[C@@H]3CO3 62a_100000745022_100010254464 [1,0,0,1,0,0|2,0,0]=4 521 B21R3.47878 c1ccc(cc1)Cc2ccccc2CSC[C@@H]3CO3 62a_100010254464_100000745022 [1,0,0,1,0,0|2,0,0]=4 522 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CC3 2230a_100000211252_100000694398 [1,0,0,1,0,0|1,0,0]=3 523 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CC3 34a_100000211252_100000694398 [1,0,0,1,0,0|1,0,0]=3 524 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CC3 7a_100000211252_100000764125 [1,0,0,1,0,0|1,0,0]=3 525 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CO3 2230a_100000211252_100000732470 [1,0,0,1,0,0|2,0,0]=4 526 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CO3 34a_100000211252_100000732470 [1,0,0,1,0,0|2,0,0]=4 527 B21R3.47878 c1ccc(cc1)Cc2ccccc2NCCC3CO3 7a_100000211252_100000732470 [1,0,0,1,0,0|2,0,0]=4 528 B21R3.47878 c1ccc(cc1)Cc2ccccc2OCCC3CC3 34a_100000211249_100000694398 [1,0,0,1,0,0|0,0,0]=2 529 B21R3.47878 c1ccc(cc1)Cc2ccccc2OCCC3CC3 7a_100000211249_100000764125 [1,0,0,1,0,0|0,0,0]=2 530 B21R3.47878 c1ccc(cc1)Cc2ccccc2OCCC3CO3 34a_100000211249_100000732470 [1,0,0,1,0,0|1,0,0]=3 531 B21R3.47878 c1ccc(cc1)Cc2ccccc2OCCC3CO3 7a_100000211249_100000732470 [1,0,0,1,0,0|1,0,0]=3 532 B21R3.47878 c1ccc(cc1)Cc2ccccc2SCCC3CO3 62a_100000732470_200011216382 [1,0,0,1,0,0|1,1,0]=4 533 B21R3.47878 c1ccc(cc1)Cc2ccccc2SCCC3CO3 62a_200011216382_100000732470 [1,0,0,1,0,0|1,1,0]=4 534 B21R3.47878 c1ccc(cc1)Oc2ccccc2NCCC3CC3 2230a_100000182328_100000694398 [1,0,0,1,0,0|2,0,0]=4 535 B21R3.47878 c1ccc(cc1)Oc2ccccc2NCCC3CC3 34a_100000182328_100000694398 [1,0,0,1,0,0|2,0,0]=4 536 B21R3.47878 c1ccc(cc1)Oc2ccccc2OCCC3CC3 34a_100000074787_100000694398 [1,0,0,1,0,0|1,0,0]=3 537 B21R3.47878 c1ccc(cc1)Oc2ccccc2OCCC3CC3 7a_100000074787_100000764125 [1,0,0,1,0,0|1,0,0]=3 538 B21R3.47878 c1ccc(cc1)Oc2ccccc2OCCC3CO3 34a_100000074787_100000732470 [1,0,0,1,0,0|2,0,0]=4 539 B21R3.47878 c1ccc(cc1)Oc2ccccc2OCCC3CO3 7a_100000074787_100000732470 [1,0,0,1,0,0|2,0,0]=4 540 B21R3.47878 c1ccc(nc1)Oc2ccccc2OCCC3CC3 34a_100000748224_100000694398 [1,0,0,1,0,0|2,0,0]=4 541 B21R3.47892 c1ccc(cc1)Cc2ccccc2CNC3CCC3 2230a_100000749019_100010254464 [1,0,0,1,0,0|2,0,0]=4 542 B21R3.47892 c1ccc(cc1)Cc2ccccc2CNC3CCC3 34a_100000749019_100010254464 [1,0,0,1,0,0|2,0,0]=4 543 B21R3.47892 c1ccc(cc1)Cc2ccccc2CNC3COC3 207a_100016991112_100009842342 [1,0,0,1,0,0|2,0,0]=4 544 B21R3.47892 c1ccc(cc1)Cc2ccccc2CNC3COC3 2230a_100016991112_100010254464 [1,0,0,1,0,0|2,0,0]=4 545 B21R3.47892 c1ccc(cc1)Cc2ccccc2CNC3COC3 270004a_100016991112_100009842342 [1,0,0,1,0,0|2,0,0]=4 546 B21R3.47892 c1ccc(cc1)Cc2ccccc2CNC3CSC3 207a_100016994217_100009842342 [1,0,0,1,0,0|2,0,0]=4 547 B21R3.47892 c1ccc(cc1)Cc2ccccc2CNC3CSC3 270004a_100016994217_100009842342 [1,0,0,1,0,0|2,0,0]=4 548 B21R3.47892 c1ccc(cc1)Cc2ccccc2COC3CCC3 34a_100000748187_100010254464 [1,0,0,1,0,0|2,0,0]=4 549 B21R3.47892 c1ccc(cc1)Cc2ccccc2COC3CSC3 7a_100000072292_100010254464 [1,0,0,1,0,0|2,0,0]=4 550 B21R3.47892 c1ccc(cc1)Cc2ccccc2CSC3COC3 62a_100010254464_100009818527 [1,0,0,1,0,0|2,0,0]=4 551 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3CCC3 2230a_100000211252_100000763275 [1,0,0,1,0,0|1,0,0]=3 552 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3CCC3 34a_100000211252_100000763275 [1,0,0,1,0,0|1,0,0]=3 553 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3CCC3 7a_100000211252_100000763275 [1,0,0,1,0,0|1,0,0]=3 554 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3CCO3 2230a_100000211252_100000103362 [1,0,0,1,0,0|2,0,0]=4 555 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3CCO3 34a_100000211252_100000103362 [1,0,0,1,0,0|2,0,0]=4 556 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3CCO3 7a_100000211252_100000103362 [1,0,0,1,0,0|2,0,0]=4 557 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3COC3 2230a_100000211252_100010264016 [1,0,0,1,0,0|2,0,0]=4 558 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3COC3 34a_100000211252_100010264016 [1,0,0,1,0,0|2,0,0]=4 559 B21R3.47892 c1ccc(cc1)Cc2ccccc2NCC3COC3 7a_100000211252_100010264016 [1,0,0,1,0,0|2,0,0]=4 560 B21R3.47892 c1ccc(cc1)Cc2ccccc2OCC3CCC3 34a_100000211249_100000763275 [1,0,0,1,0,0|0,0,0]=2 561 B21R3.47892 c1ccc(cc1)Cc2ccccc2OCC3CCC3 7a_100000211249_100000763275 [1,0,0,1,0,0|0,0,0]=2 562 B21R3.47892 c1ccc(cc1)Cc2ccccc2OCC3CCO3 34a_100000211249_100000103362 [1,0,0,1,0,0|1,0,0]=3 563 B21R3.47892 c1ccc(cc1)Cc2ccccc2OCC3CCO3 7a_100000211249_100000103362 [1,0,0,1,0,0|1,0,0]=3 564 B21R3.47892 c1ccc(cc1)Cc2ccccc2OCC3COC3 34a_100000211249_100010264016 [1,0,0,1,0,0|1,0,0]=3 565 B21R3.47892 c1ccc(cc1)Cc2ccccc2OCC3COC3 7a_100000211249_100010264016 [1,0,0,1,0,0|1,0,0]=3 566 B21R3.47892 c1ccc(cc1)Cc2ccccc2SCC3CCO3 62a_100000103362_200011216382 [1,0,0,1,0,0|1,1,0]=4 567 B21R3.47892 c1ccc(cc1)Cc2ccccc2SCC3CCO3 62a_200011216382_100000103362 [1,0,0,1,0,0|1,1,0]=4 568 B21R3.47892 c1ccc(cc1)Cc2ccccc2SCC3COC3 62a_100010264016_200011216382 [1,0,0,1,0,0|1,1,0]=4 569 B21R3.47892 c1ccc(cc1)Cc2ccccc2SCC3COC3 62a_200011216382_100010264016 [1,0,0,1,0,0|1,1,0]=4 570 B21R3.47892 c1ccc(cc1)Oc2ccccc2NCC3CCC3 2230a_100000182328_100000763275 [1,0,0,1,0,0|2,0,0]=4 571 B21R3.47892 c1ccc(cc1)Oc2ccccc2NCC3CCC3 34a_100000182328_100000763275 [1,0,0,1,0,0|2,0,0]=4 572 B21R3.47892 c1ccc(cc1)Oc2ccccc2OCC3CCC3 34a_100000074787_100000763275 [1,0,0,1,0,0|1,0,0]=3 573 B21R3.47892 c1ccc(cc1)Oc2ccccc2OCC3CCC3 7a_100000074787_100000763275 [1,0,0,1,0,0|1,0,0]=3 574 B21R3.47892 c1ccc(cc1)Oc2ccccc2OCC3CCO3 34a_100000074787_100000103362 [1,0,0,1,0,0|2,0,0]=4 575 B21R3.47892 c1ccc(cc1)Oc2ccccc2OCC3CCO3 7a_100000074787_100000103362 [1,0,0,1,0,0|2,0,0]=4 576 B21R3.47892 c1ccc(cc1)Oc2ccccc2OCC3COC3 34a_100000074787_100010264016 [1,0,0,1,0,0|2,0,0]=4 577 B21R3.47892 c1ccc(cc1)Oc2ccccc2OCC3COC3 7a_100000074787_100010264016 [1,0,0,1,0,0|2,0,0]=4 578 B21R3.47892 c1ccc(nc1)Oc2ccccc2OCC3CCC3 34a_100000748224_100000763275 [1,0,0,1,0,0|2,0,0]=4 579 B21R3.146522 CCOCCOc1cccc2c1oc3c2cccc3 34a_100010256078_100000210147 [1,0,0,1,0,0|2,0,0]=4 580 B21R3.146522 CCOCCOc1cccc2c1oc3c2cccc3 7a_100010256078_100011215890 [1,0,0,1,0,0|2,0,0]=4 581 B21R3.146522 CCSCCOc1cccc2c1oc3c2cccc3 34a_100010256078_100000757381 [1,0,0,1,0,0|2,0,0]=4 582 B21R3.146522 CCSCCOc1cccc2c1oc3c2cccc3 7a_100010256078_100000757381 [1,0,0,1,0,0|2,0,0]=4 583 B21R3.146522 COCCCOc1cccc2c1oc3c2cccc3 34a_100010256078_100000740836 [1,0,0,1,0,0|2,0,0]=4 584 B21R3.146522 COCCCOc1cccc2c1oc3c2cccc3 7a_100010256078_100000740836 [1,0,0,1,0,0|2,0,0]=4 585 B21R3.146522 FCCCCOc1cccc2c1oc3c2cccc3 34a_100010256078_100000729493 [1,0,0,1,0,0|2,0,0]=4 586 B21R3.146522 FCCCCOc1cccc2c1oc3c2cccc3 7a_100010256078_100000729493 [1,0,0,1,0,0|2,0,0]=4 587 B21R3.146522 OCCCCOc1cccc2c1oc3c2cccc3 34a_100010256078_100011216708 [1,0,0,1,0,0|2,0,0]=4 588 B21R3.146522 OCCCCOc1cccc2c1oc3c2cccc3 7a_100010256078_100000210776 [1,0,0,1,0,0|2,0,0]=4 589 B21R3.350 O=C1CCCC1Oc2ccccc2c3ccccc3 34a_100000210297_100000709159 [0,0,0,1,1,0|2,0,0]=4 590 B21R3.350 O=C1CCCC1Oc2ccccc2c3ccccc3 7a_100000210297_100000211823 [0,0,0,1,1,0|2,0,0]=4 591 B21R3.3128 c1ccc(cc1)c2ccccc2NCC3CCCC3 34a_100000210918_100000740388 [0,0,0,1,1,0|2,0,0]=4 592 B21R3.3128 c1ccc(cc1)c2ccccc2NCC3CCOC3 34a_100000210918_100011261433 [0,0,0,1,1,0|2,0,0]=4 593 B21R3.3128 c1ccc(cc1)c2ccccc2OCC3CCCC3 34a_100000210297_100000740388 [0,0,0,1,1,0|1,0,0]=3 594 B21R3.3128 c1ccc(cc1)c2ccccc2OCC3CCCC3 7a_100000210297_100000740388 [0,0,0,1,1,0|1,0,0]=3 595 B21R3.3128 c1ccc(cc1)c2ccccc2OCC3CCCO3 7a_100000210297_100000203698 [0,0,0,1,1,0|2,0,0]=4 596 B21R3.3128 c1ccc(cc1)c2ccccc2OCC3CCOC3 34a_100000210297_100011261433 [0,0,0,1,1,0|1,0,0]=3 597 B21R3.3128 c1ccc(cc1)c2ccccc2OCC3CCOC3 7a_100000210297_100000702531 [0,0,0,1,1,0|1,0,0]=3 598 B21R3.3128 c1ccc(cc1)c2ccccc2SCC3CCOC3 62a_100000033479_100000702531 [0,0,0,1,1,0|1,1,0]=4 599 B21R3.3128 c1ccc(cc1)c2ccccc2SCC3CCOC3 62a_100000702531_100000033479 [0,0,0,1,1,0|1,1,0]=4 600 B21R3.3128 c1ccc(cc1)c2ncccc2OCC3CCCC3 34a_100011996219_100000740388 [0,0,0,1,1,0|2,0,0]=4 601 B21R3.3128 c1ccc(cc1)c2ncccc2OCC3CCCC3 7a_100011996219_100000740388 [0,0,0,1,1,0|2,0,0]=4 602 B21R3.3128 c1ccc(cc1)c2ncccc2OCC3CCOC3 34a_100011996219_100011261433 [0,0,0,1,1,0|2,0,0]=4 603 B21R3.3128 c1ccc(cc1)c2ncccc2OCC3CCOC3 7a_100011996219_100000702531 [0,0,0,1,1,0|2,0,0]=4 604 B21R3.3128 c1ccc(nc1)c2ccccc2OCC3CCCC3 34a_100012186605_100000740388 [0,0,0,1,1,0|2,0,0]=4 605 B21R3.3128 c1ccc(nc1)c2ccccc2OCC3CCCC3 7a_100012186605_100000740388 [0,0,0,1,1,0|2,0,0]=4 606 B21R3.3128 c1ccc(nc1)c2ccccc2OCC3CCOC3 34a_100012186605_100011261433 [0,0,0,1,1,0|2,0,0]=4 607 B21R3.3128 c1ccc(nc1)c2ccccc2OCC3CCOC3 7a_100012186605_100000702531 [0,0,0,1,1,0|2,0,0]=4 608 B21R3.47788 c1ccc(cc1)c2ccccc2NCCCC3CO3 34a_100000210918_100000733510 [0,0,0,1,1,0|2,0,0]=4 609 B21R3.47788 c1ccc(cc1)c2ccccc2OCCCC3CO3 34a_100000210297_100000733510 [0,0,0,1,1,0|1,0,0]=3 610 B21R3.47788 c1ccc(cc1)c2ccccc2OCCCC3CO3 7a_100000210297_100000733510 [0,0,0,1,1,0|1,0,0]=3 611 B21R3.47788 c1ccc(cc1)c2ccccc2OCCNC3CC3 34a_100000746045_100000211595 [0,0,0,1,1,0|2,0,0]=4 612 B21R3.47788 c1ccc(cc1)c2ccccc2OCCOC3CC3 34a_200000345248_100000211595 [0,0,0,1,1,0|2,0,0]=4 613 B21R3.47788 c1ccc(cc1)c2ccccc2SCCCC3CO3 62a_100000033479_100000733510 [0,0,0,1,1,0|1,1,0]=4 614 B21R3.47788 c1ccc(cc1)c2ccccc2SCCCC3CO3 62a_100000733510_100000033479 [0,0,0,1,1,0|1,1,0]=4 615 B21R3.47788 c1ccc(cc1)c2ncccc2OCCCC3CO3 34a_100011996219_100000733510 [0,0,0,1,1,0|2,0,0]=4 616 B21R3.47788 c1ccc(cc1)c2ncccc2OCCCC3CO3 7a_100011996219_100000733510 [0,0,0,1,1,0|2,0,0]=4 617 B21R3.47788 c1ccc(nc1)c2ccccc2OCCCC3CO3 34a_100012186605_100000733510 [0,0,0,1,1,0|2,0,0]=4 618 B21R3.47788 c1ccc(nc1)c2ccccc2OCCCC3CO3 7a_100012186605_100000733510 [0,0,0,1,1,0|2,0,0]=4 619 B21R3.47789 c1ccc(cc1)c2ccccc2COCC3CNC3 34a_100016987283_100009813379 [0,0,0,1,1,0|2,0,0]=4 620 B21R3.3772129 CNCCCCn1c2ccccc2c3c1cccc3 2230a_106832991635_100000426982 [0,0,0,1,1,0|1,0,0]=3 621 B21R3.3772129 CNCCCCn1c2ccccc2c3c1cccc3 7a_106832991635_100000426982 [0,0,0,1,1,0|1,0,0]=3 622 B19R2.127 C#CCCCOc1ccccc1c2ccccc2 34a_100000210297_100000695029 [1,0,0,0,1,0|0,0,2]=4 623 B19R2.127 C#CCCCOc1ccccc1c2ccccc2 7a_100000210297_100011215417 [1,0,0,0,1,0|0,0,2]=4 624 B19R2.127 C=CCCCOc1ccccc1c2ccccc2 34a_100000210297_100000757094 [1,0,0,0,1,0|0,0,2]=4 625 B19R2.127 C=CCCCOc1ccccc1c2ccccc2 7a_100000210297_100000757094 [1,0,0,0,1,0|0,0,2]=4 626 B19R2.127 CC/C=C\COc1ccccc1c2ccccc2 34a_100000210297_100103147603 [1,0,0,0,1,0|0,0,2]=4 627 B19R2.127 CC/C=C\COc1ccccc1c2ccccc2 7a_100000210297_100103147603 [1,0,0,0,1,0|0,0,2]=4 628 B19R2.127 CCC#CCOc1ccccc1c2ccccc2 34a_100000210297_100009813939 [1,0,0,0,1,0|0,0,2]=4 629 B19R2.127 CCC#CCOc1ccccc1c2ccccc2 7a_100000210297_100009813939 [1,0,0,0,1,0|0,0,2]=4 630 B19R2.127 CCCCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000718602 [1,0,0,0,1,0|1,0,1]=4 631 B19R2.127 CCCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000210326 [1,0,0,0,1,0|1,0,1]=4 632 B19R2.127 CCCCCNc1ccccc1c2ccccc2 34a_100000210918_100000718602 [1,0,0,0,1,0|1,0,0]=3 633 B19R2.127 CCCCCNc1ccccc1c2ccncc2 27a_100000209983_100010154595 [1,0,0,0,1,0|2,0,0]=4 634 B19R2.127 CCCCCNc1cccnc1c2ccccc2 27a_100000209983_100010138707 [1,0,0,0,1,0|2,0,0]=4 635 B19R2.127 CCCCCOc1ccccc1c2ccccc2 34a_100000210297_100000718602 [1,0,0,0,1,0|0,0,0]=2 636 B19R2.127 CCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000210326 [1,0,0,0,1,0|0,0,0]=2 637 B19R2.127 CCCCCOc1ccccc1c2ccccn2 34a_100012186605_100000718602 [1,0,0,0,1,0|1,0,0]=3 638 B19R2.127 CCCCCOc1ccccc1c2ccccn2 7a_100012186605_100000210326 [1,0,0,0,1,0|1,0,0]=3 639 B19R2.127 CCCCCOc1cccnc1c2ccccc2 34a_100011996219_100000718602 [1,0,0,0,1,0|1,0,0]=3 640 B19R2.127 CCCCCOc1cccnc1c2ccccc2 7a_100011996219_100000210326 [1,0,0,0,1,0|1,0,0]=3 641 B19R2.127 CCCCNCc1ccccc1c2ccccc2 207a_100000102301_100011219292 [1,0,0,0,1,0|2,0,0]=4 642 B19R2.127 CCCCNCc1ccccc1c2ccccc2 2230a_100000102301_100009813379 [1,0,0,0,1,0|2,0,0]=4 643 B19R2.127 CCCCNCc1ccccc1c2ccccc2 270004a_100000102301_100011219292 [1,0,0,0,1,0|2,0,0]=4 644 B19R2.127 CCCCNCc1ccccc1c2ccccc2 271570a_200010180756_100000210277 [1,0,0,0,1,0|2,0,0]=4 645 B19R2.127 CCCCNCc1ccccc1c2ccccc2 34a_100000071662_100000210210 [1,0,0,0,1,0|2,0,0]=4 646 B19R2.127 CCCCNCc1ccccc1c2ccccc2 7a_106832991798_100009813379 [1,0,0,0,1,0|2,0,0]=4 647 B19R2.127 CCCCOCc1ccccc1c2ccccc2 34a_100000032370_100000210210 [1,0,0,0,1,0|2,0,0]=4 648 B19R2.127 CCCCOCc1ccccc1c2ccccc2 34a_100000210227_100009813379 [1,0,0,0,1,0|2,0,0]=4 649 B19R2.127 CCCCOCc1ccccc1c2ccccc2 7a_100000032370_100000210211 [1,0,0,0,1,0|2,0,0]=4 650 B19R2.127 CCCCOCc1ccccc1c2ccccc2 7a_100000210227_100009813379 [1,0,0,0,1,0|2,0,0]=4 651 B19R2.127 CCNCCOc1ccccc1c2ccccc2 2230a_100000746045_100000210202 [1,0,0,0,1,0|1,0,0]=3 652 B19R2.127 CCNCCOc1ccccc1c2ccccc2 34a_100000746045_100000210202 [1,0,0,0,1,0|1,0,0]=3 653 B19R2.127 CCOCCNc1ccccc1c2ccccc2 34a_100000210918_100000210147 [1,0,0,0,1,0|2,0,0]=4 654 B19R2.127 CCOCCOc1ccccc1c2ccccc2 34a_100000210297_100000210147 [1,0,0,0,1,0|1,0,0]=3 655 B19R2.127 CCOCCOc1ccccc1c2ccccc2 34a_200000345248_100000210202 [1,0,0,0,1,0|1,0,0]=3 656 B19R2.127 CCOCCOc1ccccc1c2ccccc2 7a_100000210297_100011215890 [1,0,0,0,1,0|1,0,0]=3 657 B19R2.127 CCOCCOc1ccccc1c2ccccc2 7a_200000345248_100000210202 [1,0,0,0,1,0|1,0,0]=3 658 B19R2.127 CCOCCOc1ccccc1c2ccccn2 34a_100012186605_100000210147 [1,0,0,0,1,0|2,0,0]=4 659 B19R2.127 CCOCCOc1ccccc1c2ccccn2 7a_100012186605_100011215890 [1,0,0,0,1,0|2,0,0]=4 660 B19R2.127 CCOCCOc1cccnc1c2ccccc2 34a_100011996219_100000210147 [1,0,0,0,1,0|2,0,0]=4 661 B19R2.127 CCOCCOc1cccnc1c2ccccc2 7a_100011996219_100011215890 [1,0,0,0,1,0|2,0,0]=4 662 B19R2.127 CCOCCSc1ccccc1c2ccccc2 62a_100000033479_100011215890 [1,0,0,0,1,0|1,1,0]=4 663 B19R2.127 CCOCCSc1ccccc1c2ccccc2 62a_100000210147_100000033479 [1,0,0,0,1,0|1,1,0]=4 664 B19R2.127 CCSCCNc1ccccc1c2ccccc2 34a_100000210918_100000757381 [1,0,0,0,1,0|2,0,0]=4 665 B19R2.127 CCSCCOc1ccccc1c2ccccc2 34a_100000210297_100000757381 [1,0,0,0,1,0|1,0,0]=3 666 B19R2.127 CCSCCOc1ccccc1c2ccccc2 7a_100000210297_100000757381 [1,0,0,0,1,0|1,0,0]=3 667 B19R2.127 CCSCCOc1ccccc1c2ccccn2 34a_100012186605_100000757381 [1,0,0,0,1,0|2,0,0]=4 668 B19R2.127 CCSCCOc1ccccc1c2ccccn2 7a_100012186605_100000757381 [1,0,0,0,1,0|2,0,0]=4 669 B19R2.127 CCSCCOc1cccnc1c2ccccc2 34a_100011996219_100000757381 [1,0,0,0,1,0|2,0,0]=4 670 B19R2.127 CCSCCOc1cccnc1c2ccccc2 7a_100011996219_100000757381 [1,0,0,0,1,0|2,0,0]=4 671 B19R2.127 CNCCCOc1ccccc1c2ccccc2 271570a_100011218836_100015186278 [1,0,0,0,1,0|0,0,0]=2 672 B19R2.127 CNCCCOc1ccccc1c2ccccn2 271570a_100011264011_100015186278 [1,0,0,0,1,0|1,0,0]=3 673 B19R2.127 CNCCCOc1ccccc1c2cccnc2 271570a_100000757648_100015186278 [1,0,0,0,1,0|1,0,0]=3 674 B19R2.127 CNCCCOc1ccccc1c2ccncc2 271570a_100000752145_100015186278 [1,0,0,0,1,0|1,0,0]=3 675 B19R2.127 CNCCCOc1ccccc1c2cnccn2 271570a_100011962566_100015186278 [1,0,0,0,1,0|2,0,0]=4 676 B19R2.127 CNCCCOc1ccccc1c2cncnc2 271570a_100000707473_100015186278 [1,0,0,0,1,0|2,0,0]=4 677 B19R2.127 COCCCNc1ccccc1c2ccccc2 34a_100000210918_100000740836 [1,0,0,0,1,0|2,0,0]=4 678 B19R2.127 COCCCOc1ccccc1c2ccccc2 34a_100000210297_100000740836 [1,0,0,0,1,0|1,0,0]=3 679 B19R2.127 COCCCOc1ccccc1c2ccccc2 7a_100000210297_100000740836 [1,0,0,0,1,0|1,0,0]=3 680 B19R2.127 COCCCOc1ccccc1c2ccccn2 34a_100012186605_100000740836 [1,0,0,0,1,0|2,0,0]=4 681 B19R2.127 COCCCOc1ccccc1c2ccccn2 7a_100012186605_100000740836 [1,0,0,0,1,0|2,0,0]=4 682 B19R2.127 COCCCOc1cccnc1c2ccccc2 34a_100011996219_100000740836 [1,0,0,0,1,0|2,0,0]=4 683 B19R2.127 COCCCOc1cccnc1c2ccccc2 7a_100011996219_100000740836 [1,0,0,0,1,0|2,0,0]=4 684 B19R2.127 COCCCSc1ccccc1c2ccccc2 62a_100000033479_100000709357 [1,0,0,0,1,0|1,1,0]=4 685 B19R2.127 COCCCSc1ccccc1c2ccccc2 62a_100000709357_100000033479 [1,0,0,0,1,0|1,1,0]=4 686 B19R2.127 COCCNCc1ccccc1c2ccccc2 207a_100000209980_100011219292 [1,0,0,0,1,0|2,0,0]=4 687 B19R2.127 COCCNCc1ccccc1c2ccccc2 2230a_100000209980_100009813379 [1,0,0,0,1,0|2,0,0]=4 688 B19R2.127 COCCNCc1ccccc1c2ccccc2 270004a_100000209980_100011219292 [1,0,0,0,1,0|2,0,0]=4 689 B19R2.127 COCCNCc1ccccc1c2ccccc2 34a_100000071662_100011201679 [1,0,0,0,1,0|2,0,0]=4 690 B19R2.127 COCCOCc1ccccc1c2ccccc2 34a_100000032370_100011201679 [1,0,0,0,1,0|2,0,0]=4 691 B19R2.127 COCCOCc1ccccc1c2ccccc2 34a_100000210237_100009813379 [1,0,0,0,1,0|2,0,0]=4 692 B19R2.127 COCCOCc1ccccc1c2ccccc2 7a_100000032370_100000233755 [1,0,0,0,1,0|2,0,0]=4 693 B19R2.127 COCCSCc1ccccc1c2ccccc2 62a_100000233755_100009813379 [1,0,0,0,1,0|2,0,0]=4 694 B19R2.127 COCCSCc1ccccc1c2ccccc2 62a_100009813379_100000233755 [1,0,0,0,1,0|2,0,0]=4 695 B19R2.127 CSCCNCc1ccccc1c2ccccc2 207a_100020590264_100011219292 [1,0,0,0,1,0|2,0,0]=4 696 B19R2.127 CSCCNCc1ccccc1c2ccccc2 2230a_100020590264_100009813379 [1,0,0,0,1,0|2,0,0]=4 697 B19R2.127 CSCCNCc1ccccc1c2ccccc2 270004a_100020590264_100011219292 [1,0,0,0,1,0|2,0,0]=4 698 B19R2.127 CSCCNCc1ccccc1c2ccccc2 34a_100000071662_100000212216 [1,0,0,0,1,0|2,0,0]=4 699 B19R2.127 CSCCOCc1ccccc1c2ccccc2 34a_100000032370_100000212216 [1,0,0,0,1,0|2,0,0]=4 700 B19R2.127 CSCCOCc1ccccc1c2ccccc2 34a_100000230434_100009813379 [1,0,0,0,1,0|2,0,0]=4 701 B19R2.127 CSCCOCc1ccccc1c2ccccc2 7a_100000032370_100000212216 [1,0,0,0,1,0|2,0,0]=4 702 B19R2.127 CSCCOCc1ccccc1c2ccccc2 7a_100000230434_100009813379 [1,0,0,0,1,0|2,0,0]=4 703 B19R2.127 CSCCSCc1ccccc1c2ccccc2 62a_100000212216_100009813379 [1,0,0,0,1,0|2,0,0]=4 704 B19R2.127 CSCCSCc1ccccc1c2ccccc2 62a_100009813379_100000751147 [1,0,0,0,1,0|2,0,0]=4 705 B19R2.127 FCCCCNc1ccccc1c2ccccc2 34a_100000210918_100000729493 [1,0,0,0,1,0|2,0,0]=4 706 B19R2.127 FCCCCOc1ccccc1c2ccccc2 34a_100000210297_100000729493 [1,0,0,0,1,0|1,0,0]=3 707 B19R2.127 FCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000729493 [1,0,0,0,1,0|1,0,0]=3 708 B19R2.127 FCCCCOc1ccccc1c2ccccn2 34a_100012186605_100000729493 [1,0,0,0,1,0|2,0,0]=4 709 B19R2.127 FCCCCOc1ccccc1c2ccccn2 7a_100012186605_100000729493 [1,0,0,0,1,0|2,0,0]=4 710 B19R2.127 FCCCCOc1cccnc1c2ccccc2 34a_100011996219_100000729493 [1,0,0,0,1,0|2,0,0]=4 711 B19R2.127 FCCCCOc1cccnc1c2ccccc2 7a_100011996219_100000729493 [1,0,0,0,1,0|2,0,0]=4 712 B19R2.127 FCNCCOc1ccccc1c2ccccc2 34a_100000746045_100015361967 [1,0,0,0,1,0|2,0,0]=4 713 B19R2.127 FCOCCOc1ccccc1c2ccccc2 34a_200000345248_100015361967 [1,0,0,0,1,0|2,0,0]=4 714 B19R2.127 FCOCCOc1ccccc1c2ccccc2 7a_200000345248_100015361967 [1,0,0,0,1,0|2,0,0]=4 715 B19R2.127 N#CCCCOc1ccccc1c2ccccc2 7a_100000210297_100000687738 [1,0,0,0,1,0|0,0,2]=4 716 B19R2.127 NCCCOCc1ccccc1c2ccccc2 34a_100000182051_100009813379 [1,0,0,0,1,0|2,0,0]=4 717 B19R2.127 O=CCCCOc1ccccc1c2ccccc2 7a_100000210297_200011292268 [1,0,0,0,1,0|1,0,1]=4 718 B19R2.127 OCCCCNc1ccccc1c2ccccc2 34a_100000210918_100011216708 [1,0,0,0,1,0|2,0,0]=4 719 B19R2.127 OCCCCOc1ccccc1c2ccccc2 34a_100000210297_100011216708 [1,0,0,0,1,0|1,0,0]=3 720 B19R2.127 OCCCCOc1ccccc1c2ccccc2 7a_100000210297_100000210776 [1,0,0,0,1,0|1,0,0]=3 721 B19R2.127 OCCCCOc1ccccc1c2ccccn2 34a_100012186605_100011216708 [1,0,0,0,1,0|2,0,0]=4 722 B19R2.127 OCCCCOc1ccccc1c2ccccn2 7a_100012186605_100000210776 [1,0,0,0,1,0|2,0,0]=4 723 B19R2.127 OCCCCOc1cccnc1c2ccccc2 34a_100011996219_100011216708 [1,0,0,0,1,0|2,0,0]=4 724 B19R2.127 OCCCCOc1cccnc1c2ccccc2 7a_100011996219_100000210776 [1,0,0,0,1,0|2,0,0]=4 725 B19R2.127 OCCCCSc1ccccc1c2ccccc2 62a_100000033479_100000210776 [1,0,0,0,1,0|1,1,0]=4 726 B19R2.127 OCCCCSc1ccccc1c2ccccc2 62a_100000210776_100000033479 [1,0,0,0,1,0|1,1,0]=4 727 B19R2.9411 CNCCCOc1ccccc1Sc2ccco2 62a_100009814098_100015186278 [1,0,0,0,1,0|2,0,0]=4 728 B19R2.9411 CNCCCOc1ccccc1Sc2ccco2 62a_100015186278_100009814098 [1,0,0,0,1,0|2,0,0]=4 729 B19R2.9411 CNCCCOc1ccccc1Sc2cccs2 62a_100011215356_100015186278 [1,0,0,0,1,0|2,0,0]=4 730 B19R2.9411 CNCCCOc1ccccc1Sc2cccs2 62a_100015186278_100011215356 [1,0,0,0,1,0|2,0,0]=4 731 B19R2.9411 CNCCCOc1ccccc1Sc2ccoc2 62a_100011215275_100015186278 [1,0,0,0,1,0|2,0,0]=4 732 B19R2.9411 CNCCCOc1ccccc1Sc2ccoc2 62a_100015186278_100011215275 [1,0,0,0,1,0|2,0,0]=4 733 B19R2.9411 CNCCCOc1ccccc1Sc2ccsc2 62a_100000738268_100015186278 [1,0,0,0,1,0|2,0,0]=4 734 B19R2.9411 CNCCCOc1ccccc1Sc2ccsc2 62a_100015186278_100000738268 [1,0,0,0,1,0|2,0,0]=4 735 B19R2.1141 COCCCCOc1ccccc1c2ccsc2 34a_100011997965_100000755781 [0,0,0,0,2,0|2,0,0]=4 736 B19R2.1141 COCCCCOc1ccccc1c2ccsc2 7a_100011997965_100000730899 [0,0,0,0,2,0|2,0,0]=4