0 B13R2.15 CC1SCCN1c2cccnn2 27a_200011216479_100016991348 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.15 CC1SCCN1c2cnccn2 27a_200011216479_100000211759 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.15 CN1CCCC1c2ccccn2 2230a_100000744244_200000210301 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.15 CN1CCCC1c2ccccn2 269982a_100000744244_200000210301 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.15 CN1CCCC1c2cccnc2 2230a_100000233489_200000210301 [0,0,0,0,0,0|0,0,0]=0 8 B13R2.15 CN1CCCC1c2cccnc2 269982a_100000233489_200000210301 [0,0,0,0,0,0|0,0,0]=0 9 B13R2.15 CN1CCCC1c2ccncc2 2230a_106446545576_200000210301 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.15 CN1CCCC1c2ccncc2 269982a_106446545576_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.15 C[C@@H]1CCCN1c2cccnn2 27a_100015189458_100016991348 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.15 C[C@@H]1CCCN1c2cnccn2 27a_100015189458_100000211759 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.15 C[C@H]1CCCN1c2cccnn2 27a_100020605311_100016991348 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.15 C[C@H]1CCCN1c2cnccn2 27a_100020605311_100000211759 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.15 Cn1cccc1c2cccnc2 271570a_100000068268_100000752921 [0,0,0,0,0,0|0,0,4]=4 20 B13R2.15 Cn1ccnc1c2cccnc2 271570a_100000757648_100000707724 [0,0,0,0,0,0|1,0,3]=4 21 B13R2.15 Cn1cncc1c2cccnc2 271570a_100000757648_100009814087 [0,0,0,0,0,0|1,0,3]=4 22 B13R2.15 Cn1cncc1c2cccnc2 271570a_100009892668_100000752921 [0,0,0,0,0,0|1,0,3]=4 23 B13R2.15 Cn1nccc1c2cccnc2 271570a_100000707534_100000752921 [0,0,0,0,0,0|1,0,3]=4 24 B13R2.15 Cn1nccc1c2cccnc2 271570a_100000757648_100000688441 [0,0,0,0,0,0|1,0,3]=4 25 B13R2.15 Cn1ncnc1c2cccnc2 271570a_100000757648_100000732653 [0,0,0,0,0,0|2,0,2]=4 26 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,0,0,0,0,0|1,0,0]=1 27 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,0,0,0,0,0|1,0,0]=1 28 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,0,0,0,0,0|1,0,0]=1 29 B13R2.15 [13CH3]N1CCCC1c2ccccn2 2230a_100000744244_200025704644 [0,0,0,0,0,0|2,0,0]=2 30 B13R2.15 [13CH3]N1CCCC1c2ccccn2 269982a_100000744244_200025704644 [0,0,0,0,0,0|2,0,0]=2 31 B13R2.15 [13CH3]N1CCCC1c2cccnc2 2230a_100000233489_200025704644 [0,0,0,0,0,0|0,0,0]=0 32 B13R2.15 [13CH3]N1CCCC1c2cccnc2 269982a_100000233489_200025704644 [0,0,0,0,0,0|0,0,0]=0 33 B13R2.15 [13CH3]N1CCCC1c2ccncc2 2230a_106446545576_200025704644 [0,0,0,0,0,0|2,0,0]=2 34 B13R2.15 [13CH3]N1CCCC1c2ccncc2 269982a_106446545576_200025704644 [0,0,0,0,0,0|2,0,0]=2 35 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,0,0,0,0,0|2,0,0]=2 36 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,0,0,0,0,0|2,0,0]=2 37 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,0,0,0,0,0|2,0,0]=2 38 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,0,0,0,0,0|2,0,0]=2 39 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.2 C1=C(CCC1)c2cccnn2 271570a_100000089523_100016991348 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.2 C1=C(CCC1)c2ccnnc2 271570a_100000089523_100000732662 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.2 C1=C(CCC1)c2cnccn2 271570a_100000089523_100000758340 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.2 C1=C(CCC1)c2cncnc2 271570a_100000089523_100011206942 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.2 C1=C(CCO1)c2cccnc2 271570a_100000118173_100000752921 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.2 C1=C(COC1)c2cccnc2 271570a_100009872500_100000752921 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.2 c1cnc(cn1)N2CCCC2 27a_100000188435_100000211759 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.2 c1cnnc(c1)N2CCCC2 27a_100000188435_100016991348 [1,0,0,0,0,0|3,0,0]=4 49 B14R2.14 CCC1CCCN1c2cccnn2 27a_100000754278_100016991348 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.14 CCC1CCCN1c2cnccn2 27a_100000754278_100000211759 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.14 CCN1CCCC1c2ccccc2 2230a_100000243309_100000210202 [0,1,0,0,0,0|1,0,0]=2 52 B14R2.14 CCN1CCCC1c2ccccc2 269982a_100000243309_100000204670 [0,1,0,0,0,0|1,0,0]=2 53 B14R2.14 CCN1CCCC1c2ccccc2 34a_100000243309_100000210202 [0,1,0,0,0,0|1,0,0]=2 54 B14R2.14 CCN1CCCC1c2ccccn2 2230a_100000744244_100000210202 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.14 CCN1CCCC1c2ccccn2 269982a_100000744244_100000204670 [0,1,0,0,0,0|2,0,0]=3 56 B14R2.14 CCN1CCCC1c2cccnc2 2230a_100000233489_100000210202 [0,1,0,0,0,0|0,0,0]=1 57 B14R2.14 CCN1CCCC1c2cccnc2 269982a_100000233489_100000204670 [0,1,0,0,0,0|0,0,0]=1 58 B14R2.14 CCN1CCCC1c2ccncc2 2230a_106446545576_100000210202 [0,1,0,0,0,0|2,0,0]=3 59 B14R2.14 CCN1CCCC1c2ccncc2 269982a_106446545576_100000204670 [0,1,0,0,0,0|2,0,0]=3 60 B14R2.14 CCN1CCSC1c2ccccc2 2230a_100000215944_100000210202 [0,1,0,0,0,0|2,0,0]=3 61 B14R2.14 CCN1CCSC1c2ccccc2 269982a_100000215944_100000204670 [0,1,0,0,0,0|2,0,0]=3 62 B14R2.14 CCN1CCSC1c2ccccc2 34a_100000215944_100000210202 [0,1,0,0,0,0|2,0,0]=3 63 B14R2.14 CCN1CCSC1c2ccccc2 7a_100000215944_100000210202 [0,1,0,0,0,0|2,0,0]=3 64 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200000210301 [0,1,0,0,0,0|2,0,0]=3 65 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200000210301 [0,1,0,0,0,0|2,0,0]=3 66 B14R2.14 COC1COCC1c2ccccc2 34a_100010739164_200000210301 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.14 COC1COCC1c2ccccc2 7a_100010739164_200000210301 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.14 FCN1CCCC1c2ccccc2 269982a_100000243309_100015361967 [0,1,0,0,0,0|1,0,0]=2 69 B14R2.14 FCN1CCCC1c2ccccc2 34a_100000243309_100015361967 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.14 FCN1CCCC1c2ccccn2 269982a_100000744244_100015361967 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.14 FCN1CCCC1c2cccnc2 269982a_100000233489_100015361967 [0,1,0,0,0,0|0,0,0]=1 72 B14R2.14 FCN1CCCC1c2ccncc2 269982a_106446545576_100015361967 [0,1,0,0,0,0|2,0,0]=3 73 B14R2.14 FCN1CCSC1c2ccccc2 269982a_100000215944_100015361967 [0,1,0,0,0,0|2,0,0]=3 74 B14R2.14 FCN1CCSC1c2ccccc2 34a_100000215944_100015361967 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.14 FCN1CCSC1c2ccccc2 7a_100000215944_100015361967 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.14 OC[C@H]1CCCN1c2cccnn2 27a_100000745186_100016991348 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.14 OC[C@H]1CCCN1c2cnccn2 27a_100000745186_100000211759 [0,1,0,0,0,0|3,0,0]=4 78 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200025704644 [0,1,0,0,0,0|2,0,0]=3 79 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200025704644 [0,1,0,0,0,0|2,0,0]=3 80 B14R2.14 [13CH3]OC1COCC1c2ccccc2 34a_100010739164_200025704644 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.14 [13CH3]OC1COCC1c2ccccc2 7a_100010739164_200025704644 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.269 CN1CCCC1c2cccc(c2)Br 2230a_100015187783_200000210301 [0,1,0,0,0,0|1,0,0]=2 83 B14R2.269 CN1CCCC1c2cccc(c2)Br 269982a_100015187783_200000210301 [0,1,0,0,0,0|1,0,0]=2 84 B14R2.269 CN1CCCC1c2cccc(c2)Br 34a_100015187783_200000210301 [0,1,0,0,0,0|1,0,0]=2 85 B14R2.269 CN1CCCC1c2cccc(c2)Cl 2230a_100000741648_200000210301 [0,1,0,0,0,0|1,0,0]=2 86 B14R2.269 CN1CCCC1c2cccc(c2)Cl 269982a_100000741648_200000210301 [0,1,0,0,0,0|1,0,0]=2 87 B14R2.269 CN1CCCC1c2cccc(c2)Cl 34a_100000741648_200000210301 [0,1,0,0,0,0|1,0,0]=2 88 B14R2.269 CN1CCCC1c2cccc(c2)F 2230a_100000742875_200000210301 [0,1,0,0,0,0|1,0,0]=2 89 B14R2.269 CN1CCCC1c2cccc(c2)F 269982a_100000742875_200000210301 [0,1,0,0,0,0|1,0,0]=2 90 B14R2.269 CN1CCCC1c2cccc(c2)F 34a_100000742875_200000210301 [0,1,0,0,0,0|1,0,0]=2 91 B14R2.269 CN1CCCC1c2cncc(c2)Br 2230a_100012340264_200000210301 [0,1,0,0,0,0|0,0,0]=1 92 B14R2.269 CN1CCCC1c2cncc(c2)Br 269982a_100012340264_200000210301 [0,1,0,0,0,0|0,0,0]=1 93 B14R2.269 C[C@@H]1CCCN1c2cncc(n2)Cl 27a_100015189458_100010892449 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.269 C[C@@H]1CCCN1c2cncc(n2)F 27a_100015189458_200009863489 [0,1,0,0,0,0|3,0,0]=4 95 B14R2.269 C[C@H]1CCCN1c2cncc(n2)Cl 27a_100020605311_100010892449 [0,1,0,0,0,0|3,0,0]=4 96 B14R2.269 C[C@H]1CCCN1c2cncc(n2)F 27a_100020605311_200009863489 [0,1,0,0,0,0|3,0,0]=4 97 B14R2.269 Cc1cccc(c1)C2CCCN2C 2230a_100000741861_200000210301 [0,1,0,0,0,0|1,0,0]=2 98 B14R2.269 Cc1cccc(c1)C2CCCN2C 269982a_100000741861_200000210301 [0,1,0,0,0,0|1,0,0]=2 99 B14R2.269 Cc1cccc(c1)C2CCCN2C 34a_100000741861_200000210301 [0,1,0,0,0,0|1,0,0]=2 100 B14R2.269 Cc1cccc(c1)C2CCCN2[13CH3] 2230a_100000741861_200025704644 [0,1,0,0,0,0|1,0,0]=2 101 B14R2.269 Cc1cccc(c1)C2CCCN2[13CH3] 269982a_100000741861_200025704644 [0,1,0,0,0,0|1,0,0]=2 102 B14R2.269 Cc1cccc(c1)C2CCCN2[13CH3] 34a_100000741861_200025704644 [0,1,0,0,0,0|1,0,0]=2 103 B14R2.269 Cc1cncc(n1)N2CCC[C@@H]2C 27a_100020605311_100000754123 [0,1,0,0,0,0|3,0,0]=4 104 B14R2.269 Cc1cncc(n1)N2CCC[C@H]2C 27a_100015189458_100000754123 [0,1,0,0,0,0|3,0,0]=4 105 B14R2.269 Cc1cnnc(c1)N2CCC[C@@H]2C 27a_100020605311_100000070100 [0,1,0,0,0,0|3,0,0]=4 106 B14R2.269 Cc1cnnc(c1)N2CCC[C@H]2C 27a_100015189458_100000070100 [0,1,0,0,0,0|3,0,0]=4 107 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Br 2230a_100015187783_200025704644 [0,1,0,0,0,0|1,0,0]=2 108 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Br 269982a_100015187783_200025704644 [0,1,0,0,0,0|1,0,0]=2 109 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Br 34a_100015187783_200025704644 [0,1,0,0,0,0|1,0,0]=2 110 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Cl 2230a_100000741648_200025704644 [0,1,0,0,0,0|1,0,0]=2 111 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Cl 269982a_100000741648_200025704644 [0,1,0,0,0,0|1,0,0]=2 112 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Cl 34a_100000741648_200025704644 [0,1,0,0,0,0|1,0,0]=2 113 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)F 2230a_100000742875_200025704644 [0,1,0,0,0,0|1,0,0]=2 114 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)F 269982a_100000742875_200025704644 [0,1,0,0,0,0|1,0,0]=2 115 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)F 34a_100000742875_200025704644 [0,1,0,0,0,0|1,0,0]=2 116 B14R2.269 [13CH3]N1CCCC1c2cncc(c2)Br 2230a_100012340264_200025704644 [0,1,0,0,0,0|0,0,0]=1 117 B14R2.269 [13CH3]N1CCCC1c2cncc(c2)Br 269982a_100012340264_200025704644 [0,1,0,0,0,0|0,0,0]=1 118 B14R2.277 CC1CCC(N1c2cccnn2)C 27a_100000687148_100016991348 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.277 CC1CCC(N1c2cnccn2)C 27a_100000687148_100000211759 [0,1,0,0,0,0|3,0,0]=4 120 B14R2.296 CN1CCCC1c2ccccc2Br 2230a_100000686366_200000210301 [0,1,0,0,0,0|1,0,0]=2 121 B14R2.296 CN1CCCC1c2ccccc2Br 269982a_100000686366_200000210301 [0,1,0,0,0,0|1,0,0]=2 122 B14R2.296 CN1CCCC1c2ccccc2Br 34a_100000686366_200000210301 [0,1,0,0,0,0|1,0,0]=2 123 B14R2.296 CN1CCCC1c2ccccc2Cl 2230a_100000742539_200000210301 [0,1,0,0,0,0|1,0,0]=2 124 B14R2.296 CN1CCCC1c2ccccc2Cl 269982a_100000742539_200000210301 [0,1,0,0,0,0|1,0,0]=2 125 B14R2.296 CN1CCCC1c2ccccc2Cl 34a_100000742539_200000210301 [0,1,0,0,0,0|1,0,0]=2 126 B14R2.296 CN1CCCC1c2ccccc2F 2230a_100011206064_200000210301 [0,1,0,0,0,0|1,0,0]=2 127 B14R2.296 CN1CCCC1c2ccccc2F 269982a_100011206064_200000210301 [0,1,0,0,0,0|1,0,0]=2 128 B14R2.296 CN1CCCC1c2ccccc2F 34a_100011206064_200000210301 [0,1,0,0,0,0|1,0,0]=2 129 B14R2.296 C[C@@H]1CCCN1c2nccnc2F 27a_100015189458_200010125657 [0,1,0,0,0,0|3,0,0]=4 130 B14R2.296 C[C@H]1CCCN1c2nccnc2F 27a_100020605311_200010125657 [0,1,0,0,0,0|3,0,0]=4 131 B14R2.296 Cc1ccccc1C2CCCN2C 2230a_100000742541_200000210301 [0,1,0,0,0,0|1,0,0]=2 132 B14R2.296 Cc1ccccc1C2CCCN2C 269982a_100000742541_200000210301 [0,1,0,0,0,0|1,0,0]=2 133 B14R2.296 Cc1ccccc1C2CCCN2C 34a_100000742541_200000210301 [0,1,0,0,0,0|1,0,0]=2 134 B14R2.296 Cc1ccccc1C2CCCN2[13CH3] 2230a_100000742541_200025704644 [0,1,0,0,0,0|1,0,0]=2 135 B14R2.296 Cc1ccccc1C2CCCN2[13CH3] 269982a_100000742541_200025704644 [0,1,0,0,0,0|1,0,0]=2 136 B14R2.296 Cc1ccccc1C2CCCN2[13CH3] 34a_100000742541_200025704644 [0,1,0,0,0,0|1,0,0]=2 137 B14R2.296 Cc1ccnnc1N2CCC[C@@H]2C 27a_100020605311_100000089043 [0,1,0,0,0,0|3,0,0]=4 138 B14R2.296 Cc1ccnnc1N2CCC[C@H]2C 27a_100015189458_100000089043 [0,1,0,0,0,0|3,0,0]=4 139 B14R2.296 Cc1nccnc1N2CCC[C@@H]2C 27a_100020605311_100011999405 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.296 Cc1nccnc1N2CCC[C@H]2C 27a_100015189458_100011999405 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.296 [13CH3]N1CCCC1c2ccccc2Br 2230a_100000686366_200025704644 [0,1,0,0,0,0|1,0,0]=2 142 B14R2.296 [13CH3]N1CCCC1c2ccccc2Br 269982a_100000686366_200025704644 [0,1,0,0,0,0|1,0,0]=2 143 B14R2.296 [13CH3]N1CCCC1c2ccccc2Br 34a_100000686366_200025704644 [0,1,0,0,0,0|1,0,0]=2 144 B14R2.296 [13CH3]N1CCCC1c2ccccc2Cl 2230a_100000742539_200025704644 [0,1,0,0,0,0|1,0,0]=2 145 B14R2.296 [13CH3]N1CCCC1c2ccccc2Cl 269982a_100000742539_200025704644 [0,1,0,0,0,0|1,0,0]=2 146 B14R2.296 [13CH3]N1CCCC1c2ccccc2Cl 34a_100000742539_200025704644 [0,1,0,0,0,0|1,0,0]=2 147 B14R2.296 [13CH3]N1CCCC1c2ccccc2F 2230a_100011206064_200025704644 [0,1,0,0,0,0|1,0,0]=2 148 B14R2.296 [13CH3]N1CCCC1c2ccccc2F 269982a_100011206064_200025704644 [0,1,0,0,0,0|1,0,0]=2 149 B14R2.296 [13CH3]N1CCCC1c2ccccc2F 34a_100011206064_200025704644 [0,1,0,0,0,0|1,0,0]=2 150 B14R2.926 CN1CCCC1c2ccc(cc2)Br 2230a_100000766735_200000210301 [0,1,0,0,0,0|1,0,0]=2 151 B14R2.926 CN1CCCC1c2ccc(cc2)Br 269982a_100000766735_200000210301 [0,1,0,0,0,0|1,0,0]=2 152 B14R2.926 CN1CCCC1c2ccc(cc2)Br 34a_100000766735_200000210301 [0,1,0,0,0,0|1,0,0]=2 153 B14R2.926 CN1CCCC1c2ccc(cc2)Cl 2230a_100000736974_200000210301 [0,1,0,0,0,0|1,0,0]=2 154 B14R2.926 CN1CCCC1c2ccc(cc2)Cl 269982a_100000736974_200000210301 [0,1,0,0,0,0|1,0,0]=2 155 B14R2.926 CN1CCCC1c2ccc(cc2)Cl 34a_100000736974_200000210301 [0,1,0,0,0,0|1,0,0]=2 156 B14R2.926 CN1CCCC1c2ccc(cc2)F 2230a_100000243150_200000210301 [0,1,0,0,0,0|1,0,0]=2 157 B14R2.926 CN1CCCC1c2ccc(cc2)F 269982a_100000243150_200000210301 [0,1,0,0,0,0|1,0,0]=2 158 B14R2.926 CN1CCCC1c2ccc(cc2)F 34a_100000243150_200000210301 [0,1,0,0,0,0|1,0,0]=2 159 B14R2.926 CN1CCCC1c2ccc(cn2)Br 2230a_100000728117_200000210301 [0,1,0,0,0,0|2,0,0]=3 160 B14R2.926 CN1CCCC1c2ccc(cn2)Br 269982a_100000728117_200000210301 [0,1,0,0,0,0|2,0,0]=3 161 B14R2.926 C[C@@H]1CCCN1c2cnc(cn2)Br 27a_100015189458_100010187541 [0,1,0,0,0,0|3,0,0]=4 162 B14R2.926 C[C@@H]1CCCN1c2cnc(cn2)F 27a_100015189458_100009856528 [0,1,0,0,0,0|3,0,0]=4 163 B14R2.926 C[C@H]1CCCN1c2cnc(cn2)Br 27a_100020605311_100010187541 [0,1,0,0,0,0|3,0,0]=4 164 B14R2.926 C[C@H]1CCCN1c2cnc(cn2)F 27a_100020605311_100009856528 [0,1,0,0,0,0|3,0,0]=4 165 B14R2.926 Cc1ccc(cc1)C2CCCN2C 2230a_100000736514_200000210301 [0,1,0,0,0,0|1,0,0]=2 166 B14R2.926 Cc1ccc(cc1)C2CCCN2C 269982a_100000736514_200000210301 [0,1,0,0,0,0|1,0,0]=2 167 B14R2.926 Cc1ccc(cc1)C2CCCN2C 34a_100000736514_200000210301 [0,1,0,0,0,0|1,0,0]=2 168 B14R2.926 Cc1ccc(cc1)C2CCCN2[13CH3] 2230a_100000736514_200025704644 [0,1,0,0,0,0|1,0,0]=2 169 B14R2.926 Cc1ccc(cc1)C2CCCN2[13CH3] 269982a_100000736514_200025704644 [0,1,0,0,0,0|1,0,0]=2 170 B14R2.926 Cc1ccc(cc1)C2CCCN2[13CH3] 34a_100000736514_200025704644 [0,1,0,0,0,0|1,0,0]=2 171 B14R2.926 Cc1ccc(nn1)N2CCC[C@@H]2C 27a_100020605311_100000744512 [0,1,0,0,0,0|3,0,0]=4 172 B14R2.926 Cc1ccc(nn1)N2CCC[C@H]2C 27a_100015189458_100000744512 [0,1,0,0,0,0|3,0,0]=4 173 B14R2.926 Cc1cnc(cn1)N2CCC[C@@H]2C 27a_100020605311_100000074397 [0,1,0,0,0,0|3,0,0]=4 174 B14R2.926 Cc1cnc(cn1)N2CCC[C@H]2C 27a_100015189458_100000074397 [0,1,0,0,0,0|3,0,0]=4 175 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Br 2230a_100000766735_200025704644 [0,1,0,0,0,0|1,0,0]=2 176 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Br 269982a_100000766735_200025704644 [0,1,0,0,0,0|1,0,0]=2 177 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Br 34a_100000766735_200025704644 [0,1,0,0,0,0|1,0,0]=2 178 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Cl 2230a_100000736974_200025704644 [0,1,0,0,0,0|1,0,0]=2 179 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Cl 269982a_100000736974_200025704644 [0,1,0,0,0,0|1,0,0]=2 180 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Cl 34a_100000736974_200025704644 [0,1,0,0,0,0|1,0,0]=2 181 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)F 2230a_100000243150_200025704644 [0,1,0,0,0,0|1,0,0]=2 182 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)F 269982a_100000243150_200025704644 [0,1,0,0,0,0|1,0,0]=2 183 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)F 34a_100000243150_200025704644 [0,1,0,0,0,0|1,0,0]=2 184 B14R2.926 [13CH3]N1CCCC1c2ccc(cn2)Br 2230a_100000728117_200025704644 [0,1,0,0,0,0|2,0,0]=3 185 B14R2.926 [13CH3]N1CCCC1c2ccc(cn2)Br 269982a_100000728117_200025704644 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,0,1,0,0,0|3,0,0]=4 187 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,0,1,0,0,0|3,0,0]=4 188 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,0,1,0,0,0|3,0,0]=4 189 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,0,1,0,0,0|3,0,0]=4 190 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,0,1,0,0,0|3,0,0]=4 191 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,0,1,0,0,0|1,0,0]=2 192 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,0,1,0,0,0|1,0,0]=2 193 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,0,1,0,0,0|1,0,0]=2 194 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [0,0,1,0,0,0|2,0,0]=3 195 B12R1.3 CCCC(NC)c1cccnc1 2230a_100011351308_200000210301 [0,0,1,0,0,0|0,0,0]=1 196 B12R1.3 CCCC(NC)c1cccnc1 269862a_106832991636_100000700227 [0,0,1,0,0,0|0,0,0]=1 197 B12R1.3 CCCC(NC)c1ccncc1 269862a_106832991636_100011350605 [0,0,1,0,0,0|2,0,0]=3 198 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,0,1,0,0,0|1,0,0]=2 199 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,0,1,0,0,0|1,0,0]=2 200 B12R1.3 CCCC(N[13CH3])c1cccnc1 2230a_100011351308_200025704644 [0,0,1,0,0,0|0,0,0]=1 201 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,0,1,0,0,0|2,0,0]=3 202 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,0,1,0,0,0|2,0,0]=3 203 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,0,1,0,0,0|2,0,0]=3 204 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,0,1,0,0,0|2,0,0]=3 205 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [0,0,1,0,0,0|3,0,0]=4 206 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [0,0,1,0,0,0|3,0,0]=4 207 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [0,0,1,0,0,0|3,0,0]=4 208 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [0,0,1,0,0,0|3,0,0]=4 209 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [0,0,1,0,0,0|3,0,0]=4 210 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [0,0,1,0,0,0|3,0,0]=4 211 B12R1.3 CCCN(CC)c1cccnn1 27a_100000226822_100016991348 [0,0,1,0,0,0|3,0,0]=4 212 B12R1.3 CCCN(CC)c1cnccn1 27a_100000226822_100000211759 [0,0,1,0,0,0|3,0,0]=4 213 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,0,1,0,0,0|3,0,0]=4 214 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,0,1,0,0,0|3,0,0]=4 215 B12R1.3 CCNC(CC)c1cccnc1 2230a_100000246009_100000210202 [0,0,1,0,0,0|2,0,0]=3 216 B12R1.3 CCNC(CC)c1cccnc1 269862a_100015525214_100011218761 [0,0,1,0,0,0|2,0,0]=3 217 B12R1.3 CCNC(CC)c1cnccn1 2230a_200016994365_100000210202 [0,0,1,0,0,0|3,0,0]=4 218 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,0,1,0,0,0|3,0,0]=4 219 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,0,1,0,0,0|3,0,0]=4 220 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,0,1,0,0,0|2,0,0]=3 221 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,0,1,0,0,0|2,0,0]=3 222 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,0,1,0,0,0|2,0,0]=3 223 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,0,1,0,0,0|2,0,0]=3 224 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,0,1,0,0,0|2,0,0]=3 225 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,0,1,0,0,0|2,0,0]=3 226 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,0,1,0,0,0|3,0,0]=4 227 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,0,1,0,0,0|3,0,0]=4 228 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,0,1,0,0,0|3,0,0]=4 229 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,0,1,0,0,0|3,0,0]=4 230 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,0,1,0,0,0|3,0,0]=4 231 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,0,1,0,0,0|2,0,0]=3 232 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,0,1,0,0,0|2,0,0]=3 233 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,0,1,0,0,0|3,0,0]=4 234 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,0,1,0,0,0|3,0,0]=4 235 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,0,1,0,0,0|3,0,0]=4 236 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,0,1,0,0,0|3,0,0]=4 237 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,0,1,0,0,0|2,0,0]=3 238 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,0,1,0,0,0|3,0,0]=4 239 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,0,1,0,0,0|3,0,0]=4 240 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,0,1,0,0,0|3,0,0]=4 241 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,0,1,0,0,0|3,0,0]=4 242 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,0,1,0,0,0|3,0,0]=4 243 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [0,0,1,0,0,0|3,0,0]=4 244 B12R1.8 C#CCCCOc1cccnc1 34a_100000210849_100000695029 [0,0,1,0,0,0|2,0,1]=4 245 B12R1.8 C#CCCCOc1cccnc1 7a_100000210849_100011215417 [0,0,1,0,0,0|2,0,1]=4 246 B12R1.8 C#CCCCSc1cccnc1 62a_100000210063_100011215417 [0,0,1,0,0,0|2,0,1]=4 247 B12R1.8 C#CCCCSc1cccnc1 62a_100011215417_100000210063 [0,0,1,0,0,0|2,0,1]=4 248 B12R1.8 C#CCCNCc1cccnc1 34a_100000755551_100000733263 [0,0,1,0,0,0|2,0,1]=4 249 B12R1.8 C#CCCOCc1cccnc1 34a_100011215631_100000733263 [0,0,1,0,0,0|2,0,1]=4 250 B12R1.8 C#CCCSCc1cccnc1 62a_100000688953_100000741622 [0,0,1,0,0,0|2,0,1]=4 251 B12R1.8 C#CCCSCc1cccnc1 62a_100000741622_100000688953 [0,0,1,0,0,0|2,0,1]=4 252 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [0,0,1,0,0,0|2,0,1]=4 253 B12R1.8 C#CCOCCc1cccnc1 34a_100011217484_100000184674 [0,0,1,0,0,0|2,0,1]=4 254 B12R1.8 C#CCSCCc1cccnc1 62a_100000038162_200011713674 [0,0,1,0,0,0|2,0,1]=4 255 B12R1.8 C/C=C/COCc1cccnc1 34a_100016270725_100000733263 [0,0,1,0,0,0|2,0,1]=4 256 B12R1.8 C/C=C/CSCc1cccnc1 62a_100000741622_100102629194 [0,0,1,0,0,0|2,0,1]=4 257 B12R1.8 C/C=C/CSCc1cccnc1 62a_100102629194_100000741622 [0,0,1,0,0,0|2,0,1]=4 258 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [0,0,1,0,0,0|2,0,1]=4 259 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [0,0,1,0,0,0|2,0,1]=4 260 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [0,0,1,0,0,0|2,0,1]=4 261 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [0,0,1,0,0,0|2,0,1]=4 262 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [0,0,1,0,0,0|2,0,1]=4 263 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [0,0,1,0,0,0|2,0,1]=4 264 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [0,0,1,0,0,0|2,0,1]=4 265 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [0,0,1,0,0,0|2,0,1]=4 266 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [0,0,1,0,0,0|2,0,1]=4 267 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [0,0,1,0,0,0|2,0,1]=4 268 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,0,1,0,0,0|2,0,1]=4 269 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,0,1,0,0,0|2,0,1]=4 270 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [0,0,1,0,0,0|2,0,1]=4 271 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [0,0,1,0,0,0|2,0,1]=4 272 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [0,0,1,0,0,0|2,0,1]=4 273 B12R1.8 CC#CCNCc1cccnc1 2230a_100000685387_100000741622 [0,0,1,0,0,0|2,0,1]=4 274 B12R1.8 CC#CCNCc1cccnc1 34a_100000685387_100000733263 [0,0,1,0,0,0|2,0,1]=4 275 B12R1.8 CC#CCOCc1cccnc1 34a_100000761923_100000733263 [0,0,1,0,0,0|2,0,1]=4 276 B12R1.8 CC#CCSCc1cccnc1 62a_100000741622_100000748600 [0,0,1,0,0,0|2,0,1]=4 277 B12R1.8 CC#CCSCc1cccnc1 62a_100000748600_100000741622 [0,0,1,0,0,0|2,0,1]=4 278 B12R1.8 CC=CCSCc1cccnc1 62a_100000070051_100000741622 [0,0,1,0,0,0|2,0,1]=4 279 B12R1.8 CC=CCSCc1cccnc1 62a_100000741622_100000070051 [0,0,1,0,0,0|2,0,1]=4 280 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,0,1,0,0,0|1,0,2]=4 281 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,0,1,0,0,0|3,0,0]=4 282 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,0,1,0,0,0|3,0,0]=4 283 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,0,1,0,0,0|3,0,0]=4 284 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,0,1,0,0,0|3,0,0]=4 285 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,0,1,0,0,0|3,0,0]=4 286 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,0,1,0,0,0|2,0,0]=3 287 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,0,1,0,0,0|2,0,0]=3 288 B12R1.8 CCCCCOc1ccnnc1 34a_100015204005_100000718602 [0,0,1,0,0,0|3,0,0]=4 289 B12R1.8 CCCCCOc1cncnc1 7a_100000754086_100000210326 [0,0,1,0,0,0|3,0,0]=4 290 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,0,1,0,0,0|3,0,0]=4 291 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,0,1,0,0,0|3,0,0]=4 292 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,0,1,0,0,0|2,0,0]=3 293 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,0,1,0,0,0|2,0,0]=3 294 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,0,1,0,0,0|3,0,0]=4 295 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,0,1,0,0,0|3,0,0]=4 296 B12R1.8 CCCCCSc1ccnnc1 62a_100000210326_100000732662 [0,0,1,0,0,0|3,0,0]=4 297 B12R1.8 CCCCCSc1ccnnc1 62a_100000732662_100000210326 [0,0,1,0,0,0|3,0,0]=4 298 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,0,1,0,0,0|3,0,0]=4 299 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,0,1,0,0,0|3,0,0]=4 300 B12R1.8 CCCCCSc1cncnc1 62a_100000210326_100011206942 [0,0,1,0,0,0|3,0,0]=4 301 B12R1.8 CCCCCSc1cncnc1 62a_100011206942_100000210326 [0,0,1,0,0,0|3,0,0]=4 302 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,0,1,0,0,0|3,0,0]=4 303 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,0,1,0,0,0|3,0,0]=4 304 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,0,1,0,0,0|3,0,0]=4 305 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,0,1,0,0,0|3,0,0]=4 306 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,0,1,0,0,0|3,0,0]=4 307 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,0,1,0,0,0|3,0,0]=4 308 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,0,1,0,0,0|2,0,0]=3 309 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,0,1,0,0,0|2,0,0]=3 310 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,0,1,0,0,0|2,0,0]=3 311 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,0,1,0,0,0|2,0,0]=3 312 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,0,1,0,0,0|3,0,0]=4 313 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,0,1,0,0,0|3,0,0]=4 314 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,0,1,0,0,0|3,0,0]=4 315 B12R1.8 CCCCNCc1ccnnc1 270004a_100000102301_100011934578 [0,0,1,0,0,0|3,0,0]=4 316 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,0,1,0,0,0|3,0,0]=4 317 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,0,1,0,0,0|3,0,0]=4 318 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,0,1,0,0,0|3,0,0]=4 319 B12R1.8 CCCCNCc1cncnc1 2230a_100000102301_100015196519 [0,0,1,0,0,0|3,0,0]=4 320 B12R1.8 CCCCNCc1cncnc1 2230a_100011243677_100000210211 [0,0,1,0,0,0|3,0,0]=4 321 B12R1.8 CCCCNCc1cncnc1 270004a_100000102301_100000749868 [0,0,1,0,0,0|3,0,0]=4 322 B12R1.8 CCCCNCc1cncnc1 7a_106832991798_100015196519 [0,0,1,0,0,0|3,0,0]=4 323 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,0,1,0,0,0|3,0,0]=4 324 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,0,1,0,0,0|3,0,0]=4 325 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,0,1,0,0,0|3,0,0]=4 326 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,0,1,0,0,0|3,0,0]=4 327 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,0,1,0,0,0|2,0,0]=3 328 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,0,1,0,0,0|2,0,0]=3 329 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,0,1,0,0,0|3,0,0]=4 330 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,0,1,0,0,0|3,0,0]=4 331 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,0,1,0,0,0|3,0,0]=4 332 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,0,1,0,0,0|3,0,0]=4 333 B12R1.8 CCCCOCc1cncnc1 34a_100000210227_100015196519 [0,0,1,0,0,0|3,0,0]=4 334 B12R1.8 CCCCOCc1cncnc1 7a_100000210227_100015196519 [0,0,1,0,0,0|3,0,0]=4 335 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,0,1,0,0,0|3,0,0]=4 336 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,0,1,0,0,0|3,0,0]=4 337 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,0,1,0,0,0|2,0,0]=3 338 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,0,1,0,0,0|2,0,0]=3 339 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,0,1,0,0,0|3,0,0]=4 340 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,0,1,0,0,0|3,0,0]=4 341 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,0,1,0,0,0|3,0,0]=4 342 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,0,1,0,0,0|3,0,0]=4 343 B12R1.8 CCCCSCc1cncnc1 62a_100000210211_100015196519 [0,0,1,0,0,0|3,0,0]=4 344 B12R1.8 CCCCSCc1cncnc1 62a_100015196519_100000210210 [0,0,1,0,0,0|3,0,0]=4 345 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,0,1,0,0,0|3,0,0]=4 346 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,0,1,0,0,0|3,0,0]=4 347 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,0,1,0,0,0|2,0,0]=3 348 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,0,1,0,0,0|3,0,0]=4 349 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,0,1,0,0,0|3,0,0]=4 350 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,0,1,0,0,0|3,0,0]=4 351 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,0,1,0,0,0|2,0,0]=3 352 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,0,1,0,0,0|3,0,0]=4 353 B12R1.8 CCCOCCc1cncnc1 34a_100011709255_100000210303 [0,0,1,0,0,0|3,0,0]=4 354 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,0,1,0,0,0|3,0,0]=4 355 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,0,1,0,0,0|3,0,0]=4 356 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,0,1,0,0,0|2,0,0]=3 357 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,0,1,0,0,0|2,0,0]=3 358 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,0,1,0,0,0|3,0,0]=4 359 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,0,1,0,0,0|3,0,0]=4 360 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,0,1,0,0,0|3,0,0]=4 361 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,0,1,0,0,0|2,0,0]=3 362 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,0,1,0,0,0|2,0,0]=3 363 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,0,1,0,0,0|3,0,0]=4 364 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,0,1,0,0,0|3,0,0]=4 365 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,0,1,0,0,0|3,0,0]=4 366 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,0,1,0,0,0|3,0,0]=4 367 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,0,1,0,0,0|2,0,0]=3 368 B12R1.8 CCOCCOc1cccnc1 34a_100000210849_100000210147 [0,0,1,0,0,0|3,0,0]=4 369 B12R1.8 CCOCCOc1cccnc1 7a_100000210849_100011215890 [0,0,1,0,0,0|3,0,0]=4 370 B12R1.8 CCOCCSc1cccnc1 62a_100000210063_100011215890 [0,0,1,0,0,0|3,0,0]=4 371 B12R1.8 CCOCCSc1cccnc1 62a_100000210147_100000210063 [0,0,1,0,0,0|3,0,0]=4 372 B12R1.8 CCOCSCc1cccnc1 62a_100000739092_100000741622 [0,0,1,0,0,0|3,0,0]=4 373 B12R1.8 CCOCSCc1cccnc1 62a_100000741622_100000739092 [0,0,1,0,0,0|3,0,0]=4 374 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,0,1,0,0,0|3,0,0]=4 375 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,0,1,0,0,0|3,0,0]=4 376 B12R1.8 CCSCCOc1cccnc1 34a_100000210849_100000757381 [0,0,1,0,0,0|3,0,0]=4 377 B12R1.8 CCSCCOc1cccnc1 7a_100000210849_100000757381 [0,0,1,0,0,0|3,0,0]=4 378 B12R1.8 CCSCCSc1cccnc1 62a_100000210063_100000757381 [0,0,1,0,0,0|3,0,0]=4 379 B12R1.8 CCSCCSc1cccnc1 62a_100000757381_100000210063 [0,0,1,0,0,0|3,0,0]=4 380 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,0,1,0,0,0|1,0,0]=2 381 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,0,1,0,0,0|1,0,0]=2 382 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,0,1,0,0,0|1,0,0]=2 383 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,0,1,0,0,0|1,0,0]=2 384 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,0,1,0,0,0|1,0,0]=2 385 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,0,1,0,0,0|2,0,0]=3 386 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,0,1,0,0,0|2,0,0]=3 387 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,0,1,0,0,0|2,0,0]=3 388 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,0,1,0,0,0|2,0,0]=3 389 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,0,1,0,0,0|2,0,0]=3 390 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,0,1,0,0,0|2,0,0]=3 391 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,0,1,0,0,0|2,0,0]=3 392 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,0,1,0,0,0|2,0,0]=3 393 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,0,1,0,0,0|2,0,0]=3 394 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,0,1,0,0,0|2,0,0]=3 395 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,0,1,0,0,0|2,0,0]=3 396 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,0,1,0,0,0|2,0,0]=3 397 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,0,1,0,0,0|2,0,0]=3 398 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,0,1,0,0,0|2,0,0]=3 399 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,0,1,0,0,0|2,0,0]=3 400 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,0,1,0,0,0|2,0,0]=3 401 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,0,1,0,0,0|2,0,0]=3 402 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,0,1,0,0,0|2,0,0]=3 403 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,0,1,0,0,0|2,0,0]=3 404 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,0,1,0,0,0|2,0,0]=3 405 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,0,1,0,0,0|2,0,0]=3 406 B12R1.8 COCCC#Cc1cccnc1 34a_200011376248_200000210301 [0,0,1,0,0,0|1,0,2]=4 407 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,0,1,0,0,0|2,0,0]=3 408 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,0,1,0,0,0|2,0,0]=3 409 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,0,1,0,0,0|2,0,0]=3 410 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,0,1,0,0,0|3,0,0]=4 411 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,0,1,0,0,0|1,0,0]=2 412 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,0,1,0,0,0|1,0,0]=2 413 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [0,0,1,0,0,0|3,0,0]=4 414 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,0,1,0,0,0|3,0,0]=4 415 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,0,1,0,0,0|3,0,0]=4 416 B12R1.8 COCCCNc1cccnn1 27a_100150723488_100016991348 [0,0,1,0,0,0|3,0,0]=4 417 B12R1.8 COCCCNc1cnccn1 27a_100150723488_100000211759 [0,0,1,0,0,0|3,0,0]=4 418 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,0,1,0,0,0|3,0,0]=4 419 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,0,1,0,0,0|3,0,0]=4 420 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,0,1,0,0,0|3,0,0]=4 421 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,0,1,0,0,0|3,0,0]=4 422 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,0,1,0,0,0|3,0,0]=4 423 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [0,0,1,0,0,0|2,0,0]=3 424 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [0,0,1,0,0,0|2,0,0]=3 425 B12R1.8 COCCCOc1ccnnc1 34a_100015204005_100000740836 [0,0,1,0,0,0|3,0,0]=4 426 B12R1.8 COCCCOc1cncnc1 7a_100000754086_100000740836 [0,0,1,0,0,0|3,0,0]=4 427 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,0,1,0,0,0|3,0,0]=4 428 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,0,1,0,0,0|3,0,0]=4 429 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,0,1,0,0,0|3,0,0]=4 430 B12R1.8 COCCCSc1cccnc1 62a_100000210063_100000709357 [0,0,1,0,0,0|2,0,0]=3 431 B12R1.8 COCCCSc1cccnc1 62a_100000709357_100000210063 [0,0,1,0,0,0|2,0,0]=3 432 B12R1.8 COCCCSc1cccnn1 62a_100000709357_100016991348 [0,0,1,0,0,0|3,0,0]=4 433 B12R1.8 COCCCSc1cccnn1 62a_100016991348_100000709357 [0,0,1,0,0,0|3,0,0]=4 434 B12R1.8 COCCCSc1ccnnc1 62a_100000709357_100000732662 [0,0,1,0,0,0|3,0,0]=4 435 B12R1.8 COCCCSc1ccnnc1 62a_100000732662_100000709357 [0,0,1,0,0,0|3,0,0]=4 436 B12R1.8 COCCCSc1cnccn1 62a_100000211759_100000709357 [0,0,1,0,0,0|3,0,0]=4 437 B12R1.8 COCCCSc1cnccn1 62a_100000709357_100000211759 [0,0,1,0,0,0|3,0,0]=4 438 B12R1.8 COCCCSc1cncnc1 62a_100000709357_100011206942 [0,0,1,0,0,0|3,0,0]=4 439 B12R1.8 COCCCSc1cncnc1 62a_100011206942_100000709357 [0,0,1,0,0,0|3,0,0]=4 440 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,0,1,0,0,0|3,0,0]=4 441 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,0,1,0,0,0|3,0,0]=4 442 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,0,1,0,0,0|3,0,0]=4 443 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,0,1,0,0,0|3,0,0]=4 444 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,0,1,0,0,0|3,0,0]=4 445 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,0,1,0,0,0|3,0,0]=4 446 B12R1.8 COCCNCc1cccnc1 207a_100000209980_100000209961 [0,0,1,0,0,0|2,0,0]=3 447 B12R1.8 COCCNCc1cccnc1 2230a_100000209980_100000741622 [0,0,1,0,0,0|2,0,0]=3 448 B12R1.8 COCCNCc1cccnc1 270004a_100000209980_100000209961 [0,0,1,0,0,0|2,0,0]=3 449 B12R1.8 COCCNCc1cccnn1 2230a_100000209980_100016990269 [0,0,1,0,0,0|3,0,0]=4 450 B12R1.8 COCCNCc1cccnn1 2230a_100159270163_100011201679 [0,0,1,0,0,0|3,0,0]=4 451 B12R1.8 COCCNCc1ccnnc1 270004a_100000209980_100011934578 [0,0,1,0,0,0|3,0,0]=4 452 B12R1.8 COCCNCc1cnccn1 2230a_100000209980_100016995436 [0,0,1,0,0,0|3,0,0]=4 453 B12R1.8 COCCNCc1cnccn1 270004a_100000209980_100000749867 [0,0,1,0,0,0|3,0,0]=4 454 B12R1.8 COCCNCc1cncnc1 2230a_100000209980_100015196519 [0,0,1,0,0,0|3,0,0]=4 455 B12R1.8 COCCNCc1cncnc1 2230a_100011243677_100011201679 [0,0,1,0,0,0|3,0,0]=4 456 B12R1.8 COCCNCc1cncnc1 270004a_100000209980_100000749868 [0,0,1,0,0,0|3,0,0]=4 457 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,0,1,0,0,0|3,0,0]=4 458 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,0,1,0,0,0|3,0,0]=4 459 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,0,1,0,0,0|3,0,0]=4 460 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,0,1,0,0,0|3,0,0]=4 461 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,0,1,0,0,0|3,0,0]=4 462 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,0,1,0,0,0|3,0,0]=4 463 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [0,0,1,0,0,0|2,0,0]=3 464 B12R1.8 COCCOCc1cccnn1 34a_100000210237_100016990269 [0,0,1,0,0,0|3,0,0]=4 465 B12R1.8 COCCOCc1cnccn1 34a_100000210237_100016995436 [0,0,1,0,0,0|3,0,0]=4 466 B12R1.8 COCCOCc1cncnc1 34a_100000210237_100015196519 [0,0,1,0,0,0|3,0,0]=4 467 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,0,1,0,0,0|3,0,0]=4 468 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,0,1,0,0,0|3,0,0]=4 469 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,0,1,0,0,0|3,0,0]=4 470 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,0,1,0,0,0|3,0,0]=4 471 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,0,1,0,0,0|3,0,0]=4 472 B12R1.8 COCCSCc1cccnc1 62a_100000233755_100000741622 [0,0,1,0,0,0|2,0,0]=3 473 B12R1.8 COCCSCc1cccnc1 62a_100000741622_100000233755 [0,0,1,0,0,0|2,0,0]=3 474 B12R1.8 COCCSCc1cccnn1 62a_100000233755_100016990269 [0,0,1,0,0,0|3,0,0]=4 475 B12R1.8 COCCSCc1cccnn1 62a_100016990269_100000233755 [0,0,1,0,0,0|3,0,0]=4 476 B12R1.8 COCCSCc1cnccn1 62a_100000233755_100016995436 [0,0,1,0,0,0|3,0,0]=4 477 B12R1.8 COCCSCc1cnccn1 62a_100016995436_100000233755 [0,0,1,0,0,0|3,0,0]=4 478 B12R1.8 COCCSCc1cncnc1 62a_100000233755_100015196519 [0,0,1,0,0,0|3,0,0]=4 479 B12R1.8 COCCSCc1cncnc1 62a_100015196519_100000233755 [0,0,1,0,0,0|3,0,0]=4 480 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,0,1,0,0,0|3,0,0]=4 481 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,0,1,0,0,0|2,0,0]=3 482 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,0,1,0,0,0|3,0,0]=4 483 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,0,1,0,0,0|3,0,0]=4 484 B12R1.8 COCSCCc1cccnc1 62a_100000766300_200011713674 [0,0,1,0,0,0|2,0,0]=3 485 B12R1.8 COCSCCc1cccnc1 62a_200011713674_100000766300 [0,0,1,0,0,0|2,0,0]=3 486 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,0,1,0,0,0|2,0,0]=3 487 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,0,1,0,0,0|2,0,0]=3 488 B12R1.8 CSCCCCc1ccncc1 62a_100020630000_200000210301 [0,0,1,0,0,0|3,0,0]=4 489 B12R1.8 CSCCCCc1ccncc1 62a_200000210301_100020630000 [0,0,1,0,0,0|3,0,0]=4 490 B12R1.8 CSCCCNc1cccnn1 27a_100000749238_100016991348 [0,0,1,0,0,0|3,0,0]=4 491 B12R1.8 CSCCCNc1cnccn1 27a_100000749238_100000211759 [0,0,1,0,0,0|3,0,0]=4 492 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,0,1,0,0,0|3,0,0]=4 493 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,0,1,0,0,0|3,0,0]=4 494 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,0,1,0,0,0|3,0,0]=4 495 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,0,1,0,0,0|3,0,0]=4 496 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,0,1,0,0,0|3,0,0]=4 497 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,0,1,0,0,0|3,0,0]=4 498 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,0,1,0,0,0|3,0,0]=4 499 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,0,1,0,0,0|3,0,0]=4 500 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,0,1,0,0,0|3,0,0]=4 501 B12R1.8 CSCCNCc1cccnc1 207a_100020590264_100000209961 [0,0,1,0,0,0|2,0,0]=3 502 B12R1.8 CSCCNCc1cccnc1 2230a_100020590264_100000741622 [0,0,1,0,0,0|2,0,0]=3 503 B12R1.8 CSCCNCc1cccnc1 270004a_100020590264_100000209961 [0,0,1,0,0,0|2,0,0]=3 504 B12R1.8 CSCCNCc1cccnn1 2230a_100020590264_100016990269 [0,0,1,0,0,0|3,0,0]=4 505 B12R1.8 CSCCNCc1cccnn1 2230a_100159270163_100000751147 [0,0,1,0,0,0|3,0,0]=4 506 B12R1.8 CSCCNCc1ccnnc1 270004a_100020590264_100011934578 [0,0,1,0,0,0|3,0,0]=4 507 B12R1.8 CSCCNCc1cnccn1 2230a_100020590264_100016995436 [0,0,1,0,0,0|3,0,0]=4 508 B12R1.8 CSCCNCc1cnccn1 270004a_100020590264_100000749867 [0,0,1,0,0,0|3,0,0]=4 509 B12R1.8 CSCCNCc1cncnc1 2230a_100011243677_100000751147 [0,0,1,0,0,0|3,0,0]=4 510 B12R1.8 CSCCNCc1cncnc1 2230a_100020590264_100015196519 [0,0,1,0,0,0|3,0,0]=4 511 B12R1.8 CSCCNCc1cncnc1 270004a_100020590264_100000749868 [0,0,1,0,0,0|3,0,0]=4 512 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,0,1,0,0,0|3,0,0]=4 513 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,0,1,0,0,0|3,0,0]=4 514 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,0,1,0,0,0|3,0,0]=4 515 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,0,1,0,0,0|3,0,0]=4 516 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,0,1,0,0,0|3,0,0]=4 517 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,0,1,0,0,0|3,0,0]=4 518 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [0,0,1,0,0,0|2,0,0]=3 519 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [0,0,1,0,0,0|2,0,0]=3 520 B12R1.8 CSCCOCc1cccnn1 34a_100000230434_100016990269 [0,0,1,0,0,0|3,0,0]=4 521 B12R1.8 CSCCOCc1cccnn1 7a_100000230434_100016990269 [0,0,1,0,0,0|3,0,0]=4 522 B12R1.8 CSCCOCc1cnccn1 34a_100000230434_100016995436 [0,0,1,0,0,0|3,0,0]=4 523 B12R1.8 CSCCOCc1cnccn1 7a_100000230434_100016995436 [0,0,1,0,0,0|3,0,0]=4 524 B12R1.8 CSCCOCc1cncnc1 34a_100000230434_100015196519 [0,0,1,0,0,0|3,0,0]=4 525 B12R1.8 CSCCOCc1cncnc1 7a_100000230434_100015196519 [0,0,1,0,0,0|3,0,0]=4 526 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,0,1,0,0,0|3,0,0]=4 527 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,0,1,0,0,0|3,0,0]=4 528 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,0,1,0,0,0|3,0,0]=4 529 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,0,1,0,0,0|3,0,0]=4 530 B12R1.8 CSCCSCc1cccnc1 62a_100000212216_100000741622 [0,0,1,0,0,0|2,0,0]=3 531 B12R1.8 CSCCSCc1cccnc1 62a_100000741622_100000751147 [0,0,1,0,0,0|2,0,0]=3 532 B12R1.8 CSCCSCc1cccnn1 62a_100000212216_100016990269 [0,0,1,0,0,0|3,0,0]=4 533 B12R1.8 CSCCSCc1cccnn1 62a_100016990269_100000751147 [0,0,1,0,0,0|3,0,0]=4 534 B12R1.8 CSCCSCc1cnccn1 62a_100000212216_100016995436 [0,0,1,0,0,0|3,0,0]=4 535 B12R1.8 CSCCSCc1cnccn1 62a_100016995436_100000751147 [0,0,1,0,0,0|3,0,0]=4 536 B12R1.8 CSCCSCc1cncnc1 62a_100000212216_100015196519 [0,0,1,0,0,0|3,0,0]=4 537 B12R1.8 CSCCSCc1cncnc1 62a_100015196519_100000751147 [0,0,1,0,0,0|3,0,0]=4 538 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,0,1,0,0,0|3,0,0]=4 539 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,0,1,0,0,0|3,0,0]=4 540 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,0,1,0,0,0|2,0,0]=3 541 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,0,1,0,0,0|3,0,0]=4 542 B12R1.8 CSCOCCc1cccnc1 34a_100011217484_100011218213 [0,0,1,0,0,0|2,0,0]=3 543 B12R1.8 CSCOCCc1cnccn1 34a_100011349526_100011218213 [0,0,1,0,0,0|3,0,0]=4 544 B12R1.8 CSCOCCc1cncnc1 34a_100011709255_100011218213 [0,0,1,0,0,0|3,0,0]=4 545 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,0,1,0,0,0|3,0,0]=4 546 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,0,1,0,0,0|3,0,0]=4 547 B12R1.8 CSCSCCc1cccnc1 62a_100011218213_200011713674 [0,0,1,0,0,0|2,0,0]=3 548 B12R1.8 CSCSCCc1cccnc1 62a_200011713674_100011218213 [0,0,1,0,0,0|2,0,0]=3 549 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [0,0,1,0,0,0|3,0,0]=4 550 B12R1.8 FCCCCOc1cccnc1 34a_100000210849_100000729493 [0,0,1,0,0,0|3,0,0]=4 551 B12R1.8 FCCCCOc1cccnc1 7a_100000210849_100000729493 [0,0,1,0,0,0|3,0,0]=4 552 B12R1.8 FCCCCSc1cccnc1 62a_100000210063_100000729493 [0,0,1,0,0,0|3,0,0]=4 553 B12R1.8 FCCCCSc1cccnc1 62a_100000729493_100000210063 [0,0,1,0,0,0|3,0,0]=4 554 B12R1.8 FCCCNCc1cccnc1 207a_100015189416_100000209961 [0,0,1,0,0,0|3,0,0]=4 555 B12R1.8 FCCCNCc1cccnc1 2230a_100015189416_100000741622 [0,0,1,0,0,0|3,0,0]=4 556 B12R1.8 FCCCNCc1cccnc1 270004a_100015189416_100000209961 [0,0,1,0,0,0|3,0,0]=4 557 B12R1.8 FCCCNCc1cccnc1 34a_100015189416_100000733263 [0,0,1,0,0,0|3,0,0]=4 558 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [0,0,1,0,0,0|3,0,0]=4 559 B12R1.8 FCCCSCc1cccnc1 62a_100000741622_100011934791 [0,0,1,0,0,0|3,0,0]=4 560 B12R1.8 FCCCSCc1cccnc1 62a_100011934791_100000741622 [0,0,1,0,0,0|3,0,0]=4 561 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,0,1,0,0,0|3,0,0]=4 562 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,0,1,0,0,0|3,0,0]=4 563 B12R1.8 FCCSCCc1cccnc1 62a_100011217306_200011713674 [0,0,1,0,0,0|3,0,0]=4 564 B12R1.8 FCCSCCc1cccnc1 62a_200011713674_100011217306 [0,0,1,0,0,0|3,0,0]=4 565 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,0,1,0,0,0|3,0,0]=4 566 B12R1.8 FCOCCCc1cccnc1 34a_100000211284_100015361967 [0,0,1,0,0,0|3,0,0]=4 567 B12R1.8 N#CCCCOc1cccnc1 7a_100000210849_100000687738 [0,0,1,0,0,0|3,0,0]=4 568 B12R1.8 N#CCCCSc1cccnc1 62a_100000210063_100000687738 [0,0,1,0,0,0|3,0,0]=4 569 B12R1.8 N#CCCCSc1cccnc1 62a_100000687738_100000210063 [0,0,1,0,0,0|3,0,0]=4 570 B12R1.8 N#CCCNCc1cccnc1 270004a_100000720768_100000209961 [0,0,1,0,0,0|3,0,0]=4 571 B12R1.8 N#CCCSCc1cccnc1 62a_100000741622_100011215226 [0,0,1,0,0,0|3,0,0]=4 572 B12R1.8 N#CCCSCc1cccnc1 62a_100011215226_100000741622 [0,0,1,0,0,0|3,0,0]=4 573 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [0,0,1,0,0,0|3,0,0]=4 574 B12R1.8 N#CCSCCc1cccnc1 62a_100011215382_200011713674 [0,0,1,0,0,0|3,0,0]=4 575 B12R1.8 N#CCSCCc1cccnc1 62a_200011713674_100011215382 [0,0,1,0,0,0|3,0,0]=4 576 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,0,1,0,0,0|3,0,0]=4 577 B12R1.8 NOCCOCc1cccnc1 34a_100000700252_100000733263 [0,0,1,0,0,0|3,0,0]=4 578 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,0,1,0,0,0|3,0,0]=4 579 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [0,0,1,0,0,0|3,0,0]=4 580 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [0,0,1,0,0,0|3,0,0]=4 581 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [0,0,1,0,0,0|3,0,0]=4 582 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [0,0,1,0,0,0|3,0,0]=4 583 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [0,0,1,0,0,0|3,0,0]=4 584 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [0,0,1,0,0,0|3,0,0]=4 585 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [0,0,1,0,0,0|3,0,0]=4 586 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [0,0,1,0,0,0|3,0,0]=4 587 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [0,0,1,0,0,0|3,0,0]=4 588 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [0,0,1,0,0,0|3,0,0]=4 589 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [0,0,1,0,0,0|3,0,0]=4 590 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [0,0,1,0,0,0|3,0,0]=4 591 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [0,0,1,0,0,0|3,0,0]=4 592 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [0,0,1,0,0,0|3,0,0]=4 593 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,0,1,0,0,0|3,0,0]=4 594 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,0,1,0,0,0|3,0,0]=4 595 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,0,1,0,0,0|3,0,0]=4 596 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [0,0,1,0,0,0|3,0,0]=4 597 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [0,0,1,0,0,0|3,0,0]=4 598 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,0,1,0,0,0|1,0,0]=2 599 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,0,1,0,0,0|1,0,0]=2 600 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,0,1,0,0,0|2,0,0]=3 601 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,0,1,0,0,0|2,0,0]=3 602 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,0,1,0,0,0|2,0,0]=3 603 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,0,1,0,0,0|2,0,0]=3 604 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,0,1,0,0,0|2,0,0]=3 605 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,0,1,0,0,0|2,0,0]=3 606 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,0,1,0,0,0|2,0,0]=3 607 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,0,1,0,0,0|2,0,0]=3 608 B12R1.8 [13CH3]OCCC#Cc1cccnc1 34a_200011376248_200025704644 [0,0,1,0,0,0|1,0,2]=4 609 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,0,1,0,0,0|2,0,0]=3 610 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,0,1,0,0,0|2,0,0]=3 611 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,0,1,0,0,0|3,0,0]=4 612 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,0,1,0,0,0|1,0,0]=2 613 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,0,1,0,0,0|1,0,0]=2 614 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [0,0,1,0,0,0|3,0,0]=4 615 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,0,1,0,0,0|3,0,0]=4 616 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,0,1,0,0,0|3,0,0]=4 617 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,0,1,0,0,0|3,0,0]=4 618 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,0,1,0,0,0|3,0,0]=4 619 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,0,1,0,0,0|3,0,0]=4 620 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,0,1,0,0,0|3,0,0]=4 621 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,0,1,0,0,0|3,0,0]=4 622 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,0,1,0,0,0|3,0,0]=4 623 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,0,1,0,0,0|2,0,0]=3 624 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,0,1,0,0,0|2,0,0]=3 625 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_100020630000_200025704644 [0,0,1,0,0,0|3,0,0]=4 626 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_200025704644_100020630000 [0,0,1,0,0,0|3,0,0]=4 627 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,0,1,0,0,0|3,0,0]=4 628 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,0,1,0,0,0|3,0,0]=4 629 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,0,1,0,0,0|3,0,0]=4 630 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,0,1,0,0,0|3,0,0]=4 631 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,0,1,0,0,0|3,0,0]=4 632 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,0,1,0,0,0|3,0,0]=4 633 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,0,1,0,0,0|3,0,0]=4 634 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,0,1,0,0,0|3,0,0]=4 635 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,0,1,0,0,0|1,0,2]=4 636 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,0,1,0,0,0|1,0,2]=4 637 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,0,1,0,0,0|1,0,2]=4 638 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,0,1,0,0,0|1,0,2]=4 639 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,0,1,0,0,0|1,0,2]=4 640 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,0,1,0,0,0|1,0,2]=4 641 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,0,1,0,0,0|1,0,2]=4 642 B12R1.32 C#CCN(C)Cc1cccnc1 2230a_100000184577_100000038162 [0,0,1,0,0,0|0,0,2]=3 643 B12R1.32 C#CCN(C)Cc1cccnc1 2230a_100000225692_100000741622 [0,0,1,0,0,0|0,0,2]=3 644 B12R1.32 C#CCN(C)Cc1cccnc1 270004a_100000225692_100000209961 [0,0,1,0,0,0|0,0,2]=3 645 B12R1.32 C#CCN(C)Cc1cccnc1 34a_100000225692_100000733263 [0,0,1,0,0,0|0,0,2]=3 646 B12R1.32 C#CCN(C)Cc1cccnn1 2230a_100000225692_100016990269 [0,0,1,0,0,0|1,0,2]=4 647 B12R1.32 C#CCN(C)Cc1cccnn1 34a_100000225692_100016990269 [0,0,1,0,0,0|1,0,2]=4 648 B12R1.32 C#CCN(C)Cc1ccnnc1 270004a_100000225692_100011934578 [0,0,1,0,0,0|1,0,2]=4 649 B12R1.32 C#CCN(C)Cc1cnccn1 2230a_100000225692_100016995436 [0,0,1,0,0,0|1,0,2]=4 650 B12R1.32 C#CCN(C)Cc1cnccn1 2230a_100011269079_100000038162 [0,0,1,0,0,0|1,0,2]=4 651 B12R1.32 C#CCN(C)Cc1cnccn1 270004a_100000225692_100000749867 [0,0,1,0,0,0|1,0,2]=4 652 B12R1.32 C#CCN(C)Cc1cnccn1 34a_100000225692_100016995436 [0,0,1,0,0,0|1,0,2]=4 653 B12R1.32 C#CCN(C)Cc1cncnc1 2230a_100000225692_100015196519 [0,0,1,0,0,0|1,0,2]=4 654 B12R1.32 C#CCN(C)Cc1cncnc1 270004a_100000225692_100000749868 [0,0,1,0,0,0|1,0,2]=4 655 B12R1.32 C#CCN(C)Cc1cncnc1 34a_100000225692_100015196519 [0,0,1,0,0,0|1,0,2]=4 656 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,0,1,0,0,0|1,0,2]=4 657 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,0,1,0,0,0|1,0,2]=4 658 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,0,1,0,0,0|1,0,2]=4 659 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,0,1,0,0,0|1,0,2]=4 660 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,0,1,0,0,0|1,0,2]=4 661 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,0,1,0,0,0|1,0,2]=4 662 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,0,1,0,0,0|1,0,2]=4 663 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,0,1,0,0,0|1,0,2]=4 664 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,0,1,0,0,0|1,0,2]=4 665 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,0,1,0,0,0|1,0,2]=4 666 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000184577_100000210623 [0,0,1,0,0,0|0,0,2]=3 667 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000201331_200000210301 [0,0,1,0,0,0|0,0,2]=3 668 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000225617_100000741622 [0,0,1,0,0,0|0,0,2]=3 669 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000184577_100000210623 [0,0,1,0,0,0|0,0,2]=3 670 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000201331_200000210301 [0,0,1,0,0,0|0,0,2]=3 671 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000225617_100000733263 [0,0,1,0,0,0|0,0,2]=3 672 B12R1.32 C=CCN(C)Cc1cccnc1 270004a_100000225617_100000209961 [0,0,1,0,0,0|0,0,2]=3 673 B12R1.32 C=CCN(C)Cc1cccnn1 2230a_100000225617_100016990269 [0,0,1,0,0,0|1,0,2]=4 674 B12R1.32 C=CCN(C)Cc1ccnnc1 270004a_100000225617_100011934578 [0,0,1,0,0,0|1,0,2]=4 675 B12R1.32 C=CCN(C)Cc1cnccn1 2230a_100000225617_100016995436 [0,0,1,0,0,0|1,0,2]=4 676 B12R1.32 C=CCN(C)Cc1cnccn1 2230a_100011269079_100000210623 [0,0,1,0,0,0|1,0,2]=4 677 B12R1.32 C=CCN(C)Cc1cnccn1 269982a_100000225617_100016995436 [0,0,1,0,0,0|1,0,2]=4 678 B12R1.32 C=CCN(C)Cc1cnccn1 269982a_100011269079_100000210623 [0,0,1,0,0,0|1,0,2]=4 679 B12R1.32 C=CCN(C)Cc1cnccn1 270004a_100000225617_100000749867 [0,0,1,0,0,0|1,0,2]=4 680 B12R1.32 C=CCN(C)Cc1cncnc1 2230a_100000225617_100015196519 [0,0,1,0,0,0|1,0,2]=4 681 B12R1.32 C=CCN(C)Cc1cncnc1 269982a_100000225617_100016991940 [0,0,1,0,0,0|1,0,2]=4 682 B12R1.32 C=CCN(C)Cc1cncnc1 270004a_100000225617_100000749868 [0,0,1,0,0,0|1,0,2]=4 683 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,0,1,0,0,0|1,0,2]=4 684 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,0,1,0,0,0|1,0,2]=4 685 B12R1.32 C=CCN([13CH3])Cc1cccnc1 2230a_100000201331_200025704644 [0,0,1,0,0,0|0,0,2]=3 686 B12R1.32 C=CCN([13CH3])Cc1cccnc1 269982a_100000201331_200025704644 [0,0,1,0,0,0|0,0,2]=3 687 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [0,0,1,0,0,0|3,0,0]=4 688 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [0,0,1,0,0,0|3,0,0]=4 689 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [0,0,1,0,0,0|3,0,0]=4 690 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [0,0,1,0,0,0|3,0,0]=4 691 B12R1.32 CC(CN[13CH3])Oc1cccnc1 2230a_200011219418_200025704644 [0,0,1,0,0,0|3,0,0]=4 692 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,0,1,0,0,0|3,0,0]=4 693 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,0,1,0,0,0|3,0,0]=4 694 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,0,1,0,0,0|3,0,0]=4 695 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,0,1,0,0,0|2,0,0]=3 696 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,0,1,0,0,0|2,0,0]=3 697 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,0,1,0,0,0|3,0,0]=4 698 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,0,1,0,0,0|3,0,0]=4 699 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000211992_100015196519 [0,0,1,0,0,0|3,0,0]=4 700 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000721575_100000210303 [0,0,1,0,0,0|3,0,0]=4 701 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,0,1,0,0,0|3,0,0]=4 702 B12R1.32 CCCC(C)Nc1cccnn1 27a_100000741246_100016991348 [0,0,1,0,0,0|3,0,0]=4 703 B12R1.32 CCCC(C)Nc1cnccn1 27a_100000741246_100000211759 [0,0,1,0,0,0|3,0,0]=4 704 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,0,1,0,0,0|3,0,0]=4 705 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,0,1,0,0,0|3,0,0]=4 706 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,0,1,0,0,0|2,0,0]=3 707 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,0,1,0,0,0|2,0,0]=3 708 B12R1.32 CCCC(C)Oc1ccnnc1 34a_100015204005_100000766640 [0,0,1,0,0,0|3,0,0]=4 709 B12R1.32 CCCC(C)Oc1cncnc1 7a_100000754086_100000766640 [0,0,1,0,0,0|3,0,0]=4 710 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,0,1,0,0,0|3,0,0]=4 711 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,0,1,0,0,0|3,0,0]=4 712 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [0,0,1,0,0,0|2,0,0]=3 713 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [0,0,1,0,0,0|2,0,0]=3 714 B12R1.32 CCCC(C)Sc1cccnn1 62a_100000766640_100016991348 [0,0,1,0,0,0|3,0,0]=4 715 B12R1.32 CCCC(C)Sc1cccnn1 62a_100016991348_100000766640 [0,0,1,0,0,0|3,0,0]=4 716 B12R1.32 CCCC(C)Sc1ccnnc1 62a_100000732662_100000766640 [0,0,1,0,0,0|3,0,0]=4 717 B12R1.32 CCCC(C)Sc1ccnnc1 62a_100000766640_100000732662 [0,0,1,0,0,0|3,0,0]=4 718 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000211759_100000766640 [0,0,1,0,0,0|3,0,0]=4 719 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000766640_100000211759 [0,0,1,0,0,0|3,0,0]=4 720 B12R1.32 CCCC(C)Sc1cncnc1 62a_100000766640_100011206942 [0,0,1,0,0,0|3,0,0]=4 721 B12R1.32 CCCC(C)Sc1cncnc1 62a_100011206942_100000766640 [0,0,1,0,0,0|3,0,0]=4 722 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,0,1,0,0,0|1,0,0]=2 723 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,0,1,0,0,0|1,0,0]=2 724 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,0,1,0,0,0|1,0,0]=2 725 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,0,1,0,0,0|1,0,0]=2 726 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,0,1,0,0,0|1,0,0]=2 727 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,0,1,0,0,0|1,0,0]=2 728 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,0,1,0,0,0|1,0,0]=2 729 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,0,1,0,0,0|2,0,0]=3 730 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,0,1,0,0,0|2,0,0]=3 731 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,0,1,0,0,0|2,0,0]=3 732 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,0,1,0,0,0|2,0,0]=3 733 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,0,1,0,0,0|2,0,0]=3 734 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,0,1,0,0,0|2,0,0]=3 735 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,0,1,0,0,0|2,0,0]=3 736 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [0,0,1,0,0,0|0,0,0]=1 737 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [0,0,1,0,0,0|0,0,0]=1 738 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [0,0,1,0,0,0|0,0,0]=1 739 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [0,0,1,0,0,0|0,0,0]=1 740 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [0,0,1,0,0,0|0,0,0]=1 741 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [0,0,1,0,0,0|0,0,0]=1 742 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [0,0,1,0,0,0|0,0,0]=1 743 B12R1.32 CCCN(C)Cc1cccnn1 2230a_100000747261_100016990269 [0,0,1,0,0,0|1,0,0]=2 744 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [0,0,1,0,0,0|2,0,0]=3 745 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [0,0,1,0,0,0|2,0,0]=3 746 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [0,0,1,0,0,0|2,0,0]=3 747 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [0,0,1,0,0,0|2,0,0]=3 748 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [0,0,1,0,0,0|2,0,0]=3 749 B12R1.32 CCCN(C)Cc1ccnnc1 270004a_100000747261_100011934578 [0,0,1,0,0,0|1,0,0]=2 750 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100000747261_100016995436 [0,0,1,0,0,0|1,0,0]=2 751 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100011269079_100000210303 [0,0,1,0,0,0|1,0,0]=2 752 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100000747261_100016995436 [0,0,1,0,0,0|1,0,0]=2 753 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100011269079_100000210303 [0,0,1,0,0,0|1,0,0]=2 754 B12R1.32 CCCN(C)Cc1cnccn1 270004a_100000747261_100000749867 [0,0,1,0,0,0|1,0,0]=2 755 B12R1.32 CCCN(C)Cc1cncnc1 2230a_100000747261_100015196519 [0,0,1,0,0,0|1,0,0]=2 756 B12R1.32 CCCN(C)Cc1cncnc1 269982a_100000747261_100016991940 [0,0,1,0,0,0|1,0,0]=2 757 B12R1.32 CCCN(C)Cc1cncnc1 270004a_100000747261_100000749868 [0,0,1,0,0,0|1,0,0]=2 758 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100000747261_100000703007 [0,0,1,0,0,0|3,0,0]=4 759 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100025716638_100000210303 [0,0,1,0,0,0|3,0,0]=4 760 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100000747261_100000703007 [0,0,1,0,0,0|3,0,0]=4 761 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100025716638_100000210303 [0,0,1,0,0,0|3,0,0]=4 762 B12R1.32 CCCN(C)Cc1ncccn1 270004a_100000747261_100011532527 [0,0,1,0,0,0|3,0,0]=4 763 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,0,1,0,0,0|1,0,0]=2 764 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,0,1,0,0,0|1,0,0]=2 765 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,0,1,0,0,0|2,0,0]=3 766 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,0,1,0,0,0|2,0,0]=3 767 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [0,0,1,0,0,0|0,0,0]=1 768 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [0,0,1,0,0,0|0,0,0]=1 769 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [0,0,1,0,0,0|2,0,0]=3 770 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,0,1,0,0,0|3,0,0]=4 771 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,0,1,0,0,0|3,0,0]=4 772 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,0,1,0,0,0|3,0,0]=4 773 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,0,1,0,0,0|2,0,0]=3 774 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,0,1,0,0,0|2,0,0]=3 775 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [0,0,1,0,0,0|3,0,0]=4 776 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [0,0,1,0,0,0|3,0,0]=4 777 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,0,1,0,0,0|3,0,0]=4 778 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,0,1,0,0,0|3,0,0]=4 779 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,0,1,0,0,0|3,0,0]=4 780 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,0,1,0,0,0|3,0,0]=4 781 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,0,1,0,0,0|3,0,0]=4 782 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,0,1,0,0,0|2,0,1]=4 783 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,0,1,0,0,0|2,0,1]=4 784 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,0,1,0,0,0|2,0,1]=4 785 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,0,1,0,0,0|2,0,1]=4 786 B12R1.32 CN(CC#N)Cc1cccnc1 2230a_100000184577_100011215382 [0,0,1,0,0,0|1,0,1]=3 787 B12R1.32 CN(CC#N)Cc1cccnc1 2230a_100000748184_100000741622 [0,0,1,0,0,0|1,0,1]=3 788 B12R1.32 CN(CC#N)Cc1cccnc1 269982a_100000184577_100011214920 [0,0,1,0,0,0|1,0,1]=3 789 B12R1.32 CN(CC#N)Cc1cccnn1 2230a_100000748184_100016990269 [0,0,1,0,0,0|2,0,1]=4 790 B12R1.32 CN(CC#N)Cc1cnccn1 2230a_100000748184_100016995436 [0,0,1,0,0,0|2,0,1]=4 791 B12R1.32 CN(CC#N)Cc1cnccn1 2230a_100011269079_100011215382 [0,0,1,0,0,0|2,0,1]=4 792 B12R1.32 CN(CC#N)Cc1cnccn1 269982a_100011269079_100011214920 [0,0,1,0,0,0|2,0,1]=4 793 B12R1.32 CN(CC#N)Cc1cncnc1 2230a_100000748184_100015196519 [0,0,1,0,0,0|2,0,1]=4 794 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,0,1,0,0,0|2,0,1]=4 795 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,0,1,0,0,0|2,0,1]=4 796 B12R1.32 CN(CC=O)Cc1cccnc1 2230a_100000184577_200015260668 [0,0,1,0,0,0|1,0,1]=3 797 B12R1.32 CN(CC=O)Cc1cccnc1 269982a_100000184577_200015260668 [0,0,1,0,0,0|1,0,1]=3 798 B12R1.32 CN(CC=O)Cc1cnccn1 2230a_100011269079_200015260668 [0,0,1,0,0,0|2,0,1]=4 799 B12R1.32 CN(CC=O)Cc1cnccn1 269982a_100011269079_200015260668 [0,0,1,0,0,0|2,0,1]=4 800 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,0,1,0,0,0|2,0,0]=3 801 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,0,1,0,0,0|2,0,0]=3 802 B12R1.32 CN(CCF)Cc1ccccn1 2230a_100000207498_100011217306 [0,0,1,0,0,0|3,0,0]=4 803 B12R1.32 CN(CCF)Cc1ccccn1 269982a_100000207498_100011217306 [0,0,1,0,0,0|3,0,0]=4 804 B12R1.32 CN(CCF)Cc1cccnc1 2230a_100000184577_100011217306 [0,0,1,0,0,0|1,0,0]=2 805 B12R1.32 CN(CCF)Cc1cccnc1 269982a_100000184577_100011217306 [0,0,1,0,0,0|1,0,0]=2 806 B12R1.32 CN(CCF)Cc1ccncc1 2230a_100000187231_100011217306 [0,0,1,0,0,0|3,0,0]=4 807 B12R1.32 CN(CCF)Cc1ccncc1 269982a_100000187231_100011217306 [0,0,1,0,0,0|3,0,0]=4 808 B12R1.32 CN(CCF)Cc1cnccn1 2230a_100011269079_100011217306 [0,0,1,0,0,0|2,0,0]=3 809 B12R1.32 CN(CCF)Cc1cnccn1 269982a_100011269079_100011217306 [0,0,1,0,0,0|2,0,0]=3 810 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,0,1,0,0,0|2,0,0]=3 811 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,0,1,0,0,0|2,0,0]=3 812 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,0,1,0,0,0|2,0,0]=3 813 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,0,1,0,0,0|2,0,0]=3 814 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,0,1,0,0,0|2,0,0]=3 815 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,0,1,0,0,0|2,0,0]=3 816 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,0,1,0,0,0|2,0,0]=3 817 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,0,1,0,0,0|3,0,0]=4 818 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,0,1,0,0,0|3,0,0]=4 819 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,0,1,0,0,0|3,0,0]=4 820 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,0,1,0,0,0|3,0,0]=4 821 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,0,1,0,0,0|3,0,0]=4 822 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000184577_100000211926 [0,0,1,0,0,0|1,0,0]=2 823 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000210263_100000741622 [0,0,1,0,0,0|1,0,0]=2 824 B12R1.32 CN(CCO)Cc1cccnc1 2230a_200000200437_200000210301 [0,0,1,0,0,0|1,0,0]=2 825 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000184577_100000211926 [0,0,1,0,0,0|1,0,0]=2 826 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000210263_100000733263 [0,0,1,0,0,0|1,0,0]=2 827 B12R1.32 CN(CCO)Cc1cccnc1 269982a_200000200437_200000210301 [0,0,1,0,0,0|1,0,0]=2 828 B12R1.32 CN(CCO)Cc1cccnc1 270004a_100000210263_100000209961 [0,0,1,0,0,0|1,0,0]=2 829 B12R1.32 CN(CCO)Cc1cccnn1 2230a_100000210263_100016990269 [0,0,1,0,0,0|2,0,0]=3 830 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000187231_100000211926 [0,0,1,0,0,0|3,0,0]=4 831 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000210263_100015193705 [0,0,1,0,0,0|3,0,0]=4 832 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000187231_100000211926 [0,0,1,0,0,0|3,0,0]=4 833 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000210263_100015193705 [0,0,1,0,0,0|3,0,0]=4 834 B12R1.32 CN(CCO)Cc1ccnnc1 270004a_100000210263_100011934578 [0,0,1,0,0,0|2,0,0]=3 835 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100000210263_100016995436 [0,0,1,0,0,0|2,0,0]=3 836 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100011269079_100000211926 [0,0,1,0,0,0|2,0,0]=3 837 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100000210263_100016995436 [0,0,1,0,0,0|2,0,0]=3 838 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100011269079_100000211926 [0,0,1,0,0,0|2,0,0]=3 839 B12R1.32 CN(CCO)Cc1cnccn1 270004a_100000210263_100000749867 [0,0,1,0,0,0|2,0,0]=3 840 B12R1.32 CN(CCO)Cc1cncnc1 2230a_100000210263_100015196519 [0,0,1,0,0,0|2,0,0]=3 841 B12R1.32 CN(CCO)Cc1cncnc1 269982a_100000210263_100016991940 [0,0,1,0,0,0|2,0,0]=3 842 B12R1.32 CN(CCO)Cc1cncnc1 270004a_100000210263_100000749868 [0,0,1,0,0,0|2,0,0]=3 843 B12R1.32 CNCC(C)Oc1cccnc1 2230a_200011219418_200000210301 [0,0,1,0,0,0|3,0,0]=4 844 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,0,1,0,0,0|3,0,0]=4 845 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,0,1,0,0,0|3,0,0]=4 846 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,0,1,0,0,0|3,0,0]=4 847 B12R1.32 COCC(C)Oc1cccnc1 34a_100000210849_100000765312 [0,0,1,0,0,0|3,0,0]=4 848 B12R1.32 COCC(C)Oc1cccnc1 7a_100000210849_100000765312 [0,0,1,0,0,0|3,0,0]=4 849 B12R1.32 COCC(C)Sc1cccnc1 62a_100000210063_100000765312 [0,0,1,0,0,0|3,0,0]=4 850 B12R1.32 COCC(C)Sc1cccnc1 62a_100000765312_100000210063 [0,0,1,0,0,0|3,0,0]=4 851 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,0,1,0,0,0|2,0,0]=3 852 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,0,1,0,0,0|2,0,0]=3 853 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,0,1,0,0,0|3,0,0]=4 854 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,0,1,0,0,0|3,0,0]=4 855 B12R1.32 COCN(C)Cc1cccnc1 2230a_100000184577_100000766300 [0,0,1,0,0,0|1,0,0]=2 856 B12R1.32 COCN(C)Cc1cccnc1 269982a_100000184577_100000766300 [0,0,1,0,0,0|1,0,0]=2 857 B12R1.32 COCN(C)Cc1ccncc1 2230a_100000187231_100000766300 [0,0,1,0,0,0|3,0,0]=4 858 B12R1.32 COCN(C)Cc1ccncc1 269982a_100000187231_100000766300 [0,0,1,0,0,0|3,0,0]=4 859 B12R1.32 COCN(C)Cc1cnccn1 2230a_100011269079_100000766300 [0,0,1,0,0,0|2,0,0]=3 860 B12R1.32 COCN(C)Cc1cnccn1 269982a_100011269079_100000766300 [0,0,1,0,0,0|2,0,0]=3 861 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,0,1,0,0,0|3,0,0]=4 862 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,0,1,0,0,0|2,0,0]=3 863 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,0,1,0,0,0|2,0,0]=3 864 B12R1.32 CSCN(C)Cc1ccccn1 2230a_100000207498_100011218213 [0,0,1,0,0,0|3,0,0]=4 865 B12R1.32 CSCN(C)Cc1ccccn1 269982a_100000207498_100011218213 [0,0,1,0,0,0|3,0,0]=4 866 B12R1.32 CSCN(C)Cc1cccnc1 2230a_100000184577_100011218213 [0,0,1,0,0,0|1,0,0]=2 867 B12R1.32 CSCN(C)Cc1cccnc1 269982a_100000184577_100011218213 [0,0,1,0,0,0|1,0,0]=2 868 B12R1.32 CSCN(C)Cc1ccncc1 2230a_100000187231_100011218213 [0,0,1,0,0,0|3,0,0]=4 869 B12R1.32 CSCN(C)Cc1ccncc1 269982a_100000187231_100011218213 [0,0,1,0,0,0|3,0,0]=4 870 B12R1.32 CSCN(C)Cc1cnccn1 2230a_100011269079_100011218213 [0,0,1,0,0,0|2,0,0]=3 871 B12R1.32 CSCN(C)Cc1cnccn1 269982a_100011269079_100011218213 [0,0,1,0,0,0|2,0,0]=3 872 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,0,1,0,0,0|3,0,0]=4 873 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,0,1,0,0,0|3,0,0]=4 874 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,0,1,0,0,0|3,0,0]=4 875 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,0,1,0,0,0|2,0,1]=4 876 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,0,1,0,0,0|2,0,0]=3 877 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,0,1,0,0,0|2,0,0]=3 878 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 2230a_200000200437_200025704644 [0,0,1,0,0,0|1,0,0]=2 879 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 269982a_200000200437_200025704644 [0,0,1,0,0,0|1,0,0]=2 880 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,0,1,0,0,0|2,0,0]=3 881 B12R1.34 CC(c1ccccn1)N(C)CF 269982a_100000231138_100015361967 [0,0,1,0,0,0|3,0,0]=4 882 B12R1.34 CC(c1cccnc1)N(C)CF 269982a_100000232774_100015361967 [0,0,1,0,0,0|1,0,0]=2 883 B12R1.34 CC(c1ccncc1)N(C)CF 269982a_100000231139_100015361967 [0,0,1,0,0,0|3,0,0]=4 884 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,0,1,0,0,0|3,0,0]=4 885 B12R1.34 CCC(=O)C(C)c1cnccn1 1458a_100000210414_200000703233 [0,0,1,0,0,0|3,0,0]=4 886 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,0,1,0,0,0|3,0,0]=4 887 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,0,1,0,0,0|3,0,0]=4 888 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,0,1,0,0,0|3,0,0]=4 889 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,0,1,0,0,0|3,0,0]=4 890 B12R1.34 CCC(C)N(C)c1cccnn1 27a_100000741768_100016991348 [0,0,1,0,0,0|3,0,0]=4 891 B12R1.34 CCC(C)N(C)c1cnccn1 27a_100000741768_100000211759 [0,0,1,0,0,0|3,0,0]=4 892 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [0,0,1,0,0,0|2,0,1]=4 893 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [0,0,1,0,0,0|2,0,1]=4 894 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [0,0,1,0,0,0|2,0,1]=4 895 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [0,0,1,0,0,0|2,0,1]=4 896 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,0,1,0,0,0|1,0,0]=2 897 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,0,1,0,0,0|1,0,0]=2 898 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,0,1,0,0,0|1,0,0]=2 899 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,0,1,0,0,0|1,0,0]=2 900 B12R1.34 CCN(C)C(C)c1ccccn1 2230a_100000231138_100000210202 [0,0,1,0,0,0|2,0,0]=3 901 B12R1.34 CCN(C)C(C)c1ccccn1 269982a_100000231138_100000204670 [0,0,1,0,0,0|2,0,0]=3 902 B12R1.34 CCN(C)C(C)c1cccnc1 2230a_100000232774_100000210202 [0,0,1,0,0,0|0,0,0]=1 903 B12R1.34 CCN(C)C(C)c1cccnc1 269982a_100000232774_100000204670 [0,0,1,0,0,0|0,0,0]=1 904 B12R1.34 CCN(C)C(C)c1ccncc1 2230a_100000231139_100000210202 [0,0,1,0,0,0|2,0,0]=3 905 B12R1.34 CCN(C)C(C)c1ccncc1 269982a_100000231139_100000204670 [0,0,1,0,0,0|2,0,0]=3 906 B12R1.34 CCN(C)C(C)c1cnccn1 2230a_100000225621_200000703233 [0,0,1,0,0,0|1,0,0]=2 907 B12R1.34 CCN(C)C(C)c1cnccn1 269982a_100000225621_200000703233 [0,0,1,0,0,0|1,0,0]=2 908 B12R1.460 C/C=C/CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100102629194 [0,0,1,0,0,0|2,0,1]=4 909 B12R1.460 C=CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000754431 [0,0,1,0,0,0|2,0,1]=4 910 B12R1.460 C=CCNC(=O)[C@@H]1CCCN1C 240690a_100020586998_100009816429 [0,0,1,0,0,0|3,0,0]=4 911 B12R1.460 C=CCNC(=O)[C@@H]1CCCN1C 527a_100020586998_100009816429 [0,0,1,0,0,0|3,0,0]=4 912 B12R1.460 CC=CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000070051 [0,0,1,0,0,0|2,0,1]=4 913 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [0,0,1,0,0,0|1,0,2]=4 914 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [0,0,1,0,0,0|1,0,2]=4 915 B12R1.478 CC(C)C(N[13CH3])c1cccnc1 2230a_100015185317_200025704644 [0,0,1,0,0,0|2,0,0]=3 916 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,0,1,0,0,0|3,0,0]=4 917 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,0,1,0,0,0|3,0,0]=4 918 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,0,1,0,0,0|3,0,0]=4 919 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,0,1,0,0,0|3,0,0]=4 920 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,0,1,0,0,0|3,0,0]=4 921 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,0,1,0,0,0|3,0,0]=4 922 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,0,1,0,0,0|1,0,0]=2 923 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,0,1,0,0,0|1,0,0]=2 924 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,0,1,0,0,0|1,0,0]=2 925 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,0,1,0,0,0|1,0,0]=2 926 B12R1.478 CCC(c1ccccn1)N(C)C 2230a_100011351527_200000210301 [0,0,1,0,0,0|2,0,0]=3 927 B12R1.478 CCC(c1ccccn1)N(C)C 269982a_100011351527_200000210301 [0,0,1,0,0,0|2,0,0]=3 928 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 2230a_100011351527_200025704644 [0,0,1,0,0,0|2,0,0]=3 929 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 269982a_100011351527_200025704644 [0,0,1,0,0,0|2,0,0]=3 930 B12R1.478 CCC(c1cccnc1)N(C)C 2230a_200011351541_200000210301 [0,0,1,0,0,0|0,0,0]=1 931 B12R1.478 CCC(c1cccnc1)N(C)C 269982a_200011351541_200000210301 [0,0,1,0,0,0|0,0,0]=1 932 B12R1.478 CCC(c1cccnc1)N(C)[13CH3] 2230a_200011351541_200025704644 [0,0,1,0,0,0|0,0,0]=1 933 B12R1.478 CCC(c1cccnc1)N(C)[13CH3] 269982a_200011351541_200025704644 [0,0,1,0,0,0|0,0,0]=1 934 B12R1.478 CCC(c1ncccn1)N(C)C 270004a_100102631434_200011350823 [0,0,1,0,0,0|3,0,0]=4 935 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210013_100000210206 [0,0,1,0,0,0|3,0,0]=4 936 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210572_100000210202 [0,0,1,0,0,0|3,0,0]=4 937 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210013_100000210206 [0,0,1,0,0,0|3,0,0]=4 938 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210572_100000204670 [0,0,1,0,0,0|3,0,0]=4 939 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210013_100000210206 [0,0,1,0,0,0|3,0,0]=4 940 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210572_100000210202 [0,0,1,0,0,0|3,0,0]=4 941 B12R1.478 CCN(c1ccccc1)C(C)C 7a_100000210572_100000210202 [0,0,1,0,0,0|3,0,0]=4 942 B12R1.478 CCN(c1cccnn1)C(C)C 27a_100000223864_100016991348 [0,0,1,0,0,0|3,0,0]=4 943 B12R1.478 CCN(c1cnccn1)C(C)C 27a_100000223864_100000211759 [0,0,1,0,0,0|3,0,0]=4 944 B12R1.478 CNC(c1cccnc1)C(C)C 2230a_100015185317_200000210301 [0,0,1,0,0,0|2,0,0]=3 945 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,0,1,0,0,0|3,0,0]=4 946 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,0,1,0,0,0|3,0,0]=4 947 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,0,1,0,0,0|3,0,0]=4 948 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,0,1,0,0,0|3,0,0]=4 949 B12R2.10 CN1CCCC1c2ccco2 2230a_100011206061_200000210301 [0,0,0,0,1,0|1,0,0]=2 950 B12R2.10 CN1CCCC1c2ccco2 269982a_100011206061_200000210301 [0,0,0,0,1,0|1,0,0]=2 951 B12R2.10 CN1CCCC1c2cccs2 2230a_100000185107_200000210301 [0,0,0,0,1,0|1,0,0]=2 952 B12R2.10 CN1CCCC1c2cccs2 269982a_100000185107_200000210301 [0,0,0,0,1,0|1,0,0]=2 953 B12R2.10 CN1CCCC1c2cccs2 34a_100000185107_200000210301 [0,0,0,0,1,0|1,0,0]=2 954 B12R2.10 CN1CCCC1c2ncc[nH]2 2230a_100000696250_200000210301 [0,0,0,0,1,0|1,0,0]=2 955 B12R2.10 CN1CCCC1c2ncc[nH]2 269982a_100000696250_200000210301 [0,0,0,0,1,0|1,0,0]=2 956 B12R2.10 CN1CCCC1c2nccs2 2230a_100102564405_200000210301 [0,0,0,0,1,0|1,0,0]=2 957 B12R2.10 CN1CCCC1c2nccs2 269982a_100102564405_200000210301 [0,0,0,0,1,0|1,0,0]=2 958 B12R2.10 CN1CCC[C@@H]1c2nnn[nH]2 269982a_100009821822_200000210301 [0,0,0,0,1,0|3,0,0]=4 959 B12R2.10 [13CH3]N1CCCC1c2ccco2 2230a_100011206061_200025704644 [0,0,0,0,1,0|1,0,0]=2 960 B12R2.10 [13CH3]N1CCCC1c2ccco2 269982a_100011206061_200025704644 [0,0,0,0,1,0|1,0,0]=2 961 B12R2.10 [13CH3]N1CCCC1c2cccs2 2230a_100000185107_200025704644 [0,0,0,0,1,0|1,0,0]=2 962 B12R2.10 [13CH3]N1CCCC1c2cccs2 269982a_100000185107_200025704644 [0,0,0,0,1,0|1,0,0]=2 963 B12R2.10 [13CH3]N1CCCC1c2cccs2 34a_100000185107_200025704644 [0,0,0,0,1,0|1,0,0]=2 964 B12R2.10 [13CH3]N1CCCC1c2ncc[nH]2 2230a_100000696250_200025704644 [0,0,0,0,1,0|1,0,0]=2 965 B12R2.10 [13CH3]N1CCCC1c2ncc[nH]2 269982a_100000696250_200025704644 [0,0,0,0,1,0|1,0,0]=2 966 B12R2.10 [13CH3]N1CCCC1c2nccs2 2230a_100102564405_200025704644 [0,0,0,0,1,0|1,0,0]=2 967 B12R2.10 [13CH3]N1CCCC1c2nccs2 269982a_100102564405_200025704644 [0,0,0,0,1,0|1,0,0]=2 968 B12R2.10 [13CH3]N1CCC[C@@H]1c2nnn[nH]2 269982a_100009821822_200025704644 [0,0,0,0,1,0|3,0,0]=4 969 B12R2.23 CC1CCN1c2cccnn2 27a_100000755817_100016991348 [0,0,0,0,1,0|3,0,0]=4 970 B12R2.23 CC1CCN1c2cnccn2 27a_100000755817_100000211759 [0,0,0,0,1,0|3,0,0]=4 971 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,0,1,0|1,0,0]=2 972 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,0,1,0|1,0,0]=2 973 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,0,1,0|1,0,0]=2 974 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,0,1,0|1,0,0]=2 975 B14R2.21 CN1CCCC(C1)c2ccccc2 2230a_100011236195_200000210301 [0,0,0,0,0,1|1,0,0]=2 976 B14R2.21 CN1CCCC(C1)c2ccccc2 269982a_100011236195_200000210301 [0,0,0,0,0,1|1,0,0]=2 977 B14R2.21 CN1CCCC(C1)c2ccccc2 34a_100011236195_200000210301 [0,0,0,0,0,1|1,0,0]=2 978 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [0,0,0,0,0,1|2,0,0]=3 979 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [0,0,0,0,0,1|2,0,0]=3 980 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [0,0,0,0,0,1|2,0,0]=3 981 B14R2.21 C[C@H]1CCCN(C1)c2cccnn2 27a_100000717927_100016991348 [0,0,0,0,0,1|3,0,0]=4 982 B14R2.21 C[C@H]1CCCN(C1)c2cnccn2 27a_100000717927_100000211759 [0,0,0,0,0,1|3,0,0]=4 983 B14R2.21 O=C1C=C(CCC1)c2cccnc2 271570a_100000723966_100000752921 [0,0,0,0,0,1|2,0,1]=4 984 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 2230a_100011236195_200025704644 [0,0,0,0,0,1|1,0,0]=2 985 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 269982a_100011236195_200025704644 [0,0,0,0,0,1|1,0,0]=2 986 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 34a_100011236195_200025704644 [0,0,0,0,0,1|1,0,0]=2 987 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [0,0,0,0,0,1|2,0,0]=3 988 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [0,0,0,0,0,1|2,0,0]=3 989 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [0,0,0,0,0,1|2,0,0]=3 990 B14R2.24 CC1CCCCN1c2cccnn2 27a_100000211376_100016991348 [0,0,0,0,0,1|3,0,0]=4 991 B14R2.24 CC1CCCCN1c2cnccn2 27a_100000211376_100000211759 [0,0,0,0,0,1|3,0,0]=4 992 B14R2.24 CN1CC=CCC1c2cccnc2 2230a_100000065465_200000210301 [0,0,0,0,0,1|0,0,1]=2 993 B14R2.24 CN1CC=CCC1c2cccnc2 269982a_100000065465_200000210301 [0,0,0,0,0,1|0,0,1]=2 994 B14R2.24 CN1CCCCC1c2ccccc2 2230a_100000707174_200000210301 [0,0,0,0,0,1|1,0,0]=2 995 B14R2.24 CN1CCCCC1c2ccccc2 269982a_100000707174_200000210301 [0,0,0,0,0,1|1,0,0]=2 996 B14R2.24 CN1CCCCC1c2ccccc2 34a_100000707174_200000210301 [0,0,0,0,0,1|1,0,0]=2 997 B14R2.24 CN1CCCCC1c2ccccn2 2230a_100015185292_200000210301 [0,0,0,0,0,1|2,0,0]=3 998 B14R2.24 CN1CCCCC1c2ccccn2 269982a_100015185292_200000210301 [0,0,0,0,0,1|2,0,0]=3 999 B14R2.24 CN1CCCCC1c2cccnc2 2230a_100000723942_200000210301 [0,0,0,0,0,1|0,0,0]=1 1000 B14R2.24 CN1CCCCC1c2cccnc2 269982a_100000723942_200000210301 [0,0,0,0,0,1|0,0,0]=1 1001 B14R2.24 CN1CCOCC1c2ccccc2 2230a_100000765270_200000210301 [0,0,0,0,0,1|1,0,0]=2 1002 B14R2.24 CN1CCOCC1c2ccccc2 269982a_100000765270_200000210301 [0,0,0,0,0,1|1,0,0]=2 1003 B14R2.24 CN1CCOCC1c2ccccc2 34a_100000765270_200000210301 [0,0,0,0,0,1|1,0,0]=2 1004 B14R2.24 CN1CCSCC1c2ccccc2 2230a_102495339932_200000210301 [0,0,0,0,0,1|1,0,0]=2 1005 B14R2.24 CN1CCSCC1c2ccccc2 269982a_102495339932_200000210301 [0,0,0,0,0,1|1,0,0]=2 1006 B14R2.24 CN1CCSCC1c2ccccc2 7a_102495339932_200000210301 [0,0,0,0,0,1|1,0,0]=2 1007 B14R2.24 C[C@H]1COCCN1c2cccnn2 27a_100009815349_100016991348 [0,0,0,0,0,1|3,0,0]=4 1008 B14R2.24 C[C@H]1COCCN1c2cnccn2 27a_100009815349_100000211759 [0,0,0,0,0,1|3,0,0]=4 1009 B14R2.24 [13CH3]N1CC=CCC1c2cccnc2 2230a_100000065465_200025704644 [0,0,0,0,0,1|0,0,1]=2 1010 B14R2.24 [13CH3]N1CC=CCC1c2cccnc2 269982a_100000065465_200025704644 [0,0,0,0,0,1|0,0,1]=2 1011 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 2230a_100000707174_200025704644 [0,0,0,0,0,1|1,0,0]=2 1012 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 269982a_100000707174_200025704644 [0,0,0,0,0,1|1,0,0]=2 1013 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 34a_100000707174_200025704644 [0,0,0,0,0,1|1,0,0]=2 1014 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 2230a_100015185292_200025704644 [0,0,0,0,0,1|2,0,0]=3 1015 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 269982a_100015185292_200025704644 [0,0,0,0,0,1|2,0,0]=3 1016 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 2230a_100000723942_200025704644 [0,0,0,0,0,1|0,0,0]=1 1017 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 269982a_100000723942_200025704644 [0,0,0,0,0,1|0,0,0]=1 1018 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 2230a_100000765270_200025704644 [0,0,0,0,0,1|1,0,0]=2 1019 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 269982a_100000765270_200025704644 [0,0,0,0,0,1|1,0,0]=2 1020 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 34a_100000765270_200025704644 [0,0,0,0,0,1|1,0,0]=2 1021 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 2230a_102495339932_200025704644 [0,0,0,0,0,1|1,0,0]=2 1022 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 269982a_102495339932_200025704644 [0,0,0,0,0,1|1,0,0]=2 1023 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 7a_102495339932_200025704644 [0,0,0,0,0,1|1,0,0]=2 1024 B14R2.30 CC1SCCN1Cc2cccnc2 2230a_200011216479_100000741622 [0,0,0,0,0,1|3,0,0]=4 1025 B14R2.30 CC1SCCN1Cc2cccnc2 269982a_200011216479_100000733263 [0,0,0,0,0,1|3,0,0]=4 1026 B14R2.30 CC1SCCN1Cc2cccnc2 270004a_200011216479_100000209961 [0,0,0,0,0,1|3,0,0]=4 1027 B14R2.30 CC1SCCN1Cc2cccnc2 34a_200011216479_100000733263 [0,0,0,0,0,1|3,0,0]=4 1028 B14R2.30 CN1CCCC1Cc2ccccc2 2230a_100159249835_200000210301 [0,0,0,0,0,1|1,0,0]=2 1029 B14R2.30 CN1CCCC1Cc2ccccc2 269982a_100159249835_200000210301 [0,0,0,0,0,1|1,0,0]=2 1030 B14R2.30 CN1CCCC1Cc2ccccc2 34a_100159249835_200000210301 [0,0,0,0,0,1|1,0,0]=2 1031 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 2230a_100015189458_100015291786 [0,0,0,0,0,1|3,0,0]=4 1032 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 269982a_100015189458_100000211182 [0,0,0,0,0,1|3,0,0]=4 1033 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 270004a_100015189458_100015611070 [0,0,0,0,0,1|3,0,0]=4 1034 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 34a_100015189458_100015291786 [0,0,0,0,0,1|3,0,0]=4 1035 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 2230a_100015189458_100000741622 [0,0,0,0,0,1|2,0,0]=3 1036 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 269982a_100015189458_100000733263 [0,0,0,0,0,1|2,0,0]=3 1037 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 270004a_100015189458_100000209961 [0,0,0,0,0,1|2,0,0]=3 1038 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 34a_100015189458_100000733263 [0,0,0,0,0,1|2,0,0]=3 1039 B14R2.30 C[C@@H]1CCCN1Cc2cccnn2 2230a_100015189458_100016990269 [0,0,0,0,0,1|3,0,0]=4 1040 B14R2.30 C[C@@H]1CCCN1Cc2cccnn2 34a_100015189458_100016990269 [0,0,0,0,0,1|3,0,0]=4 1041 B14R2.30 C[C@@H]1CCCN1Cc2ccnnc2 270004a_100015189458_100011934578 [0,0,0,0,0,1|3,0,0]=4 1042 B14R2.30 C[C@@H]1CCCN1Cc2cnccn2 2230a_100015189458_100016995436 [0,0,0,0,0,1|3,0,0]=4 1043 B14R2.30 C[C@@H]1CCCN1Cc2cnccn2 269982a_100015189458_100016995436 [0,0,0,0,0,1|3,0,0]=4 1044 B14R2.30 C[C@@H]1CCCN1Cc2cnccn2 270004a_100015189458_100000749867 [0,0,0,0,0,1|3,0,0]=4 1045 B14R2.30 C[C@@H]1CCCN1Cc2cnccn2 34a_100015189458_100016995436 [0,0,0,0,0,1|3,0,0]=4 1046 B14R2.30 C[C@@H]1CCCN1Cc2cncnc2 2230a_100015189458_100015196519 [0,0,0,0,0,1|3,0,0]=4 1047 B14R2.30 C[C@@H]1CCCN1Cc2cncnc2 269982a_100015189458_100016991940 [0,0,0,0,0,1|3,0,0]=4 1048 B14R2.30 C[C@@H]1CCCN1Cc2cncnc2 270004a_100015189458_100000749868 [0,0,0,0,0,1|3,0,0]=4 1049 B14R2.30 C[C@@H]1CCCN1Cc2cncnc2 34a_100015189458_100015196519 [0,0,0,0,0,1|3,0,0]=4 1050 B14R2.30 C[C@H]1CCCN1Cc2ccccc2 2230a_100020605311_100015291786 [0,0,0,0,0,1|3,0,0]=4 1051 B14R2.30 C[C@H]1CCCN1Cc2ccccc2 269982a_100020605311_100000211182 [0,0,0,0,0,1|3,0,0]=4 1052 B14R2.30 C[C@H]1CCCN1Cc2ccccc2 270004a_100020605311_100015611070 [0,0,0,0,0,1|3,0,0]=4 1053 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 2230a_100020605311_100000741622 [0,0,0,0,0,1|2,0,0]=3 1054 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 269982a_100020605311_100000733263 [0,0,0,0,0,1|2,0,0]=3 1055 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 270004a_100020605311_100000209961 [0,0,0,0,0,1|2,0,0]=3 1056 B14R2.30 C[C@H]1CCCN1Cc2cccnn2 2230a_100020605311_100016990269 [0,0,0,0,0,1|3,0,0]=4 1057 B14R2.30 C[C@H]1CCCN1Cc2ccnnc2 270004a_100020605311_100011934578 [0,0,0,0,0,1|3,0,0]=4 1058 B14R2.30 C[C@H]1CCCN1Cc2cnccn2 2230a_100020605311_100016995436 [0,0,0,0,0,1|3,0,0]=4 1059 B14R2.30 C[C@H]1CCCN1Cc2cnccn2 269982a_100020605311_100016995436 [0,0,0,0,0,1|3,0,0]=4 1060 B14R2.30 C[C@H]1CCCN1Cc2cnccn2 270004a_100020605311_100000749867 [0,0,0,0,0,1|3,0,0]=4 1061 B14R2.30 C[C@H]1CCCN1Cc2cncnc2 2230a_100020605311_100015196519 [0,0,0,0,0,1|3,0,0]=4 1062 B14R2.30 C[C@H]1CCCN1Cc2cncnc2 269982a_100020605311_100016991940 [0,0,0,0,0,1|3,0,0]=4 1063 B14R2.30 C[C@H]1CCCN1Cc2cncnc2 270004a_100020605311_100000749868 [0,0,0,0,0,1|3,0,0]=4 1064 B14R2.30 O=C1CCCC1Nc2ccccc2 34a_100000106764_100000709159 [0,0,0,0,0,1|3,0,0]=4 1065 B14R2.30 O=C1CCCC1Oc2ccccc2 34a_100000210340_100000709159 [0,0,0,0,0,1|3,0,0]=4 1066 B14R2.30 O=C1CCCC1Oc2ccccc2 7a_100000210340_100000211823 [0,0,0,0,0,1|3,0,0]=4 1067 B14R2.30 O=C1CCCC1Oc2cccnc2 34a_100000210849_100000709159 [0,0,0,0,0,1|2,0,0]=3 1068 B14R2.30 O=C1CCCC1Oc2cccnc2 7a_100000210849_100000211823 [0,0,0,0,0,1|2,0,0]=3 1069 B14R2.30 O=C1CCCC1Oc2ccnnc2 34a_100015204005_100000709159 [0,0,0,0,0,1|3,0,0]=4 1070 B14R2.30 O=C1CCCC1Oc2cncnc2 7a_100000754086_100000211823 [0,0,0,0,0,1|3,0,0]=4 1071 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000211823_100000041952 [0,0,0,0,0,1|3,0,0]=4 1072 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000719477_100000211823 [0,0,0,0,0,1|3,0,0]=4 1073 B14R2.30 O=C1CCCC1Sc2cccnc2 62a_100000210063_100000211823 [0,0,0,0,0,1|2,0,0]=3 1074 B14R2.30 O=C1CCCC1Sc2cccnc2 62a_100000211823_100000210063 [0,0,0,0,0,1|2,0,0]=3 1075 B14R2.30 O=C1CCCC1Sc2cccnn2 62a_100000211823_100016991348 [0,0,0,0,0,1|3,0,0]=4 1076 B14R2.30 O=C1CCCC1Sc2cccnn2 62a_100016991348_100000211823 [0,0,0,0,0,1|3,0,0]=4 1077 B14R2.30 O=C1CCCC1Sc2ccnnc2 62a_100000211823_100000732662 [0,0,0,0,0,1|3,0,0]=4 1078 B14R2.30 O=C1CCCC1Sc2ccnnc2 62a_100000732662_100000211823 [0,0,0,0,0,1|3,0,0]=4 1079 B14R2.30 O=C1CCCC1Sc2cnccn2 62a_100000211759_100000211823 [0,0,0,0,0,1|3,0,0]=4 1080 B14R2.30 O=C1CCCC1Sc2cnccn2 62a_100000211823_100000211759 [0,0,0,0,0,1|3,0,0]=4 1081 B14R2.30 O=C1CCCC1Sc2cncnc2 62a_100000211823_100011206942 [0,0,0,0,0,1|3,0,0]=4 1082 B14R2.30 O=C1CCCC1Sc2cncnc2 62a_100011206942_100000211823 [0,0,0,0,0,1|3,0,0]=4 1083 B14R2.30 O=C1OCCC1Oc2cccnc2 34a_100000210849_100000211211 [0,0,0,0,0,1|3,0,0]=4 1084 B14R2.30 O=C1OCCC1Oc2cccnc2 7a_100000210849_100000211211 [0,0,0,0,0,1|3,0,0]=4 1085 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000210063_100000211211 [0,0,0,0,0,1|3,0,0]=4 1086 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000211211_100000210063 [0,0,0,0,0,1|3,0,0]=4 1087 B14R2.30 OC1COCC1Oc2cccnc2 34a_100000210849_200000725654 [0,0,0,0,0,1|3,0,0]=4 1088 B14R2.30 OC1COCC1Oc2cccnc2 7a_100000210849_200000725654 [0,0,0,0,0,1|3,0,0]=4 1089 B14R2.30 OC1COCC1Sc2cccnc2 62a_100000210063_200000725654 [0,0,0,0,0,1|3,0,0]=4 1090 B14R2.30 OC1COCC1Sc2cccnc2 62a_200000725654_100000210063 [0,0,0,0,0,1|3,0,0]=4 1091 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 62a_100000719477_200016002552 [0,0,0,0,0,1|3,0,0]=4 1092 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 62a_200016002552_100000041952 [0,0,0,0,0,1|3,0,0]=4 1093 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnc2 62a_100000210063_200016002552 [0,0,0,0,0,1|2,0,0]=3 1094 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnc2 62a_200016002552_100000210063 [0,0,0,0,0,1|2,0,0]=3 1095 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnn2 62a_100016991348_200016002552 [0,0,0,0,0,1|3,0,0]=4 1096 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnn2 62a_200016002552_100016991348 [0,0,0,0,0,1|3,0,0]=4 1097 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccnnc2 62a_100000732662_200016002552 [0,0,0,0,0,1|3,0,0]=4 1098 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccnnc2 62a_200016002552_100000732662 [0,0,0,0,0,1|3,0,0]=4 1099 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cnccn2 62a_100000211759_200016002552 [0,0,0,0,0,1|3,0,0]=4 1100 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cnccn2 62a_200016002552_100000211759 [0,0,0,0,0,1|3,0,0]=4 1101 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cncnc2 62a_100011206942_200016002552 [0,0,0,0,0,1|3,0,0]=4 1102 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cncnc2 62a_200016002552_100011206942 [0,0,0,0,0,1|3,0,0]=4 1103 B14R2.30 O[C@H]1CCC[C@@H]1Nc2cccnn2 27a_100000748460_100016991348 [0,0,0,0,0,1|3,0,0]=4 1104 B14R2.30 O[C@H]1CCC[C@@H]1Nc2cnccn2 27a_100000748460_100000211759 [0,0,0,0,0,1|3,0,0]=4 1105 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 2230a_100159249835_200025704644 [0,0,0,0,0,1|1,0,0]=2 1106 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 269982a_100159249835_200025704644 [0,0,0,0,0,1|1,0,0]=2 1107 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 34a_100159249835_200025704644 [0,0,0,0,0,1|1,0,0]=2 1108 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [1,0,1,0,0,0|1,0,0]=3 1109 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [1,0,1,0,0,0|1,0,0]=3 1110 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [1,0,1,0,0,0|2,0,0]=4 1111 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [1,0,1,0,0,0|2,0,0]=4 1112 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [1,0,1,0,0,0|0,0,0]=2 1113 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [1,0,1,0,0,0|0,0,0]=2 1114 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [1,0,1,0,0,0|2,0,0]=4 1115 B11R1.12 CCC(NC)c1cnccn1 2230a_200016994365_200000210301 [1,0,1,0,0,0|1,0,0]=3 1116 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [1,0,1,0,0,0|1,0,0]=3 1117 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [1,0,1,0,0,0|2,0,0]=4 1118 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [1,0,1,0,0,0|0,0,0]=2 1119 B11R1.12 CCC(N[13CH3])c1cnccn1 2230a_200016994365_200025704644 [1,0,1,0,0,0|1,0,0]=3 1120 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1121 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1122 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1123 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1124 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,0,1,0,0,0|2,0,0]=4 1125 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,0,1,0,0,0|2,0,0]=4 1126 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,0,1,0,0,0|2,0,0]=4 1127 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,0,1,0,0,0|2,0,0]=4 1128 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,0,1,0,0,0|2,0,0]=4 1129 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,0,1,0,0,0|2,0,0]=4 1130 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,0,1,0,0,0|2,0,0]=4 1131 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,0,1,0,0,0|2,0,0]=4 1132 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,0,1,0,0,0|2,0,0]=4 1133 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,0,1,0,0,0|2,0,0]=4 1134 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,0,1,0,0,0|2,0,0]=4 1135 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,0,1,0,0,0|2,0,0]=4 1136 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,0,1,0,0,0|2,0,0]=4 1137 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,0,1,0,0,0|2,0,0]=4 1138 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,0,1,0,0,0|2,0,0]=4 1139 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,0,1,0,0,0|2,0,0]=4 1140 B11R1.16 CCCN(C)c1cccnn1 27a_100000747261_100016991348 [1,0,1,0,0,0|2,0,0]=4 1141 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [1,0,1,0,0,0|2,0,0]=4 1142 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,0,1,0,0,0|2,0,0]=4 1143 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,0,1,0,0,0|2,0,0]=4 1144 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,0,1,0,0,0|2,0,0]=4 1145 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,0,1,0,0,0|1,0,0]=3 1146 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,0,1,0,0,0|1,0,0]=3 1147 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [1,0,1,0,0,0|2,0,0]=4 1148 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [1,0,1,0,0,0|2,0,0]=4 1149 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [1,0,1,0,0,0|0,0,0]=2 1150 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [1,0,1,0,0,0|0,0,0]=2 1151 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [1,0,1,0,0,0|1,0,0]=3 1152 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [1,0,1,0,0,0|2,0,0]=4 1153 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [1,0,1,0,0,0|2,0,0]=4 1154 B11R1.16 CCNC(C)c1ccnnc1 269862a_100015525214_100012182992 [1,0,1,0,0,0|1,0,0]=3 1155 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [1,0,1,0,0,0|1,0,0]=3 1156 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [1,0,1,0,0,0|1,0,0]=3 1157 B11R1.16 CCNC(C)c1cncnc1 269862a_100015525214_100000757475 [1,0,1,0,0,0|1,0,0]=3 1158 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,0,1,0,0,0|1,0,0]=3 1159 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [1,0,1,0,0,0|1,0,0]=3 1160 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,0,1,0,0,0|2,0,0]=4 1161 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,0,1,0,0,0|2,0,0]=4 1162 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,0,1,0,0,0|2,0,0]=4 1163 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,0,1,0,0,0|2,0,0]=4 1164 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,0,1,0,0,0|2,0,0]=4 1165 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [1,0,1,0,0,0|2,0,0]=4 1166 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [1,0,1,0,0,0|2,0,0]=4 1167 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,0,1,0,0,0|2,0,0]=4 1168 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,0,1,0,0,0|2,0,0]=4 1169 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,0,1,0,0,0|2,0,0]=4 1170 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,0,1,0,0,0|2,0,0]=4 1171 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,0,1,0,0,0|2,0,0]=4 1172 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,0,1,0,0,0|2,0,0]=4 1173 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,0,1,0,0,0|2,0,0]=4 1174 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,0,1,0,0,0|2,0,0]=4 1175 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,0,1,0,0,0|2,0,0]=4 1176 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,0,1,0,0,0|2,0,0]=4 1177 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,0,1,0,0,0|2,0,0]=4 1178 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,0,1,0,0,0|2,0,0]=4 1179 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,0,1,0,0,0|2,0,0]=4 1180 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,0,1,0,0,0|2,0,0]=4 1181 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,0,1,0,0,0|2,0,0]=4 1182 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,0,1,0,0,0|2,0,0]=4 1183 B11R1.28 C#CCNCc1cccnc1 34a_100000212058_100000733263 [1,0,1,0,0,0|0,0,2]=4 1184 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [1,0,1,0,0,0|0,0,2]=4 1185 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [1,0,1,0,0,0|0,0,2]=4 1186 B11R1.28 CC=NNCc1cccnc1 4a_100000738295_200000210099 [1,0,1,0,0,0|1,0,1]=4 1187 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [1,0,1,0,0,0|0,0,2]=4 1188 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,0,1,0,0,0|2,0,0]=4 1189 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [1,0,1,0,0,0|2,0,0]=4 1190 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [1,0,1,0,0,0|2,0,0]=4 1191 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,0,1,0,0,0|2,0,0]=4 1192 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,0,1,0,0,0|2,0,0]=4 1193 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,0,1,0,0,0|1,0,0]=3 1194 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,0,1,0,0,0|1,0,0]=3 1195 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [1,0,1,0,0,0|2,0,0]=4 1196 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [1,0,1,0,0,0|2,0,0]=4 1197 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,0,1,0,0,0|2,0,0]=4 1198 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,0,1,0,0,0|2,0,0]=4 1199 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,0,1,0,0,0|1,0,0]=3 1200 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,0,1,0,0,0|1,0,0]=3 1201 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [1,0,1,0,0,0|2,0,0]=4 1202 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [1,0,1,0,0,0|2,0,0]=4 1203 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [1,0,1,0,0,0|2,0,0]=4 1204 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [1,0,1,0,0,0|2,0,0]=4 1205 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [1,0,1,0,0,0|2,0,0]=4 1206 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [1,0,1,0,0,0|2,0,0]=4 1207 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [1,0,1,0,0,0|2,0,0]=4 1208 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [1,0,1,0,0,0|2,0,0]=4 1209 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,0,1,0,0,0|1,0,0]=3 1210 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,0,1,0,0,0|1,0,0]=3 1211 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,0,1,0,0,0|1,0,0]=3 1212 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,0,1,0,0,0|1,0,0]=3 1213 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,0,1,0,0,0|2,0,0]=4 1214 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,0,1,0,0,0|2,0,0]=4 1215 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,0,1,0,0,0|0,0,0]=2 1216 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,0,1,0,0,0|0,0,0]=2 1217 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [1,0,1,0,0,0|1,0,0]=3 1218 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,0,1,0,0,0|2,0,0]=4 1219 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [1,0,1,0,0,0|1,0,0]=3 1220 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [1,0,1,0,0,0|1,0,0]=3 1221 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [1,0,1,0,0,0|1,0,0]=3 1222 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [1,0,1,0,0,0|1,0,0]=3 1223 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,0,1,0,0,0|2,0,0]=4 1224 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,0,1,0,0,0|2,0,0]=4 1225 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,0,1,0,0,0|2,0,0]=4 1226 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,0,1,0,0,0|1,0,0]=3 1227 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [1,0,1,0,0,0|2,0,0]=4 1228 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [1,0,1,0,0,0|2,0,0]=4 1229 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [1,0,1,0,0,0|2,0,0]=4 1230 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,0,1,0,0,0|2,0,0]=4 1231 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,0,1,0,0,0|2,0,0]=4 1232 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,0,1,0,0,0|1,0,0]=3 1233 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,0,1,0,0,0|1,0,0]=3 1234 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [1,0,1,0,0,0|2,0,0]=4 1235 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [1,0,1,0,0,0|2,0,0]=4 1236 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [1,0,1,0,0,0|2,0,0]=4 1237 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [1,0,1,0,0,0|2,0,0]=4 1238 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [1,0,1,0,0,0|2,0,0]=4 1239 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [1,0,1,0,0,0|2,0,0]=4 1240 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,1,0,0,0|2,0,0]=4 1241 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,1,0,0,0|2,0,0]=4 1242 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,1,0,0,0|2,0,0]=4 1243 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,0,1,0,0,0|1,0,0]=3 1244 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,0,1,0,0,0|1,0,0]=3 1245 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,1,0,0,0|2,0,0]=4 1246 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,1,0,0,0|2,0,0]=4 1247 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,1,0,0,0|2,0,0]=4 1248 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,0,1,0,0,0|1,0,0]=3 1249 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [1,0,1,0,0,0|2,0,0]=4 1250 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [1,0,1,0,0,0|2,0,0]=4 1251 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [1,0,1,0,0,0|2,0,0]=4 1252 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [1,0,1,0,0,0|2,0,0]=4 1253 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,0,1,0,0,0|2,0,0]=4 1254 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,0,1,0,0,0|2,0,0]=4 1255 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [1,0,1,0,0,0|1,0,0]=3 1256 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [1,0,1,0,0,0|1,0,0]=3 1257 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,1,0,0,0|1,0,0]=3 1258 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,1,0,0,0|1,0,0]=3 1259 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,1,0,0,0|1,0,0]=3 1260 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,1,0,0,0|1,0,0]=3 1261 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,1,0,0,0|1,0,0]=3 1262 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,0,1,0,0,0|0,0,0]=2 1263 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,0,1,0,0,0|0,0,0]=2 1264 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,0,1,0,0,0|2,0,0]=4 1265 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,0,1,0,0,0|2,0,0]=4 1266 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,0,1,0,0,0|2,0,0]=4 1267 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,0,1,0,0,0|2,0,0]=4 1268 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,0,1,0,0,0|2,0,0]=4 1269 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,0,1,0,0,0|2,0,0]=4 1270 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,0,1,0,0,0|2,0,0]=4 1271 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [1,0,1,0,0,0|1,0,0]=3 1272 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,0,1,0,0,0|2,0,0]=4 1273 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,0,1,0,0,0|2,0,0]=4 1274 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,0,1,0,0,0|2,0,0]=4 1275 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,0,1,0,0,0|2,0,0]=4 1276 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,0,1,0,0,0|2,0,0]=4 1277 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,0,1,0,0,0|2,0,0]=4 1278 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,0,1,0,0,0|2,0,0]=4 1279 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,0,1,0,0,0|2,0,0]=4 1280 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,1,0,0,0|2,0,0]=4 1281 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,1,0,0,0|2,0,0]=4 1282 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,1,0,0,0|2,0,0]=4 1283 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,0,1,0,0,0|1,0,0]=3 1284 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,0,1,0,0,0|2,0,0]=4 1285 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,0,1,0,0,0|2,0,0]=4 1286 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,0,1,0,0,0|2,0,0]=4 1287 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,0,1,0,0,0|2,0,0]=4 1288 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,1,0,0,0|2,0,0]=4 1289 B11R1.28 COCNCc1cccnn1 2230a_100159270163_100000766300 [1,0,1,0,0,0|2,0,0]=4 1290 B11R1.28 COCNCc1cncnc1 2230a_100011243677_100000766300 [1,0,1,0,0,0|2,0,0]=4 1291 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,0,1,0,0,0|2,0,0]=4 1292 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,0,1,0,0,0|2,0,0]=4 1293 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,1,0,0,0|2,0,0]=4 1294 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,1,0,0,0|2,0,0]=4 1295 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [1,0,1,0,0,0|2,0,0]=4 1296 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [1,0,1,0,0,0|2,0,0]=4 1297 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [1,0,1,0,0,0|2,0,0]=4 1298 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [1,0,1,0,0,0|2,0,0]=4 1299 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,0,1,0,0,0|2,0,0]=4 1300 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,0,1,0,0,0|2,0,0]=4 1301 B11R1.28 CSCNCc1cccnn1 2230a_100159270163_100011218213 [1,0,1,0,0,0|2,0,0]=4 1302 B11R1.28 CSCNCc1cncnc1 2230a_100011243677_100011218213 [1,0,1,0,0,0|2,0,0]=4 1303 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [1,0,1,0,0,0|2,0,0]=4 1304 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [1,0,1,0,0,0|2,0,0]=4 1305 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [1,0,1,0,0,0|2,0,0]=4 1306 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [1,0,1,0,0,0|2,0,0]=4 1307 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [1,0,1,0,0,0|2,0,0]=4 1308 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [1,0,1,0,0,0|2,0,0]=4 1309 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,0,1,0,0,0|2,0,0]=4 1310 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,0,1,0,0,0|2,0,0]=4 1311 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,0,1,0,0,0|2,0,0]=4 1312 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [1,0,1,0,0,0|1,0,0]=3 1313 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [1,0,1,0,0,0|2,0,0]=4 1314 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [1,0,1,0,0,0|2,0,0]=4 1315 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [1,0,1,0,0,0|2,0,0]=4 1316 B11R1.28 FCCNCc1cncnc1 2230a_100011243677_100011217306 [1,0,1,0,0,0|2,0,0]=4 1317 B11R1.28 FCCNCc1cncnc1 34a_100000724931_100015196519 [1,0,1,0,0,0|2,0,0]=4 1318 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [1,0,1,0,0,0|2,0,0]=4 1319 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [1,0,1,0,0,0|2,0,0]=4 1320 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,0,1,0,0,0|2,0,0]=4 1321 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [1,0,1,0,0,0|2,0,0]=4 1322 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [1,0,1,0,0,0|2,0,0]=4 1323 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,0,1,0,0,0|2,0,0]=4 1324 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,0,1,0,0,0|1,0,0]=3 1325 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [1,0,1,0,0,0|2,0,0]=4 1326 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [1,0,1,0,0,0|2,0,0]=4 1327 B11R1.28 NCCOCc1cncnc1 34a_100000210304_100015196519 [1,0,1,0,0,0|2,0,0]=4 1328 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,0,1,0,0,0|2,0,0]=4 1329 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,0,1,0,0,0|2,0,0]=4 1330 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [1,0,1,0,0,0|2,0,0]=4 1331 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [1,0,1,0,0,0|2,0,0]=4 1332 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,0,1,0,0,0|2,0,0]=4 1333 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,0,1,0,0,0|2,0,0]=4 1334 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,0,1,0,0,0|2,0,0]=4 1335 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,0,1,0,0,0|2,0,0]=4 1336 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,0,1,0,0,0|2,0,0]=4 1337 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,0,1,0,0,0|2,0,0]=4 1338 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [1,0,1,0,0,0|1,0,0]=3 1339 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [1,0,1,0,0,0|1,0,0]=3 1340 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [1,0,1,0,0,0|1,0,0]=3 1341 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [1,0,1,0,0,0|1,0,0]=3 1342 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [1,0,1,0,0,0|2,0,0]=4 1343 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [1,0,1,0,0,0|2,0,0]=4 1344 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [1,0,1,0,0,0|2,0,0]=4 1345 B11R1.28 OCCNCc1ccnnc1 270004a_100000210304_100011934578 [1,0,1,0,0,0|2,0,0]=4 1346 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [1,0,1,0,0,0|2,0,0]=4 1347 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [1,0,1,0,0,0|2,0,0]=4 1348 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [1,0,1,0,0,0|2,0,0]=4 1349 B11R1.28 OCCNCc1cncnc1 2230a_100011243677_100000211926 [1,0,1,0,0,0|2,0,0]=4 1350 B11R1.28 OCCNCc1cncnc1 2230a_100016997473_100015196519 [1,0,1,0,0,0|2,0,0]=4 1351 B11R1.28 OCCNCc1cncnc1 270004a_100000210304_100000749868 [1,0,1,0,0,0|2,0,0]=4 1352 B11R1.28 OCCNCc1cncnc1 34a_100016990907_100015196519 [1,0,1,0,0,0|2,0,0]=4 1353 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [1,0,1,0,0,0|2,0,0]=4 1354 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [1,0,1,0,0,0|2,0,0]=4 1355 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,1,0,0,0|1,0,0]=3 1356 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,1,0,0,0|1,0,0]=3 1357 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,0,1,0,0,0|0,0,0]=2 1358 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,0,1,0,0,0|0,0,0]=2 1359 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,0,1,0,0,0|2,0,0]=4 1360 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,0,1,0,0,0|2,0,0]=4 1361 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,0,1,0,0,0|2,0,0]=4 1362 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [1,0,1,0,0,0|1,0,0]=3 1363 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,0,1,0,0,0|2,0,0]=4 1364 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,1,0,0,0|2,0,0]=4 1365 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,1,0,0,0|2,0,0]=4 1366 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,0,1,0,0,0|1,0,0]=3 1367 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,1,0,0,0|2,0,0]=4 1368 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,1,0,0,0|2,0,0]=4 1369 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,0,1,0,0,0|2,0,0]=4 1370 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,0,1,0,0,0|2,0,0]=4 1371 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,0,1,0,0,0|2,0,0]=4 1372 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [1,0,1,0,0,0|2,0,0]=4 1373 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [1,0,1,0,0,0|2,0,0]=4 1374 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [1,0,1,0,0,0|2,0,0]=4 1375 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [1,0,1,0,0,0|2,0,0]=4 1376 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,0,1,0,0,0|1,0,0]=3 1377 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,0,1,0,0,0|1,0,0]=3 1378 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,0,1,0,0,0|1,0,0]=3 1379 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,0,1,0,0,0|1,0,0]=3 1380 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,0,1,0,0,0|1,0,0]=3 1381 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,0,1,0,0,0|1,0,0]=3 1382 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [1,0,1,0,0,0|2,0,0]=4 1383 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [1,0,1,0,0,0|2,0,0]=4 1384 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [1,0,1,0,0,0|2,0,0]=4 1385 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [1,0,1,0,0,0|2,0,0]=4 1386 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [1,0,1,0,0,0|2,0,0]=4 1387 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [1,0,1,0,0,0|2,0,0]=4 1388 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [1,0,1,0,0,0|0,0,0]=2 1389 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [1,0,1,0,0,0|0,0,0]=2 1390 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [1,0,1,0,0,0|0,0,0]=2 1391 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [1,0,1,0,0,0|0,0,0]=2 1392 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [1,0,1,0,0,0|0,0,0]=2 1393 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [1,0,1,0,0,0|0,0,0]=2 1394 B11R1.40 CCN(C)Cc1cccnn1 2230a_100000225621_100016990269 [1,0,1,0,0,0|1,0,0]=3 1395 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [1,0,1,0,0,0|2,0,0]=4 1396 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [1,0,1,0,0,0|2,0,0]=4 1397 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [1,0,1,0,0,0|2,0,0]=4 1398 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [1,0,1,0,0,0|2,0,0]=4 1399 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [1,0,1,0,0,0|2,0,0]=4 1400 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [1,0,1,0,0,0|2,0,0]=4 1401 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [1,0,1,0,0,0|1,0,0]=3 1402 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [1,0,1,0,0,0|1,0,0]=3 1403 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [1,0,1,0,0,0|1,0,0]=3 1404 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [1,0,1,0,0,0|1,0,0]=3 1405 B11R1.40 CCN(C)Cc1cncnc1 2230a_100000225621_100015196519 [1,0,1,0,0,0|1,0,0]=3 1406 B11R1.40 CCN(C)Cc1cncnc1 269982a_100000225621_100016991940 [1,0,1,0,0,0|1,0,0]=3 1407 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,0,1,0,0,0|1,0,0]=3 1408 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,0,1,0,0,0|1,0,0]=3 1409 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [1,0,1,0,0,0|2,0,0]=4 1410 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [1,0,1,0,0,0|2,0,0]=4 1411 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [1,0,1,0,0,0|0,0,0]=2 1412 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [1,0,1,0,0,0|0,0,0]=2 1413 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [1,0,1,0,0,0|2,0,0]=4 1414 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [1,0,1,0,0,0|2,0,0]=4 1415 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [1,0,1,0,0,0|2,0,0]=4 1416 B11R1.40 CN(CF)Cc1cccnc1 269982a_100000184577_100015361967 [1,0,1,0,0,0|1,0,0]=3 1417 B11R1.40 CN(CF)Cc1cnccn1 269982a_100011269079_100015361967 [1,0,1,0,0,0|2,0,0]=4 1418 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,0,1,0,0,0|2,0,0]=4 1419 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,0,1,0,0,0|2,0,0]=4 1420 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [1,0,1,0,0,0|1,0,1]=4 1421 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,0,1,0,0,0|1,0,0]=3 1422 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,0,1,0,0,0|1,0,0]=3 1423 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,0,1,0,0,0|1,0,0]=3 1424 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,0,1,0,0,0|1,0,0]=3 1425 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,0,1,0,0,0|1,0,0]=3 1426 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,0,1,0,0,0|1,0,0]=3 1427 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [1,0,1,0,0,0|2,0,0]=4 1428 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [1,0,1,0,0,0|2,0,0]=4 1429 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [1,0,1,0,0,0|2,0,0]=4 1430 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [1,0,1,0,0,0|2,0,0]=4 1431 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [1,0,1,0,0,0|0,0,0]=2 1432 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [1,0,1,0,0,0|0,0,0]=2 1433 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [1,0,1,0,0,0|0,0,0]=2 1434 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [1,0,1,0,0,0|0,0,0]=2 1435 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [1,0,1,0,0,0|2,0,0]=4 1436 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [1,0,1,0,0,0|2,0,0]=4 1437 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [1,0,1,0,0,0|2,0,0]=4 1438 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [1,0,1,0,0,0|2,0,0]=4 1439 B11R1.36 CC(c1cnccn1)N(C)C 2230a_100102631434_200000703233 [1,0,1,0,0,0|1,0,0]=3 1440 B11R1.36 CC(c1cnccn1)N(C)C 269982a_100102631434_200000703233 [1,0,1,0,0,0|1,0,0]=3 1441 B11R1.199 C=CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210623 [1,0,1,0,0,0|1,0,1]=4 1442 B13R1.1 CCCC(NC)c1ccc(cc1)Br 269862a_106832991636_100011267722 [0,1,1,0,0,0|1,0,0]=3 1443 B13R1.1 CCCC(NC)c1ccc(cc1)C 269862a_106832991636_200011216210 [0,1,1,0,0,0|1,0,0]=3 1444 B13R1.1 CCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000211515 [0,1,1,0,0,0|1,0,0]=3 1445 B13R1.1 CCCC(NC)c1ccc(cc1)F 269862a_106832991636_100011267477 [0,1,1,0,0,0|1,0,0]=3 1446 B13R1.1 CCCC(NC)c1ccc(nc1)Cl 269862a_106832991636_200012185933 [0,1,1,0,0,0|0,0,0]=2 1447 B13R1.1 CCCC(OC)c1ccc(cc1)Br 34a_100011350873_200000210301 [0,1,1,0,0,0|2,0,0]=4 1448 B13R1.1 CCCC(OC)c1ccc(cc1)Br 7a_100011350873_200000210301 [0,1,1,0,0,0|2,0,0]=4 1449 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 34a_100011350873_200025704644 [0,1,1,0,0,0|2,0,0]=4 1450 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 7a_100011350873_200025704644 [0,1,1,0,0,0|2,0,0]=4 1451 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 2230a_200020633650_200000210301 [0,1,1,0,0,0|1,0,0]=3 1452 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 34a_200020633650_200000210301 [0,1,1,0,0,0|1,0,0]=3 1453 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 2230a_200020633650_200025704644 [0,1,1,0,0,0|1,0,0]=3 1454 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 34a_200020633650_200025704644 [0,1,1,0,0,0|1,0,0]=3 1455 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 2230a_100020612123_200000210301 [0,1,1,0,0,0|1,0,0]=3 1456 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 34a_100020612123_200000210301 [0,1,1,0,0,0|1,0,0]=3 1457 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 2230a_100020612123_200025704644 [0,1,1,0,0,0|1,0,0]=3 1458 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 34a_100020612123_200025704644 [0,1,1,0,0,0|1,0,0]=3 1459 B13R1.1 CNC(CCO)c1ccc(cc1)C 2230a_100011661551_200000210301 [0,1,1,0,0,0|2,0,0]=4 1460 B13R1.1 CNC(CCO)c1ccc(cc1)C 34a_100011661551_200000210301 [0,1,1,0,0,0|2,0,0]=4 1461 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200000210301 [0,1,1,0,0,0|2,0,0]=4 1462 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,1,1,0,0,0|2,0,0]=4 1463 B13R1.1 CNC(CCO)c1ccc(cc1)F 2230a_100000752280_200000210301 [0,1,1,0,0,0|2,0,0]=4 1464 B13R1.1 CNC(CCO)c1ccc(cc1)F 34a_100000752280_200000210301 [0,1,1,0,0,0|2,0,0]=4 1465 B13R1.1 CNC(COC)c1ccc(cc1)Br 269862a_106832991636_200011343064 [0,1,1,0,0,0|2,0,0]=4 1466 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200000210301 [0,1,1,0,0,0|2,0,0]=4 1467 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,1,1,0,0,0|2,0,0]=4 1468 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 2230a_100011661551_200025704644 [0,1,1,0,0,0|2,0,0]=4 1469 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 34a_100011661551_200025704644 [0,1,1,0,0,0|2,0,0]=4 1470 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200025704644 [0,1,1,0,0,0|2,0,0]=4 1471 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,1,1,0,0,0|2,0,0]=4 1472 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 2230a_100000752280_200025704644 [0,1,1,0,0,0|2,0,0]=4 1473 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 34a_100000752280_200025704644 [0,1,1,0,0,0|2,0,0]=4 1474 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200025704644 [0,1,1,0,0,0|2,0,0]=4 1475 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,1,1,0,0,0|2,0,0]=4 1476 B13R1.2 CCNC(CC)c1cncc(c1)F 269862a_100015525214_100011491000 [0,1,1,0,0,0|2,0,0]=4 1477 B13R1.2 CNC(CCO)c1cccc(c1)Br 2230a_200011661555_200000210301 [0,1,1,0,0,0|2,0,0]=4 1478 B13R1.2 CNC(CCO)c1cccc(c1)Br 34a_200011661555_200000210301 [0,1,1,0,0,0|2,0,0]=4 1479 B13R1.2 CNC(CCO)c1cccc(c1)C 2230a_100011661531_200000210301 [0,1,1,0,0,0|2,0,0]=4 1480 B13R1.2 CNC(CCO)c1cccc(c1)C 34a_100011661531_200000210301 [0,1,1,0,0,0|2,0,0]=4 1481 B13R1.2 CNC(CCO)c1cccc(c1)Cl 2230a_200011661548_200000210301 [0,1,1,0,0,0|2,0,0]=4 1482 B13R1.2 CNC(CCO)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,1,1,0,0,0|2,0,0]=4 1483 B13R1.2 CNC(CCO)c1cccc(c1)F 2230a_100011661530_200000210301 [0,1,1,0,0,0|2,0,0]=4 1484 B13R1.2 CNC(CCO)c1cccc(c1)F 34a_100011661530_200000210301 [0,1,1,0,0,0|2,0,0]=4 1485 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200000210301 [0,1,1,0,0,0|2,0,0]=4 1486 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200000210301 [0,1,1,0,0,0|2,0,0]=4 1487 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 2230a_100011661531_200025704644 [0,1,1,0,0,0|2,0,0]=4 1488 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 34a_100011661531_200025704644 [0,1,1,0,0,0|2,0,0]=4 1489 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 2230a_200011661555_200025704644 [0,1,1,0,0,0|2,0,0]=4 1490 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 34a_200011661555_200025704644 [0,1,1,0,0,0|2,0,0]=4 1491 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 2230a_200011661548_200025704644 [0,1,1,0,0,0|2,0,0]=4 1492 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,1,1,0,0,0|2,0,0]=4 1493 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 2230a_100011661530_200025704644 [0,1,1,0,0,0|2,0,0]=4 1494 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 34a_100011661530_200025704644 [0,1,1,0,0,0|2,0,0]=4 1495 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200025704644 [0,1,1,0,0,0|2,0,0]=4 1496 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200025704644 [0,1,1,0,0,0|2,0,0]=4 1497 B13R1.26 CCC(NCCF)c1cccnc1 2230a_100000246009_100011217306 [0,1,1,0,0,0|2,0,0]=4 1498 B13R1.26 CCC(NCCF)c1cccnc1 269862a_100000724931_100011218761 [0,1,1,0,0,0|2,0,0]=4 1499 B13R1.26 CCC(NCCO)c1cccnc1 2230a_100000246009_100000211926 [0,1,1,0,0,0|2,0,0]=4 1500 B13R1.26 CCC(NCCO)c1cccnc1 269862a_100000210304_100011218761 [0,1,1,0,0,0|2,0,0]=4 1501 B13R1.26 CCC(NCOC)c1cccnc1 2230a_100000246009_100000766300 [0,1,1,0,0,0|2,0,0]=4 1502 B13R1.26 CCC(NCSC)c1cccnc1 2230a_100000246009_100011218213 [0,1,1,0,0,0|2,0,0]=4 1503 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,1,1,0,0,0|1,0,0]=3 1504 B13R1.26 CCCCC(NC)c1cccnc1 2230a_200011711859_200000210301 [0,1,1,0,0,0|0,0,0]=2 1505 B13R1.26 CCCCC(NC)c1cccnc1 269862a_106832991636_200011709925 [0,1,1,0,0,0|0,0,0]=2 1506 B13R1.26 CCCCC(NC)c1ccncc1 2230a_100015203128_200000210301 [0,1,1,0,0,0|2,0,0]=4 1507 B13R1.26 CCCCC(N[13CH3])c1cccnc1 2230a_200011711859_200025704644 [0,1,1,0,0,0|0,0,0]=2 1508 B13R1.26 CCCCC(N[13CH3])c1ccncc1 2230a_100015203128_200025704644 [0,1,1,0,0,0|2,0,0]=4 1509 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,1,1,0,0,0|2,0,0]=4 1510 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,1,1,0,0,0|2,0,0]=4 1511 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,1,1,0,0,0|2,0,0]=4 1512 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,1,1,0,0,0|2,0,0]=4 1513 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,1,1,0,0,0|2,0,0]=4 1514 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,1,1,0,0,0|2,0,0]=4 1515 B13R1.26 CCCNC(CC)c1cccnc1 2230a_100000246009_100000210303 [0,1,1,0,0,0|1,0,0]=3 1516 B13R1.26 CCCNC(CC)c1cccnc1 269862a_100020643023_100011218761 [0,1,1,0,0,0|1,0,0]=3 1517 B13R1.26 CCCNC(CC)c1cnccn1 2230a_200016994365_100000210303 [0,1,1,0,0,0|2,0,0]=4 1518 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,1,1,0,0,0|2,0,0]=4 1519 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,1,1,0,0,0|2,0,0]=4 1520 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [0,1,1,0,0,0|2,0,0]=4 1521 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,1,1,0,0,0|2,0,0]=4 1522 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,1,1,0,0,0|2,0,0]=4 1523 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,1,1,0,0,0|2,0,0]=4 1524 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,1,1,0,0,0|2,0,0]=4 1525 B13R1.26 CNC(CCCO)c1ccccc1 2230a_100000759318_200000210301 [0,1,1,0,0,0|1,0,0]=3 1526 B13R1.26 CNC(CCCO)c1ccccc1 34a_100000759318_200000210301 [0,1,1,0,0,0|1,0,0]=3 1527 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [0,1,1,0,0,0|1,0,0]=3 1528 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 2230a_100000759318_200025704644 [0,1,1,0,0,0|1,0,0]=3 1529 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 34a_100000759318_200025704644 [0,1,1,0,0,0|1,0,0]=3 1530 B13R1.173 CCCC(NC)c1ccccc1Cl 269862a_106832991636_100011400565 [0,1,1,0,0,0|1,0,0]=3 1531 B13R1.173 CNC(CCO)c1ccccc1Cl 2230a_100011661560_200000210301 [0,1,1,0,0,0|2,0,0]=4 1532 B13R1.173 CNC(CCO)c1ccccc1Cl 34a_100011661560_200000210301 [0,1,1,0,0,0|2,0,0]=4 1533 B13R1.173 CNC(CCO)c1ccccc1F 2230a_100011661569_200000210301 [0,1,1,0,0,0|2,0,0]=4 1534 B13R1.173 CNC(CCO)c1ccccc1F 34a_100011661569_200000210301 [0,1,1,0,0,0|2,0,0]=4 1535 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 2230a_100011661560_200025704644 [0,1,1,0,0,0|2,0,0]=4 1536 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 34a_100011661560_200025704644 [0,1,1,0,0,0|2,0,0]=4 1537 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 2230a_100011661569_200025704644 [0,1,1,0,0,0|2,0,0]=4 1538 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 34a_100011661569_200025704644 [0,1,1,0,0,0|2,0,0]=4 1539 B13R1.398 CCCC(NCC)c1ccccc1 2230a_100000189686_100000210202 [0,1,1,0,0,0|1,0,0]=3 1540 B13R1.398 CCCC(NCC)c1ccccc1 269862a_100015525214_100000211045 [0,1,1,0,0,0|1,0,0]=3 1541 B13R1.398 CCCC(NCC)c1ccccc1 34a_100000189686_100000210202 [0,1,1,0,0,0|1,0,0]=3 1542 B13R1.398 CCCC(NCC)c1ccccn1 269862a_100015525214_100000751832 [0,1,1,0,0,0|2,0,0]=4 1543 B13R1.398 CCCC(NCC)c1cccnc1 2230a_100011351308_100000210202 [0,1,1,0,0,0|0,0,0]=2 1544 B13R1.398 CCCC(NCC)c1cccnc1 269862a_100015525214_100000700227 [0,1,1,0,0,0|0,0,0]=2 1545 B13R1.398 CCCC(NCC)c1ccncc1 269862a_100015525214_100011350605 [0,1,1,0,0,0|2,0,0]=4 1546 B13R1.398 CCCC(NCF)c1ccccc1 34a_100000189686_100015361967 [0,1,1,0,0,0|1,0,0]=3 1547 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,1,1,0,0,0|2,0,0]=4 1548 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,1,1,0,0,0|2,0,0]=4 1549 B13R1.398 CCCC(OCF)c1ccccc1 34a_100000747916_100015361967 [0,1,1,0,0,0|2,0,0]=4 1550 B13R1.398 CCCC(OCF)c1ccccc1 7a_100000747916_100015361967 [0,1,1,0,0,0|2,0,0]=4 1551 B13R1.398 CCNC(CCCl)c1ccccc1 2230a_100015525214_200010132975 [0,1,1,0,0,0|2,0,0]=4 1552 B13R1.398 CCNC(COC)c1ccccc1 269862a_100015525214_100000765260 [0,1,1,0,0,0|2,0,0]=4 1553 B13R1.398 CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210202 [0,1,1,0,0,0|2,0,0]=4 1554 B13R1.398 CCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210202 [0,1,1,0,0,0|2,0,0]=4 1555 B13R1.398 CCN[C@H](COC)c1ccccc1 34a_103619048568_100000210202 [0,1,1,0,0,0|2,0,0]=4 1556 B13R1.398 COC[C@@H](NCF)c1ccccc1 34a_103619048568_100015361967 [0,1,1,0,0,0|2,0,0]=4 1557 B13R1.402 CCCC(C)(OC)c1ccccc1 7a_200011216028_200000210301 [0,1,1,0,0,0|2,0,0]=4 1558 B13R1.402 CCCC(C)(O[13CH3])c1ccccc1 7a_200011216028_200025704644 [0,1,1,0,0,0|2,0,0]=4 1559 B13R1.405 CCNC(c1cccnc1)C(C)C 2230a_100015185317_100000210202 [0,1,1,0,0,0|2,0,0]=4 1560 B13R1.405 CN(C)C(CCCl)c1ccccc1 2230a_100102631434_200010132975 [0,1,1,0,0,0|2,0,0]=4 1561 B13R1.405 CN(C)C(CCCl)c1ccccc1 269982a_100102631434_200010132975 [0,1,1,0,0,0|2,0,0]=4 1562 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,1,1,0,0,0|1,0,0]=3 1563 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,1,1,0,0,0|1,0,0]=3 1564 B13R1.532 CCC(c1cccnc1)N(C)CC 2230a_200011351541_100000210202 [0,1,1,0,0,0|2,0,0]=4 1565 B13R1.532 CCC(c1cccnc1)N(C)CC 269982a_200011351541_100000204670 [0,1,1,0,0,0|2,0,0]=4 1566 B13R1.713 CC(C)CC(N[13CH3])c1ccccn1 2230a_100159271263_200025704644 [0,1,1,0,0,0|2,0,0]=4 1567 B13R1.713 CC(C)CC(N[13CH3])c1cccnc1 2230a_200011351310_200025704644 [0,1,1,0,0,0|0,0,0]=2 1568 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,1,1,0,0,0|1,0,0]=3 1569 B13R1.713 CCC(NC(C)C)c1cccnc1 2230a_100000246009_100000210206 [0,1,1,0,0,0|2,0,0]=4 1570 B13R1.713 CNC(CC(=O)O)c1cccnc1 269956a_100000239604_200000210301 [0,1,1,0,0,0|1,0,1]=4 1571 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,1,1,0,0,0|1,0,0]=3 1572 B13R1.713 CNC(CC(C)C)c1ccccn1 2230a_100159271263_200000210301 [0,1,1,0,0,0|2,0,0]=4 1573 B13R1.713 CNC(CC(C)C)c1ccccn1 269862a_106832991636_100000685706 [0,1,1,0,0,0|2,0,0]=4 1574 B13R1.713 CNC(CC(C)C)c1cccnc1 2230a_200011351310_200000210301 [0,1,1,0,0,0|0,0,0]=2 1575 B13R1.713 CNC(CC(C)C)c1cccnc1 269862a_106832991636_100011350585 [0,1,1,0,0,0|0,0,0]=2 1576 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,1,1,0,0,0|1,0,0]=3 1577 B13R1.713 [13CH3]NC(CC(=O)O)c1cccnc1 269956a_100000239604_200025704644 [0,1,1,0,0,0|1,0,1]=4 1578 B13R1.6 CCCCCCc1cccc(c1)O 271570a_203496583355_100009816010 [0,1,1,0,0,0|2,0,0]=4 1579 B13R1.6 CCCCCOc1cncc(c1)Br 34a_100000754920_100000718602 [0,1,1,0,0,0|2,0,0]=4 1580 B13R1.6 CCCCCOc1cncc(c1)Br 7a_100000754920_100000210326 [0,1,1,0,0,0|2,0,0]=4 1581 B13R1.6 CCCCCOc1cncc(c1)C 34a_100011830280_100000718602 [0,1,1,0,0,0|2,0,0]=4 1582 B13R1.6 CCCCCOc1cncc(c1)C 7a_100011830280_100000210326 [0,1,1,0,0,0|2,0,0]=4 1583 B13R1.6 CCCCCOc1cncc(c1)Cl 7a_100000032511_100000210326 [0,1,1,0,0,0|2,0,0]=4 1584 B13R1.6 CCCCCOc1cncc(c1)F 34a_100011830296_100000718602 [0,1,1,0,0,0|2,0,0]=4 1585 B13R1.6 CCCCCOc1cncc(c1)F 7a_100011830296_100000210326 [0,1,1,0,0,0|2,0,0]=4 1586 B13R1.6 CCCCCOc1cncc(c1)N 34a_100011997051_100000718602 [0,1,1,0,0,0|2,0,0]=4 1587 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000210326_100000728054 [0,1,1,0,0,0|2,0,0]=4 1588 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000728054_100000210326 [0,1,1,0,0,0|2,0,0]=4 1589 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000210326_100000760492 [0,1,1,0,0,0|2,0,0]=4 1590 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000760492_100000210326 [0,1,1,0,0,0|2,0,0]=4 1591 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000049639_100000210326 [0,1,1,0,0,0|2,0,0]=4 1592 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000210326_100000049639 [0,1,1,0,0,0|2,0,0]=4 1593 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000210326_100000744099 [0,1,1,0,0,0|2,0,0]=4 1594 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000744099_100000210326 [0,1,1,0,0,0|2,0,0]=4 1595 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000210326_100000687067 [0,1,1,0,0,0|2,0,0]=4 1596 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000687067_100000210326 [0,1,1,0,0,0|2,0,0]=4 1597 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000210326_100000754920 [0,1,1,0,0,0|2,0,0]=4 1598 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000754920_100000210326 [0,1,1,0,0,0|2,0,0]=4 1599 B13R1.6 CCCCNCc1cncc(c1)Br 207a_100000102301_100000687066 [0,1,1,0,0,0|2,0,0]=4 1600 B13R1.6 CCCCNCc1cncc(c1)Br 2230a_100000102301_100000738771 [0,1,1,0,0,0|2,0,0]=4 1601 B13R1.6 CCCCNCc1cncc(c1)Br 270004a_100000102301_100000687066 [0,1,1,0,0,0|2,0,0]=4 1602 B13R1.6 CCCCNCc1cncc(c1)Br 7a_106832991798_100000738771 [0,1,1,0,0,0|2,0,0]=4 1603 B13R1.6 CCCCNCc1cncc(c1)C 207a_100000102301_100011998712 [0,1,1,0,0,0|2,0,0]=4 1604 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000102301_100000716715 [0,1,1,0,0,0|2,0,0]=4 1605 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000692839_100000210211 [0,1,1,0,0,0|2,0,0]=4 1606 B13R1.6 CCCCNCc1cncc(c1)C 270004a_100000102301_100011998712 [0,1,1,0,0,0|2,0,0]=4 1607 B13R1.6 CCCCNCc1cncc(c1)C 34a_100000692839_100000210210 [0,1,1,0,0,0|2,0,0]=4 1608 B13R1.6 CCCCNCc1cncc(c1)C 7a_106832991798_100000716715 [0,1,1,0,0,0|2,0,0]=4 1609 B13R1.6 CCCCNCc1cncc(c1)Cl 207a_100000102301_100000088910 [0,1,1,0,0,0|2,0,0]=4 1610 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_100000102301_100016992070 [0,1,1,0,0,0|2,0,0]=4 1611 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_200020614424_100000210211 [0,1,1,0,0,0|2,0,0]=4 1612 B13R1.6 CCCCNCc1cncc(c1)Cl 270004a_100000102301_100000088910 [0,1,1,0,0,0|2,0,0]=4 1613 B13R1.6 CCCCNCc1cncc(c1)Cl 7a_106832991798_100016992070 [0,1,1,0,0,0|2,0,0]=4 1614 B13R1.6 CCCCNCc1cncc(c1)F 207a_100000102301_100011361476 [0,1,1,0,0,0|2,0,0]=4 1615 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100000102301_100000725299 [0,1,1,0,0,0|2,0,0]=4 1616 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100011962886_100000210211 [0,1,1,0,0,0|2,0,0]=4 1617 B13R1.6 CCCCNCc1cncc(c1)F 270004a_100000102301_100011361476 [0,1,1,0,0,0|2,0,0]=4 1618 B13R1.6 CCCCNCc1cncc(c1)F 34a_100011962886_100000210210 [0,1,1,0,0,0|2,0,0]=4 1619 B13R1.6 CCCCNCc1cncc(c1)F 7a_106832991798_100000725299 [0,1,1,0,0,0|2,0,0]=4 1620 B13R1.6 CCCCNCc1cncc(c1)O 207a_100000102301_100012187055 [0,1,1,0,0,0|2,0,0]=4 1621 B13R1.6 CCCCNCc1cncc(c1)O 270004a_100000102301_100012187055 [0,1,1,0,0,0|2,0,0]=4 1622 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100000210227_100000738771 [0,1,1,0,0,0|2,0,0]=4 1623 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100011259137_100000210210 [0,1,1,0,0,0|2,0,0]=4 1624 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100000210227_100000738771 [0,1,1,0,0,0|2,0,0]=4 1625 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100011259137_100000210211 [0,1,1,0,0,0|2,0,0]=4 1626 B13R1.6 CCCCOCc1cncc(c1)C 34a_100000210227_100000716715 [0,1,1,0,0,0|2,0,0]=4 1627 B13R1.6 CCCCOCc1cncc(c1)C 34a_100011998709_100000210210 [0,1,1,0,0,0|2,0,0]=4 1628 B13R1.6 CCCCOCc1cncc(c1)C 7a_100000210227_100000716715 [0,1,1,0,0,0|2,0,0]=4 1629 B13R1.6 CCCCOCc1cncc(c1)C 7a_100011998709_100000210211 [0,1,1,0,0,0|2,0,0]=4 1630 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000092867_100000210210 [0,1,1,0,0,0|2,0,0]=4 1631 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000210227_100016992070 [0,1,1,0,0,0|2,0,0]=4 1632 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000092867_100000210211 [0,1,1,0,0,0|2,0,0]=4 1633 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000210227_100016992070 [0,1,1,0,0,0|2,0,0]=4 1634 B13R1.6 CCCCOCc1cncc(c1)F 34a_100000210227_100000725299 [0,1,1,0,0,0|2,0,0]=4 1635 B13R1.6 CCCCOCc1cncc(c1)F 34a_100011962875_100000210210 [0,1,1,0,0,0|2,0,0]=4 1636 B13R1.6 CCCCOCc1cncc(c1)F 7a_100000210227_100000725299 [0,1,1,0,0,0|2,0,0]=4 1637 B13R1.6 CCCCOCc1cncc(c1)F 7a_100011962875_100000210211 [0,1,1,0,0,0|2,0,0]=4 1638 B13R1.6 CCCCOCc1cncc(c1)N 34a_100000085308_100000210210 [0,1,1,0,0,0|2,0,0]=4 1639 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000210211_100000738771 [0,1,1,0,0,0|2,0,0]=4 1640 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000738771_100000210210 [0,1,1,0,0,0|2,0,0]=4 1641 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000210211_100000716715 [0,1,1,0,0,0|2,0,0]=4 1642 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000716715_100000210210 [0,1,1,0,0,0|2,0,0]=4 1643 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100000210211_100016992070 [0,1,1,0,0,0|2,0,0]=4 1644 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100016992070_100000210210 [0,1,1,0,0,0|2,0,0]=4 1645 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000210211_100000725299 [0,1,1,0,0,0|2,0,0]=4 1646 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000725299_100000210210 [0,1,1,0,0,0|2,0,0]=4 1647 B13R1.6 CNCCCOc1cccc(c1)C 2230a_106832991635_100000212303 [0,1,1,0,0,0|2,0,0]=4 1648 B13R1.6 CNCCCOc1cccc(c1)C 34a_100102657272_100000212303 [0,1,1,0,0,0|2,0,0]=4 1649 B13R1.6 CNCCCOc1cccc(c1)C 7a_106832991635_100000212303 [0,1,1,0,0,0|2,0,0]=4 1650 B13R1.6 CNCCCOc1cccc(c1)Cl 2230a_100011220311_200000210301 [0,1,1,0,0,0|2,0,0]=4 1651 B13R1.6 CNCCCOc1cccc(c1)Cl 2230a_106832991635_100000742658 [0,1,1,0,0,0|2,0,0]=4 1652 B13R1.6 CNCCCOc1cccc(c1)Cl 34a_100011220311_200000210301 [0,1,1,0,0,0|2,0,0]=4 1653 B13R1.6 CNCCCOc1cccc(c1)Cl 34a_100102657272_100000742658 [0,1,1,0,0,0|2,0,0]=4 1654 B13R1.6 CNCCCOc1cccc(c1)Cl 7a_106832991635_100000742658 [0,1,1,0,0,0|2,0,0]=4 1655 B13R1.6 CNCCCOc1cccc(c1)F 2230a_100102661586_200000210301 [0,1,1,0,0,0|2,0,0]=4 1656 B13R1.6 CNCCCOc1cccc(c1)F 34a_100102661586_200000210301 [0,1,1,0,0,0|2,0,0]=4 1657 B13R1.6 CNCCSCc1cccc(c1)Cl 2230a_200011225440_200000210301 [0,1,1,0,0,0|2,0,0]=4 1658 B13R1.6 CNCCSCc1cccc(c1)Cl 34a_200011225440_200000210301 [0,1,1,0,0,0|2,0,0]=4 1659 B13R1.6 CNCCSCc1cccc(c1)Cl 7a_200011225440_200000210301 [0,1,1,0,0,0|2,0,0]=4 1660 B13R1.6 COCCCOc1cncc(c1)Br 34a_100000754920_100000740836 [0,1,1,0,0,0|2,0,0]=4 1661 B13R1.6 COCCCOc1cncc(c1)Br 7a_100000754920_100000740836 [0,1,1,0,0,0|2,0,0]=4 1662 B13R1.6 COCCCOc1cncc(c1)C 34a_100011830280_100000740836 [0,1,1,0,0,0|2,0,0]=4 1663 B13R1.6 COCCCOc1cncc(c1)C 7a_100011830280_100000740836 [0,1,1,0,0,0|2,0,0]=4 1664 B13R1.6 COCCCOc1cncc(c1)Cl 7a_100000032511_100000740836 [0,1,1,0,0,0|2,0,0]=4 1665 B13R1.6 COCCCOc1cncc(c1)F 34a_100011830296_100000740836 [0,1,1,0,0,0|2,0,0]=4 1666 B13R1.6 COCCCOc1cncc(c1)F 7a_100011830296_100000740836 [0,1,1,0,0,0|2,0,0]=4 1667 B13R1.6 COCCCOc1cncc(c1)N 34a_100011997051_100000740836 [0,1,1,0,0,0|2,0,0]=4 1668 B13R1.6 COCCCSc1cncc(c1)Br 62a_100000709357_100000728054 [0,1,1,0,0,0|2,0,0]=4 1669 B13R1.6 COCCCSc1cncc(c1)Br 62a_100000728054_100000709357 [0,1,1,0,0,0|2,0,0]=4 1670 B13R1.6 COCCCSc1cncc(c1)C 62a_100000709357_100000760492 [0,1,1,0,0,0|2,0,0]=4 1671 B13R1.6 COCCCSc1cncc(c1)C 62a_100000760492_100000709357 [0,1,1,0,0,0|2,0,0]=4 1672 B13R1.6 COCCCSc1cncc(c1)Cl 62a_100000049639_100000709357 [0,1,1,0,0,0|2,0,0]=4 1673 B13R1.6 COCCCSc1cncc(c1)Cl 62a_100000709357_100000049639 [0,1,1,0,0,0|2,0,0]=4 1674 B13R1.6 COCCCSc1cncc(c1)F 62a_100000709357_100000744099 [0,1,1,0,0,0|2,0,0]=4 1675 B13R1.6 COCCCSc1cncc(c1)F 62a_100000744099_100000709357 [0,1,1,0,0,0|2,0,0]=4 1676 B13R1.6 COCCCSc1cncc(c1)N 62a_100000687067_100000709357 [0,1,1,0,0,0|2,0,0]=4 1677 B13R1.6 COCCCSc1cncc(c1)N 62a_100000709357_100000687067 [0,1,1,0,0,0|2,0,0]=4 1678 B13R1.6 COCCCSc1cncc(c1)O 62a_100000709357_100000754920 [0,1,1,0,0,0|2,0,0]=4 1679 B13R1.6 COCCCSc1cncc(c1)O 62a_100000754920_100000709357 [0,1,1,0,0,0|2,0,0]=4 1680 B13R1.6 COCCNCc1cncc(c1)Br 207a_100000209980_100000687066 [0,1,1,0,0,0|2,0,0]=4 1681 B13R1.6 COCCNCc1cncc(c1)Br 2230a_100000209980_100000738771 [0,1,1,0,0,0|2,0,0]=4 1682 B13R1.6 COCCNCc1cncc(c1)Br 270004a_100000209980_100000687066 [0,1,1,0,0,0|2,0,0]=4 1683 B13R1.6 COCCNCc1cncc(c1)C 207a_100000209980_100011998712 [0,1,1,0,0,0|2,0,0]=4 1684 B13R1.6 COCCNCc1cncc(c1)C 2230a_100000209980_100000716715 [0,1,1,0,0,0|2,0,0]=4 1685 B13R1.6 COCCNCc1cncc(c1)C 2230a_100000692839_100011201679 [0,1,1,0,0,0|2,0,0]=4 1686 B13R1.6 COCCNCc1cncc(c1)C 270004a_100000209980_100011998712 [0,1,1,0,0,0|2,0,0]=4 1687 B13R1.6 COCCNCc1cncc(c1)C 34a_100000692839_100011201679 [0,1,1,0,0,0|2,0,0]=4 1688 B13R1.6 COCCNCc1cncc(c1)Cl 207a_100000209980_100000088910 [0,1,1,0,0,0|2,0,0]=4 1689 B13R1.6 COCCNCc1cncc(c1)Cl 2230a_100000209980_100016992070 [0,1,1,0,0,0|2,0,0]=4 1690 B13R1.6 COCCNCc1cncc(c1)Cl 2230a_200020614424_100011201679 [0,1,1,0,0,0|2,0,0]=4 1691 B13R1.6 COCCNCc1cncc(c1)Cl 270004a_100000209980_100000088910 [0,1,1,0,0,0|2,0,0]=4 1692 B13R1.6 COCCNCc1cncc(c1)F 207a_100000209980_100011361476 [0,1,1,0,0,0|2,0,0]=4 1693 B13R1.6 COCCNCc1cncc(c1)F 2230a_100000209980_100000725299 [0,1,1,0,0,0|2,0,0]=4 1694 B13R1.6 COCCNCc1cncc(c1)F 2230a_100011962886_100011201679 [0,1,1,0,0,0|2,0,0]=4 1695 B13R1.6 COCCNCc1cncc(c1)F 270004a_100000209980_100011361476 [0,1,1,0,0,0|2,0,0]=4 1696 B13R1.6 COCCNCc1cncc(c1)F 34a_100011962886_100011201679 [0,1,1,0,0,0|2,0,0]=4 1697 B13R1.6 COCCNCc1cncc(c1)O 207a_100000209980_100012187055 [0,1,1,0,0,0|2,0,0]=4 1698 B13R1.6 COCCNCc1cncc(c1)O 270004a_100000209980_100012187055 [0,1,1,0,0,0|2,0,0]=4 1699 B13R1.6 COCCOCc1cncc(c1)Br 34a_100000210237_100000738771 [0,1,1,0,0,0|2,0,0]=4 1700 B13R1.6 COCCOCc1cncc(c1)Br 34a_100011259137_100011201679 [0,1,1,0,0,0|2,0,0]=4 1701 B13R1.6 COCCOCc1cncc(c1)Br 7a_100011259137_100000233755 [0,1,1,0,0,0|2,0,0]=4 1702 B13R1.6 COCCOCc1cncc(c1)C 34a_100000210237_100000716715 [0,1,1,0,0,0|2,0,0]=4 1703 B13R1.6 COCCOCc1cncc(c1)C 34a_100011998709_100011201679 [0,1,1,0,0,0|2,0,0]=4 1704 B13R1.6 COCCOCc1cncc(c1)C 7a_100011998709_100000233755 [0,1,1,0,0,0|2,0,0]=4 1705 B13R1.6 COCCOCc1cncc(c1)Cl 34a_100000092867_100011201679 [0,1,1,0,0,0|2,0,0]=4 1706 B13R1.6 COCCOCc1cncc(c1)Cl 34a_100000210237_100016992070 [0,1,1,0,0,0|2,0,0]=4 1707 B13R1.6 COCCOCc1cncc(c1)Cl 7a_100000092867_100000233755 [0,1,1,0,0,0|2,0,0]=4 1708 B13R1.6 COCCOCc1cncc(c1)F 34a_100000210237_100000725299 [0,1,1,0,0,0|2,0,0]=4 1709 B13R1.6 COCCOCc1cncc(c1)F 34a_100011962875_100011201679 [0,1,1,0,0,0|2,0,0]=4 1710 B13R1.6 COCCOCc1cncc(c1)F 7a_100011962875_100000233755 [0,1,1,0,0,0|2,0,0]=4 1711 B13R1.6 COCCOCc1cncc(c1)N 34a_100000085308_100011201679 [0,1,1,0,0,0|2,0,0]=4 1712 B13R1.6 COCCSCc1cncc(c1)Br 62a_100000233755_100000738771 [0,1,1,0,0,0|2,0,0]=4 1713 B13R1.6 COCCSCc1cncc(c1)Br 62a_100000738771_100000233755 [0,1,1,0,0,0|2,0,0]=4 1714 B13R1.6 COCCSCc1cncc(c1)C 62a_100000233755_100000716715 [0,1,1,0,0,0|2,0,0]=4 1715 B13R1.6 COCCSCc1cncc(c1)C 62a_100000716715_100000233755 [0,1,1,0,0,0|2,0,0]=4 1716 B13R1.6 COCCSCc1cncc(c1)Cl 62a_100000233755_100016992070 [0,1,1,0,0,0|2,0,0]=4 1717 B13R1.6 COCCSCc1cncc(c1)Cl 62a_100016992070_100000233755 [0,1,1,0,0,0|2,0,0]=4 1718 B13R1.6 COCCSCc1cncc(c1)F 62a_100000233755_100000725299 [0,1,1,0,0,0|2,0,0]=4 1719 B13R1.6 COCCSCc1cncc(c1)F 62a_100000725299_100000233755 [0,1,1,0,0,0|2,0,0]=4 1720 B13R1.6 CSCCNCc1cncc(c1)Br 207a_100020590264_100000687066 [0,1,1,0,0,0|2,0,0]=4 1721 B13R1.6 CSCCNCc1cncc(c1)Br 2230a_100020590264_100000738771 [0,1,1,0,0,0|2,0,0]=4 1722 B13R1.6 CSCCNCc1cncc(c1)Br 270004a_100020590264_100000687066 [0,1,1,0,0,0|2,0,0]=4 1723 B13R1.6 CSCCNCc1cncc(c1)C 207a_100020590264_100011998712 [0,1,1,0,0,0|2,0,0]=4 1724 B13R1.6 CSCCNCc1cncc(c1)C 2230a_100000692839_100000751147 [0,1,1,0,0,0|2,0,0]=4 1725 B13R1.6 CSCCNCc1cncc(c1)C 2230a_100020590264_100000716715 [0,1,1,0,0,0|2,0,0]=4 1726 B13R1.6 CSCCNCc1cncc(c1)C 270004a_100020590264_100011998712 [0,1,1,0,0,0|2,0,0]=4 1727 B13R1.6 CSCCNCc1cncc(c1)C 34a_100000692839_100000212216 [0,1,1,0,0,0|2,0,0]=4 1728 B13R1.6 CSCCNCc1cncc(c1)Cl 207a_100020590264_100000088910 [0,1,1,0,0,0|2,0,0]=4 1729 B13R1.6 CSCCNCc1cncc(c1)Cl 2230a_100020590264_100016992070 [0,1,1,0,0,0|2,0,0]=4 1730 B13R1.6 CSCCNCc1cncc(c1)Cl 2230a_200020614424_100000751147 [0,1,1,0,0,0|2,0,0]=4 1731 B13R1.6 CSCCNCc1cncc(c1)Cl 270004a_100020590264_100000088910 [0,1,1,0,0,0|2,0,0]=4 1732 B13R1.6 CSCCNCc1cncc(c1)F 207a_100020590264_100011361476 [0,1,1,0,0,0|2,0,0]=4 1733 B13R1.6 CSCCNCc1cncc(c1)F 2230a_100011962886_100000751147 [0,1,1,0,0,0|2,0,0]=4 1734 B13R1.6 CSCCNCc1cncc(c1)F 2230a_100020590264_100000725299 [0,1,1,0,0,0|2,0,0]=4 1735 B13R1.6 CSCCNCc1cncc(c1)F 270004a_100020590264_100011361476 [0,1,1,0,0,0|2,0,0]=4 1736 B13R1.6 CSCCNCc1cncc(c1)F 34a_100011962886_100000212216 [0,1,1,0,0,0|2,0,0]=4 1737 B13R1.6 CSCCNCc1cncc(c1)O 207a_100020590264_100012187055 [0,1,1,0,0,0|2,0,0]=4 1738 B13R1.6 CSCCNCc1cncc(c1)O 270004a_100020590264_100012187055 [0,1,1,0,0,0|2,0,0]=4 1739 B13R1.6 CSCCOCc1cncc(c1)Br 34a_100000230434_100000738771 [0,1,1,0,0,0|2,0,0]=4 1740 B13R1.6 CSCCOCc1cncc(c1)Br 34a_100011259137_100000212216 [0,1,1,0,0,0|2,0,0]=4 1741 B13R1.6 CSCCOCc1cncc(c1)Br 7a_100000230434_100000738771 [0,1,1,0,0,0|2,0,0]=4 1742 B13R1.6 CSCCOCc1cncc(c1)Br 7a_100011259137_100000212216 [0,1,1,0,0,0|2,0,0]=4 1743 B13R1.6 CSCCOCc1cncc(c1)C 34a_100000230434_100000716715 [0,1,1,0,0,0|2,0,0]=4 1744 B13R1.6 CSCCOCc1cncc(c1)C 34a_100011998709_100000212216 [0,1,1,0,0,0|2,0,0]=4 1745 B13R1.6 CSCCOCc1cncc(c1)C 7a_100000230434_100000716715 [0,1,1,0,0,0|2,0,0]=4 1746 B13R1.6 CSCCOCc1cncc(c1)C 7a_100011998709_100000212216 [0,1,1,0,0,0|2,0,0]=4 1747 B13R1.6 CSCCOCc1cncc(c1)Cl 34a_100000092867_100000212216 [0,1,1,0,0,0|2,0,0]=4 1748 B13R1.6 CSCCOCc1cncc(c1)Cl 34a_100000230434_100016992070 [0,1,1,0,0,0|2,0,0]=4 1749 B13R1.6 CSCCOCc1cncc(c1)Cl 7a_100000092867_100000212216 [0,1,1,0,0,0|2,0,0]=4 1750 B13R1.6 CSCCOCc1cncc(c1)Cl 7a_100000230434_100016992070 [0,1,1,0,0,0|2,0,0]=4 1751 B13R1.6 CSCCOCc1cncc(c1)F 34a_100000230434_100000725299 [0,1,1,0,0,0|2,0,0]=4 1752 B13R1.6 CSCCOCc1cncc(c1)F 34a_100011962875_100000212216 [0,1,1,0,0,0|2,0,0]=4 1753 B13R1.6 CSCCOCc1cncc(c1)F 7a_100000230434_100000725299 [0,1,1,0,0,0|2,0,0]=4 1754 B13R1.6 CSCCOCc1cncc(c1)F 7a_100011962875_100000212216 [0,1,1,0,0,0|2,0,0]=4 1755 B13R1.6 CSCCOCc1cncc(c1)N 34a_100000085308_100000212216 [0,1,1,0,0,0|2,0,0]=4 1756 B13R1.6 CSCCSCc1cncc(c1)Br 62a_100000212216_100000738771 [0,1,1,0,0,0|2,0,0]=4 1757 B13R1.6 CSCCSCc1cncc(c1)Br 62a_100000738771_100000751147 [0,1,1,0,0,0|2,0,0]=4 1758 B13R1.6 CSCCSCc1cncc(c1)C 62a_100000212216_100000716715 [0,1,1,0,0,0|2,0,0]=4 1759 B13R1.6 CSCCSCc1cncc(c1)C 62a_100000716715_100000751147 [0,1,1,0,0,0|2,0,0]=4 1760 B13R1.6 CSCCSCc1cncc(c1)Cl 62a_100000212216_100016992070 [0,1,1,0,0,0|2,0,0]=4 1761 B13R1.6 CSCCSCc1cncc(c1)Cl 62a_100016992070_100000751147 [0,1,1,0,0,0|2,0,0]=4 1762 B13R1.6 CSCCSCc1cncc(c1)F 62a_100000212216_100000725299 [0,1,1,0,0,0|2,0,0]=4 1763 B13R1.6 CSCCSCc1cncc(c1)F 62a_100000725299_100000751147 [0,1,1,0,0,0|2,0,0]=4 1764 B13R1.6 [13CH3]NCCCOc1cccc(c1)Cl 2230a_100011220311_200025704644 [0,1,1,0,0,0|2,0,0]=4 1765 B13R1.6 [13CH3]NCCCOc1cccc(c1)Cl 34a_100011220311_200025704644 [0,1,1,0,0,0|2,0,0]=4 1766 B13R1.6 [13CH3]NCCCOc1cccc(c1)F 2230a_100102661586_200025704644 [0,1,1,0,0,0|2,0,0]=4 1767 B13R1.6 [13CH3]NCCCOc1cccc(c1)F 34a_100102661586_200025704644 [0,1,1,0,0,0|2,0,0]=4 1768 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 2230a_200011225440_200025704644 [0,1,1,0,0,0|2,0,0]=4 1769 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 34a_200011225440_200025704644 [0,1,1,0,0,0|2,0,0]=4 1770 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 7a_200011225440_200025704644 [0,1,1,0,0,0|2,0,0]=4 1771 B13R1.9 CCCCCCc1ccc(cc1)O 271570a_203496583355_100009814338 [0,1,1,0,0,0|2,0,0]=4 1772 B13R1.9 CCCCCOc1ccc(nc1)Br 34a_100000685995_100000718602 [0,1,1,0,0,0|2,0,0]=4 1773 B13R1.9 CCCCCOc1ccc(nc1)Br 7a_100000685995_100000210326 [0,1,1,0,0,0|2,0,0]=4 1774 B13R1.9 CCCCCOc1ccc(nc1)C 34a_100000745506_100000718602 [0,1,1,0,0,0|2,0,0]=4 1775 B13R1.9 CCCCCOc1ccc(nc1)C 7a_100000745506_100000210326 [0,1,1,0,0,0|2,0,0]=4 1776 B13R1.9 CCCCCOc1ccc(nc1)Cl 34a_100000744096_100000718602 [0,1,1,0,0,0|2,0,0]=4 1777 B13R1.9 CCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210326 [0,1,1,0,0,0|2,0,0]=4 1778 B13R1.9 CCCCCOc1ccc(nc1)F 34a_100000688820_100000718602 [0,1,1,0,0,0|2,0,0]=4 1779 B13R1.9 CCCCCOc1ccc(nc1)F 7a_100000688820_100000210326 [0,1,1,0,0,0|2,0,0]=4 1780 B13R1.9 CCCCCOc1ccc(nc1)I 34a_100000687607_100000718602 [0,1,1,0,0,0|2,0,0]=4 1781 B13R1.9 CCCCCOc1ccc(nc1)I 7a_100000687607_100000210326 [0,1,1,0,0,0|2,0,0]=4 1782 B13R1.9 CCCCCOc1ccc(nc1)N 34a_100015188713_100000718602 [0,1,1,0,0,0|2,0,0]=4 1783 B13R1.9 CCCCCOc1ccc(nc1)N 7a_100015188713_100000210326 [0,1,1,0,0,0|2,0,0]=4 1784 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100000210326_100009814638 [0,1,1,0,0,0|2,0,0]=4 1785 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100009814638_100000210326 [0,1,1,0,0,0|2,0,0]=4 1786 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000210326_100000751577 [0,1,1,0,0,0|2,0,0]=4 1787 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000751577_100000210326 [0,1,1,0,0,0|2,0,0]=4 1788 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210326 [0,1,1,0,0,0|2,0,0]=4 1789 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000210326_100000034144 [0,1,1,0,0,0|2,0,0]=4 1790 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000042367_100000210326 [0,1,1,0,0,0|2,0,0]=4 1791 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000210326_100000042367 [0,1,1,0,0,0|2,0,0]=4 1792 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000187370_100000210326 [0,1,1,0,0,0|2,0,0]=4 1793 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000210326_100000187370 [0,1,1,0,0,0|2,0,0]=4 1794 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100000102301_100009831999 [0,1,1,0,0,0|2,0,0]=4 1795 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100009817727_100000210211 [0,1,1,0,0,0|2,0,0]=4 1796 B13R1.9 CCCCNCc1ccc(nc1)Br 34a_100009817727_100000210210 [0,1,1,0,0,0|2,0,0]=4 1797 B13R1.9 CCCCNCc1ccc(nc1)Br 7a_106832991798_100009831999 [0,1,1,0,0,0|2,0,0]=4 1798 B13R1.9 CCCCNCc1ccc(nc1)C 2230a_100000102301_100016987292 [0,1,1,0,0,0|2,0,0]=4 1799 B13R1.9 CCCCNCc1ccc(nc1)C 270004a_100000102301_100000743784 [0,1,1,0,0,0|2,0,0]=4 1800 B13R1.9 CCCCNCc1ccc(nc1)C 34a_100000740942_100000210210 [0,1,1,0,0,0|2,0,0]=4 1801 B13R1.9 CCCCNCc1ccc(nc1)C 7a_106832991798_100016987292 [0,1,1,0,0,0|2,0,0]=4 1802 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000102301_100000735431 [0,1,1,0,0,0|2,0,0]=4 1803 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210211 [0,1,1,0,0,0|2,0,0]=4 1804 B13R1.9 CCCCNCc1ccc(nc1)Cl 34a_100000735879_100000210210 [0,1,1,0,0,0|2,0,0]=4 1805 B13R1.9 CCCCNCc1ccc(nc1)Cl 7a_106832991798_100000735431 [0,1,1,0,0,0|2,0,0]=4 1806 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000101913_100000210211 [0,1,1,0,0,0|2,0,0]=4 1807 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000102301_100009820150 [0,1,1,0,0,0|2,0,0]=4 1808 B13R1.9 CCCCNCc1ccc(nc1)F 34a_100000101913_100000210210 [0,1,1,0,0,0|2,0,0]=4 1809 B13R1.9 CCCCNCc1ccc(nc1)F 7a_106832991798_100009820150 [0,1,1,0,0,0|2,0,0]=4 1810 B13R1.9 CCCCNCc1ccc(nc1)O 207a_100000102301_100011361521 [0,1,1,0,0,0|2,0,0]=4 1811 B13R1.9 CCCCNCc1ccc(nc1)O 2230a_100000757128_100000210211 [0,1,1,0,0,0|2,0,0]=4 1812 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100000210227_100009831999 [0,1,1,0,0,0|2,0,0]=4 1813 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100009816760_100000210210 [0,1,1,0,0,0|2,0,0]=4 1814 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100000210227_100009831999 [0,1,1,0,0,0|2,0,0]=4 1815 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100009816760_100000210211 [0,1,1,0,0,0|2,0,0]=4 1816 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100000210227_100016987292 [0,1,1,0,0,0|2,0,0]=4 1817 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100011248133_100000210210 [0,1,1,0,0,0|2,0,0]=4 1818 B13R1.9 CCCCOCc1ccc(nc1)C 7a_100000210227_100016987292 [0,1,1,0,0,0|2,0,0]=4 1819 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000210227_100000735431 [0,1,1,0,0,0|2,0,0]=4 1820 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000755211_100000210210 [0,1,1,0,0,0|2,0,0]=4 1821 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000210227_100000735431 [0,1,1,0,0,0|2,0,0]=4 1822 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210211 [0,1,1,0,0,0|2,0,0]=4 1823 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000079959_100000210210 [0,1,1,0,0,0|2,0,0]=4 1824 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000210227_100000099788 [0,1,1,0,0,0|2,0,0]=4 1825 B13R1.9 CCCCOCc1ccc(nc1)F 7a_100000210227_100009820150 [0,1,1,0,0,0|2,0,0]=4 1826 B13R1.9 CCCCOCc1ccc(nc1)N 34a_100000704267_100000210210 [0,1,1,0,0,0|2,0,0]=4 1827 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100000210211_100009831999 [0,1,1,0,0,0|2,0,0]=4 1828 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100009831999_100000210210 [0,1,1,0,0,0|2,0,0]=4 1829 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100000210211_100016987292 [0,1,1,0,0,0|2,0,0]=4 1830 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100016987292_100000210210 [0,1,1,0,0,0|2,0,0]=4 1831 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000210211_100000735431 [0,1,1,0,0,0|2,0,0]=4 1832 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000735431_100000210210 [0,1,1,0,0,0|2,0,0]=4 1833 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100000210211_100000099788 [0,1,1,0,0,0|2,0,0]=4 1834 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100009820150_100000210210 [0,1,1,0,0,0|2,0,0]=4 1835 B13R1.9 CCCOCCc1ccc(nc1)C 34a_100011815783_100000210303 [0,1,1,0,0,0|2,0,0]=4 1836 B13R1.9 CCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210303 [0,1,1,0,0,0|2,0,0]=4 1837 B13R1.9 CCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210303 [0,1,1,0,0,0|2,0,0]=4 1838 B13R1.9 CNCCCCc1ccc(cc1)Br 2230a_106832991635_200012094861 [0,1,1,0,0,0|1,0,0]=3 1839 B13R1.9 CNCCCCc1ccc(cc1)Br 34a_100102657272_200012094861 [0,1,1,0,0,0|1,0,0]=3 1840 B13R1.9 CNCCCCc1ccc(cc1)Br 7a_106832991635_200012094861 [0,1,1,0,0,0|1,0,0]=3 1841 B13R1.9 CNCCCCc1ccc(cc1)Cl 2230a_100160821348_200000210301 [0,1,1,0,0,0|1,0,0]=3 1842 B13R1.9 CNCCCCc1ccc(cc1)Cl 34a_100160821348_200000210301 [0,1,1,0,0,0|1,0,0]=3 1843 B13R1.9 CNCCCCc1ccc(cc1)F 2230a_106832991635_100012093538 [0,1,1,0,0,0|1,0,0]=3 1844 B13R1.9 CNCCCCc1ccc(cc1)F 34a_100102657272_100012093538 [0,1,1,0,0,0|1,0,0]=3 1845 B13R1.9 CNCCCCc1ccc(cc1)F 7a_106832991635_100012093538 [0,1,1,0,0,0|1,0,0]=3 1846 B13R1.9 CNCCCOc1ccc(cc1)Br 2230a_106832991635_100011259224 [0,1,1,0,0,0|2,0,0]=4 1847 B13R1.9 CNCCCOc1ccc(cc1)Br 34a_100102657272_100011259224 [0,1,1,0,0,0|2,0,0]=4 1848 B13R1.9 CNCCCOc1ccc(cc1)Br 7a_106832991635_100011259224 [0,1,1,0,0,0|2,0,0]=4 1849 B13R1.9 CNCCCOc1ccc(cc1)C 34a_100000747266_200000210301 [0,1,1,0,0,0|2,0,0]=4 1850 B13R1.9 CNCCCOc1ccc(cc1)Cl 2230a_200011199081_200000210301 [0,1,1,0,0,0|2,0,0]=4 1851 B13R1.9 CNCCCOc1ccc(cc1)Cl 34a_200011199081_200000210301 [0,1,1,0,0,0|2,0,0]=4 1852 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_100000747263_200000210301 [0,1,1,0,0,0|2,0,0]=4 1853 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_106832991635_100000181347 [0,1,1,0,0,0|2,0,0]=4 1854 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100000747263_200000210301 [0,1,1,0,0,0|2,0,0]=4 1855 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100102657272_100000181347 [0,1,1,0,0,0|2,0,0]=4 1856 B13R1.9 CNCCCOc1ccc(cc1)F 7a_106832991635_100000181347 [0,1,1,0,0,0|2,0,0]=4 1857 B13R1.9 CNCCCOc1ccc(cc1)O 271570a_203496583355_100102699777 [0,1,1,0,0,0|2,0,0]=4 1858 B13R1.9 CNCCCSc1ccc(cc1)Cl 2230a_100000189518_200000210301 [0,1,1,0,0,0|2,0,0]=4 1859 B13R1.9 CNCCCSc1ccc(cc1)F 2230a_100000683907_200000210301 [0,1,1,0,0,0|2,0,0]=4 1860 B13R1.9 CNCCOCc1ccc(cc1)Cl 2230a_100000189180_200000210301 [0,1,1,0,0,0|2,0,0]=4 1861 B13R1.9 CNCCOCc1ccc(cc1)Cl 34a_100000189180_200000210301 [0,1,1,0,0,0|2,0,0]=4 1862 B13R1.9 CNCCSCc1ccc(cc1)Cl 2230a_100000739548_200000210301 [0,1,1,0,0,0|2,0,0]=4 1863 B13R1.9 CNCCSCc1ccc(cc1)Cl 34a_100000739548_200000210301 [0,1,1,0,0,0|2,0,0]=4 1864 B13R1.9 CNCCSCc1ccc(cc1)Cl 7a_100000739548_200000210301 [0,1,1,0,0,0|2,0,0]=4 1865 B13R1.9 CNCCSCc1ccc(cc1)F 2230a_100020610864_200000210301 [0,1,1,0,0,0|2,0,0]=4 1866 B13R1.9 CNCCSCc1ccc(cc1)F 34a_100020610864_200000210301 [0,1,1,0,0,0|2,0,0]=4 1867 B13R1.9 CNCCSCc1ccc(cc1)F 7a_100020610864_200000210301 [0,1,1,0,0,0|2,0,0]=4 1868 B13R1.9 COCCCCc1ccc(cc1)Br 34a_100138415774_200012094861 [0,1,1,0,0,0|2,0,0]=4 1869 B13R1.9 COCCCCc1ccc(cc1)F 34a_100138415774_100012093538 [0,1,1,0,0,0|2,0,0]=4 1870 B13R1.9 COCCCOc1ccc(nc1)Br 34a_100000685995_100000740836 [0,1,1,0,0,0|2,0,0]=4 1871 B13R1.9 COCCCOc1ccc(nc1)Br 7a_100000685995_100000740836 [0,1,1,0,0,0|2,0,0]=4 1872 B13R1.9 COCCCOc1ccc(nc1)C 34a_100000745506_100000740836 [0,1,1,0,0,0|2,0,0]=4 1873 B13R1.9 COCCCOc1ccc(nc1)C 7a_100000745506_100000740836 [0,1,1,0,0,0|2,0,0]=4 1874 B13R1.9 COCCCOc1ccc(nc1)Cl 34a_100000744096_100000740836 [0,1,1,0,0,0|2,0,0]=4 1875 B13R1.9 COCCCOc1ccc(nc1)Cl 7a_100000744096_100000740836 [0,1,1,0,0,0|2,0,0]=4 1876 B13R1.9 COCCCOc1ccc(nc1)F 34a_100000688820_100000740836 [0,1,1,0,0,0|2,0,0]=4 1877 B13R1.9 COCCCOc1ccc(nc1)F 7a_100000688820_100000740836 [0,1,1,0,0,0|2,0,0]=4 1878 B13R1.9 COCCCOc1ccc(nc1)I 34a_100000687607_100000740836 [0,1,1,0,0,0|2,0,0]=4 1879 B13R1.9 COCCCOc1ccc(nc1)I 7a_100000687607_100000740836 [0,1,1,0,0,0|2,0,0]=4 1880 B13R1.9 COCCCOc1ccc(nc1)N 34a_100015188713_100000740836 [0,1,1,0,0,0|2,0,0]=4 1881 B13R1.9 COCCCOc1ccc(nc1)N 7a_100015188713_100000740836 [0,1,1,0,0,0|2,0,0]=4 1882 B13R1.9 COCCCSc1ccc(nc1)Br 62a_100000709357_100009814638 [0,1,1,0,0,0|2,0,0]=4 1883 B13R1.9 COCCCSc1ccc(nc1)Br 62a_100009814638_100000709357 [0,1,1,0,0,0|2,0,0]=4 1884 B13R1.9 COCCCSc1ccc(nc1)C 62a_100000709357_100000751577 [0,1,1,0,0,0|2,0,0]=4 1885 B13R1.9 COCCCSc1ccc(nc1)C 62a_100000751577_100000709357 [0,1,1,0,0,0|2,0,0]=4 1886 B13R1.9 COCCCSc1ccc(nc1)Cl 62a_100000034144_100000709357 [0,1,1,0,0,0|2,0,0]=4 1887 B13R1.9 COCCCSc1ccc(nc1)Cl 62a_100000709357_100000034144 [0,1,1,0,0,0|2,0,0]=4 1888 B13R1.9 COCCCSc1ccc(nc1)F 62a_100000042367_100000709357 [0,1,1,0,0,0|2,0,0]=4 1889 B13R1.9 COCCCSc1ccc(nc1)F 62a_100000709357_100000042367 [0,1,1,0,0,0|2,0,0]=4 1890 B13R1.9 COCCCSc1ccc(nc1)N 62a_100000187370_100000709357 [0,1,1,0,0,0|2,0,0]=4 1891 B13R1.9 COCCCSc1ccc(nc1)N 62a_100000709357_100000187370 [0,1,1,0,0,0|2,0,0]=4 1892 B13R1.9 COCCNCc1ccc(nc1)Br 2230a_100000209980_100009831999 [0,1,1,0,0,0|2,0,0]=4 1893 B13R1.9 COCCNCc1ccc(nc1)Br 2230a_100009817727_100011201679 [0,1,1,0,0,0|2,0,0]=4 1894 B13R1.9 COCCNCc1ccc(nc1)Br 34a_100009817727_100011201679 [0,1,1,0,0,0|2,0,0]=4 1895 B13R1.9 COCCNCc1ccc(nc1)C 2230a_100000209980_100016987292 [0,1,1,0,0,0|2,0,0]=4 1896 B13R1.9 COCCNCc1ccc(nc1)C 270004a_100000209980_100000743784 [0,1,1,0,0,0|2,0,0]=4 1897 B13R1.9 COCCNCc1ccc(nc1)C 34a_100000740942_100011201679 [0,1,1,0,0,0|2,0,0]=4 1898 B13R1.9 COCCNCc1ccc(nc1)Cl 2230a_100000209980_100000735431 [0,1,1,0,0,0|2,0,0]=4 1899 B13R1.9 COCCNCc1ccc(nc1)Cl 2230a_100000735879_100011201679 [0,1,1,0,0,0|2,0,0]=4 1900 B13R1.9 COCCNCc1ccc(nc1)Cl 34a_100000735879_100011201679 [0,1,1,0,0,0|2,0,0]=4 1901 B13R1.9 COCCNCc1ccc(nc1)F 2230a_100000101913_100011201679 [0,1,1,0,0,0|2,0,0]=4 1902 B13R1.9 COCCNCc1ccc(nc1)F 2230a_100000209980_100009820150 [0,1,1,0,0,0|2,0,0]=4 1903 B13R1.9 COCCNCc1ccc(nc1)F 34a_100000101913_100011201679 [0,1,1,0,0,0|2,0,0]=4 1904 B13R1.9 COCCNCc1ccc(nc1)O 207a_100000209980_100011361521 [0,1,1,0,0,0|2,0,0]=4 1905 B13R1.9 COCCNCc1ccc(nc1)O 2230a_100000757128_100011201679 [0,1,1,0,0,0|2,0,0]=4 1906 B13R1.9 COCCOCc1ccc(nc1)Br 34a_100000210237_100009831999 [0,1,1,0,0,0|2,0,0]=4 1907 B13R1.9 COCCOCc1ccc(nc1)Br 34a_100009816760_100011201679 [0,1,1,0,0,0|2,0,0]=4 1908 B13R1.9 COCCOCc1ccc(nc1)Br 7a_100009816760_100000233755 [0,1,1,0,0,0|2,0,0]=4 1909 B13R1.9 COCCOCc1ccc(nc1)C 34a_100000210237_100016987292 [0,1,1,0,0,0|2,0,0]=4 1910 B13R1.9 COCCOCc1ccc(nc1)C 34a_100011248133_100011201679 [0,1,1,0,0,0|2,0,0]=4 1911 B13R1.9 COCCOCc1ccc(nc1)Cl 34a_100000210237_100000735431 [0,1,1,0,0,0|2,0,0]=4 1912 B13R1.9 COCCOCc1ccc(nc1)Cl 34a_100000755211_100011201679 [0,1,1,0,0,0|2,0,0]=4 1913 B13R1.9 COCCOCc1ccc(nc1)Cl 7a_100000755211_100000233755 [0,1,1,0,0,0|2,0,0]=4 1914 B13R1.9 COCCOCc1ccc(nc1)F 34a_100000079959_100011201679 [0,1,1,0,0,0|2,0,0]=4 1915 B13R1.9 COCCOCc1ccc(nc1)F 34a_100000210237_100000099788 [0,1,1,0,0,0|2,0,0]=4 1916 B13R1.9 COCCOCc1ccc(nc1)N 34a_100000704267_100011201679 [0,1,1,0,0,0|2,0,0]=4 1917 B13R1.9 COCCSCc1ccc(nc1)Br 62a_100000233755_100009831999 [0,1,1,0,0,0|2,0,0]=4 1918 B13R1.9 COCCSCc1ccc(nc1)Br 62a_100009831999_100000233755 [0,1,1,0,0,0|2,0,0]=4 1919 B13R1.9 COCCSCc1ccc(nc1)C 62a_100000233755_100016987292 [0,1,1,0,0,0|2,0,0]=4 1920 B13R1.9 COCCSCc1ccc(nc1)C 62a_100016987292_100000233755 [0,1,1,0,0,0|2,0,0]=4 1921 B13R1.9 COCCSCc1ccc(nc1)Cl 62a_100000233755_100000735431 [0,1,1,0,0,0|2,0,0]=4 1922 B13R1.9 COCCSCc1ccc(nc1)Cl 62a_100000735431_100000233755 [0,1,1,0,0,0|2,0,0]=4 1923 B13R1.9 COCCSCc1ccc(nc1)F 62a_100000233755_100000099788 [0,1,1,0,0,0|2,0,0]=4 1924 B13R1.9 COCCSCc1ccc(nc1)F 62a_100009820150_100000233755 [0,1,1,0,0,0|2,0,0]=4 1925 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200000210301_200012094861 [0,1,1,0,0,0|2,0,0]=4 1926 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200012094861_200000210301 [0,1,1,0,0,0|2,0,0]=4 1927 B13R1.9 CSCCCCc1ccc(cc1)F 62a_100012093538_200000210301 [0,1,1,0,0,0|2,0,0]=4 1928 B13R1.9 CSCCCCc1ccc(cc1)F 62a_200000210301_100012093538 [0,1,1,0,0,0|2,0,0]=4 1929 B13R1.9 CSCCNCc1ccc(nc1)Br 2230a_100009817727_100000751147 [0,1,1,0,0,0|2,0,0]=4 1930 B13R1.9 CSCCNCc1ccc(nc1)Br 2230a_100020590264_100009831999 [0,1,1,0,0,0|2,0,0]=4 1931 B13R1.9 CSCCNCc1ccc(nc1)Br 34a_100009817727_100000212216 [0,1,1,0,0,0|2,0,0]=4 1932 B13R1.9 CSCCNCc1ccc(nc1)C 2230a_100020590264_100016987292 [0,1,1,0,0,0|2,0,0]=4 1933 B13R1.9 CSCCNCc1ccc(nc1)C 270004a_100020590264_100000743784 [0,1,1,0,0,0|2,0,0]=4 1934 B13R1.9 CSCCNCc1ccc(nc1)C 34a_100000740942_100000212216 [0,1,1,0,0,0|2,0,0]=4 1935 B13R1.9 CSCCNCc1ccc(nc1)Cl 2230a_100000735879_100000751147 [0,1,1,0,0,0|2,0,0]=4 1936 B13R1.9 CSCCNCc1ccc(nc1)Cl 2230a_100020590264_100000735431 [0,1,1,0,0,0|2,0,0]=4 1937 B13R1.9 CSCCNCc1ccc(nc1)Cl 34a_100000735879_100000212216 [0,1,1,0,0,0|2,0,0]=4 1938 B13R1.9 CSCCNCc1ccc(nc1)F 2230a_100000101913_100000751147 [0,1,1,0,0,0|2,0,0]=4 1939 B13R1.9 CSCCNCc1ccc(nc1)F 2230a_100020590264_100009820150 [0,1,1,0,0,0|2,0,0]=4 1940 B13R1.9 CSCCNCc1ccc(nc1)F 34a_100000101913_100000212216 [0,1,1,0,0,0|2,0,0]=4 1941 B13R1.9 CSCCNCc1ccc(nc1)O 207a_100020590264_100011361521 [0,1,1,0,0,0|2,0,0]=4 1942 B13R1.9 CSCCNCc1ccc(nc1)O 2230a_100000757128_100000751147 [0,1,1,0,0,0|2,0,0]=4 1943 B13R1.9 CSCCOCc1ccc(nc1)Br 34a_100000230434_100009831999 [0,1,1,0,0,0|2,0,0]=4 1944 B13R1.9 CSCCOCc1ccc(nc1)Br 34a_100009816760_100000212216 [0,1,1,0,0,0|2,0,0]=4 1945 B13R1.9 CSCCOCc1ccc(nc1)Br 7a_100000230434_100009831999 [0,1,1,0,0,0|2,0,0]=4 1946 B13R1.9 CSCCOCc1ccc(nc1)Br 7a_100009816760_100000212216 [0,1,1,0,0,0|2,0,0]=4 1947 B13R1.9 CSCCOCc1ccc(nc1)C 34a_100000230434_100016987292 [0,1,1,0,0,0|2,0,0]=4 1948 B13R1.9 CSCCOCc1ccc(nc1)C 34a_100011248133_100000212216 [0,1,1,0,0,0|2,0,0]=4 1949 B13R1.9 CSCCOCc1ccc(nc1)C 7a_100000230434_100016987292 [0,1,1,0,0,0|2,0,0]=4 1950 B13R1.9 CSCCOCc1ccc(nc1)Cl 34a_100000230434_100000735431 [0,1,1,0,0,0|2,0,0]=4 1951 B13R1.9 CSCCOCc1ccc(nc1)Cl 34a_100000755211_100000212216 [0,1,1,0,0,0|2,0,0]=4 1952 B13R1.9 CSCCOCc1ccc(nc1)Cl 7a_100000230434_100000735431 [0,1,1,0,0,0|2,0,0]=4 1953 B13R1.9 CSCCOCc1ccc(nc1)Cl 7a_100000755211_100000212216 [0,1,1,0,0,0|2,0,0]=4 1954 B13R1.9 CSCCOCc1ccc(nc1)F 34a_100000079959_100000212216 [0,1,1,0,0,0|2,0,0]=4 1955 B13R1.9 CSCCOCc1ccc(nc1)F 34a_100000230434_100000099788 [0,1,1,0,0,0|2,0,0]=4 1956 B13R1.9 CSCCOCc1ccc(nc1)F 7a_100000230434_100009820150 [0,1,1,0,0,0|2,0,0]=4 1957 B13R1.9 CSCCOCc1ccc(nc1)N 34a_100000704267_100000212216 [0,1,1,0,0,0|2,0,0]=4 1958 B13R1.9 CSCCSCc1ccc(nc1)Br 62a_100000212216_100009831999 [0,1,1,0,0,0|2,0,0]=4 1959 B13R1.9 CSCCSCc1ccc(nc1)Br 62a_100009831999_100000751147 [0,1,1,0,0,0|2,0,0]=4 1960 B13R1.9 CSCCSCc1ccc(nc1)C 62a_100000212216_100016987292 [0,1,1,0,0,0|2,0,0]=4 1961 B13R1.9 CSCCSCc1ccc(nc1)C 62a_100016987292_100000751147 [0,1,1,0,0,0|2,0,0]=4 1962 B13R1.9 CSCCSCc1ccc(nc1)Cl 62a_100000212216_100000735431 [0,1,1,0,0,0|2,0,0]=4 1963 B13R1.9 CSCCSCc1ccc(nc1)Cl 62a_100000735431_100000751147 [0,1,1,0,0,0|2,0,0]=4 1964 B13R1.9 CSCCSCc1ccc(nc1)F 62a_100000212216_100000099788 [0,1,1,0,0,0|2,0,0]=4 1965 B13R1.9 CSCCSCc1ccc(nc1)F 62a_100009820150_100000751147 [0,1,1,0,0,0|2,0,0]=4 1966 B13R1.9 CSCOCCc1ccc(nc1)C 34a_100011815783_100011218213 [0,1,1,0,0,0|2,0,0]=4 1967 B13R1.9 CSCOCCc1ccc(nc1)Cl 34a_100009880866_100011218213 [0,1,1,0,0,0|2,0,0]=4 1968 B13R1.9 Cc1ccc(cc1)OCCCN[13CH3] 34a_100000747266_200025704644 [0,1,1,0,0,0|2,0,0]=4 1969 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 2230a_100160821348_200025704644 [0,1,1,0,0,0|1,0,0]=3 1970 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 34a_100160821348_200025704644 [0,1,1,0,0,0|1,0,0]=3 1971 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 2230a_200011199081_200025704644 [0,1,1,0,0,0|2,0,0]=4 1972 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 34a_200011199081_200025704644 [0,1,1,0,0,0|2,0,0]=4 1973 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 2230a_100000747263_200025704644 [0,1,1,0,0,0|2,0,0]=4 1974 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 34a_100000747263_200025704644 [0,1,1,0,0,0|2,0,0]=4 1975 B13R1.9 [13CH3]NCCCSc1ccc(cc1)Cl 2230a_100000189518_200025704644 [0,1,1,0,0,0|2,0,0]=4 1976 B13R1.9 [13CH3]NCCCSc1ccc(cc1)F 2230a_100000683907_200025704644 [0,1,1,0,0,0|2,0,0]=4 1977 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 2230a_100000189180_200025704644 [0,1,1,0,0,0|2,0,0]=4 1978 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 34a_100000189180_200025704644 [0,1,1,0,0,0|2,0,0]=4 1979 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 2230a_100000739548_200025704644 [0,1,1,0,0,0|2,0,0]=4 1980 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 34a_100000739548_200025704644 [0,1,1,0,0,0|2,0,0]=4 1981 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 7a_100000739548_200025704644 [0,1,1,0,0,0|2,0,0]=4 1982 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 2230a_100020610864_200025704644 [0,1,1,0,0,0|2,0,0]=4 1983 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 34a_100020610864_200025704644 [0,1,1,0,0,0|2,0,0]=4 1984 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 7a_100020610864_200025704644 [0,1,1,0,0,0|2,0,0]=4 1985 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200012094861_200025704644 [0,1,1,0,0,0|2,0,0]=4 1986 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200025704644_200012094861 [0,1,1,0,0,0|2,0,0]=4 1987 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_100012093538_200025704644 [0,1,1,0,0,0|2,0,0]=4 1988 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_200025704644_100012093538 [0,1,1,0,0,0|2,0,0]=4 1989 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [0,1,1,0,0,0|2,0,0]=4 1990 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [0,1,1,0,0,0|2,0,0]=4 1991 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [0,1,1,0,0,0|2,0,0]=4 1992 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,1,1,0,0,0|1,0,1]=4 1993 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,1,1,0,0,0|1,0,1]=4 1994 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,1,1,0,0,0|2,0,0]=4 1995 B13R1.24 COCCNC(C)c1cccnc1 2230a_100000195435_100011201679 [0,1,1,0,0,0|2,0,0]=4 1996 B13R1.24 COCCNC(C)c1cccnc1 269862a_100000209980_100000210468 [0,1,1,0,0,0|2,0,0]=4 1997 B13R1.24 COCNCC(O)c1cccnc1 2230a_100020605170_100000766300 [0,1,1,0,0,0|2,0,0]=4 1998 B13R1.24 CSCCNC(C)c1cccnc1 2230a_100000195435_100000751147 [0,1,1,0,0,0|2,0,0]=4 1999 B13R1.24 CSCCNC(C)c1cccnc1 269862a_100020590264_100000210468 [0,1,1,0,0,0|2,0,0]=4 2000 B13R1.24 CSCNCC(O)c1cccnc1 2230a_100020605170_100011218213 [0,1,1,0,0,0|2,0,0]=4 2001 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,1,1,0,0,0|2,0,0]=4 2002 B13R1.28 BrCCCCOCc1cccnc1 34a_100011216708_100000733263 [0,1,1,0,0,0|2,0,0]=4 2003 B13R1.28 C#CCCCCOc1cccnc1 34a_100000210849_100010269958 [0,1,1,0,0,0|1,0,1]=4 2004 B13R1.28 C#CCCCCOc1cccnc1 7a_100000210849_100010269958 [0,1,1,0,0,0|1,0,1]=4 2005 B13R1.28 C#CCCCCSc1cccnc1 62a_100000210063_100010269958 [0,1,1,0,0,0|1,0,1]=4 2006 B13R1.28 C#CCCCCSc1cccnc1 62a_100010269958_100000210063 [0,1,1,0,0,0|1,0,1]=4 2007 B13R1.28 C#CCCCNCc1cccnc1 207a_100000718082_100000209961 [0,1,1,0,0,0|1,0,1]=4 2008 B13R1.28 C#CCCCNCc1cccnc1 270004a_100000718082_100000209961 [0,1,1,0,0,0|1,0,1]=4 2009 B13R1.28 C#CCCCNCc1cccnc1 34a_100000718082_100000733263 [0,1,1,0,0,0|1,0,1]=4 2010 B13R1.28 C#CCCCOCc1cccnc1 34a_100000215630_100000733263 [0,1,1,0,0,0|1,0,1]=4 2011 B13R1.28 C#CCCCOCc1cccnc1 7a_100000215630_100000741622 [0,1,1,0,0,0|1,0,1]=4 2012 B13R1.28 C#CCCCSCc1cccnc1 62a_100000741622_100011215417 [0,1,1,0,0,0|1,0,1]=4 2013 B13R1.28 C#CCCCSCc1cccnc1 62a_100011215417_100000741622 [0,1,1,0,0,0|1,0,1]=4 2014 B13R1.28 C#CCCNCCc1cccnc1 2230a_100000736294_100000688953 [0,1,1,0,0,0|1,0,1]=4 2015 B13R1.28 C#CCCOCCc1cccnc1 34a_100011217484_100000688953 [0,1,1,0,0,0|1,0,1]=4 2016 B13R1.28 C#CCCSCCc1cccnc1 62a_100000688953_200011713674 [0,1,1,0,0,0|1,0,1]=4 2017 B13R1.28 C#CCCSCCc1cccnc1 62a_200011713674_100000688953 [0,1,1,0,0,0|1,0,1]=4 2018 B13R1.28 C#CCNCCCc1cccnc1 2230a_100011532358_100000038162 [0,1,1,0,0,0|1,0,1]=4 2019 B13R1.28 C#CCNCCCc1cccnc1 34a_100011532358_100000184674 [0,1,1,0,0,0|1,0,1]=4 2020 B13R1.28 C#CCOCCCc1cccnc1 34a_100000211284_100000184674 [0,1,1,0,0,0|1,0,1]=4 2021 B13R1.28 C/C=C/CCOCc1cccnc1 34a_100016278192_100000733263 [0,1,1,0,0,0|1,0,1]=4 2022 B13R1.28 C/C=C/COCCc1cccnc1 34a_100011217484_100102629194 [0,1,1,0,0,0|1,0,1]=4 2023 B13R1.28 C/C=C/CSCCc1cccnc1 62a_100102629194_200011713674 [0,1,1,0,0,0|1,0,1]=4 2024 B13R1.28 C/C=C/CSCCc1cccnc1 62a_200011713674_100102629194 [0,1,1,0,0,0|1,0,1]=4 2025 B13R1.28 C=CCCCCOc1cccnc1 34a_100000210849_100011215482 [0,1,1,0,0,0|1,0,1]=4 2026 B13R1.28 C=CCCCCOc1cccnc1 7a_100000210849_100011215482 [0,1,1,0,0,0|1,0,1]=4 2027 B13R1.28 C=CCCCCSc1cccnc1 62a_100000210063_100011215482 [0,1,1,0,0,0|1,0,1]=4 2028 B13R1.28 C=CCCCCSc1cccnc1 62a_100011215482_100000210063 [0,1,1,0,0,0|1,0,1]=4 2029 B13R1.28 C=CCCCNCc1cccnc1 2230a_100000700776_100000741622 [0,1,1,0,0,0|1,0,1]=4 2030 B13R1.28 C=CCCCNCc1cccnc1 270004a_100000700776_100000209961 [0,1,1,0,0,0|1,0,1]=4 2031 B13R1.28 C=CCCCNCc1cccnc1 34a_100000700776_100000733263 [0,1,1,0,0,0|1,0,1]=4 2032 B13R1.28 C=CCCCOCc1cccnc1 34a_100000758997_100000733263 [0,1,1,0,0,0|1,0,1]=4 2033 B13R1.28 C=CCCCOCc1cccnc1 7a_100000758997_100000741622 [0,1,1,0,0,0|1,0,1]=4 2034 B13R1.28 C=CCCCSCc1cccnc1 62a_100000741622_100000757094 [0,1,1,0,0,0|1,0,1]=4 2035 B13R1.28 C=CCCCSCc1cccnc1 62a_100011713584_100000741622 [0,1,1,0,0,0|1,0,1]=4 2036 B13R1.28 C=CCCNCCc1cccnc1 2230a_100000736294_100000754431 [0,1,1,0,0,0|1,0,1]=4 2037 B13R1.28 C=CCCNCCc1cccnc1 2230a_100015191253_200011713674 [0,1,1,0,0,0|1,0,1]=4 2038 B13R1.28 C=CCCOCCc1cccnc1 34a_100011217484_100000754431 [0,1,1,0,0,0|1,0,1]=4 2039 B13R1.28 C=CCCSCCc1cccnc1 62a_100000754431_200011713674 [0,1,1,0,0,0|1,0,1]=4 2040 B13R1.28 C=CCCSCCc1cccnc1 62a_200011713674_100000754431 [0,1,1,0,0,0|1,0,1]=4 2041 B13R1.28 C=CCNCCCc1cccnc1 2230a_100011532358_100000210623 [0,1,1,0,0,0|1,0,1]=4 2042 B13R1.28 C=CCNCCCc1cccnc1 34a_100011532358_100015514636 [0,1,1,0,0,0|1,0,1]=4 2043 B13R1.28 C=CCOCCCc1cccnc1 34a_100000211284_100015514636 [0,1,1,0,0,0|1,0,1]=4 2044 B13R1.28 CC#CCCOCc1cccnc1 34a_100000750427_100000733263 [0,1,1,0,0,0|1,0,1]=4 2045 B13R1.28 CC#CCNCCc1cccnc1 2230a_100000685387_200011713674 [0,1,1,0,0,0|1,0,1]=4 2046 B13R1.28 CC#CCNCCc1cccnc1 2230a_100000736294_100000748600 [0,1,1,0,0,0|1,0,1]=4 2047 B13R1.28 CC#CCOCCc1cccnc1 34a_100011217484_100000748600 [0,1,1,0,0,0|1,0,1]=4 2048 B13R1.28 CC#CCSCCc1cccnc1 62a_100000748600_200011713674 [0,1,1,0,0,0|1,0,1]=4 2049 B13R1.28 CC#CCSCCc1cccnc1 62a_200011713674_100000748600 [0,1,1,0,0,0|1,0,1]=4 2050 B13R1.28 CC=CCNCCc1cccnc1 2230a_100000736294_100000070051 [0,1,1,0,0,0|1,0,1]=4 2051 B13R1.28 CC=CCOCCc1cccnc1 34a_100011217484_100000070051 [0,1,1,0,0,0|1,0,1]=4 2052 B13R1.28 CC=CCSCCc1cccnc1 62a_100000070051_200011713674 [0,1,1,0,0,0|1,0,1]=4 2053 B13R1.28 CC=CCSCCc1cccnc1 62a_200011713674_100000070051 [0,1,1,0,0,0|1,0,1]=4 2054 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [0,1,1,0,0,0|1,0,1]=4 2055 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [0,1,1,0,0,0|2,0,0]=4 2056 B13R1.28 CCCCCCNc1cccnn1 27a_100000210581_100016991348 [0,1,1,0,0,0|2,0,0]=4 2057 B13R1.28 CCCCCCNc1cnccn1 27a_100000210581_100000211759 [0,1,1,0,0,0|2,0,0]=4 2058 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [0,1,1,0,0,0|2,0,0]=4 2059 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [0,1,1,0,0,0|2,0,0]=4 2060 B13R1.28 CCCCCCOc1cccnc1 34a_100000210849_100000210314 [0,1,1,0,0,0|1,0,0]=3 2061 B13R1.28 CCCCCCOc1cccnc1 7a_100000210849_100000210314 [0,1,1,0,0,0|1,0,0]=3 2062 B13R1.28 CCCCCCOc1ccnnc1 34a_100015204005_100000210314 [0,1,1,0,0,0|2,0,0]=4 2063 B13R1.28 CCCCCCOc1cncnc1 7a_100000754086_100000210314 [0,1,1,0,0,0|2,0,0]=4 2064 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [0,1,1,0,0,0|2,0,0]=4 2065 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [0,1,1,0,0,0|2,0,0]=4 2066 B13R1.28 CCCCCCSc1cccnc1 62a_100000210063_100000210757 [0,1,1,0,0,0|1,0,0]=3 2067 B13R1.28 CCCCCCSc1cccnc1 62a_100000210314_100000210063 [0,1,1,0,0,0|1,0,0]=3 2068 B13R1.28 CCCCCCSc1cccnn1 62a_100000210314_100016991348 [0,1,1,0,0,0|2,0,0]=4 2069 B13R1.28 CCCCCCSc1cccnn1 62a_100016991348_100000210757 [0,1,1,0,0,0|2,0,0]=4 2070 B13R1.28 CCCCCCSc1ccnnc1 62a_100000210314_100000732662 [0,1,1,0,0,0|2,0,0]=4 2071 B13R1.28 CCCCCCSc1ccnnc1 62a_100000732662_100000210757 [0,1,1,0,0,0|2,0,0]=4 2072 B13R1.28 CCCCCCSc1cnccn1 62a_100000210314_100000211759 [0,1,1,0,0,0|2,0,0]=4 2073 B13R1.28 CCCCCCSc1cnccn1 62a_100000211759_100000210757 [0,1,1,0,0,0|2,0,0]=4 2074 B13R1.28 CCCCCCSc1cncnc1 62a_100000210314_100011206942 [0,1,1,0,0,0|2,0,0]=4 2075 B13R1.28 CCCCCCSc1cncnc1 62a_100011206942_100000210757 [0,1,1,0,0,0|2,0,0]=4 2076 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [0,1,1,0,0,0|2,0,0]=4 2077 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [0,1,1,0,0,0|2,0,0]=4 2078 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [0,1,1,0,0,0|2,0,0]=4 2079 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [0,1,1,0,0,0|2,0,0]=4 2080 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [0,1,1,0,0,0|2,0,0]=4 2081 B13R1.28 CCCCCNCc1cccnc1 207a_100000209983_100000209961 [0,1,1,0,0,0|1,0,0]=3 2082 B13R1.28 CCCCCNCc1cccnc1 2230a_100000209983_100000741622 [0,1,1,0,0,0|1,0,0]=3 2083 B13R1.28 CCCCCNCc1cccnc1 270004a_100000209983_100000209961 [0,1,1,0,0,0|1,0,0]=3 2084 B13R1.28 CCCCCNCc1cccnn1 2230a_100000209983_100016990269 [0,1,1,0,0,0|2,0,0]=4 2085 B13R1.28 CCCCCNCc1cccnn1 2230a_100159270163_100000210326 [0,1,1,0,0,0|2,0,0]=4 2086 B13R1.28 CCCCCNCc1ccnnc1 270004a_100000209983_100011934578 [0,1,1,0,0,0|2,0,0]=4 2087 B13R1.28 CCCCCNCc1cnccn1 2230a_100000209983_100016995436 [0,1,1,0,0,0|2,0,0]=4 2088 B13R1.28 CCCCCNCc1cnccn1 270004a_100000209983_100000749867 [0,1,1,0,0,0|2,0,0]=4 2089 B13R1.28 CCCCCNCc1cncnc1 2230a_100000209983_100015196519 [0,1,1,0,0,0|2,0,0]=4 2090 B13R1.28 CCCCCNCc1cncnc1 2230a_100011243677_100000210326 [0,1,1,0,0,0|2,0,0]=4 2091 B13R1.28 CCCCCNCc1cncnc1 270004a_100000209983_100000749868 [0,1,1,0,0,0|2,0,0]=4 2092 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [0,1,1,0,0,0|2,0,0]=4 2093 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [0,1,1,0,0,0|2,0,0]=4 2094 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [0,1,1,0,0,0|2,0,0]=4 2095 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [0,1,1,0,0,0|2,0,0]=4 2096 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [0,1,1,0,0,0|1,0,0]=3 2097 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [0,1,1,0,0,0|1,0,0]=3 2098 B13R1.28 CCCCCOCc1cccnn1 34a_100000210253_100016990269 [0,1,1,0,0,0|2,0,0]=4 2099 B13R1.28 CCCCCOCc1cccnn1 7a_100000210253_100016990269 [0,1,1,0,0,0|2,0,0]=4 2100 B13R1.28 CCCCCOCc1cnccn1 34a_100000210253_100016995436 [0,1,1,0,0,0|2,0,0]=4 2101 B13R1.28 CCCCCOCc1cnccn1 7a_100000210253_100016995436 [0,1,1,0,0,0|2,0,0]=4 2102 B13R1.28 CCCCCOCc1cncnc1 34a_100000210253_100015196519 [0,1,1,0,0,0|2,0,0]=4 2103 B13R1.28 CCCCCOCc1cncnc1 7a_100000210253_100015196519 [0,1,1,0,0,0|2,0,0]=4 2104 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [0,1,1,0,0,0|2,0,0]=4 2105 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [0,1,1,0,0,0|2,0,0]=4 2106 B13R1.28 CCCCCSCc1cccnc1 62a_100000210326_100000741622 [0,1,1,0,0,0|1,0,0]=3 2107 B13R1.28 CCCCCSCc1cccnc1 62a_100000741622_100000210326 [0,1,1,0,0,0|1,0,0]=3 2108 B13R1.28 CCCCCSCc1cccnn1 62a_100000210326_100016990269 [0,1,1,0,0,0|2,0,0]=4 2109 B13R1.28 CCCCCSCc1cccnn1 62a_100016990269_100000210326 [0,1,1,0,0,0|2,0,0]=4 2110 B13R1.28 CCCCCSCc1cnccn1 62a_100000210326_100016995436 [0,1,1,0,0,0|2,0,0]=4 2111 B13R1.28 CCCCCSCc1cnccn1 62a_100016995436_100000210326 [0,1,1,0,0,0|2,0,0]=4 2112 B13R1.28 CCCCCSCc1cncnc1 62a_100000210326_100015196519 [0,1,1,0,0,0|2,0,0]=4 2113 B13R1.28 CCCCCSCc1cncnc1 62a_100015196519_100000210326 [0,1,1,0,0,0|2,0,0]=4 2114 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [0,1,1,0,0,0|2,0,0]=4 2115 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [0,1,1,0,0,0|2,0,0]=4 2116 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [0,1,1,0,0,0|2,0,0]=4 2117 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [0,1,1,0,0,0|2,0,0]=4 2118 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [0,1,1,0,0,0|1,0,0]=3 2119 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [0,1,1,0,0,0|1,0,0]=3 2120 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [0,1,1,0,0,0|1,0,0]=3 2121 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,1,1,0,0,0|2,0,0]=4 2122 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,1,1,0,0,0|2,0,0]=4 2123 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,1,1,0,0,0|2,0,0]=4 2124 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,1,1,0,0,0|2,0,0]=4 2125 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,1,1,0,0,0|1,0,0]=3 2126 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,1,1,0,0,0|1,0,0]=3 2127 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [0,1,1,0,0,0|2,0,0]=4 2128 B13R1.28 CCCCOCCc1cncnc1 34a_100011709255_100000210210 [0,1,1,0,0,0|2,0,0]=4 2129 B13R1.28 CCCCOCOc1cccnc1 34a_100000210849_100011995733 [0,1,1,0,0,0|2,0,0]=4 2130 B13R1.28 CCCCOCSc1cccnc1 62a_100000210063_100011995733 [0,1,1,0,0,0|2,0,0]=4 2131 B13R1.28 CCCCOCSc1cccnc1 62a_100011995733_100000210063 [0,1,1,0,0,0|2,0,0]=4 2132 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [0,1,1,0,0,0|2,0,0]=4 2133 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [0,1,1,0,0,0|2,0,0]=4 2134 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [0,1,1,0,0,0|1,0,0]=3 2135 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [0,1,1,0,0,0|1,0,0]=3 2136 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [0,1,1,0,0,0|2,0,0]=4 2137 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [0,1,1,0,0,0|2,0,0]=4 2138 B13R1.28 CCCNCCCc1cccnc1 2230a_100011532358_100000210303 [0,1,1,0,0,0|1,0,0]=3 2139 B13R1.28 CCCNCCCc1cccnc1 34a_100011532358_100000210303 [0,1,1,0,0,0|1,0,0]=3 2140 B13R1.28 CCCNCCOc1cccnc1 2230a_100000754688_100000210303 [0,1,1,0,0,0|2,0,0]=4 2141 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [0,1,1,0,0,0|2,0,0]=4 2142 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [0,1,1,0,0,0|2,0,0]=4 2143 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [0,1,1,0,0,0|2,0,0]=4 2144 B13R1.28 CCCOCCCc1cccnc1 34a_100000211284_100000210303 [0,1,1,0,0,0|1,0,0]=3 2145 B13R1.28 CCCOCCOc1cccnc1 34a_100000210849_100011215938 [0,1,1,0,0,0|2,0,0]=4 2146 B13R1.28 CCCOCCOc1cccnc1 7a_100000210849_100011215938 [0,1,1,0,0,0|2,0,0]=4 2147 B13R1.28 CCCOCCSc1cccnc1 62a_100000210063_100011215938 [0,1,1,0,0,0|2,0,0]=4 2148 B13R1.28 CCCOCCSc1cccnc1 62a_100011215938_100000210063 [0,1,1,0,0,0|2,0,0]=4 2149 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [0,1,1,0,0,0|2,0,0]=4 2150 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [0,1,1,0,0,0|2,0,0]=4 2151 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [0,1,1,0,0,0|1,0,0]=3 2152 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [0,1,1,0,0,0|1,0,0]=3 2153 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [0,1,1,0,0,0|1,0,0]=3 2154 B13R1.28 CCNCCCCc1ccncc1 2230a_100015525214_100020630000 [0,1,1,0,0,0|2,0,0]=4 2155 B13R1.28 CCNCCCOc1ccccc1 2230a_100000216521_100000210202 [0,1,1,0,0,0|2,0,0]=4 2156 B13R1.28 CCNCCCOc1ccccc1 2230a_100015525214_100000199009 [0,1,1,0,0,0|2,0,0]=4 2157 B13R1.28 CCNCCCOc1ccccc1 34a_100000216521_100000210202 [0,1,1,0,0,0|2,0,0]=4 2158 B13R1.28 CCNCCCSc1ccccc1 2230a_100000184639_100000210202 [0,1,1,0,0,0|2,0,0]=4 2159 B13R1.28 CCNCCCSc1ccccc1 2230a_100015525214_200011203293 [0,1,1,0,0,0|2,0,0]=4 2160 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [0,1,1,0,0,0|2,0,0]=4 2161 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [0,1,1,0,0,0|2,0,0]=4 2162 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [0,1,1,0,0,0|2,0,0]=4 2163 B13R1.28 CCNCCSCc1ccccc1 2230a_100000189534_100000210202 [0,1,1,0,0,0|2,0,0]=4 2164 B13R1.28 CCNCCSCc1ccccc1 2230a_100015525214_200011297719 [0,1,1,0,0,0|2,0,0]=4 2165 B13R1.28 CCNCCSCc1ccccc1 34a_100000189534_100000210202 [0,1,1,0,0,0|2,0,0]=4 2166 B13R1.28 CCNCCSCc1ccccc1 7a_100000189534_100000210202 [0,1,1,0,0,0|2,0,0]=4 2167 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [0,1,1,0,0,0|2,0,0]=4 2168 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [0,1,1,0,0,0|2,0,0]=4 2169 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [0,1,1,0,0,0|2,0,0]=4 2170 B13R1.28 CCOCCCCc1cccnc1 34a_100012039607_100000210202 [0,1,1,0,0,0|1,0,0]=3 2171 B13R1.28 CCOCCCCc1cccnc1 7a_100012039607_100000210202 [0,1,1,0,0,0|1,0,0]=3 2172 B13R1.28 CCOCCCOc1cccnc1 34a_100000210849_100012232248 [0,1,1,0,0,0|2,0,0]=4 2173 B13R1.28 CCOCCCOc1cccnc1 7a_100000210849_100012232248 [0,1,1,0,0,0|2,0,0]=4 2174 B13R1.28 CCOCCCSc1cccnc1 62a_100000210063_100012232248 [0,1,1,0,0,0|2,0,0]=4 2175 B13R1.28 CCOCCCSc1cccnc1 62a_100012232248_100000210063 [0,1,1,0,0,0|2,0,0]=4 2176 B13R1.28 CCOCCNCc1cccnc1 207a_100011200944_100000209961 [0,1,1,0,0,0|2,0,0]=4 2177 B13R1.28 CCOCCNCc1cccnc1 2230a_102516460346_100000741622 [0,1,1,0,0,0|2,0,0]=4 2178 B13R1.28 CCOCCNCc1cccnc1 270004a_102516460346_100000209961 [0,1,1,0,0,0|2,0,0]=4 2179 B13R1.28 CCOCCNCc1cccnc1 34a_102516460346_100000733263 [0,1,1,0,0,0|2,0,0]=4 2180 B13R1.28 CCOCCOCc1cccnc1 34a_100000210136_100000733263 [0,1,1,0,0,0|2,0,0]=4 2181 B13R1.28 CCOCCOCc1cccnc1 7a_100000210136_100000741622 [0,1,1,0,0,0|2,0,0]=4 2182 B13R1.28 CCOCCSCc1cccnc1 62a_100000210147_100000741622 [0,1,1,0,0,0|2,0,0]=4 2183 B13R1.28 CCOCCSCc1cccnc1 62a_100000741622_100011215890 [0,1,1,0,0,0|2,0,0]=4 2184 B13R1.28 CCOCSCCc1cccnc1 62a_100000739092_200011713674 [0,1,1,0,0,0|2,0,0]=4 2185 B13R1.28 CCOCSCCc1cccnc1 62a_200011713674_100000739092 [0,1,1,0,0,0|2,0,0]=4 2186 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [0,1,1,0,0,0|2,0,0]=4 2187 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [0,1,1,0,0,0|2,0,0]=4 2188 B13R1.28 CCSCCNCc1cccnc1 207a_100000106463_100000209961 [0,1,1,0,0,0|2,0,0]=4 2189 B13R1.28 CCSCCNCc1cccnc1 2230a_100000106463_100000741622 [0,1,1,0,0,0|2,0,0]=4 2190 B13R1.28 CCSCCNCc1cccnc1 270004a_100000106463_100000209961 [0,1,1,0,0,0|2,0,0]=4 2191 B13R1.28 CCSCCOCc1cccnc1 34a_100000212035_100000733263 [0,1,1,0,0,0|2,0,0]=4 2192 B13R1.28 CCSCCOCc1cccnc1 7a_100000212035_100000741622 [0,1,1,0,0,0|2,0,0]=4 2193 B13R1.28 CCSCCSCc1cccnc1 62a_100000741622_100000757381 [0,1,1,0,0,0|2,0,0]=4 2194 B13R1.28 CCSCCSCc1cccnc1 62a_100000757381_100000741622 [0,1,1,0,0,0|2,0,0]=4 2195 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,1,1,0,0,0|1,0,0]=3 2196 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,1,1,0,0,0|1,0,0]=3 2197 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,1,1,0,0,0|1,0,0]=3 2198 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,1,1,0,0,0|1,0,0]=3 2199 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,1,1,0,0,0|1,0,0]=3 2200 B13R1.28 CNCCCCOc1ccccc1 2230a_106832991635_100011215240 [0,1,1,0,0,0|1,0,0]=3 2201 B13R1.28 CNCCCCOc1ccccc1 34a_100102657272_100011215240 [0,1,1,0,0,0|1,0,0]=3 2202 B13R1.28 CNCCCCOc1ccccc1 7a_106832991635_100011215240 [0,1,1,0,0,0|1,0,0]=3 2203 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [0,1,1,0,0,0|1,0,0]=3 2204 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [0,1,1,0,0,0|1,0,0]=3 2205 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [0,1,1,0,0,0|1,0,0]=3 2206 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [0,1,1,0,0,0|1,0,0]=3 2207 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [0,1,1,0,0,0|1,0,0]=3 2208 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [0,1,1,0,0,0|1,0,0]=3 2209 B13R1.28 CNCCCOCc1ccccn1 34a_100000213112_100000721315 [0,1,1,0,0,0|2,0,0]=4 2210 B13R1.28 CNCCCOCc1cccnc1 34a_100000213112_100000733263 [0,1,1,0,0,0|0,0,0]=2 2211 B13R1.28 CNCCCOCc1cccnn1 34a_100000213112_100016990269 [0,1,1,0,0,0|1,0,0]=3 2212 B13R1.28 CNCCCOCc1cnccn1 34a_100000213112_100016995436 [0,1,1,0,0,0|1,0,0]=3 2213 B13R1.28 CNCCCOCc1cncnc1 34a_100000213112_100015196519 [0,1,1,0,0,0|1,0,0]=3 2214 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [0,1,1,0,0,0|2,0,0]=4 2215 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [0,1,1,0,0,0|2,0,0]=4 2216 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [0,1,1,0,0,0|2,0,0]=4 2217 B13R1.28 COCCCCNc1ccccc1 34a_100000106764_100000755781 [0,1,1,0,0,0|2,0,0]=4 2218 B13R1.28 COCCCCOc1ccccc1 34a_100000210340_100000755781 [0,1,1,0,0,0|2,0,0]=4 2219 B13R1.28 COCCCCOc1ccccc1 34a_100000752354_200000210301 [0,1,1,0,0,0|2,0,0]=4 2220 B13R1.28 COCCCCOc1ccccc1 34a_100138415774_100011215240 [0,1,1,0,0,0|2,0,0]=4 2221 B13R1.28 COCCCCOc1ccccc1 7a_100000210340_100000730899 [0,1,1,0,0,0|2,0,0]=4 2222 B13R1.28 COCCCCOc1ccccc1 7a_100000752354_200000210301 [0,1,1,0,0,0|2,0,0]=4 2223 B13R1.28 COCCCCOc1cccnc1 34a_100000210849_100000755781 [0,1,1,0,0,0|1,0,0]=3 2224 B13R1.28 COCCCCOc1cccnc1 7a_100000210849_100000730899 [0,1,1,0,0,0|1,0,0]=3 2225 B13R1.28 COCCCCOc1ccnnc1 34a_100015204005_100000755781 [0,1,1,0,0,0|2,0,0]=4 2226 B13R1.28 COCCCCOc1cncnc1 7a_100000754086_100000730899 [0,1,1,0,0,0|2,0,0]=4 2227 B13R1.28 COCCCCSc1ccccc1 62a_100000719477_100000730899 [0,1,1,0,0,0|2,0,0]=4 2228 B13R1.28 COCCCCSc1ccccc1 62a_100000730899_100000041952 [0,1,1,0,0,0|2,0,0]=4 2229 B13R1.28 COCCCCSc1cccnc1 62a_100000210063_100000730899 [0,1,1,0,0,0|1,0,0]=3 2230 B13R1.28 COCCCCSc1cccnc1 62a_100000730899_100000210063 [0,1,1,0,0,0|1,0,0]=3 2231 B13R1.28 COCCCCSc1cccnn1 62a_100000730899_100016991348 [0,1,1,0,0,0|2,0,0]=4 2232 B13R1.28 COCCCCSc1cccnn1 62a_100016991348_100000730899 [0,1,1,0,0,0|2,0,0]=4 2233 B13R1.28 COCCCCSc1ccnnc1 62a_100000730899_100000732662 [0,1,1,0,0,0|2,0,0]=4 2234 B13R1.28 COCCCCSc1ccnnc1 62a_100000732662_100000730899 [0,1,1,0,0,0|2,0,0]=4 2235 B13R1.28 COCCCCSc1cnccn1 62a_100000211759_100000730899 [0,1,1,0,0,0|2,0,0]=4 2236 B13R1.28 COCCCCSc1cnccn1 62a_100000730899_100000211759 [0,1,1,0,0,0|2,0,0]=4 2237 B13R1.28 COCCCCSc1cncnc1 62a_100000730899_100011206942 [0,1,1,0,0,0|2,0,0]=4 2238 B13R1.28 COCCCCSc1cncnc1 62a_100011206942_100000730899 [0,1,1,0,0,0|2,0,0]=4 2239 B13R1.28 COCCCNCc1ccccc1 207a_100150723488_100015611070 [0,1,1,0,0,0|2,0,0]=4 2240 B13R1.28 COCCCNCc1ccccc1 2230a_100015324214_100000740836 [0,1,1,0,0,0|2,0,0]=4 2241 B13R1.28 COCCCNCc1ccccc1 270004a_100150723488_100015611070 [0,1,1,0,0,0|2,0,0]=4 2242 B13R1.28 COCCCNCc1ccccc1 34a_100000185501_200000210301 [0,1,1,0,0,0|2,0,0]=4 2243 B13R1.28 COCCCNCc1ccccc1 34a_100015324214_100000740836 [0,1,1,0,0,0|2,0,0]=4 2244 B13R1.28 COCCCNCc1ccccc1 34a_100150723488_100015291786 [0,1,1,0,0,0|2,0,0]=4 2245 B13R1.28 COCCCNCc1cccnc1 207a_100150723488_100000209961 [0,1,1,0,0,0|1,0,0]=3 2246 B13R1.28 COCCCNCc1cccnc1 270004a_100150723488_100000209961 [0,1,1,0,0,0|1,0,0]=3 2247 B13R1.28 COCCCNCc1cccnc1 34a_100150723488_100000733263 [0,1,1,0,0,0|1,0,0]=3 2248 B13R1.28 COCCCNCc1cccnn1 2230a_100159270163_100000740836 [0,1,1,0,0,0|2,0,0]=4 2249 B13R1.28 COCCCNCc1cccnn1 34a_100150723488_100016990269 [0,1,1,0,0,0|2,0,0]=4 2250 B13R1.28 COCCCNCc1ccnnc1 270004a_100150723488_100011934578 [0,1,1,0,0,0|2,0,0]=4 2251 B13R1.28 COCCCNCc1cnccn1 270004a_100150723488_100000749867 [0,1,1,0,0,0|2,0,0]=4 2252 B13R1.28 COCCCNCc1cnccn1 34a_100150723488_100016995436 [0,1,1,0,0,0|2,0,0]=4 2253 B13R1.28 COCCCNCc1cncnc1 2230a_100011243677_100000740836 [0,1,1,0,0,0|2,0,0]=4 2254 B13R1.28 COCCCNCc1cncnc1 270004a_100150723488_100000749868 [0,1,1,0,0,0|2,0,0]=4 2255 B13R1.28 COCCCNCc1cncnc1 34a_100150723488_100015196519 [0,1,1,0,0,0|2,0,0]=4 2256 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [0,1,1,0,0,0|2,0,0]=4 2257 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [0,1,1,0,0,0|2,0,0]=4 2258 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [0,1,1,0,0,0|2,0,0]=4 2259 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [0,1,1,0,0,0|2,0,0]=4 2260 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [0,1,1,0,0,0|2,0,0]=4 2261 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [0,1,1,0,0,0|2,0,0]=4 2262 B13R1.28 COCCCOCc1cccnc1 34a_100000740835_100000733263 [0,1,1,0,0,0|1,0,0]=3 2263 B13R1.28 COCCCOCc1cccnn1 34a_100000740835_100016990269 [0,1,1,0,0,0|2,0,0]=4 2264 B13R1.28 COCCCOCc1cnccn1 34a_100000740835_100016995436 [0,1,1,0,0,0|2,0,0]=4 2265 B13R1.28 COCCCOCc1cncnc1 34a_100000740835_100015196519 [0,1,1,0,0,0|2,0,0]=4 2266 B13R1.28 COCCCSCc1ccccc1 62a_100000211182_100000709357 [0,1,1,0,0,0|2,0,0]=4 2267 B13R1.28 COCCCSCc1ccccc1 62a_100000709357_100015291786 [0,1,1,0,0,0|2,0,0]=4 2268 B13R1.28 COCCCSCc1cccnc1 62a_100000709357_100000741622 [0,1,1,0,0,0|1,0,0]=3 2269 B13R1.28 COCCCSCc1cccnc1 62a_100000741622_100000709357 [0,1,1,0,0,0|1,0,0]=3 2270 B13R1.28 COCCCSCc1cccnn1 62a_100000709357_100016990269 [0,1,1,0,0,0|2,0,0]=4 2271 B13R1.28 COCCCSCc1cccnn1 62a_100016990269_100000709357 [0,1,1,0,0,0|2,0,0]=4 2272 B13R1.28 COCCCSCc1cnccn1 62a_100000709357_100016995436 [0,1,1,0,0,0|2,0,0]=4 2273 B13R1.28 COCCCSCc1cnccn1 62a_100016995436_100000709357 [0,1,1,0,0,0|2,0,0]=4 2274 B13R1.28 COCCCSCc1cncnc1 62a_100000709357_100015196519 [0,1,1,0,0,0|2,0,0]=4 2275 B13R1.28 COCCCSCc1cncnc1 62a_100015196519_100000709357 [0,1,1,0,0,0|2,0,0]=4 2276 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [0,1,1,0,0,0|2,0,0]=4 2277 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [0,1,1,0,0,0|2,0,0]=4 2278 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [0,1,1,0,0,0|2,0,0]=4 2279 B13R1.28 COCCNCCc1cccnc1 2230a_100000209980_200011713674 [0,1,1,0,0,0|1,0,0]=3 2280 B13R1.28 COCCNCCc1cccnc1 2230a_100000736294_100011201679 [0,1,1,0,0,0|1,0,0]=3 2281 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [0,1,1,0,0,0|2,0,0]=4 2282 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [0,1,1,0,0,0|2,0,0]=4 2283 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [0,1,1,0,0,0|2,0,0]=4 2284 B13R1.28 COCCOCCc1cccnc1 34a_100011217484_100011201679 [0,1,1,0,0,0|1,0,0]=3 2285 B13R1.28 COCCOCCc1cnccn1 34a_100011349526_100011201679 [0,1,1,0,0,0|2,0,0]=4 2286 B13R1.28 COCCOCCc1cncnc1 34a_100011709255_100011201679 [0,1,1,0,0,0|2,0,0]=4 2287 B13R1.28 COCCOCSc1cccnc1 62a_100000210063_100000231047 [0,1,1,0,0,0|2,0,0]=4 2288 B13R1.28 COCCOCSc1cccnc1 62a_100000231047_100000210063 [0,1,1,0,0,0|2,0,0]=4 2289 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [0,1,1,0,0,0|2,0,0]=4 2290 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [0,1,1,0,0,0|2,0,0]=4 2291 B13R1.28 COCCSCCc1cccnc1 62a_100000233755_200011713674 [0,1,1,0,0,0|1,0,0]=3 2292 B13R1.28 COCCSCCc1cccnc1 62a_200011713674_100000233755 [0,1,1,0,0,0|1,0,0]=3 2293 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [0,1,1,0,0,0|2,0,0]=4 2294 B13R1.28 COCNCCCc1cccnc1 2230a_100011532358_100000766300 [0,1,1,0,0,0|1,0,0]=3 2295 B13R1.28 COCNCCOc1cccnc1 2230a_100000754688_100000766300 [0,1,1,0,0,0|2,0,0]=4 2296 B13R1.28 COCSCCCc1ccccc1 62a_100000211621_100000766300 [0,1,1,0,0,0|2,0,0]=4 2297 B13R1.28 COCSCCCc1ccccc1 62a_100000766300_100000211621 [0,1,1,0,0,0|2,0,0]=4 2298 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [0,1,1,0,0,0|2,0,0]=4 2299 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [0,1,1,0,0,0|2,0,0]=4 2300 B13R1.28 CSCCCCOc1ccccc1 62a_100011215240_200000210301 [0,1,1,0,0,0|2,0,0]=4 2301 B13R1.28 CSCCCCOc1ccccc1 62a_200000210301_100011215240 [0,1,1,0,0,0|2,0,0]=4 2302 B13R1.28 CSCCCNCc1ccccc1 207a_100000749238_100015611070 [0,1,1,0,0,0|2,0,0]=4 2303 B13R1.28 CSCCCNCc1ccccc1 2230a_100000749238_100015291786 [0,1,1,0,0,0|2,0,0]=4 2304 B13R1.28 CSCCCNCc1ccccc1 270004a_100000749238_100015611070 [0,1,1,0,0,0|2,0,0]=4 2305 B13R1.28 CSCCCNCc1cccnc1 207a_100000749238_100000209961 [0,1,1,0,0,0|1,0,0]=3 2306 B13R1.28 CSCCCNCc1cccnc1 2230a_100000749238_100000741622 [0,1,1,0,0,0|1,0,0]=3 2307 B13R1.28 CSCCCNCc1cccnc1 270004a_100000749238_100000209961 [0,1,1,0,0,0|1,0,0]=3 2308 B13R1.28 CSCCCNCc1cccnn1 2230a_100000749238_100016990269 [0,1,1,0,0,0|2,0,0]=4 2309 B13R1.28 CSCCCNCc1ccnnc1 270004a_100000749238_100011934578 [0,1,1,0,0,0|2,0,0]=4 2310 B13R1.28 CSCCCNCc1cnccn1 2230a_100000749238_100016995436 [0,1,1,0,0,0|2,0,0]=4 2311 B13R1.28 CSCCCNCc1cnccn1 270004a_100000749238_100000749867 [0,1,1,0,0,0|2,0,0]=4 2312 B13R1.28 CSCCCNCc1cncnc1 2230a_100000749238_100015196519 [0,1,1,0,0,0|2,0,0]=4 2313 B13R1.28 CSCCCNCc1cncnc1 270004a_100000749238_100000749868 [0,1,1,0,0,0|2,0,0]=4 2314 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [0,1,1,0,0,0|2,0,0]=4 2315 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [0,1,1,0,0,0|2,0,0]=4 2316 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [0,1,1,0,0,0|2,0,0]=4 2317 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [0,1,1,0,0,0|2,0,0]=4 2318 B13R1.28 CSCCCOCc1cccnc1 34a_100000690336_100000733263 [0,1,1,0,0,0|1,0,0]=3 2319 B13R1.28 CSCCCOCc1cccnc1 7a_100000690336_100000741622 [0,1,1,0,0,0|1,0,0]=3 2320 B13R1.28 CSCCCOCc1cccnn1 34a_100000690336_100016990269 [0,1,1,0,0,0|2,0,0]=4 2321 B13R1.28 CSCCCOCc1cccnn1 7a_100000690336_100016990269 [0,1,1,0,0,0|2,0,0]=4 2322 B13R1.28 CSCCCOCc1cnccn1 34a_100000690336_100016995436 [0,1,1,0,0,0|2,0,0]=4 2323 B13R1.28 CSCCCOCc1cnccn1 7a_100000690336_100016995436 [0,1,1,0,0,0|2,0,0]=4 2324 B13R1.28 CSCCCOCc1cncnc1 34a_100000690336_100015196519 [0,1,1,0,0,0|2,0,0]=4 2325 B13R1.28 CSCCCOCc1cncnc1 7a_100000690336_100015196519 [0,1,1,0,0,0|2,0,0]=4 2326 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [0,1,1,0,0,0|2,0,0]=4 2327 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [0,1,1,0,0,0|2,0,0]=4 2328 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [0,1,1,0,0,0|2,0,0]=4 2329 B13R1.28 CSCCNCCc1cccnc1 2230a_100000736294_100000751147 [0,1,1,0,0,0|1,0,0]=3 2330 B13R1.28 CSCCNCCc1cccnc1 2230a_100020590264_200011713674 [0,1,1,0,0,0|1,0,0]=3 2331 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [0,1,1,0,0,0|2,0,0]=4 2332 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [0,1,1,0,0,0|2,0,0]=4 2333 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [0,1,1,0,0,0|2,0,0]=4 2334 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [0,1,1,0,0,0|2,0,0]=4 2335 B13R1.28 CSCCOCCc1cccnc1 34a_100011217484_100000212216 [0,1,1,0,0,0|1,0,0]=3 2336 B13R1.28 CSCCOCCc1cccnc1 7a_100000230434_200011713674 [0,1,1,0,0,0|1,0,0]=3 2337 B13R1.28 CSCCOCCc1cnccn1 34a_100011349526_100000212216 [0,1,1,0,0,0|2,0,0]=4 2338 B13R1.28 CSCCOCCc1cncnc1 34a_100011709255_100000212216 [0,1,1,0,0,0|2,0,0]=4 2339 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [0,1,1,0,0,0|2,0,0]=4 2340 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [0,1,1,0,0,0|2,0,0]=4 2341 B13R1.28 CSCCSCCc1cccnc1 62a_100000212216_200011713674 [0,1,1,0,0,0|1,0,0]=3 2342 B13R1.28 CSCCSCCc1cccnc1 62a_200011713674_100000751147 [0,1,1,0,0,0|1,0,0]=3 2343 B13R1.28 CSCNCCCc1ccccc1 2230a_100000211184_100011218213 [0,1,1,0,0,0|2,0,0]=4 2344 B13R1.28 CSCNCCCc1ccccc1 34a_100000211184_100011218213 [0,1,1,0,0,0|2,0,0]=4 2345 B13R1.28 CSCNCCCc1cccnc1 2230a_100011532358_100011218213 [0,1,1,0,0,0|1,0,0]=3 2346 B13R1.28 CSCNCCCc1cccnc1 34a_100011532358_100011218213 [0,1,1,0,0,0|1,0,0]=3 2347 B13R1.28 CSCNCCOc1cccnc1 2230a_100000754688_100011218213 [0,1,1,0,0,0|2,0,0]=4 2348 B13R1.28 CSCOCCCc1ccccc1 34a_100000210828_100011218213 [0,1,1,0,0,0|2,0,0]=4 2349 B13R1.28 CSCOCCCc1cccnc1 34a_100000211284_100011218213 [0,1,1,0,0,0|1,0,0]=3 2350 B13R1.28 CSCSCCCc1ccccc1 62a_100000211621_100011218213 [0,1,1,0,0,0|2,0,0]=4 2351 B13R1.28 CSCSCCCc1ccccc1 62a_100011218213_100000211621 [0,1,1,0,0,0|2,0,0]=4 2352 B13R1.28 ClCCCCOCc1cccnc1 34a_100000210776_100000733263 [0,1,1,0,0,0|2,0,0]=4 2353 B13R1.28 ClCCCCOCc1cccnc1 7a_100000210776_100000741622 [0,1,1,0,0,0|2,0,0]=4 2354 B13R1.28 FCCCCCOc1cccnc1 34a_100000210849_100000729378 [0,1,1,0,0,0|2,0,0]=4 2355 B13R1.28 FCCCCCOc1cccnc1 7a_100000210849_100000729378 [0,1,1,0,0,0|2,0,0]=4 2356 B13R1.28 FCCCCCSc1cccnc1 62a_100000210063_100000729378 [0,1,1,0,0,0|2,0,0]=4 2357 B13R1.28 FCCCCCSc1cccnc1 62a_100000729378_100000210063 [0,1,1,0,0,0|2,0,0]=4 2358 B13R1.28 FCCCCOCc1cccnc1 34a_100011995726_100000733263 [0,1,1,0,0,0|2,0,0]=4 2359 B13R1.28 FCCCCOCc1cccnc1 7a_100011995726_100000741622 [0,1,1,0,0,0|2,0,0]=4 2360 B13R1.28 FCCCCSCc1cccnc1 62a_100000729493_100000741622 [0,1,1,0,0,0|2,0,0]=4 2361 B13R1.28 FCCCCSCc1cccnc1 62a_100000741622_100000729493 [0,1,1,0,0,0|2,0,0]=4 2362 B13R1.28 FCCCNCCc1cccnc1 2230a_100000736294_100011934791 [0,1,1,0,0,0|2,0,0]=4 2363 B13R1.28 FCCCNCCc1cccnc1 2230a_100015189416_200011713674 [0,1,1,0,0,0|2,0,0]=4 2364 B13R1.28 FCCCOCCc1cccnc1 34a_100011217484_100011934791 [0,1,1,0,0,0|2,0,0]=4 2365 B13R1.28 FCCCSCCc1cccnc1 62a_100011934791_200011713674 [0,1,1,0,0,0|2,0,0]=4 2366 B13R1.28 FCCCSCCc1cccnc1 62a_200011713674_100011934791 [0,1,1,0,0,0|2,0,0]=4 2367 B13R1.28 FCCNCCCc1cccnc1 2230a_100011532358_100011217306 [0,1,1,0,0,0|2,0,0]=4 2368 B13R1.28 FCCNCCCc1cccnc1 34a_100011532358_100011217306 [0,1,1,0,0,0|2,0,0]=4 2369 B13R1.28 FCCOCCCc1cccnc1 34a_100000211284_100011217306 [0,1,1,0,0,0|2,0,0]=4 2370 B13R1.28 FCNCCCCc1ccccc1 34a_100015280158_100015361967 [0,1,1,0,0,0|1,0,0]=3 2371 B13R1.28 FCNCCCOc1ccccc1 34a_100000216521_100015361967 [0,1,1,0,0,0|2,0,0]=4 2372 B13R1.28 FCNCCOCc1ccccc1 34a_100000753106_100015361967 [0,1,1,0,0,0|2,0,0]=4 2373 B13R1.28 FCNCCSCc1ccccc1 34a_100000189534_100015361967 [0,1,1,0,0,0|2,0,0]=4 2374 B13R1.28 FCNCCSCc1ccccc1 7a_100000189534_100015361967 [0,1,1,0,0,0|2,0,0]=4 2375 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [0,1,1,0,0,0|2,0,0]=4 2376 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [0,1,1,0,0,0|2,0,0]=4 2377 B13R1.28 FCOCCCCc1cccnc1 34a_100012039607_100015361967 [0,1,1,0,0,0|1,0,0]=3 2378 B13R1.28 FCOCCCCc1cccnc1 7a_100012039607_100015361967 [0,1,1,0,0,0|1,0,0]=3 2379 B13R1.28 FCSCCCCc1ccccc1 62a_100000701786_100015361967 [0,1,1,0,0,0|2,0,0]=4 2380 B13R1.28 FCSCCCCc1ccccc1 62a_100015361967_100000701786 [0,1,1,0,0,0|2,0,0]=4 2381 B13R1.28 ICCCCOCc1cccnc1 34a_200012148704_100000733263 [0,1,1,0,0,0|2,0,0]=4 2382 B13R1.28 N#CCCCCOc1cccnc1 7a_100000210849_100000211819 [0,1,1,0,0,0|2,0,0]=4 2383 B13R1.28 N#CCCCCSc1cccnc1 62a_100000210063_100000211819 [0,1,1,0,0,0|2,0,0]=4 2384 B13R1.28 N#CCCCCSc1cccnc1 62a_100011219923_100000210063 [0,1,1,0,0,0|2,0,0]=4 2385 B13R1.28 N#CCCCSCc1cccnc1 62a_100000687738_100000741622 [0,1,1,0,0,0|2,0,0]=4 2386 B13R1.28 N#CCCCSCc1cccnc1 62a_100000741622_100000687738 [0,1,1,0,0,0|2,0,0]=4 2387 B13R1.28 N#CCCNCCc1cccnc1 2230a_100000736294_100011215226 [0,1,1,0,0,0|2,0,0]=4 2388 B13R1.28 N#CCCSCCc1cccnc1 62a_100011215226_200011713674 [0,1,1,0,0,0|2,0,0]=4 2389 B13R1.28 N#CCCSCCc1cccnc1 62a_200011713674_100011215226 [0,1,1,0,0,0|2,0,0]=4 2390 B13R1.28 N#CCNCCCc1cccnc1 2230a_100011532358_100011215382 [0,1,1,0,0,0|2,0,0]=4 2391 B13R1.28 NCCCCOCc1cccnc1 34a_100000750430_100000733263 [0,1,1,0,0,0|2,0,0]=4 2392 B13R1.28 O=CCCCCOc1cccnc1 7a_100000210849_100000139335 [0,1,1,0,0,0|2,0,0]=4 2393 B13R1.28 O=CCCCCSc1cccnc1 62a_100000139335_100000210063 [0,1,1,0,0,0|2,0,0]=4 2394 B13R1.28 O=CCCCCSc1cccnc1 62a_100000210063_100000139335 [0,1,1,0,0,0|2,0,0]=4 2395 B13R1.28 O=CCCCSCc1cccnc1 62a_100000741622_200011292268 [0,1,1,0,0,0|2,0,0]=4 2396 B13R1.28 O=CCCCSCc1cccnc1 62a_200011292268_100000741622 [0,1,1,0,0,0|2,0,0]=4 2397 B13R1.28 O=CCNCCCc1cccnc1 2230a_100011532358_200015260668 [0,1,1,0,0,0|2,0,0]=4 2398 B13R1.28 O=CCNCCCc1cccnc1 34a_100011532358_200009817547 [0,1,1,0,0,0|2,0,0]=4 2399 B13R1.28 O=CCOCCCc1cccnc1 34a_100000211284_200009817547 [0,1,1,0,0,0|2,0,0]=4 2400 B13R1.28 OCCCCCOc1cccnc1 34a_100000210849_100000746330 [0,1,1,0,0,0|2,0,0]=4 2401 B13R1.28 OCCCCCOc1cccnc1 7a_100000210849_100000746330 [0,1,1,0,0,0|2,0,0]=4 2402 B13R1.28 OCCCCCSc1cccnc1 62a_100000210063_100000746330 [0,1,1,0,0,0|2,0,0]=4 2403 B13R1.28 OCCCCCSc1cccnc1 62a_100000746330_100000210063 [0,1,1,0,0,0|2,0,0]=4 2404 B13R1.28 OCCCCNCc1cccnc1 207a_100000750430_100000209961 [0,1,1,0,0,0|2,0,0]=4 2405 B13R1.28 OCCCCNCc1cccnc1 2230a_100000750430_100000741622 [0,1,1,0,0,0|2,0,0]=4 2406 B13R1.28 OCCCCNCc1cccnc1 270004a_100000750430_100000209961 [0,1,1,0,0,0|2,0,0]=4 2407 B13R1.28 OCCCCNCc1cccnc1 34a_100000750430_100000733263 [0,1,1,0,0,0|2,0,0]=4 2408 B13R1.28 OCCCCSCc1cccnc1 62a_100000210776_100000741622 [0,1,1,0,0,0|2,0,0]=4 2409 B13R1.28 OCCCCSCc1cccnc1 62a_100000741622_100000210776 [0,1,1,0,0,0|2,0,0]=4 2410 B13R1.28 OCCCNCCc1cccnc1 2230a_100000736294_100000230001 [0,1,1,0,0,0|2,0,0]=4 2411 B13R1.28 OCCCOCCc1cccnc1 34a_100011217484_100000230001 [0,1,1,0,0,0|2,0,0]=4 2412 B13R1.28 OCCCSCCc1cccnc1 62a_100011215043_200011713674 [0,1,1,0,0,0|2,0,0]=4 2413 B13R1.28 OCCCSCCc1cccnc1 62a_200011713674_100011215043 [0,1,1,0,0,0|2,0,0]=4 2414 B13R1.28 OCCNCCCc1cccnc1 2230a_100011532358_100000211926 [0,1,1,0,0,0|2,0,0]=4 2415 B13R1.28 OCCNCCCc1cccnc1 34a_100011532358_100000211926 [0,1,1,0,0,0|2,0,0]=4 2416 B13R1.28 OCCOCCCc1cccnc1 34a_100000211284_100000211926 [0,1,1,0,0,0|2,0,0]=4 2417 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,1,1,0,0,0|1,0,0]=3 2418 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,1,1,0,0,0|1,0,0]=3 2419 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [0,1,1,0,0,0|1,0,0]=3 2420 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [0,1,1,0,0,0|1,0,0]=3 2421 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [0,1,1,0,0,0|2,0,0]=4 2422 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [0,1,1,0,0,0|2,0,0]=4 2423 B13R1.28 [13CH3]OCCCCOc1ccccc1 34a_100000752354_200025704644 [0,1,1,0,0,0|2,0,0]=4 2424 B13R1.28 [13CH3]OCCCCOc1ccccc1 7a_100000752354_200025704644 [0,1,1,0,0,0|2,0,0]=4 2425 B13R1.28 [13CH3]OCCCNCc1ccccc1 34a_100000185501_200025704644 [0,1,1,0,0,0|2,0,0]=4 2426 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [0,1,1,0,0,0|2,0,0]=4 2427 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [0,1,1,0,0,0|2,0,0]=4 2428 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [0,1,1,0,0,0|2,0,0]=4 2429 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [0,1,1,0,0,0|2,0,0]=4 2430 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_100011215240_200025704644 [0,1,1,0,0,0|2,0,0]=4 2431 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_200025704644_100011215240 [0,1,1,0,0,0|2,0,0]=4 2432 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [0,1,1,0,0,0|2,0,0]=4 2433 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [0,1,1,0,0,0|2,0,0]=4 2434 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,1,1,0,0,0|1,0,1]=4 2435 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,1,1,0,0,0|1,0,1]=4 2436 B13R1.42 CCCC(C)COc1cccnc1 34a_100000210849_100011216630 [0,1,1,0,0,0|2,0,0]=4 2437 B13R1.42 CCCC(C)COc1cccnc1 7a_100000210849_100011216630 [0,1,1,0,0,0|2,0,0]=4 2438 B13R1.42 CCCC(C)CSc1cccnc1 62a_100000210063_100011216630 [0,1,1,0,0,0|2,0,0]=4 2439 B13R1.42 CCCC(C)CSc1cccnc1 62a_100011216630_100000210063 [0,1,1,0,0,0|2,0,0]=4 2440 B13R1.42 CCCC(C)NCc1cccnc1 207a_100000741246_100000209961 [0,1,1,0,0,0|2,0,0]=4 2441 B13R1.42 CCCC(C)NCc1cccnc1 2230a_100000741246_100000741622 [0,1,1,0,0,0|2,0,0]=4 2442 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000210453_100000211909 [0,1,1,0,0,0|2,0,0]=4 2443 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000741246_100000209961 [0,1,1,0,0,0|2,0,0]=4 2444 B13R1.42 CCCC(C)OCc1cccnc1 34a_100000764384_100000733263 [0,1,1,0,0,0|2,0,0]=4 2445 B13R1.42 CCCC(C)OCc1cccnc1 7a_100000764384_100000741622 [0,1,1,0,0,0|2,0,0]=4 2446 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000741622_100000766640 [0,1,1,0,0,0|2,0,0]=4 2447 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000766640_100000741622 [0,1,1,0,0,0|2,0,0]=4 2448 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000747261_200011713674 [0,1,1,0,0,0|2,0,0]=4 2449 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000763209_100000210303 [0,1,1,0,0,0|2,0,0]=4 2450 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000747261_200011713674 [0,1,1,0,0,0|2,0,0]=4 2451 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000763209_100000210303 [0,1,1,0,0,0|2,0,0]=4 2452 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,1,1,0,0,0|1,0,1]=4 2453 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,1,1,0,0,0|1,0,1]=4 2454 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,1,1,0,0,0|1,0,1]=4 2455 B13R1.42 CNCC(=O)NCc1cccnc1 2230a_106832991635_100000752408 [0,1,1,0,0,0|1,0,1]=4 2456 B13R1.42 CNCC(=O)NCc1cccnc1 7a_106832991635_100000752408 [0,1,1,0,0,0|1,0,1]=4 2457 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,1,1,0,0,0|2,0,0]=4 2458 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,1,1,0,0,0|2,0,0]=4 2459 B13R1.42 CNNC(=O)CCc1cccnc1 22a_100016993582_100000198484 [0,1,1,0,0,0|1,0,1]=4 2460 B13R1.42 COCC(=O)CCc1cccnc1 1458a_100000210968_200011713674 [0,1,1,0,0,0|1,0,1]=4 2461 B13R1.42 COCC(C)NCc1cccnc1 270004a_100000210453_100000749346 [0,1,1,0,0,0|2,0,0]=4 2462 B13R1.42 COCC(C)SCc1cccnc1 62a_100000741622_100000765312 [0,1,1,0,0,0|2,0,0]=4 2463 B13R1.42 COCC(C)SCc1cccnc1 62a_100000765312_100000741622 [0,1,1,0,0,0|2,0,0]=4 2464 B13R1.42 COCC(O)COc1cccnc1 34a_100000210849_100011215053 [0,1,1,0,0,0|2,0,0]=4 2465 B13R1.42 COCC(O)COc1cccnc1 7a_100000210849_100011215053 [0,1,1,0,0,0|2,0,0]=4 2466 B13R1.42 COCC(O)CSc1cccnc1 62a_100000210063_100011215053 [0,1,1,0,0,0|2,0,0]=4 2467 B13R1.42 COCC(O)CSc1cccnc1 62a_100011215053_100000210063 [0,1,1,0,0,0|2,0,0]=4 2468 B13R1.42 COCN(C)CCc1cccnc1 2230a_100000763209_100000766300 [0,1,1,0,0,0|2,0,0]=4 2469 B13R1.42 COCN(C)CCc1cccnc1 269982a_100000763209_100000766300 [0,1,1,0,0,0|2,0,0]=4 2470 B13R1.42 COC[C@@H](C)NCc1cccnc1 207a_100000764878_100000209961 [0,1,1,0,0,0|2,0,0]=4 2471 B13R1.42 COC[C@@H](C)NCc1cccnc1 2230a_100000764878_100000741622 [0,1,1,0,0,0|2,0,0]=4 2472 B13R1.42 COC[C@@H](C)NCc1cccnc1 270004a_100000764878_100000209961 [0,1,1,0,0,0|2,0,0]=4 2473 B13R1.42 COC[C@@H](C)OCc1cccnc1 34a_100011934205_100000733263 [0,1,1,0,0,0|2,0,0]=4 2474 B13R1.42 CSCC(=O)CCc1cccnc1 1458a_100000184570_200011713674 [0,1,1,0,0,0|1,0,1]=4 2475 B13R1.42 CSCC(C)NCc1cccnc1 270004a_100000210453_100011216314 [0,1,1,0,0,0|2,0,0]=4 2476 B13R1.42 CSCN(C)CCc1cccnc1 2230a_100000763209_100011218213 [0,1,1,0,0,0|2,0,0]=4 2477 B13R1.42 CSCN(C)CCc1cccnc1 269982a_100000763209_100011218213 [0,1,1,0,0,0|2,0,0]=4 2478 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,1,1,0,0,0|2,0,0]=4 2479 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,1,1,0,0,0|2,0,0]=4 2480 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [0,1,1,0,0,0|1,0,1]=4 2481 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [0,1,1,0,0,0|1,0,1]=4 2482 B13R1.44 CCCCC(C)Oc1cccnc1 34a_100000210849_200011215066 [0,1,1,0,0,0|2,0,0]=4 2483 B13R1.44 CCCCC(C)Oc1cccnc1 7a_100000210849_200011215066 [0,1,1,0,0,0|2,0,0]=4 2484 B13R1.44 CCCCC(C)Sc1cccnc1 62a_100000210063_200011215066 [0,1,1,0,0,0|2,0,0]=4 2485 B13R1.44 CCCCC(C)Sc1cccnc1 62a_200011215066_100000210063 [0,1,1,0,0,0|2,0,0]=4 2486 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000184577_100000210211 [0,1,1,0,0,0|2,0,0]=4 2487 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000207549_100000741622 [0,1,1,0,0,0|2,0,0]=4 2488 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_200000200674_200000210301 [0,1,1,0,0,0|2,0,0]=4 2489 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000184577_100000210211 [0,1,1,0,0,0|2,0,0]=4 2490 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000207549_100000733263 [0,1,1,0,0,0|2,0,0]=4 2491 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_200000200674_200000210301 [0,1,1,0,0,0|2,0,0]=4 2492 B13R1.44 CCCCN(C)Cc1cccnc1 270004a_100000207549_100000209961 [0,1,1,0,0,0|2,0,0]=4 2493 B13R1.44 CCCCN([13CH3])Cc1cccnc1 2230a_200000200674_200025704644 [0,1,1,0,0,0|2,0,0]=4 2494 B13R1.44 CCCCN([13CH3])Cc1cccnc1 269982a_200000200674_200025704644 [0,1,1,0,0,0|2,0,0]=4 2495 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [0,1,1,0,0,0|2,0,0]=4 2496 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [0,1,1,0,0,0|2,0,0]=4 2497 B13R1.44 CNCCC(=O)Nc1cccnc1 2230a_106832991635_200015187043 [0,1,1,0,0,0|1,0,1]=4 2498 B13R1.44 CNCCC(=O)Nc1cccnc1 34a_100000748795_200000210301 [0,1,1,0,0,0|1,0,1]=4 2499 B13R1.44 CNCCC(=O)Nc1cccnc1 7a_106832991635_200015187043 [0,1,1,0,0,0|1,0,1]=4 2500 B13R1.44 CNCCN(C)Cc1ccccc1 2230a_106832991635_100015196923 [0,1,1,0,0,0|2,0,0]=4 2501 B13R1.44 CNCCN(C)Cc1ccccc1 34a_100102657272_100015196923 [0,1,1,0,0,0|2,0,0]=4 2502 B13R1.44 CNCCN(C)Cc1ccccc1 7a_106832991635_100015196923 [0,1,1,0,0,0|2,0,0]=4 2503 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000737805_100000233755 [0,1,1,0,0,0|1,0,1]=4 2504 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000749529_100000733263 [0,1,1,0,0,0|1,0,1]=4 2505 B13R1.44 COCCN(C)Cc1cccnc1 2230a_100000184577_100011201679 [0,1,1,0,0,0|2,0,0]=4 2506 B13R1.44 COCCN(C)Cc1cccnc1 2230a_100000200124_200000210301 [0,1,1,0,0,0|2,0,0]=4 2507 B13R1.44 COCCN(C)Cc1cccnc1 2230a_100000743101_100000741622 [0,1,1,0,0,0|2,0,0]=4 2508 B13R1.44 COCCN(C)Cc1cccnc1 269982a_100000184577_100000233755 [0,1,1,0,0,0|2,0,0]=4 2509 B13R1.44 COCCN(C)Cc1cccnc1 269982a_100000200124_200000210301 [0,1,1,0,0,0|2,0,0]=4 2510 B13R1.44 COCCN(C)Cc1cccnc1 269982a_100000743101_100000733263 [0,1,1,0,0,0|2,0,0]=4 2511 B13R1.44 COCCN(C)Cc1cccnc1 270004a_100000743101_100000209961 [0,1,1,0,0,0|2,0,0]=4 2512 B13R1.44 COCCN([13CH3])Cc1cccnc1 2230a_100000200124_200025704644 [0,1,1,0,0,0|2,0,0]=4 2513 B13R1.44 COCCN([13CH3])Cc1cccnc1 269982a_100000200124_200025704644 [0,1,1,0,0,0|2,0,0]=4 2514 B13R1.44 COCNC(C)Cc1cccnc1 2230a_100011207255_100000766300 [0,1,1,0,0,0|2,0,0]=4 2515 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000174002_100000733263 [0,1,1,0,0,0|1,0,1]=4 2516 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000737805_100000751147 [0,1,1,0,0,0|1,0,1]=4 2517 B13R1.44 CSCCN(C)Cc1cccnc1 2230a_100000184577_100000751147 [0,1,1,0,0,0|2,0,0]=4 2518 B13R1.44 CSCCN(C)Cc1cccnc1 2230a_100000686725_100000741622 [0,1,1,0,0,0|2,0,0]=4 2519 B13R1.44 CSCCN(C)Cc1cccnc1 269982a_100000184577_100000212216 [0,1,1,0,0,0|2,0,0]=4 2520 B13R1.44 CSCCN(C)Cc1cccnc1 269982a_100000686725_100000733263 [0,1,1,0,0,0|2,0,0]=4 2521 B13R1.44 CSCCN(C)Cc1cccnc1 270004a_100000686725_100000209961 [0,1,1,0,0,0|2,0,0]=4 2522 B13R1.44 CSCNC(C)Cc1cccnc1 2230a_100011207255_100011218213 [0,1,1,0,0,0|2,0,0]=4 2523 B13R1.44 [13CH3]NCCC(=O)Nc1cccnc1 34a_100000748795_200025704644 [0,1,1,0,0,0|1,0,1]=4 2524 B13R1.337 C=C(C)CCOCc1cccnc1 34a_100000764851_100000733263 [0,1,1,0,0,0|2,0,0]=4 2525 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000730704_100000741622 [0,1,1,0,0,0|2,0,0]=4 2526 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000741622_100000730704 [0,1,1,0,0,0|2,0,0]=4 2527 B13R1.337 C=C(C)CNCCc1cccnc1 2230a_100000736294_100000748629 [0,1,1,0,0,0|2,0,0]=4 2528 B13R1.337 C=C(C)COCCc1cccnc1 34a_100011217484_100000748629 [0,1,1,0,0,0|2,0,0]=4 2529 B13R1.337 C=C(C)CSCCc1cccnc1 62a_100000748629_200011713674 [0,1,1,0,0,0|2,0,0]=4 2530 B13R1.337 C=C(C)CSCCc1cccnc1 62a_200011713674_100000211660 [0,1,1,0,0,0|2,0,0]=4 2531 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,1,1,0,0,0|2,0,0]=4 2532 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,1,1,0,0,0|2,0,0]=4 2533 B13R1.337 CC(=O)CCCOc1cccnc1 34a_100000210849_100000685027 [0,1,1,0,0,0|2,0,0]=4 2534 B13R1.337 CC(=O)CCCOc1cccnc1 7a_100000210849_100011215641 [0,1,1,0,0,0|2,0,0]=4 2535 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100000210063_100011215641 [0,1,1,0,0,0|2,0,0]=4 2536 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100011215641_100000210063 [0,1,1,0,0,0|2,0,0]=4 2537 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [0,1,1,0,0,0|2,0,0]=4 2538 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [0,1,1,0,0,0|2,0,0]=4 2539 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [0,1,1,0,0,0|2,0,0]=4 2540 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [0,1,1,0,0,0|2,0,0]=4 2541 B13R1.337 CC(=O)NCCCc1cccnc1 11a_100011532358_100015343762 [0,1,1,0,0,0|2,0,0]=4 2542 B13R1.337 CC(=O)NCCCc1cccnc1 240690a_100011532358_100015343762 [0,1,1,0,0,0|2,0,0]=4 2543 B13R1.337 CC(Br)CCOCc1cccnc1 34a_100009893172_100000733263 [0,1,1,0,0,0|2,0,0]=4 2544 B13R1.337 CC(C)CCCOc1cccnc1 34a_100000210849_100011214892 [0,1,1,0,0,0|2,0,0]=4 2545 B13R1.337 CC(C)CCCOc1cccnc1 7a_100000210849_100011214892 [0,1,1,0,0,0|2,0,0]=4 2546 B13R1.337 CC(C)CCCSc1cccnc1 62a_100000210063_100011214892 [0,1,1,0,0,0|2,0,0]=4 2547 B13R1.337 CC(C)CCCSc1cccnc1 62a_100011214892_100000210063 [0,1,1,0,0,0|2,0,0]=4 2548 B13R1.337 CC(C)CCNCc1cccnc1 207a_100000210545_100000209961 [0,1,1,0,0,0|2,0,0]=4 2549 B13R1.337 CC(C)CCNCc1cccnc1 269862a_100000210453_100000185833 [0,1,1,0,0,0|2,0,0]=4 2550 B13R1.337 CC(C)CCNCc1cccnc1 270004a_100000210545_100000209961 [0,1,1,0,0,0|2,0,0]=4 2551 B13R1.337 CC(C)CCOCc1cccnc1 34a_100000210254_100000733263 [0,1,1,0,0,0|2,0,0]=4 2552 B13R1.337 CC(C)CCOCc1cccnc1 7a_100000210254_100000741622 [0,1,1,0,0,0|2,0,0]=4 2553 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000210312_100000741622 [0,1,1,0,0,0|2,0,0]=4 2554 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000741622_100000210312 [0,1,1,0,0,0|2,0,0]=4 2555 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000210953_200011713674 [0,1,1,0,0,0|2,0,0]=4 2556 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000736294_100000210760 [0,1,1,0,0,0|2,0,0]=4 2557 B13R1.337 CC(C)CNCCc1cccnc1 270004a_100000736294_100000210432 [0,1,1,0,0,0|2,0,0]=4 2558 B13R1.337 CC(C)COCCc1cccnc1 34a_100011217484_100000210624 [0,1,1,0,0,0|2,0,0]=4 2559 B13R1.337 CC(C)CSCCc1cccnc1 62a_100000210624_200011713674 [0,1,1,0,0,0|2,0,0]=4 2560 B13R1.337 CC(C)CSCCc1cccnc1 62a_200011713674_100000210760 [0,1,1,0,0,0|2,0,0]=4 2561 B13R1.337 CC(C)NCCCc1cccnc1 2230a_100011532358_100000210206 [0,1,1,0,0,0|2,0,0]=4 2562 B13R1.337 CC(C)NCCCc1cccnc1 34a_100011532358_100000210206 [0,1,1,0,0,0|2,0,0]=4 2563 B13R1.337 CC(C)OCCCc1cccnc1 34a_100000211284_100000210206 [0,1,1,0,0,0|2,0,0]=4 2564 B13R1.337 CC(O)CCCOc1cccnc1 34a_100000210849_200000718107 [0,1,1,0,0,0|2,0,0]=4 2565 B13R1.337 CC(O)CCCOc1cccnc1 7a_100000210849_200000718107 [0,1,1,0,0,0|2,0,0]=4 2566 B13R1.337 CC(O)CCCSc1cccnc1 62a_100000210063_200000718107 [0,1,1,0,0,0|2,0,0]=4 2567 B13R1.337 CC(O)CCCSc1cccnc1 62a_200000718107_100000210063 [0,1,1,0,0,0|2,0,0]=4 2568 B13R1.337 CC(O)CCNCc1cccnc1 207a_200000755665_100000209961 [0,1,1,0,0,0|2,0,0]=4 2569 B13R1.337 CC(O)CCNCc1cccnc1 2230a_200000755665_100000741622 [0,1,1,0,0,0|2,0,0]=4 2570 B13R1.337 CC(O)CCNCc1cccnc1 270004a_200000755665_100000209961 [0,1,1,0,0,0|2,0,0]=4 2571 B13R1.337 CC(O)CCSCc1cccnc1 62a_100000741622_100012276601 [0,1,1,0,0,0|2,0,0]=4 2572 B13R1.337 CC(O)CCSCc1cccnc1 62a_100012276601_100000741622 [0,1,1,0,0,0|2,0,0]=4 2573 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000210904_200011713674 [0,1,1,0,0,0|2,0,0]=4 2574 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000736294_100011218427 [0,1,1,0,0,0|2,0,0]=4 2575 B13R1.337 CC(O)COCCc1cccnc1 34a_100011217484_100011218427 [0,1,1,0,0,0|2,0,0]=4 2576 B13R1.337 CC(O)CSCCc1cccnc1 62a_100011218427_200011713674 [0,1,1,0,0,0|2,0,0]=4 2577 B13R1.337 CC(O)CSCCc1cccnc1 62a_200011713674_100011218427 [0,1,1,0,0,0|2,0,0]=4 2578 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [0,1,1,0,0,0|1,0,0]=3 2579 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [0,1,1,0,0,0|1,0,0]=3 2580 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [0,1,1,0,0,0|1,0,0]=3 2581 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [0,1,1,0,0,0|1,0,0]=3 2582 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [0,1,1,0,0,0|1,0,0]=3 2583 B13R1.337 CN(C)CCCCc1ccncc1 2230a_100102631434_100020630000 [0,1,1,0,0,0|2,0,0]=4 2584 B13R1.337 CN(C)CCCCc1ccncc1 269982a_100102631434_100020630000 [0,1,1,0,0,0|2,0,0]=4 2585 B13R1.337 CN(C)CCCNc1cccnn1 27a_102531767803_100016991348 [0,1,1,0,0,0|2,0,0]=4 2586 B13R1.337 CN(C)CCCNc1cnccn1 27a_102531767803_100000211759 [0,1,1,0,0,0|2,0,0]=4 2587 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [0,1,1,0,0,0|2,0,0]=4 2588 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [0,1,1,0,0,0|2,0,0]=4 2589 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [0,1,1,0,0,0|2,0,0]=4 2590 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [0,1,1,0,0,0|2,0,0]=4 2591 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [0,1,1,0,0,0|2,0,0]=4 2592 B13R1.337 CN(C)CCCOc1cccnc1 7a_100000210849_100000757444 [0,1,1,0,0,0|1,0,0]=3 2593 B13R1.337 CN(C)CCCOc1cncnc1 7a_100000754086_100000757444 [0,1,1,0,0,0|2,0,0]=4 2594 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100015183843_200000210301 [0,1,1,0,0,0|2,0,0]=4 2595 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100102631434_200011203293 [0,1,1,0,0,0|2,0,0]=4 2596 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100015183843_200000210301 [0,1,1,0,0,0|2,0,0]=4 2597 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100102631434_200011203293 [0,1,1,0,0,0|2,0,0]=4 2598 B13R1.337 CN(C)CCCSc1ccccc1 62a_100000719477_100000757444 [0,1,1,0,0,0|2,0,0]=4 2599 B13R1.337 CN(C)CCCSc1cccnc1 62a_100000210063_100000757444 [0,1,1,0,0,0|1,0,0]=3 2600 B13R1.337 CN(C)CCCSc1cccnn1 62a_100016991348_100000757444 [0,1,1,0,0,0|2,0,0]=4 2601 B13R1.337 CN(C)CCCSc1ccnnc1 62a_100000732662_100000757444 [0,1,1,0,0,0|2,0,0]=4 2602 B13R1.337 CN(C)CCCSc1cnccn1 62a_100000211759_100000757444 [0,1,1,0,0,0|2,0,0]=4 2603 B13R1.337 CN(C)CCCSc1cncnc1 62a_100011206942_100000757444 [0,1,1,0,0,0|2,0,0]=4 2604 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [0,1,1,0,0,0|2,0,0]=4 2605 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [0,1,1,0,0,0|2,0,0]=4 2606 B13R1.337 CN(C)CCNCc1cccnc1 207a_100000210585_100000209961 [0,1,1,0,0,0|1,0,0]=3 2607 B13R1.337 CN(C)CCNCc1cccnc1 270004a_100000210585_100000209961 [0,1,1,0,0,0|1,0,0]=3 2608 B13R1.337 CN(C)CCNCc1ccnnc1 270004a_100000210585_100011934578 [0,1,1,0,0,0|2,0,0]=4 2609 B13R1.337 CN(C)CCNCc1cnccn1 270004a_100000210585_100000749867 [0,1,1,0,0,0|2,0,0]=4 2610 B13R1.337 CN(C)CCNCc1cncnc1 270004a_100000210585_100000749868 [0,1,1,0,0,0|2,0,0]=4 2611 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [0,1,1,0,0,0|2,0,0]=4 2612 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [0,1,1,0,0,0|2,0,0]=4 2613 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [0,1,1,0,0,0|2,0,0]=4 2614 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [0,1,1,0,0,0|2,0,0]=4 2615 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [0,1,1,0,0,0|2,0,0]=4 2616 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [0,1,1,0,0,0|2,0,0]=4 2617 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [0,1,1,0,0,0|2,0,0]=4 2618 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [0,1,1,0,0,0|2,0,0]=4 2619 B13R1.337 CN(C)CCSCc1cccnc1 62a_100000741622_100000755713 [0,1,1,0,0,0|1,0,0]=3 2620 B13R1.337 CN(C)CCSCc1cccnn1 62a_100016990269_100000755713 [0,1,1,0,0,0|2,0,0]=4 2621 B13R1.337 CN(C)CCSCc1cnccn1 62a_100016995436_100000755713 [0,1,1,0,0,0|2,0,0]=4 2622 B13R1.337 CN(C)CCSCc1cncnc1 62a_100015196519_100000755713 [0,1,1,0,0,0|2,0,0]=4 2623 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [0,1,1,0,0,0|1,0,0]=3 2624 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [0,1,1,0,0,0|1,0,0]=3 2625 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [0,1,1,0,0,0|1,0,0]=3 2626 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [0,1,1,0,0,0|2,0,0]=4 2627 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [0,1,1,0,0,0|2,0,0]=4 2628 B13R1.337 CN([13CH3])CCCSc1ccccc1 2230a_100015183843_200025704644 [0,1,1,0,0,0|2,0,0]=4 2629 B13R1.337 CN([13CH3])CCCSc1ccccc1 269982a_100015183843_200025704644 [0,1,1,0,0,0|2,0,0]=4 2630 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [0,1,1,0,0,0|2,0,0]=4 2631 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [0,1,1,0,0,0|2,0,0]=4 2632 B13R1.337 C[C@@H](N)CCOCc1cccnc1 34a_100000706166_100000733263 [0,1,1,0,0,0|2,0,0]=4 2633 B13R1.337 C[C@@H](O)CNCCc1cccnc1 2230a_100000736294_100009817552 [0,1,1,0,0,0|2,0,0]=4 2634 B13R1.337 C[C@@H](O)COCCc1cccnc1 34a_100011217484_100009817552 [0,1,1,0,0,0|2,0,0]=4 2635 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_100009817552_200011713674 [0,1,1,0,0,0|2,0,0]=4 2636 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_200011713674_100009817552 [0,1,1,0,0,0|2,0,0]=4 2637 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,1,1,0,0,0|2,0,0]=4 2638 B13R1.555 CCCCCOc1cccnc1Br 34a_100000744436_100000718602 [0,1,1,0,0,0|2,0,0]=4 2639 B13R1.555 CCCCCOc1cccnc1Br 7a_100000744436_100000210326 [0,1,1,0,0,0|2,0,0]=4 2640 B13R1.555 CCCCCOc1cccnc1C 34a_100000745507_100000718602 [0,1,1,0,0,0|2,0,0]=4 2641 B13R1.555 CCCCCOc1cccnc1C 7a_100000745507_100000210326 [0,1,1,0,0,0|2,0,0]=4 2642 B13R1.555 CCCCCOc1cccnc1Cl 34a_100000757616_100000718602 [0,1,1,0,0,0|2,0,0]=4 2643 B13R1.555 CCCCCOc1cccnc1Cl 7a_100000757616_100000210326 [0,1,1,0,0,0|2,0,0]=4 2644 B13R1.555 CCCCCOc1cccnc1F 34a_100000061740_100000718602 [0,1,1,0,0,0|2,0,0]=4 2645 B13R1.555 CCCCCOc1cccnc1F 7a_100000061740_100000210326 [0,1,1,0,0,0|2,0,0]=4 2646 B13R1.555 CCCCCOc1cccnc1I 34a_100000034122_100000718602 [0,1,1,0,0,0|2,0,0]=4 2647 B13R1.555 CCCCCOc1cccnc1I 7a_100000034122_100000210326 [0,1,1,0,0,0|2,0,0]=4 2648 B13R1.555 CCCCCOc1cccnc1N 34a_100000211975_100000718602 [0,1,1,0,0,0|2,0,0]=4 2649 B13R1.555 CCCCCOc1cccnc1N 7a_100000211975_100000210326 [0,1,1,0,0,0|2,0,0]=4 2650 B13R1.555 CCCCCOc1cnccc1C 34a_100011997053_100000718602 [0,1,1,0,0,0|2,0,0]=4 2651 B13R1.555 CCCCCOc1cnccc1C 7a_100011997053_100000210326 [0,1,1,0,0,0|2,0,0]=4 2652 B13R1.555 CCCCCOc1cnccc1Cl 34a_100011996695_100000718602 [0,1,1,0,0,0|2,0,0]=4 2653 B13R1.555 CCCCCOc1cnccc1I 34a_100000050107_100000718602 [0,1,1,0,0,0|2,0,0]=4 2654 B13R1.555 CCCCCOc1cnccc1N 34a_100000753702_100000718602 [0,1,1,0,0,0|2,0,0]=4 2655 B13R1.555 CCCCCSc1cccnc1Br 62a_100000210326_100010202626 [0,1,1,0,0,0|2,0,0]=4 2656 B13R1.555 CCCCCSc1cccnc1Br 62a_100010202626_100000210326 [0,1,1,0,0,0|2,0,0]=4 2657 B13R1.555 CCCCCSc1cccnc1C 62a_100000210326_100000751574 [0,1,1,0,0,0|2,0,0]=4 2658 B13R1.555 CCCCCSc1cccnc1C 62a_100000751574_100000210326 [0,1,1,0,0,0|2,0,0]=4 2659 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000036424_100000210326 [0,1,1,0,0,0|2,0,0]=4 2660 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000210326_100000036424 [0,1,1,0,0,0|2,0,0]=4 2661 B13R1.555 CCCCCSc1cccnc1F 62a_100000210326_100009816115 [0,1,1,0,0,0|2,0,0]=4 2662 B13R1.555 CCCCCSc1cccnc1F 62a_100009816115_100000210326 [0,1,1,0,0,0|2,0,0]=4 2663 B13R1.555 CCCCCSc1cccnc1N 62a_100000045569_100000210326 [0,1,1,0,0,0|2,0,0]=4 2664 B13R1.555 CCCCCSc1cccnc1N 62a_100000210326_100000045569 [0,1,1,0,0,0|2,0,0]=4 2665 B13R1.555 CCCCCSc1cccnc1O 62a_100000210326_100000760158 [0,1,1,0,0,0|2,0,0]=4 2666 B13R1.555 CCCCCSc1cccnc1O 62a_100000760158_100000210326 [0,1,1,0,0,0|2,0,0]=4 2667 B13R1.555 CCCCCSc1cnccc1Br 62a_100000210326_100010138639 [0,1,1,0,0,0|2,0,0]=4 2668 B13R1.555 CCCCCSc1cnccc1Br 62a_100010138639_100000210326 [0,1,1,0,0,0|2,0,0]=4 2669 B13R1.555 CCCCCSc1cnccc1C 62a_100000210326_100000761580 [0,1,1,0,0,0|2,0,0]=4 2670 B13R1.555 CCCCCSc1cnccc1C 62a_100000761580_100000210326 [0,1,1,0,0,0|2,0,0]=4 2671 B13R1.555 CCCCCSc1cnccc1Cl 62a_100000210326_100009995489 [0,1,1,0,0,0|2,0,0]=4 2672 B13R1.555 CCCCCSc1cnccc1Cl 62a_100009995489_100000210326 [0,1,1,0,0,0|2,0,0]=4 2673 B13R1.555 CCCCCSc1cnccc1F 62a_100000210326_100009820683 [0,1,1,0,0,0|2,0,0]=4 2674 B13R1.555 CCCCCSc1cnccc1F 62a_100009820683_100000210326 [0,1,1,0,0,0|2,0,0]=4 2675 B13R1.555 CCCCCSc1cnccc1N 62a_100000047001_100000210326 [0,1,1,0,0,0|2,0,0]=4 2676 B13R1.555 CCCCCSc1cnccc1N 62a_100000210326_100000047001 [0,1,1,0,0,0|2,0,0]=4 2677 B13R1.555 CCCCNCc1cccnc1Br 2230a_100000102301_100010140945 [0,1,1,0,0,0|2,0,0]=4 2678 B13R1.555 CCCCNCc1cccnc1Br 2230a_100009818023_100000210211 [0,1,1,0,0,0|2,0,0]=4 2679 B13R1.555 CCCCNCc1cccnc1Br 34a_100009818023_100000210210 [0,1,1,0,0,0|2,0,0]=4 2680 B13R1.555 CCCCNCc1cccnc1Br 7a_106832991798_100010140945 [0,1,1,0,0,0|2,0,0]=4 2681 B13R1.555 CCCCNCc1cccnc1C 207a_100000102301_100000751968 [0,1,1,0,0,0|2,0,0]=4 2682 B13R1.555 CCCCNCc1cccnc1C 2230a_100000102301_100000732876 [0,1,1,0,0,0|2,0,0]=4 2683 B13R1.555 CCCCNCc1cccnc1C 270004a_100000102301_100000751968 [0,1,1,0,0,0|2,0,0]=4 2684 B13R1.555 CCCCNCc1cccnc1C 7a_106832991798_100000732876 [0,1,1,0,0,0|2,0,0]=4 2685 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100000102301_100000045678 [0,1,1,0,0,0|2,0,0]=4 2686 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100015189234_100000210211 [0,1,1,0,0,0|2,0,0]=4 2687 B13R1.555 CCCCNCc1cccnc1Cl 34a_100015189234_100000210210 [0,1,1,0,0,0|2,0,0]=4 2688 B13R1.555 CCCCNCc1cccnc1Cl 7a_106832991798_100000045678 [0,1,1,0,0,0|2,0,0]=4 2689 B13R1.555 CCCCNCc1cccnc1F 2230a_100000102301_100000099810 [0,1,1,0,0,0|2,0,0]=4 2690 B13R1.555 CCCCNCc1cccnc1F 34a_100000724633_100000210210 [0,1,1,0,0,0|2,0,0]=4 2691 B13R1.555 CCCCNCc1cccnc1F 7a_106832991798_100000099810 [0,1,1,0,0,0|2,0,0]=4 2692 B13R1.555 CCCCNCc1cccnc1O 207a_100000102301_100011998315 [0,1,1,0,0,0|2,0,0]=4 2693 B13R1.555 CCCCNCc1cccnc1O 270004a_100000102301_100011998315 [0,1,1,0,0,0|2,0,0]=4 2694 B13R1.555 CCCCNCc1cnccc1Br 270004a_100000102301_100009816821 [0,1,1,0,0,0|2,0,0]=4 2695 B13R1.555 CCCCNCc1cnccc1C 207a_100000102301_100000685662 [0,1,1,0,0,0|2,0,0]=4 2696 B13R1.555 CCCCNCc1cnccc1C 2230a_100000102301_100000690890 [0,1,1,0,0,0|2,0,0]=4 2697 B13R1.555 CCCCNCc1cnccc1C 270004a_100000102301_100000685662 [0,1,1,0,0,0|2,0,0]=4 2698 B13R1.555 CCCCNCc1cnccc1C 7a_106832991798_100000690890 [0,1,1,0,0,0|2,0,0]=4 2699 B13R1.555 CCCCNCc1cnccc1Cl 270004a_100000102301_100000050567 [0,1,1,0,0,0|2,0,0]=4 2700 B13R1.555 CCCCOCc1cccnc1Br 34a_100000210227_100010140945 [0,1,1,0,0,0|2,0,0]=4 2701 B13R1.555 CCCCOCc1cccnc1Br 34a_100000719692_100000210210 [0,1,1,0,0,0|2,0,0]=4 2702 B13R1.555 CCCCOCc1cccnc1Br 7a_100000210227_100010140945 [0,1,1,0,0,0|2,0,0]=4 2703 B13R1.555 CCCCOCc1cccnc1Br 7a_100000719692_100000210211 [0,1,1,0,0,0|2,0,0]=4 2704 B13R1.555 CCCCOCc1cccnc1C 34a_100000210227_100000732876 [0,1,1,0,0,0|2,0,0]=4 2705 B13R1.555 CCCCOCc1cccnc1C 34a_100000729262_100000210210 [0,1,1,0,0,0|2,0,0]=4 2706 B13R1.555 CCCCOCc1cccnc1C 7a_100000210227_100000732876 [0,1,1,0,0,0|2,0,0]=4 2707 B13R1.555 CCCCOCc1cccnc1C 7a_100000729262_100000210211 [0,1,1,0,0,0|2,0,0]=4 2708 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000210227_100000045678 [0,1,1,0,0,0|2,0,0]=4 2709 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000748726_100000210210 [0,1,1,0,0,0|2,0,0]=4 2710 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000210227_100000045678 [0,1,1,0,0,0|2,0,0]=4 2711 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000748726_100000210211 [0,1,1,0,0,0|2,0,0]=4 2712 B13R1.555 CCCCOCc1cccnc1F 34a_100000079888_100000210210 [0,1,1,0,0,0|2,0,0]=4 2713 B13R1.555 CCCCOCc1cccnc1F 34a_100000210227_100000099810 [0,1,1,0,0,0|2,0,0]=4 2714 B13R1.555 CCCCOCc1cccnc1F 7a_100000079888_100000210211 [0,1,1,0,0,0|2,0,0]=4 2715 B13R1.555 CCCCOCc1cccnc1F 7a_100000210227_100000099810 [0,1,1,0,0,0|2,0,0]=4 2716 B13R1.555 CCCCOCc1cnccc1C 34a_100000210227_100000690890 [0,1,1,0,0,0|2,0,0]=4 2717 B13R1.555 CCCCOCc1cnccc1C 34a_100011996381_100000210210 [0,1,1,0,0,0|2,0,0]=4 2718 B13R1.555 CCCCOCc1cnccc1C 7a_100000210227_100000690890 [0,1,1,0,0,0|2,0,0]=4 2719 B13R1.555 CCCCOCc1cnccc1Cl 34a_100000117392_100000210210 [0,1,1,0,0,0|2,0,0]=4 2720 B13R1.555 CCCCSCc1cccnc1Br 62a_100000210211_100010140945 [0,1,1,0,0,0|2,0,0]=4 2721 B13R1.555 CCCCSCc1cccnc1Br 62a_100010140945_100000210210 [0,1,1,0,0,0|2,0,0]=4 2722 B13R1.555 CCCCSCc1cccnc1C 62a_100000210211_100000732876 [0,1,1,0,0,0|2,0,0]=4 2723 B13R1.555 CCCCSCc1cccnc1C 62a_100000732876_100000210210 [0,1,1,0,0,0|2,0,0]=4 2724 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000045678_100000210210 [0,1,1,0,0,0|2,0,0]=4 2725 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000210211_100000045678 [0,1,1,0,0,0|2,0,0]=4 2726 B13R1.555 CCCCSCc1cccnc1F 62a_100000099810_100000210210 [0,1,1,0,0,0|2,0,0]=4 2727 B13R1.555 CCCCSCc1cccnc1F 62a_100000210211_100000099810 [0,1,1,0,0,0|2,0,0]=4 2728 B13R1.555 CCCCSCc1cnccc1C 62a_100000210211_100000690890 [0,1,1,0,0,0|2,0,0]=4 2729 B13R1.555 CCCCSCc1cnccc1C 62a_100000690890_100000210210 [0,1,1,0,0,0|2,0,0]=4 2730 B13R1.555 CNCCCOc1ccccc1Br 2230a_106832991635_200011259276 [0,1,1,0,0,0|2,0,0]=4 2731 B13R1.555 CNCCCOc1ccccc1Br 34a_100102657272_200011259276 [0,1,1,0,0,0|2,0,0]=4 2732 B13R1.555 CNCCCOc1ccccc1Br 7a_106832991635_200011259276 [0,1,1,0,0,0|2,0,0]=4 2733 B13R1.555 CNCCCOc1ccccc1C 2230a_106633784460_200000210301 [0,1,1,0,0,0|2,0,0]=4 2734 B13R1.555 CNCCCOc1ccccc1C 2230a_106832991635_100000742659 [0,1,1,0,0,0|2,0,0]=4 2735 B13R1.555 CNCCCOc1ccccc1C 34a_100102657272_100000742659 [0,1,1,0,0,0|2,0,0]=4 2736 B13R1.555 CNCCCOc1ccccc1C 34a_106633784460_200000210301 [0,1,1,0,0,0|2,0,0]=4 2737 B13R1.555 CNCCCOc1ccccc1C 7a_106832991635_100000742659 [0,1,1,0,0,0|2,0,0]=4 2738 B13R1.555 CNCCCOc1ccccc1F 2230a_100000707858_200000210301 [0,1,1,0,0,0|2,0,0]=4 2739 B13R1.555 CNCCCOc1ccccc1F 2230a_106832991635_100011203253 [0,1,1,0,0,0|2,0,0]=4 2740 B13R1.555 CNCCCOc1ccccc1F 34a_100000707858_200000210301 [0,1,1,0,0,0|2,0,0]=4 2741 B13R1.555 CNCCCOc1ccccc1F 34a_100102657272_100011203253 [0,1,1,0,0,0|2,0,0]=4 2742 B13R1.555 CNCCCOc1ccccc1F 7a_106832991635_100011203253 [0,1,1,0,0,0|2,0,0]=4 2743 B13R1.555 CNCCCOc1ccccc1O 271570a_203496583355_100015186278 [0,1,1,0,0,0|2,0,0]=4 2744 B13R1.555 CNCCCSc1ccccc1Cl 2230a_106832991635_100000750589 [0,1,1,0,0,0|2,0,0]=4 2745 B13R1.555 CNCCCSc1ccccc1Cl 34a_100102657272_100000750589 [0,1,1,0,0,0|2,0,0]=4 2746 B13R1.555 CNCCCSc1ccccc1Cl 7a_106832991635_100000750589 [0,1,1,0,0,0|2,0,0]=4 2747 B13R1.555 CNCCOCc1ccccc1Cl 2230a_100000745786_200000210301 [0,1,1,0,0,0|2,0,0]=4 2748 B13R1.555 CNCCOCc1ccccc1Cl 34a_100000745786_200000210301 [0,1,1,0,0,0|2,0,0]=4 2749 B13R1.555 CNCCSCc1ccccc1C 2230a_200000189569_200000210301 [0,1,1,0,0,0|2,0,0]=4 2750 B13R1.555 CNCCSCc1ccccc1C 34a_200000189569_200000210301 [0,1,1,0,0,0|2,0,0]=4 2751 B13R1.555 CNCCSCc1ccccc1C 7a_200000189569_200000210301 [0,1,1,0,0,0|2,0,0]=4 2752 B13R1.555 CNCCSCc1ccccc1Cl 2230a_100011219180_200000210301 [0,1,1,0,0,0|2,0,0]=4 2753 B13R1.555 CNCCSCc1ccccc1Cl 34a_100011219180_200000210301 [0,1,1,0,0,0|2,0,0]=4 2754 B13R1.555 CNCCSCc1ccccc1Cl 7a_100011219180_200000210301 [0,1,1,0,0,0|2,0,0]=4 2755 B13R1.555 COCCCCc1ccccc1Br 34a_100012092669_200000210301 [0,1,1,0,0,0|2,0,0]=4 2756 B13R1.555 COCCCCc1ccccc1Br 7a_100012092669_200000210301 [0,1,1,0,0,0|2,0,0]=4 2757 B13R1.555 COCCCOc1cccnc1Br 34a_100000744436_100000740836 [0,1,1,0,0,0|2,0,0]=4 2758 B13R1.555 COCCCOc1cccnc1Br 7a_100000744436_100000740836 [0,1,1,0,0,0|2,0,0]=4 2759 B13R1.555 COCCCOc1cccnc1C 34a_100000745507_100000740836 [0,1,1,0,0,0|2,0,0]=4 2760 B13R1.555 COCCCOc1cccnc1C 7a_100000745507_100000740836 [0,1,1,0,0,0|2,0,0]=4 2761 B13R1.555 COCCCOc1cccnc1Cl 34a_100000757616_100000740836 [0,1,1,0,0,0|2,0,0]=4 2762 B13R1.555 COCCCOc1cccnc1Cl 7a_100000757616_100000740836 [0,1,1,0,0,0|2,0,0]=4 2763 B13R1.555 COCCCOc1cccnc1F 34a_100000061740_100000740836 [0,1,1,0,0,0|2,0,0]=4 2764 B13R1.555 COCCCOc1cccnc1F 7a_100000061740_100000740836 [0,1,1,0,0,0|2,0,0]=4 2765 B13R1.555 COCCCOc1cccnc1I 34a_100000034122_100000740836 [0,1,1,0,0,0|2,0,0]=4 2766 B13R1.555 COCCCOc1cccnc1I 7a_100000034122_100000740836 [0,1,1,0,0,0|2,0,0]=4 2767 B13R1.555 COCCCOc1cccnc1N 34a_100000211975_100000740836 [0,1,1,0,0,0|2,0,0]=4 2768 B13R1.555 COCCCOc1cccnc1N 7a_100000211975_100000740836 [0,1,1,0,0,0|2,0,0]=4 2769 B13R1.555 COCCCOc1cnccc1C 34a_100011997053_100000740836 [0,1,1,0,0,0|2,0,0]=4 2770 B13R1.555 COCCCOc1cnccc1C 7a_100011997053_100000740836 [0,1,1,0,0,0|2,0,0]=4 2771 B13R1.555 COCCCOc1cnccc1Cl 34a_100011996695_100000740836 [0,1,1,0,0,0|2,0,0]=4 2772 B13R1.555 COCCCOc1cnccc1I 34a_100000050107_100000740836 [0,1,1,0,0,0|2,0,0]=4 2773 B13R1.555 COCCCOc1cnccc1N 34a_100000753702_100000740836 [0,1,1,0,0,0|2,0,0]=4 2774 B13R1.555 COCCCSc1cccnc1Br 62a_100000709357_100010202626 [0,1,1,0,0,0|2,0,0]=4 2775 B13R1.555 COCCCSc1cccnc1Br 62a_100010202626_100000709357 [0,1,1,0,0,0|2,0,0]=4 2776 B13R1.555 COCCCSc1cccnc1C 62a_100000709357_100000751574 [0,1,1,0,0,0|2,0,0]=4 2777 B13R1.555 COCCCSc1cccnc1C 62a_100000751574_100000709357 [0,1,1,0,0,0|2,0,0]=4 2778 B13R1.555 COCCCSc1cccnc1Cl 62a_100000036424_100000709357 [0,1,1,0,0,0|2,0,0]=4 2779 B13R1.555 COCCCSc1cccnc1Cl 62a_100000709357_100000036424 [0,1,1,0,0,0|2,0,0]=4 2780 B13R1.555 COCCCSc1cccnc1F 62a_100000709357_100009816115 [0,1,1,0,0,0|2,0,0]=4 2781 B13R1.555 COCCCSc1cccnc1F 62a_100009816115_100000709357 [0,1,1,0,0,0|2,0,0]=4 2782 B13R1.555 COCCCSc1cccnc1N 62a_100000045569_100000709357 [0,1,1,0,0,0|2,0,0]=4 2783 B13R1.555 COCCCSc1cccnc1N 62a_100000709357_100000045569 [0,1,1,0,0,0|2,0,0]=4 2784 B13R1.555 COCCCSc1cccnc1O 62a_100000709357_100000760158 [0,1,1,0,0,0|2,0,0]=4 2785 B13R1.555 COCCCSc1cccnc1O 62a_100000760158_100000709357 [0,1,1,0,0,0|2,0,0]=4 2786 B13R1.555 COCCCSc1cnccc1Br 62a_100000709357_100010138639 [0,1,1,0,0,0|2,0,0]=4 2787 B13R1.555 COCCCSc1cnccc1Br 62a_100010138639_100000709357 [0,1,1,0,0,0|2,0,0]=4 2788 B13R1.555 COCCCSc1cnccc1C 62a_100000709357_100000761580 [0,1,1,0,0,0|2,0,0]=4 2789 B13R1.555 COCCCSc1cnccc1C 62a_100000761580_100000709357 [0,1,1,0,0,0|2,0,0]=4 2790 B13R1.555 COCCCSc1cnccc1Cl 62a_100000709357_100009995489 [0,1,1,0,0,0|2,0,0]=4 2791 B13R1.555 COCCCSc1cnccc1Cl 62a_100009995489_100000709357 [0,1,1,0,0,0|2,0,0]=4 2792 B13R1.555 COCCCSc1cnccc1F 62a_100000709357_100009820683 [0,1,1,0,0,0|2,0,0]=4 2793 B13R1.555 COCCCSc1cnccc1F 62a_100009820683_100000709357 [0,1,1,0,0,0|2,0,0]=4 2794 B13R1.555 COCCCSc1cnccc1N 62a_100000047001_100000709357 [0,1,1,0,0,0|2,0,0]=4 2795 B13R1.555 COCCCSc1cnccc1N 62a_100000709357_100000047001 [0,1,1,0,0,0|2,0,0]=4 2796 B13R1.555 COCCNCc1cccnc1Br 2230a_100000209980_100010140945 [0,1,1,0,0,0|2,0,0]=4 2797 B13R1.555 COCCNCc1cccnc1Br 2230a_100009818023_100011201679 [0,1,1,0,0,0|2,0,0]=4 2798 B13R1.555 COCCNCc1cccnc1Br 34a_100009818023_100011201679 [0,1,1,0,0,0|2,0,0]=4 2799 B13R1.555 COCCNCc1cccnc1C 207a_100000209980_100000751968 [0,1,1,0,0,0|2,0,0]=4 2800 B13R1.555 COCCNCc1cccnc1C 2230a_100000209980_100000732876 [0,1,1,0,0,0|2,0,0]=4 2801 B13R1.555 COCCNCc1cccnc1C 270004a_100000209980_100000751968 [0,1,1,0,0,0|2,0,0]=4 2802 B13R1.555 COCCNCc1cccnc1Cl 2230a_100000209980_100000045678 [0,1,1,0,0,0|2,0,0]=4 2803 B13R1.555 COCCNCc1cccnc1Cl 2230a_100015189234_100011201679 [0,1,1,0,0,0|2,0,0]=4 2804 B13R1.555 COCCNCc1cccnc1Cl 34a_100015189234_100011201679 [0,1,1,0,0,0|2,0,0]=4 2805 B13R1.555 COCCNCc1cccnc1F 2230a_100000209980_100000099810 [0,1,1,0,0,0|2,0,0]=4 2806 B13R1.555 COCCNCc1cccnc1F 34a_100000724633_100011201679 [0,1,1,0,0,0|2,0,0]=4 2807 B13R1.555 COCCNCc1cccnc1O 207a_100000209980_100011998315 [0,1,1,0,0,0|2,0,0]=4 2808 B13R1.555 COCCNCc1cccnc1O 270004a_100000209980_100011998315 [0,1,1,0,0,0|2,0,0]=4 2809 B13R1.555 COCCNCc1cnccc1Br 270004a_100000209980_100009816821 [0,1,1,0,0,0|2,0,0]=4 2810 B13R1.555 COCCNCc1cnccc1C 207a_100000209980_100000685662 [0,1,1,0,0,0|2,0,0]=4 2811 B13R1.555 COCCNCc1cnccc1C 2230a_100000209980_100000690890 [0,1,1,0,0,0|2,0,0]=4 2812 B13R1.555 COCCNCc1cnccc1C 270004a_100000209980_100000685662 [0,1,1,0,0,0|2,0,0]=4 2813 B13R1.555 COCCNCc1cnccc1Cl 270004a_100000209980_100000050567 [0,1,1,0,0,0|2,0,0]=4 2814 B13R1.555 COCCOCc1cccnc1Br 34a_100000210237_100010140945 [0,1,1,0,0,0|2,0,0]=4 2815 B13R1.555 COCCOCc1cccnc1Br 34a_100000719692_100011201679 [0,1,1,0,0,0|2,0,0]=4 2816 B13R1.555 COCCOCc1cccnc1Br 7a_100000719692_100000233755 [0,1,1,0,0,0|2,0,0]=4 2817 B13R1.555 COCCOCc1cccnc1C 34a_100000210237_100000732876 [0,1,1,0,0,0|2,0,0]=4 2818 B13R1.555 COCCOCc1cccnc1C 34a_100000729262_100011201679 [0,1,1,0,0,0|2,0,0]=4 2819 B13R1.555 COCCOCc1cccnc1C 7a_100000729262_100000233755 [0,1,1,0,0,0|2,0,0]=4 2820 B13R1.555 COCCOCc1cccnc1Cl 34a_100000210237_100000045678 [0,1,1,0,0,0|2,0,0]=4 2821 B13R1.555 COCCOCc1cccnc1Cl 34a_100000748726_100011201679 [0,1,1,0,0,0|2,0,0]=4 2822 B13R1.555 COCCOCc1cccnc1Cl 7a_100000748726_100000233755 [0,1,1,0,0,0|2,0,0]=4 2823 B13R1.555 COCCOCc1cccnc1F 34a_100000079888_100011201679 [0,1,1,0,0,0|2,0,0]=4 2824 B13R1.555 COCCOCc1cccnc1F 34a_100000210237_100000099810 [0,1,1,0,0,0|2,0,0]=4 2825 B13R1.555 COCCOCc1cccnc1F 7a_100000079888_100000233755 [0,1,1,0,0,0|2,0,0]=4 2826 B13R1.555 COCCOCc1cnccc1C 34a_100000210237_100000690890 [0,1,1,0,0,0|2,0,0]=4 2827 B13R1.555 COCCOCc1cnccc1C 34a_100011996381_100011201679 [0,1,1,0,0,0|2,0,0]=4 2828 B13R1.555 COCCOCc1cnccc1Cl 34a_100000117392_100011201679 [0,1,1,0,0,0|2,0,0]=4 2829 B13R1.555 COCCSCc1cccnc1Br 62a_100000233755_100010140945 [0,1,1,0,0,0|2,0,0]=4 2830 B13R1.555 COCCSCc1cccnc1Br 62a_100010140945_100000233755 [0,1,1,0,0,0|2,0,0]=4 2831 B13R1.555 COCCSCc1cccnc1C 62a_100000233755_100000732876 [0,1,1,0,0,0|2,0,0]=4 2832 B13R1.555 COCCSCc1cccnc1C 62a_100000732876_100000233755 [0,1,1,0,0,0|2,0,0]=4 2833 B13R1.555 COCCSCc1cccnc1Cl 62a_100000045678_100000233755 [0,1,1,0,0,0|2,0,0]=4 2834 B13R1.555 COCCSCc1cccnc1Cl 62a_100000233755_100000045678 [0,1,1,0,0,0|2,0,0]=4 2835 B13R1.555 COCCSCc1cccnc1F 62a_100000099810_100000233755 [0,1,1,0,0,0|2,0,0]=4 2836 B13R1.555 COCCSCc1cccnc1F 62a_100000233755_100000099810 [0,1,1,0,0,0|2,0,0]=4 2837 B13R1.555 COCCSCc1cnccc1C 62a_100000233755_100000690890 [0,1,1,0,0,0|2,0,0]=4 2838 B13R1.555 COCCSCc1cnccc1C 62a_100000690890_100000233755 [0,1,1,0,0,0|2,0,0]=4 2839 B13R1.555 CSCCNCc1cccnc1Br 2230a_100009818023_100000751147 [0,1,1,0,0,0|2,0,0]=4 2840 B13R1.555 CSCCNCc1cccnc1Br 2230a_100020590264_100010140945 [0,1,1,0,0,0|2,0,0]=4 2841 B13R1.555 CSCCNCc1cccnc1Br 34a_100009818023_100000212216 [0,1,1,0,0,0|2,0,0]=4 2842 B13R1.555 CSCCNCc1cccnc1C 207a_100020590264_100000751968 [0,1,1,0,0,0|2,0,0]=4 2843 B13R1.555 CSCCNCc1cccnc1C 2230a_100020590264_100000732876 [0,1,1,0,0,0|2,0,0]=4 2844 B13R1.555 CSCCNCc1cccnc1C 270004a_100020590264_100000751968 [0,1,1,0,0,0|2,0,0]=4 2845 B13R1.555 CSCCNCc1cccnc1Cl 2230a_100015189234_100000751147 [0,1,1,0,0,0|2,0,0]=4 2846 B13R1.555 CSCCNCc1cccnc1Cl 2230a_100020590264_100000045678 [0,1,1,0,0,0|2,0,0]=4 2847 B13R1.555 CSCCNCc1cccnc1Cl 34a_100015189234_100000212216 [0,1,1,0,0,0|2,0,0]=4 2848 B13R1.555 CSCCNCc1cccnc1F 2230a_100020590264_100000099810 [0,1,1,0,0,0|2,0,0]=4 2849 B13R1.555 CSCCNCc1cccnc1F 34a_100000724633_100000212216 [0,1,1,0,0,0|2,0,0]=4 2850 B13R1.555 CSCCNCc1cccnc1O 207a_100020590264_100011998315 [0,1,1,0,0,0|2,0,0]=4 2851 B13R1.555 CSCCNCc1cccnc1O 270004a_100020590264_100011998315 [0,1,1,0,0,0|2,0,0]=4 2852 B13R1.555 CSCCNCc1cnccc1Br 270004a_100020590264_100009816821 [0,1,1,0,0,0|2,0,0]=4 2853 B13R1.555 CSCCNCc1cnccc1C 207a_100020590264_100000685662 [0,1,1,0,0,0|2,0,0]=4 2854 B13R1.555 CSCCNCc1cnccc1C 2230a_100020590264_100000690890 [0,1,1,0,0,0|2,0,0]=4 2855 B13R1.555 CSCCNCc1cnccc1C 270004a_100020590264_100000685662 [0,1,1,0,0,0|2,0,0]=4 2856 B13R1.555 CSCCNCc1cnccc1Cl 270004a_100020590264_100000050567 [0,1,1,0,0,0|2,0,0]=4 2857 B13R1.555 CSCCOCc1cccnc1Br 34a_100000230434_100010140945 [0,1,1,0,0,0|2,0,0]=4 2858 B13R1.555 CSCCOCc1cccnc1Br 34a_100000719692_100000212216 [0,1,1,0,0,0|2,0,0]=4 2859 B13R1.555 CSCCOCc1cccnc1Br 7a_100000230434_100010140945 [0,1,1,0,0,0|2,0,0]=4 2860 B13R1.555 CSCCOCc1cccnc1Br 7a_100000719692_100000212216 [0,1,1,0,0,0|2,0,0]=4 2861 B13R1.555 CSCCOCc1cccnc1C 34a_100000230434_100000732876 [0,1,1,0,0,0|2,0,0]=4 2862 B13R1.555 CSCCOCc1cccnc1C 34a_100000729262_100000212216 [0,1,1,0,0,0|2,0,0]=4 2863 B13R1.555 CSCCOCc1cccnc1C 7a_100000230434_100000732876 [0,1,1,0,0,0|2,0,0]=4 2864 B13R1.555 CSCCOCc1cccnc1C 7a_100000729262_100000212216 [0,1,1,0,0,0|2,0,0]=4 2865 B13R1.555 CSCCOCc1cccnc1Cl 34a_100000230434_100000045678 [0,1,1,0,0,0|2,0,0]=4 2866 B13R1.555 CSCCOCc1cccnc1Cl 34a_100000748726_100000212216 [0,1,1,0,0,0|2,0,0]=4 2867 B13R1.555 CSCCOCc1cccnc1Cl 7a_100000230434_100000045678 [0,1,1,0,0,0|2,0,0]=4 2868 B13R1.555 CSCCOCc1cccnc1Cl 7a_100000748726_100000212216 [0,1,1,0,0,0|2,0,0]=4 2869 B13R1.555 CSCCOCc1cccnc1F 34a_100000079888_100000212216 [0,1,1,0,0,0|2,0,0]=4 2870 B13R1.555 CSCCOCc1cccnc1F 34a_100000230434_100000099810 [0,1,1,0,0,0|2,0,0]=4 2871 B13R1.555 CSCCOCc1cccnc1F 7a_100000079888_100000212216 [0,1,1,0,0,0|2,0,0]=4 2872 B13R1.555 CSCCOCc1cccnc1F 7a_100000230434_100000099810 [0,1,1,0,0,0|2,0,0]=4 2873 B13R1.555 CSCCOCc1cnccc1C 34a_100000230434_100000690890 [0,1,1,0,0,0|2,0,0]=4 2874 B13R1.555 CSCCOCc1cnccc1C 34a_100011996381_100000212216 [0,1,1,0,0,0|2,0,0]=4 2875 B13R1.555 CSCCOCc1cnccc1C 7a_100000230434_100000690890 [0,1,1,0,0,0|2,0,0]=4 2876 B13R1.555 CSCCOCc1cnccc1Cl 34a_100000117392_100000212216 [0,1,1,0,0,0|2,0,0]=4 2877 B13R1.555 CSCCSCc1cccnc1Br 62a_100000212216_100010140945 [0,1,1,0,0,0|2,0,0]=4 2878 B13R1.555 CSCCSCc1cccnc1Br 62a_100010140945_100000751147 [0,1,1,0,0,0|2,0,0]=4 2879 B13R1.555 CSCCSCc1cccnc1C 62a_100000212216_100000732876 [0,1,1,0,0,0|2,0,0]=4 2880 B13R1.555 CSCCSCc1cccnc1C 62a_100000732876_100000751147 [0,1,1,0,0,0|2,0,0]=4 2881 B13R1.555 CSCCSCc1cccnc1Cl 62a_100000045678_100000751147 [0,1,1,0,0,0|2,0,0]=4 2882 B13R1.555 CSCCSCc1cccnc1Cl 62a_100000212216_100000045678 [0,1,1,0,0,0|2,0,0]=4 2883 B13R1.555 CSCCSCc1cccnc1F 62a_100000099810_100000751147 [0,1,1,0,0,0|2,0,0]=4 2884 B13R1.555 CSCCSCc1cccnc1F 62a_100000212216_100000099810 [0,1,1,0,0,0|2,0,0]=4 2885 B13R1.555 CSCCSCc1cnccc1C 62a_100000212216_100000690890 [0,1,1,0,0,0|2,0,0]=4 2886 B13R1.555 CSCCSCc1cnccc1C 62a_100000690890_100000751147 [0,1,1,0,0,0|2,0,0]=4 2887 B13R1.555 Cc1ccccc1CSCCN[13CH3] 2230a_200000189569_200025704644 [0,1,1,0,0,0|2,0,0]=4 2888 B13R1.555 Cc1ccccc1CSCCN[13CH3] 34a_200000189569_200025704644 [0,1,1,0,0,0|2,0,0]=4 2889 B13R1.555 Cc1ccccc1CSCCN[13CH3] 7a_200000189569_200025704644 [0,1,1,0,0,0|2,0,0]=4 2890 B13R1.555 Cc1ccccc1OCCCN[13CH3] 2230a_106633784460_200025704644 [0,1,1,0,0,0|2,0,0]=4 2891 B13R1.555 Cc1ccccc1OCCCN[13CH3] 34a_106633784460_200025704644 [0,1,1,0,0,0|2,0,0]=4 2892 B13R1.555 [13CH3]NCCCOc1ccccc1F 2230a_100000707858_200025704644 [0,1,1,0,0,0|2,0,0]=4 2893 B13R1.555 [13CH3]NCCCOc1ccccc1F 34a_100000707858_200025704644 [0,1,1,0,0,0|2,0,0]=4 2894 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 2230a_100000745786_200025704644 [0,1,1,0,0,0|2,0,0]=4 2895 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 34a_100000745786_200025704644 [0,1,1,0,0,0|2,0,0]=4 2896 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 2230a_100011219180_200025704644 [0,1,1,0,0,0|2,0,0]=4 2897 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 34a_100011219180_200025704644 [0,1,1,0,0,0|2,0,0]=4 2898 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 7a_100011219180_200025704644 [0,1,1,0,0,0|2,0,0]=4 2899 B13R1.555 [13CH3]OCCCCc1ccccc1Br 34a_100012092669_200025704644 [0,1,1,0,0,0|2,0,0]=4 2900 B13R1.555 [13CH3]OCCCCc1ccccc1Br 7a_100012092669_200025704644 [0,1,1,0,0,0|2,0,0]=4 2901 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,1,1,0,0,0|2,0,0]=4 2902 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,1,1,0,0,0|2,0,0]=4 2903 B13R1.718 CCC(C)CNCc1cccnc1 207a_100020588543_100000209961 [0,1,1,0,0,0|2,0,0]=4 2904 B13R1.718 CCC(C)CNCc1cccnc1 2230a_100020588543_100000741622 [0,1,1,0,0,0|2,0,0]=4 2905 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100000210453_100000243153 [0,1,1,0,0,0|2,0,0]=4 2906 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100020588543_100000209961 [0,1,1,0,0,0|2,0,0]=4 2907 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000741622_100000748023 [0,1,1,0,0,0|2,0,0]=4 2908 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000748023_100000741622 [0,1,1,0,0,0|2,0,0]=4 2909 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [0,1,1,0,0,0|2,0,0]=4 2910 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [0,1,1,0,0,0|2,0,0]=4 2911 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [0,1,1,0,0,0|2,0,0]=4 2912 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [0,1,1,0,0,0|2,0,0]=4 2913 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [0,1,1,0,0,0|2,0,0]=4 2914 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [0,1,1,0,0,0|2,0,0]=4 2915 B13R1.718 CCC(O)CNCc1cccnc1 207a_100011218483_100000209961 [0,1,1,0,0,0|2,0,0]=4 2916 B13R1.718 CCC(O)CNCc1cccnc1 2230a_100011218483_100000741622 [0,1,1,0,0,0|2,0,0]=4 2917 B13R1.718 CCC(O)CNCc1cccnc1 270004a_100011218483_100000209961 [0,1,1,0,0,0|2,0,0]=4 2918 B13R1.718 CCC(O)CSCc1cccnc1 62a_100000741622_100011218378 [0,1,1,0,0,0|2,0,0]=4 2919 B13R1.718 CCC(O)CSCc1cccnc1 62a_100011218378_100000741622 [0,1,1,0,0,0|2,0,0]=4 2920 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,1,1,0,0,0|2,0,0]=4 2921 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100000741622_100009816398 [0,1,1,0,0,0|2,0,0]=4 2922 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100009816398_100000741622 [0,1,1,0,0,0|2,0,0]=4 2923 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,1,0,0,0|1,0,1]=4 2924 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,1,0,0,0|1,0,1]=4 2925 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,1,0,0,0|1,0,1]=4 2926 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,1,0,0,0|1,0,1]=4 2927 B13R1.718 CNC(=O)CCOc1cccnc1 34a_100000210849_100012179268 [0,1,1,0,0,0|1,0,1]=4 2928 B13R1.718 CNC(=O)CCOc1cccnc1 7a_100000210849_100000737683 [0,1,1,0,0,0|1,0,1]=4 2929 B13R1.718 CNC(=O)CCSc1cccnc1 62a_100000210063_100000737683 [0,1,1,0,0,0|1,0,1]=4 2930 B13R1.718 CNC(=O)CCSc1cccnc1 62a_100000737683_100000210063 [0,1,1,0,0,0|1,0,1]=4 2931 B13R1.718 CNC(=O)CNCc1cccnc1 207a_100000693194_100000209961 [0,1,1,0,0,0|1,0,1]=4 2932 B13R1.718 CNC(=O)CNCc1cccnc1 2230a_100000693194_100000741622 [0,1,1,0,0,0|1,0,1]=4 2933 B13R1.718 CNC(=O)CNCc1cccnc1 270004a_100000693194_100000209961 [0,1,1,0,0,0|1,0,1]=4 2934 B13R1.718 CNC(=O)COCc1cccnc1 34a_100000750040_100000733263 [0,1,1,0,0,0|1,0,1]=4 2935 B13R1.718 CNC(=O)CSCc1cccnc1 62a_100000183359_100000741622 [0,1,1,0,0,0|1,0,1]=4 2936 B13R1.718 CNC(=O)CSCc1cccnc1 62a_100000741622_100000183359 [0,1,1,0,0,0|1,0,1]=4 2937 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100000736294_106832991635 [0,1,1,0,0,0|1,0,1]=4 2938 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100102657272_100000736294 [0,1,1,0,0,0|1,0,1]=4 2939 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100000736294_100102657272 [0,1,1,0,0,0|1,0,1]=4 2940 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100102657272_100000736294 [0,1,1,0,0,0|1,0,1]=4 2941 B13R1.718 CNC(=O)NCCc1cccnc1 512a_100000736294_100102657272 [0,1,1,0,0,0|1,0,1]=4 2942 B13R1.718 CNC(=O)NCCc1cccnc1 512a_106832991638_100000736294 [0,1,1,0,0,0|1,0,1]=4 2943 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,1,1,0,0,0|1,0,0]=3 2944 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,1,1,0,0,0|1,0,0]=3 2945 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,1,1,0,0,0|1,0,0]=3 2946 B13R1.718 CNC(C)COCc1ccccc1 270004a_106832991635_100011215004 [0,1,1,0,0,0|2,0,0]=4 2947 B13R1.718 CNC(C)CSCc1ccccc1 270004a_106832991635_100000172147 [0,1,1,0,0,0|2,0,0]=4 2948 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,1,1,0,0,0|2,0,0]=4 2949 B13R1.718 COC(C)COCc1cccnc1 34a_100000690652_100000733263 [0,1,1,0,0,0|2,0,0]=4 2950 B13R1.718 COC(C)SCCc1cccnc1 62a_100009879195_200011713674 [0,1,1,0,0,0|2,0,0]=4 2951 B13R1.718 COC(C)SCCc1cccnc1 62a_200011713674_100009879195 [0,1,1,0,0,0|2,0,0]=4 2952 B13R1.718 CO[C@H](C)CNCc1cccnc1 207a_100020591295_100000209961 [0,1,1,0,0,0|2,0,0]=4 2953 B13R1.718 CO[C@H](C)CNCc1cccnc1 2230a_100020591295_100000741622 [0,1,1,0,0,0|2,0,0]=4 2954 B13R1.718 CO[C@H](C)CNCc1cccnc1 270004a_100020591295_100000209961 [0,1,1,0,0,0|2,0,0]=4 2955 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,1,1,0,0,0|2,0,0]=4 2956 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,1,1,0,0,0|2,0,0]=4 2957 B13R1.19 C#CCN(C)Cc1ccc(nc1)Br 2230a_100000225692_100009831999 [0,1,1,0,0,0|0,0,2]=4 2958 B13R1.19 C#CCN(C)Cc1ccc(nc1)Br 34a_100000225692_100009831999 [0,1,1,0,0,0|0,0,2]=4 2959 B13R1.19 C#CCN(C)Cc1ccc(nc1)C 2230a_100000225692_100016987292 [0,1,1,0,0,0|0,0,2]=4 2960 B13R1.19 C#CCN(C)Cc1ccc(nc1)C 2230a_106623407658_100000038162 [0,1,1,0,0,0|0,0,2]=4 2961 B13R1.19 C#CCN(C)Cc1ccc(nc1)C 270004a_100000225692_100000743784 [0,1,1,0,0,0|0,0,2]=4 2962 B13R1.19 C#CCN(C)Cc1ccc(nc1)C 34a_100000225692_100016987292 [0,1,1,0,0,0|0,0,2]=4 2963 B13R1.19 C#CCN(C)Cc1ccc(nc1)C 34a_106623407658_100000184674 [0,1,1,0,0,0|0,0,2]=4 2964 B13R1.19 C#CCN(C)Cc1ccc(nc1)Cl 2230a_100000026953_100000038162 [0,1,1,0,0,0|0,0,2]=4 2965 B13R1.19 C#CCN(C)Cc1ccc(nc1)Cl 2230a_100000225692_100000735431 [0,1,1,0,0,0|0,0,2]=4 2966 B13R1.19 C#CCN(C)Cc1ccc(nc1)Cl 34a_100000026953_100000184674 [0,1,1,0,0,0|0,0,2]=4 2967 B13R1.19 C#CCN(C)Cc1ccc(nc1)Cl 34a_100000225692_100000735431 [0,1,1,0,0,0|0,0,2]=4 2968 B13R1.19 C#CCN(C)Cc1ccc(nc1)F 2230a_100000225692_100009820150 [0,1,1,0,0,0|0,0,2]=4 2969 B13R1.19 C#CCN(C)Cc1ccc(nc1)F 34a_100000225692_100000099788 [0,1,1,0,0,0|0,0,2]=4 2970 B13R1.19 C=CCN(C)Cc1ccc(nc1)Br 2230a_100000225617_100009831999 [0,1,1,0,0,0|0,0,2]=4 2971 B13R1.19 C=CCN(C)Cc1ccc(nc1)Br 269982a_100000225617_100009831999 [0,1,1,0,0,0|0,0,2]=4 2972 B13R1.19 C=CCN(C)Cc1ccc(nc1)C 2230a_100000225617_100016987292 [0,1,1,0,0,0|0,0,2]=4 2973 B13R1.19 C=CCN(C)Cc1ccc(nc1)C 2230a_106623407658_100000210623 [0,1,1,0,0,0|0,0,2]=4 2974 B13R1.19 C=CCN(C)Cc1ccc(nc1)C 269982a_100000225617_100016987292 [0,1,1,0,0,0|0,0,2]=4 2975 B13R1.19 C=CCN(C)Cc1ccc(nc1)C 269982a_106623407658_100000210623 [0,1,1,0,0,0|0,0,2]=4 2976 B13R1.19 C=CCN(C)Cc1ccc(nc1)C 270004a_100000225617_100000743784 [0,1,1,0,0,0|0,0,2]=4 2977 B13R1.19 C=CCN(C)Cc1ccc(nc1)C 34a_106623407658_100015514636 [0,1,1,0,0,0|0,0,2]=4 2978 B13R1.19 C=CCN(C)Cc1ccc(nc1)Cl 2230a_100000026953_100000210623 [0,1,1,0,0,0|0,0,2]=4 2979 B13R1.19 C=CCN(C)Cc1ccc(nc1)Cl 2230a_100000225617_100000735431 [0,1,1,0,0,0|0,0,2]=4 2980 B13R1.19 C=CCN(C)Cc1ccc(nc1)Cl 269982a_100000026953_100000210623 [0,1,1,0,0,0|0,0,2]=4 2981 B13R1.19 C=CCN(C)Cc1ccc(nc1)Cl 269982a_100000225617_100000735431 [0,1,1,0,0,0|0,0,2]=4 2982 B13R1.19 C=CCN(C)Cc1ccc(nc1)Cl 34a_100000026953_100015514636 [0,1,1,0,0,0|0,0,2]=4 2983 B13R1.19 C=CCN(C)Cc1ccc(nc1)F 2230a_100000225617_100009820150 [0,1,1,0,0,0|0,0,2]=4 2984 B13R1.19 C=CCN(C)Cc1ccc(nc1)F 269982a_100000225617_100009820150 [0,1,1,0,0,0|0,0,2]=4 2985 B13R1.19 CCCC(=O)Cc1ccc(nc1)Br 1458a_100000211992_100009831999 [0,1,1,0,0,0|2,0,0]=4 2986 B13R1.19 CCCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210303 [0,1,1,0,0,0|2,0,0]=4 2987 B13R1.19 CCCC(=O)Cc1ccc(nc1)C 1458a_100000211992_100016987292 [0,1,1,0,0,0|2,0,0]=4 2988 B13R1.19 CCCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210303 [0,1,1,0,0,0|2,0,0]=4 2989 B13R1.19 CCCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210303 [0,1,1,0,0,0|2,0,0]=4 2990 B13R1.19 CCCC(=O)Cc1ccc(nc1)Cl 1458a_100000211992_100000735431 [0,1,1,0,0,0|2,0,0]=4 2991 B13R1.19 CCCC(=O)Cc1ccc(nc1)F 1458a_100000211992_100009820150 [0,1,1,0,0,0|2,0,0]=4 2992 B13R1.19 CCCC(C)Oc1ccc(nc1)Br 34a_100000685995_100000766640 [0,1,1,0,0,0|2,0,0]=4 2993 B13R1.19 CCCC(C)Oc1ccc(nc1)Br 7a_100000685995_100000766640 [0,1,1,0,0,0|2,0,0]=4 2994 B13R1.19 CCCC(C)Oc1ccc(nc1)C 34a_100000745506_100000766640 [0,1,1,0,0,0|2,0,0]=4 2995 B13R1.19 CCCC(C)Oc1ccc(nc1)C 7a_100000745506_100000766640 [0,1,1,0,0,0|2,0,0]=4 2996 B13R1.19 CCCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000766640 [0,1,1,0,0,0|2,0,0]=4 2997 B13R1.19 CCCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000766640 [0,1,1,0,0,0|2,0,0]=4 2998 B13R1.19 CCCC(C)Oc1ccc(nc1)F 34a_100000688820_100000766640 [0,1,1,0,0,0|2,0,0]=4 2999 B13R1.19 CCCC(C)Oc1ccc(nc1)F 7a_100000688820_100000766640 [0,1,1,0,0,0|2,0,0]=4 3000 B13R1.19 CCCC(C)Oc1ccc(nc1)I 34a_100000687607_100000766640 [0,1,1,0,0,0|2,0,0]=4 3001 B13R1.19 CCCC(C)Oc1ccc(nc1)I 7a_100000687607_100000766640 [0,1,1,0,0,0|2,0,0]=4 3002 B13R1.19 CCCC(C)Oc1ccc(nc1)N 34a_100015188713_100000766640 [0,1,1,0,0,0|2,0,0]=4 3003 B13R1.19 CCCC(C)Oc1ccc(nc1)N 7a_100015188713_100000766640 [0,1,1,0,0,0|2,0,0]=4 3004 B13R1.19 CCCC(C)Sc1ccc(nc1)Br 62a_100000766640_100009814638 [0,1,1,0,0,0|2,0,0]=4 3005 B13R1.19 CCCC(C)Sc1ccc(nc1)Br 62a_100009814638_100000766640 [0,1,1,0,0,0|2,0,0]=4 3006 B13R1.19 CCCC(C)Sc1ccc(nc1)C 62a_100000751577_100000766640 [0,1,1,0,0,0|2,0,0]=4 3007 B13R1.19 CCCC(C)Sc1ccc(nc1)C 62a_100000766640_100000751577 [0,1,1,0,0,0|2,0,0]=4 3008 B13R1.19 CCCC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000766640 [0,1,1,0,0,0|2,0,0]=4 3009 B13R1.19 CCCC(C)Sc1ccc(nc1)Cl 62a_100000766640_100000034144 [0,1,1,0,0,0|2,0,0]=4 3010 B13R1.19 CCCC(C)Sc1ccc(nc1)F 62a_100000042367_100000766640 [0,1,1,0,0,0|2,0,0]=4 3011 B13R1.19 CCCC(C)Sc1ccc(nc1)F 62a_100000766640_100000042367 [0,1,1,0,0,0|2,0,0]=4 3012 B13R1.19 CCCC(C)Sc1ccc(nc1)N 62a_100000187370_100000766640 [0,1,1,0,0,0|2,0,0]=4 3013 B13R1.19 CCCC(C)Sc1ccc(nc1)N 62a_100000766640_100000187370 [0,1,1,0,0,0|2,0,0]=4 3014 B13R1.19 CCCN(C)Cc1ccc(=O)[nH]n1 270004a_100000747261_100011361533 [0,1,1,0,0,0|1,0,1]=4 3015 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210303 [0,1,1,0,0,0|1,0,0]=3 3016 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000747261_100011217064 [0,1,1,0,0,0|1,0,0]=3 3017 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210303 [0,1,1,0,0,0|1,0,0]=3 3018 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000747261_100011217064 [0,1,1,0,0,0|1,0,0]=3 3019 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 26a_100000747261_100000185759 [0,1,1,0,0,0|1,0,0]=3 3020 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 270004a_100000747261_100000186029 [0,1,1,0,0,0|1,0,0]=3 3021 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000186941_200000210301 [0,1,1,0,0,0|1,0,0]=3 3022 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210303 [0,1,1,0,0,0|1,0,0]=3 3023 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000747261_100000210814 [0,1,1,0,0,0|1,0,0]=3 3024 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000186941_200000210301 [0,1,1,0,0,0|1,0,0]=3 3025 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210303 [0,1,1,0,0,0|1,0,0]=3 3026 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000747261_100000210814 [0,1,1,0,0,0|1,0,0]=3 3027 B13R1.19 CCCN(C)Cc1ccc(cc1)C 26a_100000747261_200020625495 [0,1,1,0,0,0|1,0,0]=3 3028 B13R1.19 CCCN(C)Cc1ccc(cc1)C 270004a_100000747261_100000211033 [0,1,1,0,0,0|1,0,0]=3 3029 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000186941_200000210301 [0,1,1,0,0,0|1,0,0]=3 3030 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210303 [0,1,1,0,0,0|1,0,0]=3 3031 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210303 [0,1,1,0,0,0|1,0,0]=3 3032 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000747261_100000694040 [0,1,1,0,0,0|1,0,0]=3 3033 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100020603295_200000210301 [0,1,1,0,0,0|1,0,0]=3 3034 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210303 [0,1,1,0,0,0|1,0,0]=3 3035 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000747261_100000187161 [0,1,1,0,0,0|1,0,0]=3 3036 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100020603295_200000210301 [0,1,1,0,0,0|1,0,0]=3 3037 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 270004a_100000747261_100000189385 [0,1,1,0,0,0|1,0,0]=3 3038 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210303 [0,1,1,0,0,0|1,0,0]=3 3039 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100020603295_200000210301 [0,1,1,0,0,0|1,0,0]=3 3040 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210303 [0,1,1,0,0,0|1,0,0]=3 3041 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000188862_200000210301 [0,1,1,0,0,0|1,0,0]=3 3042 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000747261_100000198546 [0,1,1,0,0,0|1,0,0]=3 3043 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210303 [0,1,1,0,0,0|1,0,0]=3 3044 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000188862_200000210301 [0,1,1,0,0,0|1,0,0]=3 3045 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000747261_100000198546 [0,1,1,0,0,0|1,0,0]=3 3046 B13R1.19 CCCN(C)Cc1ccc(cc1)F 270004a_100000747261_100000210084 [0,1,1,0,0,0|1,0,0]=3 3047 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210303 [0,1,1,0,0,0|1,0,0]=3 3048 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000188862_200000210301 [0,1,1,0,0,0|1,0,0]=3 3049 B13R1.19 CCCN(C)Cc1ccc(cc1)I 2230a_100000747261_100000189116 [0,1,1,0,0,0|1,0,0]=3 3050 B13R1.19 CCCN(C)Cc1ccc(cc1)I 269982a_100000747261_100000189116 [0,1,1,0,0,0|1,0,0]=3 3051 B13R1.19 CCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210303 [0,1,1,0,0,0|1,0,0]=3 3052 B13R1.19 CCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210303 [0,1,1,0,0,0|1,0,0]=3 3053 B13R1.19 CCCN(C)Cc1ccc(cn1)Br 2230a_100000747261_100000702658 [0,1,1,0,0,0|2,0,0]=4 3054 B13R1.19 CCCN(C)Cc1ccc(cn1)Br 269982a_100000747261_100000702658 [0,1,1,0,0,0|2,0,0]=4 3055 B13R1.19 CCCN(C)Cc1ccc(cn1)Br 270004a_100000747261_100000754260 [0,1,1,0,0,0|2,0,0]=4 3056 B13R1.19 CCCN(C)Cc1ccc(cn1)C 2230a_100000747261_100000691093 [0,1,1,0,0,0|2,0,0]=4 3057 B13R1.19 CCCN(C)Cc1ccc(cn1)C 2230a_200000717808_100000210303 [0,1,1,0,0,0|2,0,0]=4 3058 B13R1.19 CCCN(C)Cc1ccc(cn1)C 269982a_100000747261_100000691093 [0,1,1,0,0,0|2,0,0]=4 3059 B13R1.19 CCCN(C)Cc1ccc(cn1)C 269982a_200000717808_100000210303 [0,1,1,0,0,0|2,0,0]=4 3060 B13R1.19 CCCN(C)Cc1ccc(cn1)C 270004a_100000747261_100000050478 [0,1,1,0,0,0|2,0,0]=4 3061 B13R1.19 CCCN(C)Cc1ccc(cn1)Cl 2230a_100000747261_100012066911 [0,1,1,0,0,0|2,0,0]=4 3062 B13R1.19 CCCN(C)Cc1ccc(cn1)Cl 269982a_100000747261_100000697101 [0,1,1,0,0,0|2,0,0]=4 3063 B13R1.19 CCCN(C)Cc1ccc(cn1)Cl 270004a_100000747261_100011361569 [0,1,1,0,0,0|2,0,0]=4 3064 B13R1.19 CCCN(C)Cc1ccc(cn1)F 2230a_100000747261_100000703193 [0,1,1,0,0,0|2,0,0]=4 3065 B13R1.19 CCCN(C)Cc1ccc(cn1)F 269982a_100000747261_100000703193 [0,1,1,0,0,0|2,0,0]=4 3066 B13R1.19 CCCN(C)Cc1ccc(cn1)F 270004a_100000747261_100011934744 [0,1,1,0,0,0|2,0,0]=4 3067 B13R1.19 CCCN(C)Cc1ccc(nc1)Br 2230a_100000747261_100009831999 [0,1,1,0,0,0|0,0,0]=2 3068 B13R1.19 CCCN(C)Cc1ccc(nc1)Br 269982a_100000747261_100009831999 [0,1,1,0,0,0|0,0,0]=2 3069 B13R1.19 CCCN(C)Cc1ccc(nc1)C 2230a_100000747261_100016987292 [0,1,1,0,0,0|0,0,0]=2 3070 B13R1.19 CCCN(C)Cc1ccc(nc1)C 2230a_106623407658_100000210303 [0,1,1,0,0,0|0,0,0]=2 3071 B13R1.19 CCCN(C)Cc1ccc(nc1)C 269982a_100000747261_100016987292 [0,1,1,0,0,0|0,0,0]=2 3072 B13R1.19 CCCN(C)Cc1ccc(nc1)C 269982a_106623407658_100000210303 [0,1,1,0,0,0|0,0,0]=2 3073 B13R1.19 CCCN(C)Cc1ccc(nc1)C 270004a_100000747261_100000743784 [0,1,1,0,0,0|0,0,0]=2 3074 B13R1.19 CCCN(C)Cc1ccc(nc1)C 34a_106623407658_100000210303 [0,1,1,0,0,0|0,0,0]=2 3075 B13R1.19 CCCN(C)Cc1ccc(nc1)Cl 2230a_100000026953_100000210303 [0,1,1,0,0,0|0,0,0]=2 3076 B13R1.19 CCCN(C)Cc1ccc(nc1)Cl 2230a_100000747261_100000735431 [0,1,1,0,0,0|0,0,0]=2 3077 B13R1.19 CCCN(C)Cc1ccc(nc1)Cl 269982a_100000026953_100000210303 [0,1,1,0,0,0|0,0,0]=2 3078 B13R1.19 CCCN(C)Cc1ccc(nc1)Cl 269982a_100000747261_100000735431 [0,1,1,0,0,0|0,0,0]=2 3079 B13R1.19 CCCN(C)Cc1ccc(nc1)Cl 34a_100000026953_100000210303 [0,1,1,0,0,0|0,0,0]=2 3080 B13R1.19 CCCN(C)Cc1ccc(nc1)F 2230a_100000747261_100009820150 [0,1,1,0,0,0|0,0,0]=2 3081 B13R1.19 CCCN(C)Cc1ccc(nc1)F 269982a_100000747261_100009820150 [0,1,1,0,0,0|0,0,0]=2 3082 B13R1.19 CCCN(C)Cc1ccc(nn1)Cl 2230a_100000747261_100016992710 [0,1,1,0,0,0|1,0,0]=3 3083 B13R1.19 CCCN(C)Cc1ccc(nn1)Cl 270004a_100000747261_100000044651 [0,1,1,0,0,0|1,0,0]=3 3084 B13R1.19 CCCN(C)Cc1cnc(cn1)C 2230a_100000747261_100000752025 [0,1,1,0,0,0|1,0,0]=3 3085 B13R1.19 CCCN(C)Cc1cnc(cn1)C 269982a_100000747261_100000752025 [0,1,1,0,0,0|1,0,0]=3 3086 B13R1.19 CCCN(C)Cc1cnc(cn1)C 270004a_100000747261_100000685221 [0,1,1,0,0,0|1,0,0]=3 3087 B13R1.19 CCCN(C)Cc1cnc(cn1)Cl 270004a_100000747261_100012001714 [0,1,1,0,0,0|1,0,0]=3 3088 B13R1.19 CCCN(C)Cc1cnc(nc1)C 270004a_100000747261_100011202771 [0,1,1,0,0,0|1,0,0]=3 3089 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 2230a_100000186941_200025704644 [0,1,1,0,0,0|1,0,0]=3 3090 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 269982a_100000186941_200025704644 [0,1,1,0,0,0|1,0,0]=3 3091 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 34a_100000186941_200025704644 [0,1,1,0,0,0|1,0,0]=3 3092 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100020603295_200025704644 [0,1,1,0,0,0|1,0,0]=3 3093 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100020603295_200025704644 [0,1,1,0,0,0|1,0,0]=3 3094 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 34a_100020603295_200025704644 [0,1,1,0,0,0|1,0,0]=3 3095 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 2230a_100000188862_200025704644 [0,1,1,0,0,0|1,0,0]=3 3096 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 269982a_100000188862_200025704644 [0,1,1,0,0,0|1,0,0]=3 3097 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 34a_100000188862_200025704644 [0,1,1,0,0,0|1,0,0]=3 3098 B13R1.19 CN(CC#N)Cc1ccc(nc1)Br 2230a_100000748184_100009831999 [0,1,1,0,0,0|1,0,1]=4 3099 B13R1.19 CN(CC#N)Cc1ccc(nc1)Cl 2230a_100000026953_100011215382 [0,1,1,0,0,0|1,0,1]=4 3100 B13R1.19 CN(CC#N)Cc1ccc(nc1)Cl 2230a_100000748184_100000735431 [0,1,1,0,0,0|1,0,1]=4 3101 B13R1.19 CN(CC#N)Cc1ccc(nc1)Cl 269982a_100000026953_100011214920 [0,1,1,0,0,0|1,0,1]=4 3102 B13R1.19 CN(CC#N)Cc1ccc(nc1)F 2230a_100000748184_100009820150 [0,1,1,0,0,0|1,0,1]=4 3103 B13R1.19 CN(CC=O)Cc1ccc(nc1)Cl 2230a_100000026953_200015260668 [0,1,1,0,0,0|1,0,1]=4 3104 B13R1.19 CN(CC=O)Cc1ccc(nc1)Cl 269982a_100000026953_200015260668 [0,1,1,0,0,0|1,0,1]=4 3105 B13R1.19 CN(CC=O)Cc1ccc(nc1)Cl 34a_100000026953_200009817547 [0,1,1,0,0,0|1,0,1]=4 3106 B13R1.19 CN(CCF)Cc1ccc(cc1)Br 2230a_100000180866_100011217306 [0,1,1,0,0,0|2,0,0]=4 3107 B13R1.19 CN(CCF)Cc1ccc(cc1)Br 269982a_100000180866_100011217306 [0,1,1,0,0,0|2,0,0]=4 3108 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 2230a_100000184517_100011217306 [0,1,1,0,0,0|2,0,0]=4 3109 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 269982a_100000184517_100011217306 [0,1,1,0,0,0|2,0,0]=4 3110 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 34a_100000184517_100011217306 [0,1,1,0,0,0|2,0,0]=4 3111 B13R1.19 CN(CCF)Cc1ccc(cc1)F 2230a_100000184576_100011217306 [0,1,1,0,0,0|2,0,0]=4 3112 B13R1.19 CN(CCF)Cc1ccc(cc1)F 269982a_100000184576_100011217306 [0,1,1,0,0,0|2,0,0]=4 3113 B13R1.19 CN(CCF)Cc1ccc(cc1)F 34a_100000184576_100011217306 [0,1,1,0,0,0|2,0,0]=4 3114 B13R1.19 CN(CCF)Cc1ccc(cc1)O 2230a_100000207500_100011217306 [0,1,1,0,0,0|2,0,0]=4 3115 B13R1.19 CN(CCF)Cc1ccc(cc1)O 269982a_100000207500_100011217306 [0,1,1,0,0,0|2,0,0]=4 3116 B13R1.19 CN(CCF)Cc1ccc(nc1)Cl 2230a_100000026953_100011217306 [0,1,1,0,0,0|1,0,0]=3 3117 B13R1.19 CN(CCF)Cc1ccc(nc1)Cl 269982a_100000026953_100011217306 [0,1,1,0,0,0|1,0,0]=3 3118 B13R1.19 CN(CCF)Cc1ccc(nc1)Cl 34a_100000026953_100011217306 [0,1,1,0,0,0|1,0,0]=3 3119 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000180866_100000211926 [0,1,1,0,0,0|2,0,0]=4 3120 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200000210301 [0,1,1,0,0,0|2,0,0]=4 3121 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000210263_100011217064 [0,1,1,0,0,0|2,0,0]=4 3122 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000180866_100000211926 [0,1,1,0,0,0|2,0,0]=4 3123 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200000210301 [0,1,1,0,0,0|2,0,0]=4 3124 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000210263_100011217064 [0,1,1,0,0,0|2,0,0]=4 3125 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 26a_100000210263_100000185759 [0,1,1,0,0,0|2,0,0]=4 3126 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 270004a_100000210263_100000186029 [0,1,1,0,0,0|2,0,0]=4 3127 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 34a_100000186819_200000210301 [0,1,1,0,0,0|2,0,0]=4 3128 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000184517_100000211926 [0,1,1,0,0,0|2,0,0]=4 3129 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000210263_100000694040 [0,1,1,0,0,0|2,0,0]=4 3130 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000184517_100000211926 [0,1,1,0,0,0|2,0,0]=4 3131 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000210263_100000187161 [0,1,1,0,0,0|2,0,0]=4 3132 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 270004a_100000210263_100000189385 [0,1,1,0,0,0|2,0,0]=4 3133 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 34a_100000184517_100000211926 [0,1,1,0,0,0|2,0,0]=4 3134 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000184576_100000211926 [0,1,1,0,0,0|2,0,0]=4 3135 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000210263_100000198546 [0,1,1,0,0,0|2,0,0]=4 3136 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100015183715_200000210301 [0,1,1,0,0,0|2,0,0]=4 3137 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000184576_100000211926 [0,1,1,0,0,0|2,0,0]=4 3138 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000210263_100000198546 [0,1,1,0,0,0|2,0,0]=4 3139 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100015183715_200000210301 [0,1,1,0,0,0|2,0,0]=4 3140 B13R1.19 CN(CCO)Cc1ccc(cc1)F 270004a_100000210263_100000210084 [0,1,1,0,0,0|2,0,0]=4 3141 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100000184576_100000211926 [0,1,1,0,0,0|2,0,0]=4 3142 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100015183715_200000210301 [0,1,1,0,0,0|2,0,0]=4 3143 B13R1.19 CN(CCO)Cc1ccc(cc1)I 2230a_100000210263_100000189116 [0,1,1,0,0,0|2,0,0]=4 3144 B13R1.19 CN(CCO)Cc1ccc(cc1)I 269982a_100000210263_100000189116 [0,1,1,0,0,0|2,0,0]=4 3145 B13R1.19 CN(CCO)Cc1ccc(cc1)O 2230a_100000207500_100000211926 [0,1,1,0,0,0|2,0,0]=4 3146 B13R1.19 CN(CCO)Cc1ccc(cc1)O 269982a_100000207500_100000211926 [0,1,1,0,0,0|2,0,0]=4 3147 B13R1.19 CN(CCO)Cc1ccc(nc1)Br 2230a_100000210263_100009831999 [0,1,1,0,0,0|1,0,0]=3 3148 B13R1.19 CN(CCO)Cc1ccc(nc1)Br 269982a_100000210263_100009831999 [0,1,1,0,0,0|1,0,0]=3 3149 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 2230a_100000026953_100000211926 [0,1,1,0,0,0|1,0,0]=3 3150 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 2230a_100000210263_100000735431 [0,1,1,0,0,0|1,0,0]=3 3151 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 269982a_100000026953_100000211926 [0,1,1,0,0,0|1,0,0]=3 3152 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 269982a_100000210263_100000735431 [0,1,1,0,0,0|1,0,0]=3 3153 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 34a_100000026953_100000211926 [0,1,1,0,0,0|1,0,0]=3 3154 B13R1.19 CN(CCO)Cc1ccc(nc1)F 2230a_100000210263_100009820150 [0,1,1,0,0,0|1,0,0]=3 3155 B13R1.19 CN(CCO)Cc1ccc(nc1)F 269982a_100000210263_100009820150 [0,1,1,0,0,0|1,0,0]=3 3156 B13R1.19 CN(CCO)Cc1ccc(nn1)Cl 2230a_100000210263_100016992710 [0,1,1,0,0,0|2,0,0]=4 3157 B13R1.19 CN(CCO)Cc1ccc(nn1)Cl 270004a_100000210263_100000044651 [0,1,1,0,0,0|2,0,0]=4 3158 B13R1.19 CN(CCO)Cc1cnc(cn1)Cl 270004a_100000210263_100012001714 [0,1,1,0,0,0|2,0,0]=4 3159 B13R1.19 COCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000766300 [0,1,1,0,0,0|2,0,0]=4 3160 B13R1.19 COCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000766300 [0,1,1,0,0,0|2,0,0]=4 3161 B13R1.19 COCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000766300 [0,1,1,0,0,0|2,0,0]=4 3162 B13R1.19 COCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000766300 [0,1,1,0,0,0|2,0,0]=4 3163 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000766300 [0,1,1,0,0,0|2,0,0]=4 3164 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000766300 [0,1,1,0,0,0|2,0,0]=4 3165 B13R1.19 COCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000766300 [0,1,1,0,0,0|2,0,0]=4 3166 B13R1.19 COCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000766300 [0,1,1,0,0,0|2,0,0]=4 3167 B13R1.19 COCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000766300 [0,1,1,0,0,0|2,0,0]=4 3168 B13R1.19 COCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000766300 [0,1,1,0,0,0|2,0,0]=4 3169 B13R1.19 COCN(C)Cc1ccc(nc1)C 2230a_106623407658_100000766300 [0,1,1,0,0,0|1,0,0]=3 3170 B13R1.19 COCN(C)Cc1ccc(nc1)C 269982a_106623407658_100000766300 [0,1,1,0,0,0|1,0,0]=3 3171 B13R1.19 COCN(C)Cc1ccc(nc1)Cl 2230a_100000026953_100000766300 [0,1,1,0,0,0|1,0,0]=3 3172 B13R1.19 COCN(C)Cc1ccc(nc1)Cl 269982a_100000026953_100000766300 [0,1,1,0,0,0|1,0,0]=3 3173 B13R1.19 CSCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100011218213 [0,1,1,0,0,0|2,0,0]=4 3174 B13R1.19 CSCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100011218213 [0,1,1,0,0,0|2,0,0]=4 3175 B13R1.19 CSCN(C)Cc1ccc(cc1)C 2230a_100000744650_100011218213 [0,1,1,0,0,0|2,0,0]=4 3176 B13R1.19 CSCN(C)Cc1ccc(cc1)C 269982a_100000744650_100011218213 [0,1,1,0,0,0|2,0,0]=4 3177 B13R1.19 CSCN(C)Cc1ccc(cc1)C 34a_100000744650_100011218213 [0,1,1,0,0,0|2,0,0]=4 3178 B13R1.19 CSCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100011218213 [0,1,1,0,0,0|2,0,0]=4 3179 B13R1.19 CSCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100011218213 [0,1,1,0,0,0|2,0,0]=4 3180 B13R1.19 CSCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100011218213 [0,1,1,0,0,0|2,0,0]=4 3181 B13R1.19 CSCN(C)Cc1ccc(cc1)F 2230a_100000184576_100011218213 [0,1,1,0,0,0|2,0,0]=4 3182 B13R1.19 CSCN(C)Cc1ccc(cc1)F 269982a_100000184576_100011218213 [0,1,1,0,0,0|2,0,0]=4 3183 B13R1.19 CSCN(C)Cc1ccc(cc1)F 34a_100000184576_100011218213 [0,1,1,0,0,0|2,0,0]=4 3184 B13R1.19 CSCN(C)Cc1ccc(cc1)O 2230a_100000207500_100011218213 [0,1,1,0,0,0|2,0,0]=4 3185 B13R1.19 CSCN(C)Cc1ccc(cc1)O 269982a_100000207500_100011218213 [0,1,1,0,0,0|2,0,0]=4 3186 B13R1.19 CSCN(C)Cc1ccc(nc1)C 2230a_106623407658_100011218213 [0,1,1,0,0,0|1,0,0]=3 3187 B13R1.19 CSCN(C)Cc1ccc(nc1)C 269982a_106623407658_100011218213 [0,1,1,0,0,0|1,0,0]=3 3188 B13R1.19 CSCN(C)Cc1ccc(nc1)C 34a_106623407658_100011218213 [0,1,1,0,0,0|1,0,0]=3 3189 B13R1.19 CSCN(C)Cc1ccc(nc1)Cl 2230a_100000026953_100011218213 [0,1,1,0,0,0|1,0,0]=3 3190 B13R1.19 CSCN(C)Cc1ccc(nc1)Cl 269982a_100000026953_100011218213 [0,1,1,0,0,0|1,0,0]=3 3191 B13R1.19 CSCN(C)Cc1ccc(nc1)Cl 34a_100000026953_100011218213 [0,1,1,0,0,0|1,0,0]=3 3192 B13R1.19 Cc1ccc(cc1)CN(C)CCF 2230a_100000744650_100011217306 [0,1,1,0,0,0|2,0,0]=4 3193 B13R1.19 Cc1ccc(cc1)CN(C)CCF 269982a_100000744650_100011217306 [0,1,1,0,0,0|2,0,0]=4 3194 B13R1.19 Cc1ccc(cc1)CN(C)CCF 34a_100000744650_100011217306 [0,1,1,0,0,0|2,0,0]=4 3195 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000186992_200000210301 [0,1,1,0,0,0|2,0,0]=4 3196 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000210263_100000210814 [0,1,1,0,0,0|2,0,0]=4 3197 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000744650_100000211926 [0,1,1,0,0,0|2,0,0]=4 3198 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000186992_200000210301 [0,1,1,0,0,0|2,0,0]=4 3199 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000210263_100000210814 [0,1,1,0,0,0|2,0,0]=4 3200 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000744650_100000211926 [0,1,1,0,0,0|2,0,0]=4 3201 B13R1.19 Cc1ccc(cc1)CN(C)CCO 26a_100000210263_200020625495 [0,1,1,0,0,0|2,0,0]=4 3202 B13R1.19 Cc1ccc(cc1)CN(C)CCO 270004a_100000210263_100000211033 [0,1,1,0,0,0|2,0,0]=4 3203 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000186992_200000210301 [0,1,1,0,0,0|2,0,0]=4 3204 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000744650_100000211926 [0,1,1,0,0,0|2,0,0]=4 3205 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 2230a_100000186992_200025704644 [0,1,1,0,0,0|2,0,0]=4 3206 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 269982a_100000186992_200025704644 [0,1,1,0,0,0|2,0,0]=4 3207 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 34a_100000186992_200025704644 [0,1,1,0,0,0|2,0,0]=4 3208 B13R1.19 Cc1ccc(cn1)CN(C)CC#N 2230a_100000748184_100016987292 [0,1,1,0,0,0|1,0,1]=4 3209 B13R1.19 Cc1ccc(cn1)CN(C)CC#N 2230a_106623407658_100011215382 [0,1,1,0,0,0|1,0,1]=4 3210 B13R1.19 Cc1ccc(cn1)CN(C)CC#N 269982a_106623407658_100011214920 [0,1,1,0,0,0|1,0,1]=4 3211 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 2230a_106623407658_200015260668 [0,1,1,0,0,0|1,0,1]=4 3212 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 269982a_106623407658_200015260668 [0,1,1,0,0,0|1,0,1]=4 3213 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 34a_106623407658_200009817547 [0,1,1,0,0,0|1,0,1]=4 3214 B13R1.19 Cc1ccc(cn1)CN(C)CCF 2230a_106623407658_100011217306 [0,1,1,0,0,0|1,0,0]=3 3215 B13R1.19 Cc1ccc(cn1)CN(C)CCF 269982a_106623407658_100011217306 [0,1,1,0,0,0|1,0,0]=3 3216 B13R1.19 Cc1ccc(cn1)CN(C)CCF 34a_106623407658_100011217306 [0,1,1,0,0,0|1,0,0]=3 3217 B13R1.19 Cc1ccc(cn1)CN(C)CCO 2230a_100000210263_100016987292 [0,1,1,0,0,0|1,0,0]=3 3218 B13R1.19 Cc1ccc(cn1)CN(C)CCO 2230a_106623407658_100000211926 [0,1,1,0,0,0|1,0,0]=3 3219 B13R1.19 Cc1ccc(cn1)CN(C)CCO 269982a_100000210263_100016987292 [0,1,1,0,0,0|1,0,0]=3 3220 B13R1.19 Cc1ccc(cn1)CN(C)CCO 269982a_106623407658_100000211926 [0,1,1,0,0,0|1,0,0]=3 3221 B13R1.19 Cc1ccc(cn1)CN(C)CCO 270004a_100000210263_100000743784 [0,1,1,0,0,0|1,0,0]=3 3222 B13R1.19 Cc1ccc(cn1)CN(C)CCO 34a_106623407658_100000211926 [0,1,1,0,0,0|1,0,0]=3 3223 B13R1.19 Cc1cnc(cn1)CN(C)CCO 2230a_100000210263_100000752025 [0,1,1,0,0,0|2,0,0]=4 3224 B13R1.19 Cc1cnc(cn1)CN(C)CCO 269982a_100000210263_100000752025 [0,1,1,0,0,0|2,0,0]=4 3225 B13R1.19 Cc1cnc(cn1)CN(C)CCO 270004a_100000210263_100000685221 [0,1,1,0,0,0|2,0,0]=4 3226 B13R1.19 Cc1ncc(cn1)CN(C)CCO 270004a_100000210263_100011202771 [0,1,1,0,0,0|2,0,0]=4 3227 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200025704644 [0,1,1,0,0,0|2,0,0]=4 3228 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200025704644 [0,1,1,0,0,0|2,0,0]=4 3229 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 34a_100000186819_200025704644 [0,1,1,0,0,0|2,0,0]=4 3230 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 2230a_100015183715_200025704644 [0,1,1,0,0,0|2,0,0]=4 3231 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 269982a_100015183715_200025704644 [0,1,1,0,0,0|2,0,0]=4 3232 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 34a_100015183715_200025704644 [0,1,1,0,0,0|2,0,0]=4 3233 B13R1.20 C#CCN(C)Cc1cncc(c1)Br 2230a_100000225692_100000738771 [0,1,1,0,0,0|0,0,2]=4 3234 B13R1.20 C#CCN(C)Cc1cncc(c1)Br 2230a_103549770560_100000038162 [0,1,1,0,0,0|0,0,2]=4 3235 B13R1.20 C#CCN(C)Cc1cncc(c1)Br 270004a_100000225692_100000687066 [0,1,1,0,0,0|0,0,2]=4 3236 B13R1.20 C#CCN(C)Cc1cncc(c1)Br 34a_100000225692_100000738771 [0,1,1,0,0,0|0,0,2]=4 3237 B13R1.20 C#CCN(C)Cc1cncc(c1)C 2230a_100000225692_100000716715 [0,1,1,0,0,0|0,0,2]=4 3238 B13R1.20 C#CCN(C)Cc1cncc(c1)C 270004a_100000225692_100011998712 [0,1,1,0,0,0|0,0,2]=4 3239 B13R1.20 C#CCN(C)Cc1cncc(c1)C 34a_100000225692_100000716715 [0,1,1,0,0,0|0,0,2]=4 3240 B13R1.20 C#CCN(C)Cc1cncc(c1)Cl 2230a_100000225692_100016992070 [0,1,1,0,0,0|0,0,2]=4 3241 B13R1.20 C#CCN(C)Cc1cncc(c1)Cl 270004a_100000225692_100000088910 [0,1,1,0,0,0|0,0,2]=4 3242 B13R1.20 C#CCN(C)Cc1cncc(c1)Cl 34a_100000225692_100016992070 [0,1,1,0,0,0|0,0,2]=4 3243 B13R1.20 C#CCN(C)Cc1cncc(c1)F 2230a_100000225692_100000725299 [0,1,1,0,0,0|0,0,2]=4 3244 B13R1.20 C#CCN(C)Cc1cncc(c1)F 270004a_100000225692_100011361476 [0,1,1,0,0,0|0,0,2]=4 3245 B13R1.20 C#CCN(C)Cc1cncc(c1)F 34a_100000225692_100000725299 [0,1,1,0,0,0|0,0,2]=4 3246 B13R1.20 C#CCN(C)Cc1cncc(c1)O 270004a_100000225692_100012187055 [0,1,1,0,0,0|0,0,2]=4 3247 B13R1.20 C=CCN(C)Cc1cncc(c1)Br 2230a_100000225617_100000738771 [0,1,1,0,0,0|0,0,2]=4 3248 B13R1.20 C=CCN(C)Cc1cncc(c1)Br 2230a_103549770560_100000210623 [0,1,1,0,0,0|0,0,2]=4 3249 B13R1.20 C=CCN(C)Cc1cncc(c1)Br 269982a_100000225617_100000738771 [0,1,1,0,0,0|0,0,2]=4 3250 B13R1.20 C=CCN(C)Cc1cncc(c1)Br 269982a_103549770560_100000210623 [0,1,1,0,0,0|0,0,2]=4 3251 B13R1.20 C=CCN(C)Cc1cncc(c1)Br 270004a_100000225617_100000687066 [0,1,1,0,0,0|0,0,2]=4 3252 B13R1.20 C=CCN(C)Cc1cncc(c1)C 2230a_100000225617_100000716715 [0,1,1,0,0,0|0,0,2]=4 3253 B13R1.20 C=CCN(C)Cc1cncc(c1)C 269982a_100000225617_100000716715 [0,1,1,0,0,0|0,0,2]=4 3254 B13R1.20 C=CCN(C)Cc1cncc(c1)C 270004a_100000225617_100011998712 [0,1,1,0,0,0|0,0,2]=4 3255 B13R1.20 C=CCN(C)Cc1cncc(c1)Cl 2230a_100000225617_100016992070 [0,1,1,0,0,0|0,0,2]=4 3256 B13R1.20 C=CCN(C)Cc1cncc(c1)Cl 269982a_100000225617_100016992070 [0,1,1,0,0,0|0,0,2]=4 3257 B13R1.20 C=CCN(C)Cc1cncc(c1)Cl 270004a_100000225617_100000088910 [0,1,1,0,0,0|0,0,2]=4 3258 B13R1.20 C=CCN(C)Cc1cncc(c1)F 2230a_100000225617_100000725299 [0,1,1,0,0,0|0,0,2]=4 3259 B13R1.20 C=CCN(C)Cc1cncc(c1)F 269982a_100000225617_100000725299 [0,1,1,0,0,0|0,0,2]=4 3260 B13R1.20 C=CCN(C)Cc1cncc(c1)F 270004a_100000225617_100011361476 [0,1,1,0,0,0|0,0,2]=4 3261 B13R1.20 C=CCN(C)Cc1cncc(c1)O 270004a_100000225617_100012187055 [0,1,1,0,0,0|0,0,2]=4 3262 B13R1.20 CCCC(=O)Cc1cncc(c1)Br 1458a_100000211992_100011740620 [0,1,1,0,0,0|2,0,0]=4 3263 B13R1.20 CCCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210303 [0,1,1,0,0,0|2,0,0]=4 3264 B13R1.20 CCCC(=O)Cc1cncc(c1)C 1458a_100000211992_100000716715 [0,1,1,0,0,0|2,0,0]=4 3265 B13R1.20 CCCC(=O)Cc1cncc(c1)Cl 1458a_100000211992_100016992070 [0,1,1,0,0,0|2,0,0]=4 3266 B13R1.20 CCCC(=O)Cc1cncc(c1)F 1458a_100000211992_100000725299 [0,1,1,0,0,0|2,0,0]=4 3267 B13R1.20 CCCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210303 [0,1,1,0,0,0|2,0,0]=4 3268 B13R1.20 CCCC(C)Oc1cncc(c1)Br 34a_100000754920_100000766640 [0,1,1,0,0,0|2,0,0]=4 3269 B13R1.20 CCCC(C)Oc1cncc(c1)Br 7a_100000754920_100000766640 [0,1,1,0,0,0|2,0,0]=4 3270 B13R1.20 CCCC(C)Oc1cncc(c1)C 34a_100011830280_100000766640 [0,1,1,0,0,0|2,0,0]=4 3271 B13R1.20 CCCC(C)Oc1cncc(c1)C 7a_100011830280_100000766640 [0,1,1,0,0,0|2,0,0]=4 3272 B13R1.20 CCCC(C)Oc1cncc(c1)Cl 7a_100000032511_100000766640 [0,1,1,0,0,0|2,0,0]=4 3273 B13R1.20 CCCC(C)Oc1cncc(c1)F 34a_100011830296_100000766640 [0,1,1,0,0,0|2,0,0]=4 3274 B13R1.20 CCCC(C)Oc1cncc(c1)F 7a_100011830296_100000766640 [0,1,1,0,0,0|2,0,0]=4 3275 B13R1.20 CCCC(C)Oc1cncc(c1)N 34a_100011997051_100000766640 [0,1,1,0,0,0|2,0,0]=4 3276 B13R1.20 CCCC(C)Sc1cncc(c1)Br 62a_100000728054_100000766640 [0,1,1,0,0,0|2,0,0]=4 3277 B13R1.20 CCCC(C)Sc1cncc(c1)Br 62a_100000766640_100000728054 [0,1,1,0,0,0|2,0,0]=4 3278 B13R1.20 CCCC(C)Sc1cncc(c1)C 62a_100000760492_100000766640 [0,1,1,0,0,0|2,0,0]=4 3279 B13R1.20 CCCC(C)Sc1cncc(c1)C 62a_100000766640_100000760492 [0,1,1,0,0,0|2,0,0]=4 3280 B13R1.20 CCCC(C)Sc1cncc(c1)Cl 62a_100000049639_100000766640 [0,1,1,0,0,0|2,0,0]=4 3281 B13R1.20 CCCC(C)Sc1cncc(c1)Cl 62a_100000766640_100000049639 [0,1,1,0,0,0|2,0,0]=4 3282 B13R1.20 CCCC(C)Sc1cncc(c1)F 62a_100000744099_100000766640 [0,1,1,0,0,0|2,0,0]=4 3283 B13R1.20 CCCC(C)Sc1cncc(c1)F 62a_100000766640_100000744099 [0,1,1,0,0,0|2,0,0]=4 3284 B13R1.20 CCCC(C)Sc1cncc(c1)N 62a_100000687067_100000766640 [0,1,1,0,0,0|2,0,0]=4 3285 B13R1.20 CCCC(C)Sc1cncc(c1)N 62a_100000766640_100000687067 [0,1,1,0,0,0|2,0,0]=4 3286 B13R1.20 CCCC(C)Sc1cncc(c1)O 62a_100000754920_100000766640 [0,1,1,0,0,0|2,0,0]=4 3287 B13R1.20 CCCC(C)Sc1cncc(c1)O 62a_100000766640_100000754920 [0,1,1,0,0,0|2,0,0]=4 3288 B13R1.20 CCCN(C)Cc1cc(ccn1)Br 2230a_100000747261_100010173614 [0,1,1,0,0,0|2,0,0]=4 3289 B13R1.20 CCCN(C)Cc1cc(ccn1)Br 269982a_100000747261_100010173614 [0,1,1,0,0,0|2,0,0]=4 3290 B13R1.20 CCCN(C)Cc1cc(ccn1)Br 270004a_100000747261_100009818557 [0,1,1,0,0,0|2,0,0]=4 3291 B13R1.20 CCCN(C)Cc1cc(ccn1)C 2230a_100000747261_100000718516 [0,1,1,0,0,0|2,0,0]=4 3292 B13R1.20 CCCN(C)Cc1cc(ccn1)C 2230a_106354213154_100000210303 [0,1,1,0,0,0|2,0,0]=4 3293 B13R1.20 CCCN(C)Cc1cc(ccn1)C 269982a_100000747261_100000718516 [0,1,1,0,0,0|2,0,0]=4 3294 B13R1.20 CCCN(C)Cc1cc(ccn1)C 269982a_106354213154_100000210303 [0,1,1,0,0,0|2,0,0]=4 3295 B13R1.20 CCCN(C)Cc1cc(ccn1)C 270004a_100000747261_100011361488 [0,1,1,0,0,0|2,0,0]=4 3296 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 2230a_100000747261_100016988179 [0,1,1,0,0,0|2,0,0]=4 3297 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 2230a_100102954512_100000210303 [0,1,1,0,0,0|2,0,0]=4 3298 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 269982a_100000747261_100016988179 [0,1,1,0,0,0|2,0,0]=4 3299 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 269982a_100102954512_100000210303 [0,1,1,0,0,0|2,0,0]=4 3300 B13R1.20 CCCN(C)Cc1cc(ccn1)Cl 270004a_100000747261_100011998288 [0,1,1,0,0,0|2,0,0]=4 3301 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210303 [0,1,1,0,0,0|1,0,0]=3 3302 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000747261_100000698116 [0,1,1,0,0,0|1,0,0]=3 3303 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100015184641_200000210301 [0,1,1,0,0,0|1,0,0]=3 3304 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210303 [0,1,1,0,0,0|1,0,0]=3 3305 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000747261_100000211773 [0,1,1,0,0,0|1,0,0]=3 3306 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100015184641_200000210301 [0,1,1,0,0,0|1,0,0]=3 3307 B13R1.20 CCCN(C)Cc1cccc(c1)Br 26a_100000747261_100000210342 [0,1,1,0,0,0|1,0,0]=3 3308 B13R1.20 CCCN(C)Cc1cccc(c1)Br 270004a_100000747261_100000210085 [0,1,1,0,0,0|1,0,0]=3 3309 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_100000747261_100000211840 [0,1,1,0,0,0|1,0,0]=3 3310 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210303 [0,1,1,0,0,0|1,0,0]=3 3311 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_100000747261_100000211840 [0,1,1,0,0,0|1,0,0]=3 3312 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210303 [0,1,1,0,0,0|1,0,0]=3 3313 B13R1.20 CCCN(C)Cc1cccc(c1)C 270004a_100000747261_100000211157 [0,1,1,0,0,0|1,0,0]=3 3314 B13R1.20 CCCN(C)Cc1cccc(c1)C 34a_102495364743_100000210303 [0,1,1,0,0,0|1,0,0]=3 3315 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100000747261_100000181238 [0,1,1,0,0,0|1,0,0]=3 3316 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100015184648_200000210301 [0,1,1,0,0,0|1,0,0]=3 3317 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210303 [0,1,1,0,0,0|1,0,0]=3 3318 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100000747261_100000181238 [0,1,1,0,0,0|1,0,0]=3 3319 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100015184648_200000210301 [0,1,1,0,0,0|1,0,0]=3 3320 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210303 [0,1,1,0,0,0|1,0,0]=3 3321 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 270004a_100000747261_100000210801 [0,1,1,0,0,0|1,0,0]=3 3322 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 34a_100015184648_200000210301 [0,1,1,0,0,0|1,0,0]=3 3323 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210303 [0,1,1,0,0,0|1,0,0]=3 3324 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000747261_100000230114 [0,1,1,0,0,0|1,0,0]=3 3325 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210303 [0,1,1,0,0,0|1,0,0]=3 3326 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000747261_100000230114 [0,1,1,0,0,0|1,0,0]=3 3327 B13R1.20 CCCN(C)Cc1cccc(c1)F 270004a_100000747261_100000210812 [0,1,1,0,0,0|1,0,0]=3 3328 B13R1.20 CCCN(C)Cc1cccc(c1)F 34a_100000184398_100000210303 [0,1,1,0,0,0|1,0,0]=3 3329 B13R1.20 CCCN(C)Cc1cccc(c1)I 2230a_100000747261_100011218688 [0,1,1,0,0,0|1,0,0]=3 3330 B13R1.20 CCCN(C)Cc1cccc(c1)I 269982a_100000747261_100011218688 [0,1,1,0,0,0|1,0,0]=3 3331 B13R1.20 CCCN(C)Cc1cccc(c1)I 270004a_100000747261_100000014684 [0,1,1,0,0,0|1,0,0]=3 3332 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210303 [0,1,1,0,0,0|1,0,0]=3 3333 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000747261_100011660834 [0,1,1,0,0,0|1,0,0]=3 3334 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210303 [0,1,1,0,0,0|1,0,0]=3 3335 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000747261_100000084143 [0,1,1,0,0,0|1,0,0]=3 3336 B13R1.20 CCCN(C)Cc1cccc(c1)O 270004a_100000747261_100000188321 [0,1,1,0,0,0|1,0,0]=3 3337 B13R1.20 CCCN(C)Cc1cccc(n1)Br 2230a_100000747261_100009889011 [0,1,1,0,0,0|2,0,0]=4 3338 B13R1.20 CCCN(C)Cc1cccc(n1)Br 2230a_106354212997_100000210303 [0,1,1,0,0,0|2,0,0]=4 3339 B13R1.20 CCCN(C)Cc1cccc(n1)Br 269982a_100000747261_100009889011 [0,1,1,0,0,0|2,0,0]=4 3340 B13R1.20 CCCN(C)Cc1cccc(n1)Br 269982a_106354212997_100000210303 [0,1,1,0,0,0|2,0,0]=4 3341 B13R1.20 CCCN(C)Cc1cccc(n1)Br 270004a_100000747261_100000688028 [0,1,1,0,0,0|2,0,0]=4 3342 B13R1.20 CCCN(C)Cc1cccc(n1)C 2230a_100000687132_100000210303 [0,1,1,0,0,0|2,0,0]=4 3343 B13R1.20 CCCN(C)Cc1cccc(n1)C 2230a_100000747261_100000757606 [0,1,1,0,0,0|2,0,0]=4 3344 B13R1.20 CCCN(C)Cc1cccc(n1)C 269982a_100000687132_100000210303 [0,1,1,0,0,0|2,0,0]=4 3345 B13R1.20 CCCN(C)Cc1cccc(n1)C 269982a_100000747261_100000757606 [0,1,1,0,0,0|2,0,0]=4 3346 B13R1.20 CCCN(C)Cc1cccc(n1)C 270004a_100000747261_100011215050 [0,1,1,0,0,0|2,0,0]=4 3347 B13R1.20 CCCN(C)Cc1cccc(n1)Cl 2230a_100000747261_100000086093 [0,1,1,0,0,0|2,0,0]=4 3348 B13R1.20 CCCN(C)Cc1cccc(n1)Cl 269982a_100000747261_100000086093 [0,1,1,0,0,0|2,0,0]=4 3349 B13R1.20 CCCN(C)Cc1cccc(n1)Cl 270004a_100000747261_100011361687 [0,1,1,0,0,0|2,0,0]=4 3350 B13R1.20 CCCN(C)Cc1cccc(n1)F 2230a_100000747261_100009819644 [0,1,1,0,0,0|2,0,0]=4 3351 B13R1.20 CCCN(C)Cc1cccc(n1)F 269982a_100000747261_100009819644 [0,1,1,0,0,0|2,0,0]=4 3352 B13R1.20 CCCN(C)Cc1cccc(n1)F 270004a_100000747261_100000050434 [0,1,1,0,0,0|2,0,0]=4 3353 B13R1.20 CCCN(C)Cc1ccnc(c1)Br 2230a_100000747261_100010243470 [0,1,1,0,0,0|2,0,0]=4 3354 B13R1.20 CCCN(C)Cc1ccnc(c1)Br 269982a_100000747261_100010254460 [0,1,1,0,0,0|2,0,0]=4 3355 B13R1.20 CCCN(C)Cc1ccnc(c1)Br 270004a_100000747261_100009814634 [0,1,1,0,0,0|2,0,0]=4 3356 B13R1.20 CCCN(C)Cc1ccnc(c1)C 2230a_100000747261_200020672517 [0,1,1,0,0,0|2,0,0]=4 3357 B13R1.20 CCCN(C)Cc1ccnc(c1)C 269982a_100000747261_200020672517 [0,1,1,0,0,0|2,0,0]=4 3358 B13R1.20 CCCN(C)Cc1ccnc(c1)C 270004a_100000747261_100011361630 [0,1,1,0,0,0|2,0,0]=4 3359 B13R1.20 CCCN(C)Cc1ccnc(c1)Cl 2230a_100000747261_100000764220 [0,1,1,0,0,0|2,0,0]=4 3360 B13R1.20 CCCN(C)Cc1ccnc(c1)Cl 269982a_100000747261_100000764220 [0,1,1,0,0,0|2,0,0]=4 3361 B13R1.20 CCCN(C)Cc1ccnc(c1)Cl 270004a_100000747261_100011290808 [0,1,1,0,0,0|2,0,0]=4 3362 B13R1.20 CCCN(C)Cc1ccnc(c1)F 270004a_100000747261_100000068331 [0,1,1,0,0,0|2,0,0]=4 3363 B13R1.20 CCCN(C)Cc1cncc(c1)Br 2230a_100000747261_100000738771 [0,1,1,0,0,0|0,0,0]=2 3364 B13R1.20 CCCN(C)Cc1cncc(c1)Br 2230a_103549770560_100000210303 [0,1,1,0,0,0|0,0,0]=2 3365 B13R1.20 CCCN(C)Cc1cncc(c1)Br 269982a_100000747261_100000738771 [0,1,1,0,0,0|0,0,0]=2 3366 B13R1.20 CCCN(C)Cc1cncc(c1)Br 269982a_103549770560_100000210303 [0,1,1,0,0,0|0,0,0]=2 3367 B13R1.20 CCCN(C)Cc1cncc(c1)Br 270004a_100000747261_100000687066 [0,1,1,0,0,0|0,0,0]=2 3368 B13R1.20 CCCN(C)Cc1cncc(c1)C 2230a_100000747261_100000716715 [0,1,1,0,0,0|0,0,0]=2 3369 B13R1.20 CCCN(C)Cc1cncc(c1)C 269982a_100000747261_100000716715 [0,1,1,0,0,0|0,0,0]=2 3370 B13R1.20 CCCN(C)Cc1cncc(c1)C 270004a_100000747261_100011998712 [0,1,1,0,0,0|0,0,0]=2 3371 B13R1.20 CCCN(C)Cc1cncc(c1)Cl 2230a_100000747261_100016992070 [0,1,1,0,0,0|0,0,0]=2 3372 B13R1.20 CCCN(C)Cc1cncc(c1)Cl 269982a_100000747261_100016992070 [0,1,1,0,0,0|0,0,0]=2 3373 B13R1.20 CCCN(C)Cc1cncc(c1)Cl 270004a_100000747261_100000088910 [0,1,1,0,0,0|0,0,0]=2 3374 B13R1.20 CCCN(C)Cc1cncc(c1)F 2230a_100000747261_100000725299 [0,1,1,0,0,0|0,0,0]=2 3375 B13R1.20 CCCN(C)Cc1cncc(c1)F 269982a_100000747261_100000725299 [0,1,1,0,0,0|0,0,0]=2 3376 B13R1.20 CCCN(C)Cc1cncc(c1)F 270004a_100000747261_100011361476 [0,1,1,0,0,0|0,0,0]=2 3377 B13R1.20 CCCN(C)Cc1cncc(c1)O 270004a_100000747261_100012187055 [0,1,1,0,0,0|0,0,0]=2 3378 B13R1.20 CCCN(C)Cc1cncc(n1)C 270004a_100000747261_100000100294 [0,1,1,0,0,0|1,0,0]=3 3379 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 2230a_100015184641_200025704644 [0,1,1,0,0,0|1,0,0]=3 3380 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 269982a_100015184641_200025704644 [0,1,1,0,0,0|1,0,0]=3 3381 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 2230a_100015184648_200025704644 [0,1,1,0,0,0|1,0,0]=3 3382 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 269982a_100015184648_200025704644 [0,1,1,0,0,0|1,0,0]=3 3383 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 34a_100015184648_200025704644 [0,1,1,0,0,0|1,0,0]=3 3384 B13R1.20 CN(CC#N)Cc1cncc(c1)Br 2230a_100000748184_100000738771 [0,1,1,0,0,0|1,0,1]=4 3385 B13R1.20 CN(CC#N)Cc1cncc(c1)Br 2230a_103549770560_100011215382 [0,1,1,0,0,0|1,0,1]=4 3386 B13R1.20 CN(CC#N)Cc1cncc(c1)Br 269982a_103549770560_100011214920 [0,1,1,0,0,0|1,0,1]=4 3387 B13R1.20 CN(CC#N)Cc1cncc(c1)Cl 2230a_100000748184_100016992070 [0,1,1,0,0,0|1,0,1]=4 3388 B13R1.20 CN(CC#N)Cc1cncc(c1)F 2230a_100000748184_100000725299 [0,1,1,0,0,0|1,0,1]=4 3389 B13R1.20 CN(CC=O)Cc1cncc(c1)Br 2230a_103549770560_200015260668 [0,1,1,0,0,0|1,0,1]=4 3390 B13R1.20 CN(CC=O)Cc1cncc(c1)Br 269982a_103549770560_200015260668 [0,1,1,0,0,0|1,0,1]=4 3391 B13R1.20 CN(CCF)Cc1cccc(c1)Br 2230a_100000187585_100011217306 [0,1,1,0,0,0|2,0,0]=4 3392 B13R1.20 CN(CCF)Cc1cccc(c1)Br 269982a_100000187585_100011217306 [0,1,1,0,0,0|2,0,0]=4 3393 B13R1.20 CN(CCF)Cc1cccc(c1)Cl 2230a_100020629429_100011217306 [0,1,1,0,0,0|2,0,0]=4 3394 B13R1.20 CN(CCF)Cc1cccc(c1)Cl 269982a_100020629429_100011217306 [0,1,1,0,0,0|2,0,0]=4 3395 B13R1.20 CN(CCF)Cc1cccc(c1)F 2230a_100000184398_100011217306 [0,1,1,0,0,0|2,0,0]=4 3396 B13R1.20 CN(CCF)Cc1cccc(c1)F 269982a_100000184398_100011217306 [0,1,1,0,0,0|2,0,0]=4 3397 B13R1.20 CN(CCF)Cc1cccc(c1)F 34a_100000184398_100011217306 [0,1,1,0,0,0|2,0,0]=4 3398 B13R1.20 CN(CCF)Cc1cccc(c1)O 2230a_100000207540_100011217306 [0,1,1,0,0,0|2,0,0]=4 3399 B13R1.20 CN(CCF)Cc1cccc(c1)O 269982a_100000207540_100011217306 [0,1,1,0,0,0|2,0,0]=4 3400 B13R1.20 CN(CCF)Cc1cncc(c1)Br 2230a_103549770560_100011217306 [0,1,1,0,0,0|1,0,0]=3 3401 B13R1.20 CN(CCF)Cc1cncc(c1)Br 269982a_103549770560_100011217306 [0,1,1,0,0,0|1,0,0]=3 3402 B13R1.20 CN(CCO)Cc1cccc(c1)Br 2230a_100000187585_100000211926 [0,1,1,0,0,0|2,0,0]=4 3403 B13R1.20 CN(CCO)Cc1cccc(c1)Br 2230a_100000210263_100000698116 [0,1,1,0,0,0|2,0,0]=4 3404 B13R1.20 CN(CCO)Cc1cccc(c1)Br 269982a_100000187585_100000211926 [0,1,1,0,0,0|2,0,0]=4 3405 B13R1.20 CN(CCO)Cc1cccc(c1)Br 269982a_100000210263_100000211773 [0,1,1,0,0,0|2,0,0]=4 3406 B13R1.20 CN(CCO)Cc1cccc(c1)Br 26a_100000210263_100000210342 [0,1,1,0,0,0|2,0,0]=4 3407 B13R1.20 CN(CCO)Cc1cccc(c1)Br 270004a_100000210263_100000210085 [0,1,1,0,0,0|2,0,0]=4 3408 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100000210263_100000181238 [0,1,1,0,0,0|2,0,0]=4 3409 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100000719050_200000210301 [0,1,1,0,0,0|2,0,0]=4 3410 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100020629429_100000211926 [0,1,1,0,0,0|2,0,0]=4 3411 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100000210263_100000181238 [0,1,1,0,0,0|2,0,0]=4 3412 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100000719050_200000210301 [0,1,1,0,0,0|2,0,0]=4 3413 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100020629429_100000211926 [0,1,1,0,0,0|2,0,0]=4 3414 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 270004a_100000210263_100000210801 [0,1,1,0,0,0|2,0,0]=4 3415 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 34a_100000719050_200000210301 [0,1,1,0,0,0|2,0,0]=4 3416 B13R1.20 CN(CCO)Cc1cccc(c1)F 2230a_100000184398_100000211926 [0,1,1,0,0,0|2,0,0]=4 3417 B13R1.20 CN(CCO)Cc1cccc(c1)F 2230a_100000210263_100000230114 [0,1,1,0,0,0|2,0,0]=4 3418 B13R1.20 CN(CCO)Cc1cccc(c1)F 269982a_100000184398_100000211926 [0,1,1,0,0,0|2,0,0]=4 3419 B13R1.20 CN(CCO)Cc1cccc(c1)F 269982a_100000210263_100000230114 [0,1,1,0,0,0|2,0,0]=4 3420 B13R1.20 CN(CCO)Cc1cccc(c1)F 270004a_100000210263_100000210812 [0,1,1,0,0,0|2,0,0]=4 3421 B13R1.20 CN(CCO)Cc1cccc(c1)F 34a_100000184398_100000211926 [0,1,1,0,0,0|2,0,0]=4 3422 B13R1.20 CN(CCO)Cc1cccc(c1)I 2230a_100000210263_100011218688 [0,1,1,0,0,0|2,0,0]=4 3423 B13R1.20 CN(CCO)Cc1cccc(c1)I 269982a_100000210263_100011218688 [0,1,1,0,0,0|2,0,0]=4 3424 B13R1.20 CN(CCO)Cc1cccc(c1)I 270004a_100000210263_100000014684 [0,1,1,0,0,0|2,0,0]=4 3425 B13R1.20 CN(CCO)Cc1cccc(c1)O 2230a_100000207540_100000211926 [0,1,1,0,0,0|2,0,0]=4 3426 B13R1.20 CN(CCO)Cc1cccc(c1)O 2230a_100000210263_100011660834 [0,1,1,0,0,0|2,0,0]=4 3427 B13R1.20 CN(CCO)Cc1cccc(c1)O 269982a_100000207540_100000211926 [0,1,1,0,0,0|2,0,0]=4 3428 B13R1.20 CN(CCO)Cc1cccc(c1)O 269982a_100000210263_100000084143 [0,1,1,0,0,0|2,0,0]=4 3429 B13R1.20 CN(CCO)Cc1cccc(c1)O 270004a_100000210263_100000188321 [0,1,1,0,0,0|2,0,0]=4 3430 B13R1.20 CN(CCO)Cc1cncc(c1)Br 2230a_100000210263_100000738771 [0,1,1,0,0,0|1,0,0]=3 3431 B13R1.20 CN(CCO)Cc1cncc(c1)Br 2230a_103549770560_100000211926 [0,1,1,0,0,0|1,0,0]=3 3432 B13R1.20 CN(CCO)Cc1cncc(c1)Br 269982a_100000210263_100000738771 [0,1,1,0,0,0|1,0,0]=3 3433 B13R1.20 CN(CCO)Cc1cncc(c1)Br 269982a_103549770560_100000211926 [0,1,1,0,0,0|1,0,0]=3 3434 B13R1.20 CN(CCO)Cc1cncc(c1)Br 270004a_100000210263_100000687066 [0,1,1,0,0,0|1,0,0]=3 3435 B13R1.20 CN(CCO)Cc1cncc(c1)Cl 2230a_100000210263_100016992070 [0,1,1,0,0,0|1,0,0]=3 3436 B13R1.20 CN(CCO)Cc1cncc(c1)Cl 269982a_100000210263_100016992070 [0,1,1,0,0,0|1,0,0]=3 3437 B13R1.20 CN(CCO)Cc1cncc(c1)Cl 270004a_100000210263_100000088910 [0,1,1,0,0,0|1,0,0]=3 3438 B13R1.20 CN(CCO)Cc1cncc(c1)F 2230a_100000210263_100000725299 [0,1,1,0,0,0|1,0,0]=3 3439 B13R1.20 CN(CCO)Cc1cncc(c1)F 269982a_100000210263_100000725299 [0,1,1,0,0,0|1,0,0]=3 3440 B13R1.20 CN(CCO)Cc1cncc(c1)F 270004a_100000210263_100011361476 [0,1,1,0,0,0|1,0,0]=3 3441 B13R1.20 CN(CCO)Cc1cncc(c1)O 270004a_100000210263_100012187055 [0,1,1,0,0,0|1,0,0]=3 3442 B13R1.20 COCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000766300 [0,1,1,0,0,0|2,0,0]=4 3443 B13R1.20 COCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000766300 [0,1,1,0,0,0|2,0,0]=4 3444 B13R1.20 COCN(C)Cc1cccc(c1)C 2230a_102495364743_100000766300 [0,1,1,0,0,0|2,0,0]=4 3445 B13R1.20 COCN(C)Cc1cccc(c1)C 269982a_102495364743_100000766300 [0,1,1,0,0,0|2,0,0]=4 3446 B13R1.20 COCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000766300 [0,1,1,0,0,0|2,0,0]=4 3447 B13R1.20 COCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000766300 [0,1,1,0,0,0|2,0,0]=4 3448 B13R1.20 COCN(C)Cc1cccc(c1)F 2230a_100000184398_100000766300 [0,1,1,0,0,0|2,0,0]=4 3449 B13R1.20 COCN(C)Cc1cccc(c1)F 269982a_100000184398_100000766300 [0,1,1,0,0,0|2,0,0]=4 3450 B13R1.20 COCN(C)Cc1cccc(c1)O 2230a_100000207540_100000766300 [0,1,1,0,0,0|2,0,0]=4 3451 B13R1.20 COCN(C)Cc1cccc(c1)O 269982a_100000207540_100000766300 [0,1,1,0,0,0|2,0,0]=4 3452 B13R1.20 COCN(C)Cc1cncc(c1)Br 2230a_103549770560_100000766300 [0,1,1,0,0,0|1,0,0]=3 3453 B13R1.20 COCN(C)Cc1cncc(c1)Br 269982a_103549770560_100000766300 [0,1,1,0,0,0|1,0,0]=3 3454 B13R1.20 CSCN(C)Cc1cccc(c1)Br 2230a_100000187585_100011218213 [0,1,1,0,0,0|2,0,0]=4 3455 B13R1.20 CSCN(C)Cc1cccc(c1)Br 269982a_100000187585_100011218213 [0,1,1,0,0,0|2,0,0]=4 3456 B13R1.20 CSCN(C)Cc1cccc(c1)C 2230a_102495364743_100011218213 [0,1,1,0,0,0|2,0,0]=4 3457 B13R1.20 CSCN(C)Cc1cccc(c1)C 269982a_102495364743_100011218213 [0,1,1,0,0,0|2,0,0]=4 3458 B13R1.20 CSCN(C)Cc1cccc(c1)C 34a_102495364743_100011218213 [0,1,1,0,0,0|2,0,0]=4 3459 B13R1.20 CSCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100011218213 [0,1,1,0,0,0|2,0,0]=4 3460 B13R1.20 CSCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100011218213 [0,1,1,0,0,0|2,0,0]=4 3461 B13R1.20 CSCN(C)Cc1cccc(c1)F 2230a_100000184398_100011218213 [0,1,1,0,0,0|2,0,0]=4 3462 B13R1.20 CSCN(C)Cc1cccc(c1)F 269982a_100000184398_100011218213 [0,1,1,0,0,0|2,0,0]=4 3463 B13R1.20 CSCN(C)Cc1cccc(c1)F 34a_100000184398_100011218213 [0,1,1,0,0,0|2,0,0]=4 3464 B13R1.20 CSCN(C)Cc1cccc(c1)O 2230a_100000207540_100011218213 [0,1,1,0,0,0|2,0,0]=4 3465 B13R1.20 CSCN(C)Cc1cccc(c1)O 269982a_100000207540_100011218213 [0,1,1,0,0,0|2,0,0]=4 3466 B13R1.20 CSCN(C)Cc1cncc(c1)Br 2230a_103549770560_100011218213 [0,1,1,0,0,0|1,0,0]=3 3467 B13R1.20 CSCN(C)Cc1cncc(c1)Br 269982a_103549770560_100011218213 [0,1,1,0,0,0|1,0,0]=3 3468 B13R1.20 Cc1cccc(c1)CN(C)CCF 2230a_102495364743_100011217306 [0,1,1,0,0,0|2,0,0]=4 3469 B13R1.20 Cc1cccc(c1)CN(C)CCF 269982a_102495364743_100011217306 [0,1,1,0,0,0|2,0,0]=4 3470 B13R1.20 Cc1cccc(c1)CN(C)CCF 34a_102495364743_100011217306 [0,1,1,0,0,0|2,0,0]=4 3471 B13R1.20 Cc1cccc(c1)CN(C)CCO 2230a_100000210263_100000211840 [0,1,1,0,0,0|2,0,0]=4 3472 B13R1.20 Cc1cccc(c1)CN(C)CCO 2230a_102495364743_100000211926 [0,1,1,0,0,0|2,0,0]=4 3473 B13R1.20 Cc1cccc(c1)CN(C)CCO 269982a_100000210263_100000211840 [0,1,1,0,0,0|2,0,0]=4 3474 B13R1.20 Cc1cccc(c1)CN(C)CCO 269982a_102495364743_100000211926 [0,1,1,0,0,0|2,0,0]=4 3475 B13R1.20 Cc1cccc(c1)CN(C)CCO 270004a_100000210263_100000211157 [0,1,1,0,0,0|2,0,0]=4 3476 B13R1.20 Cc1cccc(c1)CN(C)CCO 34a_102495364743_100000211926 [0,1,1,0,0,0|2,0,0]=4 3477 B13R1.20 Cc1cncc(c1)CN(C)CC#N 2230a_100000748184_100000716715 [0,1,1,0,0,0|1,0,1]=4 3478 B13R1.20 Cc1cncc(c1)CN(C)CCO 2230a_100000210263_100000716715 [0,1,1,0,0,0|1,0,0]=3 3479 B13R1.20 Cc1cncc(c1)CN(C)CCO 269982a_100000210263_100000716715 [0,1,1,0,0,0|1,0,0]=3 3480 B13R1.20 Cc1cncc(c1)CN(C)CCO 270004a_100000210263_100011998712 [0,1,1,0,0,0|1,0,0]=3 3481 B13R1.20 Cc1cncc(n1)CN(C)CCO 270004a_100000210263_100000100294 [0,1,1,0,0,0|2,0,0]=4 3482 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 2230a_100000719050_200025704644 [0,1,1,0,0,0|2,0,0]=4 3483 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 269982a_100000719050_200025704644 [0,1,1,0,0,0|2,0,0]=4 3484 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 34a_100000719050_200025704644 [0,1,1,0,0,0|2,0,0]=4 3485 B13R1.47 C#CCN(C)C(C)c1cccnc1 2230a_100000232774_100000038162 [0,1,1,0,0,0|0,0,2]=4 3486 B13R1.47 C=CCN(C)C(C)c1cccnc1 2230a_100000232774_100000210623 [0,1,1,0,0,0|0,0,2]=4 3487 B13R1.47 C=CCN(C)C(C)c1cccnc1 269982a_100000232774_100000210623 [0,1,1,0,0,0|0,0,2]=4 3488 B13R1.47 CC(c1ccccc1)N(C)CCF 2230a_100000195388_100011217306 [0,1,1,0,0,0|2,0,0]=4 3489 B13R1.47 CC(c1ccccc1)N(C)CCF 269982a_100000195388_100011217306 [0,1,1,0,0,0|2,0,0]=4 3490 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000195388_100000211926 [0,1,1,0,0,0|2,0,0]=4 3491 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000210263_100000230085 [0,1,1,0,0,0|2,0,0]=4 3492 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000195388_100000211926 [0,1,1,0,0,0|2,0,0]=4 3493 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000210263_100000230085 [0,1,1,0,0,0|2,0,0]=4 3494 B13R1.47 CC(c1cccnc1)N(C)CC#N 2230a_100000232774_100011215382 [0,1,1,0,0,0|1,0,1]=4 3495 B13R1.47 CC(c1cccnc1)N(C)CC#N 269982a_100000232774_100011214920 [0,1,1,0,0,0|1,0,1]=4 3496 B13R1.47 CC(c1cccnc1)N(C)CC=O 2230a_100000232774_200015260668 [0,1,1,0,0,0|1,0,1]=4 3497 B13R1.47 CC(c1cccnc1)N(C)CC=O 269982a_100000232774_200015260668 [0,1,1,0,0,0|1,0,1]=4 3498 B13R1.47 CC(c1cccnc1)N(C)CCF 2230a_100000232774_100011217306 [0,1,1,0,0,0|1,0,0]=3 3499 B13R1.47 CC(c1cccnc1)N(C)CCF 269982a_100000232774_100011217306 [0,1,1,0,0,0|1,0,0]=3 3500 B13R1.47 CC(c1cccnc1)N(C)CCO 2230a_100000232774_100000211926 [0,1,1,0,0,0|1,0,0]=3 3501 B13R1.47 CC(c1cccnc1)N(C)CCO 269982a_100000232774_100000211926 [0,1,1,0,0,0|1,0,0]=3 3502 B13R1.47 CC(c1cnccn1)N(C)CCO 2230a_100000210263_200000703233 [0,1,1,0,0,0|2,0,0]=4 3503 B13R1.47 CC(c1cnccn1)N(C)CCO 269982a_100000210263_200000703233 [0,1,1,0,0,0|2,0,0]=4 3504 B13R1.47 CCCN(C)C(=O)c1ccccc1 11a_100000747261_100000185807 [0,1,1,0,0,0|1,0,1]=4 3505 B13R1.47 CCCN(C)C(=O)c1ccccc1 1626a_100000747261_100000185807 [0,1,1,0,0,0|1,0,1]=4 3506 B13R1.47 CCCN(C)C(=O)c1ccccc1 240690a_100000747261_100000185807 [0,1,1,0,0,0|1,0,1]=4 3507 B13R1.47 CCCN(C)C(=O)c1ccccc1 527a_100000747261_100000185807 [0,1,1,0,0,0|1,0,1]=4 3508 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,1,1,0,0,0|1,0,0]=3 3509 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,1,1,0,0,0|1,0,0]=3 3510 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,1,1,0,0,0|1,0,0]=3 3511 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,1,1,0,0,0|1,0,0]=3 3512 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,1,1,0,0,0|1,0,0]=3 3513 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,1,1,0,0,0|1,0,0]=3 3514 B13R1.47 CCCN(C)C(C)c1ccccn1 2230a_100000231138_100000210303 [0,1,1,0,0,0|2,0,0]=4 3515 B13R1.47 CCCN(C)C(C)c1ccccn1 269982a_100000231138_100000210303 [0,1,1,0,0,0|2,0,0]=4 3516 B13R1.47 CCCN(C)C(C)c1cccnc1 2230a_100000232774_100000210303 [0,1,1,0,0,0|0,0,0]=2 3517 B13R1.47 CCCN(C)C(C)c1cccnc1 269982a_100000232774_100000210303 [0,1,1,0,0,0|0,0,0]=2 3518 B13R1.47 CCCN(C)C(C)c1ccncc1 2230a_100000231139_100000210303 [0,1,1,0,0,0|2,0,0]=4 3519 B13R1.47 CCCN(C)C(C)c1ccncc1 269982a_100000231139_100000210303 [0,1,1,0,0,0|2,0,0]=4 3520 B13R1.47 CCCN(C)C(C)c1cnccn1 2230a_100000747261_200000703233 [0,1,1,0,0,0|1,0,0]=3 3521 B13R1.47 CCCN(C)C(C)c1cnccn1 269982a_100000747261_200000703233 [0,1,1,0,0,0|1,0,0]=3 3522 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,1,1,0,0,0|1,0,0]=3 3523 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,1,1,0,0,0|1,0,0]=3 3524 B13R1.47 COCN(C)C(C)c1ccccc1 2230a_100000195388_100000766300 [0,1,1,0,0,0|2,0,0]=4 3525 B13R1.47 COCN(C)C(C)c1ccccc1 269982a_100000195388_100000766300 [0,1,1,0,0,0|2,0,0]=4 3526 B13R1.47 COCN(C)C(C)c1cccnc1 2230a_100000232774_100000766300 [0,1,1,0,0,0|1,0,0]=3 3527 B13R1.47 COCN(C)C(C)c1cccnc1 269982a_100000232774_100000766300 [0,1,1,0,0,0|1,0,0]=3 3528 B13R1.47 CSCN(C)C(C)c1ccccc1 2230a_100000195388_100011218213 [0,1,1,0,0,0|2,0,0]=4 3529 B13R1.47 CSCN(C)C(C)c1ccccc1 269982a_100000195388_100011218213 [0,1,1,0,0,0|2,0,0]=4 3530 B13R1.47 CSCN(C)C(C)c1cccnc1 2230a_100000232774_100011218213 [0,1,1,0,0,0|1,0,0]=3 3531 B13R1.47 CSCN(C)C(C)c1cccnc1 269982a_100000232774_100011218213 [0,1,1,0,0,0|1,0,0]=3 3532 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 2230a_100000753783_200000210301 [0,1,1,0,0,0|2,0,0]=4 3533 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 269982a_100000753783_200000210301 [0,1,1,0,0,0|2,0,0]=4 3534 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 2230a_100000753783_200025704644 [0,1,1,0,0,0|2,0,0]=4 3535 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 269982a_100000753783_200025704644 [0,1,1,0,0,0|2,0,0]=4 3536 B13R1.79 C#CCN(CC)Cc1cccnc1 2230a_100000186920_100000038162 [0,1,1,0,0,0|0,0,2]=4 3537 B13R1.79 C#CCN(CC)Cc1cccnc1 2230a_100000744766_100000741622 [0,1,1,0,0,0|0,0,2]=4 3538 B13R1.79 C#CCN(CC)Cc1cccnc1 269982a_100000744766_100000733263 [0,1,1,0,0,0|0,0,2]=4 3539 B13R1.79 C#CCN(CC)Cc1cccnc1 270004a_100000744766_100000209961 [0,1,1,0,0,0|0,0,2]=4 3540 B13R1.79 C=CCN(CC)Cc1cccnc1 2230a_100000186920_100000210623 [0,1,1,0,0,0|0,0,2]=4 3541 B13R1.79 C=CCN(CC)Cc1cccnc1 2230a_100000201331_100000210202 [0,1,1,0,0,0|0,0,2]=4 3542 B13R1.79 C=CCN(CC)Cc1cccnc1 269982a_100000186920_100000210623 [0,1,1,0,0,0|0,0,2]=4 3543 B13R1.79 C=CCN(CC)Cc1cccnc1 269982a_100000201331_100000204670 [0,1,1,0,0,0|0,0,2]=4 3544 B13R1.79 C=CCN(CF)Cc1cccnc1 269982a_100000201331_100015361967 [0,1,1,0,0,0|0,0,2]=4 3545 B13R1.79 CCCC(CC)Oc1cccnc1 7a_100000210849_100011219200 [0,1,1,0,0,0|2,0,0]=4 3546 B13R1.79 CCCC(CC)Sc1cccnc1 62a_100000210063_100011219200 [0,1,1,0,0,0|2,0,0]=4 3547 B13R1.79 CCCC(CC)Sc1cccnc1 62a_100011219200_100000210063 [0,1,1,0,0,0|2,0,0]=4 3548 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000184400_100000210202 [0,1,1,0,0,0|1,0,0]=3 3549 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000186914_100000210303 [0,1,1,0,0,0|1,0,0]=3 3550 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000226822_100015291786 [0,1,1,0,0,0|1,0,0]=3 3551 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000184400_100000204670 [0,1,1,0,0,0|1,0,0]=3 3552 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000186914_100000210303 [0,1,1,0,0,0|1,0,0]=3 3553 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000226822_100000211182 [0,1,1,0,0,0|1,0,0]=3 3554 B13R1.79 CCCN(CC)Cc1ccccc1 270004a_100000226822_100015611070 [0,1,1,0,0,0|1,0,0]=3 3555 B13R1.79 CCCN(CC)Cc1ccccn1 2230a_100000201164_100000210303 [0,1,1,0,0,0|2,0,0]=4 3556 B13R1.79 CCCN(CC)Cc1ccccn1 2230a_100000226822_100000721315 [0,1,1,0,0,0|2,0,0]=4 3557 B13R1.79 CCCN(CC)Cc1ccccn1 2230a_100160999930_100000210202 [0,1,1,0,0,0|2,0,0]=4 3558 B13R1.79 CCCN(CC)Cc1ccccn1 269982a_100000201164_100000210303 [0,1,1,0,0,0|2,0,0]=4 3559 B13R1.79 CCCN(CC)Cc1ccccn1 269982a_100000226822_100000721315 [0,1,1,0,0,0|2,0,0]=4 3560 B13R1.79 CCCN(CC)Cc1ccccn1 269982a_100160999930_100000204670 [0,1,1,0,0,0|2,0,0]=4 3561 B13R1.79 CCCN(CC)Cc1ccccn1 270004a_100000226822_100000209966 [0,1,1,0,0,0|2,0,0]=4 3562 B13R1.79 CCCN(CC)Cc1cccnc1 2230a_100000186920_100000210303 [0,1,1,0,0,0|0,0,0]=2 3563 B13R1.79 CCCN(CC)Cc1cccnc1 2230a_100000226822_100000741622 [0,1,1,0,0,0|0,0,0]=2 3564 B13R1.79 CCCN(CC)Cc1cccnc1 2230a_100160553015_100000210202 [0,1,1,0,0,0|0,0,0]=2 3565 B13R1.79 CCCN(CC)Cc1cccnc1 269982a_100000186920_100000210303 [0,1,1,0,0,0|0,0,0]=2 3566 B13R1.79 CCCN(CC)Cc1cccnc1 269982a_100000226822_100000733263 [0,1,1,0,0,0|0,0,0]=2 3567 B13R1.79 CCCN(CC)Cc1cccnc1 269982a_100160553015_100000204670 [0,1,1,0,0,0|0,0,0]=2 3568 B13R1.79 CCCN(CC)Cc1cccnc1 270004a_100000226822_100000209961 [0,1,1,0,0,0|0,0,0]=2 3569 B13R1.79 CCCN(CC)Cc1cccnn1 2230a_100000226822_100016990269 [0,1,1,0,0,0|1,0,0]=3 3570 B13R1.79 CCCN(CC)Cc1ccncc1 2230a_100000186919_100000210303 [0,1,1,0,0,0|2,0,0]=4 3571 B13R1.79 CCCN(CC)Cc1ccncc1 2230a_100000226822_100015193705 [0,1,1,0,0,0|2,0,0]=4 3572 B13R1.79 CCCN(CC)Cc1ccncc1 269982a_100000186919_100000210303 [0,1,1,0,0,0|2,0,0]=4 3573 B13R1.79 CCCN(CC)Cc1ccncc1 269982a_100000226822_100015193705 [0,1,1,0,0,0|2,0,0]=4 3574 B13R1.79 CCCN(CC)Cc1ccncc1 269982a_100160551226_100000204670 [0,1,1,0,0,0|2,0,0]=4 3575 B13R1.79 CCCN(CC)Cc1ccnnc1 270004a_100000226822_100011934578 [0,1,1,0,0,0|1,0,0]=3 3576 B13R1.79 CCCN(CC)Cc1cnccn1 2230a_100000226822_100016995436 [0,1,1,0,0,0|1,0,0]=3 3577 B13R1.79 CCCN(CC)Cc1cnccn1 269982a_100000226822_100016995436 [0,1,1,0,0,0|1,0,0]=3 3578 B13R1.79 CCCN(CC)Cc1cnccn1 270004a_100000226822_100000749867 [0,1,1,0,0,0|1,0,0]=3 3579 B13R1.79 CCCN(CC)Cc1cncnc1 2230a_100000226822_100015196519 [0,1,1,0,0,0|1,0,0]=3 3580 B13R1.79 CCCN(CC)Cc1cncnc1 269982a_100000226822_100016991940 [0,1,1,0,0,0|1,0,0]=3 3581 B13R1.79 CCCN(CC)Cc1cncnc1 270004a_100000226822_100000749868 [0,1,1,0,0,0|1,0,0]=3 3582 B13R1.79 CCCN(CF)Cc1ccccc1 269982a_100000184400_100015361967 [0,1,1,0,0,0|1,0,0]=3 3583 B13R1.79 CCCN(CF)Cc1ccccn1 269982a_100160999930_100015361967 [0,1,1,0,0,0|2,0,0]=4 3584 B13R1.79 CCCN(CF)Cc1cccnc1 269982a_100160553015_100015361967 [0,1,1,0,0,0|0,0,0]=2 3585 B13R1.79 CCCN(CF)Cc1ccncc1 269982a_100160551226_100015361967 [0,1,1,0,0,0|2,0,0]=4 3586 B13R1.79 CCN(CC#N)Cc1cccnc1 2230a_100000186920_100011215382 [0,1,1,0,0,0|1,0,1]=4 3587 B13R1.79 CCN(CC#N)Cc1cccnc1 269982a_100000186920_100011214920 [0,1,1,0,0,0|1,0,1]=4 3588 B13R1.79 CCN(CC=O)Cc1cccnc1 2230a_100000186920_200015260668 [0,1,1,0,0,0|1,0,1]=4 3589 B13R1.79 CCN(CC=O)Cc1cccnc1 269982a_100000186920_200015260668 [0,1,1,0,0,0|1,0,1]=4 3590 B13R1.79 CCN(CCF)Cc1ccccc1 2230a_100000186914_100011217306 [0,1,1,0,0,0|2,0,0]=4 3591 B13R1.79 CCN(CCF)Cc1ccccc1 269982a_100000186914_100011217306 [0,1,1,0,0,0|2,0,0]=4 3592 B13R1.79 CCN(CCF)Cc1cccnc1 2230a_100000186920_100011217306 [0,1,1,0,0,0|1,0,0]=3 3593 B13R1.79 CCN(CCF)Cc1cccnc1 269982a_100000186920_100011217306 [0,1,1,0,0,0|1,0,0]=3 3594 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000180844_100000210202 [0,1,1,0,0,0|2,0,0]=4 3595 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000186914_100000211926 [0,1,1,0,0,0|2,0,0]=4 3596 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000210973_100015291786 [0,1,1,0,0,0|2,0,0]=4 3597 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000180844_100000204670 [0,1,1,0,0,0|2,0,0]=4 3598 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000186914_100000211926 [0,1,1,0,0,0|2,0,0]=4 3599 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000210973_100000211182 [0,1,1,0,0,0|2,0,0]=4 3600 B13R1.79 CCN(CCO)Cc1ccccc1 270004a_100000210973_100015611070 [0,1,1,0,0,0|2,0,0]=4 3601 B13R1.79 CCN(CCO)Cc1cccnc1 2230a_100000186920_100000211926 [0,1,1,0,0,0|1,0,0]=3 3602 B13R1.79 CCN(CCO)Cc1cccnc1 2230a_100000210973_100000741622 [0,1,1,0,0,0|1,0,0]=3 3603 B13R1.79 CCN(CCO)Cc1cccnc1 2230a_200000200437_100000210202 [0,1,1,0,0,0|1,0,0]=3 3604 B13R1.79 CCN(CCO)Cc1cccnc1 269982a_100000186920_100000211926 [0,1,1,0,0,0|1,0,0]=3 3605 B13R1.79 CCN(CCO)Cc1cccnc1 269982a_100000210973_100000733263 [0,1,1,0,0,0|1,0,0]=3 3606 B13R1.79 CCN(CCO)Cc1cccnc1 269982a_200000200437_100000204670 [0,1,1,0,0,0|1,0,0]=3 3607 B13R1.79 CCN(CCO)Cc1cccnc1 270004a_100000210973_100000209961 [0,1,1,0,0,0|1,0,0]=3 3608 B13R1.79 CCN(CCO)Cc1cccnn1 2230a_100000210973_100016990269 [0,1,1,0,0,0|2,0,0]=4 3609 B13R1.79 CCN(CCO)Cc1ccnnc1 270004a_100000210973_100011934578 [0,1,1,0,0,0|2,0,0]=4 3610 B13R1.79 CCN(CCO)Cc1cnccn1 2230a_100000210973_100016995436 [0,1,1,0,0,0|2,0,0]=4 3611 B13R1.79 CCN(CCO)Cc1cnccn1 269982a_100000210973_100016995436 [0,1,1,0,0,0|2,0,0]=4 3612 B13R1.79 CCN(CCO)Cc1cnccn1 270004a_100000210973_100000749867 [0,1,1,0,0,0|2,0,0]=4 3613 B13R1.79 CCN(CCO)Cc1cncnc1 2230a_100000210973_100015196519 [0,1,1,0,0,0|2,0,0]=4 3614 B13R1.79 CCN(CCO)Cc1cncnc1 269982a_100000210973_100016991940 [0,1,1,0,0,0|2,0,0]=4 3615 B13R1.79 CCN(CCO)Cc1cncnc1 270004a_100000210973_100000749868 [0,1,1,0,0,0|2,0,0]=4 3616 B13R1.79 CCN(COC)Cc1ccccc1 2230a_100000186914_100000766300 [0,1,1,0,0,0|2,0,0]=4 3617 B13R1.79 CCN(COC)Cc1ccccc1 269982a_100000186914_100000766300 [0,1,1,0,0,0|2,0,0]=4 3618 B13R1.79 CCN(COC)Cc1cccnc1 2230a_100000186920_100000766300 [0,1,1,0,0,0|1,0,0]=3 3619 B13R1.79 CCN(COC)Cc1cccnc1 269982a_100000186920_100000766300 [0,1,1,0,0,0|1,0,0]=3 3620 B13R1.79 CCN(CSC)Cc1ccccc1 2230a_100000186914_100011218213 [0,1,1,0,0,0|2,0,0]=4 3621 B13R1.79 CCN(CSC)Cc1ccccc1 269982a_100000186914_100011218213 [0,1,1,0,0,0|2,0,0]=4 3622 B13R1.79 CCN(CSC)Cc1cccnc1 2230a_100000186920_100011218213 [0,1,1,0,0,0|1,0,0]=3 3623 B13R1.79 CCN(CSC)Cc1cccnc1 269982a_100000186920_100011218213 [0,1,1,0,0,0|1,0,0]=3 3624 B13R1.79 CCNC(CO)Cc1cccnc1 2230a_100000717814_100000210202 [0,1,1,0,0,0|2,0,0]=4 3625 B13R1.79 OCCN(CF)Cc1ccccc1 269982a_100000180844_100015361967 [0,1,1,0,0,0|2,0,0]=4 3626 B13R1.79 OCCN(CF)Cc1cccnc1 269982a_200000200437_100015361967 [0,1,1,0,0,0|1,0,0]=3 3627 B13R1.135 C=CC(C)N(C)Cc1cccnc1 269982a_100000184577_100011215867 [0,1,1,0,0,0|0,0,2]=4 3628 B13R1.135 CC(C#N)N(C)Cc1cccnc1 2230a_100000184577_100000184139 [0,1,1,0,0,0|1,0,1]=4 3629 B13R1.135 CC(C#N)N(C)Cc1cccnc1 269982a_100000184577_100000703298 [0,1,1,0,0,0|1,0,1]=4 3630 B13R1.135 CC(C#N)N(C)Cc1cccnc1 270004a_100000745055_100000209961 [0,1,1,0,0,0|1,0,1]=4 3631 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000186898_100012180447 [0,1,1,0,0,0|2,0,0]=4 3632 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000693034_100015291786 [0,1,1,0,0,0|2,0,0]=4 3633 B13R1.135 CC(CO)N(C)Cc1ccccc1 269982a_100000693034_100000211182 [0,1,1,0,0,0|2,0,0]=4 3634 B13R1.135 CC(CO)N(C)Cc1ccccc1 270004a_100000693034_100015611070 [0,1,1,0,0,0|2,0,0]=4 3635 B13R1.135 CC(CO)N(C)Cc1cccnc1 2230a_100000184577_100012180447 [0,1,1,0,0,0|1,0,0]=3 3636 B13R1.135 CC(CO)N(C)Cc1cccnc1 2230a_100000693034_100000741622 [0,1,1,0,0,0|1,0,0]=3 3637 B13R1.135 CC(CO)N(C)Cc1cccnc1 269982a_100000693034_100000733263 [0,1,1,0,0,0|1,0,0]=3 3638 B13R1.135 CC(CO)N(C)Cc1cccnc1 270004a_100000693034_100000209961 [0,1,1,0,0,0|1,0,0]=3 3639 B13R1.135 CC(CO)N(C)Cc1cccnn1 2230a_100000693034_100016990269 [0,1,1,0,0,0|2,0,0]=4 3640 B13R1.135 CC(CO)N(C)Cc1ccnnc1 270004a_100000693034_100011934578 [0,1,1,0,0,0|2,0,0]=4 3641 B13R1.135 CC(CO)N(C)Cc1cnccn1 2230a_100000693034_100016995436 [0,1,1,0,0,0|2,0,0]=4 3642 B13R1.135 CC(CO)N(C)Cc1cnccn1 2230a_100011269079_100012180447 [0,1,1,0,0,0|2,0,0]=4 3643 B13R1.135 CC(CO)N(C)Cc1cnccn1 269982a_100000693034_100016995436 [0,1,1,0,0,0|2,0,0]=4 3644 B13R1.135 CC(CO)N(C)Cc1cnccn1 270004a_100000693034_100000749867 [0,1,1,0,0,0|2,0,0]=4 3645 B13R1.135 CC(CO)N(C)Cc1cncnc1 2230a_100000693034_100015196519 [0,1,1,0,0,0|2,0,0]=4 3646 B13R1.135 CC(CO)N(C)Cc1cncnc1 269982a_100000693034_100016991940 [0,1,1,0,0,0|2,0,0]=4 3647 B13R1.135 CC(CO)N(C)Cc1cncnc1 270004a_100000693034_100000749868 [0,1,1,0,0,0|2,0,0]=4 3648 B13R1.135 CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210414 [0,1,1,0,0,0|1,0,1]=4 3649 B13R1.135 CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210414 [0,1,1,0,0,0|1,0,1]=4 3650 B13R1.135 CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210414 [0,1,1,0,0,0|1,0,1]=4 3651 B13R1.135 CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210414 [0,1,1,0,0,0|1,0,1]=4 3652 B13R1.135 CCC(=O)N(C)Cc1cccnc1 11a_100000184577_100000210414 [0,1,1,0,0,0|0,0,1]=3 3653 B13R1.135 CCC(=O)N(C)Cc1cccnc1 240690a_100000184577_100000210414 [0,1,1,0,0,0|0,0,1]=3 3654 B13R1.135 CCC(=O)N(C)Cc1cccnc1 527a_100000184577_100000210414 [0,1,1,0,0,0|0,0,1]=3 3655 B13R1.135 CCC(=O)N(C)Cc1cnccn1 11a_100011269079_100000210414 [0,1,1,0,0,0|1,0,1]=4 3656 B13R1.135 CCC(=O)N(C)Cc1cnccn1 240690a_100011269079_100000210414 [0,1,1,0,0,0|1,0,1]=4 3657 B13R1.135 CCC(=O)N(C)Cc1cnccn1 527a_100011269079_100000210414 [0,1,1,0,0,0|1,0,1]=4 3658 B13R1.135 CCC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000758301 [0,1,1,0,0,0|2,0,0]=4 3659 B13R1.135 CCC(C)C(=O)Cc1cccnc1 1458a_100011192722_100000733263 [0,1,1,0,0,0|2,0,0]=4 3660 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,1,1,0,0,0|1,0,0]=3 3661 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,1,1,0,0,0|1,0,0]=3 3662 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,1,1,0,0,0|1,0,0]=3 3663 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,1,1,0,0,0|1,0,0]=3 3664 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,1,1,0,0,0|1,0,0]=3 3665 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,1,1,0,0,0|1,0,0]=3 3666 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,1,1,0,0,0|1,0,0]=3 3667 B13R1.135 CCC(C)N(C)Cc1ccccn1 2230a_100000207498_100000758301 [0,1,1,0,0,0|2,0,0]=4 3668 B13R1.135 CCC(C)N(C)Cc1ccccn1 2230a_100000741768_100000721315 [0,1,1,0,0,0|2,0,0]=4 3669 B13R1.135 CCC(C)N(C)Cc1ccccn1 2230a_200000199859_200000210301 [0,1,1,0,0,0|2,0,0]=4 3670 B13R1.135 CCC(C)N(C)Cc1ccccn1 269982a_100000207498_100000758301 [0,1,1,0,0,0|2,0,0]=4 3671 B13R1.135 CCC(C)N(C)Cc1ccccn1 269982a_100000741768_100000721315 [0,1,1,0,0,0|2,0,0]=4 3672 B13R1.135 CCC(C)N(C)Cc1ccccn1 269982a_200000199859_200000210301 [0,1,1,0,0,0|2,0,0]=4 3673 B13R1.135 CCC(C)N(C)Cc1ccccn1 270004a_100000741768_100000209966 [0,1,1,0,0,0|2,0,0]=4 3674 B13R1.135 CCC(C)N(C)Cc1cccnc1 2230a_100000184577_100000758301 [0,1,1,0,0,0|0,0,0]=2 3675 B13R1.135 CCC(C)N(C)Cc1cccnc1 2230a_100000741768_100000741622 [0,1,1,0,0,0|0,0,0]=2 3676 B13R1.135 CCC(C)N(C)Cc1cccnc1 2230a_100015186520_200000210301 [0,1,1,0,0,0|0,0,0]=2 3677 B13R1.135 CCC(C)N(C)Cc1cccnc1 269982a_100000184577_100000758301 [0,1,1,0,0,0|0,0,0]=2 3678 B13R1.135 CCC(C)N(C)Cc1cccnc1 269982a_100000741768_100000733263 [0,1,1,0,0,0|0,0,0]=2 3679 B13R1.135 CCC(C)N(C)Cc1cccnc1 269982a_100015186520_200000210301 [0,1,1,0,0,0|0,0,0]=2 3680 B13R1.135 CCC(C)N(C)Cc1cccnc1 270004a_100000741768_100000209961 [0,1,1,0,0,0|0,0,0]=2 3681 B13R1.135 CCC(C)N(C)Cc1cccnn1 2230a_100000741768_100016990269 [0,1,1,0,0,0|1,0,0]=3 3682 B13R1.135 CCC(C)N(C)Cc1ccncc1 2230a_100000187231_100000758301 [0,1,1,0,0,0|2,0,0]=4 3683 B13R1.135 CCC(C)N(C)Cc1ccncc1 2230a_100000741768_100015193705 [0,1,1,0,0,0|2,0,0]=4 3684 B13R1.135 CCC(C)N(C)Cc1ccncc1 269982a_100000187231_100000758301 [0,1,1,0,0,0|2,0,0]=4 3685 B13R1.135 CCC(C)N(C)Cc1ccncc1 269982a_100000741768_100015193705 [0,1,1,0,0,0|2,0,0]=4 3686 B13R1.135 CCC(C)N(C)Cc1ccncc1 269982a_200015183986_200000210301 [0,1,1,0,0,0|2,0,0]=4 3687 B13R1.135 CCC(C)N(C)Cc1ccnnc1 270004a_100000741768_100011934578 [0,1,1,0,0,0|1,0,0]=3 3688 B13R1.135 CCC(C)N(C)Cc1cnccn1 2230a_100000741768_100016995436 [0,1,1,0,0,0|1,0,0]=3 3689 B13R1.135 CCC(C)N(C)Cc1cnccn1 2230a_100011269079_100000758301 [0,1,1,0,0,0|1,0,0]=3 3690 B13R1.135 CCC(C)N(C)Cc1cnccn1 269982a_100000741768_100016995436 [0,1,1,0,0,0|1,0,0]=3 3691 B13R1.135 CCC(C)N(C)Cc1cnccn1 269982a_100011269079_100000758301 [0,1,1,0,0,0|1,0,0]=3 3692 B13R1.135 CCC(C)N(C)Cc1cnccn1 270004a_100000741768_100000749867 [0,1,1,0,0,0|1,0,0]=3 3693 B13R1.135 CCC(C)N(C)Cc1cncnc1 2230a_100000741768_100015196519 [0,1,1,0,0,0|1,0,0]=3 3694 B13R1.135 CCC(C)N(C)Cc1cncnc1 269982a_100000741768_100016991940 [0,1,1,0,0,0|1,0,0]=3 3695 B13R1.135 CCC(C)N(C)Cc1cncnc1 270004a_100000741768_100000749868 [0,1,1,0,0,0|1,0,0]=3 3696 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,1,1,0,0,0|1,0,0]=3 3697 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,1,1,0,0,0|1,0,0]=3 3698 B13R1.135 CCC(C)N([13CH3])Cc1ccccn1 2230a_200000199859_200025704644 [0,1,1,0,0,0|2,0,0]=4 3699 B13R1.135 CCC(C)N([13CH3])Cc1ccccn1 269982a_200000199859_200025704644 [0,1,1,0,0,0|2,0,0]=4 3700 B13R1.135 CCC(C)N([13CH3])Cc1cccnc1 2230a_100015186520_200025704644 [0,1,1,0,0,0|0,0,0]=2 3701 B13R1.135 CCC(C)N([13CH3])Cc1cccnc1 269982a_100015186520_200025704644 [0,1,1,0,0,0|0,0,0]=2 3702 B13R1.135 CCC(C)N([13CH3])Cc1ccncc1 269982a_200015183986_200025704644 [0,1,1,0,0,0|2,0,0]=4 3703 B13R1.135 CCC(O)C(=O)Cc1cccnc1 1458a_100011196387_100000733263 [0,1,1,0,0,0|2,0,0]=4 3704 B13R1.135 CN(Cc1cccnc1)C(=O)CO 240690a_100000184577_100000210174 [0,1,1,0,0,0|1,0,1]=4 3705 B13R1.135 CN(Cc1cccnc1)C(=O)CO 527a_100000184577_100000210174 [0,1,1,0,0,0|1,0,1]=4 3706 B13R1.135 CNC(=O)N(C)Cc1cccnc1 2708a_100102657272_100000184577 [0,1,1,0,0,0|1,0,1]=4 3707 B13R1.135 CNC(=O)N(C)Cc1cccnc1 273464a_100102657272_100000184577 [0,1,1,0,0,0|1,0,1]=4 3708 B13R1.135 COC(C)N(C)Cc1ccccc1 269982a_100000186898_100009879195 [0,1,1,0,0,0|2,0,0]=4 3709 B13R1.135 COC(C)N(C)Cc1cccnc1 269982a_100000184577_100009879195 [0,1,1,0,0,0|1,0,0]=3 3710 B13R1.135 COC(C)N(C)Cc1cnccn1 269982a_100011269079_100009879195 [0,1,1,0,0,0|2,0,0]=4 3711 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 2230a_100000762708_200000210301 [0,1,1,0,0,0|2,0,0]=4 3712 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000186898_100016084084 [0,1,1,0,0,0|2,0,0]=4 3713 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000762708_200000210301 [0,1,1,0,0,0|2,0,0]=4 3714 B13R1.135 C[C@H](CO)N(C)Cc1cccnc1 269982a_100000184577_100016084084 [0,1,1,0,0,0|1,0,0]=3 3715 B13R1.135 C[C@H](CO)N(C)Cc1cnccn1 269982a_100011269079_100016084084 [0,1,1,0,0,0|2,0,0]=4 3716 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 2230a_100000762708_200025704644 [0,1,1,0,0,0|2,0,0]=4 3717 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 269982a_100000762708_200025704644 [0,1,1,0,0,0|2,0,0]=4 3718 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748629 [0,1,1,0,0,0|1,0,1]=4 3719 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000225649_100015291786 [0,1,1,0,0,0|1,0,1]=4 3720 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100015184565_200000210301 [0,1,1,0,0,0|1,0,1]=4 3721 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748629 [0,1,1,0,0,0|1,0,1]=4 3722 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000225649_100000211182 [0,1,1,0,0,0|1,0,1]=4 3723 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100015184565_200000210301 [0,1,1,0,0,0|1,0,1]=4 3724 B13R1.348 C=C(C)CN(C)Cc1ccccc1 270004a_100000225649_100015611070 [0,1,1,0,0,0|1,0,1]=4 3725 B13R1.348 C=C(C)CN(C)Cc1cccnc1 2230a_100000184577_100000748629 [0,1,1,0,0,0|0,0,1]=3 3726 B13R1.348 C=C(C)CN(C)Cc1cccnc1 2230a_100000225649_100000741622 [0,1,1,0,0,0|0,0,1]=3 3727 B13R1.348 C=C(C)CN(C)Cc1cccnc1 269982a_100000184577_100000748629 [0,1,1,0,0,0|0,0,1]=3 3728 B13R1.348 C=C(C)CN(C)Cc1cccnc1 269982a_100000225649_100000733263 [0,1,1,0,0,0|0,0,1]=3 3729 B13R1.348 C=C(C)CN(C)Cc1cccnc1 270004a_100000225649_100000209961 [0,1,1,0,0,0|0,0,1]=3 3730 B13R1.348 C=C(C)CN(C)Cc1cccnn1 2230a_100000225649_100016990269 [0,1,1,0,0,0|1,0,1]=4 3731 B13R1.348 C=C(C)CN(C)Cc1ccnnc1 270004a_100000225649_100011934578 [0,1,1,0,0,0|1,0,1]=4 3732 B13R1.348 C=C(C)CN(C)Cc1cnccn1 2230a_100000225649_100016995436 [0,1,1,0,0,0|1,0,1]=4 3733 B13R1.348 C=C(C)CN(C)Cc1cnccn1 2230a_100011269079_100000748629 [0,1,1,0,0,0|1,0,1]=4 3734 B13R1.348 C=C(C)CN(C)Cc1cnccn1 269982a_100000225649_100016995436 [0,1,1,0,0,0|1,0,1]=4 3735 B13R1.348 C=C(C)CN(C)Cc1cnccn1 269982a_100011269079_100000748629 [0,1,1,0,0,0|1,0,1]=4 3736 B13R1.348 C=C(C)CN(C)Cc1cnccn1 270004a_100000225649_100000749867 [0,1,1,0,0,0|1,0,1]=4 3737 B13R1.348 C=C(C)CN(C)Cc1cncnc1 2230a_100000225649_100015196519 [0,1,1,0,0,0|1,0,1]=4 3738 B13R1.348 C=C(C)CN(C)Cc1cncnc1 269982a_100000225649_100016991940 [0,1,1,0,0,0|1,0,1]=4 3739 B13R1.348 C=C(C)CN(C)Cc1cncnc1 270004a_100000225649_100000749868 [0,1,1,0,0,0|1,0,1]=4 3740 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 2230a_100015184565_200025704644 [0,1,1,0,0,0|1,0,1]=4 3741 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 269982a_100015184565_200025704644 [0,1,1,0,0,0|1,0,1]=4 3742 B13R1.348 C=C(F)CN(C)Cc1cccnc1 2230a_100000184577_100009893438 [0,1,1,0,0,0|0,0,2]=4 3743 B13R1.348 C=C(F)CN(C)Cc1cccnc1 269982a_100000184577_100009893438 [0,1,1,0,0,0|0,0,2]=4 3744 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,1,1,0,0,0|1,0,1]=4 3745 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000210554_100000733263 [0,1,1,0,0,0|2,0,0]=4 3746 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000210624 [0,1,1,0,0,0|2,0,0]=4 3747 B13R1.348 CC(C)CC(C)Oc1cccnc1 34a_100000210849_100000731052 [0,1,1,0,0,0|2,0,0]=4 3748 B13R1.348 CC(C)CC(C)Oc1cccnc1 7a_100000210849_100000731052 [0,1,1,0,0,0|2,0,0]=4 3749 B13R1.348 CC(C)CC(C)Sc1cccnc1 62a_100000210063_100000731052 [0,1,1,0,0,0|2,0,0]=4 3750 B13R1.348 CC(C)CC(C)Sc1cccnc1 62a_100000731052_100000210063 [0,1,1,0,0,0|2,0,0]=4 3751 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000210760 [0,1,1,0,0,0|1,0,0]=3 3752 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000189081_200000210301 [0,1,1,0,0,0|1,0,0]=3 3753 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000747067_100015291786 [0,1,1,0,0,0|1,0,0]=3 3754 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000210624 [0,1,1,0,0,0|1,0,0]=3 3755 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000189081_200000210301 [0,1,1,0,0,0|1,0,0]=3 3756 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000747067_100000211182 [0,1,1,0,0,0|1,0,0]=3 3757 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000210432 [0,1,1,0,0,0|1,0,0]=3 3758 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000747067_100015611070 [0,1,1,0,0,0|1,0,0]=3 3759 B13R1.348 CC(C)CN(C)Cc1ccccc1 34a_100000189081_200000210301 [0,1,1,0,0,0|1,0,0]=3 3760 B13R1.348 CC(C)CN(C)Cc1ccccn1 2230a_100000200742_200000210301 [0,1,1,0,0,0|2,0,0]=4 3761 B13R1.348 CC(C)CN(C)Cc1ccccn1 2230a_100000207498_100000210760 [0,1,1,0,0,0|2,0,0]=4 3762 B13R1.348 CC(C)CN(C)Cc1ccccn1 2230a_100000747067_100000721315 [0,1,1,0,0,0|2,0,0]=4 3763 B13R1.348 CC(C)CN(C)Cc1ccccn1 269982a_100000200742_200000210301 [0,1,1,0,0,0|2,0,0]=4 3764 B13R1.348 CC(C)CN(C)Cc1ccccn1 269982a_100000207498_100000210624 [0,1,1,0,0,0|2,0,0]=4 3765 B13R1.348 CC(C)CN(C)Cc1ccccn1 269982a_100000747067_100000721315 [0,1,1,0,0,0|2,0,0]=4 3766 B13R1.348 CC(C)CN(C)Cc1ccccn1 270004a_100000207498_100000210432 [0,1,1,0,0,0|2,0,0]=4 3767 B13R1.348 CC(C)CN(C)Cc1ccccn1 270004a_100000747067_100000209966 [0,1,1,0,0,0|2,0,0]=4 3768 B13R1.348 CC(C)CN(C)Cc1cccnc1 2230a_100000184577_100000210760 [0,1,1,0,0,0|0,0,0]=2 3769 B13R1.348 CC(C)CN(C)Cc1cccnc1 2230a_100000747067_100000741622 [0,1,1,0,0,0|0,0,0]=2 3770 B13R1.348 CC(C)CN(C)Cc1cccnc1 2230a_106629246523_200000210301 [0,1,1,0,0,0|0,0,0]=2 3771 B13R1.348 CC(C)CN(C)Cc1cccnc1 269982a_100000184577_100000210624 [0,1,1,0,0,0|0,0,0]=2 3772 B13R1.348 CC(C)CN(C)Cc1cccnc1 269982a_100000747067_100000733263 [0,1,1,0,0,0|0,0,0]=2 3773 B13R1.348 CC(C)CN(C)Cc1cccnc1 269982a_106629246523_200000210301 [0,1,1,0,0,0|0,0,0]=2 3774 B13R1.348 CC(C)CN(C)Cc1cccnc1 270004a_100000184577_100000210432 [0,1,1,0,0,0|0,0,0]=2 3775 B13R1.348 CC(C)CN(C)Cc1cccnc1 270004a_100000747067_100000209961 [0,1,1,0,0,0|0,0,0]=2 3776 B13R1.348 CC(C)CN(C)Cc1cccnn1 2230a_100000747067_100016990269 [0,1,1,0,0,0|1,0,0]=3 3777 B13R1.348 CC(C)CN(C)Cc1ccncc1 2230a_100000187231_100000210760 [0,1,1,0,0,0|2,0,0]=4 3778 B13R1.348 CC(C)CN(C)Cc1ccncc1 2230a_100000747067_100015193705 [0,1,1,0,0,0|2,0,0]=4 3779 B13R1.348 CC(C)CN(C)Cc1ccncc1 269982a_100000187231_100000210624 [0,1,1,0,0,0|2,0,0]=4 3780 B13R1.348 CC(C)CN(C)Cc1ccncc1 269982a_100000747067_100015193705 [0,1,1,0,0,0|2,0,0]=4 3781 B13R1.348 CC(C)CN(C)Cc1ccncc1 269982a_100015183974_200000210301 [0,1,1,0,0,0|2,0,0]=4 3782 B13R1.348 CC(C)CN(C)Cc1ccncc1 270004a_100000187231_100000210432 [0,1,1,0,0,0|2,0,0]=4 3783 B13R1.348 CC(C)CN(C)Cc1ccnnc1 270004a_100000747067_100011934578 [0,1,1,0,0,0|1,0,0]=3 3784 B13R1.348 CC(C)CN(C)Cc1cnccn1 2230a_100000747067_100016995436 [0,1,1,0,0,0|1,0,0]=3 3785 B13R1.348 CC(C)CN(C)Cc1cnccn1 2230a_100011269079_100000210760 [0,1,1,0,0,0|1,0,0]=3 3786 B13R1.348 CC(C)CN(C)Cc1cnccn1 269982a_100000747067_100016995436 [0,1,1,0,0,0|1,0,0]=3 3787 B13R1.348 CC(C)CN(C)Cc1cnccn1 269982a_100011269079_100000210624 [0,1,1,0,0,0|1,0,0]=3 3788 B13R1.348 CC(C)CN(C)Cc1cnccn1 270004a_100000747067_100000749867 [0,1,1,0,0,0|1,0,0]=3 3789 B13R1.348 CC(C)CN(C)Cc1cnccn1 270004a_100011269079_100000210432 [0,1,1,0,0,0|1,0,0]=3 3790 B13R1.348 CC(C)CN(C)Cc1cncnc1 2230a_100000747067_100015196519 [0,1,1,0,0,0|1,0,0]=3 3791 B13R1.348 CC(C)CN(C)Cc1cncnc1 269982a_100000747067_100016991940 [0,1,1,0,0,0|1,0,0]=3 3792 B13R1.348 CC(C)CN(C)Cc1cncnc1 270004a_100000747067_100000749868 [0,1,1,0,0,0|1,0,0]=3 3793 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 2230a_100000189081_200025704644 [0,1,1,0,0,0|1,0,0]=3 3794 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 269982a_100000189081_200025704644 [0,1,1,0,0,0|1,0,0]=3 3795 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 34a_100000189081_200025704644 [0,1,1,0,0,0|1,0,0]=3 3796 B13R1.348 CC(C)CN([13CH3])Cc1ccccn1 2230a_100000200742_200025704644 [0,1,1,0,0,0|2,0,0]=4 3797 B13R1.348 CC(C)CN([13CH3])Cc1ccccn1 269982a_100000200742_200025704644 [0,1,1,0,0,0|2,0,0]=4 3798 B13R1.348 CC(C)CN([13CH3])Cc1cccnc1 2230a_106629246523_200025704644 [0,1,1,0,0,0|0,0,0]=2 3799 B13R1.348 CC(C)CN([13CH3])Cc1cccnc1 269982a_106629246523_200025704644 [0,1,1,0,0,0|0,0,0]=2 3800 B13R1.348 CC(C)CN([13CH3])Cc1ccncc1 269982a_100015183974_200025704644 [0,1,1,0,0,0|2,0,0]=4 3801 B13R1.348 CC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000210206 [0,1,1,0,0,0|2,0,0]=4 3802 B13R1.348 CC(O)CC(=O)Cc1cccnc1 1458a_100000737805_100011218427 [0,1,1,0,0,0|2,0,0]=4 3803 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218427 [0,1,1,0,0,0|1,0,0]=3 3804 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000189065_200000210301 [0,1,1,0,0,0|1,0,0]=3 3805 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000227577_100015291786 [0,1,1,0,0,0|1,0,0]=3 3806 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218427 [0,1,1,0,0,0|1,0,0]=3 3807 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000189065_200000210301 [0,1,1,0,0,0|1,0,0]=3 3808 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000227577_100000211182 [0,1,1,0,0,0|1,0,0]=3 3809 B13R1.348 CC(O)CN(C)Cc1ccccc1 270004a_100000227577_100015611070 [0,1,1,0,0,0|1,0,0]=3 3810 B13R1.348 CC(O)CN(C)Cc1ccccn1 2230a_100000207498_100011218427 [0,1,1,0,0,0|2,0,0]=4 3811 B13R1.348 CC(O)CN(C)Cc1ccccn1 2230a_100000227577_100000721315 [0,1,1,0,0,0|2,0,0]=4 3812 B13R1.348 CC(O)CN(C)Cc1ccccn1 269982a_100000207498_100011218427 [0,1,1,0,0,0|2,0,0]=4 3813 B13R1.348 CC(O)CN(C)Cc1ccccn1 269982a_100000227577_100000721315 [0,1,1,0,0,0|2,0,0]=4 3814 B13R1.348 CC(O)CN(C)Cc1ccccn1 270004a_100000227577_100000209966 [0,1,1,0,0,0|2,0,0]=4 3815 B13R1.348 CC(O)CN(C)Cc1cccnc1 2230a_100000184577_100011218427 [0,1,1,0,0,0|0,0,0]=2 3816 B13R1.348 CC(O)CN(C)Cc1cccnc1 2230a_100000227577_100000741622 [0,1,1,0,0,0|0,0,0]=2 3817 B13R1.348 CC(O)CN(C)Cc1cccnc1 269982a_100000184577_100011218427 [0,1,1,0,0,0|0,0,0]=2 3818 B13R1.348 CC(O)CN(C)Cc1cccnc1 269982a_100000227577_100000733263 [0,1,1,0,0,0|0,0,0]=2 3819 B13R1.348 CC(O)CN(C)Cc1cccnc1 270004a_100000227577_100000209961 [0,1,1,0,0,0|0,0,0]=2 3820 B13R1.348 CC(O)CN(C)Cc1cccnn1 2230a_100000227577_100016990269 [0,1,1,0,0,0|1,0,0]=3 3821 B13R1.348 CC(O)CN(C)Cc1ccncc1 2230a_100000187231_100011218427 [0,1,1,0,0,0|2,0,0]=4 3822 B13R1.348 CC(O)CN(C)Cc1ccncc1 2230a_100000227577_100015193705 [0,1,1,0,0,0|2,0,0]=4 3823 B13R1.348 CC(O)CN(C)Cc1ccncc1 269982a_100000187231_100011218427 [0,1,1,0,0,0|2,0,0]=4 3824 B13R1.348 CC(O)CN(C)Cc1ccncc1 269982a_100000227577_100015193705 [0,1,1,0,0,0|2,0,0]=4 3825 B13R1.348 CC(O)CN(C)Cc1ccnnc1 270004a_100000227577_100011934578 [0,1,1,0,0,0|1,0,0]=3 3826 B13R1.348 CC(O)CN(C)Cc1cnccn1 2230a_100000227577_100016995436 [0,1,1,0,0,0|1,0,0]=3 3827 B13R1.348 CC(O)CN(C)Cc1cnccn1 2230a_100011269079_100011218427 [0,1,1,0,0,0|1,0,0]=3 3828 B13R1.348 CC(O)CN(C)Cc1cnccn1 269982a_100000227577_100016995436 [0,1,1,0,0,0|1,0,0]=3 3829 B13R1.348 CC(O)CN(C)Cc1cnccn1 269982a_100011269079_100011218427 [0,1,1,0,0,0|1,0,0]=3 3830 B13R1.348 CC(O)CN(C)Cc1cnccn1 270004a_100000227577_100000749867 [0,1,1,0,0,0|1,0,0]=3 3831 B13R1.348 CC(O)CN(C)Cc1cncnc1 2230a_100000227577_100015196519 [0,1,1,0,0,0|1,0,0]=3 3832 B13R1.348 CC(O)CN(C)Cc1cncnc1 269982a_100000227577_100016991940 [0,1,1,0,0,0|1,0,0]=3 3833 B13R1.348 CC(O)CN(C)Cc1cncnc1 270004a_100000227577_100000749868 [0,1,1,0,0,0|1,0,0]=3 3834 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 2230a_100000189065_200025704644 [0,1,1,0,0,0|1,0,0]=3 3835 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 269982a_100000189065_200025704644 [0,1,1,0,0,0|1,0,0]=3 3836 B13R1.348 CN(CC(=O)N)Cc1cccnc1 2230a_100000184577_100000747473 [0,1,1,0,0,0|1,0,1]=4 3837 B13R1.348 CN(CC(=O)N)Cc1cccnc1 2230a_100000739694_100000741622 [0,1,1,0,0,0|1,0,1]=4 3838 B13R1.348 CN(CC(=O)N)Cc1cccnc1 269982a_100000184577_100000187820 [0,1,1,0,0,0|1,0,1]=4 3839 B13R1.348 CN(CC(=O)N)Cc1cccnc1 270004a_100000739694_100000209961 [0,1,1,0,0,0|1,0,1]=4 3840 B13R1.348 CN(CC(=O)O)Cc1cccnc1 269956a_100000746989_100000733263 [0,1,1,0,0,0|1,0,1]=4 3841 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,1,1,0,0,0|1,0,1]=4 3842 B13R1.348 CN(CC(=O)[O-])Cc1cccnc1 269982a_100000184577_100020667443 [0,1,1,0,0,0|1,0,1]=4 3843 B13R1.348 CN(Cc1ccccc1)CC(F)F 2230a_100000186898_100011934356 [0,1,1,0,0,0|2,0,0]=4 3844 B13R1.348 CN(Cc1ccccc1)CC(F)F 269982a_100000186898_100011934356 [0,1,1,0,0,0|2,0,0]=4 3845 B13R1.348 CN(Cc1cccnc1)CC(F)F 2230a_100000184577_100011934356 [0,1,1,0,0,0|1,0,0]=3 3846 B13R1.348 CN(Cc1cccnc1)CC(F)F 269982a_100000184577_100011934356 [0,1,1,0,0,0|1,0,0]=3 3847 B13R1.348 CN(Cc1cccnc1)C[N+](=O)[O-] 269982a_100000184577_100000761209 [0,1,1,0,0,0|2,0,0]=4 3848 B13R1.348 CN(Cc1cnccn1)CC(F)F 2230a_100011269079_100011934356 [0,1,1,0,0,0|2,0,0]=4 3849 B13R1.348 CN(Cc1cnccn1)CC(F)F 269982a_100011269079_100011934356 [0,1,1,0,0,0|2,0,0]=4 3850 B13R1.348 C[C@@H](O)CC(=O)Cc1cccnc1 1458a_100011933948_100000733263 [0,1,1,0,0,0|2,0,0]=4 3851 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2230a_100000186898_100009817552 [0,1,1,0,0,0|1,0,0]=3 3852 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 269982a_100000186898_100009817552 [0,1,1,0,0,0|1,0,0]=3 3853 B13R1.348 C[C@@H](O)CN(C)Cc1ccccn1 2230a_100000207498_100009817552 [0,1,1,0,0,0|2,0,0]=4 3854 B13R1.348 C[C@@H](O)CN(C)Cc1ccccn1 269982a_100000207498_100009817552 [0,1,1,0,0,0|2,0,0]=4 3855 B13R1.348 C[C@@H](O)CN(C)Cc1cccnc1 2230a_100000184577_100009817552 [0,1,1,0,0,0|0,0,0]=2 3856 B13R1.348 C[C@@H](O)CN(C)Cc1cccnc1 269982a_100000184577_100009817552 [0,1,1,0,0,0|0,0,0]=2 3857 B13R1.348 C[C@@H](O)CN(C)Cc1ccncc1 2230a_100000187231_100009817552 [0,1,1,0,0,0|2,0,0]=4 3858 B13R1.348 C[C@@H](O)CN(C)Cc1ccncc1 269982a_100000187231_100009817552 [0,1,1,0,0,0|2,0,0]=4 3859 B13R1.348 C[C@@H](O)CN(C)Cc1cnccn1 2230a_100011269079_100009817552 [0,1,1,0,0,0|1,0,0]=3 3860 B13R1.348 C[C@@H](O)CN(C)Cc1cnccn1 269982a_100011269079_100009817552 [0,1,1,0,0,0|1,0,0]=3 3861 B13R1.470 C#CCN(C)Cc1cccnc1Br 2230a_100000225692_100010140945 [0,1,1,0,0,0|0,0,2]=4 3862 B13R1.470 C#CCN(C)Cc1cccnc1Br 34a_100000225692_100010140945 [0,1,1,0,0,0|0,0,2]=4 3863 B13R1.470 C#CCN(C)Cc1cccnc1C 2230a_100000225692_100000732876 [0,1,1,0,0,0|0,0,2]=4 3864 B13R1.470 C#CCN(C)Cc1cccnc1C 2230a_200011875998_100000038162 [0,1,1,0,0,0|0,0,2]=4 3865 B13R1.470 C#CCN(C)Cc1cccnc1C 270004a_100000225692_100000751968 [0,1,1,0,0,0|0,0,2]=4 3866 B13R1.470 C#CCN(C)Cc1cccnc1C 34a_100000225692_100000732876 [0,1,1,0,0,0|0,0,2]=4 3867 B13R1.470 C#CCN(C)Cc1cccnc1Cl 2230a_100000225692_100000045678 [0,1,1,0,0,0|0,0,2]=4 3868 B13R1.470 C#CCN(C)Cc1cccnc1Cl 2230a_103496529121_100000038162 [0,1,1,0,0,0|0,0,2]=4 3869 B13R1.470 C#CCN(C)Cc1cccnc1Cl 34a_100000225692_100000045678 [0,1,1,0,0,0|0,0,2]=4 3870 B13R1.470 C#CCN(C)Cc1cccnc1F 2230a_100000225692_100000099810 [0,1,1,0,0,0|0,0,2]=4 3871 B13R1.470 C#CCN(C)Cc1cccnc1F 34a_100000225692_100000099810 [0,1,1,0,0,0|0,0,2]=4 3872 B13R1.470 C#CCN(C)Cc1cccnc1O 270004a_100000225692_100011998315 [0,1,1,0,0,0|0,0,2]=4 3873 B13R1.470 C#CCN(C)Cc1cnccc1Br 270004a_100000225692_100009816821 [0,1,1,0,0,0|0,0,2]=4 3874 B13R1.470 C#CCN(C)Cc1cnccc1C 2230a_100000225692_100000690890 [0,1,1,0,0,0|0,0,2]=4 3875 B13R1.470 C#CCN(C)Cc1cnccc1C 270004a_100000225692_100000685662 [0,1,1,0,0,0|0,0,2]=4 3876 B13R1.470 C#CCN(C)Cc1cnccc1C 34a_100000225692_100000690890 [0,1,1,0,0,0|0,0,2]=4 3877 B13R1.470 C#CCN(C)Cc1cnccc1Cl 270004a_100000225692_100000050567 [0,1,1,0,0,0|0,0,2]=4 3878 B13R1.470 C=CCN(C)Cc1cccnc1Br 2230a_100000225617_100010140945 [0,1,1,0,0,0|0,0,2]=4 3879 B13R1.470 C=CCN(C)Cc1cccnc1Br 269982a_100000225617_100010140945 [0,1,1,0,0,0|0,0,2]=4 3880 B13R1.470 C=CCN(C)Cc1cccnc1C 2230a_100000225617_100000732876 [0,1,1,0,0,0|0,0,2]=4 3881 B13R1.470 C=CCN(C)Cc1cccnc1C 2230a_200011875998_100000210623 [0,1,1,0,0,0|0,0,2]=4 3882 B13R1.470 C=CCN(C)Cc1cccnc1C 269982a_100000225617_100000732876 [0,1,1,0,0,0|0,0,2]=4 3883 B13R1.470 C=CCN(C)Cc1cccnc1C 269982a_200011875998_100000210623 [0,1,1,0,0,0|0,0,2]=4 3884 B13R1.470 C=CCN(C)Cc1cccnc1C 270004a_100000225617_100000751968 [0,1,1,0,0,0|0,0,2]=4 3885 B13R1.470 C=CCN(C)Cc1cccnc1Cl 2230a_100000225617_100000045678 [0,1,1,0,0,0|0,0,2]=4 3886 B13R1.470 C=CCN(C)Cc1cccnc1Cl 2230a_103496529121_100000210623 [0,1,1,0,0,0|0,0,2]=4 3887 B13R1.470 C=CCN(C)Cc1cccnc1Cl 269982a_100000225617_100000045678 [0,1,1,0,0,0|0,0,2]=4 3888 B13R1.470 C=CCN(C)Cc1cccnc1Cl 269982a_103496529121_100000210623 [0,1,1,0,0,0|0,0,2]=4 3889 B13R1.470 C=CCN(C)Cc1cccnc1F 2230a_100000225617_100000099810 [0,1,1,0,0,0|0,0,2]=4 3890 B13R1.470 C=CCN(C)Cc1cccnc1F 269982a_100000225617_100000099810 [0,1,1,0,0,0|0,0,2]=4 3891 B13R1.470 C=CCN(C)Cc1cccnc1O 270004a_100000225617_100011998315 [0,1,1,0,0,0|0,0,2]=4 3892 B13R1.470 C=CCN(C)Cc1cnccc1Br 270004a_100000225617_100009816821 [0,1,1,0,0,0|0,0,2]=4 3893 B13R1.470 C=CCN(C)Cc1cnccc1C 2230a_100000225617_100000690890 [0,1,1,0,0,0|0,0,2]=4 3894 B13R1.470 C=CCN(C)Cc1cnccc1C 269982a_100000225617_100000690890 [0,1,1,0,0,0|0,0,2]=4 3895 B13R1.470 C=CCN(C)Cc1cnccc1C 270004a_100000225617_100000685662 [0,1,1,0,0,0|0,0,2]=4 3896 B13R1.470 C=CCN(C)Cc1cnccc1Cl 270004a_100000225617_100000050567 [0,1,1,0,0,0|0,0,2]=4 3897 B13R1.470 CCCC(=O)Cc1cccnc1Br 1458a_100000211992_100010140945 [0,1,1,0,0,0|2,0,0]=4 3898 B13R1.470 CCCC(=O)Cc1cccnc1C 1458a_100000211992_100000732876 [0,1,1,0,0,0|2,0,0]=4 3899 B13R1.470 CCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210303 [0,1,1,0,0,0|2,0,0]=4 3900 B13R1.470 CCCC(=O)Cc1cccnc1Cl 1458a_100000211992_100000045678 [0,1,1,0,0,0|2,0,0]=4 3901 B13R1.470 CCCC(=O)Cc1cccnc1F 1458a_100000211992_100000099810 [0,1,1,0,0,0|2,0,0]=4 3902 B13R1.470 CCCC(=O)Cc1cnccc1C 1458a_100000211992_100000690890 [0,1,1,0,0,0|2,0,0]=4 3903 B13R1.470 CCCC(C)Oc1cccnc1Br 34a_100000744436_100000766640 [0,1,1,0,0,0|2,0,0]=4 3904 B13R1.470 CCCC(C)Oc1cccnc1Br 7a_100000744436_100000766640 [0,1,1,0,0,0|2,0,0]=4 3905 B13R1.470 CCCC(C)Oc1cccnc1C 34a_100000745507_100000766640 [0,1,1,0,0,0|2,0,0]=4 3906 B13R1.470 CCCC(C)Oc1cccnc1C 7a_100000745507_100000766640 [0,1,1,0,0,0|2,0,0]=4 3907 B13R1.470 CCCC(C)Oc1cccnc1Cl 34a_100000757616_100000766640 [0,1,1,0,0,0|2,0,0]=4 3908 B13R1.470 CCCC(C)Oc1cccnc1Cl 7a_100000757616_100000766640 [0,1,1,0,0,0|2,0,0]=4 3909 B13R1.470 CCCC(C)Oc1cccnc1F 34a_100000061740_100000766640 [0,1,1,0,0,0|2,0,0]=4 3910 B13R1.470 CCCC(C)Oc1cccnc1F 7a_100000061740_100000766640 [0,1,1,0,0,0|2,0,0]=4 3911 B13R1.470 CCCC(C)Oc1cccnc1I 34a_100000034122_100000766640 [0,1,1,0,0,0|2,0,0]=4 3912 B13R1.470 CCCC(C)Oc1cccnc1I 7a_100000034122_100000766640 [0,1,1,0,0,0|2,0,0]=4 3913 B13R1.470 CCCC(C)Oc1cccnc1N 34a_100000211975_100000766640 [0,1,1,0,0,0|2,0,0]=4 3914 B13R1.470 CCCC(C)Oc1cccnc1N 7a_100000211975_100000766640 [0,1,1,0,0,0|2,0,0]=4 3915 B13R1.470 CCCC(C)Oc1cnccc1C 34a_100011997053_100000766640 [0,1,1,0,0,0|2,0,0]=4 3916 B13R1.470 CCCC(C)Oc1cnccc1C 7a_100011997053_100000766640 [0,1,1,0,0,0|2,0,0]=4 3917 B13R1.470 CCCC(C)Oc1cnccc1Cl 34a_100011996695_100000766640 [0,1,1,0,0,0|2,0,0]=4 3918 B13R1.470 CCCC(C)Oc1cnccc1I 34a_100000050107_100000766640 [0,1,1,0,0,0|2,0,0]=4 3919 B13R1.470 CCCC(C)Oc1cnccc1N 34a_100000753702_100000766640 [0,1,1,0,0,0|2,0,0]=4 3920 B13R1.470 CCCC(C)Sc1cccnc1Br 62a_100000766640_100010202626 [0,1,1,0,0,0|2,0,0]=4 3921 B13R1.470 CCCC(C)Sc1cccnc1Br 62a_100010202626_100000766640 [0,1,1,0,0,0|2,0,0]=4 3922 B13R1.470 CCCC(C)Sc1cccnc1C 62a_100000751574_100000766640 [0,1,1,0,0,0|2,0,0]=4 3923 B13R1.470 CCCC(C)Sc1cccnc1C 62a_100000766640_100000751574 [0,1,1,0,0,0|2,0,0]=4 3924 B13R1.470 CCCC(C)Sc1cccnc1Cl 62a_100000036424_100000766640 [0,1,1,0,0,0|2,0,0]=4 3925 B13R1.470 CCCC(C)Sc1cccnc1Cl 62a_100000766640_100000036424 [0,1,1,0,0,0|2,0,0]=4 3926 B13R1.470 CCCC(C)Sc1cccnc1F 62a_100000766640_100009816115 [0,1,1,0,0,0|2,0,0]=4 3927 B13R1.470 CCCC(C)Sc1cccnc1F 62a_100009816115_100000766640 [0,1,1,0,0,0|2,0,0]=4 3928 B13R1.470 CCCC(C)Sc1cccnc1N 62a_100000045569_100000766640 [0,1,1,0,0,0|2,0,0]=4 3929 B13R1.470 CCCC(C)Sc1cccnc1N 62a_100000766640_100000045569 [0,1,1,0,0,0|2,0,0]=4 3930 B13R1.470 CCCC(C)Sc1cccnc1O 62a_100000760158_100000766640 [0,1,1,0,0,0|2,0,0]=4 3931 B13R1.470 CCCC(C)Sc1cccnc1O 62a_100000766640_100000760158 [0,1,1,0,0,0|2,0,0]=4 3932 B13R1.470 CCCC(C)Sc1cnccc1Br 62a_100000766640_100010138639 [0,1,1,0,0,0|2,0,0]=4 3933 B13R1.470 CCCC(C)Sc1cnccc1Br 62a_100010138639_100000766640 [0,1,1,0,0,0|2,0,0]=4 3934 B13R1.470 CCCC(C)Sc1cnccc1C 62a_100000761580_100000766640 [0,1,1,0,0,0|2,0,0]=4 3935 B13R1.470 CCCC(C)Sc1cnccc1C 62a_100000766640_100000761580 [0,1,1,0,0,0|2,0,0]=4 3936 B13R1.470 CCCC(C)Sc1cnccc1Cl 62a_100000766640_100009995489 [0,1,1,0,0,0|2,0,0]=4 3937 B13R1.470 CCCC(C)Sc1cnccc1Cl 62a_100009995489_100000766640 [0,1,1,0,0,0|2,0,0]=4 3938 B13R1.470 CCCC(C)Sc1cnccc1F 62a_100000766640_100009820683 [0,1,1,0,0,0|2,0,0]=4 3939 B13R1.470 CCCC(C)Sc1cnccc1F 62a_100009820683_100000766640 [0,1,1,0,0,0|2,0,0]=4 3940 B13R1.470 CCCC(C)Sc1cnccc1N 62a_100000047001_100000766640 [0,1,1,0,0,0|2,0,0]=4 3941 B13R1.470 CCCC(C)Sc1cnccc1N 62a_100000766640_100000047001 [0,1,1,0,0,0|2,0,0]=4 3942 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210303 [0,1,1,0,0,0|1,0,0]=3 3943 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000196483_200000210301 [0,1,1,0,0,0|1,0,0]=3 3944 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000747261_100000184730 [0,1,1,0,0,0|1,0,0]=3 3945 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210303 [0,1,1,0,0,0|1,0,0]=3 3946 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000196483_200000210301 [0,1,1,0,0,0|1,0,0]=3 3947 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000747261_100000184730 [0,1,1,0,0,0|1,0,0]=3 3948 B13R1.470 CCCN(C)Cc1ccccc1Br 26a_100000747261_100000181306 [0,1,1,0,0,0|1,0,0]=3 3949 B13R1.470 CCCN(C)Cc1ccccc1Br 270004a_100000747261_100000211189 [0,1,1,0,0,0|1,0,0]=3 3950 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000184421_100000210303 [0,1,1,0,0,0|1,0,0]=3 3951 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000747261_100000211839 [0,1,1,0,0,0|1,0,0]=3 3952 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100015185261_200000210301 [0,1,1,0,0,0|1,0,0]=3 3953 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000184421_100000210303 [0,1,1,0,0,0|1,0,0]=3 3954 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000747261_100000211839 [0,1,1,0,0,0|1,0,0]=3 3955 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100015185261_200000210301 [0,1,1,0,0,0|1,0,0]=3 3956 B13R1.470 CCCN(C)Cc1ccccc1C 270004a_100000747261_100000211143 [0,1,1,0,0,0|1,0,0]=3 3957 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210303 [0,1,1,0,0,0|1,0,0]=3 3958 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000747261_100000187162 [0,1,1,0,0,0|1,0,0]=3 3959 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100015184737_200000210301 [0,1,1,0,0,0|1,0,0]=3 3960 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210303 [0,1,1,0,0,0|1,0,0]=3 3961 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000747261_100000187162 [0,1,1,0,0,0|1,0,0]=3 3962 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100015184737_200000210301 [0,1,1,0,0,0|1,0,0]=3 3963 B13R1.470 CCCN(C)Cc1ccccc1Cl 26a_100000747261_100000210172 [0,1,1,0,0,0|1,0,0]=3 3964 B13R1.470 CCCN(C)Cc1ccccc1Cl 270004a_100000747261_100000210073 [0,1,1,0,0,0|1,0,0]=3 3965 B13R1.470 CCCN(C)Cc1ccccc1Cl 34a_100015184737_200000210301 [0,1,1,0,0,0|1,0,0]=3 3966 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000742528_100000210303 [0,1,1,0,0,0|1,0,0]=3 3967 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000747261_100000211605 [0,1,1,0,0,0|1,0,0]=3 3968 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100015184649_200000210301 [0,1,1,0,0,0|1,0,0]=3 3969 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000742528_100000210303 [0,1,1,0,0,0|1,0,0]=3 3970 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000747261_100000211605 [0,1,1,0,0,0|1,0,0]=3 3971 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100015184649_200000210301 [0,1,1,0,0,0|1,0,0]=3 3972 B13R1.470 CCCN(C)Cc1ccccc1F 270004a_100000747261_100000210811 [0,1,1,0,0,0|1,0,0]=3 3973 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100000742528_100000210303 [0,1,1,0,0,0|1,0,0]=3 3974 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100015184649_200000210301 [0,1,1,0,0,0|1,0,0]=3 3975 B13R1.470 CCCN(C)Cc1ccccc1I 2230a_100000747261_100011215278 [0,1,1,0,0,0|1,0,0]=3 3976 B13R1.470 CCCN(C)Cc1ccccc1I 269982a_100000747261_100011215278 [0,1,1,0,0,0|1,0,0]=3 3977 B13R1.470 CCCN(C)Cc1ccccc1I 270004a_100000747261_100000010305 [0,1,1,0,0,0|1,0,0]=3 3978 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100000749093_200000210301 [0,1,1,0,0,0|1,0,0]=3 3979 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100015189988_100000210303 [0,1,1,0,0,0|1,0,0]=3 3980 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100000749093_200000210301 [0,1,1,0,0,0|1,0,0]=3 3981 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100015189988_100000210303 [0,1,1,0,0,0|1,0,0]=3 3982 B13R1.470 CCCN(C)Cc1cccnc1Br 2230a_100000747261_100010140945 [0,1,1,0,0,0|0,0,0]=2 3983 B13R1.470 CCCN(C)Cc1cccnc1Br 269982a_100000747261_100010140945 [0,1,1,0,0,0|0,0,0]=2 3984 B13R1.470 CCCN(C)Cc1cccnc1C 2230a_100000747261_100000732876 [0,1,1,0,0,0|0,0,0]=2 3985 B13R1.470 CCCN(C)Cc1cccnc1C 2230a_200011875998_100000210303 [0,1,1,0,0,0|0,0,0]=2 3986 B13R1.470 CCCN(C)Cc1cccnc1C 269982a_100000747261_100000732876 [0,1,1,0,0,0|0,0,0]=2 3987 B13R1.470 CCCN(C)Cc1cccnc1C 269982a_200011875998_100000210303 [0,1,1,0,0,0|0,0,0]=2 3988 B13R1.470 CCCN(C)Cc1cccnc1C 270004a_100000747261_100000751968 [0,1,1,0,0,0|0,0,0]=2 3989 B13R1.470 CCCN(C)Cc1cccnc1Cl 2230a_100000747261_100000045678 [0,1,1,0,0,0|0,0,0]=2 3990 B13R1.470 CCCN(C)Cc1cccnc1Cl 2230a_103496529121_100000210303 [0,1,1,0,0,0|0,0,0]=2 3991 B13R1.470 CCCN(C)Cc1cccnc1Cl 269982a_100000747261_100000045678 [0,1,1,0,0,0|0,0,0]=2 3992 B13R1.470 CCCN(C)Cc1cccnc1Cl 269982a_103496529121_100000210303 [0,1,1,0,0,0|0,0,0]=2 3993 B13R1.470 CCCN(C)Cc1cccnc1F 2230a_100000747261_100000099810 [0,1,1,0,0,0|0,0,0]=2 3994 B13R1.470 CCCN(C)Cc1cccnc1F 269982a_100000747261_100000099810 [0,1,1,0,0,0|0,0,0]=2 3995 B13R1.470 CCCN(C)Cc1cccnc1O 270004a_100000747261_100011998315 [0,1,1,0,0,0|0,0,0]=2 3996 B13R1.470 CCCN(C)Cc1ccncc1Br 270004a_100000747261_100000755692 [0,1,1,0,0,0|2,0,0]=4 3997 B13R1.470 CCCN(C)Cc1ccncc1C 2230a_100000747261_100020672808 [0,1,1,0,0,0|2,0,0]=4 3998 B13R1.470 CCCN(C)Cc1ccncc1C 2230a_100015187836_100000210303 [0,1,1,0,0,0|2,0,0]=4 3999 B13R1.470 CCCN(C)Cc1ccncc1C 269982a_100000747261_100020672808 [0,1,1,0,0,0|2,0,0]=4 4000 B13R1.470 CCCN(C)Cc1ccncc1C 269982a_100015187836_100000210303 [0,1,1,0,0,0|2,0,0]=4 4001 B13R1.470 CCCN(C)Cc1ccncc1Cl 2230a_100000747261_100000763264 [0,1,1,0,0,0|2,0,0]=4 4002 B13R1.470 CCCN(C)Cc1ccncc1Cl 269982a_100000747261_100000763264 [0,1,1,0,0,0|2,0,0]=4 4003 B13R1.470 CCCN(C)Cc1ccncc1Cl 270004a_100000747261_100011934409 [0,1,1,0,0,0|2,0,0]=4 4004 B13R1.470 CCCN(C)Cc1cnccc1Br 270004a_100000747261_100009816821 [0,1,1,0,0,0|0,0,0]=2 4005 B13R1.470 CCCN(C)Cc1cnccc1C 2230a_100000747261_100000690890 [0,1,1,0,0,0|0,0,0]=2 4006 B13R1.470 CCCN(C)Cc1cnccc1C 269982a_100000747261_100000690890 [0,1,1,0,0,0|0,0,0]=2 4007 B13R1.470 CCCN(C)Cc1cnccc1C 270004a_100000747261_100000685662 [0,1,1,0,0,0|0,0,0]=2 4008 B13R1.470 CCCN(C)Cc1cnccc1Cl 270004a_100000747261_100000050567 [0,1,1,0,0,0|0,0,0]=2 4009 B13R1.470 CCCN(C)Cc1ncccc1Br 2230a_100000747261_100025702911 [0,1,1,0,0,0|2,0,0]=4 4010 B13R1.470 CCCN(C)Cc1ncccc1Br 270004a_100000747261_100011934733 [0,1,1,0,0,0|2,0,0]=4 4011 B13R1.470 CCCN(C)Cc1ncccc1C 2230a_100000747261_100000696600 [0,1,1,0,0,0|2,0,0]=4 4012 B13R1.470 CCCN(C)Cc1ncccc1C 269982a_100000747261_100000696600 [0,1,1,0,0,0|2,0,0]=4 4013 B13R1.470 CCCN(C)Cc1ncccc1C 270004a_100000747261_100000698913 [0,1,1,0,0,0|2,0,0]=4 4014 B13R1.470 CCCN(C)Cc1ncccc1Cl 2230a_100000747261_100000099807 [0,1,1,0,0,0|2,0,0]=4 4015 B13R1.470 CCCN(C)Cc1ncccc1Cl 269982a_100000747261_100000099807 [0,1,1,0,0,0|2,0,0]=4 4016 B13R1.470 CCCN(C)Cc1ncccc1Cl 270004a_100000747261_100012001307 [0,1,1,0,0,0|2,0,0]=4 4017 B13R1.470 CCCN(C)Cc1ncccc1F 2230a_100000747261_100000104219 [0,1,1,0,0,0|2,0,0]=4 4018 B13R1.470 CCCN(C)Cc1ncccc1F 269982a_100000747261_100000104219 [0,1,1,0,0,0|2,0,0]=4 4019 B13R1.470 CCCN(C)Cc1ncccc1F 270004a_100000747261_100011934734 [0,1,1,0,0,0|2,0,0]=4 4020 B13R1.470 CCCN(C)Cc1nccnc1C 270004a_100000747261_100000050726 [0,1,1,0,0,0|1,0,0]=3 4021 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 2230a_100000196483_200025704644 [0,1,1,0,0,0|1,0,0]=3 4022 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 269982a_100000196483_200025704644 [0,1,1,0,0,0|1,0,0]=3 4023 B13R1.470 CCCN([13CH3])Cc1ccccc1C 2230a_100015185261_200025704644 [0,1,1,0,0,0|1,0,0]=3 4024 B13R1.470 CCCN([13CH3])Cc1ccccc1C 269982a_100015185261_200025704644 [0,1,1,0,0,0|1,0,0]=3 4025 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 2230a_100015184737_200025704644 [0,1,1,0,0,0|1,0,0]=3 4026 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 269982a_100015184737_200025704644 [0,1,1,0,0,0|1,0,0]=3 4027 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 34a_100015184737_200025704644 [0,1,1,0,0,0|1,0,0]=3 4028 B13R1.470 CCCN([13CH3])Cc1ccccc1F 2230a_100015184649_200025704644 [0,1,1,0,0,0|1,0,0]=3 4029 B13R1.470 CCCN([13CH3])Cc1ccccc1F 269982a_100015184649_200025704644 [0,1,1,0,0,0|1,0,0]=3 4030 B13R1.470 CCCN([13CH3])Cc1ccccc1F 34a_100015184649_200025704644 [0,1,1,0,0,0|1,0,0]=3 4031 B13R1.470 CCCN([13CH3])Cc1ccccc1O 2230a_100000749093_200025704644 [0,1,1,0,0,0|1,0,0]=3 4032 B13R1.470 CCCN([13CH3])Cc1ccccc1O 269982a_100000749093_200025704644 [0,1,1,0,0,0|1,0,0]=3 4033 B13R1.470 CN(CC#N)Cc1cccnc1Br 2230a_100000748184_100010140945 [0,1,1,0,0,0|1,0,1]=4 4034 B13R1.470 CN(CC#N)Cc1cccnc1Cl 2230a_100000748184_100000045678 [0,1,1,0,0,0|1,0,1]=4 4035 B13R1.470 CN(CC#N)Cc1cccnc1Cl 2230a_103496529121_100011215382 [0,1,1,0,0,0|1,0,1]=4 4036 B13R1.470 CN(CC#N)Cc1cccnc1Cl 269982a_103496529121_100011214920 [0,1,1,0,0,0|1,0,1]=4 4037 B13R1.470 CN(CC#N)Cc1cccnc1F 2230a_100000748184_100000099810 [0,1,1,0,0,0|1,0,1]=4 4038 B13R1.470 CN(CC=O)Cc1cccnc1Cl 2230a_103496529121_200015260668 [0,1,1,0,0,0|1,0,1]=4 4039 B13R1.470 CN(CC=O)Cc1cccnc1Cl 269982a_103496529121_200015260668 [0,1,1,0,0,0|1,0,1]=4 4040 B13R1.470 CN(CCF)Cc1ccccc1Br 2230a_100000184654_100011217306 [0,1,1,0,0,0|2,0,0]=4 4041 B13R1.470 CN(CCF)Cc1ccccc1Br 269982a_100000184654_100011217306 [0,1,1,0,0,0|2,0,0]=4 4042 B13R1.470 CN(CCF)Cc1ccccc1Cl 2230a_100000184507_100011217306 [0,1,1,0,0,0|2,0,0]=4 4043 B13R1.470 CN(CCF)Cc1ccccc1Cl 269982a_100000184507_100011217306 [0,1,1,0,0,0|2,0,0]=4 4044 B13R1.470 CN(CCF)Cc1ccccc1F 2230a_100000742528_100011217306 [0,1,1,0,0,0|2,0,0]=4 4045 B13R1.470 CN(CCF)Cc1ccccc1F 269982a_100000742528_100011217306 [0,1,1,0,0,0|2,0,0]=4 4046 B13R1.470 CN(CCF)Cc1ccccc1F 34a_100000742528_100011217306 [0,1,1,0,0,0|2,0,0]=4 4047 B13R1.470 CN(CCF)Cc1ccccc1O 2230a_100015189988_100011217306 [0,1,1,0,0,0|2,0,0]=4 4048 B13R1.470 CN(CCF)Cc1ccccc1O 269982a_100015189988_100011217306 [0,1,1,0,0,0|2,0,0]=4 4049 B13R1.470 CN(CCF)Cc1cccnc1Cl 2230a_103496529121_100011217306 [0,1,1,0,0,0|1,0,0]=3 4050 B13R1.470 CN(CCF)Cc1cccnc1Cl 269982a_103496529121_100011217306 [0,1,1,0,0,0|1,0,0]=3 4051 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_100000184654_100000211926 [0,1,1,0,0,0|2,0,0]=4 4052 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_100000210263_100000184730 [0,1,1,0,0,0|2,0,0]=4 4053 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_106744479749_200000210301 [0,1,1,0,0,0|2,0,0]=4 4054 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_100000184654_100000211926 [0,1,1,0,0,0|2,0,0]=4 4055 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_100000210263_100000184730 [0,1,1,0,0,0|2,0,0]=4 4056 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_106744479749_200000210301 [0,1,1,0,0,0|2,0,0]=4 4057 B13R1.470 CN(CCO)Cc1ccccc1Br 26a_100000210263_100000181306 [0,1,1,0,0,0|2,0,0]=4 4058 B13R1.470 CN(CCO)Cc1ccccc1Br 270004a_100000210263_100000211189 [0,1,1,0,0,0|2,0,0]=4 4059 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000184507_100000211926 [0,1,1,0,0,0|2,0,0]=4 4060 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000210263_100000187162 [0,1,1,0,0,0|2,0,0]=4 4061 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100015187164_200000210301 [0,1,1,0,0,0|2,0,0]=4 4062 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000184507_100000211926 [0,1,1,0,0,0|2,0,0]=4 4063 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000210263_100000187162 [0,1,1,0,0,0|2,0,0]=4 4064 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100015187164_200000210301 [0,1,1,0,0,0|2,0,0]=4 4065 B13R1.470 CN(CCO)Cc1ccccc1Cl 26a_100000210263_100000210172 [0,1,1,0,0,0|2,0,0]=4 4066 B13R1.470 CN(CCO)Cc1ccccc1Cl 270004a_100000210263_100000210073 [0,1,1,0,0,0|2,0,0]=4 4067 B13R1.470 CN(CCO)Cc1ccccc1Cl 34a_100015187164_200000210301 [0,1,1,0,0,0|2,0,0]=4 4068 B13R1.470 CN(CCO)Cc1ccccc1F 2230a_100000210263_100000211605 [0,1,1,0,0,0|2,0,0]=4 4069 B13R1.470 CN(CCO)Cc1ccccc1F 2230a_100000742528_100000211926 [0,1,1,0,0,0|2,0,0]=4 4070 B13R1.470 CN(CCO)Cc1ccccc1F 269982a_100000210263_100000211605 [0,1,1,0,0,0|2,0,0]=4 4071 B13R1.470 CN(CCO)Cc1ccccc1F 269982a_100000742528_100000211926 [0,1,1,0,0,0|2,0,0]=4 4072 B13R1.470 CN(CCO)Cc1ccccc1F 270004a_100000210263_100000210811 [0,1,1,0,0,0|2,0,0]=4 4073 B13R1.470 CN(CCO)Cc1ccccc1F 34a_100000742528_100000211926 [0,1,1,0,0,0|2,0,0]=4 4074 B13R1.470 CN(CCO)Cc1ccccc1I 2230a_100000210263_100011215278 [0,1,1,0,0,0|2,0,0]=4 4075 B13R1.470 CN(CCO)Cc1ccccc1I 269982a_100000210263_100011215278 [0,1,1,0,0,0|2,0,0]=4 4076 B13R1.470 CN(CCO)Cc1ccccc1I 270004a_100000210263_100000010305 [0,1,1,0,0,0|2,0,0]=4 4077 B13R1.470 CN(CCO)Cc1ccccc1O 2230a_100015189988_100000211926 [0,1,1,0,0,0|2,0,0]=4 4078 B13R1.470 CN(CCO)Cc1ccccc1O 269982a_100015189988_100000211926 [0,1,1,0,0,0|2,0,0]=4 4079 B13R1.470 CN(CCO)Cc1cccnc1Br 2230a_100000210263_100010140945 [0,1,1,0,0,0|1,0,0]=3 4080 B13R1.470 CN(CCO)Cc1cccnc1Br 269982a_100000210263_100010140945 [0,1,1,0,0,0|1,0,0]=3 4081 B13R1.470 CN(CCO)Cc1cccnc1Cl 2230a_100000210263_100000045678 [0,1,1,0,0,0|1,0,0]=3 4082 B13R1.470 CN(CCO)Cc1cccnc1Cl 2230a_103496529121_100000211926 [0,1,1,0,0,0|1,0,0]=3 4083 B13R1.470 CN(CCO)Cc1cccnc1Cl 269982a_100000210263_100000045678 [0,1,1,0,0,0|1,0,0]=3 4084 B13R1.470 CN(CCO)Cc1cccnc1Cl 269982a_103496529121_100000211926 [0,1,1,0,0,0|1,0,0]=3 4085 B13R1.470 CN(CCO)Cc1cccnc1F 2230a_100000210263_100000099810 [0,1,1,0,0,0|1,0,0]=3 4086 B13R1.470 CN(CCO)Cc1cccnc1F 269982a_100000210263_100000099810 [0,1,1,0,0,0|1,0,0]=3 4087 B13R1.470 CN(CCO)Cc1cccnc1O 270004a_100000210263_100011998315 [0,1,1,0,0,0|1,0,0]=3 4088 B13R1.470 CN(CCO)Cc1cnccc1Br 270004a_100000210263_100009816821 [0,1,1,0,0,0|1,0,0]=3 4089 B13R1.470 CN(CCO)Cc1cnccc1Cl 270004a_100000210263_100000050567 [0,1,1,0,0,0|1,0,0]=3 4090 B13R1.470 COCN(C)Cc1ccccc1Br 2230a_100000184654_100000766300 [0,1,1,0,0,0|2,0,0]=4 4091 B13R1.470 COCN(C)Cc1ccccc1Br 269982a_100000184654_100000766300 [0,1,1,0,0,0|2,0,0]=4 4092 B13R1.470 COCN(C)Cc1ccccc1C 2230a_100000184421_100000766300 [0,1,1,0,0,0|2,0,0]=4 4093 B13R1.470 COCN(C)Cc1ccccc1C 269982a_100000184421_100000766300 [0,1,1,0,0,0|2,0,0]=4 4094 B13R1.470 COCN(C)Cc1ccccc1Cl 2230a_100000184507_100000766300 [0,1,1,0,0,0|2,0,0]=4 4095 B13R1.470 COCN(C)Cc1ccccc1Cl 269982a_100000184507_100000766300 [0,1,1,0,0,0|2,0,0]=4 4096 B13R1.470 COCN(C)Cc1ccccc1F 2230a_100000742528_100000766300 [0,1,1,0,0,0|2,0,0]=4 4097 B13R1.470 COCN(C)Cc1ccccc1F 269982a_100000742528_100000766300 [0,1,1,0,0,0|2,0,0]=4 4098 B13R1.470 COCN(C)Cc1ccccc1O 2230a_100015189988_100000766300 [0,1,1,0,0,0|2,0,0]=4 4099 B13R1.470 COCN(C)Cc1ccccc1O 269982a_100015189988_100000766300 [0,1,1,0,0,0|2,0,0]=4 4100 B13R1.470 COCN(C)Cc1cccnc1C 2230a_200011875998_100000766300 [0,1,1,0,0,0|1,0,0]=3 4101 B13R1.470 COCN(C)Cc1cccnc1C 269982a_200011875998_100000766300 [0,1,1,0,0,0|1,0,0]=3 4102 B13R1.470 COCN(C)Cc1cccnc1Cl 2230a_103496529121_100000766300 [0,1,1,0,0,0|1,0,0]=3 4103 B13R1.470 COCN(C)Cc1cccnc1Cl 269982a_103496529121_100000766300 [0,1,1,0,0,0|1,0,0]=3 4104 B13R1.470 CSCN(C)Cc1ccccc1Br 2230a_100000184654_100011218213 [0,1,1,0,0,0|2,0,0]=4 4105 B13R1.470 CSCN(C)Cc1ccccc1Br 269982a_100000184654_100011218213 [0,1,1,0,0,0|2,0,0]=4 4106 B13R1.470 CSCN(C)Cc1ccccc1C 2230a_100000184421_100011218213 [0,1,1,0,0,0|2,0,0]=4 4107 B13R1.470 CSCN(C)Cc1ccccc1C 269982a_100000184421_100011218213 [0,1,1,0,0,0|2,0,0]=4 4108 B13R1.470 CSCN(C)Cc1ccccc1Cl 2230a_100000184507_100011218213 [0,1,1,0,0,0|2,0,0]=4 4109 B13R1.470 CSCN(C)Cc1ccccc1Cl 269982a_100000184507_100011218213 [0,1,1,0,0,0|2,0,0]=4 4110 B13R1.470 CSCN(C)Cc1ccccc1F 2230a_100000742528_100011218213 [0,1,1,0,0,0|2,0,0]=4 4111 B13R1.470 CSCN(C)Cc1ccccc1F 269982a_100000742528_100011218213 [0,1,1,0,0,0|2,0,0]=4 4112 B13R1.470 CSCN(C)Cc1ccccc1F 34a_100000742528_100011218213 [0,1,1,0,0,0|2,0,0]=4 4113 B13R1.470 CSCN(C)Cc1ccccc1O 2230a_100015189988_100011218213 [0,1,1,0,0,0|2,0,0]=4 4114 B13R1.470 CSCN(C)Cc1ccccc1O 269982a_100015189988_100011218213 [0,1,1,0,0,0|2,0,0]=4 4115 B13R1.470 CSCN(C)Cc1cccnc1C 2230a_200011875998_100011218213 [0,1,1,0,0,0|1,0,0]=3 4116 B13R1.470 CSCN(C)Cc1cccnc1C 269982a_200011875998_100011218213 [0,1,1,0,0,0|1,0,0]=3 4117 B13R1.470 CSCN(C)Cc1cccnc1Cl 2230a_103496529121_100011218213 [0,1,1,0,0,0|1,0,0]=3 4118 B13R1.470 CSCN(C)Cc1cccnc1Cl 269982a_103496529121_100011218213 [0,1,1,0,0,0|1,0,0]=3 4119 B13R1.470 Cc1ccccc1CN(C)CCF 2230a_100000184421_100011217306 [0,1,1,0,0,0|2,0,0]=4 4120 B13R1.470 Cc1ccccc1CN(C)CCF 269982a_100000184421_100011217306 [0,1,1,0,0,0|2,0,0]=4 4121 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000184421_100000211926 [0,1,1,0,0,0|2,0,0]=4 4122 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000210263_100000211839 [0,1,1,0,0,0|2,0,0]=4 4123 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000184421_100000211926 [0,1,1,0,0,0|2,0,0]=4 4124 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000210263_100000211839 [0,1,1,0,0,0|2,0,0]=4 4125 B13R1.470 Cc1ccccc1CN(C)CCO 270004a_100000210263_100000211143 [0,1,1,0,0,0|2,0,0]=4 4126 B13R1.470 Cc1ccncc1CN(C)CC#N 2230a_100000748184_100000690890 [0,1,1,0,0,0|1,0,1]=4 4127 B13R1.470 Cc1ccncc1CN(C)CCO 2230a_100000210263_100000690890 [0,1,1,0,0,0|1,0,0]=3 4128 B13R1.470 Cc1ccncc1CN(C)CCO 269982a_100000210263_100000690890 [0,1,1,0,0,0|1,0,0]=3 4129 B13R1.470 Cc1ccncc1CN(C)CCO 270004a_100000210263_100000685662 [0,1,1,0,0,0|1,0,0]=3 4130 B13R1.470 Cc1ncccc1CN(C)CC#N 2230a_100000748184_100000732876 [0,1,1,0,0,0|1,0,1]=4 4131 B13R1.470 Cc1ncccc1CN(C)CC#N 2230a_200011875998_100011215382 [0,1,1,0,0,0|1,0,1]=4 4132 B13R1.470 Cc1ncccc1CN(C)CC#N 269982a_200011875998_100011214920 [0,1,1,0,0,0|1,0,1]=4 4133 B13R1.470 Cc1ncccc1CN(C)CC=O 2230a_200011875998_200015260668 [0,1,1,0,0,0|1,0,1]=4 4134 B13R1.470 Cc1ncccc1CN(C)CC=O 269982a_200011875998_200015260668 [0,1,1,0,0,0|1,0,1]=4 4135 B13R1.470 Cc1ncccc1CN(C)CCF 2230a_200011875998_100011217306 [0,1,1,0,0,0|1,0,0]=3 4136 B13R1.470 Cc1ncccc1CN(C)CCF 269982a_200011875998_100011217306 [0,1,1,0,0,0|1,0,0]=3 4137 B13R1.470 Cc1ncccc1CN(C)CCO 2230a_100000210263_100000732876 [0,1,1,0,0,0|1,0,0]=3 4138 B13R1.470 Cc1ncccc1CN(C)CCO 2230a_200011875998_100000211926 [0,1,1,0,0,0|1,0,0]=3 4139 B13R1.470 Cc1ncccc1CN(C)CCO 269982a_100000210263_100000732876 [0,1,1,0,0,0|1,0,0]=3 4140 B13R1.470 Cc1ncccc1CN(C)CCO 269982a_200011875998_100000211926 [0,1,1,0,0,0|1,0,0]=3 4141 B13R1.470 Cc1ncccc1CN(C)CCO 270004a_100000210263_100000751968 [0,1,1,0,0,0|1,0,0]=3 4142 B13R1.470 Cc1nccnc1CN(C)CCO 270004a_100000210263_100000050726 [0,1,1,0,0,0|2,0,0]=4 4143 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Br 2230a_106744479749_200025704644 [0,1,1,0,0,0|2,0,0]=4 4144 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Br 269982a_106744479749_200025704644 [0,1,1,0,0,0|2,0,0]=4 4145 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 2230a_100015187164_200025704644 [0,1,1,0,0,0|2,0,0]=4 4146 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 269982a_100015187164_200025704644 [0,1,1,0,0,0|2,0,0]=4 4147 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 34a_100015187164_200025704644 [0,1,1,0,0,0|2,0,0]=4 4148 B13R1.21 CC(c1ccc(cc1)Br)N(C)CF 269982a_100000231103_100015361967 [0,1,1,0,0,0|2,0,0]=4 4149 B13R1.21 CC(c1ccc(cc1)Cl)N(C)CF 269982a_100000231102_100015361967 [0,1,1,0,0,0|2,0,0]=4 4150 B13R1.21 CC(c1ccc(cc1)F)N(C)CF 269982a_100000222788_100015361967 [0,1,1,0,0,0|2,0,0]=4 4151 B13R1.21 CC(c1ccc(cc1)F)N(C)CF 34a_100000222788_100015361967 [0,1,1,0,0,0|2,0,0]=4 4152 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 2230a_100000225621_100000755118 [0,1,1,0,0,0|1,0,0]=3 4153 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100000210202 [0,1,1,0,0,0|1,0,0]=3 4154 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 269982a_100000225621_100000755118 [0,1,1,0,0,0|1,0,0]=3 4155 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 269982a_100000231103_100000204670 [0,1,1,0,0,0|1,0,0]=3 4156 B13R1.21 CCN(C)C(C)c1ccc(cc1)C 2230a_100000225621_100011261388 [0,1,1,0,0,0|1,0,0]=3 4157 B13R1.21 CCN(C)C(C)c1ccc(cc1)C 269982a_100000225621_100011261388 [0,1,1,0,0,0|1,0,0]=3 4158 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000225621_100000684792 [0,1,1,0,0,0|1,0,0]=3 4159 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100000210202 [0,1,1,0,0,0|1,0,0]=3 4160 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000225621_100000684792 [0,1,1,0,0,0|1,0,0]=3 4161 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000231102_100000204670 [0,1,1,0,0,0|1,0,0]=3 4162 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100000210202 [0,1,1,0,0,0|1,0,0]=3 4163 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000222793_200000210301 [0,1,1,0,0,0|1,0,0]=3 4164 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000225621_100000743420 [0,1,1,0,0,0|1,0,0]=3 4165 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000222788_100000204670 [0,1,1,0,0,0|1,0,0]=3 4166 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000222793_200000210301 [0,1,1,0,0,0|1,0,0]=3 4167 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000225621_100000743420 [0,1,1,0,0,0|1,0,0]=3 4168 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 34a_100000222788_100000210202 [0,1,1,0,0,0|1,0,0]=3 4169 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 34a_100000222793_200000210301 [0,1,1,0,0,0|1,0,0]=3 4170 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 2230a_100000222793_200025704644 [0,1,1,0,0,0|1,0,0]=3 4171 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 269982a_100000222793_200025704644 [0,1,1,0,0,0|1,0,0]=3 4172 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 34a_100000222793_200025704644 [0,1,1,0,0,0|1,0,0]=3 4173 B13R1.22 CC(c1cccc(c1)Br)N(C)CF 269982a_100025717457_100015361967 [0,1,1,0,0,0|2,0,0]=4 4174 B13R1.22 CC(c1cccc(c1)F)N(C)CF 269982a_100000231114_100015361967 [0,1,1,0,0,0|2,0,0]=4 4175 B13R1.22 CC(c1cccc(c1)F)N(C)CF 34a_100000231114_100015361967 [0,1,1,0,0,0|2,0,0]=4 4176 B13R1.22 CCN(C)C(C)c1cccc(c1)Br 2230a_100025717457_100000210202 [0,1,1,0,0,0|1,0,0]=3 4177 B13R1.22 CCN(C)C(C)c1cccc(c1)Br 269982a_100025717457_100000204670 [0,1,1,0,0,0|1,0,0]=3 4178 B13R1.22 CCN(C)C(C)c1cccc(c1)F 2230a_100000231114_100000210202 [0,1,1,0,0,0|1,0,0]=3 4179 B13R1.22 CCN(C)C(C)c1cccc(c1)F 269982a_100000231114_100000204670 [0,1,1,0,0,0|1,0,0]=3 4180 B13R1.22 CCN(C)C(C)c1cccc(c1)F 34a_100000231114_100000210202 [0,1,1,0,0,0|1,0,0]=3 4181 B13R1.86 CCN(CC)C(C)c1ccccc1 2230a_100000724800_100000230085 [0,1,1,0,0,0|1,0,0]=3 4182 B13R1.86 CCN(CC)C(C)c1ccccc1 269956a_100000042499_100000211855 [0,1,1,0,0,0|1,0,0]=3 4183 B13R1.86 CCN(CC)C(C)c1ccccc1 269982a_100000724800_100000230085 [0,1,1,0,0,0|1,0,0]=3 4184 B13R1.86 CCN(CC)C(C)c1cnccn1 2230a_100000724800_200000703233 [0,1,1,0,0,0|1,0,0]=3 4185 B13R1.86 CCN(CC)C(C)c1cnccn1 269956a_100000042499_200000703233 [0,1,1,0,0,0|1,0,0]=3 4186 B13R1.86 CCN(CC)C(C)c1cnccn1 269982a_100000724800_200000703233 [0,1,1,0,0,0|1,0,0]=3 4187 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100015343762 [0,1,1,0,0,0|1,0,1]=4 4188 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100015343762 [0,1,1,0,0,0|1,0,1]=4 4189 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100015343762 [0,1,1,0,0,0|1,0,1]=4 4190 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100103153847 [0,1,1,0,0,0|1,0,1]=4 4191 B13R1.152 CC(=O)N(C)C(C)c1cccnc1 11a_100000232774_100015343762 [0,1,1,0,0,0|0,0,1]=3 4192 B13R1.152 CC(=O)N(C)C(C)c1cccnc1 240690a_100000232774_100015343762 [0,1,1,0,0,0|0,0,1]=3 4193 B13R1.152 CC(=O)N(C)C(C)c1cccnc1 527a_100000232774_100103153847 [0,1,1,0,0,0|0,0,1]=3 4194 B13R1.152 CC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000210206 [0,1,1,0,0,0|1,0,0]=3 4195 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000210206 [0,1,1,0,0,0|1,0,0]=3 4196 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000218734_200000210301 [0,1,1,0,0,0|1,0,0]=3 4197 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_200000211004_100000230085 [0,1,1,0,0,0|1,0,0]=3 4198 B13R1.152 CC(C)N(C)C(C)c1ccccn1 2230a_100000231138_100000210206 [0,1,1,0,0,0|2,0,0]=4 4199 B13R1.152 CC(C)N(C)C(C)c1ccccn1 269982a_100000231138_100000210206 [0,1,1,0,0,0|2,0,0]=4 4200 B13R1.152 CC(C)N(C)C(C)c1cccnc1 2230a_100000232774_100000210206 [0,1,1,0,0,0|0,0,0]=2 4201 B13R1.152 CC(C)N(C)C(C)c1cccnc1 269982a_100000232774_100000210206 [0,1,1,0,0,0|0,0,0]=2 4202 B13R1.152 CC(C)N(C)C(C)c1ccncc1 2230a_100000231139_100000210206 [0,1,1,0,0,0|2,0,0]=4 4203 B13R1.152 CC(C)N(C)C(C)c1ccncc1 269982a_100000231139_100000210206 [0,1,1,0,0,0|2,0,0]=4 4204 B13R1.152 CC(C)N(C)C(C)c1cnccn1 269982a_200000211004_200000703233 [0,1,1,0,0,0|1,0,0]=3 4205 B13R1.152 CC(C)N([13CH3])C(C)c1ccccc1 269982a_100000218734_200025704644 [0,1,1,0,0,0|1,0,0]=3 4206 B13R1.696 CC(c1ccccc1Br)N(C)CF 269982a_100000692418_100015361967 [0,1,1,0,0,0|2,0,0]=4 4207 B13R1.696 CC(c1ccccc1F)N(C)CF 269982a_100000231110_100015361967 [0,1,1,0,0,0|2,0,0]=4 4208 B13R1.696 CC(c1ccccc1F)N(C)CF 34a_100000231110_100015361967 [0,1,1,0,0,0|2,0,0]=4 4209 B13R1.696 CCN(C)C(=O)c1cccnc1O 271570a_203496583355_200011239097 [0,1,1,0,0,0|1,0,1]=4 4210 B13R1.696 CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000210202 [0,1,1,0,0,0|1,0,0]=3 4211 B13R1.696 CCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000204670 [0,1,1,0,0,0|1,0,0]=3 4212 B13R1.696 CCN(C)C(C)c1ccccc1Cl 2230a_100000225621_100000181259 [0,1,1,0,0,0|1,0,0]=3 4213 B13R1.696 CCN(C)C(C)c1ccccc1Cl 269982a_100000225621_100000181259 [0,1,1,0,0,0|1,0,0]=3 4214 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000225621_200000741388 [0,1,1,0,0,0|1,0,0]=3 4215 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000210202 [0,1,1,0,0,0|1,0,0]=3 4216 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000225621_200000741388 [0,1,1,0,0,0|1,0,0]=3 4217 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000231110_100000204670 [0,1,1,0,0,0|1,0,0]=3 4218 B13R1.696 CCN(C)C(C)c1ccccc1F 34a_100000231110_100000210202 [0,1,1,0,0,0|1,0,0]=3 4219 B13R1.708 CCN(C)C(C)(C)c1ccccc1 2230a_100000225621_100000034625 [0,1,1,0,0,0|1,0,0]=3 4220 B13R1.708 CCN(C)C(C)(C)c1ccccc1 269982a_100000225621_100000034625 [0,1,1,0,0,0|1,0,0]=3 4221 B13R1.708 CCN(C)C(F)(F)c1ccccc1 269982a_100000225621_100000036403 [0,1,1,0,0,0|2,0,0]=4 4222 B13R1.708 CCN(C)S(=O)(=O)c1cccnc1 270084a_100000225621_100000736704 [0,1,1,0,0,0|2,0,0]=4 4223 B13R1.708 CCN(C)S(=O)(=O)c1cccnc1 274078a_100000225621_100000736704 [0,1,1,0,0,0|2,0,0]=4 4224 B13R1.706 CCC(c1ccc(cc1)Br)N(C)C 2230a_100000231127_200000210301 [0,1,1,0,0,0|1,0,0]=3 4225 B13R1.706 CCC(c1ccc(cc1)Br)N(C)C 269982a_100000231127_200000210301 [0,1,1,0,0,0|1,0,0]=3 4226 B13R1.706 CCC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231127_200025704644 [0,1,1,0,0,0|1,0,0]=3 4227 B13R1.706 CCC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231127_200025704644 [0,1,1,0,0,0|1,0,0]=3 4228 B13R1.706 CCC(c1ccc(cn1)Br)N(C)C 270004a_100102631434_100012351654 [0,1,1,0,0,0|2,0,0]=4 4229 B13R1.716 CCC(c1cc(ccn1)Cl)N(C)C 270004a_100102631434_200000094848 [0,1,1,0,0,0|2,0,0]=4 4230 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_200000210301 [0,1,1,0,0,0|1,0,1]=4 4231 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 2230a_100102631434_100009888967 [0,1,1,0,0,0|1,0,1]=4 4232 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 269982a_100102631434_100009888967 [0,1,1,0,0,0|1,0,1]=4 4233 B13R1.1111 CC(C)C(c1ccccc1)N(C)C 2230a_100000233099_200000210301 [0,1,1,0,0,0|1,0,0]=3 4234 B13R1.1111 CC(C)C(c1ccccc1)N(C)C 269982a_100000233099_200000210301 [0,1,1,0,0,0|1,0,0]=3 4235 B13R1.1111 CC(C)C(c1ccccc1)N(C)[13CH3] 2230a_100000233099_200025704644 [0,1,1,0,0,0|1,0,0]=3 4236 B13R1.1111 CC(C)C(c1ccccc1)N(C)[13CH3] 269982a_100000233099_200025704644 [0,1,1,0,0,0|1,0,0]=3 4237 B13R1.1111 CN(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000743987_200025704644 [0,1,1,0,0,0|1,0,1]=4 4238 B13R2.10 CN1CCC(C1)c2cccnc2 2230a_200015204282_200000210301 [1,1,0,0,0,0|2,0,0]=4 4239 B13R2.10 CN1CCC(C1)c2cccnc2 269982a_200015204282_200000210301 [1,1,0,0,0,0|2,0,0]=4 4240 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 2230a_200015204282_200025704644 [1,1,0,0,0,0|2,0,0]=4 4241 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 269982a_200015204282_200025704644 [1,1,0,0,0,0|2,0,0]=4 4242 B13R2.12 Brc1ccc(cn1)C2=CCCC2 271570a_100000089523_100009814638 [1,1,0,0,0,0|1,0,1]=4 4243 B13R2.12 Cc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000751577 [1,1,0,0,0,0|1,0,1]=4 4244 B13R2.12 Clc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000034144 [1,1,0,0,0,0|1,0,1]=4 4245 B13R2.12 Fc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000748661 [1,1,0,0,0,0|1,0,1]=4 4246 B13R2.12 Nc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000187370 [1,1,0,0,0,0|1,0,1]=4 4247 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [1,1,0,0,0,0|1,0,0]=3 4248 B13R2.12 Oc1ccc(nc1)C2CCCN2 271570a_203496583355_100000728117 [1,1,0,0,0,0|2,0,0]=4 4249 B13R2.13 Brc1cncc(c1)C2=CCCC2 271570a_100000089523_100000728054 [1,1,0,0,0,0|1,0,1]=4 4250 B13R2.13 Cc1cncc(c1)C2=CCCC2 271570a_100000089523_100000760492 [1,1,0,0,0,0|1,0,1]=4 4251 B13R2.13 Clc1cncc(c1)C2=CCCC2 271570a_100000089523_100000049639 [1,1,0,0,0,0|1,0,1]=4 4252 B13R2.13 Fc1cncc(c1)C2=CCCC2 271570a_100000089523_100000744099 [1,1,0,0,0,0|1,0,1]=4 4253 B13R2.13 Nc1cncc(c1)C2=CCCC2 271570a_100000089523_100000687067 [1,1,0,0,0,0|1,0,1]=4 4254 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [1,1,0,0,0,0|1,0,0]=3 4255 B13R2.13 Oc1cncc(c1)C2=CCCC2 271570a_100000089523_100000754920 [1,1,0,0,0,0|1,0,1]=4 4256 B13R2.13 Oc1cncc(c1)C2CCCN2 271570a_203496583355_100012340264 [1,1,0,0,0,0|0,0,0]=2 4257 B13R2.13 Oc1cncc(c1)C2OCCO2 271570a_203496583355_100010134100 [1,1,0,0,0,0|2,0,0]=4 4258 B13R2.13 Oc1cncc(c1)N2CCCC2 271570a_203496583355_100011949850 [1,1,0,0,0,0|2,0,0]=4 4259 B13R2.18 Brc1ccncc1C2=CCCC2 271570a_100000089523_100010138639 [1,1,0,0,0,0|1,0,1]=4 4260 B13R2.18 Brc1ncccc1C2=CCCC2 271570a_100000089523_100010202626 [1,1,0,0,0,0|1,0,1]=4 4261 B13R2.18 Cc1ccncc1C2=CCCC2 271570a_100000089523_100000761580 [1,1,0,0,0,0|1,0,1]=4 4262 B13R2.18 Cc1ncccc1C2=CCCC2 271570a_100000089523_100000751574 [1,1,0,0,0,0|1,0,1]=4 4263 B13R2.18 Clc1ccncc1C2=CCCC2 271570a_100000089523_100009995489 [1,1,0,0,0,0|1,0,1]=4 4264 B13R2.18 Clc1ncccc1C2=CCCC2 271570a_100000089523_100000036424 [1,1,0,0,0,0|1,0,1]=4 4265 B13R2.18 Fc1ccncc1C2=CCCC2 271570a_100000089523_100009820683 [1,1,0,0,0,0|1,0,1]=4 4266 B13R2.18 Fc1ncccc1C2=CCCC2 271570a_100000089523_100009816115 [1,1,0,0,0,0|1,0,1]=4 4267 B13R2.18 Nc1ccncc1C2=CCCC2 271570a_100000089523_100000047001 [1,1,0,0,0,0|1,0,1]=4 4268 B13R2.18 Nc1ncccc1C2=CCCC2 271570a_100000089523_100000045569 [1,1,0,0,0,0|1,0,1]=4 4269 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [1,1,0,0,0,0|1,0,0]=3 4270 B13R2.61 CCN1CCCC1c2ccco2 2230a_100011206061_100000210202 [0,1,0,0,1,0|1,0,0]=3 4271 B13R2.61 CCN1CCCC1c2ccco2 269982a_100011206061_100000204670 [0,1,0,0,1,0|1,0,0]=3 4272 B13R2.61 CCN1CCCC1c2cccs2 2230a_100000185107_100000210202 [0,1,0,0,1,0|1,0,0]=3 4273 B13R2.61 CCN1CCCC1c2cccs2 269982a_100000185107_100000204670 [0,1,0,0,1,0|1,0,0]=3 4274 B13R2.61 CCN1CCCC1c2cccs2 34a_100000185107_100000210202 [0,1,0,0,1,0|1,0,0]=3 4275 B13R2.61 CCN1CCCC1c2ncc[nH]2 2230a_100000696250_100000210202 [0,1,0,0,1,0|1,0,0]=3 4276 B13R2.61 CCN1CCCC1c2ncc[nH]2 269982a_100000696250_100000204670 [0,1,0,0,1,0|1,0,0]=3 4277 B13R2.61 CCN1CCCC1c2nccs2 2230a_100102564405_100000210202 [0,1,0,0,1,0|1,0,0]=3 4278 B13R2.61 CCN1CCCC1c2nccs2 269982a_100102564405_100000204670 [0,1,0,0,1,0|1,0,0]=3 4279 B13R2.61 FCN1CCCC1c2ccco2 269982a_100011206061_100015361967 [0,1,0,0,1,0|1,0,0]=3 4280 B13R2.61 FCN1CCCC1c2cccs2 269982a_100000185107_100015361967 [0,1,0,0,1,0|1,0,0]=3 4281 B13R2.61 FCN1CCCC1c2cccs2 34a_100000185107_100015361967 [0,1,0,0,1,0|1,0,0]=3 4282 B13R2.61 FCN1CCCC1c2ncc[nH]2 269982a_100000696250_100015361967 [0,1,0,0,1,0|1,0,0]=3 4283 B13R2.61 FCN1CCCC1c2nccs2 269982a_100102564405_100015361967 [0,1,0,0,1,0|1,0,0]=3 4284 B13R2.144 CN1CCCC1c2ccc(s2)Cl 2230a_106354213609_200000210301 [0,1,0,0,1,0|1,0,0]=3 4285 B13R2.144 CN1CCCC1c2ccc(s2)Cl 269982a_106354213609_200000210301 [0,1,0,0,1,0|1,0,0]=3 4286 B13R2.144 Cc1cc(no1)C2CCCN2C 2230a_100000736709_200000210301 [0,1,0,0,1,0|1,0,0]=3 4287 B13R2.144 Cc1cc(no1)C2CCCN2C 269982a_100000736709_200000210301 [0,1,0,0,1,0|1,0,0]=3 4288 B13R2.144 Cc1cc(no1)C2CCCN2C 34a_100000736709_200000210301 [0,1,0,0,1,0|1,0,0]=3 4289 B13R2.144 Cc1cc(no1)C2CCCN2[13CH3] 2230a_100000736709_200025704644 [0,1,0,0,1,0|1,0,0]=3 4290 B13R2.144 Cc1cc(no1)C2CCCN2[13CH3] 269982a_100000736709_200025704644 [0,1,0,0,1,0|1,0,0]=3 4291 B13R2.144 Cc1cc(no1)C2CCCN2[13CH3] 34a_100000736709_200025704644 [0,1,0,0,1,0|1,0,0]=3 4292 B13R2.144 Cc1cc(on1)C2CCCN2C 2230a_106430523522_200000210301 [0,1,0,0,1,0|1,0,0]=3 4293 B13R2.144 Cc1cc(on1)C2CCCN2C 269982a_106430523522_200000210301 [0,1,0,0,1,0|1,0,0]=3 4294 B13R2.144 Cc1cc(on1)C2CCCN2C 34a_106430523522_200000210301 [0,1,0,0,1,0|1,0,0]=3 4295 B13R2.144 Cc1cc(on1)C2CCCN2[13CH3] 2230a_106430523522_200025704644 [0,1,0,0,1,0|1,0,0]=3 4296 B13R2.144 Cc1cc(on1)C2CCCN2[13CH3] 269982a_106430523522_200025704644 [0,1,0,0,1,0|1,0,0]=3 4297 B13R2.144 Cc1cc(on1)C2CCCN2[13CH3] 34a_106430523522_200025704644 [0,1,0,0,1,0|1,0,0]=3 4298 B13R2.144 Cc1nc(n[nH]1)[C@H]2CCCN2C 2230a_100102886923_200000210301 [0,1,0,0,1,0|2,0,0]=4 4299 B13R2.144 Cc1nc(n[nH]1)[C@H]2CCCN2C 269982a_100102886923_200000210301 [0,1,0,0,1,0|2,0,0]=4 4300 B13R2.144 Cc1nc(n[nH]1)[C@H]2CCCN2[13CH3] 2230a_100102886923_200025704644 [0,1,0,0,1,0|2,0,0]=4 4301 B13R2.144 Cc1nc(n[nH]1)[C@H]2CCCN2[13CH3] 269982a_100102886923_200025704644 [0,1,0,0,1,0|2,0,0]=4 4302 B13R2.144 Cc1noc(n1)C2CCCN2C 2230a_100000730680_200000210301 [0,1,0,0,1,0|2,0,0]=4 4303 B13R2.144 Cc1noc(n1)C2CCCN2C 269982a_100000730680_200000210301 [0,1,0,0,1,0|2,0,0]=4 4304 B13R2.144 Cc1noc(n1)C2CCCN2C 34a_100000730680_200000210301 [0,1,0,0,1,0|2,0,0]=4 4305 B13R2.144 Cc1noc(n1)C2CCCN2[13CH3] 2230a_100000730680_200025704644 [0,1,0,0,1,0|2,0,0]=4 4306 B13R2.144 Cc1noc(n1)C2CCCN2[13CH3] 269982a_100000730680_200025704644 [0,1,0,0,1,0|2,0,0]=4 4307 B13R2.144 Cc1noc(n1)C2CCCN2[13CH3] 34a_100000730680_200025704644 [0,1,0,0,1,0|2,0,0]=4 4308 B13R2.144 Cc1noc(n1)[C@@H]2CCCN2C 270196a_100000212224_100009816429 [0,1,0,0,1,0|2,0,0]=4 4309 B13R2.144 [13CH3]N1CCCC1c2ccc(s2)Cl 2230a_106354213609_200025704644 [0,1,0,0,1,0|1,0,0]=3 4310 B13R2.144 [13CH3]N1CCCC1c2ccc(s2)Cl 269982a_106354213609_200025704644 [0,1,0,0,1,0|1,0,0]=3 4311 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,1,0,0,1,0|1,0,0]=3 4312 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,1,0,0,1,0|1,0,0]=3 4313 B13R2.56 FCN1CCC1c2ccccc2 269982a_100000739605_100015361967 [0,1,0,0,1,0|1,0,0]=3 4314 B15R2.17 CCN1CCCC(C1)c2ccccc2 2230a_100011236195_100000210202 [0,1,0,0,0,1|1,0,0]=3 4315 B15R2.17 CCN1CCCC(C1)c2ccccc2 269982a_100011236195_100000204670 [0,1,0,0,0,1|1,0,0]=3 4316 B15R2.17 CCN1CCCC(C1)c2ccccc2 34a_100011236195_100000210202 [0,1,0,0,0,1|1,0,0]=3 4317 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_100000210202 [0,1,0,0,0,1|2,0,0]=4 4318 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_100000204670 [0,1,0,0,0,1|2,0,0]=4 4319 B15R2.17 CCN1CCO[C@H](C1)c2ccccc2 34a_100009815478_100000210202 [0,1,0,0,0,1|2,0,0]=4 4320 B15R2.17 CNC1CCCC(C1)c2ccccc2 270004a_106832991635_100000718469 [0,1,0,0,0,1|2,0,0]=4 4321 B15R2.17 FCN1CCCC(C1)c2ccccc2 269982a_100011236195_100015361967 [0,1,0,0,0,1|1,0,0]=3 4322 B15R2.17 FCN1CCCC(C1)c2ccccc2 34a_100011236195_100015361967 [0,1,0,0,0,1|1,0,0]=3 4323 B15R2.17 FCN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_100015361967 [0,1,0,0,0,1|2,0,0]=4 4324 B15R2.17 FCN1CCO[C@H](C1)c2ccccc2 34a_100009815478_100015361967 [0,1,0,0,0,1|2,0,0]=4 4325 B15R2.28 CN1CCC[C@H](C1)c2ccc(cc2)Br 2230a_106439422950_200000210301 [0,1,0,0,0,1|1,0,0]=3 4326 B15R2.28 CN1CCC[C@H](C1)c2ccc(cc2)Br 269982a_106439422950_200000210301 [0,1,0,0,0,1|1,0,0]=3 4327 B15R2.28 CN1CCC[C@H](C1)c2ccc(cc2)Br 34a_106439422950_200000210301 [0,1,0,0,0,1|1,0,0]=3 4328 B15R2.28 CN1CCOC(C1)c2ccc(cc2)Br 2230a_100000745233_200000210301 [0,1,0,0,0,1|2,0,0]=4 4329 B15R2.28 CN1CCOC(C1)c2ccc(cc2)Br 269982a_100000745233_200000210301 [0,1,0,0,0,1|2,0,0]=4 4330 B15R2.28 CN1CCOC(C1)c2ccc(cc2)Br 34a_100000745233_200000210301 [0,1,0,0,0,1|2,0,0]=4 4331 B15R2.28 [13CH3]N1CCC[C@H](C1)c2ccc(cc2)Br 2230a_106439422950_200025704644 [0,1,0,0,0,1|1,0,0]=3 4332 B15R2.28 [13CH3]N1CCC[C@H](C1)c2ccc(cc2)Br 269982a_106439422950_200025704644 [0,1,0,0,0,1|1,0,0]=3 4333 B15R2.28 [13CH3]N1CCC[C@H](C1)c2ccc(cc2)Br 34a_106439422950_200025704644 [0,1,0,0,0,1|1,0,0]=3 4334 B15R2.28 [13CH3]N1CCOC(C1)c2ccc(cc2)Br 2230a_100000745233_200025704644 [0,1,0,0,0,1|2,0,0]=4 4335 B15R2.28 [13CH3]N1CCOC(C1)c2ccc(cc2)Br 269982a_100000745233_200025704644 [0,1,0,0,0,1|2,0,0]=4 4336 B15R2.28 [13CH3]N1CCOC(C1)c2ccc(cc2)Br 34a_100000745233_200025704644 [0,1,0,0,0,1|2,0,0]=4 4337 B15R2.30 Cc1cccc(c1)C2CCCN(C2)C 2230a_100015187063_200000210301 [0,1,0,0,0,1|1,0,0]=3 4338 B15R2.30 Cc1cccc(c1)C2CCCN(C2)C 269982a_100015187063_200000210301 [0,1,0,0,0,1|1,0,0]=3 4339 B15R2.30 Cc1cccc(c1)C2CCCN(C2)C 34a_100015187063_200000210301 [0,1,0,0,0,1|1,0,0]=3 4340 B15R2.30 Cc1cccc(c1)C2CCCN(C2)[13CH3] 2230a_100015187063_200025704644 [0,1,0,0,0,1|1,0,0]=3 4341 B15R2.30 Cc1cccc(c1)C2CCCN(C2)[13CH3] 269982a_100015187063_200025704644 [0,1,0,0,0,1|1,0,0]=3 4342 B15R2.30 Cc1cccc(c1)C2CCCN(C2)[13CH3] 34a_100015187063_200025704644 [0,1,0,0,0,1|1,0,0]=3 4343 B15R2.33 CN1CCN(C(C1)c2ccccc2)C 2230a_100000212268_200000210301 [0,1,0,0,0,1|2,0,0]=4 4344 B15R2.33 CN1CCN(C(C1)c2ccccc2)C 269982a_100000212268_200000210301 [0,1,0,0,0,1|2,0,0]=4 4345 B15R2.33 CN1CCN(C(C1)c2ccccc2)[13CH3] 2230a_100000212268_200025704644 [0,1,0,0,0,1|2,0,0]=4 4346 B15R2.33 CN1CCN(C(C1)c2ccccc2)[13CH3] 269982a_100000212268_200025704644 [0,1,0,0,0,1|2,0,0]=4 4347 B15R2.1113 CN1CCCC(C1)(O)c2ccccc2 2230a_100025771231_200000210301 [0,1,0,0,0,1|1,0,0]=3 4348 B15R2.1113 CN1CCCC(C1)(O)c2ccccc2 269982a_100025771231_200000210301 [0,1,0,0,0,1|1,0,0]=3 4349 B15R2.1113 [13CH3]N1CCCC(C1)(O)c2ccccc2 2230a_100025771231_200025704644 [0,1,0,0,0,1|1,0,0]=3 4350 B15R2.1113 [13CH3]N1CCCC(C1)(O)c2ccccc2 269982a_100025771231_200025704644 [0,1,0,0,0,1|1,0,0]=3 4351 B15R2.21 CCN1CC=CCC1c2cccnc2 2230a_100000065465_100000210202 [0,1,0,0,0,1|0,0,1]=3 4352 B15R2.21 CCN1CC=CCC1c2cccnc2 269982a_100000065465_100000204670 [0,1,0,0,0,1|0,0,1]=3 4353 B15R2.21 CCN1CCCCC1c2ccccc2 2230a_100000707174_100000210202 [0,1,0,0,0,1|1,0,0]=3 4354 B15R2.21 CCN1CCCCC1c2ccccc2 269982a_100000707174_100000204670 [0,1,0,0,0,1|1,0,0]=3 4355 B15R2.21 CCN1CCCCC1c2ccccc2 34a_100000707174_100000210202 [0,1,0,0,0,1|1,0,0]=3 4356 B15R2.21 CCN1CCCCC1c2ccccn2 2230a_100015185292_100000210202 [0,1,0,0,0,1|2,0,0]=4 4357 B15R2.21 CCN1CCCCC1c2ccccn2 269982a_100015185292_100000204670 [0,1,0,0,0,1|2,0,0]=4 4358 B15R2.21 CCN1CCCCC1c2cccnc2 2230a_100000723942_100000210202 [0,1,0,0,0,1|0,0,0]=2 4359 B15R2.21 CCN1CCCCC1c2cccnc2 269982a_100000723942_100000204670 [0,1,0,0,0,1|0,0,0]=2 4360 B15R2.21 CCN1CCOCC1c2ccccc2 2230a_100000765270_100000210202 [0,1,0,0,0,1|1,0,0]=3 4361 B15R2.21 CCN1CCOCC1c2ccccc2 269982a_100000765270_100000204670 [0,1,0,0,0,1|1,0,0]=3 4362 B15R2.21 CCN1CCOCC1c2ccccc2 34a_100000765270_100000210202 [0,1,0,0,0,1|1,0,0]=3 4363 B15R2.21 CCN1CCSCC1c2ccccc2 2230a_102495339932_100000210202 [0,1,0,0,0,1|1,0,0]=3 4364 B15R2.21 CCN1CCSCC1c2ccccc2 269982a_102495339932_100000204670 [0,1,0,0,0,1|1,0,0]=3 4365 B15R2.21 CCN1CCSCC1c2ccccc2 7a_102495339932_100000210202 [0,1,0,0,0,1|1,0,0]=3 4366 B15R2.21 CNC1CCCCC1c2ccccc2 270004a_106832991635_100000212245 [0,1,0,0,0,1|2,0,0]=4 4367 B15R2.21 CO[C@@H]1CCCC[C@H]1c2ccccc2 34a_100009815809_200000210301 [0,1,0,0,0,1|2,0,0]=4 4368 B15R2.21 CO[C@@H]1CCCC[C@H]1c2ccccc2 7a_100009815809_200000210301 [0,1,0,0,0,1|2,0,0]=4 4369 B15R2.21 FCN1CC=CCC1c2cccnc2 269982a_100000065465_100015361967 [0,1,0,0,0,1|0,0,1]=3 4370 B15R2.21 FCN1CCCCC1c2ccccc2 269982a_100000707174_100015361967 [0,1,0,0,0,1|1,0,0]=3 4371 B15R2.21 FCN1CCCCC1c2ccccc2 34a_100000707174_100015361967 [0,1,0,0,0,1|1,0,0]=3 4372 B15R2.21 FCN1CCCCC1c2ccccn2 269982a_100015185292_100015361967 [0,1,0,0,0,1|2,0,0]=4 4373 B15R2.21 FCN1CCCCC1c2cccnc2 269982a_100000723942_100015361967 [0,1,0,0,0,1|0,0,0]=2 4374 B15R2.21 FCN1CCOCC1c2ccccc2 269982a_100000765270_100015361967 [0,1,0,0,0,1|1,0,0]=3 4375 B15R2.21 FCN1CCOCC1c2ccccc2 34a_100000765270_100015361967 [0,1,0,0,0,1|1,0,0]=3 4376 B15R2.21 FCN1CCSCC1c2ccccc2 269982a_102495339932_100015361967 [0,1,0,0,0,1|1,0,0]=3 4377 B15R2.21 FCN1CCSCC1c2ccccc2 7a_102495339932_100015361967 [0,1,0,0,0,1|1,0,0]=3 4378 B15R2.21 [13CH3]O[C@@H]1CCCC[C@H]1c2ccccc2 34a_100009815809_200025704644 [0,1,0,0,0,1|2,0,0]=4 4379 B15R2.21 [13CH3]O[C@@H]1CCCC[C@H]1c2ccccc2 7a_100009815809_200025704644 [0,1,0,0,0,1|2,0,0]=4 4380 B15R2.308 CN1CCCCC1c2ccc(cc2)Br 2230a_100010004824_200000210301 [0,1,0,0,0,1|1,0,0]=3 4381 B15R2.308 CN1CCCCC1c2ccc(cc2)Br 269982a_100010004824_200000210301 [0,1,0,0,0,1|1,0,0]=3 4382 B15R2.308 CN1CCCCC1c2ccc(cc2)Br 34a_100010004824_200000210301 [0,1,0,0,0,1|1,0,0]=3 4383 B15R2.308 CN1CCCCC1c2ccc(cc2)F 2230a_100000765486_200000210301 [0,1,0,0,0,1|1,0,0]=3 4384 B15R2.308 CN1CCCCC1c2ccc(cc2)F 269982a_100000765486_200000210301 [0,1,0,0,0,1|1,0,0]=3 4385 B15R2.308 CN1CCCCC1c2ccc(cc2)F 34a_100000765486_200000210301 [0,1,0,0,0,1|1,0,0]=3 4386 B15R2.308 CN1CCCC[C@H]1c2ccc(cc2)Cl 2230a_100025732418_200000210301 [0,1,0,0,0,1|1,0,0]=3 4387 B15R2.308 CN1CCCC[C@H]1c2ccc(cc2)Cl 269982a_100025732418_200000210301 [0,1,0,0,0,1|1,0,0]=3 4388 B15R2.308 CN1CCCC[C@H]1c2ccc(cc2)Cl 34a_100025732418_200000210301 [0,1,0,0,0,1|1,0,0]=3 4389 B15R2.308 CN1CCSCC1c2ccc(cc2)F 2230a_100159357692_200000210301 [0,1,0,0,0,1|1,0,0]=3 4390 B15R2.308 CN1CCSCC1c2ccc(cc2)F 269982a_100159357692_200000210301 [0,1,0,0,0,1|1,0,0]=3 4391 B15R2.308 CN1CCSCC1c2ccc(cc2)F 34a_100159357692_200000210301 [0,1,0,0,0,1|1,0,0]=3 4392 B15R2.308 CN1CCSCC1c2ccc(cc2)F 7a_100159357692_200000210301 [0,1,0,0,0,1|1,0,0]=3 4393 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)Br 2230a_100010004824_200025704644 [0,1,0,0,0,1|1,0,0]=3 4394 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)Br 269982a_100010004824_200025704644 [0,1,0,0,0,1|1,0,0]=3 4395 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)Br 34a_100010004824_200025704644 [0,1,0,0,0,1|1,0,0]=3 4396 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)F 2230a_100000765486_200025704644 [0,1,0,0,0,1|1,0,0]=3 4397 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)F 269982a_100000765486_200025704644 [0,1,0,0,0,1|1,0,0]=3 4398 B15R2.308 [13CH3]N1CCCCC1c2ccc(cc2)F 34a_100000765486_200025704644 [0,1,0,0,0,1|1,0,0]=3 4399 B15R2.308 [13CH3]N1CCCC[C@H]1c2ccc(cc2)Cl 2230a_100025732418_200025704644 [0,1,0,0,0,1|1,0,0]=3 4400 B15R2.308 [13CH3]N1CCCC[C@H]1c2ccc(cc2)Cl 269982a_100025732418_200025704644 [0,1,0,0,0,1|1,0,0]=3 4401 B15R2.308 [13CH3]N1CCCC[C@H]1c2ccc(cc2)Cl 34a_100025732418_200025704644 [0,1,0,0,0,1|1,0,0]=3 4402 B15R2.308 [13CH3]N1CCSCC1c2ccc(cc2)F 2230a_100159357692_200025704644 [0,1,0,0,0,1|1,0,0]=3 4403 B15R2.308 [13CH3]N1CCSCC1c2ccc(cc2)F 269982a_100159357692_200025704644 [0,1,0,0,0,1|1,0,0]=3 4404 B15R2.308 [13CH3]N1CCSCC1c2ccc(cc2)F 34a_100159357692_200025704644 [0,1,0,0,0,1|1,0,0]=3 4405 B15R2.308 [13CH3]N1CCSCC1c2ccc(cc2)F 7a_100159357692_200025704644 [0,1,0,0,0,1|1,0,0]=3 4406 B15R2.389 CN1CC(=O)OC[C@@H]1c2ccccc2 2230a_100000005368_200000210301 [0,1,0,0,0,1|1,0,1]=4 4407 B15R2.389 CN1CC(=O)OC[C@@H]1c2ccccc2 269982a_100000005368_200000210301 [0,1,0,0,0,1|1,0,1]=4 4408 B15R2.389 [13CH3]N1CC(=O)OC[C@@H]1c2ccccc2 2230a_100000005368_200025704644 [0,1,0,0,0,1|1,0,1]=4 4409 B15R2.389 [13CH3]N1CC(=O)OC[C@@H]1c2ccccc2 269982a_100000005368_200025704644 [0,1,0,0,0,1|1,0,1]=4 4410 B15R2.541 CN1CCNC(=O)C1c2ccccc2 2230a_100102954019_200000210301 [0,1,0,0,0,1|1,0,1]=4 4411 B15R2.541 CN1CCNC(=O)C1c2ccccc2 269982a_100102954019_200000210301 [0,1,0,0,0,1|1,0,1]=4 4412 B15R2.541 [13CH3]N1CCNC(=O)C1c2ccccc2 2230a_100102954019_200025704644 [0,1,0,0,0,1|1,0,1]=4 4413 B15R2.541 [13CH3]N1CCNC(=O)C1c2ccccc2 269982a_100102954019_200025704644 [0,1,0,0,0,1|1,0,1]=4 4414 B15R2.555 CN1CCCCC1c2ccccc2Br 2230a_100010004825_200000210301 [0,1,0,0,0,1|1,0,0]=3 4415 B15R2.555 CN1CCCCC1c2ccccc2Br 269982a_100010004825_200000210301 [0,1,0,0,0,1|1,0,0]=3 4416 B15R2.555 CN1CCCCC1c2ccccc2Br 34a_100010004825_200000210301 [0,1,0,0,0,1|1,0,0]=3 4417 B15R2.555 CN1CCCCC1c2ccccc2Cl 2230a_100011804123_200000210301 [0,1,0,0,0,1|1,0,0]=3 4418 B15R2.555 CN1CCCCC1c2ccccc2Cl 269982a_100011804123_200000210301 [0,1,0,0,0,1|1,0,0]=3 4419 B15R2.555 CN1CCCCC1c2ccccc2Cl 34a_100011804123_200000210301 [0,1,0,0,0,1|1,0,0]=3 4420 B15R2.555 CN1CCCCC1c2ccccc2F 2230a_100011223933_200000210301 [0,1,0,0,0,1|1,0,0]=3 4421 B15R2.555 CN1CCCCC1c2ccccc2F 269982a_100011223933_200000210301 [0,1,0,0,0,1|1,0,0]=3 4422 B15R2.555 CN1CCCCC1c2ccccc2F 34a_100011223933_200000210301 [0,1,0,0,0,1|1,0,0]=3 4423 B15R2.555 CN1CCOC[C@@H]1c2ccccc2F 2230a_100015435087_200000210301 [0,1,0,0,0,1|1,0,0]=3 4424 B15R2.555 CN1CCOC[C@@H]1c2ccccc2F 269982a_100015435087_200000210301 [0,1,0,0,0,1|1,0,0]=3 4425 B15R2.555 CN1CCOC[C@@H]1c2ccccc2F 34a_100015435087_200000210301 [0,1,0,0,0,1|1,0,0]=3 4426 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Br 2230a_100010004825_200025704644 [0,1,0,0,0,1|1,0,0]=3 4427 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Br 269982a_100010004825_200025704644 [0,1,0,0,0,1|1,0,0]=3 4428 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Br 34a_100010004825_200025704644 [0,1,0,0,0,1|1,0,0]=3 4429 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Cl 2230a_100011804123_200025704644 [0,1,0,0,0,1|1,0,0]=3 4430 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Cl 269982a_100011804123_200025704644 [0,1,0,0,0,1|1,0,0]=3 4431 B15R2.555 [13CH3]N1CCCCC1c2ccccc2Cl 34a_100011804123_200025704644 [0,1,0,0,0,1|1,0,0]=3 4432 B15R2.555 [13CH3]N1CCCCC1c2ccccc2F 2230a_100011223933_200025704644 [0,1,0,0,0,1|1,0,0]=3 4433 B15R2.555 [13CH3]N1CCCCC1c2ccccc2F 269982a_100011223933_200025704644 [0,1,0,0,0,1|1,0,0]=3 4434 B15R2.555 [13CH3]N1CCCCC1c2ccccc2F 34a_100011223933_200025704644 [0,1,0,0,0,1|1,0,0]=3 4435 B15R2.555 [13CH3]N1CCOC[C@@H]1c2ccccc2F 2230a_100015435087_200025704644 [0,1,0,0,0,1|1,0,0]=3 4436 B15R2.555 [13CH3]N1CCOC[C@@H]1c2ccccc2F 269982a_100015435087_200025704644 [0,1,0,0,0,1|1,0,0]=3 4437 B15R2.555 [13CH3]N1CCOC[C@@H]1c2ccccc2F 34a_100015435087_200025704644 [0,1,0,0,0,1|1,0,0]=3 4438 B15R2.118 CCC1CCCN1Cc2cccnc2 2230a_100000754278_100000741622 [0,1,0,0,0,1|2,0,0]=4 4439 B15R2.118 CCC1CCCN1Cc2cccnc2 269982a_100000754278_100000733263 [0,1,0,0,0,1|2,0,0]=4 4440 B15R2.118 CCC1CCCN1Cc2cccnc2 270004a_100000754278_100000209961 [0,1,0,0,0,1|2,0,0]=4 4441 B15R2.118 CCC1CCCN1Cc2cccnc2 34a_100000754278_100000733263 [0,1,0,0,0,1|2,0,0]=4 4442 B15R2.118 CCN1CCCC1Cc2ccccc2 2230a_100159249835_100000210202 [0,1,0,0,0,1|1,0,0]=3 4443 B15R2.118 CCN1CCCC1Cc2ccccc2 269982a_100159249835_100000204670 [0,1,0,0,0,1|1,0,0]=3 4444 B15R2.118 CCN1CCCC1Cc2ccccc2 34a_100159249835_100000210202 [0,1,0,0,0,1|1,0,0]=3 4445 B15R2.118 CNC1CCCC1Cc2ccccc2 269862a_106832991636_200000757594 [0,1,0,0,0,1|2,0,0]=4 4446 B15R2.118 CNC1CCCC1Cc2ccccc2 270004a_106832991635_200000757594 [0,1,0,0,0,1|2,0,0]=4 4447 B15R2.118 FCN1CCCC1Cc2ccccc2 269982a_100159249835_100015361967 [0,1,0,0,0,1|1,0,0]=3 4448 B15R2.118 FCN1CCCC1Cc2ccccc2 34a_100159249835_100015361967 [0,1,0,0,0,1|1,0,0]=3 4449 B15R2.118 OC[C@H]1CCCN1Cc2cccnc2 2230a_100000745186_100000741622 [0,1,0,0,0,1|2,0,0]=4 4450 B15R2.118 OC[C@H]1CCCN1Cc2cccnc2 269982a_100000745186_100000733263 [0,1,0,0,0,1|2,0,0]=4 4451 B15R2.118 OC[C@H]1CCCN1Cc2cccnc2 270004a_100000745186_100000209961 [0,1,0,0,0,1|2,0,0]=4 4452 B15R2.118 OC[C@H]1CCCN1Cc2cccnc2 34a_100000745186_100000733263 [0,1,0,0,0,1|2,0,0]=4 4453 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)Br 2230a_100015189458_100000738771 [0,1,0,0,0,1|2,0,0]=4 4454 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)Br 269982a_100015189458_100000738771 [0,1,0,0,0,1|2,0,0]=4 4455 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)Br 270004a_100015189458_100000687066 [0,1,0,0,0,1|2,0,0]=4 4456 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)Br 34a_100015189458_100000738771 [0,1,0,0,0,1|2,0,0]=4 4457 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)Cl 2230a_100015189458_100016992070 [0,1,0,0,0,1|2,0,0]=4 4458 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)Cl 269982a_100015189458_100016992070 [0,1,0,0,0,1|2,0,0]=4 4459 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)Cl 270004a_100015189458_100000088910 [0,1,0,0,0,1|2,0,0]=4 4460 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)Cl 34a_100015189458_100016992070 [0,1,0,0,0,1|2,0,0]=4 4461 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)F 2230a_100015189458_100000725299 [0,1,0,0,0,1|2,0,0]=4 4462 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)F 269982a_100015189458_100000725299 [0,1,0,0,0,1|2,0,0]=4 4463 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)F 270004a_100015189458_100011361476 [0,1,0,0,0,1|2,0,0]=4 4464 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)F 34a_100015189458_100000725299 [0,1,0,0,0,1|2,0,0]=4 4465 B15R2.335 C[C@@H]1CCCN1Cc2cncc(c2)O 270004a_100015189458_100012187055 [0,1,0,0,0,1|2,0,0]=4 4466 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)Br 2230a_100020605311_100000738771 [0,1,0,0,0,1|2,0,0]=4 4467 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)Br 269982a_100020605311_100000738771 [0,1,0,0,0,1|2,0,0]=4 4468 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)Br 270004a_100020605311_100000687066 [0,1,0,0,0,1|2,0,0]=4 4469 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)Cl 2230a_100020605311_100016992070 [0,1,0,0,0,1|2,0,0]=4 4470 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)Cl 269982a_100020605311_100016992070 [0,1,0,0,0,1|2,0,0]=4 4471 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)Cl 270004a_100020605311_100000088910 [0,1,0,0,0,1|2,0,0]=4 4472 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)F 2230a_100020605311_100000725299 [0,1,0,0,0,1|2,0,0]=4 4473 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)F 269982a_100020605311_100000725299 [0,1,0,0,0,1|2,0,0]=4 4474 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)F 270004a_100020605311_100011361476 [0,1,0,0,0,1|2,0,0]=4 4475 B15R2.335 C[C@H]1CCCN1Cc2cncc(c2)O 270004a_100020605311_100012187055 [0,1,0,0,0,1|2,0,0]=4 4476 B15R2.335 Cc1cncc(c1)CN2CCC[C@@H]2C 2230a_100020605311_100000716715 [0,1,0,0,0,1|2,0,0]=4 4477 B15R2.335 Cc1cncc(c1)CN2CCC[C@@H]2C 269982a_100020605311_100000716715 [0,1,0,0,0,1|2,0,0]=4 4478 B15R2.335 Cc1cncc(c1)CN2CCC[C@@H]2C 270004a_100020605311_100011998712 [0,1,0,0,0,1|2,0,0]=4 4479 B15R2.335 Cc1cncc(c1)CN2CCC[C@H]2C 2230a_100015189458_100000716715 [0,1,0,0,0,1|2,0,0]=4 4480 B15R2.335 Cc1cncc(c1)CN2CCC[C@H]2C 269982a_100015189458_100000716715 [0,1,0,0,0,1|2,0,0]=4 4481 B15R2.335 Cc1cncc(c1)CN2CCC[C@H]2C 270004a_100015189458_100011998712 [0,1,0,0,0,1|2,0,0]=4 4482 B15R2.335 Cc1cncc(c1)CN2CCC[C@H]2C 34a_100015189458_100000716715 [0,1,0,0,0,1|2,0,0]=4 4483 B15R2.335 Cc1cncc(c1)OC2CCCC2=O 34a_100011830280_100000709159 [0,1,0,0,0,1|2,0,0]=4 4484 B15R2.335 Cc1cncc(c1)OC2CCCC2=O 7a_100011830280_100000211823 [0,1,0,0,0,1|2,0,0]=4 4485 B15R2.335 Cc1cncc(c1)SC2CCCC2=O 62a_100000211823_100000760492 [0,1,0,0,0,1|2,0,0]=4 4486 B15R2.335 Cc1cncc(c1)SC2CCCC2=O 62a_100000760492_100000211823 [0,1,0,0,0,1|2,0,0]=4 4487 B15R2.335 Cc1cncc(c1)S[C@@H]2CCC[C@H]2O 62a_100000760492_200016002552 [0,1,0,0,0,1|2,0,0]=4 4488 B15R2.335 Cc1cncc(c1)S[C@@H]2CCC[C@H]2O 62a_200016002552_100000760492 [0,1,0,0,0,1|2,0,0]=4 4489 B15R2.335 Nc1cncc(c1)OC2CCCC2=O 34a_100011997051_100000709159 [0,1,0,0,0,1|2,0,0]=4 4490 B15R2.335 Nc1cncc(c1)SC2CCCC2=O 62a_100000211823_100000687067 [0,1,0,0,0,1|2,0,0]=4 4491 B15R2.335 Nc1cncc(c1)SC2CCCC2=O 62a_100000687067_100000211823 [0,1,0,0,0,1|2,0,0]=4 4492 B15R2.335 Nc1cncc(c1)S[C@@H]2CCC[C@H]2O 62a_100000687067_200016002552 [0,1,0,0,0,1|2,0,0]=4 4493 B15R2.335 Nc1cncc(c1)S[C@@H]2CCC[C@H]2O 62a_200016002552_100000687067 [0,1,0,0,0,1|2,0,0]=4 4494 B15R2.335 O=C1CCCC1Oc2cncc(c2)Br 34a_100000754920_100000709159 [0,1,0,0,0,1|2,0,0]=4 4495 B15R2.335 O=C1CCCC1Oc2cncc(c2)Br 7a_100000754920_100000211823 [0,1,0,0,0,1|2,0,0]=4 4496 B15R2.335 O=C1CCCC1Oc2cncc(c2)Cl 7a_100000032511_100000211823 [0,1,0,0,0,1|2,0,0]=4 4497 B15R2.335 O=C1CCCC1Oc2cncc(c2)F 34a_100011830296_100000709159 [0,1,0,0,0,1|2,0,0]=4 4498 B15R2.335 O=C1CCCC1Oc2cncc(c2)F 7a_100011830296_100000211823 [0,1,0,0,0,1|2,0,0]=4 4499 B15R2.335 O=C1CCCC1Sc2cncc(c2)Br 62a_100000211823_100000728054 [0,1,0,0,0,1|2,0,0]=4 4500 B15R2.335 O=C1CCCC1Sc2cncc(c2)Br 62a_100000728054_100000211823 [0,1,0,0,0,1|2,0,0]=4 4501 B15R2.335 O=C1CCCC1Sc2cncc(c2)Cl 62a_100000049639_100000211823 [0,1,0,0,0,1|2,0,0]=4 4502 B15R2.335 O=C1CCCC1Sc2cncc(c2)Cl 62a_100000211823_100000049639 [0,1,0,0,0,1|2,0,0]=4 4503 B15R2.335 O=C1CCCC1Sc2cncc(c2)F 62a_100000211823_100000744099 [0,1,0,0,0,1|2,0,0]=4 4504 B15R2.335 O=C1CCCC1Sc2cncc(c2)F 62a_100000744099_100000211823 [0,1,0,0,0,1|2,0,0]=4 4505 B15R2.335 O=C1CCCC1Sc2cncc(c2)O 62a_100000211823_100000754920 [0,1,0,0,0,1|2,0,0]=4 4506 B15R2.335 O=C1CCCC1Sc2cncc(c2)O 62a_100000754920_100000211823 [0,1,0,0,0,1|2,0,0]=4 4507 B15R2.335 O[C@@H]1CCC[C@H]1Sc2cncc(c2)Br 62a_100000728054_200016002552 [0,1,0,0,0,1|2,0,0]=4 4508 B15R2.335 O[C@@H]1CCC[C@H]1Sc2cncc(c2)Br 62a_200016002552_100000728054 [0,1,0,0,0,1|2,0,0]=4 4509 B15R2.335 O[C@@H]1CCC[C@H]1Sc2cncc(c2)Cl 62a_100000049639_200016002552 [0,1,0,0,0,1|2,0,0]=4 4510 B15R2.335 O[C@@H]1CCC[C@H]1Sc2cncc(c2)Cl 62a_200016002552_100000049639 [0,1,0,0,0,1|2,0,0]=4 4511 B15R2.335 O[C@@H]1CCC[C@H]1Sc2cncc(c2)F 62a_100000744099_200016002552 [0,1,0,0,0,1|2,0,0]=4 4512 B15R2.335 O[C@@H]1CCC[C@H]1Sc2cncc(c2)F 62a_200016002552_100000744099 [0,1,0,0,0,1|2,0,0]=4 4513 B15R2.335 Oc1cncc(c1)S[C@@H]2CCC[C@H]2O 62a_100000754920_200016002552 [0,1,0,0,0,1|2,0,0]=4 4514 B15R2.335 Oc1cncc(c1)S[C@@H]2CCC[C@H]2O 62a_200016002552_100000754920 [0,1,0,0,0,1|2,0,0]=4 4515 B15R2.355 CC1CCC(N1Cc2cccnc2)C 2230a_100000687148_100000741622 [0,1,0,0,0,1|2,0,0]=4 4516 B15R2.355 CC1CCC(N1Cc2cccnc2)C 269982a_100000687148_100000733263 [0,1,0,0,0,1|2,0,0]=4 4517 B15R2.355 CC1CCC(N1Cc2cccnc2)C 34a_100000687148_100000733263 [0,1,0,0,0,1|2,0,0]=4 4518 B15R2.359 CN1CCCC1Cc2ccccc2Cl 2230a_100000744037_200000210301 [0,1,0,0,0,1|1,0,0]=3 4519 B15R2.359 CN1CCCC1Cc2ccccc2Cl 269982a_100000744037_200000210301 [0,1,0,0,0,1|1,0,0]=3 4520 B15R2.359 CN1CCCC1Cc2ccccc2Cl 34a_100000744037_200000210301 [0,1,0,0,0,1|1,0,0]=3 4521 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2Br 2230a_100015189458_100010140945 [0,1,0,0,0,1|2,0,0]=4 4522 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2Br 269982a_100015189458_100010140945 [0,1,0,0,0,1|2,0,0]=4 4523 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2Br 34a_100015189458_100010140945 [0,1,0,0,0,1|2,0,0]=4 4524 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2Cl 2230a_100015189458_100000045678 [0,1,0,0,0,1|2,0,0]=4 4525 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2Cl 269982a_100015189458_100000045678 [0,1,0,0,0,1|2,0,0]=4 4526 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2Cl 34a_100015189458_100000045678 [0,1,0,0,0,1|2,0,0]=4 4527 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2F 2230a_100015189458_100000099810 [0,1,0,0,0,1|2,0,0]=4 4528 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2F 269982a_100015189458_100000099810 [0,1,0,0,0,1|2,0,0]=4 4529 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2F 34a_100015189458_100000099810 [0,1,0,0,0,1|2,0,0]=4 4530 B15R2.359 C[C@@H]1CCCN1Cc2cccnc2O 270004a_100015189458_100011998315 [0,1,0,0,0,1|2,0,0]=4 4531 B15R2.359 C[C@@H]1CCCN1Cc2cnccc2Br 270004a_100015189458_100009816821 [0,1,0,0,0,1|2,0,0]=4 4532 B15R2.359 C[C@@H]1CCCN1Cc2cnccc2Cl 270004a_100015189458_100000050567 [0,1,0,0,0,1|2,0,0]=4 4533 B15R2.359 C[C@H]1CCCN1Cc2cccnc2Br 2230a_100020605311_100010140945 [0,1,0,0,0,1|2,0,0]=4 4534 B15R2.359 C[C@H]1CCCN1Cc2cccnc2Br 269982a_100020605311_100010140945 [0,1,0,0,0,1|2,0,0]=4 4535 B15R2.359 C[C@H]1CCCN1Cc2cccnc2Cl 2230a_100020605311_100000045678 [0,1,0,0,0,1|2,0,0]=4 4536 B15R2.359 C[C@H]1CCCN1Cc2cccnc2Cl 269982a_100020605311_100000045678 [0,1,0,0,0,1|2,0,0]=4 4537 B15R2.359 C[C@H]1CCCN1Cc2cccnc2F 2230a_100020605311_100000099810 [0,1,0,0,0,1|2,0,0]=4 4538 B15R2.359 C[C@H]1CCCN1Cc2cccnc2F 269982a_100020605311_100000099810 [0,1,0,0,0,1|2,0,0]=4 4539 B15R2.359 C[C@H]1CCCN1Cc2cccnc2O 270004a_100020605311_100011998315 [0,1,0,0,0,1|2,0,0]=4 4540 B15R2.359 C[C@H]1CCCN1Cc2cnccc2Br 270004a_100020605311_100009816821 [0,1,0,0,0,1|2,0,0]=4 4541 B15R2.359 C[C@H]1CCCN1Cc2cnccc2Cl 270004a_100020605311_100000050567 [0,1,0,0,0,1|2,0,0]=4 4542 B15R2.359 Cc1ccccc1CC2CCCN2C 2230a_100000755832_200000210301 [0,1,0,0,0,1|1,0,0]=3 4543 B15R2.359 Cc1ccccc1CC2CCCN2C 269982a_100000755832_200000210301 [0,1,0,0,0,1|1,0,0]=3 4544 B15R2.359 Cc1ccccc1CC2CCCN2C 34a_100000755832_200000210301 [0,1,0,0,0,1|1,0,0]=3 4545 B15R2.359 Cc1ccccc1CC2CCCN2[13CH3] 2230a_100000755832_200025704644 [0,1,0,0,0,1|1,0,0]=3 4546 B15R2.359 Cc1ccccc1CC2CCCN2[13CH3] 269982a_100000755832_200025704644 [0,1,0,0,0,1|1,0,0]=3 4547 B15R2.359 Cc1ccccc1CC2CCCN2[13CH3] 34a_100000755832_200025704644 [0,1,0,0,0,1|1,0,0]=3 4548 B15R2.359 Cc1ccncc1CN2CCC[C@@H]2C 2230a_100020605311_100000690890 [0,1,0,0,0,1|2,0,0]=4 4549 B15R2.359 Cc1ccncc1CN2CCC[C@@H]2C 269982a_100020605311_100000690890 [0,1,0,0,0,1|2,0,0]=4 4550 B15R2.359 Cc1ccncc1CN2CCC[C@@H]2C 270004a_100020605311_100000685662 [0,1,0,0,0,1|2,0,0]=4 4551 B15R2.359 Cc1ccncc1CN2CCC[C@H]2C 2230a_100015189458_100000690890 [0,1,0,0,0,1|2,0,0]=4 4552 B15R2.359 Cc1ccncc1CN2CCC[C@H]2C 269982a_100015189458_100000690890 [0,1,0,0,0,1|2,0,0]=4 4553 B15R2.359 Cc1ccncc1CN2CCC[C@H]2C 270004a_100015189458_100000685662 [0,1,0,0,0,1|2,0,0]=4 4554 B15R2.359 Cc1ccncc1CN2CCC[C@H]2C 34a_100015189458_100000690890 [0,1,0,0,0,1|2,0,0]=4 4555 B15R2.359 Cc1ccncc1OC2CCCC2=O 34a_100011997053_100000709159 [0,1,0,0,0,1|2,0,0]=4 4556 B15R2.359 Cc1ccncc1OC2CCCC2=O 7a_100011997053_100000211823 [0,1,0,0,0,1|2,0,0]=4 4557 B15R2.359 Cc1ccncc1SC2CCCC2=O 62a_100000211823_100000761580 [0,1,0,0,0,1|2,0,0]=4 4558 B15R2.359 Cc1ccncc1SC2CCCC2=O 62a_100000761580_100000211823 [0,1,0,0,0,1|2,0,0]=4 4559 B15R2.359 Cc1ccncc1S[C@@H]2CCC[C@H]2O 62a_100000761580_200016002552 [0,1,0,0,0,1|2,0,0]=4 4560 B15R2.359 Cc1ccncc1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000761580 [0,1,0,0,0,1|2,0,0]=4 4561 B15R2.359 Cc1ncccc1CN2CCC[C@@H]2C 2230a_100020605311_100000732876 [0,1,0,0,0,1|2,0,0]=4 4562 B15R2.359 Cc1ncccc1CN2CCC[C@@H]2C 269982a_100020605311_100000732876 [0,1,0,0,0,1|2,0,0]=4 4563 B15R2.359 Cc1ncccc1CN2CCC[C@@H]2C 270004a_100020605311_100000751968 [0,1,0,0,0,1|2,0,0]=4 4564 B15R2.359 Cc1ncccc1CN2CCC[C@H]2C 2230a_100015189458_100000732876 [0,1,0,0,0,1|2,0,0]=4 4565 B15R2.359 Cc1ncccc1CN2CCC[C@H]2C 269982a_100015189458_100000732876 [0,1,0,0,0,1|2,0,0]=4 4566 B15R2.359 Cc1ncccc1CN2CCC[C@H]2C 270004a_100015189458_100000751968 [0,1,0,0,0,1|2,0,0]=4 4567 B15R2.359 Cc1ncccc1CN2CCC[C@H]2C 34a_100015189458_100000732876 [0,1,0,0,0,1|2,0,0]=4 4568 B15R2.359 Cc1ncccc1OC2CCCC2=O 34a_100000745507_100000709159 [0,1,0,0,0,1|2,0,0]=4 4569 B15R2.359 Cc1ncccc1OC2CCCC2=O 7a_100000745507_100000211823 [0,1,0,0,0,1|2,0,0]=4 4570 B15R2.359 Cc1ncccc1SC2CCCC2=O 62a_100000211823_100000751574 [0,1,0,0,0,1|2,0,0]=4 4571 B15R2.359 Cc1ncccc1SC2CCCC2=O 62a_100000751574_100000211823 [0,1,0,0,0,1|2,0,0]=4 4572 B15R2.359 Cc1ncccc1S[C@@H]2CCC[C@H]2O 62a_100000751574_200016002552 [0,1,0,0,0,1|2,0,0]=4 4573 B15R2.359 Cc1ncccc1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000751574 [0,1,0,0,0,1|2,0,0]=4 4574 B15R2.359 Nc1ccncc1OC2CCCC2=O 34a_100000753702_100000709159 [0,1,0,0,0,1|2,0,0]=4 4575 B15R2.359 Nc1ccncc1SC2CCCC2=O 62a_100000047001_100000211823 [0,1,0,0,0,1|2,0,0]=4 4576 B15R2.359 Nc1ccncc1SC2CCCC2=O 62a_100000211823_100000047001 [0,1,0,0,0,1|2,0,0]=4 4577 B15R2.359 Nc1ccncc1S[C@@H]2CCC[C@H]2O 62a_100000047001_200016002552 [0,1,0,0,0,1|2,0,0]=4 4578 B15R2.359 Nc1ccncc1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000047001 [0,1,0,0,0,1|2,0,0]=4 4579 B15R2.359 Nc1ncccc1OC2CCCC2=O 34a_100000211975_100000709159 [0,1,0,0,0,1|2,0,0]=4 4580 B15R2.359 Nc1ncccc1OC2CCCC2=O 7a_100000211975_100000211823 [0,1,0,0,0,1|2,0,0]=4 4581 B15R2.359 Nc1ncccc1SC2CCCC2=O 62a_100000045569_100000211823 [0,1,0,0,0,1|2,0,0]=4 4582 B15R2.359 Nc1ncccc1SC2CCCC2=O 62a_100000211823_100000045569 [0,1,0,0,0,1|2,0,0]=4 4583 B15R2.359 Nc1ncccc1S[C@@H]2CCC[C@H]2O 62a_100000045569_200016002552 [0,1,0,0,0,1|2,0,0]=4 4584 B15R2.359 Nc1ncccc1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000045569 [0,1,0,0,0,1|2,0,0]=4 4585 B15R2.359 O=C1CCCC1Oc2cccnc2Br 34a_100000744436_100000709159 [0,1,0,0,0,1|2,0,0]=4 4586 B15R2.359 O=C1CCCC1Oc2cccnc2Br 7a_100000744436_100000211823 [0,1,0,0,0,1|2,0,0]=4 4587 B15R2.359 O=C1CCCC1Oc2cccnc2Cl 34a_100000757616_100000709159 [0,1,0,0,0,1|2,0,0]=4 4588 B15R2.359 O=C1CCCC1Oc2cccnc2Cl 7a_100000757616_100000211823 [0,1,0,0,0,1|2,0,0]=4 4589 B15R2.359 O=C1CCCC1Oc2cccnc2F 34a_100000061740_100000709159 [0,1,0,0,0,1|2,0,0]=4 4590 B15R2.359 O=C1CCCC1Oc2cccnc2F 7a_100000061740_100000211823 [0,1,0,0,0,1|2,0,0]=4 4591 B15R2.359 O=C1CCCC1Oc2cccnc2I 34a_100000034122_100000709159 [0,1,0,0,0,1|2,0,0]=4 4592 B15R2.359 O=C1CCCC1Oc2cccnc2I 7a_100000034122_100000211823 [0,1,0,0,0,1|2,0,0]=4 4593 B15R2.359 O=C1CCCC1Oc2cnccc2Cl 34a_100011996695_100000709159 [0,1,0,0,0,1|2,0,0]=4 4594 B15R2.359 O=C1CCCC1Oc2cnccc2I 34a_100000050107_100000709159 [0,1,0,0,0,1|2,0,0]=4 4595 B15R2.359 O=C1CCCC1Sc2cccnc2Br 62a_100000211823_100010202626 [0,1,0,0,0,1|2,0,0]=4 4596 B15R2.359 O=C1CCCC1Sc2cccnc2Br 62a_100010202626_100000211823 [0,1,0,0,0,1|2,0,0]=4 4597 B15R2.359 O=C1CCCC1Sc2cccnc2Cl 62a_100000036424_100000211823 [0,1,0,0,0,1|2,0,0]=4 4598 B15R2.359 O=C1CCCC1Sc2cccnc2Cl 62a_100000211823_100000036424 [0,1,0,0,0,1|2,0,0]=4 4599 B15R2.359 O=C1CCCC1Sc2cccnc2F 62a_100000211823_100009816115 [0,1,0,0,0,1|2,0,0]=4 4600 B15R2.359 O=C1CCCC1Sc2cccnc2F 62a_100009816115_100000211823 [0,1,0,0,0,1|2,0,0]=4 4601 B15R2.359 O=C1CCCC1Sc2cccnc2O 62a_100000211823_100000760158 [0,1,0,0,0,1|2,0,0]=4 4602 B15R2.359 O=C1CCCC1Sc2cccnc2O 62a_100000760158_100000211823 [0,1,0,0,0,1|2,0,0]=4 4603 B15R2.359 O=C1CCCC1Sc2cnccc2Br 62a_100000211823_100010138639 [0,1,0,0,0,1|2,0,0]=4 4604 B15R2.359 O=C1CCCC1Sc2cnccc2Br 62a_100010138639_100000211823 [0,1,0,0,0,1|2,0,0]=4 4605 B15R2.359 O=C1CCCC1Sc2cnccc2Cl 62a_100000211823_100009995489 [0,1,0,0,0,1|2,0,0]=4 4606 B15R2.359 O=C1CCCC1Sc2cnccc2Cl 62a_100009995489_100000211823 [0,1,0,0,0,1|2,0,0]=4 4607 B15R2.359 O=C1CCCC1Sc2cnccc2F 62a_100000211823_100009820683 [0,1,0,0,0,1|2,0,0]=4 4608 B15R2.359 O=C1CCCC1Sc2cnccc2F 62a_100009820683_100000211823 [0,1,0,0,0,1|2,0,0]=4 4609 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cccnc2Br 62a_100010202626_200016002552 [0,1,0,0,0,1|2,0,0]=4 4610 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cccnc2Br 62a_200016002552_100010202626 [0,1,0,0,0,1|2,0,0]=4 4611 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cccnc2Cl 62a_100000036424_200016002552 [0,1,0,0,0,1|2,0,0]=4 4612 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cccnc2Cl 62a_200016002552_100000036424 [0,1,0,0,0,1|2,0,0]=4 4613 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cccnc2F 62a_100009816115_200016002552 [0,1,0,0,0,1|2,0,0]=4 4614 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cccnc2F 62a_200016002552_100009816115 [0,1,0,0,0,1|2,0,0]=4 4615 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cnccc2Br 62a_100010138639_200016002552 [0,1,0,0,0,1|2,0,0]=4 4616 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cnccc2Br 62a_200016002552_100010138639 [0,1,0,0,0,1|2,0,0]=4 4617 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cnccc2Cl 62a_100009995489_200016002552 [0,1,0,0,0,1|2,0,0]=4 4618 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cnccc2Cl 62a_200016002552_100009995489 [0,1,0,0,0,1|2,0,0]=4 4619 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cnccc2F 62a_100009820683_200016002552 [0,1,0,0,0,1|2,0,0]=4 4620 B15R2.359 O[C@@H]1CCC[C@H]1Sc2cnccc2F 62a_200016002552_100009820683 [0,1,0,0,0,1|2,0,0]=4 4621 B15R2.359 Oc1ncccc1S[C@@H]2CCC[C@H]2O 62a_100000760158_200016002552 [0,1,0,0,0,1|2,0,0]=4 4622 B15R2.359 Oc1ncccc1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000760158 [0,1,0,0,0,1|2,0,0]=4 4623 B15R2.359 [13CH3]N1CCCC1Cc2ccccc2Cl 2230a_100000744037_200025704644 [0,1,0,0,0,1|1,0,0]=3 4624 B15R2.359 [13CH3]N1CCCC1Cc2ccccc2Cl 269982a_100000744037_200025704644 [0,1,0,0,0,1|1,0,0]=3 4625 B15R2.359 [13CH3]N1CCCC1Cc2ccccc2Cl 34a_100000744037_200025704644 [0,1,0,0,0,1|1,0,0]=3 4626 B15R2.388 CC1(CCCN1Cc2cccnc2)C 2230a_100000761399_100000741622 [0,1,0,0,0,1|2,0,0]=4 4627 B15R2.388 CC1(CCCN1Cc2cccnc2)C 269982a_100000761399_100000733263 [0,1,0,0,0,1|2,0,0]=4 4628 B15R2.388 CC1(CCCN1Cc2cccnc2)C 270004a_100000761399_100000209961 [0,1,0,0,0,1|2,0,0]=4 4629 B15R2.388 CC1(CCCN1Cc2cccnc2)C 34a_100000761399_100000733263 [0,1,0,0,0,1|2,0,0]=4 4630 B15R2.388 C[C@]1(CCC[C@H]1Nc2cccnn2)O 27a_100015977457_100016991348 [0,1,0,0,0,1|2,0,0]=4 4631 B15R2.388 C[C@]1(CCC[C@H]1Nc2cnccn2)O 27a_100015977457_100000211759 [0,1,0,0,0,1|2,0,0]=4 4632 B15R2.388 FC1(CCCC1Oc2cccnc2)F 34a_100000210849_100119073726 [0,1,0,0,0,1|2,0,0]=4 4633 B15R2.388 FC1(CCCC1Sc2cccnc2)F 62a_100000210063_100119073726 [0,1,0,0,0,1|2,0,0]=4 4634 B15R2.388 FC1(CCCC1Sc2cccnc2)F 62a_100119073726_100000210063 [0,1,0,0,0,1|2,0,0]=4 4635 B15R2.1510 C[C@@H]1CCCN1Cc2ccc(nc2)Br 2230a_100015189458_100009831999 [0,1,0,0,0,1|2,0,0]=4 4636 B15R2.1510 C[C@@H]1CCCN1Cc2ccc(nc2)Br 269982a_100015189458_100009831999 [0,1,0,0,0,1|2,0,0]=4 4637 B15R2.1510 C[C@@H]1CCCN1Cc2ccc(nc2)Br 34a_100015189458_100009831999 [0,1,0,0,0,1|2,0,0]=4 4638 B15R2.1510 C[C@@H]1CCCN1Cc2ccc(nc2)Cl 2230a_100015189458_100000735431 [0,1,0,0,0,1|2,0,0]=4 4639 B15R2.1510 C[C@@H]1CCCN1Cc2ccc(nc2)Cl 269982a_100015189458_100000735431 [0,1,0,0,0,1|2,0,0]=4 4640 B15R2.1510 C[C@@H]1CCCN1Cc2ccc(nc2)Cl 34a_100015189458_100000735431 [0,1,0,0,0,1|2,0,0]=4 4641 B15R2.1510 C[C@@H]1CCCN1Cc2ccc(nc2)F 2230a_100015189458_100009820150 [0,1,0,0,0,1|2,0,0]=4 4642 B15R2.1510 C[C@@H]1CCCN1Cc2ccc(nc2)F 269982a_100015189458_100009820150 [0,1,0,0,0,1|2,0,0]=4 4643 B15R2.1510 C[C@@H]1CCCN1Cc2ccc(nc2)F 34a_100015189458_100000099788 [0,1,0,0,0,1|2,0,0]=4 4644 B15R2.1510 C[C@H]1CCCN1Cc2ccc(nc2)Br 2230a_100020605311_100009831999 [0,1,0,0,0,1|2,0,0]=4 4645 B15R2.1510 C[C@H]1CCCN1Cc2ccc(nc2)Br 269982a_100020605311_100009831999 [0,1,0,0,0,1|2,0,0]=4 4646 B15R2.1510 C[C@H]1CCCN1Cc2ccc(nc2)Cl 2230a_100020605311_100000735431 [0,1,0,0,0,1|2,0,0]=4 4647 B15R2.1510 C[C@H]1CCCN1Cc2ccc(nc2)Cl 269982a_100020605311_100000735431 [0,1,0,0,0,1|2,0,0]=4 4648 B15R2.1510 C[C@H]1CCCN1Cc2ccc(nc2)F 2230a_100020605311_100009820150 [0,1,0,0,0,1|2,0,0]=4 4649 B15R2.1510 C[C@H]1CCCN1Cc2ccc(nc2)F 269982a_100020605311_100009820150 [0,1,0,0,0,1|2,0,0]=4 4650 B15R2.1510 Cc1ccc(cc1)CC2CCCN2C 2230a_100000755604_200000210301 [0,1,0,0,0,1|1,0,0]=3 4651 B15R2.1510 Cc1ccc(cc1)CC2CCCN2C 269982a_100000755604_200000210301 [0,1,0,0,0,1|1,0,0]=3 4652 B15R2.1510 Cc1ccc(cc1)CC2CCCN2C 34a_100000755604_200000210301 [0,1,0,0,0,1|1,0,0]=3 4653 B15R2.1510 Cc1ccc(cc1)CC2CCCN2[13CH3] 2230a_100000755604_200025704644 [0,1,0,0,0,1|1,0,0]=3 4654 B15R2.1510 Cc1ccc(cc1)CC2CCCN2[13CH3] 269982a_100000755604_200025704644 [0,1,0,0,0,1|1,0,0]=3 4655 B15R2.1510 Cc1ccc(cc1)CC2CCCN2[13CH3] 34a_100000755604_200025704644 [0,1,0,0,0,1|1,0,0]=3 4656 B15R2.1510 Cc1ccc(cn1)CN2CCC[C@@H]2C 2230a_100020605311_100016987292 [0,1,0,0,0,1|2,0,0]=4 4657 B15R2.1510 Cc1ccc(cn1)CN2CCC[C@@H]2C 269982a_100020605311_100016987292 [0,1,0,0,0,1|2,0,0]=4 4658 B15R2.1510 Cc1ccc(cn1)CN2CCC[C@@H]2C 270004a_100020605311_100000743784 [0,1,0,0,0,1|2,0,0]=4 4659 B15R2.1510 Cc1ccc(cn1)CN2CCC[C@H]2C 2230a_100015189458_100016987292 [0,1,0,0,0,1|2,0,0]=4 4660 B15R2.1510 Cc1ccc(cn1)CN2CCC[C@H]2C 269982a_100015189458_100016987292 [0,1,0,0,0,1|2,0,0]=4 4661 B15R2.1510 Cc1ccc(cn1)CN2CCC[C@H]2C 270004a_100015189458_100000743784 [0,1,0,0,0,1|2,0,0]=4 4662 B15R2.1510 Cc1ccc(cn1)CN2CCC[C@H]2C 34a_100015189458_100016987292 [0,1,0,0,0,1|2,0,0]=4 4663 B15R2.1510 Cc1ccc(cn1)OC2CCCC2=O 34a_100000745506_100000709159 [0,1,0,0,0,1|2,0,0]=4 4664 B15R2.1510 Cc1ccc(cn1)OC2CCCC2=O 7a_100000745506_100000211823 [0,1,0,0,0,1|2,0,0]=4 4665 B15R2.1510 Cc1ccc(cn1)SC2CCCC2=O 62a_100000211823_100000751577 [0,1,0,0,0,1|2,0,0]=4 4666 B15R2.1510 Cc1ccc(cn1)SC2CCCC2=O 62a_100000751577_100000211823 [0,1,0,0,0,1|2,0,0]=4 4667 B15R2.1510 Cc1ccc(cn1)S[C@@H]2CCC[C@H]2O 62a_100000751577_200016002552 [0,1,0,0,0,1|2,0,0]=4 4668 B15R2.1510 Cc1ccc(cn1)S[C@@H]2CCC[C@H]2O 62a_200016002552_100000751577 [0,1,0,0,0,1|2,0,0]=4 4669 B15R2.1510 Nc1ccc(cn1)OC2CCCC2=O 34a_100015188713_100000709159 [0,1,0,0,0,1|2,0,0]=4 4670 B15R2.1510 Nc1ccc(cn1)OC2CCCC2=O 7a_100015188713_100000211823 [0,1,0,0,0,1|2,0,0]=4 4671 B15R2.1510 Nc1ccc(cn1)SC2CCCC2=O 62a_100000187370_100000211823 [0,1,0,0,0,1|2,0,0]=4 4672 B15R2.1510 Nc1ccc(cn1)SC2CCCC2=O 62a_100000211823_100000187370 [0,1,0,0,0,1|2,0,0]=4 4673 B15R2.1510 Nc1ccc(cn1)S[C@@H]2CCC[C@H]2O 62a_100000187370_200016002552 [0,1,0,0,0,1|2,0,0]=4 4674 B15R2.1510 Nc1ccc(cn1)S[C@@H]2CCC[C@H]2O 62a_200016002552_100000187370 [0,1,0,0,0,1|2,0,0]=4 4675 B15R2.1510 O=C1CCCC1Oc2ccc(nc2)Br 34a_100000685995_100000709159 [0,1,0,0,0,1|2,0,0]=4 4676 B15R2.1510 O=C1CCCC1Oc2ccc(nc2)Br 7a_100000685995_100000211823 [0,1,0,0,0,1|2,0,0]=4 4677 B15R2.1510 O=C1CCCC1Oc2ccc(nc2)Cl 34a_100000744096_100000709159 [0,1,0,0,0,1|2,0,0]=4 4678 B15R2.1510 O=C1CCCC1Oc2ccc(nc2)Cl 7a_100000744096_100000211823 [0,1,0,0,0,1|2,0,0]=4 4679 B15R2.1510 O=C1CCCC1Oc2ccc(nc2)F 34a_100000688820_100000709159 [0,1,0,0,0,1|2,0,0]=4 4680 B15R2.1510 O=C1CCCC1Oc2ccc(nc2)F 7a_100000688820_100000211823 [0,1,0,0,0,1|2,0,0]=4 4681 B15R2.1510 O=C1CCCC1Oc2ccc(nc2)I 34a_100000687607_100000709159 [0,1,0,0,0,1|2,0,0]=4 4682 B15R2.1510 O=C1CCCC1Oc2ccc(nc2)I 7a_100000687607_100000211823 [0,1,0,0,0,1|2,0,0]=4 4683 B15R2.1510 O=C1CCCC1Sc2ccc(nc2)Br 62a_100000211823_100009814638 [0,1,0,0,0,1|2,0,0]=4 4684 B15R2.1510 O=C1CCCC1Sc2ccc(nc2)Br 62a_100009814638_100000211823 [0,1,0,0,0,1|2,0,0]=4 4685 B15R2.1510 O=C1CCCC1Sc2ccc(nc2)Cl 62a_100000034144_100000211823 [0,1,0,0,0,1|2,0,0]=4 4686 B15R2.1510 O=C1CCCC1Sc2ccc(nc2)Cl 62a_100000211823_100000034144 [0,1,0,0,0,1|2,0,0]=4 4687 B15R2.1510 O=C1CCCC1Sc2ccc(nc2)F 62a_100000042367_100000211823 [0,1,0,0,0,1|2,0,0]=4 4688 B15R2.1510 O=C1CCCC1Sc2ccc(nc2)F 62a_100000211823_100000042367 [0,1,0,0,0,1|2,0,0]=4 4689 B15R2.1510 O[C@@H]1CCC[C@H]1Sc2ccc(nc2)Br 62a_100009814638_200016002552 [0,1,0,0,0,1|2,0,0]=4 4690 B15R2.1510 O[C@@H]1CCC[C@H]1Sc2ccc(nc2)Br 62a_200016002552_100009814638 [0,1,0,0,0,1|2,0,0]=4 4691 B15R2.1510 O[C@@H]1CCC[C@H]1Sc2ccc(nc2)Cl 62a_100000034144_200016002552 [0,1,0,0,0,1|2,0,0]=4 4692 B15R2.1510 O[C@@H]1CCC[C@H]1Sc2ccc(nc2)Cl 62a_200016002552_100000034144 [0,1,0,0,0,1|2,0,0]=4 4693 B15R2.1510 O[C@@H]1CCC[C@H]1Sc2ccc(nc2)F 62a_100000042367_200016002552 [0,1,0,0,0,1|2,0,0]=4 4694 B15R2.1510 O[C@@H]1CCC[C@H]1Sc2ccc(nc2)F 62a_200016002552_100000042367 [0,1,0,0,0,1|2,0,0]=4 4695 B15R2.22 CCN1CCCC1c2ccc(cc2)Br 2230a_100000766735_100000210202 [0,2,0,0,0,0|1,0,0]=3 4696 B15R2.22 CCN1CCCC1c2ccc(cc2)Br 269982a_100000766735_100000204670 [0,2,0,0,0,0|1,0,0]=3 4697 B15R2.22 CCN1CCCC1c2ccc(cc2)Br 34a_100000766735_100000210202 [0,2,0,0,0,0|1,0,0]=3 4698 B15R2.22 CCN1CCCC1c2ccc(cc2)C 2230a_100000736514_100000210202 [0,2,0,0,0,0|1,0,0]=3 4699 B15R2.22 CCN1CCCC1c2ccc(cc2)C 269982a_100000736514_100000204670 [0,2,0,0,0,0|1,0,0]=3 4700 B15R2.22 CCN1CCCC1c2ccc(cc2)C 34a_100000736514_100000210202 [0,2,0,0,0,0|1,0,0]=3 4701 B15R2.22 CCN1CCCC1c2ccc(cc2)Cl 2230a_100000736974_100000210202 [0,2,0,0,0,0|1,0,0]=3 4702 B15R2.22 CCN1CCCC1c2ccc(cc2)Cl 269982a_100000736974_100000204670 [0,2,0,0,0,0|1,0,0]=3 4703 B15R2.22 CCN1CCCC1c2ccc(cc2)Cl 34a_100000736974_100000210202 [0,2,0,0,0,0|1,0,0]=3 4704 B15R2.22 CCN1CCCC1c2ccc(cc2)F 2230a_100000243150_100000210202 [0,2,0,0,0,0|1,0,0]=3 4705 B15R2.22 CCN1CCCC1c2ccc(cc2)F 269982a_100000243150_100000204670 [0,2,0,0,0,0|1,0,0]=3 4706 B15R2.22 CCN1CCCC1c2ccc(cc2)F 34a_100000243150_100000210202 [0,2,0,0,0,0|1,0,0]=3 4707 B15R2.22 CCN1CCCC1c2ccc(cn2)Br 2230a_100000728117_100000210202 [0,2,0,0,0,0|2,0,0]=4 4708 B15R2.22 CCN1CCCC1c2ccc(cn2)Br 269982a_100000728117_100000204670 [0,2,0,0,0,0|2,0,0]=4 4709 B15R2.22 Cc1ccc(cc1)C2CCCN2CF 269982a_100000736514_100015361967 [0,2,0,0,0,0|1,0,0]=3 4710 B15R2.22 Cc1ccc(cc1)C2CCCN2CF 34a_100000736514_100015361967 [0,2,0,0,0,0|1,0,0]=3 4711 B15R2.22 FCN1CCCC1c2ccc(cc2)Br 269982a_100000766735_100015361967 [0,2,0,0,0,0|1,0,0]=3 4712 B15R2.22 FCN1CCCC1c2ccc(cc2)Br 34a_100000766735_100015361967 [0,2,0,0,0,0|1,0,0]=3 4713 B15R2.22 FCN1CCCC1c2ccc(cc2)Cl 269982a_100000736974_100015361967 [0,2,0,0,0,0|1,0,0]=3 4714 B15R2.22 FCN1CCCC1c2ccc(cc2)Cl 34a_100000736974_100015361967 [0,2,0,0,0,0|1,0,0]=3 4715 B15R2.22 FCN1CCCC1c2ccc(cc2)F 269982a_100000243150_100015361967 [0,2,0,0,0,0|1,0,0]=3 4716 B15R2.22 FCN1CCCC1c2ccc(cc2)F 34a_100000243150_100015361967 [0,2,0,0,0,0|1,0,0]=3 4717 B15R2.22 FCN1CCCC1c2ccc(cn2)Br 269982a_100000728117_100015361967 [0,2,0,0,0,0|2,0,0]=4 4718 B15R2.63 CC(=O)N1CCCC1c2ccccc2 11a_100000243309_100015343762 [0,2,0,0,0,0|1,0,0]=3 4719 B15R2.63 CC(=O)N1CCCC1c2ccccc2 1626a_100000243309_100015343762 [0,2,0,0,0,0|1,0,0]=3 4720 B15R2.63 CC(=O)N1CCCC1c2ccccc2 240690a_100000243309_100015343762 [0,2,0,0,0,0|1,0,0]=3 4721 B15R2.63 CC(=O)N1CCCC1c2ccccc2 527a_100000243309_100103153847 [0,2,0,0,0,0|1,0,0]=3 4722 B15R2.63 CC(=O)N1CCCC1c2ccccn2 11a_100000744244_100015343762 [0,2,0,0,0,0|2,0,0]=4 4723 B15R2.63 CC(=O)N1CCCC1c2ccccn2 1626a_100000744244_100015343762 [0,2,0,0,0,0|2,0,0]=4 4724 B15R2.63 CC(=O)N1CCCC1c2ccccn2 240690a_100000744244_100015343762 [0,2,0,0,0,0|2,0,0]=4 4725 B15R2.63 CC(=O)N1CCCC1c2ccccn2 527a_100000744244_100103153847 [0,2,0,0,0,0|2,0,0]=4 4726 B15R2.63 CC(=O)N1CCCC1c2cccnc2 11a_100000233489_100015343762 [0,2,0,0,0,0|0,0,0]=2 4727 B15R2.63 CC(=O)N1CCCC1c2cccnc2 240690a_100000233489_100015343762 [0,2,0,0,0,0|0,0,0]=2 4728 B15R2.63 CC(=O)N1CCCC1c2cccnc2 527a_100000233489_100103153847 [0,2,0,0,0,0|0,0,0]=2 4729 B15R2.63 CC(=O)N1CCCC1c2ccncc2 240690a_106446545576_100015343762 [0,2,0,0,0,0|2,0,0]=4 4730 B15R2.63 CC(=O)N1CCCC1c2ccncc2 527a_106446545576_100103153847 [0,2,0,0,0,0|2,0,0]=4 4731 B15R2.63 CC(=O)N1CCSC1c2ccccc2 11a_100000215944_100015343762 [0,2,0,0,0,0|2,0,0]=4 4732 B15R2.63 CC(=O)N1CCSC1c2ccccc2 240690a_100000215944_100015343762 [0,2,0,0,0,0|2,0,0]=4 4733 B15R2.63 CC(=O)N1CCSC1c2ccccc2 527a_100000215944_100103153847 [0,2,0,0,0,0|2,0,0]=4 4734 B15R2.63 CC(C)N1CCCC1c2ccccc2 2230a_100000243309_100000210206 [0,2,0,0,0,0|1,0,0]=3 4735 B15R2.63 CC(C)N1CCCC1c2ccccc2 269982a_100000243309_100000210206 [0,2,0,0,0,0|1,0,0]=3 4736 B15R2.63 CC(C)N1CCCC1c2ccccc2 34a_100000243309_100000210206 [0,2,0,0,0,0|1,0,0]=3 4737 B15R2.63 CC(C)N1CCCC1c2ccccn2 2230a_100000744244_100000210206 [0,2,0,0,0,0|2,0,0]=4 4738 B15R2.63 CC(C)N1CCCC1c2ccccn2 269982a_100000744244_100000210206 [0,2,0,0,0,0|2,0,0]=4 4739 B15R2.63 CC(C)N1CCCC1c2cccnc2 2230a_100000233489_100000210206 [0,2,0,0,0,0|0,0,0]=2 4740 B15R2.63 CC(C)N1CCCC1c2cccnc2 269982a_100000233489_100000210206 [0,2,0,0,0,0|0,0,0]=2 4741 B15R2.63 CC(C)N1CCCC1c2ccncc2 2230a_106446545576_100000210206 [0,2,0,0,0,0|2,0,0]=4 4742 B15R2.63 CC(C)N1CCCC1c2ccncc2 269982a_106446545576_100000210206 [0,2,0,0,0,0|2,0,0]=4 4743 B15R2.63 CC(C)N1CCSC1c2ccccc2 2230a_100000215944_100000210206 [0,2,0,0,0,0|2,0,0]=4 4744 B15R2.63 CC(C)N1CCSC1c2ccccc2 269982a_100000215944_100000210206 [0,2,0,0,0,0|2,0,0]=4 4745 B15R2.63 CC(C)N1CCSC1c2ccccc2 34a_100000215944_100000210206 [0,2,0,0,0,0|2,0,0]=4 4746 B15R2.63 CC(C)N1CCSC1c2ccccc2 7a_100000215944_100000210206 [0,2,0,0,0,0|2,0,0]=4 4747 B15R2.72 C#CCN1CCCC1c2ccccc2 2230a_100000243309_100000038162 [0,2,0,0,0,0|1,0,0]=3 4748 B15R2.72 C#CCN1CCCC1c2ccccc2 34a_100000243309_100000184674 [0,2,0,0,0,0|1,0,0]=3 4749 B15R2.72 C#CCN1CCCC1c2ccccn2 2230a_100000744244_100000038162 [0,2,0,0,0,0|2,0,0]=4 4750 B15R2.72 C#CCN1CCCC1c2cccnc2 2230a_100000233489_100000038162 [0,2,0,0,0,0|0,0,0]=2 4751 B15R2.72 C#CCN1CCCC1c2ccncc2 2230a_106446545576_100000038162 [0,2,0,0,0,0|2,0,0]=4 4752 B15R2.72 C#CCN1CCSC1c2ccccc2 2230a_100000215944_100000038162 [0,2,0,0,0,0|2,0,0]=4 4753 B15R2.72 C#CCN1CCSC1c2ccccc2 34a_100000215944_100000184674 [0,2,0,0,0,0|2,0,0]=4 4754 B15R2.72 C#CCN1CCSC1c2ccccc2 7a_100000215944_100000038162 [0,2,0,0,0,0|2,0,0]=4 4755 B15R2.72 C=CCN1CCCC1c2ccccc2 2230a_100000243309_100000210623 [0,2,0,0,0,0|1,0,0]=3 4756 B15R2.72 C=CCN1CCCC1c2ccccc2 269982a_100000243309_100000210623 [0,2,0,0,0,0|1,0,0]=3 4757 B15R2.72 C=CCN1CCCC1c2ccccc2 34a_100000243309_100015514636 [0,2,0,0,0,0|1,0,0]=3 4758 B15R2.72 C=CCN1CCCC1c2ccccn2 2230a_100000744244_100000210623 [0,2,0,0,0,0|2,0,0]=4 4759 B15R2.72 C=CCN1CCCC1c2ccccn2 269982a_100000744244_100000210623 [0,2,0,0,0,0|2,0,0]=4 4760 B15R2.72 C=CCN1CCCC1c2cccnc2 2230a_100000233489_100000210623 [0,2,0,0,0,0|0,0,0]=2 4761 B15R2.72 C=CCN1CCCC1c2cccnc2 269982a_100000233489_100000210623 [0,2,0,0,0,0|0,0,0]=2 4762 B15R2.72 C=CCN1CCCC1c2ccncc2 2230a_106446545576_100000210623 [0,2,0,0,0,0|2,0,0]=4 4763 B15R2.72 C=CCN1CCCC1c2ccncc2 269982a_106446545576_100000210623 [0,2,0,0,0,0|2,0,0]=4 4764 B15R2.72 C=CCN1CCSC1c2ccccc2 2230a_100000215944_100000210623 [0,2,0,0,0,0|2,0,0]=4 4765 B15R2.72 C=CCN1CCSC1c2ccccc2 269982a_100000215944_100000210623 [0,2,0,0,0,0|2,0,0]=4 4766 B15R2.72 C=CCN1CCSC1c2ccccc2 34a_100000215944_100015514636 [0,2,0,0,0,0|2,0,0]=4 4767 B15R2.72 C=CCN1CCSC1c2ccccc2 7a_100000215944_100015514636 [0,2,0,0,0,0|2,0,0]=4 4768 B15R2.72 CCCN1CCCC1c2ccccc2 2230a_100000243309_100000210303 [0,2,0,0,0,0|1,0,0]=3 4769 B15R2.72 CCCN1CCCC1c2ccccc2 269982a_100000243309_100000210303 [0,2,0,0,0,0|1,0,0]=3 4770 B15R2.72 CCCN1CCCC1c2ccccc2 34a_100000243309_100000210303 [0,2,0,0,0,0|1,0,0]=3 4771 B15R2.72 CCCN1CCCC1c2ccccn2 2230a_100000744244_100000210303 [0,2,0,0,0,0|2,0,0]=4 4772 B15R2.72 CCCN1CCCC1c2ccccn2 269982a_100000744244_100000210303 [0,2,0,0,0,0|2,0,0]=4 4773 B15R2.72 CCCN1CCCC1c2cccnc2 2230a_100000233489_100000210303 [0,2,0,0,0,0|0,0,0]=2 4774 B15R2.72 CCCN1CCCC1c2cccnc2 269982a_100000233489_100000210303 [0,2,0,0,0,0|0,0,0]=2 4775 B15R2.72 CCCN1CCCC1c2ccncc2 2230a_106446545576_100000210303 [0,2,0,0,0,0|2,0,0]=4 4776 B15R2.72 CCCN1CCCC1c2ccncc2 269982a_106446545576_100000210303 [0,2,0,0,0,0|2,0,0]=4 4777 B15R2.72 CCCN1CCSC1c2ccccc2 2230a_100000215944_100000210303 [0,2,0,0,0,0|2,0,0]=4 4778 B15R2.72 CCCN1CCSC1c2ccccc2 269982a_100000215944_100000210303 [0,2,0,0,0,0|2,0,0]=4 4779 B15R2.72 CCCN1CCSC1c2ccccc2 34a_100000215944_100000210303 [0,2,0,0,0,0|2,0,0]=4 4780 B15R2.72 CCCN1CCSC1c2ccccc2 7a_100000215944_100000210303 [0,2,0,0,0,0|2,0,0]=4 4781 B15R2.72 CCN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_100000210202 [0,2,0,0,0,0|2,0,0]=4 4782 B15R2.72 CCN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_100000210202 [0,2,0,0,0,0|2,0,0]=4 4783 B15R2.72 COCN1CCCC1c2ccccc2 2230a_100000243309_100000766300 [0,2,0,0,0,0|1,0,0]=3 4784 B15R2.72 COCN1CCCC1c2ccccc2 269982a_100000243309_100000766300 [0,2,0,0,0,0|1,0,0]=3 4785 B15R2.72 COCN1CCCC1c2ccccn2 2230a_100000744244_100000766300 [0,2,0,0,0,0|2,0,0]=4 4786 B15R2.72 COCN1CCCC1c2ccccn2 269982a_100000744244_100000766300 [0,2,0,0,0,0|2,0,0]=4 4787 B15R2.72 COCN1CCCC1c2cccnc2 2230a_100000233489_100000766300 [0,2,0,0,0,0|0,0,0]=2 4788 B15R2.72 COCN1CCCC1c2cccnc2 269982a_100000233489_100000766300 [0,2,0,0,0,0|0,0,0]=2 4789 B15R2.72 COCN1CCCC1c2ccncc2 2230a_106446545576_100000766300 [0,2,0,0,0,0|2,0,0]=4 4790 B15R2.72 COCN1CCCC1c2ccncc2 269982a_106446545576_100000766300 [0,2,0,0,0,0|2,0,0]=4 4791 B15R2.72 COCN1CCSC1c2ccccc2 2230a_100000215944_100000766300 [0,2,0,0,0,0|2,0,0]=4 4792 B15R2.72 COCN1CCSC1c2ccccc2 269982a_100000215944_100000766300 [0,2,0,0,0,0|2,0,0]=4 4793 B15R2.72 CSCN1CCCC1c2ccccc2 2230a_100000243309_100011218213 [0,2,0,0,0,0|1,0,0]=3 4794 B15R2.72 CSCN1CCCC1c2ccccc2 269982a_100000243309_100011218213 [0,2,0,0,0,0|1,0,0]=3 4795 B15R2.72 CSCN1CCCC1c2ccccc2 34a_100000243309_100011218213 [0,2,0,0,0,0|1,0,0]=3 4796 B15R2.72 CSCN1CCCC1c2ccccn2 2230a_100000744244_100011218213 [0,2,0,0,0,0|2,0,0]=4 4797 B15R2.72 CSCN1CCCC1c2ccccn2 269982a_100000744244_100011218213 [0,2,0,0,0,0|2,0,0]=4 4798 B15R2.72 CSCN1CCCC1c2cccnc2 2230a_100000233489_100011218213 [0,2,0,0,0,0|0,0,0]=2 4799 B15R2.72 CSCN1CCCC1c2cccnc2 269982a_100000233489_100011218213 [0,2,0,0,0,0|0,0,0]=2 4800 B15R2.72 CSCN1CCCC1c2ccncc2 2230a_106446545576_100011218213 [0,2,0,0,0,0|2,0,0]=4 4801 B15R2.72 CSCN1CCCC1c2ccncc2 269982a_106446545576_100011218213 [0,2,0,0,0,0|2,0,0]=4 4802 B15R2.72 CSCN1CCSC1c2ccccc2 2230a_100000215944_100011218213 [0,2,0,0,0,0|2,0,0]=4 4803 B15R2.72 CSCN1CCSC1c2ccccc2 269982a_100000215944_100011218213 [0,2,0,0,0,0|2,0,0]=4 4804 B15R2.72 CSCN1CCSC1c2ccccc2 34a_100000215944_100011218213 [0,2,0,0,0,0|2,0,0]=4 4805 B15R2.72 FCCN1CCCC1c2ccccc2 2230a_100000243309_100011217306 [0,2,0,0,0,0|1,0,0]=3 4806 B15R2.72 FCCN1CCCC1c2ccccc2 269982a_100000243309_100011217306 [0,2,0,0,0,0|1,0,0]=3 4807 B15R2.72 FCCN1CCCC1c2ccccc2 34a_100000243309_100011217306 [0,2,0,0,0,0|1,0,0]=3 4808 B15R2.72 FCCN1CCCC1c2ccccn2 2230a_100000744244_100011217306 [0,2,0,0,0,0|2,0,0]=4 4809 B15R2.72 FCCN1CCCC1c2ccccn2 269982a_100000744244_100011217306 [0,2,0,0,0,0|2,0,0]=4 4810 B15R2.72 FCCN1CCCC1c2cccnc2 2230a_100000233489_100011217306 [0,2,0,0,0,0|0,0,0]=2 4811 B15R2.72 FCCN1CCCC1c2cccnc2 269982a_100000233489_100011217306 [0,2,0,0,0,0|0,0,0]=2 4812 B15R2.72 FCCN1CCCC1c2ccncc2 2230a_106446545576_100011217306 [0,2,0,0,0,0|2,0,0]=4 4813 B15R2.72 FCCN1CCCC1c2ccncc2 269982a_106446545576_100011217306 [0,2,0,0,0,0|2,0,0]=4 4814 B15R2.72 FCCN1CCSC1c2ccccc2 2230a_100000215944_100011217306 [0,2,0,0,0,0|2,0,0]=4 4815 B15R2.72 FCCN1CCSC1c2ccccc2 269982a_100000215944_100011217306 [0,2,0,0,0,0|2,0,0]=4 4816 B15R2.72 FCCN1CCSC1c2ccccc2 34a_100000215944_100011217306 [0,2,0,0,0,0|2,0,0]=4 4817 B15R2.72 FCCN1CCSC1c2ccccc2 7a_100000215944_100011217306 [0,2,0,0,0,0|2,0,0]=4 4818 B15R2.72 FCN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_100015361967 [0,2,0,0,0,0|2,0,0]=4 4819 B15R2.72 N#CCN1CCCC1c2ccccc2 2230a_100000243309_100011215382 [0,2,0,0,0,0|1,0,0]=3 4820 B15R2.72 N#CCN1CCCC1c2ccccc2 269982a_100000243309_100011214920 [0,2,0,0,0,0|1,0,0]=3 4821 B15R2.72 N#CCN1CCCC1c2ccccn2 2230a_100000744244_100011215382 [0,2,0,0,0,0|2,0,0]=4 4822 B15R2.72 N#CCN1CCCC1c2ccccn2 269982a_100000744244_100011214920 [0,2,0,0,0,0|2,0,0]=4 4823 B15R2.72 N#CCN1CCCC1c2cccnc2 2230a_100000233489_100011215382 [0,2,0,0,0,0|0,0,0]=2 4824 B15R2.72 N#CCN1CCCC1c2cccnc2 269982a_100000233489_100011214920 [0,2,0,0,0,0|0,0,0]=2 4825 B15R2.72 N#CCN1CCCC1c2ccncc2 2230a_106446545576_100011215382 [0,2,0,0,0,0|2,0,0]=4 4826 B15R2.72 N#CCN1CCCC1c2ccncc2 269982a_106446545576_100011214920 [0,2,0,0,0,0|2,0,0]=4 4827 B15R2.72 N#CCN1CCSC1c2ccccc2 2230a_100000215944_100011215382 [0,2,0,0,0,0|2,0,0]=4 4828 B15R2.72 N#CCN1CCSC1c2ccccc2 269982a_100000215944_100011214920 [0,2,0,0,0,0|2,0,0]=4 4829 B15R2.72 N#CCN1CCSC1c2ccccc2 7a_100000215944_100011215382 [0,2,0,0,0,0|2,0,0]=4 4830 B15R2.72 O=CCN1CCCC1c2ccccc2 2230a_100000243309_200015260668 [0,2,0,0,0,0|1,0,0]=3 4831 B15R2.72 O=CCN1CCCC1c2ccccc2 269982a_100000243309_200015260668 [0,2,0,0,0,0|1,0,0]=3 4832 B15R2.72 O=CCN1CCCC1c2ccccc2 34a_100000243309_200009817547 [0,2,0,0,0,0|1,0,0]=3 4833 B15R2.72 O=CCN1CCCC1c2ccccn2 2230a_100000744244_200015260668 [0,2,0,0,0,0|2,0,0]=4 4834 B15R2.72 O=CCN1CCCC1c2ccccn2 269982a_100000744244_200015260668 [0,2,0,0,0,0|2,0,0]=4 4835 B15R2.72 O=CCN1CCCC1c2cccnc2 2230a_100000233489_200015260668 [0,2,0,0,0,0|0,0,0]=2 4836 B15R2.72 O=CCN1CCCC1c2cccnc2 269982a_100000233489_200015260668 [0,2,0,0,0,0|0,0,0]=2 4837 B15R2.72 O=CCN1CCCC1c2ccncc2 2230a_106446545576_200015260668 [0,2,0,0,0,0|2,0,0]=4 4838 B15R2.72 O=CCN1CCCC1c2ccncc2 269982a_106446545576_200015260668 [0,2,0,0,0,0|2,0,0]=4 4839 B15R2.72 O=CCN1CCSC1c2ccccc2 2230a_100000215944_200015260668 [0,2,0,0,0,0|2,0,0]=4 4840 B15R2.72 O=CCN1CCSC1c2ccccc2 269982a_100000215944_200015260668 [0,2,0,0,0,0|2,0,0]=4 4841 B15R2.72 O=CCN1CCSC1c2ccccc2 34a_100000215944_200009817547 [0,2,0,0,0,0|2,0,0]=4 4842 B15R2.72 O=CCN1CCSC1c2ccccc2 7a_100000215944_200015260668 [0,2,0,0,0,0|2,0,0]=4 4843 B15R2.72 OCCN1CCCC1c2ccccc2 2230a_100000243309_100000211926 [0,2,0,0,0,0|1,0,0]=3 4844 B15R2.72 OCCN1CCCC1c2ccccc2 269982a_100000243309_100000211926 [0,2,0,0,0,0|1,0,0]=3 4845 B15R2.72 OCCN1CCCC1c2ccccc2 34a_100000243309_100000211926 [0,2,0,0,0,0|1,0,0]=3 4846 B15R2.72 OCCN1CCCC1c2ccccn2 2230a_100000744244_100000211926 [0,2,0,0,0,0|2,0,0]=4 4847 B15R2.72 OCCN1CCCC1c2ccccn2 269982a_100000744244_100000211926 [0,2,0,0,0,0|2,0,0]=4 4848 B15R2.72 OCCN1CCCC1c2cccnc2 2230a_100000233489_100000211926 [0,2,0,0,0,0|0,0,0]=2 4849 B15R2.72 OCCN1CCCC1c2cccnc2 269982a_100000233489_100000211926 [0,2,0,0,0,0|0,0,0]=2 4850 B15R2.72 OCCN1CCCC1c2ccncc2 2230a_106446545576_100000211926 [0,2,0,0,0,0|2,0,0]=4 4851 B15R2.72 OCCN1CCCC1c2ccncc2 269982a_106446545576_100000211926 [0,2,0,0,0,0|2,0,0]=4 4852 B15R2.72 OCCN1CCSC1c2ccccc2 2230a_100000215944_100000211926 [0,2,0,0,0,0|2,0,0]=4 4853 B15R2.72 OCCN1CCSC1c2ccccc2 269982a_100000215944_100000211926 [0,2,0,0,0,0|2,0,0]=4 4854 B15R2.72 OCCN1CCSC1c2ccccc2 34a_100000215944_100000211926 [0,2,0,0,0,0|2,0,0]=4 4855 B15R2.72 OCCN1CCSC1c2ccccc2 7a_100000215944_100000211926 [0,2,0,0,0,0|2,0,0]=4 4856 B15R2.2188 CCN1CCCC1c2cccc(c2)Br 2230a_100015187783_100000210202 [0,2,0,0,0,0|1,0,0]=3 4857 B15R2.2188 CCN1CCCC1c2cccc(c2)Br 269982a_100015187783_100000204670 [0,2,0,0,0,0|1,0,0]=3 4858 B15R2.2188 CCN1CCCC1c2cccc(c2)Br 34a_100015187783_100000210202 [0,2,0,0,0,0|1,0,0]=3 4859 B15R2.2188 CCN1CCCC1c2cccc(c2)C 2230a_100000741861_100000210202 [0,2,0,0,0,0|1,0,0]=3 4860 B15R2.2188 CCN1CCCC1c2cccc(c2)C 269982a_100000741861_100000204670 [0,2,0,0,0,0|1,0,0]=3 4861 B15R2.2188 CCN1CCCC1c2cccc(c2)C 34a_100000741861_100000210202 [0,2,0,0,0,0|1,0,0]=3 4862 B15R2.2188 CCN1CCCC1c2cccc(c2)Cl 2230a_100000741648_100000210202 [0,2,0,0,0,0|1,0,0]=3 4863 B15R2.2188 CCN1CCCC1c2cccc(c2)Cl 269982a_100000741648_100000204670 [0,2,0,0,0,0|1,0,0]=3 4864 B15R2.2188 CCN1CCCC1c2cccc(c2)Cl 34a_100000741648_100000210202 [0,2,0,0,0,0|1,0,0]=3 4865 B15R2.2188 CCN1CCCC1c2cccc(c2)F 2230a_100000742875_100000210202 [0,2,0,0,0,0|1,0,0]=3 4866 B15R2.2188 CCN1CCCC1c2cccc(c2)F 269982a_100000742875_100000204670 [0,2,0,0,0,0|1,0,0]=3 4867 B15R2.2188 CCN1CCCC1c2cccc(c2)F 34a_100000742875_100000210202 [0,2,0,0,0,0|1,0,0]=3 4868 B15R2.2188 CCN1CCCC1c2cncc(c2)Br 2230a_100012340264_100000210202 [0,2,0,0,0,0|0,0,0]=2 4869 B15R2.2188 CCN1CCCC1c2cncc(c2)Br 269982a_100012340264_100000204670 [0,2,0,0,0,0|0,0,0]=2 4870 B15R2.2188 Cc1cccc(c1)C2CCCN2CF 269982a_100000741861_100015361967 [0,2,0,0,0,0|1,0,0]=3 4871 B15R2.2188 Cc1cccc(c1)C2CCCN2CF 34a_100000741861_100015361967 [0,2,0,0,0,0|1,0,0]=3 4872 B15R2.2188 FCN1CCCC1c2cccc(c2)Br 269982a_100015187783_100015361967 [0,2,0,0,0,0|1,0,0]=3 4873 B15R2.2188 FCN1CCCC1c2cccc(c2)Br 34a_100015187783_100015361967 [0,2,0,0,0,0|1,0,0]=3 4874 B15R2.2188 FCN1CCCC1c2cccc(c2)Cl 269982a_100000741648_100015361967 [0,2,0,0,0,0|1,0,0]=3 4875 B15R2.2188 FCN1CCCC1c2cccc(c2)Cl 34a_100000741648_100015361967 [0,2,0,0,0,0|1,0,0]=3 4876 B15R2.2188 FCN1CCCC1c2cccc(c2)F 269982a_100000742875_100015361967 [0,2,0,0,0,0|1,0,0]=3 4877 B15R2.2188 FCN1CCCC1c2cccc(c2)F 34a_100000742875_100015361967 [0,2,0,0,0,0|1,0,0]=3 4878 B15R2.2188 FCN1CCCC1c2cncc(c2)Br 269982a_100012340264_100015361967 [0,2,0,0,0,0|0,0,0]=2 4879 B15R2.2348 CCN1CCCC1c2ccccc2Br 2230a_100000686366_100000210202 [0,2,0,0,0,0|1,0,0]=3 4880 B15R2.2348 CCN1CCCC1c2ccccc2Br 269982a_100000686366_100000204670 [0,2,0,0,0,0|1,0,0]=3 4881 B15R2.2348 CCN1CCCC1c2ccccc2Br 34a_100000686366_100000210202 [0,2,0,0,0,0|1,0,0]=3 4882 B15R2.2348 CCN1CCCC1c2ccccc2C 2230a_100000742541_100000210202 [0,2,0,0,0,0|1,0,0]=3 4883 B15R2.2348 CCN1CCCC1c2ccccc2C 269982a_100000742541_100000204670 [0,2,0,0,0,0|1,0,0]=3 4884 B15R2.2348 CCN1CCCC1c2ccccc2C 34a_100000742541_100000210202 [0,2,0,0,0,0|1,0,0]=3 4885 B15R2.2348 CCN1CCCC1c2ccccc2Cl 2230a_100000742539_100000210202 [0,2,0,0,0,0|1,0,0]=3 4886 B15R2.2348 CCN1CCCC1c2ccccc2Cl 269982a_100000742539_100000204670 [0,2,0,0,0,0|1,0,0]=3 4887 B15R2.2348 CCN1CCCC1c2ccccc2Cl 34a_100000742539_100000210202 [0,2,0,0,0,0|1,0,0]=3 4888 B15R2.2348 CCN1CCCC1c2ccccc2F 2230a_100011206064_100000210202 [0,2,0,0,0,0|1,0,0]=3 4889 B15R2.2348 CCN1CCCC1c2ccccc2F 269982a_100011206064_100000204670 [0,2,0,0,0,0|1,0,0]=3 4890 B15R2.2348 CCN1CCCC1c2ccccc2F 34a_100011206064_100000210202 [0,2,0,0,0,0|1,0,0]=3 4891 B15R2.2348 Cc1ccccc1C2CCCN2CF 269982a_100000742541_100015361967 [0,2,0,0,0,0|1,0,0]=3 4892 B15R2.2348 Cc1ccccc1C2CCCN2CF 34a_100000742541_100015361967 [0,2,0,0,0,0|1,0,0]=3 4893 B15R2.2348 FCN1CCCC1c2ccccc2Br 269982a_100000686366_100015361967 [0,2,0,0,0,0|1,0,0]=3 4894 B15R2.2348 FCN1CCCC1c2ccccc2Br 34a_100000686366_100015361967 [0,2,0,0,0,0|1,0,0]=3 4895 B15R2.2348 FCN1CCCC1c2ccccc2Cl 269982a_100000742539_100015361967 [0,2,0,0,0,0|1,0,0]=3 4896 B15R2.2348 FCN1CCCC1c2ccccc2Cl 34a_100000742539_100015361967 [0,2,0,0,0,0|1,0,0]=3 4897 B15R2.2348 FCN1CCCC1c2ccccc2F 269982a_100011206064_100015361967 [0,2,0,0,0,0|1,0,0]=3 4898 B15R2.2348 FCN1CCCC1c2ccccc2F 34a_100011206064_100015361967 [0,2,0,0,0,0|1,0,0]=3 4899 B15R2.390 CN1CCCC1c2cc(ccc2F)F 2230a_100011222765_200000210301 [0,2,0,0,0,0|1,0,0]=3 4900 B15R2.390 CN1CCCC1c2cc(ccc2F)F 269982a_100011222765_200000210301 [0,2,0,0,0,0|1,0,0]=3 4901 B15R2.390 CN1CCCC1c2cc(ccc2F)F 34a_100011222765_200000210301 [0,2,0,0,0,0|1,0,0]=3 4902 B15R2.390 CN1CCC[C@@H]1c2cc(ccc2Cl)F 2230a_100015344939_200000210301 [0,2,0,0,0,0|1,0,0]=3 4903 B15R2.390 CN1CCC[C@@H]1c2cc(ccc2Cl)F 269982a_100015344939_200000210301 [0,2,0,0,0,0|1,0,0]=3 4904 B15R2.390 CN1CCC[C@@H]1c2cc(ccc2Cl)F 34a_100015344939_200000210301 [0,2,0,0,0,0|1,0,0]=3 4905 B15R2.390 C[C@@H]1CCCN1c2cc(cnc2F)Br 27a_100015189458_100010172738 [0,2,0,0,0,0|2,0,0]=4 4906 B15R2.390 C[C@@H]1CCCN1c2cc(cnc2F)Cl 27a_100015189458_100010188783 [0,2,0,0,0,0|2,0,0]=4 4907 B15R2.390 C[C@H]1CCCN1c2cc(cnc2F)Br 27a_100020605311_100010172738 [0,2,0,0,0,0|2,0,0]=4 4908 B15R2.390 C[C@H]1CCCN1c2cc(cnc2F)Cl 27a_100020605311_100010188783 [0,2,0,0,0,0|2,0,0]=4 4909 B15R2.390 Cc1cnc(c(c1)N2CCC[C@@H]2C)F 27a_100020605311_100009820679 [0,2,0,0,0,0|2,0,0]=4 4910 B15R2.390 Cc1cnc(c(c1)N2CCC[C@H]2C)F 27a_100015189458_100009820679 [0,2,0,0,0,0|2,0,0]=4 4911 B15R2.390 [13CH3]N1CCCC1c2cc(ccc2F)F 2230a_100011222765_200025704644 [0,2,0,0,0,0|1,0,0]=3 4912 B15R2.390 [13CH3]N1CCCC1c2cc(ccc2F)F 269982a_100011222765_200025704644 [0,2,0,0,0,0|1,0,0]=3 4913 B15R2.390 [13CH3]N1CCCC1c2cc(ccc2F)F 34a_100011222765_200025704644 [0,2,0,0,0,0|1,0,0]=3 4914 B15R2.390 [13CH3]N1CCC[C@@H]1c2cc(ccc2Cl)F 2230a_100015344939_200025704644 [0,2,0,0,0,0|1,0,0]=3 4915 B15R2.390 [13CH3]N1CCC[C@@H]1c2cc(ccc2Cl)F 269982a_100015344939_200025704644 [0,2,0,0,0,0|1,0,0]=3 4916 B15R2.390 [13CH3]N1CCC[C@@H]1c2cc(ccc2Cl)F 34a_100015344939_200025704644 [0,2,0,0,0,0|1,0,0]=3 4917 B15R2.520 Cc1ccc(cc1C)C2CCCN2C 2230a_103437849286_200000210301 [0,2,0,0,0,0|1,0,0]=3 4918 B15R2.520 Cc1ccc(cc1C)C2CCCN2C 269982a_103437849286_200000210301 [0,2,0,0,0,0|1,0,0]=3 4919 B15R2.520 Cc1ccc(cc1C)C2CCCN2C 34a_103437849286_200000210301 [0,2,0,0,0,0|1,0,0]=3 4920 B15R2.520 Cc1ccc(cc1C)C2CCCN2[13CH3] 2230a_103437849286_200025704644 [0,2,0,0,0,0|1,0,0]=3 4921 B15R2.520 Cc1ccc(cc1C)C2CCCN2[13CH3] 269982a_103437849286_200025704644 [0,2,0,0,0,0|1,0,0]=3 4922 B15R2.520 Cc1ccc(cc1C)C2CCCN2[13CH3] 34a_103437849286_200025704644 [0,2,0,0,0,0|1,0,0]=3 4923 B15R2.2268 COc1cccc(c1)C2CCCN2C 2230a_100020604935_200000210301 [0,2,0,0,0,0|1,0,0]=3 4924 B15R2.2268 COc1cccc(c1)C2CCCN2C 269982a_100020604935_200000210301 [0,2,0,0,0,0|1,0,0]=3 4925 B15R2.2268 COc1cccc(c1)C2CCCN2C 34a_100020604935_200000210301 [0,2,0,0,0,0|1,0,0]=3 4926 B15R2.2268 COc1cccc(c1)C2CCCN2[13CH3] 2230a_100020604935_200025704644 [0,2,0,0,0,0|1,0,0]=3 4927 B15R2.2268 COc1cccc(c1)C2CCCN2[13CH3] 269982a_100020604935_200025704644 [0,2,0,0,0,0|1,0,0]=3 4928 B15R2.2268 COc1cccc(c1)C2CCCN2[13CH3] 34a_100020604935_200025704644 [0,2,0,0,0,0|1,0,0]=3 4929 B15R2.47154 CN1CCC[C@H]1c2cc(cc(c2)F)F 2230a_100009818063_200000210301 [0,2,0,0,0,0|1,0,0]=3 4930 B15R2.47154 CN1CCC[C@H]1c2cc(cc(c2)F)F 269982a_100009818063_200000210301 [0,2,0,0,0,0|1,0,0]=3 4931 B15R2.47154 CN1CCC[C@H]1c2cc(cc(c2)F)F 34a_100009818063_200000210301 [0,2,0,0,0,0|1,0,0]=3 4932 B15R2.47154 Cc1cc(cc(c1)[C@@H]2CCCN2C)C 2230a_100009818034_200000210301 [0,2,0,0,0,0|1,0,0]=3 4933 B15R2.47154 Cc1cc(cc(c1)[C@@H]2CCCN2C)C 269982a_100009818034_200000210301 [0,2,0,0,0,0|1,0,0]=3 4934 B15R2.47154 Cc1cc(cc(c1)[C@@H]2CCCN2C)C 34a_100009818034_200000210301 [0,2,0,0,0,0|1,0,0]=3 4935 B15R2.47154 Cc1cc(cc(c1)[C@@H]2CCCN2[13CH3])C 2230a_100009818034_200025704644 [0,2,0,0,0,0|1,0,0]=3 4936 B15R2.47154 Cc1cc(cc(c1)[C@@H]2CCCN2[13CH3])C 269982a_100009818034_200025704644 [0,2,0,0,0,0|1,0,0]=3 4937 B15R2.47154 Cc1cc(cc(c1)[C@@H]2CCCN2[13CH3])C 34a_100009818034_200025704644 [0,2,0,0,0,0|1,0,0]=3 4938 B15R2.47154 [13CH3]N1CCC[C@H]1c2cc(cc(c2)F)F 2230a_100009818063_200025704644 [0,2,0,0,0,0|1,0,0]=3 4939 B15R2.47154 [13CH3]N1CCC[C@H]1c2cc(cc(c2)F)F 269982a_100009818063_200025704644 [0,2,0,0,0,0|1,0,0]=3 4940 B15R2.47154 [13CH3]N1CCC[C@H]1c2cc(cc(c2)F)F 34a_100009818063_200025704644 [0,2,0,0,0,0|1,0,0]=3 4941 B15R2.2302 COc1ccccc1C2CCCN2C 2230a_200000751146_200000210301 [0,2,0,0,0,0|1,0,0]=3 4942 B15R2.2302 COc1ccccc1C2CCCN2C 269982a_200000751146_200000210301 [0,2,0,0,0,0|1,0,0]=3 4943 B15R2.2302 COc1ccccc1C2CCCN2C 34a_200000751146_200000210301 [0,2,0,0,0,0|1,0,0]=3 4944 B15R2.2302 COc1ccccc1C2CCCN2[13CH3] 2230a_200000751146_200025704644 [0,2,0,0,0,0|1,0,0]=3 4945 B15R2.2302 COc1ccccc1C2CCCN2[13CH3] 269982a_200000751146_200025704644 [0,2,0,0,0,0|1,0,0]=3 4946 B15R2.2302 COc1ccccc1C2CCCN2[13CH3] 34a_200000751146_200025704644 [0,2,0,0,0,0|1,0,0]=3 4947 B15R2.2302 C[C@@H]1CCCN1c2cnccc2C#N 27a_100015189458_100000684818 [0,2,0,0,0,0|2,0,0]=4 4948 B15R2.2302 C[C@H]1CCCN1c2cnccc2C#N 27a_100020605311_100000684818 [0,2,0,0,0,0|2,0,0]=4 4949 B15R2.7536 CN1CCC[C@@H]1c2ccc(cc2Cl)F 2230a_100138412352_200000210301 [0,2,0,0,0,0|1,0,0]=3 4950 B15R2.7536 CN1CCC[C@@H]1c2ccc(cc2Cl)F 269982a_100138412352_200000210301 [0,2,0,0,0,0|1,0,0]=3 4951 B15R2.7536 CN1CCC[C@@H]1c2ccc(cc2Cl)F 34a_100138412352_200000210301 [0,2,0,0,0,0|1,0,0]=3 4952 B15R2.7536 CN1CCC[C@@H]1c2ccc(cc2F)F 2230a_100009818072_200000210301 [0,2,0,0,0,0|1,0,0]=3 4953 B15R2.7536 CN1CCC[C@@H]1c2ccc(cc2F)F 269982a_100009818072_200000210301 [0,2,0,0,0,0|1,0,0]=3 4954 B15R2.7536 CN1CCC[C@@H]1c2ccc(cc2F)F 34a_100009818072_200000210301 [0,2,0,0,0,0|1,0,0]=3 4955 B15R2.7536 Cc1ccc(c(c1)C)C2CCCN2C 2230a_100011206074_200000210301 [0,2,0,0,0,0|1,0,0]=3 4956 B15R2.7536 Cc1ccc(c(c1)C)C2CCCN2C 269982a_100011206074_200000210301 [0,2,0,0,0,0|1,0,0]=3 4957 B15R2.7536 Cc1ccc(c(c1)C)C2CCCN2C 34a_100011206074_200000210301 [0,2,0,0,0,0|1,0,0]=3 4958 B15R2.7536 Cc1ccc(c(c1)C)C2CCCN2[13CH3] 2230a_100011206074_200025704644 [0,2,0,0,0,0|1,0,0]=3 4959 B15R2.7536 Cc1ccc(c(c1)C)C2CCCN2[13CH3] 269982a_100011206074_200025704644 [0,2,0,0,0,0|1,0,0]=3 4960 B15R2.7536 Cc1ccc(c(c1)C)C2CCCN2[13CH3] 34a_100011206074_200025704644 [0,2,0,0,0,0|1,0,0]=3 4961 B15R2.7536 [13CH3]N1CCC[C@@H]1c2ccc(cc2Cl)F 2230a_100138412352_200025704644 [0,2,0,0,0,0|1,0,0]=3 4962 B15R2.7536 [13CH3]N1CCC[C@@H]1c2ccc(cc2Cl)F 269982a_100138412352_200025704644 [0,2,0,0,0,0|1,0,0]=3 4963 B15R2.7536 [13CH3]N1CCC[C@@H]1c2ccc(cc2Cl)F 34a_100138412352_200025704644 [0,2,0,0,0,0|1,0,0]=3 4964 B15R2.7536 [13CH3]N1CCC[C@@H]1c2ccc(cc2F)F 2230a_100009818072_200025704644 [0,2,0,0,0,0|1,0,0]=3 4965 B15R2.7536 [13CH3]N1CCC[C@@H]1c2ccc(cc2F)F 269982a_100009818072_200025704644 [0,2,0,0,0,0|1,0,0]=3 4966 B15R2.7536 [13CH3]N1CCC[C@@H]1c2ccc(cc2F)F 34a_100009818072_200025704644 [0,2,0,0,0,0|1,0,0]=3 4967 B15R2.7647 CN1CCCC1c2c(cccc2F)F 2230a_100102422786_200000210301 [0,2,0,0,0,0|1,0,0]=3 4968 B15R2.7647 CN1CCCC1c2c(cccc2F)F 269982a_100102422786_200000210301 [0,2,0,0,0,0|1,0,0]=3 4969 B15R2.7647 CN1CCCC1c2c(cccc2F)F 34a_100102422786_200000210301 [0,2,0,0,0,0|1,0,0]=3 4970 B15R2.7647 C[C@@H]1CCCN1c2c(ccnc2F)F 27a_100015189458_100009874084 [0,2,0,0,0,0|2,0,0]=4 4971 B15R2.7647 C[C@H]1CCCN1c2c(ccnc2F)F 27a_100020605311_100009874084 [0,2,0,0,0,0|2,0,0]=4 4972 B15R2.7647 Cc1ccnc(c1N2CCC[C@@H]2C)F 27a_100020605311_100009818256 [0,2,0,0,0,0|2,0,0]=4 4973 B15R2.7647 Cc1ccnc(c1N2CCC[C@H]2C)F 27a_100015189458_100009818256 [0,2,0,0,0,0|2,0,0]=4 4974 B15R2.7647 [13CH3]N1CCCC1c2c(cccc2F)F 2230a_100102422786_200025704644 [0,2,0,0,0,0|1,0,0]=3 4975 B15R2.7647 [13CH3]N1CCCC1c2c(cccc2F)F 269982a_100102422786_200025704644 [0,2,0,0,0,0|1,0,0]=3 4976 B15R2.7647 [13CH3]N1CCCC1c2c(cccc2F)F 34a_100102422786_200025704644 [0,2,0,0,0,0|1,0,0]=3 4977 B15R2.36 COc1ccc(cc1)C2CCCN2C 2230a_100000185041_200000210301 [0,2,0,0,0,0|1,0,0]=3 4978 B15R2.36 COc1ccc(cc1)C2CCCN2C 269982a_100000185041_200000210301 [0,2,0,0,0,0|1,0,0]=3 4979 B15R2.36 COc1ccc(cc1)C2CCCN2C 34a_100000185041_200000210301 [0,2,0,0,0,0|1,0,0]=3 4980 B15R2.36 COc1ccc(cc1)C2CCCN2[13CH3] 2230a_100000185041_200025704644 [0,2,0,0,0,0|1,0,0]=3 4981 B15R2.36 COc1ccc(cc1)C2CCCN2[13CH3] 269982a_100000185041_200025704644 [0,2,0,0,0,0|1,0,0]=3 4982 B15R2.36 COc1ccc(cc1)C2CCCN2[13CH3] 34a_100000185041_200025704644 [0,2,0,0,0,0|1,0,0]=3 4983 B13R2.3 C1=C(CCCC1)c2cccnc2 271570a_100000062251_100000752921 [0,0,1,1,0,0|1,0,1]=4 4984 B13R2.453 CCNC1(CC1)c2cccnc2 2230a_100020592340_100000210202 [0,0,1,1,0,0|2,0,0]=4 4985 B13R2.679 CNC(c1ccccc1)C2CC2 2230a_100000735078_200000210301 [0,0,1,1,0,0|1,0,0]=3 4986 B13R2.679 CNC(c1ccccc1)C2CC2 269862a_106832991636_100011218604 [0,0,1,1,0,0|1,0,0]=3 4987 B13R2.679 CNC(c1ccccc1)C2CC2 34a_100000735078_200000210301 [0,0,1,1,0,0|1,0,0]=3 4988 B13R2.679 CNC(c1ccccn1)C2CC2 2230a_100000238667_200000210301 [0,0,1,1,0,0|2,0,0]=4 4989 B13R2.679 CNC(c1ccccn1)C2CC2 269862a_106832991636_114849113519 [0,0,1,1,0,0|2,0,0]=4 4990 B13R2.679 CNC(c1ccccn1)C2CC2 34a_100000238667_200000210301 [0,0,1,1,0,0|2,0,0]=4 4991 B13R2.679 CNC(c1cccnc1)C2CC2 2230a_100000238668_200000210301 [0,0,1,1,0,0|0,0,0]=2 4992 B13R2.679 CNC(c1cccnc1)C2CC2 269862a_106832991636_100011376195 [0,0,1,1,0,0|0,0,0]=2 4993 B13R2.679 CNC(c1ccncc1)C2CC2 2230a_100012004521_200000210301 [0,0,1,1,0,0|2,0,0]=4 4994 B13R2.679 CNC(c1ccncc1)C2CC2 269862a_106832991636_200012087086 [0,0,1,1,0,0|2,0,0]=4 4995 B13R2.679 COC(c1ccccc1)C2CC2 34a_100011215866_200000210301 [0,0,1,1,0,0|2,0,0]=4 4996 B13R2.679 COC(c1ccccc1)C2CC2 7a_100011215866_200000210301 [0,0,1,1,0,0|2,0,0]=4 4997 B13R2.679 COC(c1cccnc1)C2CC2 34a_100011376212_200000210301 [0,0,1,1,0,0|1,0,0]=3 4998 B13R2.679 COC(c1cccnc1)C2CC2 7a_100011376212_200000210301 [0,0,1,1,0,0|1,0,0]=3 4999 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 2230a_100000735078_200025704644 [0,0,1,1,0,0|1,0,0]=3 5000 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 34a_100000735078_200025704644 [0,0,1,1,0,0|1,0,0]=3 5001 B13R2.679 [13CH3]NC(c1ccccn1)C2CC2 2230a_100000238667_200025704644 [0,0,1,1,0,0|2,0,0]=4 5002 B13R2.679 [13CH3]NC(c1ccccn1)C2CC2 34a_100000238667_200025704644 [0,0,1,1,0,0|2,0,0]=4 5003 B13R2.679 [13CH3]NC(c1cccnc1)C2CC2 2230a_100000238668_200025704644 [0,0,1,1,0,0|0,0,0]=2 5004 B13R2.679 [13CH3]NC(c1ccncc1)C2CC2 2230a_100012004521_200025704644 [0,0,1,1,0,0|2,0,0]=4 5005 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 34a_100011215866_200025704644 [0,0,1,1,0,0|2,0,0]=4 5006 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 7a_100011215866_200025704644 [0,0,1,1,0,0|2,0,0]=4 5007 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 34a_100011376212_200025704644 [0,0,1,1,0,0|1,0,0]=3 5008 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 7a_100011376212_200025704644 [0,0,1,1,0,0|1,0,0]=3 5009 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,0,1,1,0,0|1,0,0]=3 5010 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,0,1,1,0,0|0,0,0]=2 5011 B13R2.1613 CNC1CCCc2c1ccnc2 2230a_100020634316_200000210301 [0,0,1,1,0,0|2,0,0]=4 5012 B13R2.1613 CNC1CCCc2c1ccnc2 269862a_106832991636_100000087567 [0,0,1,1,0,0|2,0,0]=4 5013 B13R2.1613 CNC1CCCc2c1cncc2 269862a_106832991636_100016991936 [0,0,1,1,0,0|0,0,0]=2 5014 B13R2.1613 CNC1CCCc2c1nccc2 2230a_100011259139_200000210301 [0,0,1,1,0,0|2,0,0]=4 5015 B13R2.1613 CNC1CCCc2c1nccc2 269862a_106832991636_100000067617 [0,0,1,1,0,0|2,0,0]=4 5016 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,0,1,1,0,0|2,0,0]=4 5017 B13R2.1613 CNC1CCSc2c1cccc2 269862a_106832991636_100000183853 [0,0,1,1,0,0|2,0,0]=4 5018 B13R2.1613 CNC1COCc2c1cccc2 269862a_106832991636_100000117393 [0,0,1,1,0,0|2,0,0]=4 5019 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,0,1,1,0,0|1,0,0]=3 5020 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,0,1,1,0,0|2,0,0]=4 5021 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,0,1,1,0,0|2,0,0]=4 5022 B13R2.1613 [13CH3]NC1CCCc2c1ccnc2 2230a_100020634316_200025704644 [0,0,1,1,0,0|2,0,0]=4 5023 B13R2.1613 [13CH3]NC1CCCc2c1nccc2 2230a_100011259139_200025704644 [0,0,1,1,0,0|2,0,0]=4 5024 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,0,1,1,0,0|2,0,0]=4 5025 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,0,1,1,0,0|1,0,0]=3 5026 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,0,1,1,0,0|2,0,0]=4 5027 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,0,1,1,0,0|2,0,0]=4 5028 B13R2.2539 CNC1(CCC1)c2ccccc2 2230a_100000734848_200000210301 [0,0,1,1,0,0|1,0,0]=3 5029 B13R2.2539 [13CH3]NC1(CCC1)c2ccccc2 2230a_100000734848_200025704644 [0,0,1,1,0,0|1,0,0]=3 5030 B13R2.2931 CNC1CC(c2c1cccc2)C 269862a_106832991636_100000750356 [0,0,1,1,0,0|1,0,0]=3 5031 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,0,1,1,0,0|2,0,0]=4 5032 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,0,1,1,0,0|2,0,0]=4 5033 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,0,1,1,0,0|2,0,0]=4 5034 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,0,1,1,0,0|2,0,0]=4 5035 B13R2.27 CC1CCN1Cc2cccnc2 269982a_100000755817_100000733263 [0,0,1,1,0,0|2,0,0]=4 5036 B13R2.27 CC1CCN1Cc2cccnc2 34a_100000755817_100000733263 [0,0,1,1,0,0|2,0,0]=4 5037 B13R2.64 c1cncc(c1)CN2CCCC2 2230a_100000188435_100000741622 [0,0,1,1,0,0|2,0,0]=4 5038 B13R2.64 c1cncc(c1)CN2CCCC2 269982a_100000188435_100000733263 [0,0,1,1,0,0|2,0,0]=4 5039 B13R2.64 c1cncc(c1)CN2CCCC2 270004a_100000188435_100000209961 [0,0,1,1,0,0|2,0,0]=4 5040 B13R2.64 c1cncc(c1)CN2CCSC2 2230a_100011215254_100000741622 [0,0,1,1,0,0|2,0,0]=4 5041 B13R2.64 c1cncc(c1)CN2CCSC2 269982a_100011215254_100000733263 [0,0,1,1,0,0|2,0,0]=4 5042 B13R2.64 c1cncc(c1)CN2CCSC2 270004a_100011215254_100000209961 [0,0,1,1,0,0|2,0,0]=4 5043 B13R2.64 c1cncc(c1)OC2CCCC2 34a_100000210849_100000179811 [0,0,1,1,0,0|2,0,0]=4 5044 B13R2.64 c1cncc(c1)OC2CCCC2 7a_100000210849_100000179811 [0,0,1,1,0,0|2,0,0]=4 5045 B13R2.64 c1cncc(c1)OC2CCOC2 34a_100000210849_100000690089 [0,0,1,1,0,0|2,0,0]=4 5046 B13R2.64 c1cncc(c1)OC2CCOC2 7a_100000210849_100000731011 [0,0,1,1,0,0|2,0,0]=4 5047 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100000210063_100000179811 [0,0,1,1,0,0|2,0,0]=4 5048 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100011217020_100000210063 [0,0,1,1,0,0|2,0,0]=4 5049 B13R2.64 c1cncc(c1)SC2CCOC2 62a_100000210063_100000690089 [0,0,1,1,0,0|2,0,0]=4 5050 B13R2.2382 c1cncc(c1)CCOC2CC2 34a_100011217484_100000211595 [0,0,1,1,0,0|2,0,0]=4 5051 B13R2.2382 c1cncc(c1)CCSC2CC2 62a_200011713674_100000211595 [0,0,1,1,0,0|2,0,0]=4 5052 B13R2.2382 c1cncc(c1)CNCC2CC2 207a_100000735609_100000209961 [0,0,1,1,0,0|2,0,0]=4 5053 B13R2.2382 c1cncc(c1)CNCC2CC2 2230a_100000735609_100000741622 [0,0,1,1,0,0|2,0,0]=4 5054 B13R2.2382 c1cncc(c1)CNCC2CC2 269862a_100000210453_100000741477 [0,0,1,1,0,0|2,0,0]=4 5055 B13R2.2382 c1cncc(c1)CNCC2CC2 270004a_100000735609_100000209961 [0,0,1,1,0,0|2,0,0]=4 5056 B13R2.2382 c1cncc(c1)CNCC2CC2 34a_100000735609_100000733263 [0,0,1,1,0,0|2,0,0]=4 5057 B13R2.2382 c1cncc(c1)COCC2CC2 34a_100000211283_100000733263 [0,0,1,1,0,0|2,0,0]=4 5058 B13R2.2382 c1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100000733263 [0,0,1,1,0,0|2,0,0]=4 5059 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000741622_100000742324 [0,0,1,1,0,0|2,0,0]=4 5060 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000756562_100000741622 [0,0,1,1,0,0|2,0,0]=4 5061 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_100000741622_102125554688 [0,0,1,1,0,0|2,0,0]=4 5062 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_102125554688_100000741622 [0,0,1,1,0,0|2,0,0]=4 5063 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000031435_100000741622 [0,0,1,1,0,0|2,0,0]=4 5064 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000741622_100000031435 [0,0,1,1,0,0|2,0,0]=4 5065 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000741622_100000745022 [0,0,1,1,0,0|2,0,0]=4 5066 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100000741622 [0,0,1,1,0,0|2,0,0]=4 5067 B13R2.2382 c1cncc(c1)OCCC2CC2 34a_100000210849_100000694398 [0,0,1,1,0,0|2,0,0]=4 5068 B13R2.2382 c1cncc(c1)OCCC2CC2 7a_100000210849_100000764125 [0,0,1,1,0,0|2,0,0]=4 5069 B13R2.2382 c1cncc(c1)OCCC2CO2 34a_100000210849_100000732470 [0,0,1,1,0,0|2,0,0]=4 5070 B13R2.2382 c1cncc(c1)OCCC2CO2 7a_100000210849_100000732470 [0,0,1,1,0,0|2,0,0]=4 5071 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000210063_100000764125 [0,0,1,1,0,0|2,0,0]=4 5072 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000764125_100000210063 [0,0,1,1,0,0|2,0,0]=4 5073 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000210063_100000732470 [0,0,1,1,0,0|2,0,0]=4 5074 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000732470_100000210063 [0,0,1,1,0,0|2,0,0]=4 5075 B13R2.2383 c1cncc(c1)CCN2CCC2 269982a_100000754969_200011713674 [0,0,1,1,0,0|2,0,0]=4 5076 B13R2.2383 c1cncc(c1)CNC2CCC2 2230a_100000749019_100000741622 [0,0,1,1,0,0|2,0,0]=4 5077 B13R2.2383 c1cncc(c1)CNC2CCC2 270004a_100000210453_100000241760 [0,0,1,1,0,0|2,0,0]=4 5078 B13R2.2383 c1cncc(c1)CNC2CCC2 34a_100000749019_100000733263 [0,0,1,1,0,0|2,0,0]=4 5079 B13R2.2383 c1cncc(c1)CNC2COC2 207a_100016991112_100000209961 [0,0,1,1,0,0|2,0,0]=4 5080 B13R2.2383 c1cncc(c1)CNC2COC2 2230a_100016991112_100000741622 [0,0,1,1,0,0|2,0,0]=4 5081 B13R2.2383 c1cncc(c1)CNC2COC2 270004a_100016991112_100000209961 [0,0,1,1,0,0|2,0,0]=4 5082 B13R2.2383 c1cncc(c1)CNC2CSC2 207a_100016994217_100000209961 [0,0,1,1,0,0|2,0,0]=4 5083 B13R2.2383 c1cncc(c1)CNC2CSC2 270004a_100016994217_100000209961 [0,0,1,1,0,0|2,0,0]=4 5084 B13R2.2383 c1cncc(c1)COC2CCC2 34a_100000748187_100000733263 [0,0,1,1,0,0|2,0,0]=4 5085 B13R2.2383 c1cncc(c1)COC2CSC2 7a_100000072292_100000741622 [0,0,1,1,0,0|2,0,0]=4 5086 B13R2.2383 c1cncc(c1)CSC2CCC2 62a_100000741622_100000749161 [0,0,1,1,0,0|2,0,0]=4 5087 B13R2.2383 c1cncc(c1)CSC2COC2 62a_100000741622_100009818527 [0,0,1,1,0,0|2,0,0]=4 5088 B13R2.2383 c1cncc(c1)OCC2CCC2 34a_100000210849_100000763275 [0,0,1,1,0,0|2,0,0]=4 5089 B13R2.2383 c1cncc(c1)OCC2CCC2 7a_100000210849_100000763275 [0,0,1,1,0,0|2,0,0]=4 5090 B13R2.2383 c1cncc(c1)OCC2COC2 34a_100000210849_100010264016 [0,0,1,1,0,0|2,0,0]=4 5091 B13R2.2383 c1cncc(c1)OCC2COC2 7a_100000210849_100010264016 [0,0,1,1,0,0|2,0,0]=4 5092 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000210063_100000763275 [0,0,1,1,0,0|2,0,0]=4 5093 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000763275_100000210063 [0,0,1,1,0,0|2,0,0]=4 5094 B13R2.2383 c1cncc(c1)SCC2COC2 62a_100000210063_100010264016 [0,0,1,1,0,0|2,0,0]=4 5095 B13R2.2383 c1cncc(c1)SCC2COC2 62a_100010264016_100000210063 [0,0,1,1,0,0|2,0,0]=4 5096 B13R2.26 C#CCN1Cc2ccncc2C1 2230a_100000730608_100000038162 [0,0,1,1,0,0|0,0,2]=4 5097 B13R2.26 C=CCN1Cc2cccnc2C1 269982a_100000726175_100000210623 [0,0,1,1,0,0|0,0,2]=4 5098 B13R2.26 C=CCN1Cc2ccncc2C1 2230a_100000730608_100000210623 [0,0,1,1,0,0|0,0,2]=4 5099 B13R2.26 C=CCN1Cc2ccncc2C1 269982a_100000730608_100000210623 [0,0,1,1,0,0|0,0,2]=4 5100 B13R2.26 CCCN1Cc2ccccc2C1 2230a_100000752595_100000210303 [0,0,1,1,0,0|1,0,0]=3 5101 B13R2.26 CCCN1Cc2ccccc2C1 269982a_100000752595_100000210303 [0,0,1,1,0,0|1,0,0]=3 5102 B13R2.26 CCCN1Cc2ccccc2C1 34a_100000752595_100000210303 [0,0,1,1,0,0|1,0,0]=3 5103 B13R2.26 CCCN1Cc2cccnc2C1 269982a_100000726175_100000210303 [0,0,1,1,0,0|0,0,0]=2 5104 B13R2.26 CCCN1Cc2ccncc2C1 2230a_100000730608_100000210303 [0,0,1,1,0,0|0,0,0]=2 5105 B13R2.26 CCCN1Cc2ccncc2C1 269982a_100000730608_100000210303 [0,0,1,1,0,0|0,0,0]=2 5106 B13R2.26 CCCN1Cc2cncnc2C1 269982a_100015200256_100000210303 [0,0,1,1,0,0|1,0,0]=3 5107 B13R2.26 COCN1Cc2ccccc2C1 2230a_100000752595_100000766300 [0,0,1,1,0,0|2,0,0]=4 5108 B13R2.26 COCN1Cc2ccccc2C1 269982a_100000752595_100000766300 [0,0,1,1,0,0|2,0,0]=4 5109 B13R2.26 COCN1Cc2cccnc2C1 269982a_100000726175_100000766300 [0,0,1,1,0,0|1,0,0]=3 5110 B13R2.26 COCN1Cc2ccncc2C1 2230a_100000730608_100000766300 [0,0,1,1,0,0|1,0,0]=3 5111 B13R2.26 COCN1Cc2ccncc2C1 269982a_100000730608_100000766300 [0,0,1,1,0,0|1,0,0]=3 5112 B13R2.26 COCN1Cc2cncnc2C1 269982a_100015200256_100000766300 [0,0,1,1,0,0|2,0,0]=4 5113 B13R2.26 CSCN1Cc2ccccc2C1 2230a_100000752595_100011218213 [0,0,1,1,0,0|2,0,0]=4 5114 B13R2.26 CSCN1Cc2ccccc2C1 269982a_100000752595_100011218213 [0,0,1,1,0,0|2,0,0]=4 5115 B13R2.26 CSCN1Cc2ccccc2C1 34a_100000752595_100011218213 [0,0,1,1,0,0|2,0,0]=4 5116 B13R2.26 CSCN1Cc2cccnc2C1 269982a_100000726175_100011218213 [0,0,1,1,0,0|1,0,0]=3 5117 B13R2.26 CSCN1Cc2ccncc2C1 2230a_100000730608_100011218213 [0,0,1,1,0,0|1,0,0]=3 5118 B13R2.26 CSCN1Cc2ccncc2C1 269982a_100000730608_100011218213 [0,0,1,1,0,0|1,0,0]=3 5119 B13R2.26 CSCN1Cc2cncnc2C1 269982a_100015200256_100011218213 [0,0,1,1,0,0|2,0,0]=4 5120 B13R2.26 FCCN1Cc2ccccc2C1 2230a_100000752595_100011217306 [0,0,1,1,0,0|2,0,0]=4 5121 B13R2.26 FCCN1Cc2ccccc2C1 269982a_100000752595_100011217306 [0,0,1,1,0,0|2,0,0]=4 5122 B13R2.26 FCCN1Cc2ccccc2C1 34a_100000752595_100011217306 [0,0,1,1,0,0|2,0,0]=4 5123 B13R2.26 FCCN1Cc2cccnc2C1 269982a_100000726175_100011217306 [0,0,1,1,0,0|1,0,0]=3 5124 B13R2.26 FCCN1Cc2ccncc2C1 2230a_100000730608_100011217306 [0,0,1,1,0,0|1,0,0]=3 5125 B13R2.26 FCCN1Cc2ccncc2C1 269982a_100000730608_100011217306 [0,0,1,1,0,0|1,0,0]=3 5126 B13R2.26 FCCN1Cc2cncnc2C1 269982a_100015200256_100011217306 [0,0,1,1,0,0|2,0,0]=4 5127 B13R2.26 N#CCN1Cc2cccnc2C1 269982a_100000726175_100011214920 [0,0,1,1,0,0|1,0,1]=4 5128 B13R2.26 N#CCN1Cc2ccncc2C1 2230a_100000730608_100011215382 [0,0,1,1,0,0|1,0,1]=4 5129 B13R2.26 N#CCN1Cc2ccncc2C1 269982a_100000730608_100011214920 [0,0,1,1,0,0|1,0,1]=4 5130 B13R2.26 O=CCN1Cc2cccnc2C1 269982a_100000726175_200015260668 [0,0,1,1,0,0|1,0,1]=4 5131 B13R2.26 O=CCN1Cc2ccncc2C1 2230a_100000730608_200015260668 [0,0,1,1,0,0|1,0,1]=4 5132 B13R2.26 O=CCN1Cc2ccncc2C1 269982a_100000730608_200015260668 [0,0,1,1,0,0|1,0,1]=4 5133 B13R2.26 OCCN1Cc2ccccc2C1 2230a_100000752595_100000211926 [0,0,1,1,0,0|2,0,0]=4 5134 B13R2.26 OCCN1Cc2ccccc2C1 269982a_100000752595_100000211926 [0,0,1,1,0,0|2,0,0]=4 5135 B13R2.26 OCCN1Cc2ccccc2C1 34a_100000752595_100000211926 [0,0,1,1,0,0|2,0,0]=4 5136 B13R2.26 OCCN1Cc2cccnc2C1 269982a_100000726175_100000211926 [0,0,1,1,0,0|1,0,0]=3 5137 B13R2.26 OCCN1Cc2ccncc2C1 2230a_100000730608_100000211926 [0,0,1,1,0,0|1,0,0]=3 5138 B13R2.26 OCCN1Cc2ccncc2C1 269982a_100000730608_100000211926 [0,0,1,1,0,0|1,0,0]=3 5139 B13R2.26 OCCN1Cc2cncnc2C1 269982a_100015200256_100000211926 [0,0,1,1,0,0|2,0,0]=4 5140 B13R2.31 CC1CN(C1)Cc2ccccc2 2230a_100000702820_100015291786 [0,0,1,1,0,0|1,0,0]=3 5141 B13R2.31 CC1CN(C1)Cc2ccccc2 269982a_100000702820_100000211182 [0,0,1,1,0,0|1,0,0]=3 5142 B13R2.31 CC1CN(C1)Cc2ccccc2 270004a_100000702820_100015611070 [0,0,1,1,0,0|1,0,0]=3 5143 B13R2.31 CC1CN(C1)Cc2ccccc2 34a_100000702820_100015291786 [0,0,1,1,0,0|1,0,0]=3 5144 B13R2.31 CC1CN(C1)Cc2ccccn2 2230a_100000702820_100000721315 [0,0,1,1,0,0|2,0,0]=4 5145 B13R2.31 CC1CN(C1)Cc2ccccn2 269982a_100000702820_100000721315 [0,0,1,1,0,0|2,0,0]=4 5146 B13R2.31 CC1CN(C1)Cc2ccccn2 270004a_100000702820_100000209966 [0,0,1,1,0,0|2,0,0]=4 5147 B13R2.31 CC1CN(C1)Cc2ccccn2 34a_100000702820_100000721315 [0,0,1,1,0,0|2,0,0]=4 5148 B13R2.31 CC1CN(C1)Cc2cccnc2 2230a_100000702820_100000741622 [0,0,1,1,0,0|0,0,0]=2 5149 B13R2.31 CC1CN(C1)Cc2cccnc2 269982a_100000702820_100000733263 [0,0,1,1,0,0|0,0,0]=2 5150 B13R2.31 CC1CN(C1)Cc2cccnc2 270004a_100000702820_100000209961 [0,0,1,1,0,0|0,0,0]=2 5151 B13R2.31 CC1CN(C1)Cc2cccnc2 34a_100000702820_100000733263 [0,0,1,1,0,0|0,0,0]=2 5152 B13R2.31 CC1CN(C1)Cc2cccnn2 2230a_100000702820_100016990269 [0,0,1,1,0,0|1,0,0]=3 5153 B13R2.31 CC1CN(C1)Cc2cccnn2 34a_100000702820_100016990269 [0,0,1,1,0,0|1,0,0]=3 5154 B13R2.31 CC1CN(C1)Cc2ccncc2 2230a_100000702820_100015193705 [0,0,1,1,0,0|2,0,0]=4 5155 B13R2.31 CC1CN(C1)Cc2ccncc2 269982a_100000702820_100015193705 [0,0,1,1,0,0|2,0,0]=4 5156 B13R2.31 CC1CN(C1)Cc2ccnnc2 270004a_100000702820_100011934578 [0,0,1,1,0,0|1,0,0]=3 5157 B13R2.31 CC1CN(C1)Cc2cnccn2 2230a_100000702820_100016995436 [0,0,1,1,0,0|1,0,0]=3 5158 B13R2.31 CC1CN(C1)Cc2cnccn2 269982a_100000702820_100016995436 [0,0,1,1,0,0|1,0,0]=3 5159 B13R2.31 CC1CN(C1)Cc2cnccn2 270004a_100000702820_100000749867 [0,0,1,1,0,0|1,0,0]=3 5160 B13R2.31 CC1CN(C1)Cc2cnccn2 34a_100000702820_100016995436 [0,0,1,1,0,0|1,0,0]=3 5161 B13R2.31 CC1CN(C1)Cc2cncnc2 2230a_100000702820_100015196519 [0,0,1,1,0,0|1,0,0]=3 5162 B13R2.31 CC1CN(C1)Cc2cncnc2 269982a_100000702820_100016991940 [0,0,1,1,0,0|1,0,0]=3 5163 B13R2.31 CC1CN(C1)Cc2cncnc2 270004a_100000702820_100000749868 [0,0,1,1,0,0|1,0,0]=3 5164 B13R2.31 CC1CN(C1)Cc2cncnc2 34a_100000702820_100015196519 [0,0,1,1,0,0|1,0,0]=3 5165 B13R2.31 FC1CN(C1)Cc2ccccc2 2230a_100000690557_100015291786 [0,0,1,1,0,0|2,0,0]=4 5166 B13R2.31 FC1CN(C1)Cc2ccccc2 269982a_100000690557_100000211182 [0,0,1,1,0,0|2,0,0]=4 5167 B13R2.31 FC1CN(C1)Cc2ccccc2 270004a_100000690557_100015611070 [0,0,1,1,0,0|2,0,0]=4 5168 B13R2.31 FC1CN(C1)Cc2ccccc2 34a_100000690557_100015291786 [0,0,1,1,0,0|2,0,0]=4 5169 B13R2.31 FC1CN(C1)Cc2cccnc2 2230a_100000690557_100000741622 [0,0,1,1,0,0|1,0,0]=3 5170 B13R2.31 FC1CN(C1)Cc2cccnc2 269982a_100000690557_100000733263 [0,0,1,1,0,0|1,0,0]=3 5171 B13R2.31 FC1CN(C1)Cc2cccnc2 270004a_100000690557_100000209961 [0,0,1,1,0,0|1,0,0]=3 5172 B13R2.31 FC1CN(C1)Cc2cccnc2 34a_100000690557_100000733263 [0,0,1,1,0,0|1,0,0]=3 5173 B13R2.31 FC1CN(C1)Cc2cccnn2 2230a_100000690557_100016990269 [0,0,1,1,0,0|2,0,0]=4 5174 B13R2.31 FC1CN(C1)Cc2cccnn2 34a_100000690557_100016990269 [0,0,1,1,0,0|2,0,0]=4 5175 B13R2.31 FC1CN(C1)Cc2ccnnc2 270004a_100000690557_100011934578 [0,0,1,1,0,0|2,0,0]=4 5176 B13R2.31 FC1CN(C1)Cc2cnccn2 2230a_100000690557_100016995436 [0,0,1,1,0,0|2,0,0]=4 5177 B13R2.31 FC1CN(C1)Cc2cnccn2 269982a_100000690557_100016995436 [0,0,1,1,0,0|2,0,0]=4 5178 B13R2.31 FC1CN(C1)Cc2cnccn2 270004a_100000690557_100000749867 [0,0,1,1,0,0|2,0,0]=4 5179 B13R2.31 FC1CN(C1)Cc2cnccn2 34a_100000690557_100016995436 [0,0,1,1,0,0|2,0,0]=4 5180 B13R2.31 FC1CN(C1)Cc2cncnc2 2230a_100000690557_100015196519 [0,0,1,1,0,0|2,0,0]=4 5181 B13R2.31 FC1CN(C1)Cc2cncnc2 269982a_100000690557_100016991940 [0,0,1,1,0,0|2,0,0]=4 5182 B13R2.31 FC1CN(C1)Cc2cncnc2 270004a_100000690557_100000749868 [0,0,1,1,0,0|2,0,0]=4 5183 B13R2.31 FC1CN(C1)Cc2cncnc2 34a_100000690557_100015196519 [0,0,1,1,0,0|2,0,0]=4 5184 B13R2.31 OC1CN(C1)Cc2ccccc2 269982a_100000749847_100000211182 [0,0,1,1,0,0|2,0,0]=4 5185 B13R2.31 OC1CN(C1)Cc2cccnc2 269982a_100000749847_100000733263 [0,0,1,1,0,0|1,0,0]=3 5186 B13R2.31 OC1CN(C1)Cc2cnccn2 269982a_100000749847_100016995436 [0,0,1,1,0,0|2,0,0]=4 5187 B13R2.31 OC1CN(C1)Cc2cncnc2 269982a_100000749847_100016991940 [0,0,1,1,0,0|2,0,0]=4 5188 B13R2.163 CN1CCCc2ccccc2C1 2230a_100000059810_200000210301 [0,0,1,1,0,0|1,0,0]=3 5189 B13R2.163 CN1CCCc2ccccc2C1 269982a_100000059810_200000210301 [0,0,1,1,0,0|1,0,0]=3 5190 B13R2.163 CN1CCCc2ccccc2C1 34a_100000059810_200000210301 [0,0,1,1,0,0|1,0,0]=3 5191 B13R2.163 CN1CCOc2ccccc2C1 2230a_100000744108_200000210301 [0,0,1,1,0,0|2,0,0]=4 5192 B13R2.163 CN1CCOc2ccccc2C1 269982a_100000744108_200000210301 [0,0,1,1,0,0|2,0,0]=4 5193 B13R2.163 CN1CCOc2ccccc2C1 34a_100000744108_200000210301 [0,0,1,1,0,0|2,0,0]=4 5194 B13R2.163 [13CH3]N1CCCc2ccccc2C1 2230a_100000059810_200025704644 [0,0,1,1,0,0|1,0,0]=3 5195 B13R2.163 [13CH3]N1CCCc2ccccc2C1 269982a_100000059810_200025704644 [0,0,1,1,0,0|1,0,0]=3 5196 B13R2.163 [13CH3]N1CCCc2ccccc2C1 34a_100000059810_200025704644 [0,0,1,1,0,0|1,0,0]=3 5197 B13R2.163 [13CH3]N1CCOc2ccccc2C1 2230a_100000744108_200025704644 [0,0,1,1,0,0|2,0,0]=4 5198 B13R2.163 [13CH3]N1CCOc2ccccc2C1 269982a_100000744108_200025704644 [0,0,1,1,0,0|2,0,0]=4 5199 B13R2.163 [13CH3]N1CCOc2ccccc2C1 34a_100000744108_200025704644 [0,0,1,1,0,0|2,0,0]=4 5200 B13R2.328 CC1CN(Cc2c1cccc2)C 2230a_100015190047_200000210301 [0,0,1,1,0,0|1,0,0]=3 5201 B13R2.328 CC1CN(Cc2c1cccc2)C 269982a_100015190047_200000210301 [0,0,1,1,0,0|1,0,0]=3 5202 B13R2.328 CC1CN(Cc2c1cccc2)C 34a_100015190047_200000210301 [0,0,1,1,0,0|1,0,0]=3 5203 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 2230a_100015190047_200025704644 [0,0,1,1,0,0|1,0,0]=3 5204 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 269982a_100015190047_200025704644 [0,0,1,1,0,0|1,0,0]=3 5205 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 34a_100015190047_200025704644 [0,0,1,1,0,0|1,0,0]=3 5206 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000226674_100015291786 [0,0,1,1,0,0|1,0,0]=3 5207 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000759432_200000210301 [0,0,1,1,0,0|1,0,0]=3 5208 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000186898_100000211595 [0,0,1,1,0,0|1,0,0]=3 5209 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000226674_100000211182 [0,0,1,1,0,0|1,0,0]=3 5210 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000759432_200000210301 [0,0,1,1,0,0|1,0,0]=3 5211 B13R2.444 CN(Cc1ccccc1)C2CC2 270004a_100000226674_100015611070 [0,0,1,1,0,0|1,0,0]=3 5212 B13R2.444 CN(Cc1ccccc1)C2CC2 34a_100000759432_200000210301 [0,0,1,1,0,0|1,0,0]=3 5213 B13R2.444 CN(Cc1ccccn1)C2CC2 2230a_100000201565_200000210301 [0,0,1,1,0,0|2,0,0]=4 5214 B13R2.444 CN(Cc1ccccn1)C2CC2 2230a_100000226674_100000721315 [0,0,1,1,0,0|2,0,0]=4 5215 B13R2.444 CN(Cc1ccccn1)C2CC2 269982a_100000201565_200000210301 [0,0,1,1,0,0|2,0,0]=4 5216 B13R2.444 CN(Cc1ccccn1)C2CC2 269982a_100000207498_100000211595 [0,0,1,1,0,0|2,0,0]=4 5217 B13R2.444 CN(Cc1ccccn1)C2CC2 269982a_100000226674_100000721315 [0,0,1,1,0,0|2,0,0]=4 5218 B13R2.444 CN(Cc1ccccn1)C2CC2 270004a_100000226674_100000209966 [0,0,1,1,0,0|2,0,0]=4 5219 B13R2.444 CN(Cc1cccnc1)C2CC2 2230a_100000201567_200000210301 [0,0,1,1,0,0|0,0,0]=2 5220 B13R2.444 CN(Cc1cccnc1)C2CC2 2230a_100000226674_100000741622 [0,0,1,1,0,0|0,0,0]=2 5221 B13R2.444 CN(Cc1cccnc1)C2CC2 269982a_100000184577_100000211595 [0,0,1,1,0,0|0,0,0]=2 5222 B13R2.444 CN(Cc1cccnc1)C2CC2 269982a_100000201567_200000210301 [0,0,1,1,0,0|0,0,0]=2 5223 B13R2.444 CN(Cc1cccnc1)C2CC2 269982a_100000226674_100000733263 [0,0,1,1,0,0|0,0,0]=2 5224 B13R2.444 CN(Cc1cccnc1)C2CC2 270004a_100000226674_100000209961 [0,0,1,1,0,0|0,0,0]=2 5225 B13R2.444 CN(Cc1cccnn1)C2CC2 2230a_100000226674_100016990269 [0,0,1,1,0,0|1,0,0]=3 5226 B13R2.444 CN(Cc1ccncc1)C2CC2 2230a_100000201596_200000210301 [0,0,1,1,0,0|2,0,0]=4 5227 B13R2.444 CN(Cc1ccncc1)C2CC2 2230a_100000226674_100015193705 [0,0,1,1,0,0|2,0,0]=4 5228 B13R2.444 CN(Cc1ccncc1)C2CC2 269982a_100000187231_100000211595 [0,0,1,1,0,0|2,0,0]=4 5229 B13R2.444 CN(Cc1ccncc1)C2CC2 269982a_100000201596_200000210301 [0,0,1,1,0,0|2,0,0]=4 5230 B13R2.444 CN(Cc1ccncc1)C2CC2 269982a_100000226674_100015193705 [0,0,1,1,0,0|2,0,0]=4 5231 B13R2.444 CN(Cc1ccnnc1)C2CC2 270004a_100000226674_100011934578 [0,0,1,1,0,0|1,0,0]=3 5232 B13R2.444 CN(Cc1cnccn1)C2CC2 2230a_100000226674_100016995436 [0,0,1,1,0,0|1,0,0]=3 5233 B13R2.444 CN(Cc1cnccn1)C2CC2 269982a_100000226674_100016995436 [0,0,1,1,0,0|1,0,0]=3 5234 B13R2.444 CN(Cc1cnccn1)C2CC2 269982a_100011269079_100000211595 [0,0,1,1,0,0|1,0,0]=3 5235 B13R2.444 CN(Cc1cnccn1)C2CC2 270004a_100000226674_100000749867 [0,0,1,1,0,0|1,0,0]=3 5236 B13R2.444 CN(Cc1cncnc1)C2CC2 2230a_100000226674_100015196519 [0,0,1,1,0,0|1,0,0]=3 5237 B13R2.444 CN(Cc1cncnc1)C2CC2 269982a_100000226674_100016991940 [0,0,1,1,0,0|1,0,0]=3 5238 B13R2.444 CN(Cc1cncnc1)C2CC2 270004a_100000226674_100000749868 [0,0,1,1,0,0|1,0,0]=3 5239 B13R2.444 O=C(Cc1cccnc1)C2CC2 1458a_100000210395_100000733263 [0,0,1,1,0,0|2,0,0]=4 5240 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 2230a_100000759432_200025704644 [0,0,1,1,0,0|1,0,0]=3 5241 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 269982a_100000759432_200025704644 [0,0,1,1,0,0|1,0,0]=3 5242 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 34a_100000759432_200025704644 [0,0,1,1,0,0|1,0,0]=3 5243 B13R2.444 [13CH3]N(Cc1ccccn1)C2CC2 2230a_100000201565_200025704644 [0,0,1,1,0,0|2,0,0]=4 5244 B13R2.444 [13CH3]N(Cc1ccccn1)C2CC2 269982a_100000201565_200025704644 [0,0,1,1,0,0|2,0,0]=4 5245 B13R2.444 [13CH3]N(Cc1cccnc1)C2CC2 2230a_100000201567_200025704644 [0,0,1,1,0,0|0,0,0]=2 5246 B13R2.444 [13CH3]N(Cc1cccnc1)C2CC2 269982a_100000201567_200025704644 [0,0,1,1,0,0|0,0,0]=2 5247 B13R2.444 [13CH3]N(Cc1ccncc1)C2CC2 2230a_100000201596_200025704644 [0,0,1,1,0,0|2,0,0]=4 5248 B13R2.444 [13CH3]N(Cc1ccncc1)C2CC2 269982a_100000201596_200025704644 [0,0,1,1,0,0|2,0,0]=4 5249 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,0,1,1,0,0|1,0,0]=3 5250 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,0,1,1,0,0|1,0,0]=3 5251 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,0,1,1,0,0|1,0,0]=3 5252 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,0,1,1,0,0|1,0,0]=3 5253 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,0,1,1,0,0|1,0,0]=3 5254 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,0,1,1,0,0|1,0,0]=3 5255 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,0,1,1,0,0|1,0,0]=3 5256 B13R2.8137 CC(c1cnccn1)N2CCC2 269982a_100000754969_200000703233 [0,0,1,1,0,0|1,0,0]=3 5257 B13R2.15272 CCN(C)C1Cc2c1cccc2 269982a_100000225621_100009813401 [0,0,1,1,0,0|1,0,0]=3 5258 B13R2.29 CN1CCCC1Cn2cccn2 2230a_100000753591_200000210301 [0,0,1,1,0,0|1,0,1]=4 5259 B13R2.29 CN1CCCC1Cn2cccn2 269982a_100000753591_200000210301 [0,0,1,1,0,0|1,0,1]=4 5260 B13R2.29 CN1CCCC1Cn2cccn2 34a_100000753591_200000210301 [0,0,1,1,0,0|1,0,1]=4 5261 B13R2.29 [13CH3]N1CCCC1Cn2cccn2 2230a_100000753591_200025704644 [0,0,1,1,0,0|1,0,1]=4 5262 B13R2.29 [13CH3]N1CCCC1Cn2cccn2 269982a_100000753591_200025704644 [0,0,1,1,0,0|1,0,1]=4 5263 B13R2.29 [13CH3]N1CCCC1Cn2cccn2 34a_100000753591_200025704644 [0,0,1,1,0,0|1,0,1]=4 5264 B13R2.72 CN(C)C1CCc2c1cccc2 2230a_100102631434_200000721974 [0,0,1,1,0,0|1,0,0]=3 5265 B13R2.72 CN(C)C1CCc2c1cccc2 269982a_100102631434_200000721974 [0,0,1,1,0,0|1,0,0]=3 5266 B13R2.439 CC(=O)C1(CC1)c2cccnc2 1458a_100000717079_200000210301 [0,0,1,1,0,0|2,0,0]=4 5267 B13R2.439 [13CH3]C(=O)C1(CC1)c2cccnc2 1458a_100000717079_200025704644 [0,0,1,1,0,0|2,0,0]=4 5268 B15R3.2025 CN1CC2CC(C1)c3c2cccc3 2230a_100016997830_200000210301 [0,0,0,1,0,1|1,0,0]=3 5269 B15R3.2025 CN1CC2CC(C1)c3c2cccc3 269982a_100016997830_200000210301 [0,0,0,1,0,1|1,0,0]=3 5270 B15R3.2025 [13CH3]N1CC2CC(C1)c3c2cccc3 2230a_100016997830_200025704644 [0,0,0,1,0,1|1,0,0]=3 5271 B15R3.2025 [13CH3]N1CC2CC(C1)c3c2cccc3 269982a_100016997830_200025704644 [0,0,0,1,0,1|1,0,0]=3 5272 B11R1.30 CCCN(C)Cc1c[nH]cn1 2230a_100000747261_100000707719 [0,0,1,0,1,0|1,0,0]=3 5273 B11R1.30 CCCN(C)Cc1c[nH]cn1 269982a_100000747261_100000707719 [0,0,1,0,1,0|1,0,0]=3 5274 B11R1.30 CCCN(C)Cc1cc[nH]n1 270004a_100000747261_100000738523 [0,0,1,0,1,0|1,0,0]=3 5275 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [0,0,1,0,1,0|1,0,0]=3 5276 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [0,0,1,0,1,0|1,0,0]=3 5277 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [0,0,1,0,1,0|1,0,0]=3 5278 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [0,0,1,0,1,0|1,0,0]=3 5279 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [0,0,1,0,1,0|1,0,0]=3 5280 B11R1.30 CCCN(C)Cc1cccs1 2230a_100000184426_100000210303 [0,0,1,0,1,0|1,0,0]=3 5281 B11R1.30 CCCN(C)Cc1cccs1 2230a_200000186944_200000210301 [0,0,1,0,1,0|1,0,0]=3 5282 B11R1.30 CCCN(C)Cc1cccs1 269982a_100000184426_100000210303 [0,0,1,0,1,0|1,0,0]=3 5283 B11R1.30 CCCN(C)Cc1cccs1 269982a_200000186944_200000210301 [0,0,1,0,1,0|1,0,0]=3 5284 B11R1.30 CCCN(C)Cc1cccs1 270004a_100000747261_100000209959 [0,0,1,0,1,0|1,0,0]=3 5285 B11R1.30 CCCN(C)Cc1ccn[nH]1 2230a_100000747261_100000728653 [0,0,1,0,1,0|1,0,0]=3 5286 B11R1.30 CCCN(C)Cc1ccn[nH]1 269982a_100000747261_100000728653 [0,0,1,0,1,0|1,0,0]=3 5287 B11R1.30 CCCN(C)Cc1ccoc1 270004a_100000747261_100011215517 [0,0,1,0,1,0|1,0,0]=3 5288 B11R1.30 CCCN(C)Cc1ccon1 2230a_100000747261_100000234950 [0,0,1,0,1,0|1,0,0]=3 5289 B11R1.30 CCCN(C)Cc1ccon1 2230a_100000757864_100000210303 [0,0,1,0,1,0|1,0,0]=3 5290 B11R1.30 CCCN(C)Cc1ccon1 269982a_100000747261_100000234950 [0,0,1,0,1,0|1,0,0]=3 5291 B11R1.30 CCCN(C)Cc1ccon1 269982a_100000757864_100000210303 [0,0,1,0,1,0|1,0,0]=3 5292 B11R1.30 CCCN(C)Cc1ccsc1 2230a_100000747261_100011261437 [0,0,1,0,1,0|1,0,0]=3 5293 B11R1.30 CCCN(C)Cc1ccsc1 2230a_100020654213_100000210303 [0,0,1,0,1,0|1,0,0]=3 5294 B11R1.30 CCCN(C)Cc1ccsc1 2230a_200015183331_200000210301 [0,0,1,0,1,0|1,0,0]=3 5295 B11R1.30 CCCN(C)Cc1ccsc1 269982a_100000747261_100011233845 [0,0,1,0,1,0|1,0,0]=3 5296 B11R1.30 CCCN(C)Cc1ccsc1 269982a_100020654213_100000210303 [0,0,1,0,1,0|1,0,0]=3 5297 B11R1.30 CCCN(C)Cc1ccsc1 269982a_200015183331_200000210301 [0,0,1,0,1,0|1,0,0]=3 5298 B11R1.30 CCCN(C)Cc1ccsc1 270004a_100000747261_100000188534 [0,0,1,0,1,0|1,0,0]=3 5299 B11R1.30 CCCN(C)Cc1cn[nH]c1 270004a_100000747261_100016992096 [0,0,1,0,1,0|1,0,0]=3 5300 B11R1.30 CCCN(C)Cc1cnco1 270004a_100000747261_100000064291 [0,0,1,0,1,0|1,0,0]=3 5301 B11R1.30 CCCN(C)Cc1cncs1 2230a_100000747261_100015185245 [0,0,1,0,1,0|1,0,0]=3 5302 B11R1.30 CCCN(C)Cc1cncs1 269982a_100000747261_100015185245 [0,0,1,0,1,0|1,0,0]=3 5303 B11R1.30 CCCN(C)Cc1cncs1 270004a_100000747261_100000749870 [0,0,1,0,1,0|1,0,0]=3 5304 B11R1.30 CCCN(C)Cc1cocn1 270004a_100000747261_100000050382 [0,0,1,0,1,0|1,0,0]=3 5305 B11R1.30 CCCN(C)Cc1cscn1 2230a_100000225794_100000210303 [0,0,1,0,1,0|1,0,0]=3 5306 B11R1.30 CCCN(C)Cc1cscn1 2230a_100000747261_100000205941 [0,0,1,0,1,0|1,0,0]=3 5307 B11R1.30 CCCN(C)Cc1cscn1 269982a_100000225794_100000210303 [0,0,1,0,1,0|1,0,0]=3 5308 B11R1.30 CCCN(C)Cc1cscn1 269982a_100000747261_100000205941 [0,0,1,0,1,0|1,0,0]=3 5309 B11R1.30 CCCN(C)Cc1cscn1 270004a_100000747261_100000743575 [0,0,1,0,1,0|1,0,0]=3 5310 B11R1.30 CCCN(C)Cc1csnn1 270004a_100000747261_100000738508 [0,0,1,0,1,0|2,0,0]=4 5311 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100000747261_100016991755 [0,0,1,0,1,0|1,0,0]=3 5312 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210303 [0,0,1,0,1,0|1,0,0]=3 5313 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100000747261_100016991755 [0,0,1,0,1,0|1,0,0]=3 5314 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100015184136_100000210303 [0,0,1,0,1,0|1,0,0]=3 5315 B11R1.30 CCCN(C)Cc1ncco1 2230a_100000747261_103436540062 [0,0,1,0,1,0|1,0,0]=3 5316 B11R1.30 CCCN(C)Cc1ncco1 269982a_100000747261_103436540062 [0,0,1,0,1,0|1,0,0]=3 5317 B11R1.30 CCCN(C)Cc1ncco1 270004a_100000747261_100000064290 [0,0,1,0,1,0|1,0,0]=3 5318 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000747261_100015184050 [0,0,1,0,1,0|1,0,0]=3 5319 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000765864_100000210303 [0,0,1,0,1,0|1,0,0]=3 5320 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000747261_100015184050 [0,0,1,0,1,0|1,0,0]=3 5321 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000765864_100000210303 [0,0,1,0,1,0|1,0,0]=3 5322 B11R1.30 CCCN(C)Cc1nccs1 270004a_100000747261_100000750902 [0,0,1,0,1,0|1,0,0]=3 5323 B11R1.30 CCCN(C)Cc1ncon1 269982a_100000697192_100000210303 [0,0,1,0,1,0|2,0,0]=4 5324 B11R1.30 CCCN(C)Cc1ncon1 269982a_100000747261_100000233494 [0,0,1,0,1,0|2,0,0]=4 5325 B11R1.30 CCCN(C)Cn1cncn1 2230a_100000747261_200020645497 [0,0,1,0,1,0|2,0,0]=4 5326 B11R1.30 CCCN(C)Cn1cncn1 269982a_100000747261_200020645497 [0,0,1,0,1,0|2,0,0]=4 5327 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [0,0,1,0,1,0|1,0,0]=3 5328 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [0,0,1,0,1,0|1,0,0]=3 5329 B11R1.30 CCCN([13CH3])Cc1cccs1 2230a_200000186944_200025704644 [0,0,1,0,1,0|1,0,0]=3 5330 B11R1.30 CCCN([13CH3])Cc1cccs1 269982a_200000186944_200025704644 [0,0,1,0,1,0|1,0,0]=3 5331 B11R1.30 CCCN([13CH3])Cc1ccsc1 2230a_200015183331_200025704644 [0,0,1,0,1,0|1,0,0]=3 5332 B11R1.30 CCCN([13CH3])Cc1ccsc1 269982a_200015183331_200025704644 [0,0,1,0,1,0|1,0,0]=3 5333 B11R1.30 CN(CCF)Cc1ccco1 2230a_100000185268_100011217306 [0,0,1,0,1,0|2,0,0]=4 5334 B11R1.30 CN(CCF)Cc1ccco1 269982a_100000185268_100011217306 [0,0,1,0,1,0|2,0,0]=4 5335 B11R1.30 CN(CCF)Cc1cccs1 2230a_100000184426_100011217306 [0,0,1,0,1,0|2,0,0]=4 5336 B11R1.30 CN(CCF)Cc1cccs1 269982a_100000184426_100011217306 [0,0,1,0,1,0|2,0,0]=4 5337 B11R1.30 CN(CCF)Cc1ccon1 2230a_100000757864_100011217306 [0,0,1,0,1,0|2,0,0]=4 5338 B11R1.30 CN(CCF)Cc1ccon1 269982a_100000757864_100011217306 [0,0,1,0,1,0|2,0,0]=4 5339 B11R1.30 CN(CCF)Cc1ccsc1 2230a_100020654213_100011217306 [0,0,1,0,1,0|2,0,0]=4 5340 B11R1.30 CN(CCF)Cc1ccsc1 269982a_100020654213_100011217306 [0,0,1,0,1,0|2,0,0]=4 5341 B11R1.30 CN(CCF)Cc1cscn1 2230a_100000225794_100011217306 [0,0,1,0,1,0|2,0,0]=4 5342 B11R1.30 CN(CCF)Cc1cscn1 269982a_100000225794_100011217306 [0,0,1,0,1,0|2,0,0]=4 5343 B11R1.30 CN(CCF)Cc1ncc[nH]1 2230a_100015184136_100011217306 [0,0,1,0,1,0|2,0,0]=4 5344 B11R1.30 CN(CCF)Cc1ncc[nH]1 269982a_100015184136_100011217306 [0,0,1,0,1,0|2,0,0]=4 5345 B11R1.30 CN(CCF)Cc1nccs1 2230a_100000765864_100011217306 [0,0,1,0,1,0|2,0,0]=4 5346 B11R1.30 CN(CCF)Cc1nccs1 269982a_100000765864_100011217306 [0,0,1,0,1,0|2,0,0]=4 5347 B11R1.30 CN(CCO)Cc1c[nH]cn1 2230a_100000210263_100000707719 [0,0,1,0,1,0|2,0,0]=4 5348 B11R1.30 CN(CCO)Cc1c[nH]cn1 269982a_100000210263_100000707719 [0,0,1,0,1,0|2,0,0]=4 5349 B11R1.30 CN(CCO)Cc1cc[nH]n1 270004a_100000210263_100000738523 [0,0,1,0,1,0|2,0,0]=4 5350 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000185268_100000211926 [0,0,1,0,1,0|2,0,0]=4 5351 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000200452_200000210301 [0,0,1,0,1,0|2,0,0]=4 5352 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000185268_100000211926 [0,0,1,0,1,0|2,0,0]=4 5353 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000200452_200000210301 [0,0,1,0,1,0|2,0,0]=4 5354 B11R1.30 CN(CCO)Cc1ccco1 270004a_100000210263_100000186105 [0,0,1,0,1,0|2,0,0]=4 5355 B11R1.30 CN(CCO)Cc1cccs1 2230a_100000184426_100000211926 [0,0,1,0,1,0|2,0,0]=4 5356 B11R1.30 CN(CCO)Cc1cccs1 2230a_200000200436_200000210301 [0,0,1,0,1,0|2,0,0]=4 5357 B11R1.30 CN(CCO)Cc1cccs1 269982a_100000184426_100000211926 [0,0,1,0,1,0|2,0,0]=4 5358 B11R1.30 CN(CCO)Cc1cccs1 269982a_200000200436_200000210301 [0,0,1,0,1,0|2,0,0]=4 5359 B11R1.30 CN(CCO)Cc1cccs1 270004a_100000210263_100000209959 [0,0,1,0,1,0|2,0,0]=4 5360 B11R1.30 CN(CCO)Cc1ccn[nH]1 2230a_100000210263_100000728653 [0,0,1,0,1,0|2,0,0]=4 5361 B11R1.30 CN(CCO)Cc1ccn[nH]1 269982a_100000210263_100000728653 [0,0,1,0,1,0|2,0,0]=4 5362 B11R1.30 CN(CCO)Cc1ccoc1 270004a_100000210263_100011215517 [0,0,1,0,1,0|2,0,0]=4 5363 B11R1.30 CN(CCO)Cc1ccon1 2230a_100000210263_100000234950 [0,0,1,0,1,0|2,0,0]=4 5364 B11R1.30 CN(CCO)Cc1ccon1 2230a_100000757864_100000211926 [0,0,1,0,1,0|2,0,0]=4 5365 B11R1.30 CN(CCO)Cc1ccon1 269982a_100000210263_100000234950 [0,0,1,0,1,0|2,0,0]=4 5366 B11R1.30 CN(CCO)Cc1ccon1 269982a_100000757864_100000211926 [0,0,1,0,1,0|2,0,0]=4 5367 B11R1.30 CN(CCO)Cc1ccsc1 2230a_100000210263_100011261437 [0,0,1,0,1,0|2,0,0]=4 5368 B11R1.30 CN(CCO)Cc1ccsc1 2230a_100020654213_100000211926 [0,0,1,0,1,0|2,0,0]=4 5369 B11R1.30 CN(CCO)Cc1ccsc1 269982a_100000210263_100011233845 [0,0,1,0,1,0|2,0,0]=4 5370 B11R1.30 CN(CCO)Cc1ccsc1 269982a_100020654213_100000211926 [0,0,1,0,1,0|2,0,0]=4 5371 B11R1.30 CN(CCO)Cc1ccsc1 270004a_100000210263_100000188534 [0,0,1,0,1,0|2,0,0]=4 5372 B11R1.30 CN(CCO)Cc1cn[nH]c1 270004a_100000210263_100016992096 [0,0,1,0,1,0|2,0,0]=4 5373 B11R1.30 CN(CCO)Cc1cnco1 270004a_100000210263_100000064291 [0,0,1,0,1,0|2,0,0]=4 5374 B11R1.30 CN(CCO)Cc1cncs1 2230a_100000210263_100015185245 [0,0,1,0,1,0|2,0,0]=4 5375 B11R1.30 CN(CCO)Cc1cncs1 269982a_100000210263_100015185245 [0,0,1,0,1,0|2,0,0]=4 5376 B11R1.30 CN(CCO)Cc1cncs1 270004a_100000210263_100000749870 [0,0,1,0,1,0|2,0,0]=4 5377 B11R1.30 CN(CCO)Cc1cocn1 270004a_100000210263_100000050382 [0,0,1,0,1,0|2,0,0]=4 5378 B11R1.30 CN(CCO)Cc1cscn1 2230a_100000210263_100000205941 [0,0,1,0,1,0|2,0,0]=4 5379 B11R1.30 CN(CCO)Cc1cscn1 2230a_100000225794_100000211926 [0,0,1,0,1,0|2,0,0]=4 5380 B11R1.30 CN(CCO)Cc1cscn1 269982a_100000210263_100000205941 [0,0,1,0,1,0|2,0,0]=4 5381 B11R1.30 CN(CCO)Cc1cscn1 269982a_100000225794_100000211926 [0,0,1,0,1,0|2,0,0]=4 5382 B11R1.30 CN(CCO)Cc1cscn1 270004a_100000210263_100000743575 [0,0,1,0,1,0|2,0,0]=4 5383 B11R1.30 CN(CCO)Cc1ncc[nH]1 2230a_100000210263_100016991755 [0,0,1,0,1,0|2,0,0]=4 5384 B11R1.30 CN(CCO)Cc1ncc[nH]1 2230a_100015184136_100000211926 [0,0,1,0,1,0|2,0,0]=4 5385 B11R1.30 CN(CCO)Cc1ncc[nH]1 269982a_100000210263_100016991755 [0,0,1,0,1,0|2,0,0]=4 5386 B11R1.30 CN(CCO)Cc1ncc[nH]1 269982a_100015184136_100000211926 [0,0,1,0,1,0|2,0,0]=4 5387 B11R1.30 CN(CCO)Cc1ncco1 2230a_100000210263_103436540062 [0,0,1,0,1,0|2,0,0]=4 5388 B11R1.30 CN(CCO)Cc1ncco1 269982a_100000210263_103436540062 [0,0,1,0,1,0|2,0,0]=4 5389 B11R1.30 CN(CCO)Cc1ncco1 270004a_100000210263_100000064290 [0,0,1,0,1,0|2,0,0]=4 5390 B11R1.30 CN(CCO)Cc1nccs1 2230a_100000210263_100015184050 [0,0,1,0,1,0|2,0,0]=4 5391 B11R1.30 CN(CCO)Cc1nccs1 2230a_100000765864_100000211926 [0,0,1,0,1,0|2,0,0]=4 5392 B11R1.30 CN(CCO)Cc1nccs1 2230a_200015185061_200000210301 [0,0,1,0,1,0|2,0,0]=4 5393 B11R1.30 CN(CCO)Cc1nccs1 269982a_100000210263_100015184050 [0,0,1,0,1,0|2,0,0]=4 5394 B11R1.30 CN(CCO)Cc1nccs1 269982a_100000765864_100000211926 [0,0,1,0,1,0|2,0,0]=4 5395 B11R1.30 CN(CCO)Cc1nccs1 269982a_200015185061_200000210301 [0,0,1,0,1,0|2,0,0]=4 5396 B11R1.30 CN(CCO)Cc1nccs1 270004a_100000210263_100000750902 [0,0,1,0,1,0|2,0,0]=4 5397 B11R1.30 COCN(C)Cc1ccco1 2230a_100000185268_100000766300 [0,0,1,0,1,0|2,0,0]=4 5398 B11R1.30 COCN(C)Cc1ccco1 269982a_100000185268_100000766300 [0,0,1,0,1,0|2,0,0]=4 5399 B11R1.30 COCN(C)Cc1cccs1 2230a_100000184426_100000766300 [0,0,1,0,1,0|2,0,0]=4 5400 B11R1.30 COCN(C)Cc1cccs1 269982a_100000184426_100000766300 [0,0,1,0,1,0|2,0,0]=4 5401 B11R1.30 COCN(C)Cc1ccon1 2230a_100000757864_100000766300 [0,0,1,0,1,0|2,0,0]=4 5402 B11R1.30 COCN(C)Cc1ccon1 269982a_100000757864_100000766300 [0,0,1,0,1,0|2,0,0]=4 5403 B11R1.30 COCN(C)Cc1ccsc1 2230a_100020654213_100000766300 [0,0,1,0,1,0|2,0,0]=4 5404 B11R1.30 COCN(C)Cc1ccsc1 269982a_100020654213_100000766300 [0,0,1,0,1,0|2,0,0]=4 5405 B11R1.30 COCN(C)Cc1cscn1 2230a_100000225794_100000766300 [0,0,1,0,1,0|2,0,0]=4 5406 B11R1.30 COCN(C)Cc1cscn1 269982a_100000225794_100000766300 [0,0,1,0,1,0|2,0,0]=4 5407 B11R1.30 COCN(C)Cc1ncc[nH]1 2230a_100015184136_100000766300 [0,0,1,0,1,0|2,0,0]=4 5408 B11R1.30 COCN(C)Cc1ncc[nH]1 269982a_100015184136_100000766300 [0,0,1,0,1,0|2,0,0]=4 5409 B11R1.30 COCN(C)Cc1nccs1 2230a_100000765864_100000766300 [0,0,1,0,1,0|2,0,0]=4 5410 B11R1.30 COCN(C)Cc1nccs1 269982a_100000765864_100000766300 [0,0,1,0,1,0|2,0,0]=4 5411 B11R1.30 CSCN(C)Cc1ccco1 2230a_100000185268_100011218213 [0,0,1,0,1,0|2,0,0]=4 5412 B11R1.30 CSCN(C)Cc1ccco1 269982a_100000185268_100011218213 [0,0,1,0,1,0|2,0,0]=4 5413 B11R1.30 CSCN(C)Cc1cccs1 2230a_100000184426_100011218213 [0,0,1,0,1,0|2,0,0]=4 5414 B11R1.30 CSCN(C)Cc1cccs1 269982a_100000184426_100011218213 [0,0,1,0,1,0|2,0,0]=4 5415 B11R1.30 CSCN(C)Cc1ccon1 2230a_100000757864_100011218213 [0,0,1,0,1,0|2,0,0]=4 5416 B11R1.30 CSCN(C)Cc1ccon1 269982a_100000757864_100011218213 [0,0,1,0,1,0|2,0,0]=4 5417 B11R1.30 CSCN(C)Cc1ccsc1 2230a_100020654213_100011218213 [0,0,1,0,1,0|2,0,0]=4 5418 B11R1.30 CSCN(C)Cc1ccsc1 269982a_100020654213_100011218213 [0,0,1,0,1,0|2,0,0]=4 5419 B11R1.30 CSCN(C)Cc1cscn1 2230a_100000225794_100011218213 [0,0,1,0,1,0|2,0,0]=4 5420 B11R1.30 CSCN(C)Cc1cscn1 269982a_100000225794_100011218213 [0,0,1,0,1,0|2,0,0]=4 5421 B11R1.30 CSCN(C)Cc1ncc[nH]1 2230a_100015184136_100011218213 [0,0,1,0,1,0|2,0,0]=4 5422 B11R1.30 CSCN(C)Cc1ncc[nH]1 269982a_100015184136_100011218213 [0,0,1,0,1,0|2,0,0]=4 5423 B11R1.30 CSCN(C)Cc1nccs1 2230a_100000765864_100011218213 [0,0,1,0,1,0|2,0,0]=4 5424 B11R1.30 CSCN(C)Cc1nccs1 269982a_100000765864_100011218213 [0,0,1,0,1,0|2,0,0]=4 5425 B11R1.30 [13CH3]N(CCO)Cc1ccco1 2230a_100000200452_200025704644 [0,0,1,0,1,0|2,0,0]=4 5426 B11R1.30 [13CH3]N(CCO)Cc1ccco1 269982a_100000200452_200025704644 [0,0,1,0,1,0|2,0,0]=4 5427 B11R1.30 [13CH3]N(CCO)Cc1cccs1 2230a_200000200436_200025704644 [0,0,1,0,1,0|2,0,0]=4 5428 B11R1.30 [13CH3]N(CCO)Cc1cccs1 269982a_200000200436_200025704644 [0,0,1,0,1,0|2,0,0]=4 5429 B11R1.30 [13CH3]N(CCO)Cc1nccs1 2230a_200015185061_200025704644 [0,0,1,0,1,0|2,0,0]=4 5430 B11R1.30 [13CH3]N(CCO)Cc1nccs1 269982a_200015185061_200025704644 [0,0,1,0,1,0|2,0,0]=4 5431 B11R1.31 CC(c1ccco1)N(C)CF 269982a_100000232712_100015361967 [0,0,1,0,1,0|2,0,0]=4 5432 B11R1.31 CC(c1cccs1)N(C)CF 269982a_100000186410_100015361967 [0,0,1,0,1,0|2,0,0]=4 5433 B11R1.31 CC(c1nccs1)N(C)CF 269982a_103437849288_100015361967 [0,0,1,0,1,0|2,0,0]=4 5434 B11R1.31 CCN(C)C(C)c1ccco1 2230a_100000232712_100000210202 [0,0,1,0,1,0|1,0,0]=3 5435 B11R1.31 CCN(C)C(C)c1ccco1 269982a_100000232712_100000204670 [0,0,1,0,1,0|1,0,0]=3 5436 B11R1.31 CCN(C)C(C)c1cccs1 2230a_100000186410_100000210202 [0,0,1,0,1,0|1,0,0]=3 5437 B11R1.31 CCN(C)C(C)c1cccs1 269982a_100000186410_100000204670 [0,0,1,0,1,0|1,0,0]=3 5438 B11R1.31 CCN(C)C(C)c1nccs1 2230a_103437849288_100000210202 [0,0,1,0,1,0|1,0,0]=3 5439 B11R1.31 CCN(C)C(C)c1nccs1 269982a_103437849288_100000204670 [0,0,1,0,1,0|1,0,0]=3 5440 B11R2.239 c1cnc(cn1)N2CCC2 27a_100000754969_100000211759 [1,0,0,0,1,0|2,0,0]=4 5441 B11R2.239 c1cnnc(c1)N2CCC2 27a_100000754969_100016991348 [1,0,0,0,1,0|2,0,0]=4 5442 B13R1.11 CC(CO)NC(C)c1cccnc1 2230a_100000195435_100012180447 [0,0,1,0,0,1|2,0,0]=4 5443 B13R1.11 CC(N[C@H](C)CF)c1cccnc1 269862a_100102880703_100000210468 [0,0,1,0,0,1|2,0,0]=4 5444 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 269862a_100000737577_100000210468 [0,0,1,0,0,1|2,0,0]=4 5445 B13R1.11 CCC(=O)NC(C)c1cccnc1 11a_100000195435_100000210414 [0,0,1,0,0,1|2,0,0]=4 5446 B13R1.11 CCC(=O)NC(C)c1cccnc1 240690a_100000195435_100000210414 [0,0,1,0,0,1|2,0,0]=4 5447 B13R1.11 CCC(=O)NC(C)c1cccnc1 527a_100000195435_100000210414 [0,0,1,0,0,1|2,0,0]=4 5448 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,0,1,0,0,1|2,0,0]=4 5449 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,0,1,0,0,1|2,0,0]=4 5450 B13R1.11 CCC(C)NC(C)c1cccnc1 2230a_100000195435_100000758301 [0,0,1,0,0,1|1,0,0]=3 5451 B13R1.11 CCC(C)NC(C)c1cccnc1 269862a_100000209981_100000210468 [0,0,1,0,0,1|1,0,0]=3 5452 B13R1.11 CCC(C)NC(C)c1cccnn1 269862a_100000209981_100009866853 [0,0,1,0,0,1|2,0,0]=4 5453 B13R1.11 CCC(C)NC(C)c1ccnnc1 269862a_100000209981_100012182992 [0,0,1,0,0,1|2,0,0]=4 5454 B13R1.11 CCC(C)NC(C)c1cnccn1 2230a_100000209981_200000703233 [0,0,1,0,0,1|2,0,0]=4 5455 B13R1.11 CCC(C)NC(C)c1cnccn1 269862a_100000209981_100000751083 [0,0,1,0,0,1|2,0,0]=4 5456 B13R1.11 CCC(C)NC(C)c1cncnc1 269862a_100000209981_100000757475 [0,0,1,0,0,1|2,0,0]=4 5457 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,0,1,0,0,1|2,0,0]=4 5458 B13R1.11 CCC(C)N[C@H](C)c1cnccn1 2230a_100020589798_100000758301 [0,0,1,0,0,1|2,0,0]=4 5459 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,0,1,0,0,1|2,0,0]=4 5460 B13R1.11 CCC(C)OC(C)c1cnccn1 7a_100000210228_200000703233 [0,0,1,0,0,1|2,0,0]=4 5461 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,0,1,0,0,1|2,0,0]=4 5462 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,0,1,0,0,1|2,0,0]=4 5463 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,0,1,0,0,1|2,0,0]=4 5464 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,0,1,0,0,1|2,0,0]=4 5465 B13R1.11 CCC(C)SC(C)c1cnccn1 62a_100000758301_200000703233 [0,0,1,0,0,1|2,0,0]=4 5466 B13R1.11 CCC(C)SC(C)c1cnccn1 62a_200000703233_100000758301 [0,0,1,0,0,1|2,0,0]=4 5467 B13R1.11 CCN(C)CC(=O)c1cccnc1 269982a_100000225621_100000757877 [0,0,1,0,0,1|1,0,1]=4 5468 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,0,1,0,0,1|1,0,0]=3 5469 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,0,1,0,0,1|1,0,0]=3 5470 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,0,1,0,0,1|2,0,0]=4 5471 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,0,1,0,0,1|2,0,0]=4 5472 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,0,1,0,0,1|2,0,0]=4 5473 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,0,1,0,0,1|2,0,0]=4 5474 B13R1.418 CCC(Cc1ccccc1)N(C)C 270004a_100102631434_100000212045 [0,0,1,0,0,1|1,0,0]=3 5475 B13R1.418 CCC(Nc1cccnn1)C(C)C 27a_100000745074_100016991348 [0,0,1,0,0,1|2,0,0]=4 5476 B13R1.418 CCC(Nc1cnccn1)C(C)C 27a_100000745074_100000211759 [0,0,1,0,0,1|2,0,0]=4 5477 B13R1.418 CCN(Cc1cccnc1)C(C)C 2230a_100000186920_100000210206 [0,0,1,0,0,1|2,0,0]=4 5478 B13R1.418 CCN(Cc1cccnc1)C(C)C 2230a_100000200193_100000210202 [0,0,1,0,0,1|2,0,0]=4 5479 B13R1.418 CCN(Cc1cccnc1)C(C)C 2230a_100000223864_100000741622 [0,0,1,0,0,1|2,0,0]=4 5480 B13R1.418 CCN(Cc1cccnc1)C(C)C 269982a_100000186920_100000210206 [0,0,1,0,0,1|2,0,0]=4 5481 B13R1.418 CCN(Cc1cccnc1)C(C)C 269982a_100000200193_100000204670 [0,0,1,0,0,1|2,0,0]=4 5482 B13R1.418 CCN(Cc1cccnc1)C(C)C 269982a_100000223864_100000733263 [0,0,1,0,0,1|2,0,0]=4 5483 B13R1.418 CCN(Cc1cccnc1)C(C)C 270004a_100000223864_100000209961 [0,0,1,0,0,1|2,0,0]=4 5484 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_200000210301 [0,0,1,0,0,1|2,0,0]=4 5485 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_200000210301 [0,0,1,0,0,1|2,0,0]=4 5486 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 2230a_100016995599_200025704644 [0,0,1,0,0,1|2,0,0]=4 5487 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 269982a_100016995599_200025704644 [0,0,1,0,0,1|2,0,0]=4 5488 B15R2.31 CC1CCCC(C1)Nc2cccnn2 27a_100011194320_100016991348 [0,0,0,0,0,2|2,0,0]=4 5489 B15R2.31 CC1CCCC(C1)Nc2cnccn2 27a_100011194320_100000211759 [0,0,0,0,0,2|2,0,0]=4 5490 B15R2.31 CN1CCCC(C1)Cc2ccccc2 2230a_100000752525_200000210301 [0,0,0,0,0,2|1,0,0]=3 5491 B15R2.31 CN1CCCC(C1)Cc2ccccc2 269982a_100000752525_200000210301 [0,0,0,0,0,2|1,0,0]=3 5492 B15R2.31 CN1CCCC(C1)Cc2ccccc2 34a_100000752525_200000210301 [0,0,0,0,0,2|1,0,0]=3 5493 B15R2.31 CN1CCCC(C1)Oc2ccccc2 2230a_100015203908_200000210301 [0,0,0,0,0,2|1,0,0]=3 5494 B15R2.31 CN1CCCC(C1)Oc2ccccc2 269982a_100015203908_200000210301 [0,0,0,0,0,2|1,0,0]=3 5495 B15R2.31 CN1CCCC(C1)Oc2ccccc2 34a_100015203908_200000210301 [0,0,0,0,0,2|1,0,0]=3 5496 B15R2.31 CN1CCCC(C1)Oc2ccncc2 2230a_200020605211_200000210301 [0,0,0,0,0,2|2,0,0]=4 5497 B15R2.31 CN1CCCC(C1)Oc2ccncc2 269982a_200020605211_200000210301 [0,0,0,0,0,2|2,0,0]=4 5498 B15R2.31 CN1CCC[C@@H](C1)Nc2cccnn2 27a_100016992120_100016991348 [0,0,0,0,0,2|1,0,0]=3 5499 B15R2.31 CN1CCC[C@@H](C1)Nc2cnccn2 27a_100016992120_100000211759 [0,0,0,0,0,2|1,0,0]=3 5500 B15R2.31 CN1CCOC(C1)Cc2ccccc2 2230a_100000697294_200000210301 [0,0,0,0,0,2|2,0,0]=4 5501 B15R2.31 CN1CCOC(C1)Cc2ccccc2 269982a_100000697294_200000210301 [0,0,0,0,0,2|2,0,0]=4 5502 B15R2.31 CN1CCOC(C1)Cc2ccccc2 34a_100000697294_200000210301 [0,0,0,0,0,2|2,0,0]=4 5503 B15R2.31 C[C@H]1CCCN(C1)Cc2cccnc2 2230a_100000717927_100000741622 [0,0,0,0,0,2|2,0,0]=4 5504 B15R2.31 C[C@H]1CCCN(C1)Cc2cccnc2 269982a_100000717927_100000733263 [0,0,0,0,0,2|2,0,0]=4 5505 B15R2.31 C[C@H]1CCCN(C1)Cc2cccnc2 270004a_100000717927_100000209961 [0,0,0,0,0,2|2,0,0]=4 5506 B15R2.31 C[C@H]1CCCN(C1)Cc2cccnc2 34a_100000717927_100000733263 [0,0,0,0,0,2|2,0,0]=4 5507 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 2230a_100000752525_200025704644 [0,0,0,0,0,2|1,0,0]=3 5508 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 269982a_100000752525_200025704644 [0,0,0,0,0,2|1,0,0]=3 5509 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 34a_100000752525_200025704644 [0,0,0,0,0,2|1,0,0]=3 5510 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccccc2 2230a_100015203908_200025704644 [0,0,0,0,0,2|1,0,0]=3 5511 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccccc2 269982a_100015203908_200025704644 [0,0,0,0,0,2|1,0,0]=3 5512 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccccc2 34a_100015203908_200025704644 [0,0,0,0,0,2|1,0,0]=3 5513 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccncc2 2230a_200020605211_200025704644 [0,0,0,0,0,2|2,0,0]=4 5514 B15R2.31 [13CH3]N1CCCC(C1)Oc2ccncc2 269982a_200020605211_200025704644 [0,0,0,0,0,2|2,0,0]=4 5515 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 2230a_100000697294_200025704644 [0,0,0,0,0,2|2,0,0]=4 5516 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 269982a_100000697294_200025704644 [0,0,0,0,0,2|2,0,0]=4 5517 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 34a_100000697294_200025704644 [0,0,0,0,0,2|2,0,0]=4 5518 B15R2.548 CN1CCCC(CC1)c2ccccc2 2230a_100015185863_200000210301 [0,0,0,0,0,2|1,0,0]=3 5519 B15R2.548 CN1CCCC(CC1)c2ccccc2 269982a_100015185863_200000210301 [0,0,0,0,0,2|1,0,0]=3 5520 B15R2.548 CN1CCCC(CC1)c2ccccc2 34a_100015185863_200000210301 [0,0,0,0,0,2|1,0,0]=3 5521 B15R2.548 CN1CCCN(CC1)c2cccnc2 2230a_106741647137_200000210301 [0,0,0,0,0,2|1,0,0]=3 5522 B15R2.548 CN1CCCN(CC1)c2cccnc2 269982a_106741647137_200000210301 [0,0,0,0,0,2|1,0,0]=3 5523 B15R2.548 CN1CCCN(CC1)c2cccnn2 27a_100000211313_100016991348 [0,0,0,0,0,2|2,0,0]=4 5524 B15R2.548 CN1CCCN(CC1)c2cnccn2 2230a_114873767175_200000210301 [0,0,0,0,0,2|2,0,0]=4 5525 B15R2.548 CN1CCCN(CC1)c2cnccn2 269982a_114873767175_200000210301 [0,0,0,0,0,2|2,0,0]=4 5526 B15R2.548 CN1CCCN(CC1)c2cnccn2 27a_100000211313_100000211759 [0,0,0,0,0,2|2,0,0]=4 5527 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 2230a_100015185863_200025704644 [0,0,0,0,0,2|1,0,0]=3 5528 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 269982a_100015185863_200025704644 [0,0,0,0,0,2|1,0,0]=3 5529 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 34a_100015185863_200025704644 [0,0,0,0,0,2|1,0,0]=3 5530 B15R2.548 [13CH3]N1CCCN(CC1)c2cccnc2 2230a_106741647137_200025704644 [0,0,0,0,0,2|1,0,0]=3 5531 B15R2.548 [13CH3]N1CCCN(CC1)c2cccnc2 269982a_106741647137_200025704644 [0,0,0,0,0,2|1,0,0]=3 5532 B15R2.548 [13CH3]N1CCCN(CC1)c2cnccn2 2230a_114873767175_200025704644 [0,0,0,0,0,2|2,0,0]=4 5533 B15R2.548 [13CH3]N1CCCN(CC1)c2cnccn2 269982a_114873767175_200025704644 [0,0,0,0,0,2|2,0,0]=4 5534 B15R2.38 CC1CCCCC1Nc2cccnn2 27a_100000211402_100016991348 [0,0,0,0,0,2|2,0,0]=4 5535 B15R2.38 CC1CCCCC1Nc2cnccn2 27a_100000211402_100000211759 [0,0,0,0,0,2|2,0,0]=4 5536 B15R2.38 CC1CCCCN1Cc2cccnc2 2230a_100000211376_100000741622 [0,0,0,0,0,2|2,0,0]=4 5537 B15R2.38 CC1CCCCN1Cc2cccnc2 269982a_100000211376_100000733263 [0,0,0,0,0,2|2,0,0]=4 5538 B15R2.38 CC1CCCCN1Cc2cccnc2 270004a_100000211376_100000209961 [0,0,0,0,0,2|2,0,0]=4 5539 B15R2.38 CC1CCCCN1Cc2cccnc2 34a_100000211376_100000733263 [0,0,0,0,0,2|2,0,0]=4 5540 B15R2.38 CN1CCCCC1Cc2ccccc2 2230a_100000748602_200000210301 [0,0,0,0,0,2|1,0,0]=3 5541 B15R2.38 CN1CCCCC1Cc2ccccc2 269982a_100000748602_200000210301 [0,0,0,0,0,2|1,0,0]=3 5542 B15R2.38 CN1CCCCC1Cc2ccccc2 34a_100000748602_200000210301 [0,0,0,0,0,2|1,0,0]=3 5543 B15R2.38 CN1CCCCC1Cc2ccccn2 2230a_100011997240_200000210301 [0,0,0,0,0,2|2,0,0]=4 5544 B15R2.38 CN1CCCCC1Cc2ccccn2 269982a_100011997240_200000210301 [0,0,0,0,0,2|2,0,0]=4 5545 B15R2.38 CN1CCCCC1Cc2ccccn2 34a_100011997240_200000210301 [0,0,0,0,0,2|2,0,0]=4 5546 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 2230a_100009820136_200000210301 [0,0,0,0,0,2|1,0,0]=3 5547 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_200000210301 [0,0,0,0,0,2|1,0,0]=3 5548 B15R2.38 CN1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_200000210301 [0,0,0,0,0,2|1,0,0]=3 5549 B15R2.38 C[C@H]1COCCN1Cc2cccnc2 2230a_100009815349_100000741622 [0,0,0,0,0,2|2,0,0]=4 5550 B15R2.38 C[C@H]1COCCN1Cc2cccnc2 269982a_100009815349_100000733263 [0,0,0,0,0,2|2,0,0]=4 5551 B15R2.38 C[C@H]1COCCN1Cc2cccnc2 270004a_100009815349_100000209961 [0,0,0,0,0,2|2,0,0]=4 5552 B15R2.38 C[C@H]1COCCN1Cc2cccnc2 34a_100009815349_100000733263 [0,0,0,0,0,2|2,0,0]=4 5553 B15R2.38 FC1CCCCC1Oc2cccnc2 34a_100000210849_100015423560 [0,0,0,0,0,2|2,0,0]=4 5554 B15R2.38 FC1CCCCC1Sc2cccnc2 62a_100000210063_100015423560 [0,0,0,0,0,2|2,0,0]=4 5555 B15R2.38 FC1CCCCC1Sc2cccnc2 62a_100015423560_100000210063 [0,0,0,0,0,2|2,0,0]=4 5556 B15R2.38 O=C1CCCCC1Oc2cccnc2 34a_100000210849_100000754470 [0,0,0,0,0,2|2,0,0]=4 5557 B15R2.38 O=C1CCCCC1Oc2cccnc2 7a_100000210849_100000204591 [0,0,0,0,0,2|2,0,0]=4 5558 B15R2.38 O=C1CCCCC1Sc2cccnc2 62a_100000204591_100000210063 [0,0,0,0,0,2|2,0,0]=4 5559 B15R2.38 O=C1CCCCC1Sc2cccnc2 62a_100000210063_100000204591 [0,0,0,0,0,2|2,0,0]=4 5560 B15R2.38 O=C1CCOCC1Oc2cccnc2 34a_100000210849_100012180262 [0,0,0,0,0,2|2,0,0]=4 5561 B15R2.38 O=C1CCOCC1Oc2cccnc2 7a_100000210849_100012180262 [0,0,0,0,0,2|2,0,0]=4 5562 B15R2.38 O=C1CCOCC1Sc2cccnc2 62a_100000210063_100012180262 [0,0,0,0,0,2|2,0,0]=4 5563 B15R2.38 O=C1CCOCC1Sc2cccnc2 62a_100012180262_100000210063 [0,0,0,0,0,2|2,0,0]=4 5564 B15R2.38 O=C1NCCCC1Oc2cccnc2 34a_100000210849_100000687798 [0,0,0,0,0,2|2,0,0]=4 5565 B15R2.38 O=C1NCCCC1Oc2cccnc2 7a_100000210849_100000687798 [0,0,0,0,0,2|2,0,0]=4 5566 B15R2.38 O=C1NCCCC1Sc2cccnc2 62a_100000210063_100000687798 [0,0,0,0,0,2|2,0,0]=4 5567 B15R2.38 O=C1NCCCC1Sc2cccnc2 62a_100000687798_100000210063 [0,0,0,0,0,2|2,0,0]=4 5568 B15R2.38 OC1CCCCC1Oc2cccnc2 34a_100000210849_100000038908 [0,0,0,0,0,2|2,0,0]=4 5569 B15R2.38 OC1CCCCC1Sc2cccnc2 62a_100000038908_100000210063 [0,0,0,0,0,2|2,0,0]=4 5570 B15R2.38 OC1CCCCC1Sc2cccnc2 62a_100000210063_100000038908 [0,0,0,0,0,2|2,0,0]=4 5571 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 2230a_100000748602_200025704644 [0,0,0,0,0,2|1,0,0]=3 5572 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 269982a_100000748602_200025704644 [0,0,0,0,0,2|1,0,0]=3 5573 B15R2.38 [13CH3]N1CCCCC1Cc2ccccc2 34a_100000748602_200025704644 [0,0,0,0,0,2|1,0,0]=3 5574 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 2230a_100011997240_200025704644 [0,0,0,0,0,2|2,0,0]=4 5575 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 269982a_100011997240_200025704644 [0,0,0,0,0,2|2,0,0]=4 5576 B15R2.38 [13CH3]N1CCCCC1Cc2ccccn2 34a_100011997240_200025704644 [0,0,0,0,0,2|2,0,0]=4 5577 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 2230a_100009820136_200025704644 [0,0,0,0,0,2|1,0,0]=3 5578 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 269982a_100009820136_200025704644 [0,0,0,0,0,2|1,0,0]=3 5579 B15R2.38 [13CH3]N1CCOC[C@@H]1Cc2ccccc2 34a_100009820136_200025704644 [0,0,0,0,0,2|1,0,0]=3 5580 B15R2.54 CN1CCCCCC1c2cccnc2 2230a_100011283942_200000210301 [0,0,0,0,0,2|0,0,0]=2 5581 B15R2.54 CN1CCCCCC1c2cccnc2 269982a_100011283942_200000210301 [0,0,0,0,0,2|0,0,0]=2 5582 B15R2.54 CN1CCCCCC1c2cccnc2 34a_100011283942_200000210301 [0,0,0,0,0,2|0,0,0]=2 5583 B15R2.54 CN1CCCCCC1c2ccncc2 2230a_200000739733_200000210301 [0,0,0,0,0,2|2,0,0]=4 5584 B15R2.54 CN1CCCCCC1c2ccncc2 269982a_200000739733_200000210301 [0,0,0,0,0,2|2,0,0]=4 5585 B15R2.54 CN1CCCCCC1c2ccncc2 34a_200000739733_200000210301 [0,0,0,0,0,2|2,0,0]=4 5586 B15R2.54 [13CH3]N1CCCCCC1c2cccnc2 2230a_100011283942_200025704644 [0,0,0,0,0,2|0,0,0]=2 5587 B15R2.54 [13CH3]N1CCCCCC1c2cccnc2 269982a_100011283942_200025704644 [0,0,0,0,0,2|0,0,0]=2 5588 B15R2.54 [13CH3]N1CCCCCC1c2cccnc2 34a_100011283942_200025704644 [0,0,0,0,0,2|0,0,0]=2 5589 B15R2.54 [13CH3]N1CCCCCC1c2ccncc2 2230a_200000739733_200025704644 [0,0,0,0,0,2|2,0,0]=4 5590 B15R2.54 [13CH3]N1CCCCCC1c2ccncc2 269982a_200000739733_200025704644 [0,0,0,0,0,2|2,0,0]=4 5591 B15R2.54 [13CH3]N1CCCCCC1c2ccncc2 34a_200000739733_200025704644 [0,0,0,0,0,2|2,0,0]=4 5592 B15R2.55 CC1CCCC1=NNc2cccnc2 4a_100000728903_100000752053 [0,0,0,0,0,2|1,0,1]=4 5593 B15R2.55 CC1CCCC1NCc2ccccc2 269862a_100015324214_100000752053 [0,0,0,0,0,2|2,0,0]=4 5594 B15R2.55 CC1CCCC1NCc2cccnc2 269862a_100000210453_100000752053 [0,0,0,0,0,2|1,0,0]=3 5595 B15R2.55 CC1CCCC1NCc2cccnn2 269862a_100159270163_100000752053 [0,0,0,0,0,2|2,0,0]=4 5596 B15R2.55 CC1CCCC1NCc2cncnc2 269862a_100011243677_100000752053 [0,0,0,0,0,2|2,0,0]=4 5597 B15R2.55 CC1CCCC1OCc2ccccc2 34a_100011216460_100015291786 [0,0,0,0,0,2|2,0,0]=4 5598 B15R2.55 CC1CCCC1OCc2ccccc2 7a_100011216460_100000211182 [0,0,0,0,0,2|2,0,0]=4 5599 B15R2.55 CC1CCCC1OCc2cccnc2 34a_100011216460_100000733263 [0,0,0,0,0,2|1,0,0]=3 5600 B15R2.55 CC1CCCC1OCc2cccnc2 7a_100011216460_100000741622 [0,0,0,0,0,2|1,0,0]=3 5601 B15R2.55 CC1CCCC1OCc2cccnn2 34a_100011216460_100016990269 [0,0,0,0,0,2|2,0,0]=4 5602 B15R2.55 CC1CCCC1OCc2cccnn2 7a_100011216460_100016990269 [0,0,0,0,0,2|2,0,0]=4 5603 B15R2.55 CC1CCCC1OCc2cnccn2 34a_100011216460_100016995436 [0,0,0,0,0,2|2,0,0]=4 5604 B15R2.55 CC1CCCC1OCc2cnccn2 7a_100011216460_100016995436 [0,0,0,0,0,2|2,0,0]=4 5605 B15R2.55 CC1CCCC1OCc2cncnc2 34a_100011216460_100015196519 [0,0,0,0,0,2|2,0,0]=4 5606 B15R2.55 CC1CCCC1OCc2cncnc2 7a_100011216460_100015196519 [0,0,0,0,0,2|2,0,0]=4 5607 B15R2.55 CC1OCCC1NCc2cccnc2 270004a_100000210453_100000691750 [0,0,0,0,0,2|2,0,0]=4 5608 B15R2.55 CN1CCCC1CCc2ccccc2 2230a_100000741814_200000210301 [0,0,0,0,0,2|1,0,0]=3 5609 B15R2.55 CN1CCCC1CCc2ccccc2 269982a_100000741814_200000210301 [0,0,0,0,0,2|1,0,0]=3 5610 B15R2.55 CN1CCCC1CCc2ccccc2 34a_100000741814_200000210301 [0,0,0,0,0,2|1,0,0]=3 5611 B15R2.55 CN1CCC[C@H]1CNc2cccnn2 27a_100009821018_100016991348 [0,0,0,0,0,2|1,0,0]=3 5612 B15R2.55 CN1CCC[C@H]1CNc2cnccn2 27a_100009821018_100000211759 [0,0,0,0,0,2|1,0,0]=3 5613 B15R2.55 C[C@@H]1CCCN1CCc2cccnc2 2230a_100015189458_200011713674 [0,0,0,0,0,2|2,0,0]=4 5614 B15R2.55 C[C@@H]1CCCN1CCc2cccnc2 269982a_100015189458_200011713674 [0,0,0,0,0,2|2,0,0]=4 5615 B15R2.55 C[C@@H]1CNC[C@@H]1OCc2cccnc2 34a_200015306588_100000733263 [0,0,0,0,0,2|2,0,0]=4 5616 B15R2.55 C[C@H]1CCCN1CCc2cccnc2 2230a_100020605311_200011713674 [0,0,0,0,0,2|2,0,0]=4 5617 B15R2.55 C[C@H]1CCCN1CCc2cccnc2 269982a_100020605311_200011713674 [0,0,0,0,0,2|2,0,0]=4 5618 B15R2.55 Cl[C@@H]1CCC[C@H]1OCc2cccnc2 34a_200016002552_100000733263 [0,0,0,0,0,2|2,0,0]=4 5619 B15R2.55 N[C@H]1CCC[C@@H]1OCc2cccnc2 34a_100000748460_100000733263 [0,0,0,0,0,2|2,0,0]=4 5620 B15R2.55 O=C1CCCC1OCc2cccnc2 34a_200000719330_100000733263 [0,0,0,0,0,2|2,0,0]=4 5621 B15R2.55 O=C1CCCC1SCc2cccnc2 62a_100000211823_100000741622 [0,0,0,0,0,2|2,0,0]=4 5622 B15R2.55 O=C1CCCC1SCc2cccnc2 62a_100000741622_100000211823 [0,0,0,0,0,2|2,0,0]=4 5623 B15R2.55 O[C@@H]1CCC[C@H]1SCc2cccnc2 62a_100000741622_200016002552 [0,0,0,0,0,2|2,0,0]=4 5624 B15R2.55 O[C@@H]1CCC[C@H]1SCc2cccnc2 62a_200016002552_100000741622 [0,0,0,0,0,2|2,0,0]=4 5625 B15R2.55 O[C@H]1CCC[C@@H]1NCc2cccnc2 207a_100000748460_100000209961 [0,0,0,0,0,2|2,0,0]=4 5626 B15R2.55 O[C@H]1CCC[C@@H]1NCc2cccnc2 270004a_100000748460_100000209961 [0,0,0,0,0,2|2,0,0]=4 5627 B15R2.55 [13CH3]N1CCCC1CCc2ccccc2 2230a_100000741814_200025704644 [0,0,0,0,0,2|1,0,0]=3 5628 B15R2.55 [13CH3]N1CCCC1CCc2ccccc2 269982a_100000741814_200025704644 [0,0,0,0,0,2|1,0,0]=3 5629 B15R2.55 [13CH3]N1CCCC1CCc2ccccc2 34a_100000741814_200025704644 [0,0,0,0,0,2|1,0,0]=3