0 B15R2.4808 Cn1c(cnc1CO)c2ccccc2 271570a_100011218836_100009817024 [1,0,0,0,0,0|2,0,0]=3 1 B15R2.4808 Cn1c(cnc1CO)c2ccccn2 271570a_100011264011_100009817024 [1,0,0,0,0,0|3,0,0]=4 2 B15R2.4808 Cn1c(cnc1CO)c2cccnc2 271570a_100000757648_100009817024 [1,0,0,0,0,0|3,0,0]=4 3 B15R2.4808 Cn1c(cnc1CO)c2ccncc2 271570a_100000752145_100009817024 [1,0,0,0,0,0|3,0,0]=4 4 B15R1.477 CC[C@@H](CO)NC(=O)Nc1ccccc1 2430a_100000106764_100000709445 [0,0,1,0,0,0|2,0,1]=4 5 B15R1.1215 C=CC=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100016291481 [0,0,1,0,0,0|2,0,1]=4 6 B15R1.1215 C=CC=CC(=O)N(CC)c1ccccc1 22a_100000210013_100016291481 [0,0,1,0,0,0|2,0,1]=4 7 B15R1.1215 CCC=CC(=O)N(CC)c1ccccc1 11a_100000210013_100000212282 [0,0,1,0,0,0|2,0,0]=3 8 B15R1.1215 CCC=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000212282 [0,0,1,0,0,0|2,0,0]=3 9 B15R1.1215 CCC=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000212282 [0,0,1,0,0,0|2,0,0]=3 10 B15R1.1215 CCN(C(=O)C=COC)c1ccccc1 1626a_100000210013_100016268678 [0,0,1,0,0,0|3,0,0]=4 11 B15R1.1215 CCN(C(=O)C=COC)c1ccccc1 22a_100000210013_100016268678 [0,0,1,0,0,0|3,0,0]=4 12 B15R1.9922 CC(=O)C(c1ccccc1)N(C)CCO 2230a_100000210263_100009888967 [0,0,1,0,0,0|1,0,2]=4 13 B15R1.9922 CC(=O)C(c1ccccc1)N(C)CCO 269982a_100000210263_100009888967 [0,0,1,0,0,0|1,0,2]=4 14 B15R1.9922 CN(CCO)C(C(=O)N)c1ccccc1 2230a_100000210263_100000188848 [0,0,1,0,0,0|2,0,1]=4 15 B15R1.9922 CN(CCO)C(C(=O)N)c1ccccc1 269982a_100000210263_100000188848 [0,0,1,0,0,0|2,0,1]=4 16 B17R2.165 Cc1cc(cc(c1c2ccccc2)C)CO 271570a_100011218836_100012339607 [0,0,0,0,0,1|3,0,0]=4 17 B17R2.1954 Cc1cnc(c(c1c2ccccc2)C)CO 271570a_100011218836_100000094799 [0,0,0,0,0,1|3,0,0]=4 18 B14R1.743 CCC(=CC(=O)Cc1ccccc1)C 1458a_100020758463_100015291786 [1,0,1,0,0,0|2,0,0]=4 19 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100020758463 [1,0,1,0,0,0|1,0,0]=3 20 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100020758463 [1,0,1,0,0,0|1,0,0]=3 21 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100020758463 [1,0,1,0,0,0|1,0,0]=3 22 B14R1.743 C[C@H](CO)NC(=O)Nc1ccccc1 2430a_100000106764_100000737577 [1,0,1,0,0,0|1,0,1]=4 23 B14R1.743 O=C(CO)CC(=O)Nc1ccccc1 1458a_100000210174_100000182850 [1,0,1,0,0,0|1,0,1]=4 24 B14R1.166 C=CC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100016291481 [1,0,1,0,0,0|1,0,1]=4 25 B14R1.166 C=CC=CC(=O)N(C)c1ccccc1 22a_100000210012_100016291481 [1,0,1,0,0,0|1,0,1]=4 26 B14R1.166 CCC=CC(=O)C(C)c1ccccc1 1458a_100000212282_100000230085 [1,0,1,0,0,0|2,0,0]=4 27 B14R1.166 CCC=CC(=O)N(C)c1ccccc1 11a_100000210012_100000212282 [1,0,1,0,0,0|1,0,0]=3 28 B14R1.166 CCC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000212282 [1,0,1,0,0,0|1,0,0]=3 29 B14R1.166 CCC=CC(=O)N(C)c1ccccc1 22a_100000210012_100000212282 [1,0,1,0,0,0|1,0,0]=3 30 B14R1.166 COC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100016268678 [1,0,1,0,0,0|2,0,0]=4 31 B14R1.166 COC=CC(=O)N(C)c1ccccc1 22a_100000210012_100016268678 [1,0,1,0,0,0|2,0,0]=4 32 B14R1.604 C=CC(c1ccccc1)N(C)CCO 2230a_100000210263_200000085779 [1,0,1,0,0,0|1,0,1]=4 33 B14R1.604 C=CC(c1ccccc1)N(C)CCO 269982a_100000210263_200000085779 [1,0,1,0,0,0|1,0,1]=4 34 B14R1.604 CC=CC(=O)N(CC)c1ccccc1 11a_100000210013_100000210699 [1,0,1,0,0,0|1,0,0]=3 35 B14R1.604 CC=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000210699 [1,0,1,0,0,0|1,0,0]=3 36 B14R1.604 CC=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000210699 [1,0,1,0,0,0|1,0,0]=3 37 B14R1.604 CCN(C(=O)C=CBr)c1ccccc1 1626a_100000210013_100016273825 [1,0,1,0,0,0|2,0,0]=4 38 B14R1.604 CCN(C(=O)C=CCl)c1ccccc1 11a_100000210013_200016279998 [1,0,1,0,0,0|2,0,0]=4 39 B14R1.604 CCN(C(=O)C=CCl)c1ccccc1 1626a_100000210013_200016279998 [1,0,1,0,0,0|2,0,0]=4 40 B14R1.604 CCN(C(=O)C=CI)c1ccccc1 1626a_100000210013_100016256311 [1,0,1,0,0,0|2,0,0]=4 41 B14R1.604 CCN(C(=O)CCO)c1ccccc1 22a_100000210013_100011216618 [1,0,1,0,0,0|1,0,1]=4 42 B14R2.4514 Cc1c(cnn1c2ccccc2)O 271570a_203496583355_200000023685 [2,0,0,0,0,0|2,0,0]=4 43 B14R2.4514 Cc1cnc(n1C)c2ccccc2 271570a_100011218836_100009816807 [2,0,0,0,0,0|2,0,0]=4 44 B14R2.4514 Cc1ncc(n1C)c2ccccc2 271570a_100011218836_100000762843 [2,0,0,0,0,0|2,0,0]=4 45 B14R2.8 OCc1ccc(o1)c2ccccc2 271570a_100011218836_100000246276 [2,0,0,0,0,0|2,0,0]=4 46 B14R2.8 OCc1ccc(o1)c2ccccc2 271570a_200000079978_100000210277 [2,0,0,0,0,0|2,0,0]=4 47 B14R2.8 OCc1ccc(s1)c2ccccc2 271570a_100010143978_100000210277 [2,0,0,0,0,0|2,0,0]=4 48 B14R2.8 OCc1ccc(s1)c2ccccc2 271570a_100011218836_100000246291 [2,0,0,0,0,0|2,0,0]=4 49 B16R1.859 CCC(=CC(=O)N(CC)c1ccccc1)C 11a_100000210013_100020758463 [0,1,1,0,0,0|2,0,0]=4 50 B16R1.859 CCC(=CC(=O)N(CC)c1ccccc1)C 1626a_100000210013_100020758463 [0,1,1,0,0,0|2,0,0]=4 51 B16R1.859 CCC(=CC(=O)N(CC)c1ccccc1)C 22a_100000210013_100020758463 [0,1,1,0,0,0|2,0,0]=4 52 B16R1.859 CCN(C(=O)CC(=O)CO)c1ccccc1 1458a_100000210174_100000183513 [0,1,1,0,0,0|1,0,1]=4 53 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)Br 11a_100000219632_100000212282 [0,1,1,0,0,0|2,0,0]=4 54 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)Br 1626a_100000219632_100000212282 [0,1,1,0,0,0|2,0,0]=4 55 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)Br 22a_100000219632_100000212282 [0,1,1,0,0,0|2,0,0]=4 56 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)C 11a_100000219985_100000212282 [0,1,1,0,0,0|2,0,0]=4 57 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)C 1626a_100000219985_100000212282 [0,1,1,0,0,0|2,0,0]=4 58 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)C 22a_100000219985_100000212282 [0,1,1,0,0,0|2,0,0]=4 59 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)Cl 11a_100000220165_100000212282 [0,1,1,0,0,0|2,0,0]=4 60 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)Cl 1626a_100000220165_100000212282 [0,1,1,0,0,0|2,0,0]=4 61 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)Cl 22a_100000220165_100000212282 [0,1,1,0,0,0|2,0,0]=4 62 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)F 11a_100102640331_100000212282 [0,1,1,0,0,0|2,0,0]=4 63 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)F 1626a_100102640331_100000212282 [0,1,1,0,0,0|2,0,0]=4 64 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)F 22a_100102640331_100000212282 [0,1,1,0,0,0|2,0,0]=4 65 B16R1.1455 CCC=CC(=O)N(CC)c1ccc(cc1)O 22a_100011337800_100000212282 [0,1,1,0,0,0|2,0,0]=4 66 B16R1.1456 CCC=CC(=O)N(CC)c1cccc(c1)Br 11a_100000738899_100000212282 [0,1,1,0,0,0|2,0,0]=4 67 B16R1.1456 CCC=CC(=O)N(CC)c1cccc(c1)Br 1626a_100000738899_100000212282 [0,1,1,0,0,0|2,0,0]=4 68 B16R1.1456 CCC=CC(=O)N(CC)c1cccc(c1)Br 22a_100000738899_100000212282 [0,1,1,0,0,0|2,0,0]=4 69 B16R1.1456 CCC=CC(=O)N(CC)c1cccc(c1)C 11a_100000182157_100000212282 [0,1,1,0,0,0|2,0,0]=4 70 B16R1.1456 CCC=CC(=O)N(CC)c1cccc(c1)C 1626a_100000182157_100000212282 [0,1,1,0,0,0|2,0,0]=4 71 B16R1.1456 CCC=CC(=O)N(CC)c1cccc(c1)C 22a_100000182157_100000212282 [0,1,1,0,0,0|2,0,0]=4 72 B16R1.1456 CCC=CC(=O)N(CC)c1cccc(c1)O 1626a_100000717746_100000212282 [0,1,1,0,0,0|2,0,0]=4 73 B16R1.1673 CCN(C(=O)C=CC(C)C)c1ccccc1 11a_100000210013_100016268746 [0,1,1,0,0,0|2,0,0]=4 74 B16R1.1673 CCN(C(=O)C=CC(C)C)c1ccccc1 1626a_100000210013_100016268746 [0,1,1,0,0,0|2,0,0]=4 75 B16R1.1673 CCN(C(=O)C=CC(C)C)c1ccccc1 22a_100000210013_100016268746 [0,1,1,0,0,0|2,0,0]=4 76 B16R1.1705 CC/C=C/CC(=O)N(CC)c1ccccc1 11a_100000210013_100016274230 [0,1,1,0,0,0|2,0,0]=4 77 B16R1.1705 CC/C=C/CC(=O)N(CC)c1ccccc1 1626a_100000210013_100016274230 [0,1,1,0,0,0|2,0,0]=4 78 B16R1.1705 CC/C=C/CC(=O)N(CC)c1ccccc1 22a_100000210013_100016274230 [0,1,1,0,0,0|2,0,0]=4 79 B16R1.1705 CCCC=CC(=O)N(CC)c1ccccc1 11a_100000210013_100000212230 [0,1,1,0,0,0|2,0,0]=4 80 B16R1.1705 CCCC=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000212230 [0,1,1,0,0,0|2,0,0]=4 81 B16R1.1705 CCCC=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000212230 [0,1,1,0,0,0|2,0,0]=4 82 B16R1.1705 CCN(C(=O)C=CCOC)c1ccccc1 11a_100000210013_100016285016 [0,1,1,0,0,0|1,0,0]=3 83 B16R1.1705 CCN(C(=O)C=CCOC)c1ccccc1 1626a_100000210013_100016285016 [0,1,1,0,0,0|1,0,0]=3 84 B16R1.1705 CCN(C(=O)C=CCOC)c1ccccc1 22a_100000210013_100016285016 [0,1,1,0,0,0|1,0,0]=3 85 B16R1.1705 CCOC=CC(=O)N(CC)c1ccccc1 11a_100000210013_100016266692 [0,1,1,0,0,0|2,0,0]=4 86 B16R1.1705 CCOC=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100016266692 [0,1,1,0,0,0|2,0,0]=4 87 B16R1.1705 CCOC=CC(=O)N(CC)c1ccccc1 22a_100000210013_100016266692 [0,1,1,0,0,0|2,0,0]=4 88 B16R1.4559 CC/C=C(\C)/C(=O)N(CC)c1ccccc1 11a_100000210013_100016988807 [0,1,1,0,0,0|2,0,0]=4 89 B16R1.4559 CC/C=C(\C)/C(=O)N(CC)c1ccccc1 1626a_100000210013_100016988807 [0,1,1,0,0,0|2,0,0]=4 90 B16R1.4559 CC/C=C(\C)/C(=O)N(CC)c1ccccc1 22a_100000210013_100016988807 [0,1,1,0,0,0|2,0,0]=4 91 B16R1.7873 CCC=CC(=O)N(CCC)c1ccccc1 11a_200011218496_100000212282 [0,1,1,0,0,0|2,0,0]=4 92 B16R1.7873 CCC=CC(=O)N(CCC)c1ccccc1 1626a_200011218496_100000212282 [0,1,1,0,0,0|2,0,0]=4 93 B16R1.7873 CCC=CC(=O)N(CCC)c1ccccc1 22a_200011218496_100000212282 [0,1,1,0,0,0|2,0,0]=4 94 B16R1.7873 CCC=CC(=O)N(CCO)c1ccccc1 22a_100000211345_100000212282 [0,1,1,0,0,0|2,0,0]=4 95 B16R1.7878 CCC=CC(=O)N(c1ccccc1)C(C)C 11a_100000210572_100000212282 [0,1,1,0,0,0|2,0,0]=4 96 B16R1.7878 CCC=CC(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100000212282 [0,1,1,0,0,0|2,0,0]=4 97 B16R1.20764 CCC=CC(=O)N(CC)c1ccccc1Br 11a_114873767003_100000212282 [0,1,1,0,0,0|2,0,0]=4 98 B16R1.20764 CCC=CC(=O)N(CC)c1ccccc1Br 1626a_114873767003_100000212282 [0,1,1,0,0,0|2,0,0]=4 99 B16R1.20764 CCC=CC(=O)N(CC)c1ccccc1C 11a_100000211084_100000212282 [0,1,1,0,0,0|2,0,0]=4 100 B16R1.20764 CCC=CC(=O)N(CC)c1ccccc1C 1626a_100000211084_100000212282 [0,1,1,0,0,0|2,0,0]=4 101 B16R1.20764 CCC=CC(=O)N(CC)c1ccccc1C 22a_100000211084_100000212282 [0,1,1,0,0,0|2,0,0]=4 102 B16R1.20764 CCC=CC(=O)N(CC)c1ccccc1F 11a_100000220365_100000212282 [0,1,1,0,0,0|2,0,0]=4 103 B16R1.20764 CCC=CC(=O)N(CC)c1ccccc1F 1626a_100000220365_100000212282 [0,1,1,0,0,0|2,0,0]=4 104 B16R1.20764 CCC=CC(=O)N(CC)c1ccccc1O 22a_103624766699_100000212282 [0,1,1,0,0,0|2,0,0]=4 105 B16R2.97836 Cc1c(c(=O)n(n1C)c2ccccc2)O 271570a_203496583355_100009813935 [1,1,0,0,0,0|0,0,0]=2 106 B16R2.2428 Cc1ccc(cc1)c2cnc(n2C)CO 271570a_100000708704_100009817024 [1,1,0,0,0,0|2,0,0]=4 107 B16R2.2428 Cn1c(cnc1CO)c2ccc(cc2)Br 271570a_100010235827_100009817024 [1,1,0,0,0,0|2,0,0]=4 108 B16R2.2428 Cn1c(cnc1CO)c2ccc(cc2)Cl 271570a_100011213355_100009817024 [1,1,0,0,0,0|2,0,0]=4 109 B16R2.2428 Cn1c(cnc1CO)c2ccc(cc2)F 271570a_100011934326_100009817024 [1,1,0,0,0,0|2,0,0]=4 110 B16R2.2428 Cn1c(cnc1CO)c2ccc(cc2)I 271570a_100000033156_100009817024 [1,1,0,0,0,0|2,0,0]=4 111 B16R2.2428 Cn1c(cnc1CO)c2ccc(cc2)N 271570a_100015188457_100009817024 [1,1,0,0,0,0|2,0,0]=4 112 B16R2.2428 Cn1c(cnc1CO)c2ccc(cc2)O 271570a_100015205159_100009817024 [1,1,0,0,0,0|2,0,0]=4 113 B16R2.3706 COCc1cnn(c1C)c2ccccc2 34a_100011219318_200000210301 [1,1,0,0,0,0|2,0,0]=4 114 B16R2.3706 COCc1cnn(c1C)c2ccccc2 7a_100011219318_200000210301 [1,1,0,0,0,0|2,0,0]=4 115 B16R2.3706 Cc1c(cnn1c2ccccc2)CO[13CH3] 34a_100011219318_200025704644 [1,1,0,0,0,0|2,0,0]=4 116 B16R2.3706 Cc1c(cnn1c2ccccc2)CO[13CH3] 7a_100011219318_200025704644 [1,1,0,0,0,0|2,0,0]=4 117 B16R2.11143 Cc1cccc(c1)c2cnc(n2C)CO 271570a_100000749446_100009817024 [1,1,0,0,0,0|2,0,0]=4 118 B16R2.11143 Cn1c(cnc1CO)c2cccc(c2)Cl 271570a_100011214927_100009817024 [1,1,0,0,0,0|2,0,0]=4 119 B16R2.11143 Cn1c(cnc1CO)c2cccc(c2)F 271570a_100012349223_100009817024 [1,1,0,0,0,0|2,0,0]=4 120 B16R2.11143 Cn1c(cnc1CO)c2cccc(c2)I 271570a_100000043368_100009817024 [1,1,0,0,0,0|2,0,0]=4 121 B16R2.11143 Cn1c(cnc1CO)c2cccc(c2)N 271570a_100000699968_100009817024 [1,1,0,0,0,0|2,0,0]=4 122 B16R2.11143 Cn1c(cnc1CO)c2cccc(c2)O 271570a_100000693801_100009817024 [1,1,0,0,0,0|2,0,0]=4 123 B16R2.75907 Cc1ccccc1c2cnc(n2C)CO 271570a_100000747142_100009817024 [1,1,0,0,0,0|2,0,0]=4 124 B16R2.75907 Cn1c(cnc1CO)c2ccccc2Cl 271570a_100011934419_100009817024 [1,1,0,0,0,0|2,0,0]=4 125 B16R2.75907 Cn1c(cnc1CO)c2ccccc2F 271570a_100000761933_100009817024 [1,1,0,0,0,0|2,0,0]=4 126 B16R2.75907 Cn1c(cnc1CO)c2ccccc2I 271570a_100000069755_100009817024 [1,1,0,0,0,0|2,0,0]=4 127 B16R2.75907 Cn1c(cnc1CO)c2ccccc2N 271570a_100000034411_100009817024 [1,1,0,0,0,0|2,0,0]=4 128 B16R2.75907 Cn1c(cnc1CO)c2ccccc2O 271570a_100000035170_100009817024 [1,1,0,0,0,0|2,0,0]=4 129 B18R2.47068 CNCc1c(c(=O)n(n1C)c2ccccc2)Br 2230a_106832991635_200009814248 [0,2,0,0,0,0|1,0,0]=3 130 B18R2.47068 CNCc1c(c(=O)n(n1C)c2ccccc2)Br 34a_100102657272_200009814248 [0,2,0,0,0,0|1,0,0]=3 131 B18R2.47068 CNCc1c(c(=O)n(n1C)c2ccccc2)Br 7a_106832991635_200009814248 [0,2,0,0,0,0|1,0,0]=3 132 B18R2.47068 COCc1c(c(=O)n(n1C)c2ccccc2)Br 34a_100138415774_200009814248 [0,2,0,0,0,0|0,0,0]=2 133 B18R2.47068 CSCc1c(c(=O)n(n1C)c2ccccc2)Br 62a_200009814248_200000210301 [0,2,0,0,0,0|0,1,0]=3 134 B18R2.47068 Cn1c(c(c(=O)n1c2ccccc2)Br)CS[13CH3] 62a_200009814248_200025704644 [0,2,0,0,0,0|0,1,0]=3 135 B16R2.524 O=C(C=C1CCCC1)Nc2ccccc2 11a_100000106764_100000743260 [0,0,1,1,0,0|2,0,0]=4 136 B16R2.524 O=C(C=C1CCCC1)Nc2ccccc2 1626a_100000106764_100000743260 [0,0,1,1,0,0|2,0,0]=4 137 B16R2.524 O=C(C=C1CCCC1)Nc2ccccc2 22a_100000106764_100000743260 [0,0,1,1,0,0|2,0,0]=4 138 B16R2.524 O=C(C=C1CCCC1)Nc2ccccc2 527a_100000106764_100000743260 [0,0,1,1,0,0|2,0,0]=4 139 B16R2.2506 CNc1ccn(c(=O)c1)c2ccccc2 27a_100102657272_100015696735 [0,0,1,1,0,0|1,0,1]=4 140 B16R1.126 CCC=CC(=O)N(CC)Cc1ccccc1 11a_100000186914_100000212282 [0,0,1,0,0,1|2,0,0]=4 141 B16R1.126 CCC=CC(=O)N(CC)Cc1ccccc1 1626a_100000186914_100000212282 [0,0,1,0,0,1|2,0,0]=4 142 B16R1.126 CCC=CC(=O)N(CC)Cc1ccccc1 240690a_100000186914_100000212282 [0,0,1,0,0,1|2,0,0]=4 143 B16R2.2279 Cc1cc(ccc1CO)c2ccccc2 271570a_100000098338_100000210277 [1,0,0,0,0,1|2,0,0]=4 144 B16R2.2279 Cc1cc(ccc1CO)c2ccccc2 271570a_100011218836_100000748258 [1,0,0,0,0,1|2,0,0]=4 145 B16R2.11144 Cn1c(cnc1CO)Sc2ccccc2 62a_100000719477_100009817024 [1,0,0,0,0,1|2,0,0]=4 146 B16R2.11144 Cn1c(cnc1CO)Sc2ccccc2 62a_100009817024_100000041952 [1,0,0,0,0,1|2,0,0]=4