0 B15R2.6 C=C(C)COc1csc2c1cccc2 34a_100000077758_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.6 C=C(C)COc1csc2c1cccc2 7a_100000077758_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.6 C=C(C)CSc1c[nH]c2c1cccn2 62a_100000748629_100011934613 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.6 C=C(C)CSc1c[nH]c2c1ccnc2 62a_100000748629_100010232032 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.6 C=C(C)CSc1c[nH]c2c1cncc2 62a_100000748629_100000753697 [0,0,0,0,0,0|3,0,1]=4 5 B15R2.6 C=C(C)CSc1c[nH]c2c1nccc2 62a_100000748629_100009817151 [0,0,0,0,0,0|3,0,1]=4 6 B15R2.6 C=C(C)CSc1coc2c1cccc2 62a_100000748629_100009812202 [0,0,0,0,0,0|3,0,1]=4 7 B15R2.6 C=C(C)CSc1csc2c1cccc2 62a_100000748629_100009813928 [0,0,0,0,0,0|3,0,1]=4 8 B15R2.6 C=C(C)CSc1n[nH]c2c1cccc2 62a_100000748629_100000050141 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.6 CC(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [0,0,0,0,0,0|2,0,0]=2 11 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000070787_100009895007 [0,0,0,0,0,0|3,0,0]=3 13 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B15R2.6 CC(=O)CCn1ccc2c1cccc2 1458a_100000186764_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B15R2.6 CC(=O)CCn1cnc2c1cccc2 1458a_100000177575_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100015343762 [0,0,0,0,0,0|3,0,0]=3 17 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100103153847 [0,0,0,0,0,0|3,0,0]=3 18 B15R2.6 CC(=O)NCc1csc2c1cccc2 11a_100000744611_100015343762 [0,0,0,0,0,0|4,0,0]=4 19 B15R2.6 CC(=O)NCc1csc2c1cccc2 1626a_100000744611_100015343762 [0,0,0,0,0,0|4,0,0]=4 20 B15R2.6 CC(=O)NCc1csc2c1cccc2 240690a_100000744611_100015343762 [0,0,0,0,0,0|4,0,0]=4 21 B15R2.6 CC(=O)NCc1csc2c1cccc2 527a_100000744611_100103153847 [0,0,0,0,0,0|4,0,0]=4 22 B15R2.6 CC(C)C=Cc1c[nH]c2c1cccn2 271570a_100016257149_100011934613 [0,0,0,0,0,0|2,0,2]=4 23 B15R2.6 CC(C)C=Cc1c[nH]c2c1ccnc2 271570a_100016257149_100010232032 [0,0,0,0,0,0|2,0,2]=4 24 B15R2.6 CC(C)C=Cc1c[nH]c2c1cncc2 271570a_100016257149_100011934843 [0,0,0,0,0,0|2,0,2]=4 25 B15R2.6 CC(C)C=Cc1c[nH]c2c1nccc2 271570a_100016257149_100009817151 [0,0,0,0,0,0|2,0,2]=4 26 B15R2.6 CC(C)C=Cc1coc2c1cccc2 271570a_100016257149_100009812202 [0,0,0,0,0,0|2,0,2]=4 27 B15R2.6 CC(C)C=Cc1csc2c1cccc2 271570a_100016257149_100009813928 [0,0,0,0,0,0|2,0,2]=4 28 B15R2.6 CC(C)C=Cc1n[nH]c2c1cccc2 271570a_100016257149_100000050141 [0,0,0,0,0,0|2,0,2]=4 29 B15R2.6 CC(C)CNc1n[nH]c2c1cccn2 27a_100000210953_100009818534 [0,0,0,0,0,0|4,0,0]=4 30 B15R2.6 CC(C)CNc1n[nH]c2c1cncc2 27a_100000210953_100009820117 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.6 CC(C)CNc1n[nH]c2c1nccc2 27a_100000210953_100009817118 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.6 CC(C)COc1csc2c1cccc2 34a_100000077758_100000210624 [0,0,0,0,0,0|3,0,0]=3 33 B15R2.6 CC(C)COc1csc2c1cccc2 7a_100000077758_100000210760 [0,0,0,0,0,0|3,0,0]=3 34 B15R2.6 CC(C)CSc1c[nH]c2c1cccn2 62a_100000210624_100011934613 [0,0,0,0,0,0|3,0,0]=3 35 B15R2.6 CC(C)CSc1c[nH]c2c1ccnc2 62a_100000210624_100010232032 [0,0,0,0,0,0|3,0,0]=3 36 B15R2.6 CC(C)CSc1c[nH]c2c1cncc2 62a_100000210624_100000753697 [0,0,0,0,0,0|3,0,0]=3 37 B15R2.6 CC(C)CSc1c[nH]c2c1cncn2 62a_100000210624_100000072862 [0,0,0,0,0,0|4,0,0]=4 38 B15R2.6 CC(C)CSc1c[nH]c2c1cncn2 62a_100009817560_100000210760 [0,0,0,0,0,0|4,0,0]=4 39 B15R2.6 CC(C)CSc1c[nH]c2c1nccc2 62a_100000210624_100009817151 [0,0,0,0,0,0|3,0,0]=3 40 B15R2.6 CC(C)CSc1c[nH]c2c1nccn2 62a_100000210624_100009819587 [0,0,0,0,0,0|4,0,0]=4 41 B15R2.6 CC(C)CSc1cnc2n1cccc2 62a_100000210624_100011219245 [0,0,0,0,0,0|3,0,1]=4 42 B15R2.6 CC(C)CSc1cnn2c1cccc2 62a_100000210624_100009817726 [0,0,0,0,0,0|3,0,1]=4 43 B15R2.6 CC(C)CSc1coc2c1cccc2 62a_100000210624_100009812202 [0,0,0,0,0,0|3,0,0]=3 44 B15R2.6 CC(C)CSc1coc2c1nccc2 62a_100000210624_100009889148 [0,0,0,0,0,0|4,0,0]=4 45 B15R2.6 CC(C)CSc1csc2c1cccc2 62a_100000210624_100009813928 [0,0,0,0,0,0|3,0,0]=3 46 B15R2.6 CC(C)CSc1csc2c1cccn2 62a_100000210624_100009830249 [0,0,0,0,0,0|4,0,0]=4 47 B15R2.6 CC(C)CSc1csc2c1cccn2 62a_100009830249_100000210760 [0,0,0,0,0,0|4,0,0]=4 48 B15R2.6 CC(C)CSc1csc2c1ccnc2 62a_100000210624_100009817111 [0,0,0,0,0,0|4,0,0]=4 49 B15R2.6 CC(C)CSc1csc2c1ccnc2 62a_100009817111_100000210760 [0,0,0,0,0,0|4,0,0]=4 50 B15R2.6 CC(C)CSc1csc2c1cncc2 62a_100000210624_100010247091 [0,0,0,0,0,0|4,0,0]=4 51 B15R2.6 CC(C)CSc1csc2c1cncc2 62a_100010247091_100000210760 [0,0,0,0,0,0|4,0,0]=4 52 B15R2.6 CC(C)CSc1csc2c1nccc2 62a_100000210624_100010247092 [0,0,0,0,0,0|4,0,0]=4 53 B15R2.6 CC(C)CSc1n[nH]c2c1cccc2 62a_100000210624_100000050141 [0,0,0,0,0,0|3,0,0]=3 54 B15R2.6 CC(C)CSc1n[nH]c2c1cccn2 62a_100000210624_100009888962 [0,0,0,0,0,0|4,0,0]=4 55 B15R2.6 CC(C)CSc1n[nH]c2c1ccnc2 62a_100000210624_100010244369 [0,0,0,0,0,0|4,0,0]=4 56 B15R2.6 CC(C)CSc1n[nH]c2c1cncc2 62a_100000210624_100009820117 [0,0,0,0,0,0|4,0,0]=4 57 B15R2.6 CC(C)CSc1n[nH]c2c1nccc2 62a_100000210624_100009817118 [0,0,0,0,0,0|4,0,0]=4 58 B15R2.6 CC(C)CSc1noc2c1cccc2 62a_100000210624_200000703156 [0,0,0,0,0,0|4,0,0]=4 59 B15R2.6 CC(C)CSc1noc2c1cccc2 62a_200000703156_100000210760 [0,0,0,0,0,0|4,0,0]=4 60 B15R2.6 CC(C)NCc1cnc2n1cccc2 207a_100138425928_100000052358 [0,0,0,0,0,0|3,0,1]=4 61 B15R2.6 CC(C)NCc1cnc2n1cccc2 2230a_100015187830_100000210206 [0,0,0,0,0,0|3,0,1]=4 62 B15R2.6 CC(C)NCc1cnn2c1cccc2 207a_100138425928_100011787723 [0,0,0,0,0,0|3,0,1]=4 63 B15R2.6 CC(C)NCc1coc2c1cccc2 207a_100138425928_100000688544 [0,0,0,0,0,0|3,0,0]=3 64 B15R2.6 CC(C)NCc1csc2c1cccc2 207a_100138425928_100000239721 [0,0,0,0,0,0|3,0,0]=3 65 B15R2.6 CC(C)NCc1csc2c1cccc2 2230a_100138425928_200000742921 [0,0,0,0,0,0|3,0,0]=3 66 B15R2.6 CC(C)NCc1csc2c1cccc2 34a_100000744611_100000210206 [0,0,0,0,0,0|3,0,0]=3 67 B15R2.6 CC(C)NCc1csc2c1cccc2 34a_100138425928_200000742921 [0,0,0,0,0,0|3,0,0]=3 68 B15R2.6 CC(C)NCc1n[nH]c2c1cccc2 207a_100138425928_100000059708 [0,0,0,0,0,0|3,0,0]=3 69 B15R2.6 CC(C)NCc1noc2c1cccc2 34a_100138425928_100009813815 [0,0,0,0,0,0|4,0,0]=4 70 B15R2.6 CC(C)OCc1csc2c1cccc2 34a_100000212225_200000742921 [0,0,0,0,0,0|3,0,0]=3 71 B15R2.6 CC(C)OCc1csc2c1cccc2 34a_100011219454_100000210206 [0,0,0,0,0,0|3,0,0]=3 72 B15R2.6 CC(C)OCc1noc2c1cccc2 34a_100000212225_100009813815 [0,0,0,0,0,0|4,0,0]=4 73 B15R2.6 CC(C)SCc1csc2c1cccc2 62a_100000210206_200000742921 [0,0,0,0,0,0|3,0,0]=3 74 B15R2.6 CC(C)SCc1csc2c1cccc2 62a_200000742921_100000210206 [0,0,0,0,0,0|3,0,0]=3 75 B15R2.6 CC(C)SCc1noc2c1cccc2 62a_100000210206_100009813815 [0,0,0,0,0,0|4,0,0]=4 76 B15R2.6 CC(C)SCc1noc2c1cccc2 62a_100009813815_100000210206 [0,0,0,0,0,0|4,0,0]=4 77 B15R2.6 CC(O)COc1csc2c1cccc2 34a_100000077758_100011218427 [0,0,0,0,0,0|4,0,0]=4 78 B15R2.6 CC(O)COc1csc2c1cccc2 7a_100000077758_100011218427 [0,0,0,0,0,0|4,0,0]=4 79 B15R2.6 CC(O)CSc1c[nH]c2c1cccn2 62a_100011218427_100011934613 [0,0,0,0,0,0|4,0,0]=4 80 B15R2.6 CC(O)CSc1c[nH]c2c1ccnc2 62a_100011218427_100010232032 [0,0,0,0,0,0|4,0,0]=4 81 B15R2.6 CC(O)CSc1c[nH]c2c1cncc2 62a_100011218427_100000753697 [0,0,0,0,0,0|4,0,0]=4 82 B15R2.6 CC(O)CSc1c[nH]c2c1nccc2 62a_100011218427_100009817151 [0,0,0,0,0,0|4,0,0]=4 83 B15R2.6 CC(O)CSc1coc2c1cccc2 62a_100011218427_100009812202 [0,0,0,0,0,0|4,0,0]=4 84 B15R2.6 CC(O)CSc1csc2c1cccc2 62a_100011218427_100009813928 [0,0,0,0,0,0|4,0,0]=4 85 B15R2.6 CC(O)CSc1n[nH]c2c1cccc2 62a_100011218427_100000050141 [0,0,0,0,0,0|4,0,0]=4 86 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 2230a_100102631434_100011218569 [0,0,0,0,0,0|0,0,0]=0 87 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 269982a_100102631434_100011218569 [0,0,0,0,0,0|0,0,0]=0 88 B15R2.6 CN(C)CCc1c[nH]c2c1cccn2 2230a_100102631434_100009895007 [0,0,0,0,0,0|1,0,0]=1 89 B15R2.6 CN(C)CCc1c[nH]c2c1cccn2 269982a_100102631434_100009895007 [0,0,0,0,0,0|1,0,0]=1 90 B15R2.6 CN(C)CCn1ccc2c1cccc2 2230a_100015183269_200000210301 [0,0,0,0,0,0|2,0,0]=2 91 B15R2.6 CN(C)CCn1ccc2c1cccc2 269982a_100015183269_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B15R2.6 CN([13CH3])CCn1ccc2c1cccc2 2230a_100015183269_200025704644 [0,0,0,0,0,0|2,0,0]=2 93 B15R2.6 CN([13CH3])CCn1ccc2c1cccc2 269982a_100015183269_200025704644 [0,0,0,0,0,0|2,0,0]=2 94 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 34a_100000077758_100009817552 [0,0,0,0,0,0|4,0,0]=4 95 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 7a_100000077758_100009817552 [0,0,0,0,0,0|4,0,0]=4 96 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1cccn2 62a_100009817552_100011934613 [0,0,0,0,0,0|4,0,0]=4 97 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1ccnc2 62a_100009817552_100010232032 [0,0,0,0,0,0|4,0,0]=4 98 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1cncc2 62a_100009817552_100000753697 [0,0,0,0,0,0|4,0,0]=4 99 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1nccc2 62a_100009817552_100009817151 [0,0,0,0,0,0|4,0,0]=4 100 B15R2.6 C[C@@H](O)CSc1coc2c1cccc2 62a_100009817552_100009812202 [0,0,0,0,0,0|4,0,0]=4 101 B15R2.6 C[C@@H](O)CSc1csc2c1cccc2 62a_100009817552_100009813928 [0,0,0,0,0,0|4,0,0]=4 102 B15R2.6 C[C@@H](O)CSc1n[nH]c2c1cccc2 62a_100009817552_100000050141 [0,0,0,0,0,0|4,0,0]=4 103 B15R2.6 [13CH3]C(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_200025704644 [0,0,0,0,0,0|2,0,2]=4 104 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [0,0,0,0,0,0|2,0,0]=2 105 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B15R2.6 [13CH3]C(=O)CCn1ccc2c1cccc2 1458a_100000186764_200025704644 [0,0,0,0,0,0|4,0,0]=4 107 B15R2.6 [13CH3]C(=O)CCn1cnc2c1cccc2 1458a_100000177575_200025704644 [0,0,0,0,0,0|3,0,1]=4 108 B14R2.3 CCCCc1c[nH]c2c1cccn2 271570a_100020621405_100011934613 [1,0,0,0,0,0|2,0,0]=3 109 B14R2.3 CCCCc1c[nH]c2c1ccnc2 271570a_100020621405_100010232032 [1,0,0,0,0,0|2,0,0]=3 110 B14R2.3 CCCCc1c[nH]c2c1cncc2 271570a_100020621405_100011934843 [1,0,0,0,0,0|2,0,0]=3 111 B14R2.3 CCCCc1c[nH]c2c1cncn2 271570a_100020621405_100009817560 [1,0,0,0,0,0|3,0,0]=4 112 B14R2.3 CCCCc1c[nH]c2c1nccc2 271570a_100020621405_100009817151 [1,0,0,0,0,0|2,0,0]=3 113 B14R2.3 CCCCc1cnc2n1cccc2 271570a_100020621405_100011219245 [1,0,0,0,0,0|2,0,1]=4 114 B14R2.3 CCCCc1cnn2c1cccc2 271570a_100020621405_100009817726 [1,0,0,0,0,0|2,0,1]=4 115 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [1,0,0,0,0,0|2,0,0]=3 116 B14R2.3 CCCCc1coc2c1nccc2 271570a_100020621405_100009889148 [1,0,0,0,0,0|3,0,0]=4 117 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [1,0,0,0,0,0|2,0,0]=3 118 B14R2.3 CCCCc1csc2c1cccn2 271570a_100020621405_100009830249 [1,0,0,0,0,0|3,0,0]=4 119 B14R2.3 CCCCc1csc2c1ccnc2 271570a_100020621405_100009817111 [1,0,0,0,0,0|3,0,0]=4 120 B14R2.3 CCCCc1csc2c1cncc2 271570a_100020621405_100010247091 [1,0,0,0,0,0|3,0,0]=4 121 B14R2.3 CCCCc1csc2c1nccc2 271570a_100020621405_100010247092 [1,0,0,0,0,0|3,0,0]=4 122 B14R2.3 CCCCc1n[nH]c2c1cccc2 271570a_100020621405_100000050141 [1,0,0,0,0,0|2,0,0]=3 123 B14R2.3 CCCCc1n[nH]c2c1cccn2 271570a_100020621405_100009888962 [1,0,0,0,0,0|3,0,0]=4 124 B14R2.3 CCCCc1n[nH]c2c1ccnc2 271570a_100020621405_100010244369 [1,0,0,0,0,0|3,0,0]=4 125 B14R2.3 CCCCc1n[nH]c2c1cncc2 271570a_100020621405_100010724670 [1,0,0,0,0,0|3,0,0]=4 126 B14R2.3 CCCCc1n[nH]c2c1nccc2 271570a_100020621405_100009817118 [1,0,0,0,0,0|3,0,0]=4 127 B14R2.3 CCCOc1csc2c1cccc2 34a_100000077758_100000210303 [1,0,0,0,0,0|3,0,0]=4 128 B14R2.3 CCCOc1csc2c1cccc2 7a_100000077758_100000210303 [1,0,0,0,0,0|3,0,0]=4 129 B14R2.3 CCCSc1c[nH]c2c1cccn2 62a_100000210303_100011934613 [1,0,0,0,0,0|3,0,0]=4 130 B14R2.3 CCCSc1c[nH]c2c1ccnc2 62a_100000210303_100010232032 [1,0,0,0,0,0|3,0,0]=4 131 B14R2.3 CCCSc1c[nH]c2c1cncc2 62a_100000210303_100000753697 [1,0,0,0,0,0|3,0,0]=4 132 B14R2.3 CCCSc1c[nH]c2c1nccc2 62a_100000210303_100009817151 [1,0,0,0,0,0|3,0,0]=4 133 B14R2.3 CCCSc1coc2c1cccc2 62a_100000210303_100009812202 [1,0,0,0,0,0|3,0,0]=4 134 B14R2.3 CCCSc1csc2c1cccc2 62a_100000210303_100009813928 [1,0,0,0,0,0|3,0,0]=4 135 B14R2.3 CCCSc1n[nH]c2c1cccc2 62a_100000210303_100000050141 [1,0,0,0,0,0|3,0,0]=4 136 B14R2.3 CCNCc1c[nH]c2c1ccnc2 270004a_100015525214_100000087688 [1,0,0,0,0,0|3,0,0]=4 137 B14R2.3 CCNCc1coc2c1cccc2 207a_100015525214_100000688544 [1,0,0,0,0,0|3,0,0]=4 138 B14R2.3 CCNCc1coc2c1cccc2 270004a_100015525214_100000688544 [1,0,0,0,0,0|3,0,0]=4 139 B14R2.3 CCNCc1csc2c1cccc2 207a_100015525214_100000239721 [1,0,0,0,0,0|3,0,0]=4 140 B14R2.3 CCNCc1csc2c1cccc2 2230a_100015525214_200000742921 [1,0,0,0,0,0|3,0,0]=4 141 B14R2.3 CCNCc1csc2c1cccc2 270004a_100015525214_100000239721 [1,0,0,0,0,0|3,0,0]=4 142 B14R2.3 CCNCc1csc2c1cccc2 34a_100000744611_100000210202 [1,0,0,0,0,0|3,0,0]=4 143 B14R2.3 CCNCc1n[nH]c2c1cccc2 207a_100015525214_100000059708 [1,0,0,0,0,0|3,0,0]=4 144 B14R2.3 CCNCc1n[nH]c2c1cccc2 270004a_100015525214_100000059708 [1,0,0,0,0,0|3,0,0]=4 145 B14R2.3 CCOCc1csc2c1cccc2 34a_100011219454_100000210202 [1,0,0,0,0,0|3,0,0]=4 146 B14R2.3 CCOCc1csc2c1cccc2 34a_100121572206_200000742921 [1,0,0,0,0,0|3,0,0]=4 147 B14R2.3 CCSCc1csc2c1cccc2 62a_100000210202_200000742921 [1,0,0,0,0,0|3,0,0]=4 148 B14R2.3 CCSCc1csc2c1cccc2 62a_200000742921_100000210202 [1,0,0,0,0,0|3,0,0]=4 149 B14R2.3 CNCCN1CCc2c1cccc2 2230a_100000741946_200000210301 [1,0,0,0,0,0|2,0,1]=4 150 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_100000211132_200000210301 [1,0,0,0,0,0|0,0,0]=1 151 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_106832991635_100011218569 [1,0,0,0,0,0|0,0,0]=1 152 B14R2.3 CNCCc1c[nH]c2c1cccc2 34a_100102657272_100011218569 [1,0,0,0,0,0|0,0,0]=1 153 B14R2.3 CNCCc1c[nH]c2c1cccc2 7a_106832991635_100011218569 [1,0,0,0,0,0|0,0,0]=1 154 B14R2.3 CNCCc1c[nH]c2c1cccn2 2230a_106832991635_100009895007 [1,0,0,0,0,0|1,0,0]=2 155 B14R2.3 CNCCc1c[nH]c2c1cccn2 7a_106832991635_100009895007 [1,0,0,0,0,0|1,0,0]=2 156 B14R2.3 CNCCc1coc2c1cccc2 2230a_100011934666_200000210301 [1,0,0,0,0,0|1,0,0]=2 157 B14R2.3 CNCCc1coc2c1cccc2 34a_100011934666_200000210301 [1,0,0,0,0,0|1,0,0]=2 158 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100000752351_200000210301 [1,0,0,0,0,0|1,0,0]=2 159 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100138415774_100011218569 [1,0,0,0,0,0|1,0,0]=2 160 B14R2.3 COCCn1ccc2c1cccc2 34a_100011926976_200000210301 [1,0,0,0,0,0|3,0,0]=4 161 B14R2.3 COCSc1c[nH]c2c1cccn2 62a_100000766300_100011934613 [1,0,0,0,0,0|3,0,0]=4 162 B14R2.3 COCSc1c[nH]c2c1ccnc2 62a_100000766300_100010232032 [1,0,0,0,0,0|3,0,0]=4 163 B14R2.3 COCSc1c[nH]c2c1cncc2 62a_100000766300_100000753697 [1,0,0,0,0,0|3,0,0]=4 164 B14R2.3 COCSc1c[nH]c2c1nccc2 62a_100000766300_100009817151 [1,0,0,0,0,0|3,0,0]=4 165 B14R2.3 COCSc1coc2c1cccc2 62a_100000766300_100009812202 [1,0,0,0,0,0|3,0,0]=4 166 B14R2.3 COCSc1csc2c1cccc2 62a_100000766300_100009813928 [1,0,0,0,0,0|3,0,0]=4 167 B14R2.3 COCSc1n[nH]c2c1cccc2 62a_100000766300_100000050141 [1,0,0,0,0,0|3,0,0]=4 168 B14R2.3 CSCCc1c[nH]c2c1cccc2 62a_200000210301_100011218569 [1,0,0,0,0,0|1,0,0]=2 169 B14R2.3 CSCCc1c[nH]c2c1cccn2 62a_200000210301_100009895007 [1,0,0,0,0,0|2,0,0]=3 170 B14R2.3 CSCOc1csc2c1cccc2 34a_100000077758_100011218213 [1,0,0,0,0,0|3,0,0]=4 171 B14R2.3 CSCSc1c[nH]c2c1cccn2 62a_100011218213_100011934613 [1,0,0,0,0,0|3,0,0]=4 172 B14R2.3 CSCSc1c[nH]c2c1ccnc2 62a_100011218213_100010232032 [1,0,0,0,0,0|3,0,0]=4 173 B14R2.3 CSCSc1c[nH]c2c1cncc2 62a_100011218213_100000753697 [1,0,0,0,0,0|3,0,0]=4 174 B14R2.3 CSCSc1c[nH]c2c1nccc2 62a_100011218213_100009817151 [1,0,0,0,0,0|3,0,0]=4 175 B14R2.3 CSCSc1coc2c1cccc2 62a_100011218213_100009812202 [1,0,0,0,0,0|3,0,0]=4 176 B14R2.3 CSCSc1csc2c1cccc2 62a_100011218213_100009813928 [1,0,0,0,0,0|3,0,0]=4 177 B14R2.3 CSCSc1n[nH]c2c1cccc2 62a_100011218213_100000050141 [1,0,0,0,0,0|3,0,0]=4 178 B14R2.3 [13CH3]NCCN1CCc2c1cccc2 2230a_100000741946_200025704644 [1,0,0,0,0,0|2,0,1]=4 179 B14R2.3 [13CH3]NCCc1c[nH]c2c1cccc2 2230a_100000211132_200025704644 [1,0,0,0,0,0|0,0,0]=1 180 B14R2.3 [13CH3]NCCc1coc2c1cccc2 2230a_100011934666_200025704644 [1,0,0,0,0,0|1,0,0]=2 181 B14R2.3 [13CH3]NCCc1coc2c1cccc2 34a_100011934666_200025704644 [1,0,0,0,0,0|1,0,0]=2 182 B14R2.3 [13CH3]OCCc1c[nH]c2c1cccc2 34a_100000752351_200025704644 [1,0,0,0,0,0|1,0,0]=2 183 B14R2.3 [13CH3]OCCn1ccc2c1cccc2 34a_100011926976_200025704644 [1,0,0,0,0,0|3,0,0]=4 184 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccc2 62a_200025704644_100011218569 [1,0,0,0,0,0|1,0,0]=2 185 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccn2 62a_200025704644_100009895007 [1,0,0,0,0,0|2,0,0]=3 186 B16R2.12 CC(C)C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210206 [0,1,0,0,0,0|1,0,1]=3 187 B16R2.12 CC(C)C(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000210206 [0,1,0,0,0,0|2,0,1]=4 188 B16R2.12 CC(C)C(=O)Cc1coc2c1cccc2 1458a_100000217546_100000210206 [0,1,0,0,0,0|2,0,1]=4 189 B16R2.12 CC(C)C(=O)Cc1csc2c1cccc2 1458a_100000210198_200000742921 [0,1,0,0,0,0|2,0,1]=4 190 B16R2.12 CC(C)C(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210206 [0,1,0,0,0,0|2,0,1]=4 191 B16R2.12 CC(C)C(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000210206 [0,1,0,0,0,0|2,0,1]=4 192 B16R2.12 CC(C)N(C)Cc1c[nH]c2c1ccnc2 270004a_200000211004_100000087688 [0,1,0,0,0,0|3,0,0]=4 193 B16R2.12 CC(C)N(C)Cc1coc2c1cccc2 270004a_200000211004_100000688544 [0,1,0,0,0,0|3,0,0]=4 194 B16R2.12 CC(C)N(C)Cc1csc2c1cccc2 269982a_200000211004_200000742921 [0,1,0,0,0,0|3,0,0]=4 195 B16R2.12 CC(C)N(C)Cc1csc2c1cccc2 270004a_200000211004_100000239721 [0,1,0,0,0,0|3,0,0]=4 196 B16R2.12 CC(C)N(C)Cc1n[nH]c2c1cccc2 270004a_200000211004_100000059708 [0,1,0,0,0,0|3,0,0]=4 197 B16R2.12 CC(Cc1c[nH]c2c1cccc2)N(C)C 270004a_100102631434_100000030300 [0,1,0,0,0,0|0,0,0]=1 198 B16R2.12 CC(Cn1nnc2c1cccc2)N(C)C 270004a_100102631434_200011245006 [0,1,0,0,0,0|2,0,1]=4 199 B16R2.12 CN(C)C(=O)C[n+]1csc2c1cccc2 11a_100102631434_100009813389 [0,1,0,0,0,0|2,0,1]=4 200 B16R2.12 CN(C)C(=O)C[n+]1csc2c1cccc2 240690a_100102631434_100009813389 [0,1,0,0,0,0|2,0,1]=4 201 B16R2.12 CN(C)C(=O)C[n+]1csc2c1cccc2 527a_100102631434_100009813389 [0,1,0,0,0,0|2,0,1]=4 202 B16R2.12 CN(C)C(=O)Cc1c[nH]c2c1cccc2 11a_100102631434_100000183835 [0,1,0,0,0,0|0,0,1]=2 203 B16R2.12 CN(C)C(=O)Cc1c[nH]c2c1cccc2 240690a_100102631434_100000183835 [0,1,0,0,0,0|0,0,1]=2 204 B16R2.12 CN(C)C(=O)Cc1c[nH]c2c1cccc2 527a_100102631434_100000183835 [0,1,0,0,0,0|0,0,1]=2 205 B16R2.12 CN(C)C(=O)Cc1c[nH]c2c1cccn2 11a_100102631434_100000687015 [0,1,0,0,0,0|1,0,1]=3 206 B16R2.12 CN(C)C(=O)Cc1c[nH]c2c1cccn2 240690a_100102631434_100000687015 [0,1,0,0,0,0|1,0,1]=3 207 B16R2.12 CN(C)C(=O)Cc1c[nH]c2c1cccn2 527a_100102631434_100000687015 [0,1,0,0,0,0|1,0,1]=3 208 B16R2.12 CN(C)C(=O)Cc1cnc2n1cccc2 11a_100102631434_100000070654 [0,1,0,0,0,0|1,0,2]=4 209 B16R2.12 CN(C)C(=O)Cc1cnc2n1cccc2 240690a_100102631434_100000070654 [0,1,0,0,0,0|1,0,2]=4 210 B16R2.12 CN(C)C(=O)Cc1coc2c1cccc2 11a_100102631434_100000217546 [0,1,0,0,0,0|1,0,1]=3 211 B16R2.12 CN(C)C(=O)Cc1coc2c1cccc2 1626a_100102631434_100000217546 [0,1,0,0,0,0|1,0,1]=3 212 B16R2.12 CN(C)C(=O)Cc1coc2c1cccc2 240690a_100102631434_100000217546 [0,1,0,0,0,0|1,0,1]=3 213 B16R2.12 CN(C)C(=O)Cc1coc2c1cccc2 527a_100102631434_100000217546 [0,1,0,0,0,0|1,0,1]=3 214 B16R2.12 CN(C)C(=O)Cc1csc2c1cccc2 11a_100102631434_100000741031 [0,1,0,0,0,0|1,0,1]=3 215 B16R2.12 CN(C)C(=O)Cc1csc2c1cccc2 1626a_100102631434_100000741031 [0,1,0,0,0,0|1,0,1]=3 216 B16R2.12 CN(C)C(=O)Cc1csc2c1cccc2 240690a_100102631434_100000741031 [0,1,0,0,0,0|1,0,1]=3 217 B16R2.12 CN(C)C(=O)Cc1csc2c1cccc2 527a_100102631434_100000741031 [0,1,0,0,0,0|1,0,1]=3 218 B16R2.12 CN(C)C(=O)Cc1n[nH]c2c1cccc2 240690a_100102631434_100000044345 [0,1,0,0,0,0|1,0,1]=3 219 B16R2.12 CN(C)C(=O)Cc1n[nH]c2c1cccc2 527a_100102631434_100000044345 [0,1,0,0,0,0|1,0,1]=3 220 B16R2.12 CN(C)C(=O)Cc1noc2c1cccc2 11a_100102631434_100000205995 [0,1,0,0,0,0|2,0,1]=4 221 B16R2.12 CN(C)C(=O)Cc1noc2c1cccc2 1626a_100102631434_100000205995 [0,1,0,0,0,0|2,0,1]=4 222 B16R2.12 CN(C)C(=O)Cc1noc2c1cccc2 240690a_100102631434_100000205995 [0,1,0,0,0,0|2,0,1]=4 223 B16R2.12 CN(C)C(=O)Cn1ccc2c1cccc2 11a_100102631434_100000743657 [0,1,0,0,0,0|2,0,1]=4 224 B16R2.12 CN(C)C(=O)Cn1ccc2c1cccc2 1626a_100102631434_100000743657 [0,1,0,0,0,0|2,0,1]=4 225 B16R2.12 CN(C)C(=O)Cn1ccc2c1cccc2 240690a_100102631434_100000743657 [0,1,0,0,0,0|2,0,1]=4 226 B16R2.12 CN(C)C(=O)Cn1ccc2c1cccc2 527a_100102631434_100000743657 [0,1,0,0,0,0|2,0,1]=4 227 B16R2.12 CN(C)C(=O)Cn1cnc2c1cccc2 240690a_100102631434_100025771165 [0,1,0,0,0,0|1,0,2]=4 228 B16R2.14 C#CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211873_100011218569 [0,1,0,0,0,0|2,0,1]=4 229 B16R2.14 C=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000185746_100011218569 [0,1,0,0,0,0|2,0,1]=4 230 B16R2.14 CC(CF)OCc1csc2c1cccc2 34a_100016041109_200000742921 [0,1,0,0,0,0|3,0,0]=4 231 B16R2.14 CC(CN)OCc1csc2c1cccc2 34a_100000210904_200000742921 [0,1,0,0,0,0|3,0,0]=4 232 B16R2.14 CC(CO)NCc1csc2c1cccc2 34a_100000744611_100012180447 [0,1,0,0,0,0|3,0,0]=4 233 B16R2.14 CC(CO)OCc1csc2c1cccc2 34a_100011219454_100012180447 [0,1,0,0,0,0|3,0,0]=4 234 B16R2.14 CC(CO)SCc1csc2c1cccc2 62a_100012180447_200000742921 [0,1,0,0,0,0|3,0,0]=4 235 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210414_100011218569 [0,1,0,0,0,0|2,0,0]=3 236 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210202 [0,1,0,0,0,0|2,0,0]=3 237 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100000210414_100009895007 [0,1,0,0,0,0|3,0,0]=4 238 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000210202 [0,1,0,0,0,0|3,0,0]=4 239 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210414 [0,1,0,0,0,0|3,0,0]=4 240 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210414 [0,1,0,0,0,0|3,0,0]=4 241 B16R2.14 CCC(C)COc1csc2c1cccc2 34a_100000077758_100000748023 [0,1,0,0,0,0|3,0,0]=4 242 B16R2.14 CCC(C)COc1csc2c1cccc2 7a_100000077758_100000748023 [0,1,0,0,0,0|3,0,0]=4 243 B16R2.14 CCC(C)CSc1c[nH]c2c1cccn2 62a_100000748023_100011934613 [0,1,0,0,0,0|3,0,0]=4 244 B16R2.14 CCC(C)CSc1c[nH]c2c1ccnc2 62a_100000748023_100010232032 [0,1,0,0,0,0|3,0,0]=4 245 B16R2.14 CCC(C)CSc1c[nH]c2c1cncc2 62a_100000748023_100000753697 [0,1,0,0,0,0|3,0,0]=4 246 B16R2.14 CCC(C)CSc1c[nH]c2c1nccc2 62a_100000748023_100009817151 [0,1,0,0,0,0|3,0,0]=4 247 B16R2.14 CCC(C)CSc1coc2c1cccc2 62a_100000748023_100009812202 [0,1,0,0,0,0|3,0,0]=4 248 B16R2.14 CCC(C)CSc1n[nH]c2c1cccc2 62a_100000748023_100000050141 [0,1,0,0,0,0|3,0,0]=4 249 B16R2.14 CCC(C)NCc1c[nH]c2c1ccnc2 270004a_100000209981_100000087688 [0,1,0,0,0,0|3,0,0]=4 250 B16R2.14 CCC(C)NCc1coc2c1cccc2 207a_100000209981_100000688544 [0,1,0,0,0,0|3,0,0]=4 251 B16R2.14 CCC(C)NCc1coc2c1cccc2 270004a_100000209981_100000688544 [0,1,0,0,0,0|3,0,0]=4 252 B16R2.14 CCC(C)NCc1csc2c1cccc2 207a_100000209981_100000239721 [0,1,0,0,0,0|3,0,0]=4 253 B16R2.14 CCC(C)NCc1csc2c1cccc2 2230a_100000209981_200000742921 [0,1,0,0,0,0|3,0,0]=4 254 B16R2.14 CCC(C)NCc1csc2c1cccc2 270004a_100000209981_100000239721 [0,1,0,0,0,0|3,0,0]=4 255 B16R2.14 CCC(C)NCc1csc2c1cccc2 34a_100000744611_100011215416 [0,1,0,0,0,0|3,0,0]=4 256 B16R2.14 CCC(C)NCc1n[nH]c2c1cccc2 207a_100000209981_100000059708 [0,1,0,0,0,0|3,0,0]=4 257 B16R2.14 CCC(C)NCc1n[nH]c2c1cccc2 270004a_100000209981_100000059708 [0,1,0,0,0,0|3,0,0]=4 258 B16R2.14 CCC(C)OCc1csc2c1cccc2 34a_100011219454_100011215416 [0,1,0,0,0,0|3,0,0]=4 259 B16R2.14 CCC(C)SCc1csc2c1cccc2 62a_100000758301_200000742921 [0,1,0,0,0,0|3,0,0]=4 260 B16R2.14 CCC(C)SCc1csc2c1cccc2 62a_200000742921_100000758301 [0,1,0,0,0,0|3,0,0]=4 261 B16R2.14 CCN(C)CCc1c[nH]c2c1cccc2 2230a_100000225621_100011218569 [0,1,0,0,0,0|0,0,0]=1 262 B16R2.14 CCN(C)CCc1c[nH]c2c1cccc2 269982a_100000225621_100011218569 [0,1,0,0,0,0|0,0,0]=1 263 B16R2.14 CCN(C)CCc1c[nH]c2c1cccn2 2230a_100000225621_100009895007 [0,1,0,0,0,0|1,0,0]=2 264 B16R2.14 CCN(C)CCc1c[nH]c2c1cccn2 269982a_100000225621_100009895007 [0,1,0,0,0,0|1,0,0]=2 265 B16R2.14 CCN(C)CCn1ccc2c1cccc2 2230a_100015183269_100000210202 [0,1,0,0,0,0|2,0,0]=3 266 B16R2.14 CCN(C)CCn1ccc2c1cccc2 269982a_100015183269_100000204670 [0,1,0,0,0,0|2,0,0]=3 267 B16R2.14 CC[C@H](C)COc1csc2c1cccc2 34a_100000077758_100009816398 [0,1,0,0,0,0|3,0,0]=4 268 B16R2.14 CC[C@H](C)COc1csc2c1cccc2 7a_100000077758_100009816398 [0,1,0,0,0,0|3,0,0]=4 269 B16R2.14 CC[C@H](C)CSc1c[nH]c2c1cccn2 62a_100009816398_100011934613 [0,1,0,0,0,0|3,0,0]=4 270 B16R2.14 CC[C@H](C)CSc1c[nH]c2c1ccnc2 62a_100009816398_100010232032 [0,1,0,0,0,0|3,0,0]=4 271 B16R2.14 CC[C@H](C)CSc1c[nH]c2c1cncc2 62a_100009816398_100000753697 [0,1,0,0,0,0|3,0,0]=4 272 B16R2.14 CC[C@H](C)CSc1c[nH]c2c1nccc2 62a_100009816398_100009817151 [0,1,0,0,0,0|3,0,0]=4 273 B16R2.14 CC[C@H](C)CSc1coc2c1cccc2 62a_100009816398_100009812202 [0,1,0,0,0,0|3,0,0]=4 274 B16R2.14 CC[C@H](C)CSc1n[nH]c2c1cccc2 62a_100009816398_100000050141 [0,1,0,0,0,0|3,0,0]=4 275 B16R2.14 CN(CF)CCn1ccc2c1cccc2 269982a_100015183269_100015361967 [0,1,0,0,0,0|2,0,0]=3 276 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 11a_106832991635_100000211458 [0,1,0,0,0,0|2,0,0]=3 277 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 1626a_100102657272_100000211458 [0,1,0,0,0,0|2,0,0]=3 278 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 240690a_100102657272_100000211458 [0,1,0,0,0,0|2,0,0]=3 279 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 527a_100102657272_100000211458 [0,1,0,0,0,0|2,0,0]=3 280 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccn2 11a_106832991635_100102525369 [0,1,0,0,0,0|3,0,0]=4 281 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccn2 240690a_100102657272_100102525369 [0,1,0,0,0,0|3,0,0]=4 282 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccn2 527a_100102657272_100102525369 [0,1,0,0,0,0|3,0,0]=4 283 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 2708a_100015202335_106832991635 [0,1,0,0,0,0|3,0,0]=4 284 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 2708a_100102657272_100015202335 [0,1,0,0,0,0|3,0,0]=4 285 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 273464a_100015202335_100102657272 [0,1,0,0,0,0|3,0,0]=4 286 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 273464a_100102657272_100015202335 [0,1,0,0,0,0|3,0,0]=4 287 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 512a_106832991638_100015202335 [0,1,0,0,0,0|3,0,0]=4 288 B16R2.14 CNC(C)CCc1c[nH]c2c1cccc2 270004a_106832991635_100102524982 [0,1,0,0,0,0|1,0,0]=2 289 B16R2.14 COC(C)SCc1csc2c1cccc2 62a_100009879195_200000742921 [0,1,0,0,0,0|3,0,0]=4 290 B16R2.14 COC(C)SCc1csc2c1cccc2 62a_200000742921_100009879195 [0,1,0,0,0,0|3,0,0]=4 291 B16R2.14 C[C@@H](CO)COc1csc2c1cccc2 34a_100000077758_100000059175 [0,1,0,0,0,0|3,0,0]=4 292 B16R2.14 C[C@@H](CO)COc1csc2c1cccc2 7a_100000077758_100000059175 [0,1,0,0,0,0|3,0,0]=4 293 B16R2.14 C[C@@H](CO)CSc1c[nH]c2c1cccn2 62a_100000059175_100011934613 [0,1,0,0,0,0|3,0,0]=4 294 B16R2.14 C[C@@H](CO)CSc1c[nH]c2c1ccnc2 62a_100000059175_100010232032 [0,1,0,0,0,0|3,0,0]=4 295 B16R2.14 C[C@@H](CO)CSc1c[nH]c2c1cncc2 62a_100000059175_100000753697 [0,1,0,0,0,0|3,0,0]=4 296 B16R2.14 C[C@@H](CO)CSc1c[nH]c2c1nccc2 62a_100000059175_100009817151 [0,1,0,0,0,0|3,0,0]=4 297 B16R2.14 C[C@@H](CO)CSc1coc2c1cccc2 62a_100000059175_100009812202 [0,1,0,0,0,0|3,0,0]=4 298 B16R2.14 C[C@@H](CO)CSc1csc2c1cccc2 62a_100000059175_100009813928 [0,1,0,0,0,0|3,0,0]=4 299 B16R2.14 C[C@@H](CO)CSc1n[nH]c2c1cccc2 62a_100000059175_100000050141 [0,1,0,0,0,0|3,0,0]=4 300 B16R2.14 C[C@H](CF)NCc1c[nH]c2c1ccnc2 270004a_100102880703_100000087688 [0,1,0,0,0,0|3,0,0]=4 301 B16R2.14 C[C@H](CF)NCc1coc2c1cccc2 207a_100102880703_100000688544 [0,1,0,0,0,0|3,0,0]=4 302 B16R2.14 C[C@H](CF)NCc1coc2c1cccc2 270004a_100102880703_100000688544 [0,1,0,0,0,0|3,0,0]=4 303 B16R2.14 C[C@H](CF)NCc1csc2c1cccc2 207a_100102880703_100000239721 [0,1,0,0,0,0|3,0,0]=4 304 B16R2.14 C[C@H](CF)NCc1csc2c1cccc2 270004a_100102880703_100000239721 [0,1,0,0,0,0|3,0,0]=4 305 B16R2.14 C[C@H](CF)NCc1n[nH]c2c1cccc2 207a_100102880703_100000059708 [0,1,0,0,0,0|3,0,0]=4 306 B16R2.14 C[C@H](CF)NCc1n[nH]c2c1cccc2 270004a_100102880703_100000059708 [0,1,0,0,0,0|3,0,0]=4 307 B16R2.14 C[C@H](CO)NCc1c[nH]c2c1ccnc2 270004a_100000737577_100000087688 [0,1,0,0,0,0|3,0,0]=4 308 B16R2.14 C[C@H](CO)NCc1coc2c1cccc2 207a_100000737577_100000688544 [0,1,0,0,0,0|3,0,0]=4 309 B16R2.14 C[C@H](CO)NCc1coc2c1cccc2 270004a_100000737577_100000688544 [0,1,0,0,0,0|3,0,0]=4 310 B16R2.14 C[C@H](CO)NCc1csc2c1cccc2 207a_100000737577_100000239721 [0,1,0,0,0,0|3,0,0]=4 311 B16R2.14 C[C@H](CO)NCc1csc2c1cccc2 2230a_100000737577_200000742921 [0,1,0,0,0,0|3,0,0]=4 312 B16R2.14 C[C@H](CO)NCc1csc2c1cccc2 270004a_100000737577_100000239721 [0,1,0,0,0,0|3,0,0]=4 313 B16R2.14 C[C@H](CO)NCc1n[nH]c2c1cccc2 207a_100000737577_100000059708 [0,1,0,0,0,0|3,0,0]=4 314 B16R2.14 C[C@H](CO)NCc1n[nH]c2c1cccc2 270004a_100000737577_100000059708 [0,1,0,0,0,0|3,0,0]=4 315 B16R2.14 C[C@H](CO)SCc1csc2c1cccc2 62a_100016084084_200000742921 [0,1,0,0,0,0|3,0,0]=4 316 B16R2.14 C[C@H](CO)SCc1csc2c1cccc2 62a_200000742921_100016084084 [0,1,0,0,0,0|3,0,0]=4 317 B16R2.14 O=C(CF)CCc1c[nH]c2c1cccc2 1458a_100000211458_100015361967 [0,1,0,0,0,0|2,0,0]=3 318 B16R2.14 O=C(CF)CCc1c[nH]c2c1cccn2 1458a_100102525369_100015361967 [0,1,0,0,0,0|3,0,0]=4 319 B16R2.14 O=C(CO)CCc1c[nH]c2c1cccc2 1458a_100000210174_100011218569 [0,1,0,0,0,0|2,0,0]=3 320 B16R2.14 O=C(CO)CCc1c[nH]c2c1cccn2 1458a_100000210174_100009895007 [0,1,0,0,0,0|3,0,0]=4 321 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210174 [0,1,0,0,0,0|3,0,0]=4 322 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210174 [0,1,0,0,0,0|3,0,0]=4 323 B16R2.520 CC(=O)CC(=O)c1c[nH]c2c1cccc2 1458a_100000070787_100000183220 [0,1,0,0,0,0|2,0,1]=4 324 B16R2.520 CC(C)CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210624 [0,1,0,0,0,0|2,0,1]=4 325 B16R2.520 CC(C)C[C@H](N)c1c[nH]c2c1cccn2 271570a_100015190218_100011934613 [0,1,0,0,0,0|2,0,0]=3 326 B16R2.520 CC(C)C[C@H](N)c1c[nH]c2c1ccnc2 271570a_100015190218_100010232032 [0,1,0,0,0,0|2,0,0]=3 327 B16R2.520 CC(C)C[C@H](N)c1c[nH]c2c1cncc2 271570a_100015190218_100011934843 [0,1,0,0,0,0|2,0,0]=3 328 B16R2.520 CC(C)C[C@H](N)c1c[nH]c2c1cncn2 271570a_100015190218_100009817560 [0,1,0,0,0,0|3,0,0]=4 329 B16R2.520 CC(C)C[C@H](N)c1c[nH]c2c1nccc2 271570a_100015190218_100009817151 [0,1,0,0,0,0|2,0,0]=3 330 B16R2.520 CC(C)C[C@H](N)c1cnc2n1cccc2 271570a_100015190218_100011219245 [0,1,0,0,0,0|2,0,1]=4 331 B16R2.520 CC(C)C[C@H](N)c1cnn2c1cccc2 271570a_100015190218_100009817726 [0,1,0,0,0,0|2,0,1]=4 332 B16R2.520 CC(C)C[C@H](N)c1coc2c1cccc2 271570a_100015190218_100009812202 [0,1,0,0,0,0|2,0,0]=3 333 B16R2.520 CC(C)C[C@H](N)c1coc2c1nccc2 271570a_100015190218_100009889148 [0,1,0,0,0,0|3,0,0]=4 334 B16R2.520 CC(C)C[C@H](N)c1csc2c1cccc2 271570a_100015190218_100009813928 [0,1,0,0,0,0|2,0,0]=3 335 B16R2.520 CC(C)C[C@H](N)c1csc2c1cccn2 271570a_100015190218_100009830249 [0,1,0,0,0,0|3,0,0]=4 336 B16R2.520 CC(C)C[C@H](N)c1csc2c1ccnc2 271570a_100015190218_100009817111 [0,1,0,0,0,0|3,0,0]=4 337 B16R2.520 CC(C)C[C@H](N)c1csc2c1cncc2 271570a_100015190218_100010247091 [0,1,0,0,0,0|3,0,0]=4 338 B16R2.520 CC(C)C[C@H](N)c1csc2c1nccc2 271570a_100015190218_100010247092 [0,1,0,0,0,0|3,0,0]=4 339 B16R2.520 CC(C)C[C@H](N)c1n[nH]c2c1cccc2 271570a_100015190218_100000050141 [0,1,0,0,0,0|2,0,0]=3 340 B16R2.520 CC(C)C[C@H](N)c1n[nH]c2c1cccn2 271570a_100015190218_100009888962 [0,1,0,0,0,0|3,0,0]=4 341 B16R2.520 CC(C)C[C@H](N)c1n[nH]c2c1ccnc2 271570a_100015190218_100010244369 [0,1,0,0,0,0|3,0,0]=4 342 B16R2.520 CC(C)C[C@H](N)c1n[nH]c2c1cncc2 271570a_100015190218_100010724670 [0,1,0,0,0,0|3,0,0]=4 343 B16R2.520 CC(C)C[C@H](N)c1n[nH]c2c1nccc2 271570a_100015190218_100009817118 [0,1,0,0,0,0|3,0,0]=4 344 B16R2.520 CN(C)CC(=O)c1c[nH]c2c1cccc2 2230a_100102631434_100000183220 [0,1,0,0,0,0|0,0,1]=2 345 B16R2.520 CN(C)CC(=O)c1c[nH]c2c1cccc2 269982a_100102631434_100000183220 [0,1,0,0,0,0|0,0,1]=2 346 B16R2.520 CN(C)CC(=O)c1coc2c1cccc2 269982a_100102631434_100000233777 [0,1,0,0,0,0|1,0,1]=3 347 B16R2.520 CN(C)CC(=O)c1csc2c1cccc2 2230a_100102631434_100000689783 [0,1,0,0,0,0|1,0,1]=3 348 B16R2.520 CN(C)CC(=O)c1csc2c1cccc2 269982a_100102631434_100000689783 [0,1,0,0,0,0|1,0,1]=3 349 B16R2.2947 CC(C)(C)COc1csc2c1cccc2 34a_100000077758_100011219605 [0,1,0,0,0,0|3,0,0]=4 350 B16R2.2947 CC(C)(C)CSc1c[nH]c2c1cccn2 62a_100011219605_100011934613 [0,1,0,0,0,0|3,0,0]=4 351 B16R2.2947 CC(C)(C)CSc1c[nH]c2c1ccnc2 62a_100011219605_100010232032 [0,1,0,0,0,0|3,0,0]=4 352 B16R2.2947 CC(C)(C)CSc1c[nH]c2c1cncc2 62a_100011219605_100000753697 [0,1,0,0,0,0|3,0,0]=4 353 B16R2.2947 CC(C)(C)CSc1c[nH]c2c1nccc2 62a_100011219605_100009817151 [0,1,0,0,0,0|3,0,0]=4 354 B16R2.2947 CC(C)(C)CSc1coc2c1cccc2 62a_100011219605_100009812202 [0,1,0,0,0,0|3,0,0]=4 355 B16R2.2947 CC(C)(C)CSc1n[nH]c2c1cccc2 62a_100011219605_100000050141 [0,1,0,0,0,0|3,0,0]=4 356 B16R2.2947 CC(C)(C)NCc1coc2c1cccc2 207a_100000715429_100000688544 [0,1,0,0,0,0|3,0,0]=4 357 B16R2.2947 CC(C)(C)NCc1csc2c1cccc2 207a_100000715429_100000239721 [0,1,0,0,0,0|3,0,0]=4 358 B16R2.2947 CC(C)(C)NCc1csc2c1cccc2 2230a_100000715429_200000742921 [0,1,0,0,0,0|3,0,0]=4 359 B16R2.2947 CC(C)(C)NCc1csc2c1cccc2 34a_100000744611_100000210625 [0,1,0,0,0,0|3,0,0]=4 360 B16R2.2947 CC(C)(C)NCc1n[nH]c2c1cccc2 207a_100000715429_100000059708 [0,1,0,0,0,0|3,0,0]=4 361 B16R2.2947 CC(C)(C)OCc1csc2c1cccc2 34a_100011219454_100000210625 [0,1,0,0,0,0|3,0,0]=4 362 B16R2.2947 CC(C)(C)OCc1csc2c1cccc2 34a_100015890283_200000742921 [0,1,0,0,0,0|3,0,0]=4 363 B16R2.2947 CC(C)(C)SCc1csc2c1cccc2 62a_100000211941_200000742921 [0,1,0,0,0,0|3,0,0]=4 364 B16R2.2947 CC(C)(C)SCc1csc2c1cccc2 62a_200000742921_100000211941 [0,1,0,0,0,0|3,0,0]=4 365 B16R2.2947 CC(C)(F)COc1csc2c1cccc2 34a_100000077758_100011997219 [0,1,0,0,0,0|3,0,0]=4 366 B16R2.2947 CC(C)(F)CSc1c[nH]c2c1cccn2 62a_100011997219_100011934613 [0,1,0,0,0,0|3,0,0]=4 367 B16R2.2947 CC(C)(F)CSc1c[nH]c2c1ccnc2 62a_100011997219_100010232032 [0,1,0,0,0,0|3,0,0]=4 368 B16R2.2947 CC(C)(F)CSc1c[nH]c2c1cncc2 62a_100011997219_100000753697 [0,1,0,0,0,0|3,0,0]=4 369 B16R2.2947 CC(C)(F)CSc1c[nH]c2c1nccc2 62a_100011997219_100009817151 [0,1,0,0,0,0|3,0,0]=4 370 B16R2.2947 CC(C)(F)CSc1coc2c1cccc2 62a_100011997219_100009812202 [0,1,0,0,0,0|3,0,0]=4 371 B16R2.2947 CC(C)(F)CSc1csc2c1cccc2 62a_100011997219_100009813928 [0,1,0,0,0,0|3,0,0]=4 372 B16R2.2947 CC(C)(F)CSc1n[nH]c2c1cccc2 62a_100011997219_100000050141 [0,1,0,0,0,0|3,0,0]=4 373 B16R2.2947 CC(C)(O)COc1csc2c1cccc2 34a_100000077758_100000764493 [0,1,0,0,0,0|3,0,0]=4 374 B16R2.2947 CC(C)(O)COc1csc2c1cccc2 7a_100000077758_100000764493 [0,1,0,0,0,0|3,0,0]=4 375 B16R2.2947 CC(C)(O)CSc1c[nH]c2c1cccn2 62a_100000764493_100011934613 [0,1,0,0,0,0|3,0,0]=4 376 B16R2.2947 CC(C)(O)CSc1c[nH]c2c1ccnc2 62a_100000764493_100010232032 [0,1,0,0,0,0|3,0,0]=4 377 B16R2.2947 CC(C)(O)CSc1c[nH]c2c1cncc2 62a_100000764493_100000753697 [0,1,0,0,0,0|3,0,0]=4 378 B16R2.2947 CC(C)(O)CSc1c[nH]c2c1nccc2 62a_100000764493_100009817151 [0,1,0,0,0,0|3,0,0]=4 379 B16R2.2947 CC(C)(O)CSc1coc2c1cccc2 62a_100000764493_100009812202 [0,1,0,0,0,0|3,0,0]=4 380 B16R2.2947 CC(C)(O)CSc1csc2c1cccc2 62a_100000764493_100009813928 [0,1,0,0,0,0|3,0,0]=4 381 B16R2.2947 CC(C)(O)CSc1n[nH]c2c1cccc2 62a_100000764493_100000050141 [0,1,0,0,0,0|3,0,0]=4 382 B16R2.2947 CS(=O)(=O)NCc1c[nH]c2c1cccc2 40a_100015202335_100000738038 [0,1,0,0,0,0|3,0,0]=4 383 B16R2.2947 C[N+](C)(C)CSc1c[nH]c2c1cccn2 62a_200000036245_100011934613 [0,1,0,0,0,0|2,0,1]=4 384 B16R2.2947 C[N+](C)(C)CSc1c[nH]c2c1ccnc2 62a_200000036245_100010232032 [0,1,0,0,0,0|2,0,1]=4 385 B16R2.2947 C[N+](C)(C)CSc1c[nH]c2c1cncc2 62a_200000036245_100000753697 [0,1,0,0,0,0|2,0,1]=4 386 B16R2.2947 C[N+](C)(C)CSc1c[nH]c2c1nccc2 62a_200000036245_100009817151 [0,1,0,0,0,0|2,0,1]=4 387 B16R2.2947 C[N+](C)(C)CSc1coc2c1cccc2 62a_200000036245_100009812202 [0,1,0,0,0,0|2,0,1]=4 388 B16R2.2947 C[N+](C)(C)CSc1csc2c1cccc2 62a_200000036245_100009813928 [0,1,0,0,0,0|2,0,1]=4 389 B16R2.2947 C[N+](C)(C)CSc1n[nH]c2c1cccc2 62a_200000036245_100000050141 [0,1,0,0,0,0|2,0,1]=4 390 B16R2.2947 C[Si](C)(C)COc1csc2c1cccc2 7a_100000077758_100000233785 [0,1,0,0,0,0|3,0,0]=4 391 B16R2.2947 C[Si](C)(C)CSc1c[nH]c2c1cccn2 62a_100000037933_100011934613 [0,1,0,0,0,0|3,0,0]=4 392 B16R2.2947 C[Si](C)(C)CSc1c[nH]c2c1ccnc2 62a_100000037933_100010232032 [0,1,0,0,0,0|3,0,0]=4 393 B16R2.2947 C[Si](C)(C)CSc1c[nH]c2c1cncc2 62a_100000037933_100000753697 [0,1,0,0,0,0|3,0,0]=4 394 B16R2.2947 C[Si](C)(C)CSc1c[nH]c2c1nccc2 62a_100000037933_100009817151 [0,1,0,0,0,0|3,0,0]=4 395 B16R2.2947 C[Si](C)(C)CSc1coc2c1cccc2 62a_100000037933_100009812202 [0,1,0,0,0,0|3,0,0]=4 396 B16R2.2947 C[Si](C)(C)CSc1csc2c1cccc2 62a_100000037933_100009813928 [0,1,0,0,0,0|3,0,0]=4 397 B16R2.2947 C[Si](C)(C)CSc1n[nH]c2c1cccc2 62a_100000037933_100000050141 [0,1,0,0,0,0|3,0,0]=4 398 B16R2.2976 CC(C)CSc1c[nH]c2c1ccc(n2)Cl 62a_100000210624_100010168512 [0,1,0,0,0,0|3,0,0]=4 399 B16R2.2976 CC(C)CSc1c[nH]c2c1ccc(n2)F 62a_100000210624_100010168364 [0,1,0,0,0,0|3,0,0]=4 400 B16R2.2976 CC(C)CSc1c[nH]c2c1cnc(c2)Br 62a_100000210624_100010206817 [0,1,0,0,0,0|3,0,0]=4 401 B16R2.2976 CC(C)CSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000210760 [0,1,0,0,0,0|3,0,0]=4 402 B16R2.2976 CC(C)CSc1c[nH]c2c1cnc(c2)Cl 62a_100000210624_100010206812 [0,1,0,0,0,0|3,0,0]=4 403 B16R2.2976 CC(C)CSc1c[nH]c2c1ncc(c2)Br 62a_100000210624_100010208019 [0,1,0,0,0,0|3,0,0]=4 404 B16R2.2976 CC(C)CSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000210760 [0,1,0,0,0,0|3,0,0]=4 405 B16R2.2976 CC(C)CSc1n[nH]c2c1ccc(c2)Br 62a_100000210624_100010186045 [0,1,0,0,0,0|3,0,0]=4 406 B16R2.2976 CC(C)CSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000210760 [0,1,0,0,0,0|3,0,0]=4 407 B16R2.2976 CC(C)CSc1n[nH]c2c1ccc(c2)Cl 62a_100000210624_100000049627 [0,1,0,0,0,0|3,0,0]=4 408 B16R2.2976 CC(C)CSc1n[nH]c2c1ccc(c2)F 62a_100000210624_100000049990 [0,1,0,0,0,0|3,0,0]=4 409 B16R2.2976 CC(C)CSc1n[nH]c2c1ccc(c2)N 62a_100000210624_100009816878 [0,1,0,0,0,0|3,0,0]=4 410 B16R2.2976 CC(C)NCc1n[nH]c2c1ccc(c2)Br 207a_100138425928_100009817233 [0,1,0,0,0,0|3,0,0]=4 411 B16R2.2976 CC(C)NCc1n[nH]c2c1ccc(c2)Cl 207a_100138425928_100000086628 [0,1,0,0,0,0|3,0,0]=4 412 B16R2.2976 CC(C)NCc1n[nH]c2c1ccc(c2)F 207a_100138425928_100000086633 [0,1,0,0,0,0|3,0,0]=4 413 B16R2.2976 Cc1ccc2c(n[nH]c2c1)SCC(C)C 62a_100000210624_100000049534 [0,1,0,0,0,0|3,0,0]=4 414 B16R2.4003 CC(=O)CCn1c(=O)[nH]c2c1cccc2 1458a_100000070787_203549783246 [0,1,0,0,0,0|3,0,0]=4 415 B16R2.4003 CC(C)CSC1C(=O)Nc2c1cccc2 62a_100000210624_200009996675 [0,1,0,0,0,0|2,0,1]=4 416 B16R2.4003 CC(C)NN=C1C(=O)Nc2c1cccc2 4a_100000741168_100000185742 [0,1,0,0,0,0|3,0,0]=4 417 B16R2.4003 CN(C)CCn1c(=O)[nH]c2c1cccc2 2230a_100102631434_203549783246 [0,1,0,0,0,0|1,0,0]=2 418 B16R2.4003 CN(C)CCn1c(=O)[nH]c2c1cccc2 269982a_100102631434_203549783246 [0,1,0,0,0,0|1,0,0]=2 419 B16R2.4003 Cc1[nH]c2ncccc2c1SCC(C)C 62a_100000210624_100010174266 [0,1,0,0,0,0|3,0,0]=4 420 B16R2.4003 Cc1oc2ccccc2c1SCC(C)C 62a_100000210624_200010236113 [0,1,0,0,0,0|3,0,0]=4 421 B16R2.4003 Cc1sc2ccccc2c1CNC(C)C 207a_100138425928_100000066825 [0,1,0,0,0,0|3,0,0]=4 422 B16R2.4003 Cc1sc2ccccc2c1SCC(C)C 62a_100000210624_100010002616 [0,1,0,0,0,0|3,0,0]=4 423 B16R2.4003 Cc1sc2ccccc2c1SCC(C)C 62a_100010002616_100000210760 [0,1,0,0,0,0|3,0,0]=4 424 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [0,1,0,0,0,0|2,0,0]=3 425 B16R2.15551 CC(C)CSc1c[nH]c2c1cc(cn2)Br 62a_100000210624_100011290788 [0,1,0,0,0,0|3,0,0]=4 426 B16R2.15551 CC(C)CSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000210760 [0,1,0,0,0,0|3,0,0]=4 427 B16R2.15551 CC(C)CSc1c[nH]c2c1cc(cn2)Cl 62a_100000210624_100000050100 [0,1,0,0,0,0|3,0,0]=4 428 B16R2.15551 CC(C)CSc1c[nH]c2c1cc(cn2)F 62a_100000210624_100010168383 [0,1,0,0,0,0|3,0,0]=4 429 B16R2.15551 CC(C)CSc1c[nH]c2c1cc(cn2)N 62a_100000210624_100010168510 [0,1,0,0,0,0|3,0,0]=4 430 B16R2.15551 CC(C)CSc1c[nH]c2c1cc(nc2)Cl 62a_100000210624_100010168685 [0,1,0,0,0,0|3,0,0]=4 431 B16R2.15551 CC(C)CSc1c[nH]c2c1nc(cc2)Br 62a_100000210624_100010168532 [0,1,0,0,0,0|3,0,0]=4 432 B16R2.15551 CC(C)CSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000210760 [0,1,0,0,0,0|3,0,0]=4 433 B16R2.15551 CC(C)CSc1c[nH]c2c1nc(cc2)Cl 62a_100000210624_100010168529 [0,1,0,0,0,0|3,0,0]=4 434 B16R2.15551 CC(C)CSc1csc2c1cc(cc2)N 62a_100000210624_100011178648 [0,1,0,0,0,0|3,0,0]=4 435 B16R2.15551 CC(C)CSc1csc2c1cc(cc2)N 62a_100011178648_100000210760 [0,1,0,0,0,0|3,0,0]=4 436 B16R2.15551 CC(C)CSc1n[nH]c2c1cc(cc2)Br 62a_100000210624_100010186058 [0,1,0,0,0,0|3,0,0]=4 437 B16R2.15551 CC(C)CSc1n[nH]c2c1cc(cc2)Cl 62a_100000210624_100010174404 [0,1,0,0,0,0|3,0,0]=4 438 B16R2.15551 CC(C)CSc1n[nH]c2c1cc(cc2)F 62a_100000210624_100011934747 [0,1,0,0,0,0|3,0,0]=4 439 B16R2.15551 CC(C)CSc1n[nH]c2c1cc(cc2)N 62a_100000210624_100012353729 [0,1,0,0,0,0|3,0,0]=4 440 B16R2.15551 CC(C)NCc1csc2c1cc(cc2)Br 207a_100138425928_100009814807 [0,1,0,0,0,0|3,0,0]=4 441 B16R2.15551 CC(C)NCc1csc2c1cc(cc2)Cl 207a_100138425928_100000040578 [0,1,0,0,0,0|3,0,0]=4 442 B16R2.15551 CC(C)NCc1csc2c1cc(cc2)Cl 2230a_100138425928_100009814428 [0,1,0,0,0,0|3,0,0]=4 443 B16R2.15551 CC(C)NCc1csc2c1cc(cc2)Cl 34a_100138425928_100009814428 [0,1,0,0,0,0|3,0,0]=4 444 B16R2.15551 CC(C)NCc1csc2c1cc(cc2)F 2230a_100138425928_100010109839 [0,1,0,0,0,0|3,0,0]=4 445 B16R2.15551 CC(C)NCc1csc2c1cc(cc2)F 34a_100138425928_100010109839 [0,1,0,0,0,0|3,0,0]=4 446 B16R2.15551 CC(C)NCc1n[nH]c2c1cc(cc2)Br 207a_100138425928_100009888965 [0,1,0,0,0,0|3,0,0]=4 447 B16R2.15551 CC(C)NCc1n[nH]c2c1cc(cc2)Cl 207a_100138425928_100000086617 [0,1,0,0,0,0|3,0,0]=4 448 B16R2.15551 CC(C)NCc1n[nH]c2c1cc(cc2)F 207a_100138425928_100000084349 [0,1,0,0,0,0|3,0,0]=4 449 B16R2.15551 CC(C)OCc1csc2c1cc(cc2)Cl 34a_100000212225_100009814428 [0,1,0,0,0,0|3,0,0]=4 450 B16R2.15551 CC(C)OCc1csc2c1cc(cc2)Cl 34a_200000043707_100000210206 [0,1,0,0,0,0|3,0,0]=4 451 B16R2.15551 CC(C)OCc1csc2c1cc(cc2)Cl 7a_200000043707_100000210206 [0,1,0,0,0,0|3,0,0]=4 452 B16R2.15551 CC(C)OCc1csc2c1cc(cc2)F 34a_100000212225_100010109839 [0,1,0,0,0,0|3,0,0]=4 453 B16R2.15551 CC(C)SCc1csc2c1cc(cc2)F 62a_100000210206_100010109839 [0,1,0,0,0,0|3,0,0]=4 454 B16R2.15551 CC(C)SCc1csc2c1cc(cc2)F 62a_100010109839_100000210206 [0,1,0,0,0,0|3,0,0]=4 455 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(C)C 62a_100000210624_100010212567 [0,1,0,0,0,0|3,0,0]=4 456 B16R2.15551 Cc1ccc2[nH]nc(c2c1)CNC(C)C 207a_100138425928_100000050950 [0,1,0,0,0,0|3,0,0]=4 457 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(C)C 62a_100000210624_100000123028 [0,1,0,0,0,0|3,0,0]=4 458 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(C)C 62a_100000210624_100010246215 [0,1,0,0,0,0|3,0,0]=4 459 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [0,1,0,0,0,0|2,0,0]=3 460 B16R2.22833 CC(C)CSc1c[nH]c2c1nccc2Cl 62a_100000210624_100010168581 [0,1,0,0,0,0|3,0,0]=4 461 B16R2.22833 CC(C)CSc1n[nH]c2c1cccc2Br 62a_100000210624_100010197283 [0,1,0,0,0,0|3,0,0]=4 462 B16R2.22833 CC(C)CSc1n[nH]c2c1cccc2Cl 62a_100000210624_100000050086 [0,1,0,0,0,0|3,0,0]=4 463 B16R2.22833 CC(C)CSc1n[nH]c2c1cccc2F 62a_100000210624_100010231504 [0,1,0,0,0,0|3,0,0]=4 464 B16R2.22833 CC(C)CSc1n[nH]c2c1cccc2N 62a_100000210624_100009888981 [0,1,0,0,0,0|3,0,0]=4 465 B16R2.22833 CC(C)CSc1n[nH]c2c1cccc2O 62a_100000210624_200010988877 [0,1,0,0,0,0|3,0,0]=4 466 B16R2.22833 CC(C)NCc1n[nH]c2c1cccc2Br 207a_100138425928_100009814788 [0,1,0,0,0,0|3,0,0]=4 467 B16R2.22833 Cc1cccc2c1[nH]nc2CNC(C)C 207a_100138425928_100000050344 [0,1,0,0,0,0|3,0,0]=4 468 B16R2.22833 Cc1cccc2c1[nH]nc2SCC(C)C 62a_100000210624_100010186057 [0,1,0,0,0,0|3,0,0]=4 469 B16R2.22904 CC(C)CSc1c[nH]c2c1c(ccn2)Br 62a_100000210624_100010212587 [0,1,0,0,0,0|3,0,0]=4 470 B16R2.22904 CC(C)CSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000210760 [0,1,0,0,0,0|3,0,0]=4 471 B16R2.22904 CC(C)CSc1c[nH]c2c1c(ccn2)Cl 62a_100000210624_100011356983 [0,1,0,0,0,0|3,0,0]=4 472 B16R2.22904 CC(C)CSc1c[nH]c2c1c(ccn2)F 62a_100000210624_100010168365 [0,1,0,0,0,0|3,0,0]=4 473 B16R2.22904 CC(C)CSc1n[nH]c2c1c(ccc2)Br 62a_100000210624_100010186043 [0,1,0,0,0,0|3,0,0]=4 474 B16R2.22904 CC(C)CSc1n[nH]c2c1c(ccc2)Cl 62a_100000210624_100000049730 [0,1,0,0,0,0|3,0,0]=4 475 B16R2.22904 CC(C)CSc1n[nH]c2c1c(ccc2)F 62a_100000210624_100000049989 [0,1,0,0,0,0|3,0,0]=4 476 B16R2.22904 CC(C)CSc1n[nH]c2c1c(ccc2)N 62a_100000210624_100010186038 [0,1,0,0,0,0|3,0,0]=4 477 B16R2.22904 Cc1cccc2c1c(n[nH]2)SCC(C)C 62a_100000210624_100000049903 [0,1,0,0,0,0|3,0,0]=4 478 B16R2.104522 CC(=O)CCc1cn(c2c1cccc2)C 1458a_100000686839_200000210301 [0,1,0,0,0,0|2,0,0]=3 479 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 11a_100011997738_100015343762 [0,1,0,0,0,0|3,0,0]=4 480 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 1626a_100011997738_100015343762 [0,1,0,0,0,0|3,0,0]=4 481 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 240690a_100011997738_100015343762 [0,1,0,0,0,0|3,0,0]=4 482 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 527a_100011997738_100103153847 [0,1,0,0,0,0|3,0,0]=4 483 B16R2.104522 CC(C)CSc1cn(c2c1cccn2)C 62a_100000210624_100010205794 [0,1,0,0,0,0|3,0,0]=4 484 B16R2.104522 CC(C)CSc1nn(c2c1cccc2)C 62a_100000210624_100009817141 [0,1,0,0,0,0|3,0,0]=4 485 B16R2.104522 CC(C)CSc1nn(c2c1cccc2)C 62a_100009817141_100000210760 [0,1,0,0,0,0|3,0,0]=4 486 B16R2.104522 CC(C)NCc1cn(c2c1cccc2)C 34a_100011997738_100000210206 [0,1,0,0,0,0|2,0,0]=3 487 B16R2.104522 CC(C)NCc1nn(c2c1cccc2)C 207a_100138425928_100011361492 [0,1,0,0,0,0|3,0,0]=4 488 B16R2.104522 CC(C)NCc1nn(c2c1cccc2)C 34a_200011934655_100000210206 [0,1,0,0,0,0|3,0,0]=4 489 B16R2.104522 CC(C)OCc1nn(c2c1cccc2)C 34a_100011934675_100000210206 [0,1,0,0,0,0|3,0,0]=4 490 B16R2.104522 Cn1cc(c2c1cccc2)CCC(=O)[13CH3] 1458a_100000686839_200025704644 [0,1,0,0,0,0|2,0,0]=3 491 B14R1.96 C#Cc1ccccc1OCCN(C)C 7a_200011470546_100000755713 [0,0,1,0,0,0|2,0,1]=4 492 B14R1.96 C=Cc1ccccc1NCCC(C)C 34a_100012022501_100000210312 [0,0,1,0,0,0|3,0,0]=4 493 B14R1.96 C=Cc1ccccc1OCCN(C)C 271570a_100011290941_100102946404 [0,0,1,0,0,0|2,0,0]=3 494 B14R1.96 C=Cc1ccccc1SCCC(C)C 62a_100000210312_100011218376 [0,0,1,0,0,0|3,0,0]=4 495 B14R1.96 C=Cc1ccccc1SCCC(C)C 62a_100011218376_100000210312 [0,0,1,0,0,0|3,0,0]=4 496 B14R1.96 C=Cc1ccccc1SCCN(C)C 62a_100011218376_100000755713 [0,0,1,0,0,0|2,0,0]=3 497 B14R1.96 CC(C)CC=Cc1ccccc1NN 271570a_100016259101_100000241748 [0,0,1,0,0,0|2,0,1]=4 498 B14R1.96 CC(C)CCSc1ccccc1NN 62a_100000210312_100000241748 [0,0,1,0,0,0|3,0,0]=4 499 B14R1.96 CC(C)CCSc1ccccc1NN 62a_100000241748_100000210312 [0,0,1,0,0,0|3,0,0]=4 500 B14R1.96 CCc1ccccc1NCCN(C)C 7a_100000212081_100000755713 [0,0,1,0,0,0|2,0,1]=4 501 B14R1.96 CCc1ccccc1OCCN(C)C 2230a_100015185793_200000210301 [0,0,1,0,0,0|2,0,1]=4 502 B14R1.96 CCc1ccccc1OCCN(C)C 269982a_100015185793_200000210301 [0,0,1,0,0,0|2,0,1]=4 503 B14R1.96 CCc1ccccc1OCCN(C)C 7a_100000210936_100000755713 [0,0,1,0,0,0|2,0,1]=4 504 B14R1.96 CCc1ccccc1OCCN(C)[13CH3] 2230a_100015185793_200025704644 [0,0,1,0,0,0|2,0,1]=4 505 B14R1.96 CCc1ccccc1OCCN(C)[13CH3] 269982a_100015185793_200025704644 [0,0,1,0,0,0|2,0,1]=4 506 B14R1.96 CCc1ccccc1SCCN(C)C 62a_100011215823_100000755713 [0,0,1,0,0,0|2,0,1]=4 507 B14R1.96 CN(C)CCOc1ccccc1C#N 2230a_100102631434_100000743737 [0,0,1,0,0,0|3,0,0]=4 508 B14R1.96 CN(C)CCOc1ccccc1C#N 269982a_100102631434_100000743737 [0,0,1,0,0,0|3,0,0]=4 509 B14R1.96 CN(C)CCOc1ccccc1C#N 7a_100000211048_100000755713 [0,0,1,0,0,0|3,0,0]=4 510 B14R1.96 CN(C)CCOc1ccccc1C=O 2230a_100102631434_100009990610 [0,0,1,0,0,0|3,0,0]=4 511 B14R1.96 CN(C)CCOc1ccccc1C=O 269982a_100102631434_100009990610 [0,0,1,0,0,0|3,0,0]=4 512 B14R1.96 CN(C)CCOc1ccccc1S[13CH3] 62a_100102946404_200025704644 [0,0,1,0,0,0|2,0,1]=4 513 B14R1.96 CN(C)CCOc1ccccc1S[13CH3] 62a_200025704644_100102946404 [0,0,1,0,0,0|2,0,1]=4 514 B14R1.96 CN(C)CCSc1ccccc1C=O 62a_100000210073_100000755713 [0,0,1,0,0,0|3,0,0]=4 515 B14R1.96 CN(C)CCSc1ccccc1CN 62a_100000689332_100000755713 [0,0,1,0,0,0|3,0,0]=4 516 B14R1.96 CN(C)CCSc1ccccc1CO 62a_100000187465_100000755713 [0,0,1,0,0,0|3,0,0]=4 517 B14R1.96 CN(C)CCSc1ccccc1NN 62a_100000241748_100000755713 [0,0,1,0,0,0|2,0,0]=3 518 B14R1.96 CN(C)CCSc1cccnc1NN 62a_100011464834_100000755713 [0,0,1,0,0,0|3,0,0]=4 519 B14R1.96 CN(C)CCSc1cnccc1NN 62a_100013404636_100000755713 [0,0,1,0,0,0|3,0,0]=4 520 B14R1.96 CNc1ccccc1C=CCC(C)C 271570a_100016259101_100020606079 [0,0,1,0,0,0|1,0,2]=4 521 B14R1.96 CNc1ccccc1OCCC(C)C 34a_100000033821_100000210312 [0,0,1,0,0,0|2,0,1]=4 522 B14R1.96 CNc1ccccc1SCCC(C)C 62a_100000210312_100020606079 [0,0,1,0,0,0|2,0,1]=4 523 B14R1.96 CNc1ccccc1SCCC(C)C 62a_100020606079_100000210312 [0,0,1,0,0,0|2,0,1]=4 524 B14R1.96 CNc1ccccc1SCCN(C)C 62a_100020606079_100000755713 [0,0,1,0,0,0|1,0,1]=3 525 B14R1.96 CNc1ccncc1SCCN(C)C 62a_100010069531_100000755713 [0,0,1,0,0,0|2,0,1]=4 526 B14R1.96 CNc1ncccc1SCCN(C)C 62a_100000700899_100000755713 [0,0,1,0,0,0|2,0,1]=4 527 B14R1.96 COc1ccccc1C=CCN(C)C 270004a_100102631434_100000210733 [0,0,1,0,0,0|1,0,2]=4 528 B14R1.96 COc1ccccc1CCCN(C)C 270004a_100102631434_100011713476 [0,0,1,0,0,0|1,0,2]=4 529 B14R1.96 COc1ccccc1OCCN(C)C 2230a_100000228778_200000210301 [0,0,1,0,0,0|2,0,1]=4 530 B14R1.96 COc1ccccc1OCCN(C)C 2230a_100102631434_100000188471 [0,0,1,0,0,0|2,0,1]=4 531 B14R1.96 COc1ccccc1OCCN(C)C 269982a_100000228778_200000210301 [0,0,1,0,0,0|2,0,1]=4 532 B14R1.96 COc1ccccc1OCCN(C)C 269982a_100102631434_100000188471 [0,0,1,0,0,0|2,0,1]=4 533 B14R1.96 COc1ccccc1OCCN(C)[13CH3] 2230a_100000228778_200025704644 [0,0,1,0,0,0|2,0,1]=4 534 B14R1.96 COc1ccccc1OCCN(C)[13CH3] 269982a_100000228778_200025704644 [0,0,1,0,0,0|2,0,1]=4 535 B14R1.96 COc1ccccc1SCCN(C)C 62a_100000210334_100000755713 [0,0,1,0,0,0|2,0,1]=4 536 B14R1.96 CSc1ccccc1OCCN(C)C 62a_100102946404_200000210301 [0,0,1,0,0,0|2,0,1]=4 537 B14R1.96 CSc1ccccc1OCCN(C)C 62a_200000210301_100102946404 [0,0,1,0,0,0|2,0,1]=4 538 B14R1.96 CSc1ccccc1SCCN(C)C 62a_100011217816_100000755713 [0,0,1,0,0,0|2,0,1]=4 539 B14R1.160 CC(C)CCC(=O)c1ccccc1Br 1458a_100000188424_100000210312 [0,0,1,0,0,0|3,0,0]=4 540 B14R1.160 CC(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210312 [0,0,1,0,0,0|3,0,0]=4 541 B14R1.160 CC(C)CCC(=O)c1ccccc1F 1458a_100000188656_100000210312 [0,0,1,0,0,0|3,0,0]=4 542 B14R1.160 CC(C)CCC(=O)c1ccccc1I 1458a_100000187884_100000210312 [0,0,1,0,0,0|3,0,0]=4 543 B14R1.160 CC(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000210312 [0,0,1,0,0,0|3,0,0]=4 544 B14R1.160 CC(C)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210312 [0,0,1,0,0,0|3,0,0]=4 545 B14R1.160 CN(C)CCC(=O)c1ccccc1F 2230a_100102631434_100000086012 [0,0,1,0,0,0|2,0,0]=3 546 B14R1.160 CN(C)CCC(=O)c1ccccc1F 269982a_100102631434_100000086012 [0,0,1,0,0,0|2,0,0]=3 547 B14R1.160 CN(C)CCC(=O)c1ccccc1O 269982a_100102631434_100009873196 [0,0,1,0,0,0|2,0,0]=3 548 B14R1.160 CN(C)CCN(C)c1ccccc1Br 269982a_100020606079_100000755713 [0,0,1,0,0,0|2,0,1]=4 549 B14R1.160 CN(C)CCN(C)c1ccccc1Cl 269982a_100000219374_100000755713 [0,0,1,0,0,0|2,0,1]=4 550 B14R1.160 CN(C)CCN(C)c1ccccc1F 269982a_100000220357_100000755713 [0,0,1,0,0,0|2,0,1]=4 551 B14R1.160 CN(C)CCN(C)c1ccccc1O 269982a_100000033821_100000755713 [0,0,1,0,0,0|2,0,1]=4 552 B14R1.160 Cc1ccccc1C(=O)CCC(C)C 1458a_100000212026_100000210312 [0,0,1,0,0,0|3,0,0]=4 553 B14R1.160 Cc1ccccc1N(C)CCN(C)C 269982a_100000219699_100000755713 [0,0,1,0,0,0|2,0,1]=4 554 B14R1.422 CC(C)CCCCNc1ccccc1 34a_100000106764_100011216152 [0,0,1,0,0,0|1,0,2]=4 555 B14R1.422 CN(C)C=CC=NNc1ccccc1 4a_100015195140_100000735856 [0,0,1,0,0,0|1,0,2]=4 556 B14R1.422 CN(C)CCCCCc1ccccc1 2230a_100102631434_200011217138 [0,0,1,0,0,0|1,0,2]=4 557 B14R1.422 CN(C)CCCCCc1ccccc1 269982a_100102631434_200011217138 [0,0,1,0,0,0|1,0,2]=4 558 B14R1.422 CN(C)CCCCOc1ccccc1 2230a_100102631434_100011215240 [0,0,1,0,0,0|1,0,2]=4 559 B14R1.422 CN(C)CCCCOc1ccccc1 269982a_100102631434_100011215240 [0,0,1,0,0,0|1,0,2]=4 560 B14R1.422 CN(C)CCCCSc1ccccc1 62a_100000719477_100000690147 [0,0,1,0,0,0|1,0,2]=4 561 B14R1.422 CN(C)CCCNCc1ccccc1 207a_102531767803_100015611070 [0,0,1,0,0,0|2,0,1]=4 562 B14R1.422 CN(C)CCCNCc1ccccc1 270004a_102531767803_100015611070 [0,0,1,0,0,0|2,0,1]=4 563 B14R1.422 CN(C)CCCOCc1ccccc1 2230a_100000233174_200000210301 [0,0,1,0,0,0|2,0,1]=4 564 B14R1.422 CN(C)CCCOCc1ccccc1 2230a_100102631434_100011215529 [0,0,1,0,0,0|2,0,1]=4 565 B14R1.422 CN(C)CCCOCc1ccccc1 269982a_100000233174_200000210301 [0,0,1,0,0,0|2,0,1]=4 566 B14R1.422 CN(C)CCCOCc1ccccc1 269982a_100102631434_100011215529 [0,0,1,0,0,0|2,0,1]=4 567 B14R1.422 CN(C)CCCOCc1ccccc1 7a_100000210790_100000757444 [0,0,1,0,0,0|2,0,1]=4 568 B14R1.422 CN(C)CCCSCc1ccccc1 62a_100000211182_100000757444 [0,0,1,0,0,0|2,0,1]=4 569 B14R1.422 CN(C)CCOCCc1ccccc1 7a_100000210268_100000755713 [0,0,1,0,0,0|2,0,1]=4 570 B14R1.422 CN(C)CCSCCc1ccccc1 62a_100000765856_100000755713 [0,0,1,0,0,0|2,0,1]=4 571 B14R1.422 CN(C)CCSCSc1ccccc1 62a_100011218342_100000755713 [0,0,1,0,0,0|2,0,1]=4 572 B14R1.422 CN([13CH3])CCCOCc1ccccc1 2230a_100000233174_200025704644 [0,0,1,0,0,0|2,0,1]=4 573 B14R1.422 CN([13CH3])CCCOCc1ccccc1 269982a_100000233174_200025704644 [0,0,1,0,0,0|2,0,1]=4 574 B14R1.540 CCN(CCN(C)C)c1ccccc1 269982a_100000210013_100000755713 [0,0,1,0,0,0|2,0,1]=4 575 B14R1.540 CCN(CCN(C)C)c1ccccc1 269982a_200000219566_100000204670 [0,0,1,0,0,0|2,0,1]=4 576 B14R1.540 CN(C)CCN(CF)c1ccccc1 269982a_200000219566_100015361967 [0,0,1,0,0,0|2,0,1]=4 577 B16R3.1814 c1cc2[nH]cc(c2cn1)SCC3CC3 62a_100000756562_100000753697 [0,0,0,1,0,0|3,0,0]=4 578 B16R3.1814 c1cc2c(c[nH]c2cn1)SCC3CC3 62a_100000756562_100010232032 [0,0,0,1,0,0|3,0,0]=4 579 B16R3.1814 c1ccc2c(coc2c1)SCC3CC3 62a_100000756562_100009812202 [0,0,0,1,0,0|3,0,0]=4 580 B16R3.1814 c1ccc2c(csc2c1)CNC3CC3 34a_100000212008_200000742921 [0,0,0,1,0,0|3,0,0]=4 581 B16R3.1814 c1ccc2c(csc2c1)CNC3CC3 34a_100000744611_100000211595 [0,0,0,1,0,0|3,0,0]=4 582 B16R3.1814 c1ccc2c(csc2c1)COC3CC3 34a_100011219454_100000211595 [0,0,0,1,0,0|3,0,0]=4 583 B16R3.1814 c1ccc2c(csc2c1)CSC3CC3 62a_200000742921_100000211595 [0,0,0,1,0,0|3,0,0]=4 584 B16R3.1814 c1ccc2c(csc2c1)OCC3CC3 34a_100000077758_100000742324 [0,0,0,1,0,0|3,0,0]=4 585 B16R3.1814 c1ccc2c(csc2c1)OCC3CC3 7a_100000077758_100000742324 [0,0,0,1,0,0|3,0,0]=4 586 B16R3.1814 c1ccc2c(csc2c1)SCC3CC3 62a_100000756562_100009813928 [0,0,0,1,0,0|3,0,0]=4 587 B16R3.1814 c1ccc2c(n[nH]c2c1)SCC3CC3 62a_100000756562_100000050141 [0,0,0,1,0,0|3,0,0]=4 588 B16R3.1814 c1cnc2[nH]cc(c2c1)SCC3CC3 62a_100000756562_100011934613 [0,0,0,1,0,0|3,0,0]=4 589 B16R3.1814 c1cnc2c(c[nH]c2c1)SCC3CC3 62a_100000756562_100009817151 [0,0,0,1,0,0|3,0,0]=4 590 B16R3.2637 CN1CCc2c([nH]c3c2cccc3)C1 2230a_100000694026_200000210301 [0,0,0,1,0,0|0,0,0]=1 591 B16R3.2637 CN1CCc2c([nH]c3c2cccc3)C1 269982a_100000694026_200000210301 [0,0,0,1,0,0|0,0,0]=1 592 B16R3.2637 CN1CCc2c(oc3c2cccc3)C1 2230a_200016992036_200000210301 [0,0,0,1,0,0|1,0,0]=2 593 B16R3.2637 CN1CCc2c(oc3c2cccc3)C1 269982a_200016992036_200000210301 [0,0,0,1,0,0|1,0,0]=2 594 B16R3.2637 [13CH3]N1CCc2c([nH]c3c2cccc3)C1 2230a_100000694026_200025704644 [0,0,0,1,0,0|0,0,0]=1 595 B16R3.2637 [13CH3]N1CCc2c([nH]c3c2cccc3)C1 269982a_100000694026_200025704644 [0,0,0,1,0,0|0,0,0]=1 596 B16R3.2637 [13CH3]N1CCc2c(oc3c2cccc3)C1 2230a_200016992036_200025704644 [0,0,0,1,0,0|1,0,0]=2 597 B16R3.2637 [13CH3]N1CCc2c(oc3c2cccc3)C1 269982a_200016992036_200025704644 [0,0,0,1,0,0|1,0,0]=2 598 B14R2.2 CC(=Cc1c[nH]c2c1cccn2)C 271570a_100102525489_100011934613 [0,0,0,0,1,0|2,0,1]=4 599 B14R2.2 CC(=Cc1c[nH]c2c1ccnc2)C 271570a_100102525489_100010232032 [0,0,0,0,1,0|2,0,1]=4 600 B14R2.2 CC(=Cc1c[nH]c2c1cncc2)C 271570a_100102525489_100011934843 [0,0,0,0,1,0|2,0,1]=4 601 B14R2.2 CC(=Cc1c[nH]c2c1nccc2)C 271570a_100102525489_100009817151 [0,0,0,0,1,0|2,0,1]=4 602 B14R2.2 CC(=Cc1coc2c1cccc2)C 271570a_100102525489_100009812202 [0,0,0,0,1,0|2,0,1]=4 603 B14R2.2 CC(=Cc1csc2c1cccc2)C 271570a_100102525489_100009813928 [0,0,0,0,1,0|2,0,1]=4 604 B14R2.2 CC(=Cc1n[nH]c2c1cccc2)C 271570a_100102525489_100000050141 [0,0,0,0,1,0|2,0,1]=4 605 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [0,0,0,0,1,0|2,0,0]=3 606 B14R2.2 CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200000210301 [0,0,0,0,1,0|3,0,0]=4 607 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,0,0,0,1,0|3,0,0]=4 608 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000070787_200000742921 [0,0,0,0,1,0|3,0,0]=4 609 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000741031_200000210301 [0,0,0,0,1,0|3,0,0]=4 610 B14R2.2 CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200000210301 [0,0,0,0,1,0|3,0,0]=4 611 B14R2.2 CC(C)Oc1csc2c1cccc2 34a_100000077758_100000210206 [0,0,0,0,1,0|3,0,0]=4 612 B14R2.2 CC(C)Oc1csc2c1cccc2 7a_100000077758_100000210206 [0,0,0,0,1,0|3,0,0]=4 613 B14R2.2 CC(C)Sc1c[nH]c2c1cccn2 62a_100000210206_100011934613 [0,0,0,0,1,0|3,0,0]=4 614 B14R2.2 CC(C)Sc1c[nH]c2c1ccnc2 62a_100000210206_100010232032 [0,0,0,0,1,0|3,0,0]=4 615 B14R2.2 CC(C)Sc1c[nH]c2c1cncc2 62a_100000210206_100000753697 [0,0,0,0,1,0|3,0,0]=4 616 B14R2.2 CC(C)Sc1c[nH]c2c1nccc2 62a_100000210206_100009817151 [0,0,0,0,1,0|3,0,0]=4 617 B14R2.2 CC(C)Sc1coc2c1cccc2 62a_100000210206_100009812202 [0,0,0,0,1,0|3,0,0]=4 618 B14R2.2 CC(C)Sc1csc2c1cccc2 62a_100000210206_100009813928 [0,0,0,0,1,0|3,0,0]=4 619 B14R2.2 CC(C)Sc1n[nH]c2c1cccc2 62a_100000210206_100000050141 [0,0,0,0,1,0|3,0,0]=4 620 B14R2.2 CN(C)Cc1c[nH]c2c1ccnc2 270004a_100102631434_100000087688 [0,0,0,0,1,0|1,0,0]=2 621 B14R2.2 CN(C)Cc1cnc2n1cccc2 2230a_100015184908_200000210301 [0,0,0,0,1,0|1,0,1]=3 622 B14R2.2 CN(C)Cc1cnc2n1cccc2 269982a_100015184908_200000210301 [0,0,0,0,1,0|1,0,1]=3 623 B14R2.2 CN(C)Cc1cnc2n1cccc2 270004a_100102631434_100000052358 [0,0,0,0,1,0|1,0,1]=3 624 B14R2.2 CN(C)Cc1cnc2n1cccn2 270004a_100102631434_100000059808 [0,0,0,0,1,0|2,0,1]=4 625 B14R2.2 CN(C)Cc1cnc2n1nccc2 270004a_100102631434_200000102391 [0,0,0,0,1,0|2,0,1]=4 626 B14R2.2 CN(C)Cc1cnn2c1cccc2 270004a_100102631434_100011787723 [0,0,0,0,1,0|1,0,1]=3 627 B14R2.2 CN(C)Cc1coc2c1cccc2 270004a_100102631434_100000688544 [0,0,0,0,1,0|1,0,0]=2 628 B14R2.2 CN(C)Cc1csc2c1cccc2 2230a_100102631434_200000742921 [0,0,0,0,1,0|1,0,0]=2 629 B14R2.2 CN(C)Cc1csc2c1cccc2 269982a_100102631434_200000742921 [0,0,0,0,1,0|1,0,0]=2 630 B14R2.2 CN(C)Cc1csc2c1cccc2 270004a_100102631434_100000239721 [0,0,0,0,1,0|1,0,0]=2 631 B14R2.2 CN(C)Cc1n[nH]c2c1cccc2 270004a_100102631434_100000059708 [0,0,0,0,1,0|1,0,0]=2 632 B14R2.2 CN(C)Cc1ncc2n1cccc2 270004a_100102631434_100000069005 [0,0,0,0,1,0|3,0,0]=4 633 B14R2.2 CN(C)Cc1nnc2n1cccc2 2230a_100102631434_100000037651 [0,0,0,0,1,0|2,0,1]=4 634 B14R2.2 CN(C)Cn1nnc2c1cccc2 2230a_100102631434_100000033166 [0,0,0,0,1,0|2,0,1]=4 635 B14R2.2 CN([13CH3])Cc1cnc2n1cccc2 2230a_100015184908_200025704644 [0,0,0,0,1,0|1,0,1]=3 636 B14R2.2 CN([13CH3])Cc1cnc2n1cccc2 269982a_100015184908_200025704644 [0,0,0,0,1,0|1,0,1]=3 637 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [0,0,0,0,1,0|2,0,0]=3 638 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200025704644 [0,0,0,0,1,0|3,0,0]=4 639 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,0,0,0,1,0|3,0,0]=4 640 B14R2.2 [13CH3]C(=O)Cc1csc2c1cccc2 1458a_100000741031_200025704644 [0,0,0,0,1,0|3,0,0]=4 641 B14R2.2 [13CH3]C(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200025704644 [0,0,0,0,1,0|3,0,0]=4 642 B16R2.36 C=C(C)CCOc1csc2c1cccc2 34a_100000077758_100000730704 [0,0,0,0,0,1|2,0,1]=4 643 B16R2.36 C=C(C)CCOc1csc2c1cccc2 7a_100000077758_100000730704 [0,0,0,0,0,1|2,0,1]=4 644 B16R2.36 C=C(C)CCSc1c[nH]c2c1cccn2 62a_100000730704_100011934613 [0,0,0,0,0,1|2,0,1]=4 645 B16R2.36 C=C(C)CCSc1c[nH]c2c1ccnc2 62a_100000730704_100010232032 [0,0,0,0,0,1|2,0,1]=4 646 B16R2.36 C=C(C)CCSc1c[nH]c2c1cncc2 62a_100000730704_100000753697 [0,0,0,0,0,1|2,0,1]=4 647 B16R2.36 C=C(C)CCSc1c[nH]c2c1nccc2 62a_100000730704_100009817151 [0,0,0,0,0,1|2,0,1]=4 648 B16R2.36 C=C(C)CCSc1coc2c1cccc2 62a_100000730704_100009812202 [0,0,0,0,0,1|2,0,1]=4 649 B16R2.36 C=C(C)CCSc1csc2c1cccc2 62a_100000730704_100009813928 [0,0,0,0,0,1|2,0,1]=4 650 B16R2.36 C=C(C)CCSc1n[nH]c2c1cccc2 62a_100000730704_100000050141 [0,0,0,0,0,1|2,0,1]=4 651 B16R2.36 C=C(C)CNCc1csc2c1cccc2 34a_100000744611_100000748629 [0,0,0,0,0,1|2,0,1]=4 652 B16R2.36 C=C(C)COCc1csc2c1cccc2 34a_100000210245_200000742921 [0,0,0,0,0,1|2,0,1]=4 653 B16R2.36 C=C(C)COCc1csc2c1cccc2 34a_100011219454_100000748629 [0,0,0,0,0,1|2,0,1]=4 654 B16R2.36 C=C(C)CSCc1csc2c1cccc2 62a_100000748629_200000742921 [0,0,0,0,0,1|2,0,1]=4 655 B16R2.36 C=C(C)CSCc1csc2c1cccc2 62a_200000742921_100000211660 [0,0,0,0,0,1|2,0,1]=4 656 B16R2.36 CC(=CCOc1csc2c1cccc2)C 34a_100000077758_100000761012 [0,0,0,0,0,1|2,0,1]=4 657 B16R2.36 CC(=CCOc1csc2c1cccc2)C 7a_100000077758_100000761012 [0,0,0,0,0,1|2,0,1]=4 658 B16R2.36 CC(=CCSc1c[nH]c2c1cccn2)C 62a_100000761012_100011934613 [0,0,0,0,0,1|2,0,1]=4 659 B16R2.36 CC(=CCSc1c[nH]c2c1ccnc2)C 62a_100000761012_100010232032 [0,0,0,0,0,1|2,0,1]=4 660 B16R2.36 CC(=CCSc1c[nH]c2c1cncc2)C 62a_100000761012_100000753697 [0,0,0,0,0,1|2,0,1]=4 661 B16R2.36 CC(=CCSc1c[nH]c2c1nccc2)C 62a_100000761012_100009817151 [0,0,0,0,0,1|2,0,1]=4 662 B16R2.36 CC(=CCSc1coc2c1cccc2)C 62a_100000761012_100009812202 [0,0,0,0,0,1|2,0,1]=4 663 B16R2.36 CC(=CCSc1csc2c1cccc2)C 62a_100000761012_100009813928 [0,0,0,0,0,1|2,0,1]=4 664 B16R2.36 CC(=CCSc1n[nH]c2c1cccc2)C 62a_100000761012_100000050141 [0,0,0,0,0,1|2,0,1]=4 665 B16R2.36 CC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200000210301 [0,0,0,0,0,1|2,0,0]=3 666 B16R2.36 CC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000053229 [0,0,0,0,0,1|3,0,0]=4 667 B16R2.36 CC(=O)CCSc1c[nH]c2c1cccn2 62a_100000053229_100011934613 [0,0,0,0,0,1|3,0,0]=4 668 B16R2.36 CC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000053229_100010232032 [0,0,0,0,0,1|3,0,0]=4 669 B16R2.36 CC(=O)CCSc1c[nH]c2c1cncc2 62a_100000053229_100000753697 [0,0,0,0,0,1|3,0,0]=4 670 B16R2.36 CC(=O)CCSc1c[nH]c2c1nccc2 62a_100000053229_100009817151 [0,0,0,0,0,1|3,0,0]=4 671 B16R2.36 CC(=O)CCSc1coc2c1cccc2 62a_100000053229_100009812202 [0,0,0,0,0,1|3,0,0]=4 672 B16R2.36 CC(=O)CCSc1csc2c1cccc2 62a_100000053229_100009813928 [0,0,0,0,0,1|3,0,0]=4 673 B16R2.36 CC(=O)CCSc1n[nH]c2c1cccc2 62a_100000053229_100000050141 [0,0,0,0,0,1|3,0,0]=4 674 B16R2.36 CC(=O)COCc1csc2c1cccc2 34a_100000211253_200000742921 [0,0,0,0,0,1|3,0,0]=4 675 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100015343762 [0,0,0,0,0,1|2,0,0]=3 676 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100103153847 [0,0,0,0,0,1|2,0,0]=3 677 B16R2.36 CC(=O)NCCc1coc2c1cccc2 11a_100011934666_100015343762 [0,0,0,0,0,1|3,0,0]=4 678 B16R2.36 CC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100015343762 [0,0,0,0,0,1|3,0,0]=4 679 B16R2.36 CC(=O)NCCc1coc2c1cccc2 240690a_100011934666_100015343762 [0,0,0,0,0,1|3,0,0]=4 680 B16R2.36 CC(=O)NCCc1coc2c1cccc2 527a_100011934666_100103153847 [0,0,0,0,0,1|3,0,0]=4 681 B16R2.36 CC(Br)COCc1csc2c1cccc2 34a_100012180447_200000742921 [0,0,0,0,0,1|3,0,0]=4 682 B16R2.36 CC(C)CC=Cc1c[nH]c2c1cccn2 271570a_100016259101_100011934613 [0,0,0,0,0,1|2,0,1]=4 683 B16R2.36 CC(C)CC=Cc1c[nH]c2c1ccnc2 271570a_100016259101_100010232032 [0,0,0,0,0,1|2,0,1]=4 684 B16R2.36 CC(C)CC=Cc1c[nH]c2c1cncc2 271570a_100016259101_100011934843 [0,0,0,0,0,1|2,0,1]=4 685 B16R2.36 CC(C)CC=Cc1c[nH]c2c1nccc2 271570a_100016259101_100009817151 [0,0,0,0,0,1|2,0,1]=4 686 B16R2.36 CC(C)CC=Cc1coc2c1cccc2 271570a_100016259101_100009812202 [0,0,0,0,0,1|2,0,1]=4 687 B16R2.36 CC(C)CC=Cc1csc2c1cccc2 271570a_100016259101_100009813928 [0,0,0,0,0,1|2,0,1]=4 688 B16R2.36 CC(C)CC=Cc1n[nH]c2c1cccc2 271570a_100016259101_100000050141 [0,0,0,0,0,1|2,0,1]=4 689 B16R2.36 CC(C)CCNc1n[nH]c2c1cccn2 27a_100000210545_100009818534 [0,0,0,0,0,1|3,0,0]=4 690 B16R2.36 CC(C)CCNc1n[nH]c2c1cncc2 27a_100000210545_100009820117 [0,0,0,0,0,1|3,0,0]=4 691 B16R2.36 CC(C)CCNc1n[nH]c2c1nccc2 27a_100000210545_100009817118 [0,0,0,0,0,1|3,0,0]=4 692 B16R2.36 CC(C)CCOc1csc2c1cccc2 34a_100000077758_100000210312 [0,0,0,0,0,1|2,0,0]=3 693 B16R2.36 CC(C)CCOc1csc2c1cccc2 7a_100000077758_100000210626 [0,0,0,0,0,1|2,0,0]=3 694 B16R2.36 CC(C)CCSc1c[nH]c2c1cccn2 62a_100000210312_100011934613 [0,0,0,0,0,1|2,0,0]=3 695 B16R2.36 CC(C)CCSc1c[nH]c2c1ccnc2 62a_100000210312_100010232032 [0,0,0,0,0,1|2,0,0]=3 696 B16R2.36 CC(C)CCSc1c[nH]c2c1cncc2 62a_100000210312_100000753697 [0,0,0,0,0,1|2,0,0]=3 697 B16R2.36 CC(C)CCSc1c[nH]c2c1cncn2 62a_100000210312_100000072862 [0,0,0,0,0,1|3,0,0]=4 698 B16R2.36 CC(C)CCSc1c[nH]c2c1cncn2 62a_100009817560_100000210312 [0,0,0,0,0,1|3,0,0]=4 699 B16R2.36 CC(C)CCSc1c[nH]c2c1nccc2 62a_100000210312_100009817151 [0,0,0,0,0,1|2,0,0]=3 700 B16R2.36 CC(C)CCSc1c[nH]c2c1nccn2 62a_100000210312_100009819587 [0,0,0,0,0,1|3,0,0]=4 701 B16R2.36 CC(C)CCSc1cnc2n1cccc2 62a_100000210312_100011219245 [0,0,0,0,0,1|2,0,1]=4 702 B16R2.36 CC(C)CCSc1cnn2c1cccc2 62a_100000210312_100009817726 [0,0,0,0,0,1|2,0,1]=4 703 B16R2.36 CC(C)CCSc1coc2c1cccc2 62a_100000210312_100009812202 [0,0,0,0,0,1|2,0,0]=3 704 B16R2.36 CC(C)CCSc1coc2c1nccc2 62a_100000210312_100009889148 [0,0,0,0,0,1|3,0,0]=4 705 B16R2.36 CC(C)CCSc1csc2c1cccn2 62a_100000210312_100009830249 [0,0,0,0,0,1|3,0,0]=4 706 B16R2.36 CC(C)CCSc1csc2c1cccn2 62a_100009830249_100000210312 [0,0,0,0,0,1|3,0,0]=4 707 B16R2.36 CC(C)CCSc1csc2c1ccnc2 62a_100000210312_100009817111 [0,0,0,0,0,1|3,0,0]=4 708 B16R2.36 CC(C)CCSc1csc2c1ccnc2 62a_100009817111_100000210312 [0,0,0,0,0,1|3,0,0]=4 709 B16R2.36 CC(C)CCSc1csc2c1cncc2 62a_100000210312_100010247091 [0,0,0,0,0,1|3,0,0]=4 710 B16R2.36 CC(C)CCSc1csc2c1cncc2 62a_100010247091_100000210312 [0,0,0,0,0,1|3,0,0]=4 711 B16R2.36 CC(C)CCSc1csc2c1nccc2 62a_100000210312_100010247092 [0,0,0,0,0,1|3,0,0]=4 712 B16R2.36 CC(C)CCSc1n[nH]c2c1cccc2 62a_100000210312_100000050141 [0,0,0,0,0,1|2,0,0]=3 713 B16R2.36 CC(C)CCSc1n[nH]c2c1cccn2 62a_100000210312_100009888962 [0,0,0,0,0,1|3,0,0]=4 714 B16R2.36 CC(C)CCSc1n[nH]c2c1ccnc2 62a_100000210312_100010244369 [0,0,0,0,0,1|3,0,0]=4 715 B16R2.36 CC(C)CCSc1n[nH]c2c1cncc2 62a_100000210312_100009820117 [0,0,0,0,0,1|3,0,0]=4 716 B16R2.36 CC(C)CCSc1n[nH]c2c1nccc2 62a_100000210312_100009817118 [0,0,0,0,0,1|3,0,0]=4 717 B16R2.36 CC(C)CCSc1noc2c1cccc2 62a_100000210312_200000703156 [0,0,0,0,0,1|3,0,0]=4 718 B16R2.36 CC(C)CCSc1noc2c1cccc2 62a_200000703156_100000210312 [0,0,0,0,0,1|3,0,0]=4 719 B16R2.36 CC(C)CNCc1[nH]nc2c1cccc2 270004a_100011642502_100000210432 [0,0,0,0,0,1|2,0,1]=4 720 B16R2.36 CC(C)CNCc1c[nH]c2c1cccc2 270004a_100015202335_100000210432 [0,0,0,0,0,1|1,0,0]=2 721 B16R2.36 CC(C)CNCc1c[nH]c2c1ccnc2 270004a_100000210953_100000087688 [0,0,0,0,0,1|2,0,0]=3 722 B16R2.36 CC(C)CNCc1cnc2n1cccc2 207a_100000210953_100000052358 [0,0,0,0,0,1|2,0,1]=4 723 B16R2.36 CC(C)CNCc1cnc2n1cccc2 2230a_100015187830_100000210760 [0,0,0,0,0,1|2,0,1]=4 724 B16R2.36 CC(C)CNCc1cnc2n1cccc2 270004a_100000210953_100000052358 [0,0,0,0,0,1|2,0,1]=4 725 B16R2.36 CC(C)CNCc1cnc2n1cccc2 270004a_100015187830_100000210432 [0,0,0,0,0,1|2,0,1]=4 726 B16R2.36 CC(C)CNCc1cnn2c1cccc2 207a_100000210953_100011787723 [0,0,0,0,0,1|2,0,1]=4 727 B16R2.36 CC(C)CNCc1cnn2c1cccc2 270004a_100000210953_100011787723 [0,0,0,0,0,1|2,0,1]=4 728 B16R2.36 CC(C)CNCc1coc2c1cccc2 207a_100000210953_100000688544 [0,0,0,0,0,1|2,0,0]=3 729 B16R2.36 CC(C)CNCc1coc2c1cccc2 270004a_100000210953_100000688544 [0,0,0,0,0,1|2,0,0]=3 730 B16R2.36 CC(C)CNCc1csc2c1cccc2 207a_100000210953_100000239721 [0,0,0,0,0,1|2,0,0]=3 731 B16R2.36 CC(C)CNCc1csc2c1cccc2 2230a_100000210953_200000742921 [0,0,0,0,0,1|2,0,0]=3 732 B16R2.36 CC(C)CNCc1csc2c1cccc2 270004a_100000210953_100000239721 [0,0,0,0,0,1|2,0,0]=3 733 B16R2.36 CC(C)CNCc1csc2c1cccc2 270004a_100000744611_100000210432 [0,0,0,0,0,1|2,0,0]=3 734 B16R2.36 CC(C)CNCc1csc2c1cccc2 34a_100000210953_200000742921 [0,0,0,0,0,1|2,0,0]=3 735 B16R2.36 CC(C)CNCc1csc2c1cccc2 34a_100000744611_100000210624 [0,0,0,0,0,1|2,0,0]=3 736 B16R2.36 CC(C)CNCc1n[nH]c2c1cccc2 207a_100000210953_100000059708 [0,0,0,0,0,1|2,0,0]=3 737 B16R2.36 CC(C)CNCc1n[nH]c2c1cccc2 270004a_100000210953_100000059708 [0,0,0,0,0,1|2,0,0]=3 738 B16R2.36 CC(C)CNCc1noc2c1cccc2 34a_100000210953_100009813815 [0,0,0,0,0,1|3,0,0]=4 739 B16R2.36 CC(C)COCc1csc2c1cccc2 34a_100000210257_200000742921 [0,0,0,0,0,1|2,0,0]=3 740 B16R2.36 CC(C)COCc1csc2c1cccc2 34a_100011219454_100000210624 [0,0,0,0,0,1|2,0,0]=3 741 B16R2.36 CC(C)COCc1noc2c1cccc2 34a_100000210257_100009813815 [0,0,0,0,0,1|3,0,0]=4 742 B16R2.36 CC(C)CSCc1csc2c1cccc2 62a_100000210624_200000742921 [0,0,0,0,0,1|2,0,0]=3 743 B16R2.36 CC(C)CSCc1csc2c1cccc2 62a_200000742921_100000210760 [0,0,0,0,0,1|2,0,0]=3 744 B16R2.36 CC(C)CSCc1noc2c1cccc2 62a_100000210624_100009813815 [0,0,0,0,0,1|3,0,0]=4 745 B16R2.36 CC(C)CSCc1noc2c1cccc2 62a_100009813815_100000210760 [0,0,0,0,0,1|3,0,0]=4 746 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210206 [0,0,0,0,0,1|1,0,0]=2 747 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100138425928_100011218569 [0,0,0,0,0,1|1,0,0]=2 748 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 34a_100138425928_100011218569 [0,0,0,0,0,1|1,0,0]=2 749 B16R2.36 CC(C)NCCc1c[nH]c2c1cccn2 2230a_100138425928_100009895007 [0,0,0,0,0,1|2,0,0]=3 750 B16R2.36 CC(C)NCCc1coc2c1cccc2 2230a_100011934666_100000210206 [0,0,0,0,0,1|2,0,0]=3 751 B16R2.36 CC(C)NCCc1coc2c1cccc2 34a_100011934666_100000210206 [0,0,0,0,0,1|2,0,0]=3 752 B16R2.36 CC(C)NN=Cc1c[nH]c2c1cccc2 4a_100000741168_100000182151 [0,0,0,0,0,1|2,0,1]=4 753 B16R2.36 CC(C)OCCc1c[nH]c2c1cccc2 34a_100000212225_100011218569 [0,0,0,0,0,1|1,0,0]=2 754 B16R2.36 CC(C)OCCc1c[nH]c2c1cccc2 34a_100000752351_100000210206 [0,0,0,0,0,1|1,0,0]=2 755 B16R2.36 CC(C)OCCn1ccc2c1cccc2 34a_100011926976_100000210206 [0,0,0,0,0,1|3,0,0]=4 756 B16R2.36 CC(C)OCOc1csc2c1cccc2 34a_100000077758_100000709892 [0,0,0,0,0,1|3,0,0]=4 757 B16R2.36 CC(C)OCSc1c[nH]c2c1cccn2 62a_100000709892_100011934613 [0,0,0,0,0,1|3,0,0]=4 758 B16R2.36 CC(C)OCSc1c[nH]c2c1ccnc2 62a_100000709892_100010232032 [0,0,0,0,0,1|3,0,0]=4 759 B16R2.36 CC(C)OCSc1c[nH]c2c1cncc2 62a_100000709892_100000753697 [0,0,0,0,0,1|3,0,0]=4 760 B16R2.36 CC(C)OCSc1c[nH]c2c1nccc2 62a_100000709892_100009817151 [0,0,0,0,0,1|3,0,0]=4 761 B16R2.36 CC(C)OCSc1coc2c1cccc2 62a_100000709892_100009812202 [0,0,0,0,0,1|3,0,0]=4 762 B16R2.36 CC(C)OCSc1csc2c1cccc2 62a_100000709892_100009813928 [0,0,0,0,0,1|3,0,0]=4 763 B16R2.36 CC(C)OCSc1n[nH]c2c1cccc2 62a_100000709892_100000050141 [0,0,0,0,0,1|3,0,0]=4 764 B16R2.36 CC(C)SCCc1c[nH]c2c1cccc2 62a_100000210206_100011218569 [0,0,0,0,0,1|1,0,0]=2 765 B16R2.36 CC(C)SCCc1c[nH]c2c1cccn2 62a_100000210206_100009895007 [0,0,0,0,0,1|2,0,0]=3 766 B16R2.36 CC(F)COCc1csc2c1cccc2 34a_100015925927_200000742921 [0,0,0,0,0,1|3,0,0]=4 767 B16R2.36 CC(O)CCOc1csc2c1cccc2 34a_100000077758_100012276601 [0,0,0,0,0,1|3,0,0]=4 768 B16R2.36 CC(O)CCOc1csc2c1cccc2 7a_100000077758_100012276601 [0,0,0,0,0,1|3,0,0]=4 769 B16R2.36 CC(O)CCSc1c[nH]c2c1cccn2 62a_100012276601_100011934613 [0,0,0,0,0,1|3,0,0]=4 770 B16R2.36 CC(O)CCSc1c[nH]c2c1ccnc2 62a_100012276601_100010232032 [0,0,0,0,0,1|3,0,0]=4 771 B16R2.36 CC(O)CCSc1c[nH]c2c1cncc2 62a_100012276601_100000753697 [0,0,0,0,0,1|3,0,0]=4 772 B16R2.36 CC(O)CCSc1c[nH]c2c1nccc2 62a_100012276601_100009817151 [0,0,0,0,0,1|3,0,0]=4 773 B16R2.36 CC(O)CCSc1coc2c1cccc2 62a_100012276601_100009812202 [0,0,0,0,0,1|3,0,0]=4 774 B16R2.36 CC(O)CCSc1csc2c1cccc2 62a_100012276601_100009813928 [0,0,0,0,0,1|3,0,0]=4 775 B16R2.36 CC(O)CCSc1n[nH]c2c1cccc2 62a_100012276601_100000050141 [0,0,0,0,0,1|3,0,0]=4 776 B16R2.36 CC(O)CNCc1c[nH]c2c1ccnc2 270004a_100000210904_100000087688 [0,0,0,0,0,1|3,0,0]=4 777 B16R2.36 CC(O)CNCc1coc2c1cccc2 207a_100000210904_100000688544 [0,0,0,0,0,1|3,0,0]=4 778 B16R2.36 CC(O)CNCc1coc2c1cccc2 270004a_100000210904_100000688544 [0,0,0,0,0,1|3,0,0]=4 779 B16R2.36 CC(O)CNCc1csc2c1cccc2 207a_100000210904_100000239721 [0,0,0,0,0,1|3,0,0]=4 780 B16R2.36 CC(O)CNCc1csc2c1cccc2 2230a_100000210904_200000742921 [0,0,0,0,0,1|3,0,0]=4 781 B16R2.36 CC(O)CNCc1csc2c1cccc2 270004a_100000210904_100000239721 [0,0,0,0,0,1|3,0,0]=4 782 B16R2.36 CC(O)CNCc1csc2c1cccc2 34a_100000210904_200000742921 [0,0,0,0,0,1|3,0,0]=4 783 B16R2.36 CC(O)CNCc1csc2c1cccc2 34a_100000744611_100011218427 [0,0,0,0,0,1|3,0,0]=4 784 B16R2.36 CC(O)CNCc1n[nH]c2c1cccc2 207a_100000210904_100000059708 [0,0,0,0,0,1|3,0,0]=4 785 B16R2.36 CC(O)CNCc1n[nH]c2c1cccc2 270004a_100000210904_100000059708 [0,0,0,0,0,1|3,0,0]=4 786 B16R2.36 CC(O)COCc1csc2c1cccc2 34a_100011219454_100011218427 [0,0,0,0,0,1|3,0,0]=4 787 B16R2.36 CC(O)CSCc1csc2c1cccc2 62a_100011218427_200000742921 [0,0,0,0,0,1|3,0,0]=4 788 B16R2.36 CC(O)CSCc1csc2c1cccc2 62a_200000742921_100011218427 [0,0,0,0,0,1|3,0,0]=4 789 B16R2.36 CN(C)CCNC1CCc2c1cccc2 269862a_100000210585_100000212051 [0,0,0,0,0,1|1,0,2]=4 790 B16R2.36 CN(C)CCNc1cnc2n1nccc2 27a_100000210585_100009819068 [0,0,0,0,0,1|2,0,1]=4 791 B16R2.36 CN(C)CCNc1cnn2c1cncc2 27a_100000210585_100010892148 [0,0,0,0,0,1|2,0,1]=4 792 B16R2.36 CN(C)CCNc1cnn2c1nccc2 27a_100000210585_100009819579 [0,0,0,0,0,1|2,0,1]=4 793 B16R2.36 CN(C)CCNc1csc2c1nccn2 27a_100000210585_100010174841 [0,0,0,0,0,1|3,0,0]=4 794 B16R2.36 CN(C)CCNc1n[nH]c2c1cccn2 27a_100000210585_100009818534 [0,0,0,0,0,1|2,0,0]=3 795 B16R2.36 CN(C)CCNc1n[nH]c2c1cncc2 27a_100000210585_100009820117 [0,0,0,0,0,1|2,0,0]=3 796 B16R2.36 CN(C)CCNc1n[nH]c2c1cncn2 27a_100000210585_100009875510 [0,0,0,0,0,1|3,0,0]=4 797 B16R2.36 CN(C)CCNc1n[nH]c2c1nccc2 27a_100000210585_100009817118 [0,0,0,0,0,1|2,0,0]=3 798 B16R2.36 CN(C)CCNc1n[nH]c2c1nccn2 27a_100000210585_100009819591 [0,0,0,0,0,1|3,0,0]=4 799 B16R2.36 CN(C)CCOC1CCc2c1cccc2 7a_100000212247_100000755713 [0,0,0,0,0,1|1,0,2]=4 800 B16R2.36 CN(C)CCOc1csc2c1cccc2 7a_100000077758_100000755713 [0,0,0,0,0,1|1,0,0]=2 801 B16R2.36 CN(C)CCSc1c[nH]c2c1cncn2 62a_100009817560_100000755713 [0,0,0,0,0,1|2,0,0]=3 802 B16R2.36 CN(C)CCSc1cnc2n1cccn2 62a_100011934454_100000755713 [0,0,0,0,0,1|2,0,1]=4 803 B16R2.36 CN(C)CCSc1cnc2n1ccnc2 62a_100011934586_100000755713 [0,0,0,0,0,1|2,0,1]=4 804 B16R2.36 CN(C)CCSc1cnn2c1cncc2 62a_100010892148_100000755713 [0,0,0,0,0,1|2,0,1]=4 805 B16R2.36 CN(C)CCSc1csc2c1cccn2 62a_100009830249_100000755713 [0,0,0,0,0,1|2,0,0]=3 806 B16R2.36 CN(C)CCSc1csc2c1ccnc2 62a_100009817111_100000755713 [0,0,0,0,0,1|2,0,0]=3 807 B16R2.36 CN(C)CCSc1csc2c1cncc2 62a_100010247091_100000755713 [0,0,0,0,0,1|2,0,0]=3 808 B16R2.36 CN(C)CCSc1n[nH]c2c1cncn2 62a_100009875510_100000755713 [0,0,0,0,0,1|3,0,0]=4 809 B16R2.36 CN(C)CCSc1nnc2n1cccc2 62a_100000699609_100000755713 [0,0,0,0,0,1|2,0,1]=4 810 B16R2.36 CN(C)CCSc1noc2c1cccc2 62a_200000703156_100000755713 [0,0,0,0,0,1|2,0,0]=3 811 B16R2.36 C[C@@H](Cl)COCc1csc2c1cccc2 34a_100016084084_200000742921 [0,0,0,0,0,1|3,0,0]=4 812 B16R2.36 C[C@@H](N)COCc1csc2c1cccc2 34a_100000737577_200000742921 [0,0,0,0,0,1|3,0,0]=4 813 B16R2.36 C[C@@H](O)CNCc1csc2c1cccc2 34a_100000744611_100009817552 [0,0,0,0,0,1|3,0,0]=4 814 B16R2.36 C[C@@H](O)COCc1csc2c1cccc2 34a_100011219454_100009817552 [0,0,0,0,0,1|3,0,0]=4 815 B16R2.36 C[C@@H](O)CSCc1csc2c1cccc2 62a_100009817552_200000742921 [0,0,0,0,0,1|3,0,0]=4 816 B16R2.36 C[C@@H](O)CSCc1csc2c1cccc2 62a_200000742921_100009817552 [0,0,0,0,0,1|3,0,0]=4 817 B16R2.36 [13CH3]C(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200025704644 [0,0,0,0,0,1|2,0,0]=3 818 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200000210301 [0,0,0,0,0,1|3,0,0]=4 819 B16R2.477 CC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000210624 [0,0,0,0,0,1|3,0,0]=4 820 B16R2.477 CC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000210760 [0,0,0,0,0,1|3,0,0]=4 821 B16R2.477 CC(C)CNc1ccc2ccccc2n1 27a_100000210953_100011291633 [0,0,0,0,0,1|3,0,0]=4 822 B16R2.477 CC(C)CNc1cnc2ccccc2n1 27a_100000210953_100000756483 [0,0,0,0,0,1|2,0,1]=4 823 B16R2.477 CC(C)COc1ccc2ccccc2c1 34a_100000185828_100000210624 [0,0,0,0,0,1|3,0,0]=4 824 B16R2.477 CC(C)COc1ccc2ccccc2c1 7a_100000185828_100000210760 [0,0,0,0,0,1|3,0,0]=4 825 B16R2.477 CC(C)COc1cnc2ccccc2c1 34a_100011934006_100000210624 [0,0,0,0,0,1|2,0,1]=4 826 B16R2.477 CC(C)COc1cnc2ccccc2c1 7a_100011934006_100000210760 [0,0,0,0,0,1|2,0,1]=4 827 B16R2.477 CC(C)CSc1ccc2ccccc2c1 62a_100000210624_100000233703 [0,0,0,0,0,1|3,0,0]=4 828 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100000210624_100011291633 [0,0,0,0,0,1|3,0,0]=4 829 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000210760 [0,0,0,0,0,1|3,0,0]=4 830 B16R2.477 CC(C)CSc1cnc2ccccc2c1 62a_100000210624_100000737414 [0,0,0,0,0,1|2,0,1]=4 831 B16R2.477 CC(C)CSc1cnc2ccccc2n1 62a_100000210624_100000756483 [0,0,0,0,0,1|2,0,1]=4 832 B16R2.477 CC(C)CSc1cnc2ccccc2n1 62a_100000756483_100000210760 [0,0,0,0,0,1|2,0,1]=4 833 B16R2.477 CC(C)NCc1ccc2ccccc2c1 207a_100138425928_100000211584 [0,0,0,0,0,1|3,0,0]=4 834 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000210206 [0,0,0,0,0,1|3,0,0]=4 835 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100138425928_100011216711 [0,0,0,0,0,1|3,0,0]=4 836 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000210206 [0,0,0,0,0,1|3,0,0]=4 837 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100138425928_100011216711 [0,0,0,0,0,1|3,0,0]=4 838 B16R2.477 CC(C)NCc1ccc2ccccc2n1 207a_100138425928_100000759686 [0,0,0,0,0,1|3,0,0]=4 839 B16R2.477 CC(C)NCc1ccc2ccccc2n1 2230a_100138425928_100000737579 [0,0,0,0,0,1|3,0,0]=4 840 B16R2.477 CC(C)NCc1ccc2ccccc2n1 34a_100138425928_100000737579 [0,0,0,0,0,1|3,0,0]=4 841 B16R2.477 CC(C)NCc1cnc2ccccc2c1 207a_100138425928_100000750898 [0,0,0,0,0,1|2,0,1]=4 842 B16R2.477 CC(C)NCc1cnc2ccccc2c1 34a_100000742225_100000210206 [0,0,0,0,0,1|2,0,1]=4 843 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100000212225_100011216711 [0,0,0,0,0,1|3,0,0]=4 844 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000210206 [0,0,0,0,0,1|3,0,0]=4 845 B16R2.477 CC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000210206 [0,0,0,0,0,1|3,0,0]=4 846 B16R2.477 CC(C)OCc1ccc2ccccc2n1 34a_100000212225_100000737579 [0,0,0,0,0,1|3,0,0]=4 847 B16R2.477 CC(C)OCc1cnc2ccccc2c1 34a_100011258773_100000210206 [0,0,0,0,0,1|2,0,1]=4 848 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100000210206_100011216711 [0,0,0,0,0,1|3,0,0]=4 849 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000210206 [0,0,0,0,0,1|3,0,0]=4 850 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000210206_100000737579 [0,0,0,0,0,1|3,0,0]=4 851 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000737579_100000210206 [0,0,0,0,0,1|3,0,0]=4 852 B16R2.477 CC(C)SCc1cnc2ccccc2n1 62a_100000210206_200000751123 [0,0,0,0,0,1|2,0,1]=4 853 B16R2.477 CC(C)SCc1cnc2ccccc2n1 62a_200000751123_100000210206 [0,0,0,0,0,1|2,0,1]=4 854 B16R2.477 CN(C)CCN1CCc2ccccc2C1 269982a_100000188457_100000755713 [0,0,0,0,0,1|2,0,1]=4 855 B16R2.477 [13CH3]C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200025704644 [0,0,0,0,0,1|3,0,0]=4 856 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100000070787_100011290781 [0,0,0,0,0,1|3,0,0]=4 857 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100011218451_200000210301 [0,0,0,0,0,1|3,0,0]=4 858 B16R2.179941 CC(C)CNc1cccc2c1cccc2 34a_100000185869_100000210624 [0,0,0,0,0,1|3,0,0]=4 859 B16R2.179941 CC(C)CNc1ccnc2c1cccc2 27a_100000210953_100011215880 [0,0,0,0,0,1|2,0,1]=4 860 B16R2.179941 CC(C)CNc1cnnc2c1cccc2 27a_100000210953_100000063506 [0,0,0,0,0,1|2,0,1]=4 861 B16R2.179941 CC(C)CNc1nccc2c1cccc2 27a_100000210953_100011934041 [0,0,0,0,0,1|3,0,0]=4 862 B16R2.179941 CC(C)CNc1ncnc2c1cccc2 27a_100000210953_100000217608 [0,0,0,0,0,1|2,0,1]=4 863 B16R2.179941 CC(C)COc1cccc2c1cccc2 34a_100000210388_100000210624 [0,0,0,0,0,1|3,0,0]=4 864 B16R2.179941 CC(C)COc1cccc2c1cccc2 7a_100000210388_100000210760 [0,0,0,0,0,1|3,0,0]=4 865 B16R2.179941 CC(C)COc1cncc2c1cccc2 34a_100000066178_100000210624 [0,0,0,0,0,1|2,0,1]=4 866 B16R2.179941 CC(C)COc1cncc2c1cccc2 7a_100000066178_100000210760 [0,0,0,0,0,1|2,0,1]=4 867 B16R2.179941 CC(C)COc1nccc2c1cccc2 34a_102531767632_100000210624 [0,0,0,0,0,1|3,0,0]=4 868 B16R2.179941 CC(C)CSc1cccc2c1cccc2 62a_100000210624_100000210605 [0,0,0,0,0,1|3,0,0]=4 869 B16R2.179941 CC(C)CSc1ccnc2c1cccc2 62a_100000210624_100011215880 [0,0,0,0,0,1|2,0,1]=4 870 B16R2.179941 CC(C)CSc1ccnc2c1cccc2 62a_100011458314_100000210760 [0,0,0,0,0,1|2,0,1]=4 871 B16R2.179941 CC(C)CSc1cncc2c1cccc2 62a_100000187577_100000210760 [0,0,0,0,0,1|2,0,1]=4 872 B16R2.179941 CC(C)CSc1cncc2c1cccc2 62a_100000210624_100000187577 [0,0,0,0,0,1|2,0,1]=4 873 B16R2.179941 CC(C)CSc1cnnc2c1cccc2 62a_100000210624_100000063506 [0,0,0,0,0,1|2,0,1]=4 874 B16R2.179941 CC(C)CSc1nccc2c1cccc2 62a_100000210624_100011934041 [0,0,0,0,0,1|3,0,0]=4 875 B16R2.179941 CC(C)CSc1nccc2c1cccc2 62a_100011934041_100000210760 [0,0,0,0,0,1|3,0,0]=4 876 B16R2.179941 CC(C)CSc1ncnc2c1cccc2 62a_100000210624_100000217608 [0,0,0,0,0,1|2,0,1]=4 877 B16R2.179941 CC(C)CSc1ncnc2c1cccc2 62a_100000753007_100000210760 [0,0,0,0,0,1|2,0,1]=4 878 B16R2.179941 CC(C)NCc1cccc2c1cccc2 207a_100138425928_100000210074 [0,0,0,0,0,1|3,0,0]=4 879 B16R2.179941 CC(C)NCc1cccc2c1cccc2 2230a_100138425928_100011261445 [0,0,0,0,0,1|3,0,0]=4 880 B16R2.179941 CC(C)NCc1cccc2c1cccc2 34a_100000753325_100000210206 [0,0,0,0,0,1|3,0,0]=4 881 B16R2.179941 CC(C)NCc1cccc2c1cccc2 34a_100138425928_100011261445 [0,0,0,0,0,1|3,0,0]=4 882 B16R2.179941 CC(C)NCc1ccnc2c1cccc2 2230a_100138425928_100015192512 [0,0,0,0,0,1|2,0,1]=4 883 B16R2.179941 CC(C)NCc1ccnc2c1cccc2 34a_100138425928_100015192512 [0,0,0,0,0,1|2,0,1]=4 884 B16R2.179941 CC(C)NCc1cncc2c1cccc2 207a_100138425928_100000684730 [0,0,0,0,0,1|2,0,1]=4 885 B16R2.179941 CC(C)NCc1nccc2c1cccc2 207a_100138425928_100011361464 [0,0,0,0,0,1|3,0,0]=4 886 B16R2.179941 CC(C)NCc1nccc2c1cccc2 2230a_100138425928_100000033776 [0,0,0,0,0,1|3,0,0]=4 887 B16R2.179941 CC(C)NCc1nccc2c1cccc2 34a_100138425928_100000033776 [0,0,0,0,0,1|3,0,0]=4 888 B16R2.179941 CC(C)OCc1cccc2c1cccc2 34a_100000212225_100011261445 [0,0,0,0,0,1|3,0,0]=4 889 B16R2.179941 CC(C)OCc1cccc2c1cccc2 34a_100011216843_100000210206 [0,0,0,0,0,1|3,0,0]=4 890 B16R2.179941 CC(C)OCc1cccc2c1cccc2 7a_100011216843_100000210206 [0,0,0,0,0,1|3,0,0]=4 891 B16R2.179941 CC(C)OCc1ccnc2c1cccc2 34a_100000212225_100015192512 [0,0,0,0,0,1|2,0,1]=4 892 B16R2.179941 CC(C)OCc1nccc2c1cccc2 34a_100000212225_100000033776 [0,0,0,0,0,1|3,0,0]=4 893 B16R2.179941 CC(C)SCc1cccc2c1cccc2 62a_100000210206_100000188474 [0,0,0,0,0,1|3,0,0]=4 894 B16R2.179941 CC(C)SCc1cccc2c1cccc2 62a_100011261445_100000210206 [0,0,0,0,0,1|3,0,0]=4 895 B16R2.179941 CC(C)SCc1ccnc2c1cccc2 62a_100000210206_100015192512 [0,0,0,0,0,1|2,0,1]=4 896 B16R2.179941 CC(C)SCc1ccnc2c1cccc2 62a_100015192512_100000210206 [0,0,0,0,0,1|2,0,1]=4 897 B16R2.179941 CC(C)SCc1nccc2c1cccc2 62a_100000033776_100000210206 [0,0,0,0,0,1|3,0,0]=4 898 B16R2.179941 CC(C)SCc1nccc2c1cccc2 62a_100000210206_100000033776 [0,0,0,0,0,1|3,0,0]=4 899 B16R2.179941 CN(C)CCc1cccc2c1cccc2 2230a_100102631434_100011290781 [0,0,0,0,0,1|1,0,0]=2 900 B16R2.179941 CN(C)CCc1cccc2c1cccc2 269982a_100102631434_100011290781 [0,0,0,0,0,1|1,0,0]=2 901 B16R2.179941 [13CH3]C(=O)CCc1cccc2c1cccc2 1458a_100011218451_200025704644 [0,0,0,0,0,1|3,0,0]=4 902 B13R1.158 CC(C)CC=Cc1ccccc1N 271570a_100016259101_100000210017 [1,0,1,0,0,0|1,0,1]=4 903 B13R1.158 CC(C)CCOc1ccccc1N 34a_100000185747_100000210312 [1,0,1,0,0,0|2,0,0]=4 904 B13R1.158 CC(C)CCOc1ccccc1N 7a_100000185747_100000210626 [1,0,1,0,0,0|2,0,0]=4 905 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210017_100000210312 [1,0,1,0,0,0|2,0,0]=4 906 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210312_100000210017 [1,0,1,0,0,0|2,0,0]=4 907 B13R1.158 CN(C)CC=Cc1ccccc1Br 270004a_100102631434_200016268969 [1,0,1,0,0,0|1,0,1]=4 908 B13R1.158 CN(C)CC=Cc1ccccc1Cl 270004a_100102631434_200102525841 [1,0,1,0,0,0|1,0,1]=4 909 B13R1.158 CN(C)CC=Cc1ccccc1F 270004a_100102631434_200102525844 [1,0,1,0,0,0|1,0,1]=4 910 B13R1.158 CN(C)CCCc1ccccc1Br 2230a_100102631434_200011713681 [1,0,1,0,0,0|1,0,1]=4 911 B13R1.158 CN(C)CCCc1ccccc1Br 269982a_100102631434_200011713681 [1,0,1,0,0,0|1,0,1]=4 912 B13R1.158 CN(C)CCOc1ccccc1Br 2230a_100102631434_100000695877 [1,0,1,0,0,0|2,0,0]=4 913 B13R1.158 CN(C)CCOc1ccccc1Br 269982a_100102631434_100000695877 [1,0,1,0,0,0|2,0,0]=4 914 B13R1.158 CN(C)CCOc1ccccc1Br 7a_100000181306_100000755713 [1,0,1,0,0,0|2,0,0]=4 915 B13R1.158 CN(C)CCOc1ccccc1Cl 7a_100000210172_100000755713 [1,0,1,0,0,0|2,0,0]=4 916 B13R1.158 CN(C)CCOc1ccccc1F 2230a_100102631434_100000183290 [1,0,1,0,0,0|2,0,0]=4 917 B13R1.158 CN(C)CCOc1ccccc1F 269982a_100102631434_100000183290 [1,0,1,0,0,0|2,0,0]=4 918 B13R1.158 CN(C)CCOc1ccccc1F 7a_100000210171_100000755713 [1,0,1,0,0,0|2,0,0]=4 919 B13R1.158 CN(C)CCOc1ccccc1I 7a_100000739446_100000755713 [1,0,1,0,0,0|2,0,0]=4 920 B13R1.158 CN(C)CCOc1ccccc1N 7a_100000185747_100000755713 [1,0,1,0,0,0|1,0,0]=3 921 B13R1.158 CN(C)CCOc1ccccc1O 271570a_203496583355_100102946404 [1,0,1,0,0,0|2,0,0]=4 922 B13R1.158 CN(C)CCOc1cccnc1N 7a_100000211975_100000755713 [1,0,1,0,0,0|2,0,0]=4 923 B13R1.158 CN(C)CCSc1ccccc1Br 62a_100000695589_100000755713 [1,0,1,0,0,0|2,0,0]=4 924 B13R1.158 CN(C)CCSc1ccccc1Cl 62a_100000764095_100000755713 [1,0,1,0,0,0|2,0,0]=4 925 B13R1.158 CN(C)CCSc1ccccc1F 62a_100011215700_100000755713 [1,0,1,0,0,0|2,0,0]=4 926 B13R1.158 CN(C)CCSc1ccccc1N 62a_100000210017_100000755713 [1,0,1,0,0,0|1,0,0]=3 927 B13R1.158 CN(C)CCSc1ccccc1O 62a_100000739446_100000755713 [1,0,1,0,0,0|2,0,0]=4 928 B13R1.158 CN(C)CCSc1cccnc1N 62a_100000045569_100000755713 [1,0,1,0,0,0|2,0,0]=4 929 B13R1.158 CN(C)CCSc1ccncc1N 62a_100000756074_100000755713 [1,0,1,0,0,0|2,0,0]=4 930 B13R1.158 CN(C)CCSc1cnccc1N 62a_100000047001_100000755713 [1,0,1,0,0,0|2,0,0]=4 931 B13R1.158 CN(C)CCSc1ncccc1N 62a_100000688686_100000755713 [1,0,1,0,0,0|2,0,0]=4 932 B13R1.158 Cc1ccccc1OCCN(C)C 2230a_100102631434_100000184434 [1,0,1,0,0,0|1,0,1]=4 933 B13R1.158 Cc1ccccc1OCCN(C)C 269982a_100102631434_100000184434 [1,0,1,0,0,0|1,0,1]=4 934 B13R1.158 Cc1ccccc1OCCN(C)C 7a_100000210338_100000755713 [1,0,1,0,0,0|1,0,1]=4 935 B13R1.158 Cc1ccccc1SCCN(C)C 62a_100000210755_100000755713 [1,0,1,0,0,0|1,0,1]=4 936 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [1,0,1,0,0,0|2,0,0]=4 937 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [1,0,1,0,0,0|0,0,2]=4 938 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [1,0,1,0,0,0|1,0,0]=3 939 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [1,0,1,0,0,0|1,0,0]=3 940 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [1,0,1,0,0,0|1,0,1]=4 941 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [1,0,1,0,0,0|1,0,1]=4 942 B13R1.45 CN(C)CCN(C)c1ccccc1 2230a_106657271745_200000210301 [1,0,1,0,0,0|1,0,1]=4 943 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_100000210012_100000755713 [1,0,1,0,0,0|1,0,1]=4 944 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_106657271745_200000210301 [1,0,1,0,0,0|1,0,1]=4 945 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_200000219566_200000210301 [1,0,1,0,0,0|1,0,1]=4 946 B13R1.45 CN(C)CCN([13CH3])c1ccccc1 269982a_200000219566_200025704644 [1,0,1,0,0,0|1,0,1]=4 947 B13R1.45 CN(C)CCS(=O)c1ccccc1 2230a_100102631434_100000740319 [1,0,1,0,0,0|2,0,0]=4 948 B13R1.45 CN(C)CCS(=O)c1ccccc1 269982a_100102631434_100000740319 [1,0,1,0,0,0|2,0,0]=4 949 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [1,0,1,0,0,0|1,0,1]=4 950 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [1,0,1,0,0,0|1,0,1]=4 951 B13R1.45 CN(C)COC(=O)c1ccccc1 269982a_100102631434_100000073877 [1,0,1,0,0,0|2,0,0]=4 952 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [1,0,1,0,0,0|1,0,1]=4 953 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [1,0,1,0,0,0|1,0,1]=4 954 B13R1.45 CN([13CH3])CCN(C)c1ccccc1 2230a_106657271745_200025704644 [1,0,1,0,0,0|1,0,1]=4 955 B13R1.45 CN([13CH3])CCN(C)c1ccccc1 269982a_106657271745_200025704644 [1,0,1,0,0,0|1,0,1]=4 956 B13R1.674 CNCCC(=O)c1ccccc1F 2230a_106832991635_100000086012 [1,0,1,0,0,0|2,0,0]=4 957 B13R1.674 CNCCC(=O)c1ccccc1F 7a_106832991635_100000086012 [1,0,1,0,0,0|2,0,0]=4 958 B13R1.674 CNCCC(=O)c1ccccc1O 7a_106832991635_100009873196 [1,0,1,0,0,0|2,0,0]=4 959 B13R1.28 CCCCC=NNc1ccccc1 4a_100015195140_100000210104 [1,0,1,0,0,0|2,0,0]=4 960 B13R1.28 CSCCC=NNc1ccccc1 4a_100015195140_100000210997 [1,0,1,0,0,0|2,0,0]=4 961 B13R2.1 CCOc1csc2c1cccc2 34a_100000077758_100000210202 [2,0,0,0,0,0|2,0,0]=4 962 B13R2.1 CCOc1csc2c1cccc2 7a_100000077758_100000210202 [2,0,0,0,0,0|2,0,0]=4 963 B13R2.1 CCSc1c[nH]c2c1cccn2 62a_100000210202_100011934613 [2,0,0,0,0,0|2,0,0]=4 964 B13R2.1 CCSc1c[nH]c2c1ccnc2 62a_100000210202_100010232032 [2,0,0,0,0,0|2,0,0]=4 965 B13R2.1 CCSc1c[nH]c2c1cncc2 62a_100000210202_100000753697 [2,0,0,0,0,0|2,0,0]=4 966 B13R2.1 CCSc1c[nH]c2c1nccc2 62a_100000210202_100009817151 [2,0,0,0,0,0|2,0,0]=4 967 B13R2.1 CCSc1coc2c1cccc2 62a_100000210202_100009812202 [2,0,0,0,0,0|2,0,0]=4 968 B13R2.1 CCSc1csc2c1cccc2 62a_100000210202_100009813928 [2,0,0,0,0,0|2,0,0]=4 969 B13R2.1 CCSc1n[nH]c2c1cccc2 62a_100000210202_100000050141 [2,0,0,0,0,0|2,0,0]=4 970 B13R2.1 CNCc1c[nH]c2c1ccnc2 270004a_106832991635_100000087688 [2,0,0,0,0,0|1,0,0]=3 971 B13R2.1 CNCc1cnc2n1cccc2 207a_100102657272_100000052358 [2,0,0,0,0,0|1,0,1]=4 972 B13R2.1 CNCc1cnc2n1cccc2 2230a_100015187830_200000210301 [2,0,0,0,0,0|1,0,1]=4 973 B13R2.1 CNCc1cnc2n1cccc2 270004a_106832991635_100000052358 [2,0,0,0,0,0|1,0,1]=4 974 B13R2.1 CNCc1cnn2c1cccc2 207a_100102657272_100011787723 [2,0,0,0,0,0|1,0,1]=4 975 B13R2.1 CNCc1cnn2c1cccc2 270004a_106832991635_100011787723 [2,0,0,0,0,0|1,0,1]=4 976 B13R2.1 CNCc1coc2c1cccc2 207a_100102657272_100000688544 [2,0,0,0,0,0|1,0,0]=3 977 B13R2.1 CNCc1coc2c1cccc2 270004a_106832991635_100000688544 [2,0,0,0,0,0|1,0,0]=3 978 B13R2.1 CNCc1csc2c1cccc2 207a_100102657272_100000239721 [2,0,0,0,0,0|1,0,0]=3 979 B13R2.1 CNCc1csc2c1cccc2 2230a_106832991635_200000742921 [2,0,0,0,0,0|1,0,0]=3 980 B13R2.1 CNCc1csc2c1cccc2 270004a_106832991635_100000239721 [2,0,0,0,0,0|1,0,0]=3 981 B13R2.1 CNCc1csc2c1cccc2 34a_100000744611_200000210301 [2,0,0,0,0,0|1,0,0]=3 982 B13R2.1 CNCc1csc2c1cccc2 34a_100102657272_200000742921 [2,0,0,0,0,0|1,0,0]=3 983 B13R2.1 CNCc1n[nH]c2c1cccc2 207a_100102657272_100000059708 [2,0,0,0,0,0|1,0,0]=3 984 B13R2.1 CNCc1n[nH]c2c1cccc2 270004a_106832991635_100000059708 [2,0,0,0,0,0|1,0,0]=3 985 B13R2.1 CNCc1noc2c1cccc2 34a_100102657272_100009813815 [2,0,0,0,0,0|2,0,0]=4 986 B13R2.1 CNCc1noc2c1cccc2 7a_106832991635_100009813815 [2,0,0,0,0,0|2,0,0]=4 987 B13R2.1 COCc1csc2c1cccc2 34a_100011219454_200000210301 [2,0,0,0,0,0|2,0,0]=4 988 B13R2.1 COCc1csc2c1cccc2 34a_100138415774_200000742921 [2,0,0,0,0,0|2,0,0]=4 989 B13R2.1 CSCc1csc2c1cccc2 62a_200000210301_200000742921 [2,0,0,0,0,0|2,0,0]=4 990 B13R2.1 CSCc1csc2c1cccc2 62a_200000742921_200000210301 [2,0,0,0,0,0|2,0,0]=4 991 B13R2.1 [13CH3]NCc1cnc2n1cccc2 2230a_100015187830_200025704644 [2,0,0,0,0,0|1,0,1]=4 992 B13R2.1 [13CH3]NCc1csc2c1cccc2 34a_100000744611_200025704644 [2,0,0,0,0,0|1,0,0]=3 993 B13R2.1 [13CH3]OCc1csc2c1cccc2 34a_100011219454_200025704644 [2,0,0,0,0,0|2,0,0]=4 994 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200000742921_200025704644 [2,0,0,0,0,0|2,0,0]=4 995 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200025704644_200000742921 [2,0,0,0,0,0|2,0,0]=4 996 B15R1.86 C=Cc1ccccc1C(=O)CCC(C)C 1458a_100011830265_100000210312 [0,1,1,0,0,0|2,0,0]=4 997 B15R1.589 C/C=C/c1ccccc1OCCN(C)C 7a_200000189419_100000755713 [0,1,1,0,0,0|2,0,0]=4 998 B15R1.589 C=C=Cc1ccccc1OCCN(C)C 271570a_100015277604_100102946404 [0,1,1,0,0,0|2,0,0]=4 999 B15R1.589 C=CCc1ccccc1OCCN(C)C 2230a_100011693450_200000210301 [0,1,1,0,0,0|2,0,0]=4 1000 B15R1.589 C=CCc1ccccc1OCCN(C)C 269982a_100011693450_200000210301 [0,1,1,0,0,0|2,0,0]=4 1001 B15R1.589 C=CCc1ccccc1OCCN(C)C 7a_100000211836_100000755713 [0,1,1,0,0,0|2,0,0]=4 1002 B15R1.589 C=CCc1ccccc1OCCN(C)[13CH3] 2230a_100011693450_200025704644 [0,1,1,0,0,0|2,0,0]=4 1003 B15R1.589 C=CCc1ccccc1OCCN(C)[13CH3] 269982a_100011693450_200025704644 [0,1,1,0,0,0|2,0,0]=4 1004 B15R1.589 C=CCc1ccccc1SCCN(C)C 62a_100009828059_100000755713 [0,1,1,0,0,0|2,0,0]=4 1005 B15R1.589 CC(C)CCSc1ccccc1NC=O 62a_100000210312_200020615051 [0,1,1,0,0,0|2,0,0]=4 1006 B15R1.589 CC(C)CCSc1ccccc1NC=O 62a_200020615051_100000210312 [0,1,1,0,0,0|2,0,0]=4 1007 B15R1.589 CC=Cc1ccccc1OCCN(C)C 271570a_100016259895_100102946404 [0,1,1,0,0,0|2,0,0]=4 1008 B15R1.589 CCNc1ccccc1OCCN(C)C 7a_103624766699_100000755713 [0,1,1,0,0,0|1,0,1]=4 1009 B15R1.589 CCNc1ccccc1SCCN(C)C 62a_114873767003_100000755713 [0,1,1,0,0,0|1,0,1]=4 1010 B15R1.589 CN(C)CCSc1ccccc1CNN 62a_200016993956_100000755713 [0,1,1,0,0,0|2,0,0]=4 1011 B15R1.589 CN(C)CCSc1ccccc1NC=O 62a_200020615051_100000755713 [0,1,1,0,0,0|1,0,0]=3 1012 B15R1.589 CNCc1ccccc1OCCN(C)C 207a_100102657272_200011232682 [0,1,1,0,0,0|1,0,1]=4 1013 B15R1.589 CNCc1ccccc1OCCN(C)C 270004a_106832991635_200011232682 [0,1,1,0,0,0|1,0,1]=4 1014 B15R1.589 CNCc1ccccc1SCCN(C)C 62a_100000184654_100000755713 [0,1,1,0,0,0|1,0,1]=4 1015 B15R1.1145 C=Cc1ccccc1SC(C)CN(C)C 62a_100011218376_100020606517 [0,1,1,0,0,0|2,0,0]=4 1016 B15R1.1145 C=Cc1ccccc1SC(C)CN(C)C 62a_100020606517_100011218376 [0,1,1,0,0,0|2,0,0]=4 1017 B15R1.1145 CC(CN(C)C)Sc1ccccc1NN 62a_100000241748_100020606517 [0,1,1,0,0,0|2,0,0]=4 1018 B15R1.1145 CC(CN(C)C)Sc1ccccc1NN 62a_100020606517_100000241748 [0,1,1,0,0,0|2,0,0]=4 1019 B15R1.1145 CNc1ccccc1SC(C)CN(C)C 62a_100020606079_100020606517 [0,1,1,0,0,0|1,0,1]=4 1020 B15R1.1145 CNc1ccccc1SC(C)CN(C)C 62a_100020606517_100020606079 [0,1,1,0,0,0|1,0,1]=4 1021 B15R1.4802 CN(C)CCSc1cccc(c1NN)F 62a_100016994982_100000755713 [0,1,1,0,0,0|2,0,0]=4 1022 B15R1.4802 CNc1c(cccc1SCCN(C)C)N 62a_100010510394_100000755713 [0,1,1,0,0,0|1,0,1]=4 1023 B15R1.8882 C=C(C)c1ccccc1OCCN(C)C 271570a_100000694244_100102946404 [0,1,1,0,0,0|2,0,0]=4 1024 B15R1.8882 CN(C)CCSc1ccccc1N(C)C 62a_100011290883_100000755713 [0,1,1,0,0,0|1,0,1]=4 1025 B15R1.12845 C=Cc1ccc(cc1SCCN(C)C)F 62a_100012354420_100000755713 [0,1,1,0,0,0|2,0,0]=4 1026 B15R1.12845 CNc1ccc(cc1SCCN(C)C)C 62a_100000221369_100000755713 [0,1,1,0,0,0|1,0,1]=4 1027 B15R1.12845 CNc1ccc(cc1SCCN(C)C)F 62a_100011246292_100000755713 [0,1,1,0,0,0|1,0,1]=4 1028 B15R1.12845 Cc1ccc(c(c1)SCCN(C)C)NN 62a_100016996181_100000755713 [0,1,1,0,0,0|2,0,0]=4 1029 B15R1.13063 C=Cc1cc(ccc1SCCN(C)C)F 62a_100012356183_100000755713 [0,1,1,0,0,0|2,0,0]=4 1030 B15R1.13063 CN(C)CCSc1ccc(cc1NN)F 62a_100012362518_100000755713 [0,1,1,0,0,0|2,0,0]=4 1031 B15R1.13063 CNc1cc(ccc1SCCN(C)C)F 62a_100020633008_100000755713 [0,1,1,0,0,0|1,0,1]=4 1032 B15R1.5815 CCN(C)CCC(=O)c1ccccc1F 2230a_100000225621_100000086012 [0,1,1,0,0,0|2,0,0]=4 1033 B15R1.5815 CCN(C)CCC(=O)c1ccccc1F 269982a_100000225621_100000086012 [0,1,1,0,0,0|2,0,0]=4 1034 B15R1.5815 CCN(C)CCC(=O)c1ccccc1O 269982a_100000225621_100009873196 [0,1,1,0,0,0|2,0,0]=4 1035 B15R1.5822 CN(C)CCC(=O)c1ccc(cc1F)Br 2230a_100102631434_100010339771 [0,1,1,0,0,0|2,0,0]=4 1036 B15R1.5822 CN(C)CCC(=O)c1ccc(cc1F)Br 269982a_100102631434_100010339771 [0,1,1,0,0,0|2,0,0]=4 1037 B15R1.497 CN(C)CCCCN(C)c1ccccc1 269982a_100000210012_100000690147 [0,1,1,0,0,0|0,0,2]=4 1038 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 11a_100000106764_100011216857 [0,1,1,0,0,0|1,0,1]=4 1039 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 1626a_100000106764_100011216857 [0,1,1,0,0,0|1,0,1]=4 1040 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 22a_100000106764_100011216857 [0,1,1,0,0,0|1,0,1]=4 1041 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 527a_100000106764_100011216857 [0,1,1,0,0,0|1,0,1]=4 1042 B15R1.1081 CC(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000210545 [0,1,1,0,0,0|2,0,0]=4 1043 B15R1.1081 CN(C)CC=CC(=O)Cc1ccccc1 1458a_100000754359_100015291786 [0,1,1,0,0,0|1,0,1]=4 1044 B15R1.1081 CN(C)CC=CC(=O)Nc1ccccc1 22a_100000106764_100000754359 [0,1,1,0,0,0|0,0,1]=3 1045 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 11a_100000106764_100000740757 [0,1,1,0,0,0|0,0,1]=3 1046 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 2230a_100102631434_100011194425 [0,1,1,0,0,0|0,0,1]=3 1047 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 22a_100000106764_100000740757 [0,1,1,0,0,0|0,0,1]=3 1048 B15R1.1081 CN(C)CCCC(=O)Nc1ccccc1 269982a_100102631434_100011194425 [0,1,1,0,0,0|0,0,1]=3 1049 B15R1.1081 CN(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000210585 [0,1,1,0,0,0|1,0,0]=3 1050 B15R1.5919 CC(=NNc1ccccc1)CCC(C)C 4a_100015195140_100000210476 [0,1,1,0,0,0|2,0,0]=4 1051 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210312 [0,1,1,0,0,0|2,0,0]=4 1052 B15R1.5919 CC(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000181311 [0,1,1,0,0,0|2,0,0]=4 1053 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000689311 [0,1,1,0,0,0|2,0,0]=4 1054 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000689311 [0,1,1,0,0,0|2,0,0]=4 1055 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000689311 [0,1,1,0,0,0|2,0,0]=4 1056 B15R1.5919 CN(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000689311 [0,1,1,0,0,0|1,0,0]=3 1057 B15R1.5919 CN(C)CCC(=O)NNc1ccccn1 22a_100000183288_100000689311 [0,1,1,0,0,0|2,0,0]=4 1058 B15R1.5919 CN(C)CCC(=O)NNc1cccnc1 22a_100000728903_100000689311 [0,1,1,0,0,0|2,0,0]=4 1059 B15R1.5919 CN(C)CCC(=O)NNc1ccncc1 22a_100000698918_100000689311 [0,1,1,0,0,0|2,0,0]=4 1060 B15R1.5919 CN(C)CCC(=O)OCc1ccccc1 2230a_100102631434_100009813219 [0,1,1,0,0,0|2,0,0]=4 1061 B15R1.5919 CN(C)CCC(=O)OCc1ccccc1 269982a_100102631434_100009813219 [0,1,1,0,0,0|2,0,0]=4 1062 B15R1.5919 C[S+](C)CCC(=O)NNc1ccccc1 22a_100015195140_100009452791 [0,1,1,0,0,0|2,0,0]=4 1063 B15R1.1299 C=CCN(CCN(C)C)c1ccccc1 269982a_100000211662_100000755713 [0,1,1,0,0,0|2,0,0]=4 1064 B15R1.1299 C=CCN(CCN(C)C)c1ccccc1 269982a_200000219566_100000210623 [0,1,1,0,0,0|2,0,0]=4 1065 B15R1.1299 CN(C)CCN(CC=O)c1ccccc1 269982a_200000219566_200015260668 [0,1,1,0,0,0|2,0,0]=4 1066 B15R1.12293 CC(=O)N(CCN(C)C)c1ccccc1 11a_200000219566_100015343762 [0,1,1,0,0,0|2,0,0]=4 1067 B15R1.12293 CC(=O)N(CCN(C)C)c1ccccc1 1626a_200000219566_100015343762 [0,1,1,0,0,0|2,0,0]=4 1068 B15R1.12293 CC(=O)N(CCN(C)C)c1ccccc1 22a_200000219566_100000070787 [0,1,1,0,0,0|2,0,0]=4 1069 B15R2.4 CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210202 [1,1,0,0,0,0|1,0,1]=4 1070 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 11a_106832991635_100000183835 [1,1,0,0,0,0|0,0,1]=3 1071 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 240690a_100102657272_100000183835 [1,1,0,0,0,0|0,0,1]=3 1072 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 527a_100102657272_100000183835 [1,1,0,0,0,0|0,0,1]=3 1073 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccn2 11a_106832991635_100000687015 [1,1,0,0,0,0|1,0,1]=4 1074 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccn2 240690a_100102657272_100000687015 [1,1,0,0,0,0|1,0,1]=4 1075 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccn2 527a_100102657272_100000687015 [1,1,0,0,0,0|1,0,1]=4 1076 B15R2.4 CNC(=O)Cc1coc2c1cccc2 11a_106832991635_100000217546 [1,1,0,0,0,0|1,0,1]=4 1077 B15R2.4 CNC(=O)Cc1coc2c1cccc2 1626a_100102657272_100000217546 [1,1,0,0,0,0|1,0,1]=4 1078 B15R2.4 CNC(=O)Cc1coc2c1cccc2 240690a_100102657272_100000217546 [1,1,0,0,0,0|1,0,1]=4 1079 B15R2.4 CNC(=O)Cc1coc2c1cccc2 527a_100102657272_100000217546 [1,1,0,0,0,0|1,0,1]=4 1080 B15R2.4 CNC(=O)Cc1csc2c1cccc2 11a_106832991635_100000741031 [1,1,0,0,0,0|1,0,1]=4 1081 B15R2.4 CNC(=O)Cc1csc2c1cccc2 1626a_100102657272_100000741031 [1,1,0,0,0,0|1,0,1]=4 1082 B15R2.4 CNC(=O)Cc1csc2c1cccc2 240690a_100102657272_100000741031 [1,1,0,0,0,0|1,0,1]=4 1083 B15R2.4 CNC(=O)Cc1csc2c1cccc2 527a_100102657272_100000741031 [1,1,0,0,0,0|1,0,1]=4 1084 B15R2.4 CNC(=O)Cc1n[nH]c2c1cccc2 240690a_100102657272_100000044345 [1,1,0,0,0,0|1,0,1]=4 1085 B15R2.4 CNC(=O)Cc1n[nH]c2c1cccc2 527a_100102657272_100000044345 [1,1,0,0,0,0|1,0,1]=4 1086 B15R2.4 CNC(C)Cc1c[nH]c2c1cccc2 270004a_106832991635_100000030300 [1,1,0,0,0,0|0,0,0]=2 1087 B15R2.5 CCCCOc1csc2c1cccc2 34a_100000077758_100000210210 [1,1,0,0,0,0|2,0,0]=4 1088 B15R2.5 CCCCOc1csc2c1cccc2 7a_100000077758_100000210211 [1,1,0,0,0,0|2,0,0]=4 1089 B15R2.5 CCCCSc1c[nH]c2c1cccn2 62a_100000210211_100011934613 [1,1,0,0,0,0|2,0,0]=4 1090 B15R2.5 CCCCSc1c[nH]c2c1ccnc2 62a_100000210211_100010232032 [1,1,0,0,0,0|2,0,0]=4 1091 B15R2.5 CCCCSc1c[nH]c2c1cncc2 62a_100000210211_100000753697 [1,1,0,0,0,0|2,0,0]=4 1092 B15R2.5 CCCCSc1c[nH]c2c1nccc2 62a_100000210211_100009817151 [1,1,0,0,0,0|2,0,0]=4 1093 B15R2.5 CCCCSc1coc2c1cccc2 62a_100000210211_100009812202 [1,1,0,0,0,0|2,0,0]=4 1094 B15R2.5 CCCCSc1csc2c1cccc2 62a_100000210211_100009813928 [1,1,0,0,0,0|2,0,0]=4 1095 B15R2.5 CCCCSc1n[nH]c2c1cccc2 62a_100000210211_100000050141 [1,1,0,0,0,0|2,0,0]=4 1096 B15R2.5 CCCNCc1c[nH]c2c1ccnc2 270004a_100020643023_100000087688 [1,1,0,0,0,0|2,0,0]=4 1097 B15R2.5 CCCNCc1coc2c1cccc2 207a_100020643023_100000688544 [1,1,0,0,0,0|2,0,0]=4 1098 B15R2.5 CCCNCc1coc2c1cccc2 270004a_100020643023_100000688544 [1,1,0,0,0,0|2,0,0]=4 1099 B15R2.5 CCCNCc1csc2c1cccc2 207a_100020643023_100000239721 [1,1,0,0,0,0|2,0,0]=4 1100 B15R2.5 CCCNCc1csc2c1cccc2 270004a_100020643023_100000239721 [1,1,0,0,0,0|2,0,0]=4 1101 B15R2.5 CCCNCc1csc2c1cccc2 34a_100000744611_100000210303 [1,1,0,0,0,0|2,0,0]=4 1102 B15R2.5 CCCNCc1n[nH]c2c1cccc2 207a_100020643023_100000059708 [1,1,0,0,0,0|2,0,0]=4 1103 B15R2.5 CCCNCc1n[nH]c2c1cccc2 270004a_100020643023_100000059708 [1,1,0,0,0,0|2,0,0]=4 1104 B15R2.5 CCCOCc1csc2c1cccc2 34a_100000210258_200000742921 [1,1,0,0,0,0|2,0,0]=4 1105 B15R2.5 CCCOCc1csc2c1cccc2 34a_100011219454_100000210303 [1,1,0,0,0,0|2,0,0]=4 1106 B15R2.5 CCCSCc1csc2c1cccc2 62a_100000210303_200000742921 [1,1,0,0,0,0|2,0,0]=4 1107 B15R2.5 CCCSCc1csc2c1cccc2 62a_200000742921_100000210303 [1,1,0,0,0,0|2,0,0]=4 1108 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210202 [1,1,0,0,0,0|0,0,0]=2 1109 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100015525214_100011218569 [1,1,0,0,0,0|0,0,0]=2 1110 B15R2.5 CCNCCc1c[nH]c2c1cccn2 2230a_100015525214_100009895007 [1,1,0,0,0,0|1,0,0]=3 1111 B15R2.5 CCNCCc1coc2c1cccc2 2230a_100011934666_100000210202 [1,1,0,0,0,0|1,0,0]=3 1112 B15R2.5 CCNCCc1coc2c1cccc2 34a_100011934666_100000210202 [1,1,0,0,0,0|1,0,0]=3 1113 B15R2.5 CCNN=Cc1c[nH]c2c1cccc2 4a_100000756455_100000182151 [1,1,0,0,0,0|1,0,1]=4 1114 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000210202 [1,1,0,0,0,0|1,0,0]=3 1115 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100121572206_100011218569 [1,1,0,0,0,0|1,0,0]=3 1116 B15R2.5 CCSCCc1c[nH]c2c1cccc2 62a_100000210202_100011218569 [1,1,0,0,0,0|1,0,0]=3 1117 B15R2.5 CCSCCc1c[nH]c2c1cccn2 62a_100000210202_100009895007 [1,1,0,0,0,0|2,0,0]=4 1118 B15R2.5 CNCCCn1ccc2c1cccc2 34a_100000185030_200000210301 [1,1,0,0,0,0|2,0,0]=4 1119 B15R2.5 COCCCc1c[nH]c2c1cccc2 34a_100102524900_200000210301 [1,1,0,0,0,0|1,0,0]=3 1120 B15R2.5 COCCOc1csc2c1cccc2 34a_100000077758_100011201679 [1,1,0,0,0,0|2,0,0]=4 1121 B15R2.5 COCCOc1csc2c1cccc2 7a_100000077758_100000233755 [1,1,0,0,0,0|2,0,0]=4 1122 B15R2.5 COCCSc1c[nH]c2c1cccn2 62a_100000233755_100011934613 [1,1,0,0,0,0|2,0,0]=4 1123 B15R2.5 COCCSc1c[nH]c2c1ccnc2 62a_100000233755_100010232032 [1,1,0,0,0,0|2,0,0]=4 1124 B15R2.5 COCCSc1c[nH]c2c1cncc2 62a_100000233755_100000753697 [1,1,0,0,0,0|2,0,0]=4 1125 B15R2.5 COCCSc1c[nH]c2c1nccc2 62a_100000233755_100009817151 [1,1,0,0,0,0|2,0,0]=4 1126 B15R2.5 COCCSc1coc2c1cccc2 62a_100000233755_100009812202 [1,1,0,0,0,0|2,0,0]=4 1127 B15R2.5 COCCSc1csc2c1cccc2 62a_100000233755_100009813928 [1,1,0,0,0,0|2,0,0]=4 1128 B15R2.5 COCCSc1n[nH]c2c1cccc2 62a_100000233755_100000050141 [1,1,0,0,0,0|2,0,0]=4 1129 B15R2.5 COCSCc1csc2c1cccc2 62a_100000766300_200000742921 [1,1,0,0,0,0|2,0,0]=4 1130 B15R2.5 COCSCc1csc2c1cccc2 62a_200000742921_100000766300 [1,1,0,0,0,0|2,0,0]=4 1131 B15R2.5 CSCCOc1csc2c1cccc2 34a_100000077758_100000212216 [1,1,0,0,0,0|2,0,0]=4 1132 B15R2.5 CSCCOc1csc2c1cccc2 7a_100000077758_100000212216 [1,1,0,0,0,0|2,0,0]=4 1133 B15R2.5 CSCCSc1c[nH]c2c1cccn2 62a_100000212216_100011934613 [1,1,0,0,0,0|2,0,0]=4 1134 B15R2.5 CSCCSc1c[nH]c2c1ccnc2 62a_100000212216_100010232032 [1,1,0,0,0,0|2,0,0]=4 1135 B15R2.5 CSCCSc1c[nH]c2c1cncc2 62a_100000212216_100000753697 [1,1,0,0,0,0|2,0,0]=4 1136 B15R2.5 CSCCSc1c[nH]c2c1nccc2 62a_100000212216_100009817151 [1,1,0,0,0,0|2,0,0]=4 1137 B15R2.5 CSCCSc1coc2c1cccc2 62a_100000212216_100009812202 [1,1,0,0,0,0|2,0,0]=4 1138 B15R2.5 CSCCSc1csc2c1cccc2 62a_100000212216_100009813928 [1,1,0,0,0,0|2,0,0]=4 1139 B15R2.5 CSCCSc1n[nH]c2c1cccc2 62a_100000212216_100000050141 [1,1,0,0,0,0|2,0,0]=4 1140 B15R2.5 CSCNCc1csc2c1cccc2 34a_100000744611_100011218213 [1,1,0,0,0,0|2,0,0]=4 1141 B15R2.5 CSCOCc1csc2c1cccc2 34a_100011219454_100011218213 [1,1,0,0,0,0|2,0,0]=4 1142 B15R2.5 CSCSCc1csc2c1cccc2 62a_100011218213_200000742921 [1,1,0,0,0,0|2,0,0]=4 1143 B15R2.5 CSCSCc1csc2c1cccc2 62a_200000742921_100011218213 [1,1,0,0,0,0|2,0,0]=4 1144 B15R2.5 FCNCCc1coc2c1cccc2 34a_100011934666_100015361967 [1,1,0,0,0,0|1,0,0]=3 1145 B15R2.5 FCOCCc1c[nH]c2c1cccc2 34a_100000752351_100015361967 [1,1,0,0,0,0|1,0,0]=3 1146 B15R2.5 FCSCCc1c[nH]c2c1cccc2 62a_100015361967_100011218569 [1,1,0,0,0,0|1,0,0]=3 1147 B15R2.5 FCSCCc1c[nH]c2c1cccn2 62a_100015361967_100009895007 [1,1,0,0,0,0|2,0,0]=4 1148 B15R2.5 [13CH3]NCCCn1ccc2c1cccc2 34a_100000185030_200025704644 [1,1,0,0,0,0|2,0,0]=4 1149 B15R2.5 [13CH3]OCCCc1c[nH]c2c1cccc2 34a_100102524900_200025704644 [1,1,0,0,0,0|1,0,0]=3 1150 B15R2.65 CCCCc1n[nH]c2c1cccc2Br 271570a_100020621405_100010197283 [1,1,0,0,0,0|2,0,0]=4 1151 B15R2.65 CCCCc1n[nH]c2c1cccc2C 271570a_100020621405_100010186057 [1,1,0,0,0,0|2,0,0]=4 1152 B15R2.65 CCCCc1n[nH]c2c1cccc2Cl 271570a_100020621405_100000050086 [1,1,0,0,0,0|2,0,0]=4 1153 B15R2.65 CCCCc1n[nH]c2c1cccc2F 271570a_100020621405_100010231504 [1,1,0,0,0,0|2,0,0]=4 1154 B15R2.65 CCCCc1n[nH]c2c1cccc2N 271570a_100020621405_100009888981 [1,1,0,0,0,0|2,0,0]=4 1155 B15R2.65 CCCCc1n[nH]c2c1cccc2O 271570a_100020621405_200010988877 [1,1,0,0,0,0|2,0,0]=4 1156 B15R2.65 CCNCc1c[nH]c2c1cccc2Br 270004a_100015525214_100009814786 [1,1,0,0,0,0|2,0,0]=4 1157 B15R2.65 CCNCc1c[nH]c2c1cccc2C 270004a_100015525214_100000040139 [1,1,0,0,0,0|2,0,0]=4 1158 B15R2.65 CCNCc1c[nH]c2c1cccc2Cl 270004a_100015525214_100011361501 [1,1,0,0,0,0|2,0,0]=4 1159 B15R2.65 CNCCc1c[nH]c2c1cccc2C 2230a_100015184521_200000210301 [1,1,0,0,0,0|0,0,0]=2 1160 B15R2.65 Cc1cccc2c1[nH]cc2CCN[13CH3] 2230a_100015184521_200025704644 [1,1,0,0,0,0|0,0,0]=2 1161 B15R2.73 CNCC(=O)c1c[nH]c2c1cccc2 2230a_106832991635_100000183220 [1,1,0,0,0,0|0,0,1]=3 1162 B15R2.73 CNCC(=O)c1c[nH]c2c1cccc2 7a_106832991635_100000183220 [1,1,0,0,0,0|0,0,1]=3 1163 B15R2.73 CNCC(=O)c1csc2c1cccc2 2230a_106832991635_100000689783 [1,1,0,0,0,0|1,0,1]=4 1164 B15R2.73 CNCC(=O)c1csc2c1cccc2 7a_106832991635_100000689783 [1,1,0,0,0,0|1,0,1]=4 1165 B15R2.73 CSCC(=O)c1c[nH]c2c1cccc2 62a_200000210301_100000183220 [1,1,0,0,0,0|1,0,1]=4 1166 B15R2.73 [13CH3]SCC(=O)c1c[nH]c2c1cccc2 62a_200025704644_100000183220 [1,1,0,0,0,0|1,0,1]=4 1167 B15R2.1385 CCCCc1n[nH]c2c1ccc(c2)Br 271570a_100020621405_100010186045 [1,1,0,0,0,0|2,0,0]=4 1168 B15R2.1385 CCCCc1n[nH]c2c1ccc(c2)C 271570a_100020621405_100000049534 [1,1,0,0,0,0|2,0,0]=4 1169 B15R2.1385 CCCCc1n[nH]c2c1ccc(c2)Cl 271570a_100020621405_100000049627 [1,1,0,0,0,0|2,0,0]=4 1170 B15R2.1385 CCCCc1n[nH]c2c1ccc(c2)F 271570a_100020621405_100000049990 [1,1,0,0,0,0|2,0,0]=4 1171 B15R2.1385 CCCCc1n[nH]c2c1ccc(c2)N 271570a_100020621405_100009816878 [1,1,0,0,0,0|2,0,0]=4 1172 B15R2.1385 CNCCc1c[nH]c2c1ccc(c2)C 2230a_100000709966_200000210301 [1,1,0,0,0,0|0,0,0]=2 1173 B15R2.1385 CNCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_200000210301 [1,1,0,0,0,0|0,0,0]=2 1174 B15R2.1385 COCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_200000210301 [1,1,0,0,0,0|1,0,0]=3 1175 B15R2.1385 Cc1ccc2c(c[nH]c2c1)CCN[13CH3] 2230a_100000709966_200025704644 [1,1,0,0,0,0|0,0,0]=2 1176 B15R2.1385 [13CH3]NCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_200025704644 [1,1,0,0,0,0|0,0,0]=2 1177 B15R2.1385 [13CH3]OCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_200025704644 [1,1,0,0,0,0|1,0,0]=3 1178 B15R2.1428 CCCCc1cn(c2c1cccn2)C 271570a_100020621405_100010205794 [1,1,0,0,0,0|2,0,0]=4 1179 B15R2.1428 CCCCc1nn(c2c1cccc2)C 271570a_100020621405_100009817141 [1,1,0,0,0,0|2,0,0]=4 1180 B15R2.1428 CCNCc1cn(c2c1cccc2)C 34a_100011997738_100000210202 [1,1,0,0,0,0|2,0,0]=4 1181 B15R2.1428 COCCc1cn(c2c1cccc2)C 34a_100000101561_200000210301 [1,1,0,0,0,0|1,0,0]=3 1182 B15R2.1428 Cn1cc(c2c1cccc2)CCO[13CH3] 34a_100000101561_200025704644 [1,1,0,0,0,0|1,0,0]=3 1183 B15R2.1435 CCCCc1c(oc2c1cccc2)C 271570a_100020621405_200010236113 [1,1,0,0,0,0|2,0,0]=4 1184 B15R2.1435 CCCCc1c(sc2c1cccc2)C 271570a_100020621405_100010002616 [1,1,0,0,0,0|2,0,0]=4 1185 B15R2.1435 CNCCn1c(=O)[nH]c2c1cccc2 2230a_106832991635_203549783246 [1,1,0,0,0,0|1,0,0]=3 1186 B15R2.1435 CNCCn1c(=O)[nH]c2c1cccc2 7a_106832991635_203549783246 [1,1,0,0,0,0|1,0,0]=3 1187 B15R2.17667 CCCCc1c[nH]c2c1c(ccn2)Br 271570a_100020621405_100010212587 [1,1,0,0,0,0|2,0,0]=4 1188 B15R2.17667 CCCCc1c[nH]c2c1c(ccn2)F 271570a_100020621405_100010168365 [1,1,0,0,0,0|2,0,0]=4 1189 B15R2.17667 CCCCc1c[nH]c2c1c(ncc2)O 271570a_100020621405_100010168626 [1,1,0,0,0,0|2,0,0]=4 1190 B15R2.17667 CCCCc1n[nH]c2c1c(ccc2)Br 271570a_100020621405_100010186043 [1,1,0,0,0,0|2,0,0]=4 1191 B15R2.17667 CCCCc1n[nH]c2c1c(ccc2)C 271570a_100020621405_100000049903 [1,1,0,0,0,0|2,0,0]=4 1192 B15R2.17667 CCCCc1n[nH]c2c1c(ccc2)Cl 271570a_100020621405_100000049730 [1,1,0,0,0,0|2,0,0]=4 1193 B15R2.17667 CCCCc1n[nH]c2c1c(ccc2)F 271570a_100020621405_100000049989 [1,1,0,0,0,0|2,0,0]=4 1194 B15R2.17667 CCCCc1n[nH]c2c1c(ccc2)N 271570a_100020621405_100010186038 [1,1,0,0,0,0|2,0,0]=4 1195 B15R2.17667 COCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_200000210301 [1,1,0,0,0,0|1,0,0]=3 1196 B15R2.17667 [13CH3]OCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_200025704644 [1,1,0,0,0,0|1,0,0]=3 1197 B15R2.17719 CCCCc1c[nH]c2c1cc(cn2)C 271570a_100020621405_100010246215 [1,1,0,0,0,0|2,0,0]=4 1198 B15R2.17719 CCCCc1c[nH]c2c1cc(cn2)F 271570a_100020621405_100010168383 [1,1,0,0,0,0|2,0,0]=4 1199 B15R2.17719 CCCCc1csc2c1cc(cc2)N 271570a_100020621405_100011178648 [1,1,0,0,0,0|2,0,0]=4 1200 B15R2.17719 CCCCc1n[nH]c2c1cc(cc2)Br 271570a_100020621405_100010186058 [1,1,0,0,0,0|2,0,0]=4 1201 B15R2.17719 CCCCc1n[nH]c2c1cc(cc2)C 271570a_100020621405_100000123028 [1,1,0,0,0,0|2,0,0]=4 1202 B15R2.17719 CCCCc1n[nH]c2c1cc(cc2)Cl 271570a_100020621405_100010174404 [1,1,0,0,0,0|2,0,0]=4 1203 B15R2.17719 CCCCc1n[nH]c2c1cc(cc2)F 271570a_100020621405_100011934747 [1,1,0,0,0,0|2,0,0]=4 1204 B15R2.17719 CCCCc1n[nH]c2c1cc(cc2)N 271570a_100020621405_100012353729 [1,1,0,0,0,0|2,0,0]=4 1205 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_200000210301 [1,1,0,0,0,0|0,0,0]=2 1206 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_200000210301 [1,1,0,0,0,0|0,0,0]=2 1207 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_200000210301 [1,1,0,0,0,0|0,0,0]=2 1208 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200000210301 [1,1,0,0,0,0|0,0,0]=2 1209 B15R2.17719 CNCCc1csc2c1cc(cc2)Br 2230a_100016989105_200000210301 [1,1,0,0,0,0|1,0,0]=3 1210 B15R2.17719 CNCCc1csc2c1cc(cc2)Br 34a_100016989105_200000210301 [1,1,0,0,0,0|1,0,0]=3 1211 B15R2.17719 COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200000210301 [1,1,0,0,0,0|1,0,0]=3 1212 B15R2.17719 Cc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000008874_200025704644 [1,1,0,0,0,0|0,0,0]=2 1213 B15R2.17719 OCCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100102583652 [1,1,0,0,0,0|2,0,0]=4 1214 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_200025704644 [1,1,0,0,0,0|0,0,0]=2 1215 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_200025704644 [1,1,0,0,0,0|0,0,0]=2 1216 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200025704644 [1,1,0,0,0,0|0,0,0]=2 1217 B15R2.17719 [13CH3]NCCc1csc2c1cc(cc2)Br 2230a_100016989105_200025704644 [1,1,0,0,0,0|1,0,0]=3 1218 B15R2.17719 [13CH3]NCCc1csc2c1cc(cc2)Br 34a_100016989105_200025704644 [1,1,0,0,0,0|1,0,0]=3 1219 B15R2.17719 [13CH3]OCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200025704644 [1,1,0,0,0,0|1,0,0]=3 1220 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_200000210301 [0,1,0,0,1,0|2,0,0]=4 1221 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200000210301 [0,1,0,0,1,0|2,0,0]=4 1222 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_200000210301 [0,1,0,0,1,0|2,0,0]=4 1223 B15R2.377 CN(C)Cc1c[nH]c2c1ncc(c2)Br 270004a_100102631434_100010168556 [0,1,0,0,1,0|1,0,0]=3 1224 B15R2.377 CN(C)Cc1c[nH]c2c1ncc(n2)Br 270004a_100102631434_203552255033 [0,1,0,0,1,0|2,0,0]=4 1225 B15R2.377 CN(C)Cc1cnc2n1ccc(c2)Br 270004a_100102631434_100010220036 [0,1,0,0,1,0|1,0,1]=4 1226 B15R2.377 CN(C)Cc1cnc2n1ccc(c2)Cl 270004a_100102631434_100000097743 [0,1,0,0,1,0|1,0,1]=4 1227 B15R2.377 CN(C)Cc1cnc2n1ccc(c2)F 270004a_100102631434_100010721590 [0,1,0,0,1,0|1,0,1]=4 1228 B15R2.377 CN(C)Cc1n[nH]c2c1ccc(c2)Br 270004a_100102631434_100009817233 [0,1,0,0,1,0|1,0,0]=3 1229 B15R2.377 CN(C)Cc1n[nH]c2c1ccc(c2)Cl 270004a_100102631434_100000086628 [0,1,0,0,1,0|1,0,0]=3 1230 B15R2.377 CN(C)Cc1n[nH]c2c1ccc(c2)F 270004a_100102631434_100000086633 [0,1,0,0,1,0|1,0,0]=3 1231 B15R2.377 Cc1ccn2c(cnc2c1)CN(C)C 270004a_100102631434_100000097740 [0,1,0,0,1,0|1,0,1]=4 1232 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_200025704644 [0,1,0,0,1,0|2,0,0]=4 1233 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200025704644 [0,1,0,0,1,0|2,0,0]=4 1234 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_200025704644 [0,1,0,0,1,0|2,0,0]=4 1235 B15R2.993 CC(=O)Cc1c([nH]c2c1cccc2)C 1458a_100000737320_200000210301 [0,1,0,0,1,0|2,0,0]=4 1236 B15R2.993 CN(C)Cc1c2ccccc2nn1C 270004a_100102631434_100000066482 [0,1,0,0,1,0|1,0,1]=4 1237 B15R2.993 CN(C)Cn1c(=S)sc2c1cccc2 2230a_100102631434_200000011012 [0,1,0,0,1,0|2,0,0]=4 1238 B15R2.993 CN(C)Cn1c(=S)sc2c1cccc2 269982a_100102631434_200000011012 [0,1,0,0,1,0|2,0,0]=4 1239 B15R2.993 Cc1[nH]c2ccccc2c1CC(=O)[13CH3] 1458a_100000737320_200025704644 [0,1,0,0,1,0|2,0,0]=4 1240 B15R2.993 Cc1sc2ccccc2c1CN(C)C 270004a_100102631434_100000066825 [0,1,0,0,1,0|1,0,0]=3 1241 B15R2.1255 CN(C)C(=O)C1=CCc2c1cccc2 11a_100102631434_100000037392 [0,1,0,0,1,0|1,0,1]=4 1242 B15R2.1255 CN(C)C(=O)C1=CCc2c1cccc2 1626a_100102631434_100000037392 [0,1,0,0,1,0|1,0,1]=4 1243 B15R2.1255 CN(C)C(=O)C1=CCc2c1cccc2 240690a_100102631434_100000037392 [0,1,0,0,1,0|1,0,1]=4 1244 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200000210301 [0,1,0,0,1,0|2,0,0]=4 1245 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_200000210301 [0,1,0,0,1,0|2,0,0]=4 1246 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200000210301 [0,1,0,0,1,0|2,0,0]=4 1247 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200000210301 [0,1,0,0,1,0|2,0,0]=4 1248 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200000210301 [0,1,0,0,1,0|2,0,0]=4 1249 B15R2.9410 CN(C)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000728258 [0,1,0,0,1,0|0,0,0]=2 1250 B15R2.9410 CN(C)Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_200010174824 [0,1,0,0,1,0|1,0,0]=3 1251 B15R2.9410 CN(C)Cc1c[nH]c2c1nc(cn2)Br 270004a_100102631434_100010090762 [0,1,0,0,1,0|2,0,0]=4 1252 B15R2.9410 CN(C)Cc1cnc2n1cc(cc2)Br 270004a_100102631434_100000757799 [0,1,0,0,1,0|1,0,1]=4 1253 B15R2.9410 CN(C)Cc1cnc2n1cc(cc2)Cl 270004a_100102631434_100000095899 [0,1,0,0,1,0|1,0,1]=4 1254 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Br 270004a_100102631434_100009814807 [0,1,0,0,1,0|1,0,0]=3 1255 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Cl 2230a_100102631434_100009814428 [0,1,0,0,1,0|1,0,0]=3 1256 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Cl 269982a_100102631434_100009814428 [0,1,0,0,1,0|1,0,0]=3 1257 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)Cl 270004a_100102631434_100000040578 [0,1,0,0,1,0|1,0,0]=3 1258 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)F 2230a_100102631434_100010109839 [0,1,0,0,1,0|1,0,0]=3 1259 B15R2.9410 CN(C)Cc1csc2c1cc(cc2)F 269982a_100102631434_100010109839 [0,1,0,0,1,0|1,0,0]=3 1260 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cc2)Br 270004a_100102631434_100009888965 [0,1,0,0,1,0|1,0,0]=3 1261 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cc2)Cl 270004a_100102631434_100000086617 [0,1,0,0,1,0|1,0,0]=3 1262 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cc2)F 270004a_100102631434_100000084349 [0,1,0,0,1,0|1,0,0]=3 1263 B15R2.9410 CN(C)Cc1n[nH]c2c1cc(cn2)Br 270004a_100102631434_100010234984 [0,1,0,0,1,0|2,0,0]=4 1264 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100102525273_200025704644 [0,1,0,0,1,0|2,0,0]=4 1265 B15R2.9410 Cc1ccc2[nH]nc(c2c1)CN(C)C 270004a_100102631434_100000050950 [0,1,0,0,1,0|1,0,0]=3 1266 B15R2.9410 Cc1ccc2ncc(n2c1)CN(C)C 270004a_100102631434_100000097737 [0,1,0,0,1,0|1,0,1]=4 1267 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200025704644 [0,1,0,0,1,0|2,0,0]=4 1268 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200025704644 [0,1,0,0,1,0|2,0,0]=4 1269 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200025704644 [0,1,0,0,1,0|2,0,0]=4 1270 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200025704644 [0,1,0,0,1,0|2,0,0]=4 1271 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_200000210301 [0,1,0,0,1,0|2,0,0]=4 1272 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2C 1458a_200000049093_200000210301 [0,1,0,0,1,0|2,0,0]=4 1273 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_200000210301 [0,1,0,0,1,0|2,0,0]=4 1274 B15R2.13587 CN(C)Cc1c[nH]c2c1cccc2Br 270004a_100102631434_100009814786 [0,1,0,0,1,0|0,0,0]=2 1275 B15R2.13587 CN(C)Cc1c[nH]c2c1cccc2Cl 270004a_100102631434_100011361501 [0,1,0,0,1,0|0,0,0]=2 1276 B15R2.13587 CN(C)Cc1cnc2n1cccc2Br 270004a_100102631434_100010272206 [0,1,0,0,1,0|1,0,1]=4 1277 B15R2.13587 CN(C)Cc1n[nH]c2c1cccc2Br 270004a_100102631434_100009814788 [0,1,0,0,1,0|1,0,0]=3 1278 B15R2.13587 Cc1cccc2c1[nH]cc2CC(=O)[13CH3] 1458a_200000049093_200025704644 [0,1,0,0,1,0|2,0,0]=4 1279 B15R2.13587 Cc1cccc2c1[nH]cc2CN(C)C 270004a_100102631434_100000040139 [0,1,0,0,1,0|0,0,0]=2 1280 B15R2.13587 Cc1cccc2c1[nH]nc2CN(C)C 270004a_100102631434_100000050344 [0,1,0,0,1,0|1,0,0]=3 1281 B15R2.13587 [13CH3]C(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_200025704644 [0,1,0,0,1,0|2,0,0]=4 1282 B15R2.13587 [13CH3]C(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_200025704644 [0,1,0,0,1,0|2,0,0]=4 1283 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_200000210301 [0,1,0,0,1,0|2,0,0]=4 1284 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)C 1458a_100102558282_200000210301 [0,1,0,0,1,0|2,0,0]=4 1285 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_200000210301 [0,1,0,0,1,0|2,0,0]=4 1286 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_200000210301 [0,1,0,0,1,0|2,0,0]=4 1287 B15R2.13624 CN(C)Cc1cnc2n1c(ccc2)Cl 270004a_100102631434_100000099958 [0,1,0,0,1,0|1,0,1]=4 1288 B15R2.13624 Cc1cccc2c1c(c[nH]2)CC(=O)[13CH3] 1458a_100102558282_200025704644 [0,1,0,0,1,0|2,0,0]=4 1289 B15R2.13624 Cc1cccc2n1c(cn2)CN(C)C 270004a_100102631434_100000101704 [0,1,0,0,1,0|1,0,1]=4 1290 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_200025704644 [0,1,0,0,1,0|2,0,0]=4 1291 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_200025704644 [0,1,0,0,1,0|2,0,0]=4 1292 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_200025704644 [0,1,0,0,1,0|2,0,0]=4 1293 B15R2.53147 CC(=O)Cc1cn(c2c1cccc2)C 1458a_100011218532_200000210301 [0,1,0,0,1,0|2,0,0]=4 1294 B15R2.53147 CN(C)Cc1nn(c2c1cccc2)C 270004a_100102631434_100011361492 [0,1,0,0,1,0|1,0,0]=3 1295 B15R2.53147 Cn1cc(c2c1cccc2)CC(=O)[13CH3] 1458a_100011218532_200025704644 [0,1,0,0,1,0|2,0,0]=4 1296 B17R2.4 C#CC(C)NCCc1c[nH]c2c1cccc2 2230a_100000707721_100011218569 [0,1,0,0,0,1|1,0,1]=4 1297 B17R2.4 C#CC(C)NCCc1c[nH]c2c1cccc2 34a_100000707721_100011218569 [0,1,0,0,0,1|1,0,1]=4 1298 B17R2.4 C#CC(C)OCCc1c[nH]c2c1cccc2 34a_100000752351_200000035995 [0,1,0,0,0,1|1,0,1]=4 1299 B17R2.4 C#CC(C)SCCc1c[nH]c2c1cccc2 62a_200000035995_100011218569 [0,1,0,0,0,1|1,0,1]=4 1300 B17R2.4 C#C[C@@H](C)OCCc1c[nH]c2c1cccc2 34a_100009815206_100011218569 [0,1,0,0,0,1|1,0,1]=4 1301 B17R2.4 C#C[C@@H](C)OCCc1c[nH]c2c1cccc2 7a_100009815206_100011218569 [0,1,0,0,0,1|1,0,1]=4 1302 B17R2.4 C=CC(C)OCCc1c[nH]c2c1cccc2 34a_100000695699_100011218569 [0,1,0,0,0,1|1,0,1]=4 1303 B17R2.4 C=CC(C)SCCc1c[nH]c2c1cccc2 62a_100011215867_100011218569 [0,1,0,0,0,1|1,0,1]=4 1304 B17R2.4 CC(C#N)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100000184139 [0,1,0,0,0,1|1,0,1]=4 1305 B17R2.4 CC(C#N)NCCc1c[nH]c2c1cccc2 2230a_100000737613_100011218569 [0,1,0,0,0,1|1,0,1]=4 1306 B17R2.4 CC(C#N)OCCc1c[nH]c2c1cccc2 34a_100011218135_100011218569 [0,1,0,0,0,1|1,0,1]=4 1307 B17R2.4 CC(C#N)SCCc1c[nH]c2c1cccc2 62a_100000703298_100011218569 [0,1,0,0,0,1|1,0,1]=4 1308 B17R2.4 CC(CF)OCCc1c[nH]c2c1cccc2 34a_100016041109_100011218569 [0,1,0,0,0,1|1,0,0]=3 1309 B17R2.4 CC(CF)OCCc1c[nH]c2c1cccc2 7a_100016041109_100011218569 [0,1,0,0,0,1|1,0,0]=3 1310 B17R2.4 CC(CF)OCCc1c[nH]c2c1cccn2 7a_100016041109_100009895007 [0,1,0,0,0,1|2,0,0]=4 1311 B17R2.4 CC(CN)COCc1csc2c1cccc2 34a_100000744482_200000742921 [0,1,0,0,0,1|2,0,0]=4 1312 B17R2.4 CC(CN)OCCc1c[nH]c2c1cccc2 34a_100000210904_100011218569 [0,1,0,0,0,1|1,0,0]=3 1313 B17R2.4 CC(CO)CNCc1coc2c1cccc2 207a_100000744482_100000688544 [0,1,0,0,0,1|2,0,0]=4 1314 B17R2.4 CC(CO)CNCc1csc2c1cccc2 207a_100000744482_100000239721 [0,1,0,0,0,1|2,0,0]=4 1315 B17R2.4 CC(CO)CNCc1csc2c1cccc2 34a_100000744482_200000742921 [0,1,0,0,0,1|2,0,0]=4 1316 B17R2.4 CC(CO)CNCc1n[nH]c2c1cccc2 207a_100000744482_100000059708 [0,1,0,0,0,1|2,0,0]=4 1317 B17R2.4 CC(CO)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100012180447 [0,1,0,0,0,1|1,0,0]=3 1318 B17R2.4 CC(CO)NCCc1coc2c1cccc2 2230a_100011934666_100012180447 [0,1,0,0,0,1|2,0,0]=4 1319 B17R2.4 CC(CO)NCCc1coc2c1cccc2 34a_100011934666_100012180447 [0,1,0,0,0,1|2,0,0]=4 1320 B17R2.4 CC(CO)OCCc1c[nH]c2c1cccc2 34a_100000752351_100012180447 [0,1,0,0,0,1|1,0,0]=3 1321 B17R2.4 CC(CO)SCCc1c[nH]c2c1cccc2 62a_100012180447_100011218569 [0,1,0,0,0,1|1,0,0]=3 1322 B17R2.4 CC(CO)SCCc1c[nH]c2c1cccn2 62a_100012180447_100009895007 [0,1,0,0,0,1|2,0,0]=4 1323 B17R2.4 CCC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100000210202 [0,1,0,0,0,1|2,0,0]=4 1324 B17R2.4 CCC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000210414 [0,1,0,0,0,1|2,0,0]=4 1325 B17R2.4 CCC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000210414 [0,1,0,0,0,1|2,0,0]=4 1326 B17R2.4 CCC(C)CNCc1c[nH]c2c1cccc2 270004a_100015202335_100000243153 [0,1,0,0,0,1|1,0,0]=3 1327 B17R2.4 CCC(C)CNCc1c[nH]c2c1ccnc2 270004a_100020588543_100000087688 [0,1,0,0,0,1|2,0,0]=4 1328 B17R2.4 CCC(C)CNCc1coc2c1cccc2 207a_100020588543_100000688544 [0,1,0,0,0,1|2,0,0]=4 1329 B17R2.4 CCC(C)CNCc1coc2c1cccc2 270004a_100020588543_100000688544 [0,1,0,0,0,1|2,0,0]=4 1330 B17R2.4 CCC(C)CNCc1csc2c1cccc2 207a_100020588543_100000239721 [0,1,0,0,0,1|2,0,0]=4 1331 B17R2.4 CCC(C)CNCc1csc2c1cccc2 2230a_100020588543_200000742921 [0,1,0,0,0,1|2,0,0]=4 1332 B17R2.4 CCC(C)CNCc1csc2c1cccc2 270004a_100000744611_100000243153 [0,1,0,0,0,1|2,0,0]=4 1333 B17R2.4 CCC(C)CNCc1csc2c1cccc2 270004a_100020588543_100000239721 [0,1,0,0,0,1|2,0,0]=4 1334 B17R2.4 CCC(C)CNCc1csc2c1cccc2 34a_100000744611_100000748023 [0,1,0,0,0,1|2,0,0]=4 1335 B17R2.4 CCC(C)CNCc1n[nH]c2c1cccc2 207a_100020588543_100000059708 [0,1,0,0,0,1|2,0,0]=4 1336 B17R2.4 CCC(C)CNCc1n[nH]c2c1cccc2 270004a_100020588543_100000059708 [0,1,0,0,0,1|2,0,0]=4 1337 B17R2.4 CCC(C)COCc1csc2c1cccc2 34a_100011219454_100000748023 [0,1,0,0,0,1|2,0,0]=4 1338 B17R2.4 CCC(C)NCCc1c[nH]c2c1cccc2 2230a_100000209981_100011218569 [0,1,0,0,0,1|1,0,0]=3 1339 B17R2.4 CCC(C)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100000758301 [0,1,0,0,0,1|1,0,0]=3 1340 B17R2.4 CCC(C)NCCc1c[nH]c2c1cccn2 2230a_100000209981_100009895007 [0,1,0,0,0,1|2,0,0]=4 1341 B17R2.4 CCC(C)NCCc1coc2c1cccc2 2230a_100011934666_100000758301 [0,1,0,0,0,1|2,0,0]=4 1342 B17R2.4 CCC(C)NCCc1coc2c1cccc2 34a_100011934666_100011215416 [0,1,0,0,0,1|2,0,0]=4 1343 B17R2.4 CCC(C)OCCc1c[nH]c2c1cccc2 34a_100000752351_100011215416 [0,1,0,0,0,1|1,0,0]=3 1344 B17R2.4 CCC(C)OCCc1c[nH]c2c1cccc2 7a_100000210228_100011218569 [0,1,0,0,0,1|1,0,0]=3 1345 B17R2.4 CCC(C)OCCc1c[nH]c2c1cccn2 7a_100000210228_100009895007 [0,1,0,0,0,1|2,0,0]=4 1346 B17R2.4 CCC(C)SCCc1c[nH]c2c1cccc2 62a_100000758301_100011218569 [0,1,0,0,0,1|1,0,0]=3 1347 B17R2.4 CCC(C)SCCc1c[nH]c2c1cccn2 62a_100000758301_100009895007 [0,1,0,0,0,1|2,0,0]=4 1348 B17R2.4 CC[C@H](C)CNCc1csc2c1cccc2 34a_100000744611_100009816398 [0,1,0,0,0,1|2,0,0]=4 1349 B17R2.4 CC[C@H](C)COCc1csc2c1cccc2 34a_100011219454_100009816398 [0,1,0,0,0,1|2,0,0]=4 1350 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 11a_106832991635_100000181718 [0,1,0,0,0,1|2,0,0]=4 1351 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 1626a_100102657272_100000181718 [0,1,0,0,0,1|2,0,0]=4 1352 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 240690a_100102657272_100000181718 [0,1,0,0,0,1|2,0,0]=4 1353 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 527a_100102657272_100000181718 [0,1,0,0,0,1|2,0,0]=4 1354 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 2708a_100000211132_106832991635 [0,1,0,0,0,1|2,0,0]=4 1355 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 2708a_100102657272_100000211132 [0,1,0,0,0,1|2,0,0]=4 1356 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 273464a_100000211132_100102657272 [0,1,0,0,0,1|2,0,0]=4 1357 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 273464a_100102657272_100000211132 [0,1,0,0,0,1|2,0,0]=4 1358 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 512a_106832991638_100000211132 [0,1,0,0,0,1|2,0,0]=4 1359 B17R2.4 COC(C)COCc1csc2c1cccc2 34a_100000690652_200000742921 [0,1,0,0,0,1|2,0,0]=4 1360 B17R2.4 COC(C)SCCc1c[nH]c2c1cccc2 62a_100009879195_100011218569 [0,1,0,0,0,1|1,0,0]=3 1361 B17R2.4 COC(C)SCCc1c[nH]c2c1cccn2 62a_100009879195_100009895007 [0,1,0,0,0,1|2,0,0]=4 1362 B17R2.4 CO[C@H](C)CNCc1c[nH]c2c1ccnc2 270004a_100020591295_100000087688 [0,1,0,0,0,1|2,0,0]=4 1363 B17R2.4 CO[C@H](C)CNCc1coc2c1cccc2 207a_100020591295_100000688544 [0,1,0,0,0,1|2,0,0]=4 1364 B17R2.4 CO[C@H](C)CNCc1coc2c1cccc2 270004a_100020591295_100000688544 [0,1,0,0,0,1|2,0,0]=4 1365 B17R2.4 CO[C@H](C)CNCc1csc2c1cccc2 207a_100020591295_100000239721 [0,1,0,0,0,1|2,0,0]=4 1366 B17R2.4 CO[C@H](C)CNCc1csc2c1cccc2 2230a_100020591295_200000742921 [0,1,0,0,0,1|2,0,0]=4 1367 B17R2.4 CO[C@H](C)CNCc1csc2c1cccc2 270004a_100020591295_100000239721 [0,1,0,0,0,1|2,0,0]=4 1368 B17R2.4 CO[C@H](C)CNCc1n[nH]c2c1cccc2 207a_100020591295_100000059708 [0,1,0,0,0,1|2,0,0]=4 1369 B17R2.4 CO[C@H](C)CNCc1n[nH]c2c1cccc2 270004a_100020591295_100000059708 [0,1,0,0,0,1|2,0,0]=4 1370 B17R2.4 C[C@@H](CO)CNCc1csc2c1cccc2 34a_100000744611_100000059175 [0,1,0,0,0,1|2,0,0]=4 1371 B17R2.4 C[C@@H](CO)COCc1csc2c1cccc2 34a_100011219454_100000059175 [0,1,0,0,0,1|2,0,0]=4 1372 B17R2.4 C[C@@H](CO)CSCc1csc2c1cccc2 62a_100000059175_200000742921 [0,1,0,0,0,1|2,0,0]=4 1373 B17R2.4 C[C@@H](CO)CSCc1csc2c1cccc2 62a_200000742921_100000059175 [0,1,0,0,0,1|2,0,0]=4 1374 B17R2.4 C[C@H](CO)NCCc1c[nH]c2c1cccc2 2230a_100000737577_100011218569 [0,1,0,0,0,1|1,0,0]=3 1375 B17R2.4 C[C@H](CO)NCCc1c[nH]c2c1cccn2 2230a_100000737577_100009895007 [0,1,0,0,0,1|2,0,0]=4 1376 B17R2.4 C[C@H](CO)SCCc1c[nH]c2c1cccc2 62a_100016084084_100011218569 [0,1,0,0,0,1|1,0,0]=3 1377 B17R2.4 C[C@H](CO)SCCc1c[nH]c2c1cccn2 62a_100016084084_100009895007 [0,1,0,0,0,1|2,0,0]=4 1378 B17R2.4 O=C(CF)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100015361967 [0,1,0,0,0,1|2,0,0]=4 1379 B17R2.4 O=C(CO)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000210174 [0,1,0,0,0,1|2,0,0]=4 1380 B17R2.4 O=C(CO)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000210174 [0,1,0,0,0,1|2,0,0]=4 1381 B17R2.16 C=C(C)C(=O)CCc1c[nH]c2c1cccc2 1458a_100000185857_100011218569 [0,1,0,0,0,1|1,0,1]=4 1382 B17R2.16 CC(C)C(=O)CCc1c[nH]c2c1cccc2 1458a_100000210198_100011218569 [0,1,0,0,0,1|1,0,0]=3 1383 B17R2.16 CC(C)C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210206 [0,1,0,0,0,1|1,0,0]=3 1384 B17R2.16 CC(C)C(=O)CCc1c[nH]c2c1cccn2 1458a_100000210198_100009895007 [0,1,0,0,0,1|2,0,0]=4 1385 B17R2.16 CC(C)C(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000210206 [0,1,0,0,0,1|2,0,0]=4 1386 B17R2.16 CC(C)C(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210198 [0,1,0,0,0,1|1,0,1]=4 1387 B17R2.16 CC(C)C(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210198 [0,1,0,0,0,1|1,0,1]=4 1388 B17R2.16 CC(C)C(C)NCc1c[nH]c2c1ccnc2 270004a_100000211541_100000087688 [0,1,0,0,0,1|2,0,0]=4 1389 B17R2.16 CC(C)C(C)NCc1coc2c1cccc2 207a_100000211541_100000688544 [0,1,0,0,0,1|2,0,0]=4 1390 B17R2.16 CC(C)C(C)NCc1coc2c1cccc2 270004a_100000211541_100000688544 [0,1,0,0,0,1|2,0,0]=4 1391 B17R2.16 CC(C)C(C)NCc1csc2c1cccc2 207a_100000211541_100000239721 [0,1,0,0,0,1|2,0,0]=4 1392 B17R2.16 CC(C)C(C)NCc1csc2c1cccc2 2230a_100000211541_200000742921 [0,1,0,0,0,1|2,0,0]=4 1393 B17R2.16 CC(C)C(C)NCc1csc2c1cccc2 270004a_100000211541_100000239721 [0,1,0,0,0,1|2,0,0]=4 1394 B17R2.16 CC(C)C(C)NCc1n[nH]c2c1cccc2 207a_100000211541_100000059708 [0,1,0,0,0,1|2,0,0]=4 1395 B17R2.16 CC(C)C(C)NCc1n[nH]c2c1cccc2 270004a_100000211541_100000059708 [0,1,0,0,0,1|2,0,0]=4 1396 B17R2.16 CC(C)N(C)CCc1c[nH]c2c1cccc2 269982a_200000211004_100011218569 [0,1,0,0,0,1|1,0,0]=3 1397 B17R2.16 CC(C)N(C)CCc1c[nH]c2c1cccn2 269982a_200000211004_100009895007 [0,1,0,0,0,1|2,0,0]=4 1398 B17R2.16 CC(CCc1c[nH]c2c1cccc2)N(C)C 270004a_100102631434_100102524982 [0,1,0,0,0,1|0,0,0]=2 1399 B17R2.16 CC(F)C(=O)CCc1c[nH]c2c1cccc2 1458a_100000062450_100011218569 [0,1,0,0,0,1|2,0,0]=4 1400 B17R2.16 CN(C)C(=O)C=Cc1c[nH]c2c1cccc2 240690a_100102631434_100016263948 [0,1,0,0,0,1|0,0,2]=4 1401 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cccc2 11a_100102631434_100000211458 [0,1,0,0,0,1|0,0,0]=2 1402 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cccc2 1626a_100102631434_100000211458 [0,1,0,0,0,1|0,0,0]=2 1403 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cccc2 240690a_100102631434_100000211458 [0,1,0,0,0,1|0,0,0]=2 1404 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cccc2 527a_100102631434_100000211458 [0,1,0,0,0,1|0,0,0]=2 1405 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cccn2 11a_100102631434_100102525369 [0,1,0,0,0,1|1,0,0]=3 1406 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cccn2 240690a_100102631434_100102525369 [0,1,0,0,0,1|1,0,0]=3 1407 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cccn2 271570a_200010232142_100011934613 [0,1,0,0,0,1|1,0,0]=3 1408 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cccn2 527a_100102631434_100102525369 [0,1,0,0,0,1|1,0,0]=3 1409 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1ccnc2 271570a_200010232142_100010232032 [0,1,0,0,0,1|1,0,0]=3 1410 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cncc2 271570a_200010232142_100011934843 [0,1,0,0,0,1|1,0,0]=3 1411 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1cncn2 271570a_200010232142_100009817560 [0,1,0,0,0,1|2,0,0]=4 1412 B17R2.16 CN(C)C(=O)CCc1c[nH]c2c1nccc2 271570a_200010232142_100009817151 [0,1,0,0,0,1|1,0,0]=3 1413 B17R2.16 CN(C)C(=O)CCc1cnc2n1cccc2 271570a_200010232142_100011219245 [0,1,0,0,0,1|1,0,1]=4 1414 B17R2.16 CN(C)C(=O)CCc1cnn2c1cccc2 271570a_200010232142_100009817726 [0,1,0,0,0,1|1,0,1]=4 1415 B17R2.16 CN(C)C(=O)CCc1coc2c1cccc2 271570a_200010232142_100009812202 [0,1,0,0,0,1|1,0,0]=3 1416 B17R2.16 CN(C)C(=O)CCc1coc2c1nccc2 271570a_200010232142_100009889148 [0,1,0,0,0,1|2,0,0]=4 1417 B17R2.16 CN(C)C(=O)CCc1csc2c1cccc2 271570a_200010232142_100009813928 [0,1,0,0,0,1|1,0,0]=3 1418 B17R2.16 CN(C)C(=O)CCc1csc2c1cccn2 271570a_200010232142_100009830249 [0,1,0,0,0,1|2,0,0]=4 1419 B17R2.16 CN(C)C(=O)CCc1csc2c1ccnc2 271570a_200010232142_100009817111 [0,1,0,0,0,1|2,0,0]=4 1420 B17R2.16 CN(C)C(=O)CCc1csc2c1cncc2 271570a_200010232142_100010247091 [0,1,0,0,0,1|2,0,0]=4 1421 B17R2.16 CN(C)C(=O)CCc1csc2c1nccc2 271570a_200010232142_100010247092 [0,1,0,0,0,1|2,0,0]=4 1422 B17R2.16 CN(C)C(=O)CCc1n[nH]c2c1cccc2 271570a_200010232142_100000050141 [0,1,0,0,0,1|1,0,0]=3 1423 B17R2.16 CN(C)C(=O)CCc1n[nH]c2c1cccn2 271570a_200010232142_100009888962 [0,1,0,0,0,1|2,0,0]=4 1424 B17R2.16 CN(C)C(=O)CCc1n[nH]c2c1ccnc2 271570a_200010232142_100010244369 [0,1,0,0,0,1|2,0,0]=4 1425 B17R2.16 CN(C)C(=O)CCc1n[nH]c2c1cncc2 271570a_200010232142_100010724670 [0,1,0,0,0,1|2,0,0]=4 1426 B17R2.16 CN(C)C(=O)CCc1n[nH]c2c1nccc2 271570a_200010232142_100009817118 [0,1,0,0,0,1|2,0,0]=4 1427 B17R2.16 CN(C)C(=O)CCn1ccc2c1cccc2 11a_100102631434_100000186764 [0,1,0,0,0,1|2,0,0]=4 1428 B17R2.16 CN(C)C(=O)CCn1ccc2c1cccc2 1626a_100102631434_100000186764 [0,1,0,0,0,1|2,0,0]=4 1429 B17R2.16 CN(C)C(=O)CCn1ccc2c1cccc2 527a_100102631434_100000186764 [0,1,0,0,0,1|2,0,0]=4 1430 B17R2.16 CN(C)C(=O)CCn1cnc2c1cccc2 240690a_100102631434_100000177575 [0,1,0,0,0,1|1,0,1]=4 1431 B17R2.16 CN(C)C(=O)CCn1cnc2c1cccc2 527a_100102631434_100000177575 [0,1,0,0,0,1|1,0,1]=4 1432 B17R2.16 CN(C)C(=O)COc1csc2c1cccc2 34a_100000077758_100000692301 [0,1,0,0,0,1|1,0,1]=4 1433 B17R2.16 CN(C)C(=O)COc1csc2c1cccc2 7a_100000077758_100000692301 [0,1,0,0,0,1|1,0,1]=4 1434 B17R2.16 CN(C)C(=O)CSc1c[nH]c2c1cccn2 62a_100000692301_100011934613 [0,1,0,0,0,1|1,0,1]=4 1435 B17R2.16 CN(C)C(=O)CSc1c[nH]c2c1ccnc2 62a_100000692301_100010232032 [0,1,0,0,0,1|1,0,1]=4 1436 B17R2.16 CN(C)C(=O)CSc1c[nH]c2c1cncc2 62a_100000692301_100000753697 [0,1,0,0,0,1|1,0,1]=4 1437 B17R2.16 CN(C)C(=O)CSc1c[nH]c2c1nccc2 62a_100000692301_100009817151 [0,1,0,0,0,1|1,0,1]=4 1438 B17R2.16 CN(C)C(=O)CSc1coc2c1cccc2 62a_100000692301_100009812202 [0,1,0,0,0,1|1,0,1]=4 1439 B17R2.16 CN(C)C(=O)CSc1csc2c1cccc2 62a_100000692301_100009813928 [0,1,0,0,0,1|1,0,1]=4 1440 B17R2.16 CN(C)C(=O)CSc1n[nH]c2c1cccc2 62a_100000692301_100000050141 [0,1,0,0,0,1|1,0,1]=4 1441 B17R2.16 CN(C)C(=O)NCc1c[nH]c2c1cccc2 2708a_100015202335_100102631434 [0,1,0,0,0,1|0,0,1]=3 1442 B17R2.16 CN(C)C(=O)NCc1csc2c1cccc2 2708a_100000744611_100102631434 [0,1,0,0,0,1|1,0,1]=4 1443 B17R2.16 C[C@@H](O)C(=O)CCc1c[nH]c2c1cccc2 1458a_100000717761_100011218569 [0,1,0,0,0,1|2,0,0]=4 1444 B17R2.16 C[C@H](O)C(=O)CCc1c[nH]c2c1cccc2 1458a_217856618621_100011218569 [0,1,0,0,0,1|2,0,0]=4 1445 B17R2.39 C=C(C)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000748629 [0,1,0,0,0,1|1,0,1]=4 1446 B17R2.39 CC(C)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210624 [0,1,0,0,0,1|1,0,0]=3 1447 B17R2.39 CC(C)CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000210624 [0,1,0,0,0,1|2,0,0]=4 1448 B17R2.39 CC(C)CC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000210624 [0,1,0,0,0,1|2,0,0]=4 1449 B17R2.39 CC(C)CC(=O)Cc1csc2c1cccc2 1458a_100000210554_200000742921 [0,1,0,0,0,1|2,0,0]=4 1450 B17R2.39 CC(C)CC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210624 [0,1,0,0,0,1|2,0,0]=4 1451 B17R2.39 CC(C)CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000210624 [0,1,0,0,0,1|2,0,0]=4 1452 B17R2.39 CC(C)CC(C)Oc1csc2c1cccc2 34a_100000077758_100000731052 [0,1,0,0,0,1|2,0,0]=4 1453 B17R2.39 CC(C)CC(C)Oc1csc2c1cccc2 7a_100000077758_100000731052 [0,1,0,0,0,1|2,0,0]=4 1454 B17R2.39 CC(C)CC(C)Sc1c[nH]c2c1cccn2 62a_100000731052_100011934613 [0,1,0,0,0,1|2,0,0]=4 1455 B17R2.39 CC(C)CC(C)Sc1c[nH]c2c1ccnc2 62a_100000731052_100010232032 [0,1,0,0,0,1|2,0,0]=4 1456 B17R2.39 CC(C)CC(C)Sc1c[nH]c2c1cncc2 62a_100000731052_100000753697 [0,1,0,0,0,1|2,0,0]=4 1457 B17R2.39 CC(C)CC(C)Sc1c[nH]c2c1nccc2 62a_100000731052_100009817151 [0,1,0,0,0,1|2,0,0]=4 1458 B17R2.39 CC(C)CC(C)Sc1coc2c1cccc2 62a_100000731052_100009812202 [0,1,0,0,0,1|2,0,0]=4 1459 B17R2.39 CC(C)CC(C)Sc1n[nH]c2c1cccc2 62a_100000731052_100000050141 [0,1,0,0,0,1|2,0,0]=4 1460 B17R2.39 CC(C)CN(C)Cc1c[nH]c2c1ccnc2 270004a_100000747067_100000087688 [0,1,0,0,0,1|2,0,0]=4 1461 B17R2.39 CC(C)CN(C)Cc1coc2c1cccc2 270004a_100000747067_100000688544 [0,1,0,0,0,1|2,0,0]=4 1462 B17R2.39 CC(C)CN(C)Cc1csc2c1cccc2 2230a_100000747067_200000742921 [0,1,0,0,0,1|2,0,0]=4 1463 B17R2.39 CC(C)CN(C)Cc1csc2c1cccc2 269982a_100000747067_200000742921 [0,1,0,0,0,1|2,0,0]=4 1464 B17R2.39 CC(C)CN(C)Cc1csc2c1cccc2 270004a_100000747067_100000239721 [0,1,0,0,0,1|2,0,0]=4 1465 B17R2.39 CC(C)CN(C)Cc1n[nH]c2c1cccc2 270004a_100000747067_100000059708 [0,1,0,0,0,1|2,0,0]=4 1466 B17R2.39 CC(C)NC(=O)Cc1c[nH]c2c1cccc2 11a_100138425928_100000183835 [0,1,0,0,0,1|1,0,1]=4 1467 B17R2.39 CC(C)NC(=O)Cc1c[nH]c2c1cccc2 240690a_100138425928_100000183835 [0,1,0,0,0,1|1,0,1]=4 1468 B17R2.39 CC(C)NC(=O)Cc1c[nH]c2c1cccc2 527a_100138425928_100000183835 [0,1,0,0,0,1|1,0,1]=4 1469 B17R2.39 CC(CN(C)C)Nc1n[nH]c2c1cccn2 27a_100016992788_100009818534 [0,1,0,0,0,1|2,0,0]=4 1470 B17R2.39 CC(CN(C)C)Nc1n[nH]c2c1cncc2 27a_100016992788_100009820117 [0,1,0,0,0,1|2,0,0]=4 1471 B17R2.39 CC(CN(C)C)Nc1n[nH]c2c1nccc2 27a_100016992788_100009817118 [0,1,0,0,0,1|2,0,0]=4 1472 B17R2.39 CC(CN(C)C)Sc1c[nH]c2c1cccn2 62a_100020606517_100011934613 [0,1,0,0,0,1|1,0,0]=3 1473 B17R2.39 CC(CN(C)C)Sc1c[nH]c2c1ccnc2 62a_100020606517_100010232032 [0,1,0,0,0,1|1,0,0]=3 1474 B17R2.39 CC(CN(C)C)Sc1c[nH]c2c1cncc2 62a_100020606517_100000753697 [0,1,0,0,0,1|1,0,0]=3 1475 B17R2.39 CC(CN(C)C)Sc1c[nH]c2c1cncn2 62a_100009817560_100020606517 [0,1,0,0,0,1|2,0,0]=4 1476 B17R2.39 CC(CN(C)C)Sc1c[nH]c2c1cncn2 62a_100020606517_100000072862 [0,1,0,0,0,1|2,0,0]=4 1477 B17R2.39 CC(CN(C)C)Sc1c[nH]c2c1nccc2 62a_100020606517_100009817151 [0,1,0,0,0,1|1,0,0]=3 1478 B17R2.39 CC(CN(C)C)Sc1c[nH]c2c1nccn2 62a_100020606517_100009819587 [0,1,0,0,0,1|2,0,0]=4 1479 B17R2.39 CC(CN(C)C)Sc1cnc2n1cccc2 62a_100020606517_100011219245 [0,1,0,0,0,1|1,0,1]=4 1480 B17R2.39 CC(CN(C)C)Sc1cnn2c1cccc2 62a_100020606517_100009817726 [0,1,0,0,0,1|1,0,1]=4 1481 B17R2.39 CC(CN(C)C)Sc1coc2c1cccc2 62a_100020606517_100009812202 [0,1,0,0,0,1|1,0,0]=3 1482 B17R2.39 CC(CN(C)C)Sc1coc2c1nccc2 62a_100020606517_100009889148 [0,1,0,0,0,1|2,0,0]=4 1483 B17R2.39 CC(CN(C)C)Sc1csc2c1cccc2 62a_100020606517_100009813928 [0,1,0,0,0,1|1,0,0]=3 1484 B17R2.39 CC(CN(C)C)Sc1csc2c1cccn2 62a_100009830249_100020606517 [0,1,0,0,0,1|2,0,0]=4 1485 B17R2.39 CC(CN(C)C)Sc1csc2c1cccn2 62a_100020606517_100009830249 [0,1,0,0,0,1|2,0,0]=4 1486 B17R2.39 CC(CN(C)C)Sc1csc2c1ccnc2 62a_100009817111_100020606517 [0,1,0,0,0,1|2,0,0]=4 1487 B17R2.39 CC(CN(C)C)Sc1csc2c1ccnc2 62a_100020606517_100009817111 [0,1,0,0,0,1|2,0,0]=4 1488 B17R2.39 CC(CN(C)C)Sc1csc2c1cncc2 62a_100010247091_100020606517 [0,1,0,0,0,1|2,0,0]=4 1489 B17R2.39 CC(CN(C)C)Sc1csc2c1cncc2 62a_100020606517_100010247091 [0,1,0,0,0,1|2,0,0]=4 1490 B17R2.39 CC(CN(C)C)Sc1csc2c1nccc2 62a_100020606517_100010247092 [0,1,0,0,0,1|2,0,0]=4 1491 B17R2.39 CC(CN(C)C)Sc1n[nH]c2c1cccc2 62a_100020606517_100000050141 [0,1,0,0,0,1|1,0,0]=3 1492 B17R2.39 CC(CN(C)C)Sc1n[nH]c2c1cccn2 62a_100020606517_100009888962 [0,1,0,0,0,1|2,0,0]=4 1493 B17R2.39 CC(CN(C)C)Sc1n[nH]c2c1ccnc2 62a_100020606517_100010244369 [0,1,0,0,0,1|2,0,0]=4 1494 B17R2.39 CC(CN(C)C)Sc1n[nH]c2c1cncc2 62a_100020606517_100009820117 [0,1,0,0,0,1|2,0,0]=4 1495 B17R2.39 CC(CN(C)C)Sc1n[nH]c2c1nccc2 62a_100020606517_100009817118 [0,1,0,0,0,1|2,0,0]=4 1496 B17R2.39 CC(CN(C)C)Sc1noc2c1cccc2 62a_100020606517_200000703156 [0,1,0,0,0,1|2,0,0]=4 1497 B17R2.39 CC(CN(C)C)Sc1noc2c1cccc2 62a_200000703156_100020606517 [0,1,0,0,0,1|2,0,0]=4 1498 B17R2.39 CC(O)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100011218427 [0,1,0,0,0,1|2,0,0]=4 1499 B17R2.39 CN(C)CC(=O)Cc1csc2c1cccc2 1458a_100000750896_200000742921 [0,1,0,0,0,1|1,0,0]=3 1500 B17R2.39 CN(C)CC(=O)Cc1noc2c1cccc2 1458a_100000750896_100009813815 [0,1,0,0,0,1|2,0,0]=4 1501 B17R2.39 C[S+](C)CC(=O)Cc1csc2c1cccc2 1458a_200159257847_200000742921 [0,1,0,0,0,1|2,0,0]=4 1502 B17R2.877 CC(C)CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210312 [0,1,0,0,0,1|2,0,0]=4 1503 B17R2.877 CC(C)CNC(C)c1coc2c1cccc2 269862a_100000210953_100000751042 [0,1,0,0,0,1|2,0,0]=4 1504 B17R2.877 CC(C)CNC(C)c1csc2c1cccc2 269862a_100000210953_100000689785 [0,1,0,0,0,1|2,0,0]=4 1505 B17R2.877 CC(C)CNC(C)c1n[nH]c2c1cccc2 269862a_100000210953_100000087549 [0,1,0,0,0,1|2,0,0]=4 1506 B17R2.877 CC(C)NCC(=O)c1c[nH]c2c1cccc2 2230a_100138425928_100000183220 [0,1,0,0,0,1|1,0,1]=4 1507 B17R2.877 CC(C)SCC(=O)c1c[nH]c2c1cccc2 62a_100000210206_100000183220 [0,1,0,0,0,1|1,0,1]=4 1508 B17R2.877 CN(C)CCN(C)c1n[nH]c2c1cccn2 27a_100000225618_100009818534 [0,1,0,0,0,1|2,0,0]=4 1509 B17R2.877 CN(C)CCN(C)c1n[nH]c2c1cncc2 27a_100000225618_100009820117 [0,1,0,0,0,1|2,0,0]=4 1510 B17R2.877 CN(C)CCN(C)c1n[nH]c2c1nccc2 27a_100000225618_100009817118 [0,1,0,0,0,1|2,0,0]=4 1511 B17R2.3413 CC(C)(C)CCOc1csc2c1cccc2 34a_100000077758_100000755188 [0,1,0,0,0,1|2,0,0]=4 1512 B17R2.3413 CC(C)(C)CCOc1csc2c1cccc2 7a_100000077758_100000755188 [0,1,0,0,0,1|2,0,0]=4 1513 B17R2.3413 CC(C)(C)CCSc1c[nH]c2c1cccn2 62a_100000755188_100011934613 [0,1,0,0,0,1|2,0,0]=4 1514 B17R2.3413 CC(C)(C)CCSc1c[nH]c2c1ccnc2 62a_100000755188_100010232032 [0,1,0,0,0,1|2,0,0]=4 1515 B17R2.3413 CC(C)(C)CCSc1c[nH]c2c1cncc2 62a_100000755188_100000753697 [0,1,0,0,0,1|2,0,0]=4 1516 B17R2.3413 CC(C)(C)CCSc1c[nH]c2c1nccc2 62a_100000755188_100009817151 [0,1,0,0,0,1|2,0,0]=4 1517 B17R2.3413 CC(C)(C)CCSc1coc2c1cccc2 62a_100000755188_100009812202 [0,1,0,0,0,1|2,0,0]=4 1518 B17R2.3413 CC(C)(C)CCSc1n[nH]c2c1cccc2 62a_100000755188_100000050141 [0,1,0,0,0,1|2,0,0]=4 1519 B17R2.3413 CC(C)(C)CNCc1c[nH]c2c1cccc2 270004a_100015202335_100011204126 [0,1,0,0,0,1|1,0,0]=3 1520 B17R2.3413 CC(C)(C)CNCc1c[nH]c2c1ccnc2 270004a_100000743828_100000087688 [0,1,0,0,0,1|2,0,0]=4 1521 B17R2.3413 CC(C)(C)CNCc1coc2c1cccc2 207a_100000743828_100000688544 [0,1,0,0,0,1|2,0,0]=4 1522 B17R2.3413 CC(C)(C)CNCc1coc2c1cccc2 270004a_100000743828_100000688544 [0,1,0,0,0,1|2,0,0]=4 1523 B17R2.3413 CC(C)(C)CNCc1csc2c1cccc2 207a_100000743828_100000239721 [0,1,0,0,0,1|2,0,0]=4 1524 B17R2.3413 CC(C)(C)CNCc1csc2c1cccc2 2230a_100000743828_200000742921 [0,1,0,0,0,1|2,0,0]=4 1525 B17R2.3413 CC(C)(C)CNCc1csc2c1cccc2 270004a_100000743828_100000239721 [0,1,0,0,0,1|2,0,0]=4 1526 B17R2.3413 CC(C)(C)CNCc1csc2c1cccc2 270004a_100000744611_100011204126 [0,1,0,0,0,1|2,0,0]=4 1527 B17R2.3413 CC(C)(C)CNCc1csc2c1cccc2 34a_100000744611_100011219605 [0,1,0,0,0,1|2,0,0]=4 1528 B17R2.3413 CC(C)(C)CNCc1n[nH]c2c1cccc2 207a_100000743828_100000059708 [0,1,0,0,0,1|2,0,0]=4 1529 B17R2.3413 CC(C)(C)CNCc1n[nH]c2c1cccc2 270004a_100000743828_100000059708 [0,1,0,0,0,1|2,0,0]=4 1530 B17R2.3413 CC(C)(C)COCc1csc2c1cccc2 34a_100011219454_100011219605 [0,1,0,0,0,1|2,0,0]=4 1531 B17R2.3413 CC(C)(C)NCCc1c[nH]c2c1cccc2 2230a_100000715429_100011218569 [0,1,0,0,0,1|1,0,0]=3 1532 B17R2.3413 CC(C)(C)NCCc1c[nH]c2c1cccn2 2230a_100000715429_100009895007 [0,1,0,0,0,1|2,0,0]=4 1533 B17R2.3413 CC(C)(C)NCCc1coc2c1cccc2 34a_100011934666_100000210625 [0,1,0,0,0,1|2,0,0]=4 1534 B17R2.3413 CC(C)(C)OCCc1c[nH]c2c1cccc2 34a_100000752351_100000210625 [0,1,0,0,0,1|1,0,0]=3 1535 B17R2.3413 CC(C)(C)OCCc1c[nH]c2c1cccc2 34a_100015890283_100011218569 [0,1,0,0,0,1|1,0,0]=3 1536 B17R2.3413 CC(C)(C)OCCc1c[nH]c2c1cccc2 7a_100015890283_100011218569 [0,1,0,0,0,1|1,0,0]=3 1537 B17R2.3413 CC(C)(C)OCCc1c[nH]c2c1cccn2 7a_100015890283_100009895007 [0,1,0,0,0,1|2,0,0]=4 1538 B17R2.3413 CC(C)(C)SCCc1c[nH]c2c1cccc2 62a_100000211941_100011218569 [0,1,0,0,0,1|1,0,0]=3 1539 B17R2.3413 CC(C)(C)SCCc1c[nH]c2c1cccn2 62a_100000211941_100009895007 [0,1,0,0,0,1|2,0,0]=4 1540 B17R2.3413 CC(C)(F)CNCc1c[nH]c2c1ccnc2 270004a_100020643315_100000087688 [0,1,0,0,0,1|2,0,0]=4 1541 B17R2.3413 CC(C)(F)CNCc1coc2c1cccc2 207a_100020643315_100000688544 [0,1,0,0,0,1|2,0,0]=4 1542 B17R2.3413 CC(C)(F)CNCc1coc2c1cccc2 270004a_100020643315_100000688544 [0,1,0,0,0,1|2,0,0]=4 1543 B17R2.3413 CC(C)(F)CNCc1csc2c1cccc2 207a_100020643315_100000239721 [0,1,0,0,0,1|2,0,0]=4 1544 B17R2.3413 CC(C)(F)CNCc1csc2c1cccc2 2230a_100020643315_200000742921 [0,1,0,0,0,1|2,0,0]=4 1545 B17R2.3413 CC(C)(F)CNCc1csc2c1cccc2 270004a_100020643315_100000239721 [0,1,0,0,0,1|2,0,0]=4 1546 B17R2.3413 CC(C)(F)CNCc1csc2c1cccc2 34a_100000744611_100011997219 [0,1,0,0,0,1|2,0,0]=4 1547 B17R2.3413 CC(C)(F)CNCc1n[nH]c2c1cccc2 207a_100020643315_100000059708 [0,1,0,0,0,1|2,0,0]=4 1548 B17R2.3413 CC(C)(F)CNCc1n[nH]c2c1cccc2 270004a_100020643315_100000059708 [0,1,0,0,0,1|2,0,0]=4 1549 B17R2.3413 CC(C)(F)COCc1csc2c1cccc2 34a_100000716592_200000742921 [0,1,0,0,0,1|2,0,0]=4 1550 B17R2.3413 CC(C)(F)COCc1csc2c1cccc2 34a_100011219454_100011997219 [0,1,0,0,0,1|2,0,0]=4 1551 B17R2.3413 CC(C)(F)CSCc1csc2c1cccc2 62a_100011997219_200000742921 [0,1,0,0,0,1|2,0,0]=4 1552 B17R2.3413 CC(C)(F)CSCc1csc2c1cccc2 62a_200000742921_100011997219 [0,1,0,0,0,1|2,0,0]=4 1553 B17R2.3413 CC(C)(O)CCOc1csc2c1cccc2 34a_100000077758_100000702414 [0,1,0,0,0,1|2,0,0]=4 1554 B17R2.3413 CC(C)(O)CCOc1csc2c1cccc2 7a_100000077758_100000702414 [0,1,0,0,0,1|2,0,0]=4 1555 B17R2.3413 CC(C)(O)CCSc1c[nH]c2c1cccn2 62a_100000702414_100011934613 [0,1,0,0,0,1|2,0,0]=4 1556 B17R2.3413 CC(C)(O)CCSc1c[nH]c2c1ccnc2 62a_100000702414_100010232032 [0,1,0,0,0,1|2,0,0]=4 1557 B17R2.3413 CC(C)(O)CCSc1c[nH]c2c1cncc2 62a_100000702414_100000753697 [0,1,0,0,0,1|2,0,0]=4 1558 B17R2.3413 CC(C)(O)CCSc1c[nH]c2c1nccc2 62a_100000702414_100009817151 [0,1,0,0,0,1|2,0,0]=4 1559 B17R2.3413 CC(C)(O)CCSc1coc2c1cccc2 62a_100000702414_100009812202 [0,1,0,0,0,1|2,0,0]=4 1560 B17R2.3413 CC(C)(O)CCSc1csc2c1cccc2 62a_100000702414_100009813928 [0,1,0,0,0,1|2,0,0]=4 1561 B17R2.3413 CC(C)(O)CCSc1n[nH]c2c1cccc2 62a_100000702414_100000050141 [0,1,0,0,0,1|2,0,0]=4 1562 B17R2.3413 CC(C)(O)CNCc1c[nH]c2c1ccnc2 270004a_100000751335_100000087688 [0,1,0,0,0,1|2,0,0]=4 1563 B17R2.3413 CC(C)(O)CNCc1coc2c1cccc2 207a_100000751335_100000688544 [0,1,0,0,0,1|2,0,0]=4 1564 B17R2.3413 CC(C)(O)CNCc1coc2c1cccc2 270004a_100000751335_100000688544 [0,1,0,0,0,1|2,0,0]=4 1565 B17R2.3413 CC(C)(O)CNCc1csc2c1cccc2 207a_100000751335_100000239721 [0,1,0,0,0,1|2,0,0]=4 1566 B17R2.3413 CC(C)(O)CNCc1csc2c1cccc2 2230a_100000751335_200000742921 [0,1,0,0,0,1|2,0,0]=4 1567 B17R2.3413 CC(C)(O)CNCc1csc2c1cccc2 270004a_100000751335_100000239721 [0,1,0,0,0,1|2,0,0]=4 1568 B17R2.3413 CC(C)(O)CNCc1csc2c1cccc2 34a_100000744611_100000764493 [0,1,0,0,0,1|2,0,0]=4 1569 B17R2.3413 CC(C)(O)CNCc1n[nH]c2c1cccc2 207a_100000751335_100000059708 [0,1,0,0,0,1|2,0,0]=4 1570 B17R2.3413 CC(C)(O)CNCc1n[nH]c2c1cccc2 270004a_100000751335_100000059708 [0,1,0,0,0,1|2,0,0]=4 1571 B17R2.3413 CC(C)(O)COCc1csc2c1cccc2 34a_100011219454_100000764493 [0,1,0,0,0,1|2,0,0]=4 1572 B17R2.3413 CC(C)(O)CSCc1csc2c1cccc2 62a_100000764493_200000742921 [0,1,0,0,0,1|2,0,0]=4 1573 B17R2.3413 CC(C)(O)CSCc1csc2c1cccc2 62a_200000742921_100000764493 [0,1,0,0,0,1|2,0,0]=4 1574 B17R2.3413 CS(=O)(=O)NCCc1c[nH]c2c1cccc2 40a_100000211132_100000738038 [0,1,0,0,0,1|2,0,0]=4 1575 B17R2.3413 C[N+](C)(C)CCOc1csc2c1cccc2 34a_100000077758_100000085578 [0,1,0,0,0,1|1,0,1]=4 1576 B17R2.3413 C[N+](C)(C)CCOc1csc2c1cccc2 7a_100000077758_100000085578 [0,1,0,0,0,1|1,0,1]=4 1577 B17R2.3413 C[N+](C)(C)CCSc1c[nH]c2c1cccn2 62a_100000085578_100011934613 [0,1,0,0,0,1|1,0,1]=4 1578 B17R2.3413 C[N+](C)(C)CCSc1c[nH]c2c1ccnc2 62a_100000085578_100010232032 [0,1,0,0,0,1|1,0,1]=4 1579 B17R2.3413 C[N+](C)(C)CCSc1c[nH]c2c1cncc2 62a_100000085578_100000753697 [0,1,0,0,0,1|1,0,1]=4 1580 B17R2.3413 C[N+](C)(C)CCSc1c[nH]c2c1nccc2 62a_100000085578_100009817151 [0,1,0,0,0,1|1,0,1]=4 1581 B17R2.3413 C[N+](C)(C)CCSc1coc2c1cccc2 62a_100000085578_100009812202 [0,1,0,0,0,1|1,0,1]=4 1582 B17R2.3413 C[N+](C)(C)CCSc1csc2c1cccc2 62a_100000085578_100009813928 [0,1,0,0,0,1|1,0,1]=4 1583 B17R2.3413 C[N+](C)(C)CCSc1n[nH]c2c1cccc2 62a_100000085578_100000050141 [0,1,0,0,0,1|1,0,1]=4 1584 B17R2.3413 C[N+](C)(C)CSCc1csc2c1cccc2 62a_200000036245_200000742921 [0,1,0,0,0,1|1,0,1]=4 1585 B17R2.3413 C[N+](C)(C)CSCc1csc2c1cccc2 62a_200000742921_200000036245 [0,1,0,0,0,1|1,0,1]=4 1586 B17R2.3413 C[Si](C)(C)CCOc1csc2c1cccc2 34a_100000077758_200000733723 [0,1,0,0,0,1|2,0,0]=4 1587 B17R2.3413 C[Si](C)(C)CCOc1csc2c1cccc2 7a_100000077758_200000733723 [0,1,0,0,0,1|2,0,0]=4 1588 B17R2.3413 C[Si](C)(C)CCSc1c[nH]c2c1cccn2 62a_200000733723_100011934613 [0,1,0,0,0,1|2,0,0]=4 1589 B17R2.3413 C[Si](C)(C)CCSc1c[nH]c2c1ccnc2 62a_200000733723_100010232032 [0,1,0,0,0,1|2,0,0]=4 1590 B17R2.3413 C[Si](C)(C)CCSc1c[nH]c2c1cncc2 62a_200000733723_100000753697 [0,1,0,0,0,1|2,0,0]=4 1591 B17R2.3413 C[Si](C)(C)CCSc1c[nH]c2c1nccc2 62a_200000733723_100009817151 [0,1,0,0,0,1|2,0,0]=4 1592 B17R2.3413 C[Si](C)(C)CCSc1coc2c1cccc2 62a_200000733723_100009812202 [0,1,0,0,0,1|2,0,0]=4 1593 B17R2.3413 C[Si](C)(C)CCSc1n[nH]c2c1cccc2 62a_200000733723_100000050141 [0,1,0,0,0,1|2,0,0]=4 1594 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)C 11a_100000709966_100015343762 [0,1,0,0,0,1|2,0,0]=4 1595 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)C 240690a_100000709966_100015343762 [0,1,0,0,0,1|2,0,0]=4 1596 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)C 527a_100000709966_100103153847 [0,1,0,0,0,1|2,0,0]=4 1597 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)F 11a_100000709932_100015343762 [0,1,0,0,0,1|2,0,0]=4 1598 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)F 240690a_100000709932_100015343762 [0,1,0,0,0,1|2,0,0]=4 1599 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)F 527a_100000709932_100103153847 [0,1,0,0,0,1|2,0,0]=4 1600 B17R2.3451 CC(C)CCSc1c[nH]c2c1ccc(n2)Cl 62a_100000210312_100010168512 [0,1,0,0,0,1|2,0,0]=4 1601 B17R2.3451 CC(C)CCSc1c[nH]c2c1ccc(n2)F 62a_100000210312_100010168364 [0,1,0,0,0,1|2,0,0]=4 1602 B17R2.3451 CC(C)CCSc1c[nH]c2c1cnc(c2)Br 62a_100000210312_100010206817 [0,1,0,0,0,1|2,0,0]=4 1603 B17R2.3451 CC(C)CCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000210312 [0,1,0,0,0,1|2,0,0]=4 1604 B17R2.3451 CC(C)CCSc1c[nH]c2c1cnc(c2)Cl 62a_100000210312_100010206812 [0,1,0,0,0,1|2,0,0]=4 1605 B17R2.3451 CC(C)CCSc1c[nH]c2c1ncc(c2)Br 62a_100000210312_100010208019 [0,1,0,0,0,1|2,0,0]=4 1606 B17R2.3451 CC(C)CCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000210312 [0,1,0,0,0,1|2,0,0]=4 1607 B17R2.3451 CC(C)CCSc1n[nH]c2c1ccc(c2)Br 62a_100000210312_100010186045 [0,1,0,0,0,1|2,0,0]=4 1608 B17R2.3451 CC(C)CCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000210312 [0,1,0,0,0,1|2,0,0]=4 1609 B17R2.3451 CC(C)CCSc1n[nH]c2c1ccc(c2)Cl 62a_100000210312_100000049627 [0,1,0,0,0,1|2,0,0]=4 1610 B17R2.3451 CC(C)CCSc1n[nH]c2c1ccc(c2)F 62a_100000210312_100000049990 [0,1,0,0,0,1|2,0,0]=4 1611 B17R2.3451 CC(C)CCSc1n[nH]c2c1ccc(c2)N 62a_100000210312_100009816878 [0,1,0,0,0,1|2,0,0]=4 1612 B17R2.3451 CC(C)CNCc1c[nH]c2c1ncc(c2)Br 270004a_100000210953_100010168556 [0,1,0,0,0,1|2,0,0]=4 1613 B17R2.3451 CC(C)CNCc1n[nH]c2c1ccc(c2)Br 207a_100000210953_100009817233 [0,1,0,0,0,1|2,0,0]=4 1614 B17R2.3451 CC(C)CNCc1n[nH]c2c1ccc(c2)Br 270004a_100000210953_100009817233 [0,1,0,0,0,1|2,0,0]=4 1615 B17R2.3451 CC(C)CNCc1n[nH]c2c1ccc(c2)Cl 207a_100000210953_100000086628 [0,1,0,0,0,1|2,0,0]=4 1616 B17R2.3451 CC(C)CNCc1n[nH]c2c1ccc(c2)Cl 270004a_100000210953_100000086628 [0,1,0,0,0,1|2,0,0]=4 1617 B17R2.3451 CC(C)CNCc1n[nH]c2c1ccc(c2)F 207a_100000210953_100000086633 [0,1,0,0,0,1|2,0,0]=4 1618 B17R2.3451 CC(C)CNCc1n[nH]c2c1ccc(c2)F 270004a_100000210953_100000086633 [0,1,0,0,0,1|2,0,0]=4 1619 B17R2.3451 CC(C)NCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_100000210206 [0,1,0,0,0,1|1,0,0]=3 1620 B17R2.3451 CC(C)OCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_100000210206 [0,1,0,0,0,1|1,0,0]=3 1621 B17R2.3451 CN(C)CCNc1n[nH]c2c1ncc(c2)Br 27a_100000210585_100010289622 [0,1,0,0,0,1|2,0,0]=4 1622 B17R2.3451 CN(C)CCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000755713 [0,1,0,0,0,1|1,0,0]=3 1623 B17R2.3451 CN(C)CCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000755713 [0,1,0,0,0,1|1,0,0]=3 1624 B17R2.3451 CN(C)CCSc1cnc2n1ccc(c2)Br 62a_100010730183_100000755713 [0,1,0,0,0,1|1,0,1]=4 1625 B17R2.3451 CN(C)CCSc1cnc2n1ccc(c2)F 62a_100020640160_100000755713 [0,1,0,0,0,1|1,0,1]=4 1626 B17R2.3451 CN(C)CCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000755713 [0,1,0,0,0,1|1,0,0]=3 1627 B17R2.3451 Cc1ccc2c(c[nH]c2c1)CCNC(C)C 2230a_100000709966_100000210206 [0,1,0,0,0,1|1,0,0]=3 1628 B17R2.3451 Cc1ccc2c(n[nH]c2c1)SCCC(C)C 62a_100000210312_100000049534 [0,1,0,0,0,1|2,0,0]=4 1629 B17R2.5025 CC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100015343762 [0,1,0,0,0,1|2,0,0]=4 1630 B17R2.5025 CC(=O)NCCc1c([nH]c2c1cccc2)C 527a_100000750322_100103153847 [0,1,0,0,0,1|2,0,0]=4 1631 B17R2.5025 CC(=O)NCCc1c([nH]c2c1cccc2)O 271570a_203496583355_200010188624 [0,1,0,0,0,1|2,0,0]=4 1632 B17R2.5025 CC(C)CCSC1C(=O)Nc2c1cccc2 62a_100000210312_200009996675 [0,1,0,0,0,1|1,0,1]=4 1633 B17R2.5025 CC(C)NCCn1c(=O)[nH]c2c1cccc2 2230a_100138425928_203549783246 [0,1,0,0,0,1|2,0,0]=4 1634 B17R2.5025 CN(C)CCCn1c(=O)[nH]c2c1cccc2 2230a_100102631434_100000184716 [0,1,0,0,0,1|1,0,0]=3 1635 B17R2.5025 CN(C)CCCn1c(=O)[nH]c2c1cccc2 269982a_100102631434_100000184716 [0,1,0,0,0,1|1,0,0]=3 1636 B17R2.5025 CN(C)CCSc1c2ccccc2nn1C 62a_100010163699_100000755713 [0,1,0,0,0,1|1,0,1]=4 1637 B17R2.5025 Cc1[nH]c2ncccc2c1SCCC(C)C 62a_100000210312_100010174266 [0,1,0,0,0,1|2,0,0]=4 1638 B17R2.5025 Cc1nc2ccccn2c1SCCN(C)C 62a_100000762796_100000755713 [0,1,0,0,0,1|1,0,1]=4 1639 B17R2.5025 Cc1oc2ccccc2c1SCCC(C)C 62a_100000210312_200010236113 [0,1,0,0,0,1|2,0,0]=4 1640 B17R2.5025 Cc1sc2ccccc2c1CNCC(C)C 207a_100000210953_100000066825 [0,1,0,0,0,1|2,0,0]=4 1641 B17R2.5025 Cc1sc2ccccc2c1CNCC(C)C 270004a_100000210953_100000066825 [0,1,0,0,0,1|2,0,0]=4 1642 B17R2.5025 Cc1sc2ccccc2c1SCCN(C)C 62a_100010002616_100000755713 [0,1,0,0,0,1|1,0,0]=3 1643 B17R2.25462 CC(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200000210301 [0,1,0,0,0,1|2,0,0]=4 1644 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100015343762 [0,1,0,0,0,1|2,0,0]=4 1645 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100103153847 [0,1,0,0,0,1|2,0,0]=4 1646 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100015343762 [0,1,0,0,0,1|2,0,0]=4 1647 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100015343762 [0,1,0,0,0,1|2,0,0]=4 1648 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100103153847 [0,1,0,0,0,1|2,0,0]=4 1649 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 11a_100000763428_100015343762 [0,1,0,0,0,1|2,0,0]=4 1650 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100015343762 [0,1,0,0,0,1|2,0,0]=4 1651 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100103153847 [0,1,0,0,0,1|2,0,0]=4 1652 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 11a_100000725365_100015343762 [0,1,0,0,0,1|2,0,0]=4 1653 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100015343762 [0,1,0,0,0,1|2,0,0]=4 1654 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100103153847 [0,1,0,0,0,1|2,0,0]=4 1655 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100015343762 [0,1,0,0,0,1|2,0,0]=4 1656 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100103153847 [0,1,0,0,0,1|2,0,0]=4 1657 B17R2.25462 CC(C)CCSc1c[nH]c2c1cc(cn2)Br 62a_100000210312_100011290788 [0,1,0,0,0,1|2,0,0]=4 1658 B17R2.25462 CC(C)CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000210312 [0,1,0,0,0,1|2,0,0]=4 1659 B17R2.25462 CC(C)CCSc1c[nH]c2c1cc(cn2)Cl 62a_100000210312_100000050100 [0,1,0,0,0,1|2,0,0]=4 1660 B17R2.25462 CC(C)CCSc1c[nH]c2c1cc(cn2)F 62a_100000210312_100010168383 [0,1,0,0,0,1|2,0,0]=4 1661 B17R2.25462 CC(C)CCSc1c[nH]c2c1cc(cn2)N 62a_100000210312_100010168510 [0,1,0,0,0,1|2,0,0]=4 1662 B17R2.25462 CC(C)CCSc1c[nH]c2c1cc(nc2)Cl 62a_100000210312_100010168685 [0,1,0,0,0,1|2,0,0]=4 1663 B17R2.25462 CC(C)CCSc1c[nH]c2c1nc(cc2)Br 62a_100000210312_100010168532 [0,1,0,0,0,1|2,0,0]=4 1664 B17R2.25462 CC(C)CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000210312 [0,1,0,0,0,1|2,0,0]=4 1665 B17R2.25462 CC(C)CCSc1c[nH]c2c1nc(cc2)Cl 62a_100000210312_100010168529 [0,1,0,0,0,1|2,0,0]=4 1666 B17R2.25462 CC(C)CCSc1csc2c1cc(cc2)N 62a_100000210312_100011178648 [0,1,0,0,0,1|2,0,0]=4 1667 B17R2.25462 CC(C)CCSc1csc2c1cc(cc2)N 62a_100011178648_100000210312 [0,1,0,0,0,1|2,0,0]=4 1668 B17R2.25462 CC(C)CCSc1n[nH]c2c1cc(cc2)Br 62a_100000210312_100010186058 [0,1,0,0,0,1|2,0,0]=4 1669 B17R2.25462 CC(C)CCSc1n[nH]c2c1cc(cc2)Cl 62a_100000210312_100010174404 [0,1,0,0,0,1|2,0,0]=4 1670 B17R2.25462 CC(C)CCSc1n[nH]c2c1cc(cc2)F 62a_100000210312_100011934747 [0,1,0,0,0,1|2,0,0]=4 1671 B17R2.25462 CC(C)CCSc1n[nH]c2c1cc(cc2)N 62a_100000210312_100012353729 [0,1,0,0,0,1|2,0,0]=4 1672 B17R2.25462 CC(C)CNCc1csc2c1cc(cc2)Br 207a_100000210953_100009814807 [0,1,0,0,0,1|2,0,0]=4 1673 B17R2.25462 CC(C)CNCc1csc2c1cc(cc2)Br 270004a_100000210953_100009814807 [0,1,0,0,0,1|2,0,0]=4 1674 B17R2.25462 CC(C)CNCc1csc2c1cc(cc2)Cl 207a_100000210953_100000040578 [0,1,0,0,0,1|2,0,0]=4 1675 B17R2.25462 CC(C)CNCc1csc2c1cc(cc2)Cl 2230a_100000210953_100009814428 [0,1,0,0,0,1|2,0,0]=4 1676 B17R2.25462 CC(C)CNCc1csc2c1cc(cc2)Cl 270004a_100000210953_100000040578 [0,1,0,0,0,1|2,0,0]=4 1677 B17R2.25462 CC(C)CNCc1csc2c1cc(cc2)Cl 34a_100000210953_100009814428 [0,1,0,0,0,1|2,0,0]=4 1678 B17R2.25462 CC(C)CNCc1csc2c1cc(cc2)F 2230a_100000210953_100010109839 [0,1,0,0,0,1|2,0,0]=4 1679 B17R2.25462 CC(C)CNCc1csc2c1cc(cc2)F 34a_100000210953_100010109839 [0,1,0,0,0,1|2,0,0]=4 1680 B17R2.25462 CC(C)CNCc1n[nH]c2c1cc(cc2)Br 207a_100000210953_100009888965 [0,1,0,0,0,1|2,0,0]=4 1681 B17R2.25462 CC(C)CNCc1n[nH]c2c1cc(cc2)Br 270004a_100000210953_100009888965 [0,1,0,0,0,1|2,0,0]=4 1682 B17R2.25462 CC(C)CNCc1n[nH]c2c1cc(cc2)Cl 207a_100000210953_100000086617 [0,1,0,0,0,1|2,0,0]=4 1683 B17R2.25462 CC(C)CNCc1n[nH]c2c1cc(cc2)Cl 270004a_100000210953_100000086617 [0,1,0,0,0,1|2,0,0]=4 1684 B17R2.25462 CC(C)CNCc1n[nH]c2c1cc(cc2)F 207a_100000210953_100000084349 [0,1,0,0,0,1|2,0,0]=4 1685 B17R2.25462 CC(C)CNCc1n[nH]c2c1cc(cc2)F 270004a_100000210953_100000084349 [0,1,0,0,0,1|2,0,0]=4 1686 B17R2.25462 CC(C)COCc1csc2c1cc(cc2)Cl 34a_100000210257_100009814428 [0,1,0,0,0,1|2,0,0]=4 1687 B17R2.25462 CC(C)COCc1csc2c1cc(cc2)Cl 34a_200000043707_100000210624 [0,1,0,0,0,1|2,0,0]=4 1688 B17R2.25462 CC(C)COCc1csc2c1cc(cc2)Cl 7a_200000043707_100000210760 [0,1,0,0,0,1|2,0,0]=4 1689 B17R2.25462 CC(C)COCc1csc2c1cc(cc2)F 34a_100000210257_100010109839 [0,1,0,0,0,1|2,0,0]=4 1690 B17R2.25462 CC(C)CSCc1csc2c1cc(cc2)F 62a_100000210624_100010109839 [0,1,0,0,0,1|2,0,0]=4 1691 B17R2.25462 CC(C)CSCc1csc2c1cc(cc2)F 62a_100010109839_100000210760 [0,1,0,0,0,1|2,0,0]=4 1692 B17R2.25462 CC(C)NCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100000210206 [0,1,0,0,0,1|1,0,0]=3 1693 B17R2.25462 CC(C)NCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100000210206 [0,1,0,0,0,1|1,0,0]=3 1694 B17R2.25462 CC(C)NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100000210206 [0,1,0,0,0,1|1,0,0]=3 1695 B17R2.25462 CC(C)NCCc1csc2c1cc(cc2)Br 2230a_100016989105_100000210206 [0,1,0,0,0,1|2,0,0]=4 1696 B17R2.25462 CC(C)NCCc1csc2c1cc(cc2)Br 34a_100016989105_100000210206 [0,1,0,0,0,1|2,0,0]=4 1697 B17R2.25462 CC(C)OCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100000210206 [0,1,0,0,0,1|1,0,0]=3 1698 B17R2.25462 CN(C)CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000755713 [0,1,0,0,0,1|1,0,0]=3 1699 B17R2.25462 CN(C)CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000755713 [0,1,0,0,0,1|1,0,0]=3 1700 B17R2.25462 CN(C)CCSc1c[nH]c2c1nc(cn2)Br 62a_100010212349_100000755713 [0,1,0,0,0,1|2,0,0]=4 1701 B17R2.25462 CN(C)CCSc1cnc2n1cc(cc2)Br 62a_100012343615_100000755713 [0,1,0,0,0,1|1,0,1]=4 1702 B17R2.25462 CN(C)CCSc1cnc2n1cc(cc2)Cl 62a_200012351726_100000755713 [0,1,0,0,0,1|1,0,1]=4 1703 B17R2.25462 CN(C)CCSc1cnc2n1cc(cc2)F 62a_100012350704_100000755713 [0,1,0,0,0,1|1,0,1]=4 1704 B17R2.25462 CN(C)CCSc1cnc2n1cc(cc2)N 62a_102495324787_100000755713 [0,1,0,0,0,1|1,0,1]=4 1705 B17R2.25462 CN(C)CCSc1cnn2c1cc(cc2)Br 62a_100015721393_100000755713 [0,1,0,0,0,1|1,0,1]=4 1706 B17R2.25462 CN(C)CCSc1csc2c1cc(cc2)N 62a_100011178648_100000755713 [0,1,0,0,0,1|1,0,0]=3 1707 B17R2.25462 CN(C)CCSc1n[nH]c2c1cc(cn2)Br 62a_100010212350_100000755713 [0,1,0,0,0,1|2,0,0]=4 1708 B17R2.25462 CN(C)CCSc1n[nH]c2c1cc(nc2)Br 62a_100010296430_100000755713 [0,1,0,0,0,1|2,0,0]=4 1709 B17R2.25462 Cc1ccc2[nH]cc(c2c1)CCNC(C)C 2230a_100000008874_100000210206 [0,1,0,0,0,1|1,0,0]=3 1710 B17R2.25462 Cc1ccc2[nH]cc(c2n1)SCCC(C)C 62a_100000210312_100010212567 [0,1,0,0,0,1|2,0,0]=4 1711 B17R2.25462 Cc1ccc2[nH]nc(c2c1)CNCC(C)C 207a_100000210953_100000050950 [0,1,0,0,0,1|2,0,0]=4 1712 B17R2.25462 Cc1ccc2[nH]nc(c2c1)CNCC(C)C 270004a_100000210953_100000050950 [0,1,0,0,0,1|2,0,0]=4 1713 B17R2.25462 Cc1ccc2[nH]nc(c2c1)SCCC(C)C 62a_100000210312_100000123028 [0,1,0,0,0,1|2,0,0]=4 1714 B17R2.25462 Cc1cnc2[nH]cc(c2c1)SCCC(C)C 62a_100000210312_100010246215 [0,1,0,0,0,1|2,0,0]=4 1715 B17R2.25462 [13CH3]C(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200025704644 [0,1,0,0,0,1|2,0,0]=4 1716 B17R2.37440 CC(=O)NCCc1c[nH]c2c1cccc2C 11a_100015184521_100015343762 [0,1,0,0,0,1|2,0,0]=4 1717 B17R2.37440 CC(=O)NCCc1c[nH]c2c1cccc2C 240690a_100015184521_100015343762 [0,1,0,0,0,1|2,0,0]=4 1718 B17R2.37440 CC(=O)NCCc1c[nH]c2c1cccc2C 527a_100015184521_100103153847 [0,1,0,0,0,1|2,0,0]=4 1719 B17R2.37440 CC(C)CCSc1c[nH]c2c1nccc2Cl 62a_100000210312_100010168581 [0,1,0,0,0,1|2,0,0]=4 1720 B17R2.37440 CC(C)CCSc1n[nH]c2c1cccc2Br 62a_100000210312_100010197283 [0,1,0,0,0,1|2,0,0]=4 1721 B17R2.37440 CC(C)CCSc1n[nH]c2c1cccc2Cl 62a_100000210312_100000050086 [0,1,0,0,0,1|2,0,0]=4 1722 B17R2.37440 CC(C)CCSc1n[nH]c2c1cccc2F 62a_100000210312_100010231504 [0,1,0,0,0,1|2,0,0]=4 1723 B17R2.37440 CC(C)CCSc1n[nH]c2c1cccc2N 62a_100000210312_100009888981 [0,1,0,0,0,1|2,0,0]=4 1724 B17R2.37440 CC(C)CCSc1n[nH]c2c1cccc2O 62a_100000210312_200010988877 [0,1,0,0,0,1|2,0,0]=4 1725 B17R2.37440 CC(C)CNCc1c[nH]c2c1cccc2Br 270004a_100000210953_100009814786 [0,1,0,0,0,1|1,0,0]=3 1726 B17R2.37440 CC(C)CNCc1c[nH]c2c1cccc2Cl 270004a_100000210953_100011361501 [0,1,0,0,0,1|1,0,0]=3 1727 B17R2.37440 CC(C)CNCc1n[nH]c2c1cccc2Br 207a_100000210953_100009814788 [0,1,0,0,0,1|2,0,0]=4 1728 B17R2.37440 CC(C)CNCc1n[nH]c2c1cccc2Br 270004a_100000210953_100009814788 [0,1,0,0,0,1|2,0,0]=4 1729 B17R2.37440 CC(O)CNCc1c[nH]c2c1cccc2Br 270004a_100000210904_100009814786 [0,1,0,0,0,1|2,0,0]=4 1730 B17R2.37440 CC(O)CNCc1c[nH]c2c1cccc2Cl 270004a_100000210904_100011361501 [0,1,0,0,0,1|2,0,0]=4 1731 B17R2.37440 CN(C)CCSc1cnc2n1cccc2Br 62a_100013004016_100000755713 [0,1,0,0,0,1|1,0,1]=4 1732 B17R2.37440 CN(C)CCSc1cnc2n1cccc2F 62a_100009817165_100000755713 [0,1,0,0,0,1|1,0,1]=4 1733 B17R2.37440 Cc1cccc2c1[nH]cc2CCNC(C)C 2230a_100015184521_100000210206 [0,1,0,0,0,1|1,0,0]=3 1734 B17R2.37440 Cc1cccc2c1[nH]cc2CNCC(C)C 270004a_100000210953_100000040139 [0,1,0,0,0,1|1,0,0]=3 1735 B17R2.37440 Cc1cccc2c1[nH]cc2CNCC(C)O 270004a_100000210904_100000040139 [0,1,0,0,0,1|2,0,0]=4 1736 B17R2.37440 Cc1cccc2c1[nH]nc2CNCC(C)C 207a_100000210953_100000050344 [0,1,0,0,0,1|2,0,0]=4 1737 B17R2.37440 Cc1cccc2c1[nH]nc2CNCC(C)C 270004a_100000210953_100000050344 [0,1,0,0,0,1|2,0,0]=4 1738 B17R2.37440 Cc1cccc2c1[nH]nc2SCCC(C)C 62a_100000210312_100010186057 [0,1,0,0,0,1|2,0,0]=4 1739 B17R2.37553 CC(C)CCSc1c[nH]c2c1c(ccn2)Br 62a_100000210312_100010212587 [0,1,0,0,0,1|2,0,0]=4 1740 B17R2.37553 CC(C)CCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000210312 [0,1,0,0,0,1|2,0,0]=4 1741 B17R2.37553 CC(C)CCSc1c[nH]c2c1c(ccn2)Cl 62a_100000210312_100011356983 [0,1,0,0,0,1|2,0,0]=4 1742 B17R2.37553 CC(C)CCSc1c[nH]c2c1c(ccn2)F 62a_100000210312_100010168365 [0,1,0,0,0,1|2,0,0]=4 1743 B17R2.37553 CC(C)CCSc1n[nH]c2c1c(ccc2)Br 62a_100000210312_100010186043 [0,1,0,0,0,1|2,0,0]=4 1744 B17R2.37553 CC(C)CCSc1n[nH]c2c1c(ccc2)Cl 62a_100000210312_100000049730 [0,1,0,0,0,1|2,0,0]=4 1745 B17R2.37553 CC(C)CCSc1n[nH]c2c1c(ccc2)F 62a_100000210312_100000049989 [0,1,0,0,0,1|2,0,0]=4 1746 B17R2.37553 CC(C)CCSc1n[nH]c2c1c(ccc2)N 62a_100000210312_100010186038 [0,1,0,0,0,1|2,0,0]=4 1747 B17R2.37553 CC(C)OCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_100000210206 [0,1,0,0,0,1|1,0,0]=3 1748 B17R2.37553 CN(C)CCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000755713 [0,1,0,0,0,1|1,0,0]=3 1749 B17R2.37553 CN(C)CCSc1c[nH]c2c1c(ncn2)N 62a_100010179808_100000755713 [0,1,0,0,0,1|2,0,0]=4 1750 B17R2.37553 CN(C)CCSc1coc2c1c(ncc2)N 62a_200010135222_100000755713 [0,1,0,0,0,1|2,0,0]=4 1751 B17R2.37553 CN(C)CCSc1csc2c1c(ncc2)N 62a_200010188537_100000755713 [0,1,0,0,0,1|2,0,0]=4 1752 B17R2.37553 CN(C)CCSc1n[nH]c2c1c(ncc2)Br 62a_100010370910_100000755713 [0,1,0,0,0,1|2,0,0]=4 1753 B17R2.37553 Cc1cccc2c1c(n[nH]2)SCCC(C)C 62a_100000210312_100000049903 [0,1,0,0,0,1|2,0,0]=4 1754 B17R2.78537 C=C(C)CNCc1cn(c2c1cccc2)C 34a_100011997738_100000748629 [0,1,0,0,0,1|1,0,1]=4 1755 B17R2.78537 CC(C)CCSc1cn(c2c1cccn2)C 62a_100000210312_100010205794 [0,1,0,0,0,1|2,0,0]=4 1756 B17R2.78537 CC(C)CCSc1nn(c2c1cccc2)C 62a_100000210312_100009817141 [0,1,0,0,0,1|2,0,0]=4 1757 B17R2.78537 CC(C)CCSc1nn(c2c1cccc2)C 62a_100009817141_100000210312 [0,1,0,0,0,1|2,0,0]=4 1758 B17R2.78537 CC(C)CNCc1cn(c2c1cccc2)C 270004a_100011997738_100000210432 [0,1,0,0,0,1|1,0,0]=3 1759 B17R2.78537 CC(C)CNCc1cn(c2c1cccc2)C 34a_100011997738_100000210624 [0,1,0,0,0,1|1,0,0]=3 1760 B17R2.78537 CC(C)CNCc1nn(c2c1cccc2)C 207a_100000210953_100011361492 [0,1,0,0,0,1|2,0,0]=4 1761 B17R2.78537 CC(C)CNCc1nn(c2c1cccc2)C 270004a_100000210953_100011361492 [0,1,0,0,0,1|2,0,0]=4 1762 B17R2.78537 CC(C)CNCc1nn(c2c1cccc2)C 270004a_200011934655_100000210432 [0,1,0,0,0,1|2,0,0]=4 1763 B17R2.78537 CC(C)CNCc1nn(c2c1cccc2)C 34a_200011934655_100000210624 [0,1,0,0,0,1|2,0,0]=4 1764 B17R2.78537 CC(C)COCc1nn(c2c1cccc2)C 34a_100011934675_100000210624 [0,1,0,0,0,1|2,0,0]=4 1765 B17R2.78537 CC(C)OCCc1cn(c2c1cccc2)C 34a_100000101561_100000210206 [0,1,0,0,0,1|1,0,0]=3 1766 B17R2.78537 CC(O)CNCc1cn(c2c1cccc2)C 34a_100011997738_100011218427 [0,1,0,0,0,1|2,0,0]=4 1767 B17R2.78537 CN(C)CCNc1cn(c2c1cncn2)C 27a_100000210585_200011012545 [0,1,0,0,0,1|2,0,0]=4 1768 B17R2.78537 CN(C)CCNc1nn(c2c1cccn2)C 27a_100000210585_100010248644 [0,1,0,0,0,1|2,0,0]=4 1769 B17R2.78537 CN(C)CCSc1cn(c2c1cncn2)C 62a_200011012545_100000755713 [0,1,0,0,0,1|2,0,0]=4 1770 B17R2.78537 CN(C)CCSc1nn(c2c1cccc2)C 62a_100009817141_100000755713 [0,1,0,0,0,1|1,0,0]=3 1771 B17R2.78537 CN(C)CCSc1nn(c2c1cccn2)C 62a_100010248644_100000755713 [0,1,0,0,0,1|2,0,0]=4 1772 B17R2.78537 C[C@@H](O)CNCc1cn(c2c1cccc2)C 34a_100011997738_100009817552 [0,1,0,0,0,1|2,0,0]=4 1773 B17R2.5006 CC(=O)CCc1nc2ccccc2[nH]c1=O 1458a_100000010020_200000210301 [0,1,0,0,0,1|2,0,0]=4 1774 B17R2.5006 CC(C)SCc1nc2ccccc2[nH]c1=O 62a_100000736137_100000210206 [0,1,0,0,0,1|2,0,0]=4 1775 B17R2.5006 CN(C)CCc1cc2ccccc2nc1Cl 2230a_100102631434_100000066995 [0,1,0,0,0,1|0,0,1]=3 1776 B17R2.5006 [13CH3]C(=O)CCc1nc2ccccc2[nH]c1=O 1458a_100000010020_200025704644 [0,1,0,0,0,1|2,0,0]=4 1777 B17R2.9167 CC(Cc1ccc2ccccc2n1)N(C)C 270004a_100102631434_100011245913 [0,1,0,0,0,1|1,0,0]=3 1778 B17R2.9167 CN(C)C(=O)Cc1ccc2ccccc2c1 11a_100102631434_100000181716 [0,1,0,0,0,1|1,0,1]=4 1779 B17R2.9167 CN(C)C(=O)Cc1ccc2ccccc2c1 1626a_100102631434_100000181716 [0,1,0,0,0,1|1,0,1]=4 1780 B17R2.9167 CN(C)C(=O)Cc1ccc2ccccc2c1 240690a_100102631434_100000181716 [0,1,0,0,0,1|1,0,1]=4 1781 B17R2.9167 CN(C)C(=O)Cc1ccc2ccccc2c1 527a_100102631434_100000181716 [0,1,0,0,0,1|1,0,1]=4 1782 B17R2.18967 CC(C)C[C@H](N)c1ccc2ccccc2c1 271570a_100015190218_100000233703 [0,1,0,0,0,1|2,0,0]=4 1783 B17R2.18967 CC(C)C[C@H](N)c1ccc2ccccc2n1 271570a_100015190218_100011291633 [0,1,0,0,0,1|2,0,0]=4 1784 B17R2.18967 CC(C)C[C@H](N)c1cnc2ccccc2c1 271570a_100015190218_100000737414 [0,1,0,0,0,1|1,0,1]=4 1785 B17R2.18967 CC(C)C[C@H](N)c1cnc2ccccc2n1 271570a_100015190218_100000756483 [0,1,0,0,0,1|1,0,1]=4 1786 B17R2.18967 CN(C)CC(=O)c1ccc2ccccc2c1 2230a_100102631434_100000211431 [0,1,0,0,0,1|1,0,1]=4 1787 B17R2.18967 CN(C)CC(=O)c1ccc2ccccc2c1 269982a_100102631434_100000211431 [0,1,0,0,0,1|1,0,1]=4 1788 B17R2.155580 CC(C)CSc1c[nH]c2ccccc2c1=O 62a_100000210624_100012348052 [0,1,0,0,0,1|2,0,0]=4 1789 B17R2.155580 CN(C)CCn1cnc2ccccc2c1=O 2230a_100102631434_200000757059 [0,1,0,0,0,1|1,0,1]=4 1790 B17R2.155580 CN(C)CCn1cnc2ccccc2c1=O 269982a_100102631434_200000757059 [0,1,0,0,0,1|1,0,1]=4 1791 B17R2.5014 CC(C)CNc1cc(=O)[nH]c2c1cccc2 27a_100000210953_100000075698 [0,1,0,0,0,1|2,0,0]=4 1792 B17R2.5014 CC(C)CSc1cc(=O)[nH]c2c1cccc2 62a_100000210624_100000075698 [0,1,0,0,0,1|2,0,0]=4 1793 B17R2.353364 CCN(C)CCc1cccc2c1cccc2 2230a_100000225621_100011290781 [0,1,0,0,0,1|1,0,0]=3 1794 B17R2.353364 CCN(C)CCc1cccc2c1cccc2 269982a_100000225621_100011290781 [0,1,0,0,0,1|1,0,0]=3 1795 B17R2.520754 CN(C)C(=O)Cc1cccc2c1cccc2 11a_100102631434_100000186155 [0,1,0,0,0,1|1,0,1]=4 1796 B17R2.520754 CN(C)C(=O)Cc1cccc2c1cccc2 1626a_100102631434_100000186155 [0,1,0,0,0,1|1,0,1]=4 1797 B17R2.520754 CN(C)C(=O)Cc1cccc2c1cccc2 240690a_100102631434_100000186155 [0,1,0,0,0,1|1,0,1]=4 1798 B17R2.520754 CN(C)C(=O)Cc1cccc2c1cccc2 527a_100102631434_100000186155 [0,1,0,0,0,1|1,0,1]=4 1799 B17R2.712041 CC(C)C[C@H](N)c1cccc2c1cccc2 271570a_100015190218_100000210605 [0,1,0,0,0,1|2,0,0]=4 1800 B17R2.712041 CC(C)C[C@H](N)c1ccnc2c1cccc2 271570a_100015190218_100011215880 [0,1,0,0,0,1|1,0,1]=4 1801 B17R2.712041 CC(C)C[C@H](N)c1cncc2c1cccc2 271570a_100015190218_100000187577 [0,1,0,0,0,1|1,0,1]=4 1802 B17R2.712041 CC(C)C[C@H](N)c1cnnc2c1cccc2 271570a_100015190218_100000063506 [0,1,0,0,0,1|1,0,1]=4 1803 B17R2.712041 CC(C)C[C@H](N)c1nccc2c1cccc2 271570a_100015190218_100011934041 [0,1,0,0,0,1|2,0,0]=4 1804 B17R2.712041 CC(C)C[C@H](N)c1ncnc2c1cccc2 271570a_100015190218_100000217608 [0,1,0,0,0,1|1,0,1]=4 1805 B17R2.712041 CN(C)CC(=O)c1cccc2c1cccc2 2230a_100102631434_100000211450 [0,1,0,0,0,1|1,0,1]=4 1806 B17R2.712041 CN(C)CC(=O)c1cccc2c1cccc2 269982a_100102631434_100000211450 [0,1,0,0,0,1|1,0,1]=4 1807 B17R2.7 CCC(C)C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000758301 [0,2,0,0,0,0|1,0,1]=4 1808 B17R2.7 CCN(C)C(=O)Cc1c[nH]c2c1cccc2 11a_100000225621_100000183835 [0,2,0,0,0,0|0,0,1]=3 1809 B17R2.7 CCN(C)C(=O)Cc1c[nH]c2c1cccc2 240690a_100000225621_100000183835 [0,2,0,0,0,0|0,0,1]=3 1810 B17R2.7 CCN(C)C(=O)Cc1c[nH]c2c1cccc2 527a_100000225621_100000183835 [0,2,0,0,0,0|0,0,1]=3 1811 B17R2.7 CCN(C)C(=O)Cc1c[nH]c2c1cccn2 11a_100000225621_100000687015 [0,2,0,0,0,0|1,0,1]=4 1812 B17R2.7 CCN(C)C(=O)Cc1c[nH]c2c1cccn2 240690a_100000225621_100000687015 [0,2,0,0,0,0|1,0,1]=4 1813 B17R2.7 CCN(C)C(=O)Cc1c[nH]c2c1cccn2 527a_100000225621_100000687015 [0,2,0,0,0,0|1,0,1]=4 1814 B17R2.7 CCN(C)C(=O)Cc1coc2c1cccc2 11a_100000225621_100000217546 [0,2,0,0,0,0|1,0,1]=4 1815 B17R2.7 CCN(C)C(=O)Cc1coc2c1cccc2 1626a_100000225621_100000217546 [0,2,0,0,0,0|1,0,1]=4 1816 B17R2.7 CCN(C)C(=O)Cc1coc2c1cccc2 240690a_100000225621_100000217546 [0,2,0,0,0,0|1,0,1]=4 1817 B17R2.7 CCN(C)C(=O)Cc1coc2c1cccc2 527a_100000225621_100000217546 [0,2,0,0,0,0|1,0,1]=4 1818 B17R2.7 CCN(C)C(=O)Cc1csc2c1cccc2 11a_100000225621_100000741031 [0,2,0,0,0,0|1,0,1]=4 1819 B17R2.7 CCN(C)C(=O)Cc1csc2c1cccc2 1626a_100000225621_100000741031 [0,2,0,0,0,0|1,0,1]=4 1820 B17R2.7 CCN(C)C(=O)Cc1csc2c1cccc2 240690a_100000225621_100000741031 [0,2,0,0,0,0|1,0,1]=4 1821 B17R2.7 CCN(C)C(=O)Cc1csc2c1cccc2 527a_100000225621_100000741031 [0,2,0,0,0,0|1,0,1]=4 1822 B17R2.7 CCN(C)C(=O)Cc1n[nH]c2c1cccc2 240690a_100000225621_100000044345 [0,2,0,0,0,0|1,0,1]=4 1823 B17R2.7 CCN(C)C(=O)Cc1n[nH]c2c1cccc2 527a_100000225621_100000044345 [0,2,0,0,0,0|1,0,1]=4 1824 B17R2.138 CN(C)C(C)(C)Sc1c[nH]c2c1cccn2 62a_217856628674_100011934613 [0,2,0,0,0,0|2,0,0]=4 1825 B17R2.138 CN(C)C(C)(C)Sc1c[nH]c2c1ccnc2 62a_217856628674_100010232032 [0,2,0,0,0,0|2,0,0]=4 1826 B17R2.138 CN(C)C(C)(C)Sc1c[nH]c2c1cncc2 62a_217856628674_100000753697 [0,2,0,0,0,0|2,0,0]=4 1827 B17R2.138 CN(C)C(C)(C)Sc1c[nH]c2c1nccc2 62a_217856628674_100009817151 [0,2,0,0,0,0|2,0,0]=4 1828 B17R2.138 CN(C)C(C)(C)Sc1coc2c1cccc2 62a_217856628674_100009812202 [0,2,0,0,0,0|2,0,0]=4 1829 B17R2.138 CN(C)C(C)(C)Sc1csc2c1cccc2 62a_217856628674_100009813928 [0,2,0,0,0,0|2,0,0]=4 1830 B17R2.138 CN(C)C(C)(C)Sc1n[nH]c2c1cccc2 62a_217856628674_100000050141 [0,2,0,0,0,0|2,0,0]=4 1831 B17R2.3450 CC(C)C(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_100000210206 [0,2,0,0,0,0|1,0,1]=4 1832 B17R2.3450 CC(C)C(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_100000210206 [0,2,0,0,0,0|1,0,1]=4 1833 B17R2.3450 CC(C)C(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_100000210206 [0,2,0,0,0,0|1,0,1]=4 1834 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)Br 11a_100102631434_100000689255 [0,2,0,0,0,0|0,0,1]=3 1835 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)Br 240690a_100102631434_100000689255 [0,2,0,0,0,0|0,0,1]=3 1836 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)Br 527a_100102631434_100000689255 [0,2,0,0,0,0|0,0,1]=3 1837 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)Cl 11a_100102631434_100000747776 [0,2,0,0,0,0|0,0,1]=3 1838 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)Cl 1626a_100102631434_100000747776 [0,2,0,0,0,0|0,0,1]=3 1839 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)Cl 240690a_100102631434_100000747776 [0,2,0,0,0,0|0,0,1]=3 1840 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)Cl 527a_100102631434_100000747776 [0,2,0,0,0,0|0,0,1]=3 1841 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)F 11a_100102631434_100102524959 [0,2,0,0,0,0|0,0,1]=3 1842 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)F 1626a_100102631434_100102524959 [0,2,0,0,0,0|0,0,1]=3 1843 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)F 240690a_100102631434_100102524959 [0,2,0,0,0,0|0,0,1]=3 1844 B17R2.3450 CN(C)C(=O)Cc1c[nH]c2c1ccc(c2)F 527a_100102631434_100102524959 [0,2,0,0,0,0|0,0,1]=3 1845 B17R2.3450 CN(C)C(=O)Cc1coc2c1ccc(c2)O 240690a_100102631434_100000010777 [0,2,0,0,0,0|1,0,1]=4 1846 B17R2.5003 CN(C)C(=O)CC1C(=O)Nc2c1cccc2 527a_100102631434_100000747281 [0,2,0,0,0,0|0,0,2]=4 1847 B17R2.5003 Cc1[nH]c2ccccc2c1CC(=O)C(C)C 1458a_100000737320_100000210206 [0,2,0,0,0,0|1,0,1]=4 1848 B17R2.5003 Cc1[nH]c2ccccc2c1CC(=O)N(C)C 11a_100102631434_100000737320 [0,2,0,0,0,0|0,0,1]=3 1849 B17R2.5003 Cc1[nH]c2ccccc2c1CC(=O)N(C)C 240690a_100102631434_100000737320 [0,2,0,0,0,0|0,0,1]=3 1850 B17R2.5003 Cc1[nH]c2ccccc2c1CC(=O)N(C)C 527a_100102631434_100000737320 [0,2,0,0,0,0|0,0,1]=3 1851 B17R2.25461 CC(C)C(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_100000210206 [0,2,0,0,0,0|1,0,1]=4 1852 B17R2.25461 CC(C)C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_100000210206 [0,2,0,0,0,0|1,0,1]=4 1853 B17R2.25461 CC(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100000210206 [0,2,0,0,0,0|1,0,1]=4 1854 B17R2.25461 CC(C)C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000210206 [0,2,0,0,0,0|1,0,1]=4 1855 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Br 11a_100102631434_100000742623 [0,2,0,0,0,0|0,0,1]=3 1856 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Br 240690a_100102631434_100000742623 [0,2,0,0,0,0|0,0,1]=3 1857 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Br 527a_100102631434_100000742623 [0,2,0,0,0,0|0,0,1]=3 1858 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Cl 11a_100102631434_100000758855 [0,2,0,0,0,0|0,0,1]=3 1859 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1626a_100102631434_100000758855 [0,2,0,0,0,0|0,0,1]=3 1860 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Cl 240690a_100102631434_100000758855 [0,2,0,0,0,0|0,0,1]=3 1861 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)Cl 527a_100102631434_100000758855 [0,2,0,0,0,0|0,0,1]=3 1862 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 11a_100102631434_100102525430 [0,2,0,0,0,0|0,0,1]=3 1863 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 1626a_100102631434_100102525430 [0,2,0,0,0,0|0,0,1]=3 1864 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 240690a_100102631434_100102525430 [0,2,0,0,0,0|0,0,1]=3 1865 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 527a_100102631434_100102525430 [0,2,0,0,0,0|0,0,1]=3 1866 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)O 11a_100102631434_100000031536 [0,2,0,0,0,0|0,0,1]=3 1867 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)O 240690a_100102631434_100000031536 [0,2,0,0,0,0|0,0,1]=3 1868 B17R2.25461 CN(C)C(=O)Cc1c[nH]c2c1cc(cc2)O 527a_100102631434_100000031536 [0,2,0,0,0,0|0,0,1]=3 1869 B17R2.25461 CN(C)C(=O)Cc1csc2c1cc(cc2)Cl 11a_100102631434_100000692288 [0,2,0,0,0,0|1,0,1]=4 1870 B17R2.25461 CN(C)C(=O)Cc1csc2c1cc(cc2)Cl 1626a_100102631434_100000692288 [0,2,0,0,0,0|1,0,1]=4 1871 B17R2.25461 CN(C)C(=O)Cc1csc2c1cc(cc2)Cl 240690a_100102631434_100000692288 [0,2,0,0,0,0|1,0,1]=4 1872 B17R2.25461 CN(C)C(=O)Cc1csc2c1cc(cc2)Cl 527a_100102631434_100000692288 [0,2,0,0,0,0|1,0,1]=4 1873 B17R2.25461 CN(C)C(=O)Cc1n[nH]c2c1cc(cc2)Cl 240690a_100102631434_100010209749 [0,2,0,0,0,0|1,0,1]=4 1874 B17R2.25461 CN(C)C(=O)Cc1n[nH]c2c1cc(cc2)Cl 527a_100102631434_100010209749 [0,2,0,0,0,0|1,0,1]=4 1875 B17R2.25461 CN(C)C(=O)Cc1n[nH]c2c1cc(cc2)F 240690a_100102631434_200102525442 [0,2,0,0,0,0|1,0,1]=4 1876 B17R2.25461 CN(C)C(=O)Cc1n[nH]c2c1cc(cc2)F 527a_100102631434_200102525442 [0,2,0,0,0,0|1,0,1]=4 1877 B17R2.25461 Cc1ccc2[nH]cc(c2c1)CC(=O)C(C)C 1458a_100102525273_100000210206 [0,2,0,0,0,0|1,0,1]=4 1878 B17R2.25461 Cc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 240690a_100102631434_100102525273 [0,2,0,0,0,0|0,0,1]=3 1879 B17R2.25461 Cc1ccc2[nH]cc(c2c1)CC(=O)N(C)C 527a_100102631434_100102525273 [0,2,0,0,0,0|0,0,1]=3 1880 B17R2.25461 Cc1ccc2occ(c2c1)CC(=O)N(C)C 11a_100102631434_100000188615 [0,2,0,0,0,0|1,0,1]=4 1881 B17R2.25461 Cc1ccc2occ(c2c1)CC(=O)N(C)C 1626a_100102631434_100000188615 [0,2,0,0,0,0|1,0,1]=4 1882 B17R2.25461 Cc1ccc2occ(c2c1)CC(=O)N(C)C 240690a_100102631434_100000188615 [0,2,0,0,0,0|1,0,1]=4 1883 B17R2.25461 Cc1ccc2occ(c2c1)CC(=O)N(C)C 527a_100102631434_100000188615 [0,2,0,0,0,0|1,0,1]=4 1884 B17R2.25461 Cc1ccc2scc(c2c1)CC(=O)N(C)C 11a_100102631434_100000242747 [0,2,0,0,0,0|1,0,1]=4 1885 B17R2.25461 Cc1ccc2scc(c2c1)CC(=O)N(C)C 1626a_100102631434_100000242747 [0,2,0,0,0,0|1,0,1]=4 1886 B17R2.25461 Cc1ccc2scc(c2c1)CC(=O)N(C)C 240690a_100102631434_100000242747 [0,2,0,0,0,0|1,0,1]=4 1887 B17R2.25461 Cc1ccc2scc(c2c1)CC(=O)N(C)C 527a_100102631434_100000242747 [0,2,0,0,0,0|1,0,1]=4 1888 B17R2.37147 CC(C)C(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_100000210206 [0,2,0,0,0,0|1,0,1]=4 1889 B17R2.37147 CC(C)C(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_100000210206 [0,2,0,0,0,0|1,0,1]=4 1890 B17R2.37147 CC(C)N(C)Cc1c[nH]c2c1cccc2Br 270004a_200000211004_100009814786 [0,2,0,0,0,0|2,0,0]=4 1891 B17R2.37147 CC(C)N(C)Cc1c[nH]c2c1cccc2Cl 270004a_200000211004_100011361501 [0,2,0,0,0,0|2,0,0]=4 1892 B17R2.37147 CN(C)C(=O)Cc1c[nH]c2c1cccc2Br 11a_100102631434_100010219219 [0,2,0,0,0,0|0,0,1]=3 1893 B17R2.37147 CN(C)C(=O)Cc1c[nH]c2c1cccc2Br 240690a_100102631434_100010219219 [0,2,0,0,0,0|0,0,1]=3 1894 B17R2.37147 CN(C)C(=O)Cc1c[nH]c2c1cccc2Br 527a_100102631434_100010219219 [0,2,0,0,0,0|0,0,1]=3 1895 B17R2.37147 CN(C)C(=O)Cc1c[nH]c2c1cccc2Cl 11a_100102631434_100012356222 [0,2,0,0,0,0|0,0,1]=3 1896 B17R2.37147 CN(C)C(=O)Cc1c[nH]c2c1cccc2Cl 240690a_100102631434_100012356222 [0,2,0,0,0,0|0,0,1]=3 1897 B17R2.37147 CN(C)C(=O)Cc1c[nH]c2c1cccc2Cl 527a_100102631434_100012356222 [0,2,0,0,0,0|0,0,1]=3 1898 B17R2.37147 Cc1cccc2c1[nH]cc2CC(=O)C(C)C 1458a_200000049093_100000210206 [0,2,0,0,0,0|1,0,1]=4 1899 B17R2.37147 Cc1cccc2c1[nH]cc2CC(=O)N(C)C 11a_100102631434_200000049093 [0,2,0,0,0,0|0,0,1]=3 1900 B17R2.37147 Cc1cccc2c1[nH]cc2CC(=O)N(C)C 240690a_100102631434_200000049093 [0,2,0,0,0,0|0,0,1]=3 1901 B17R2.37147 Cc1cccc2c1[nH]cc2CC(=O)N(C)C 527a_100102631434_200000049093 [0,2,0,0,0,0|0,0,1]=3 1902 B17R2.37147 Cc1cccc2c1[nH]cc2CN(C)C(C)C 270004a_200000211004_100000040139 [0,2,0,0,0,0|2,0,0]=4 1903 B17R2.37552 CC(C)C(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_100000210206 [0,2,0,0,0,0|1,0,1]=4 1904 B17R2.37552 CC(C)C(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_100000210206 [0,2,0,0,0,0|1,0,1]=4 1905 B17R2.37552 CC(C)C(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_100000210206 [0,2,0,0,0,0|1,0,1]=4 1906 B17R2.37552 CN(C)C(=O)Cc1c[nH]c2c1c(ccc2)Br 11a_100102631434_100000692793 [0,2,0,0,0,0|0,0,1]=3 1907 B17R2.37552 CN(C)C(=O)Cc1c[nH]c2c1c(ccc2)Br 240690a_100102631434_100000692793 [0,2,0,0,0,0|0,0,1]=3 1908 B17R2.37552 CN(C)C(=O)Cc1c[nH]c2c1c(ccc2)Br 527a_100102631434_100000692793 [0,2,0,0,0,0|0,0,1]=3 1909 B17R2.37552 CN(C)C(=O)Cc1c[nH]c2c1c(ccc2)Cl 11a_100102631434_100012339537 [0,2,0,0,0,0|0,0,1]=3 1910 B17R2.37552 CN(C)C(=O)Cc1c[nH]c2c1c(ccc2)Cl 240690a_100102631434_100012339537 [0,2,0,0,0,0|0,0,1]=3 1911 B17R2.37552 CN(C)C(=O)Cc1c[nH]c2c1c(ccc2)Cl 527a_100102631434_100012339537 [0,2,0,0,0,0|0,0,1]=3 1912 B17R2.37552 CN(C)C(=O)Cc1c[nH]c2c1c(ccc2)F 11a_100102631434_100011997205 [0,2,0,0,0,0|0,0,1]=3 1913 B17R2.37552 CN(C)C(=O)Cc1c[nH]c2c1c(ccc2)F 240690a_100102631434_100011997205 [0,2,0,0,0,0|0,0,1]=3 1914 B17R2.37552 CN(C)C(=O)Cc1c[nH]c2c1c(ccc2)F 527a_100102631434_100011997205 [0,2,0,0,0,0|0,0,1]=3 1915 B17R2.37552 Cc1cccc2c1c(c[nH]2)CC(=O)C(C)C 1458a_100102558282_100000210206 [0,2,0,0,0,0|1,0,1]=4 1916 B17R2.37552 Cc1cccc2c1c(c[nH]2)CC(=O)N(C)C 11a_100102631434_100102558282 [0,2,0,0,0,0|0,0,1]=3 1917 B17R2.37552 Cc1cccc2c1c(c[nH]2)CC(=O)N(C)C 527a_100102631434_100102558282 [0,2,0,0,0,0|0,0,1]=3 1918 B17R2.78536 CC(C)C(=O)Cc1cn(c2c1cccc2)C 1458a_100011218532_100000210206 [0,2,0,0,0,0|1,0,1]=4 1919 B17R2.78536 CN(C)C(=O)Cc1cn(c2c1cccc2)C 11a_100102631434_100011218532 [0,2,0,0,0,0|0,0,1]=3 1920 B17R2.78536 CN(C)C(=O)Cc1cn(c2c1cccc2)C 1626a_100102631434_100011218532 [0,2,0,0,0,0|0,0,1]=3 1921 B17R2.78536 CN(C)C(=O)Cc1cn(c2c1cccc2)C 240690a_100102631434_100011218532 [0,2,0,0,0,0|0,0,1]=3 1922 B17R2.78536 CN(C)C(=O)Cc1cn(c2c1cccc2)C 527a_100102631434_100011218532 [0,2,0,0,0,0|0,0,1]=3 1923 B17R2.6 C#CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000184674 [0,2,0,0,0,0|2,0,0]=4 1924 B17R2.6 C#CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100011220946_100011218569 [0,2,0,0,0,0|2,0,0]=4 1925 B17R2.6 C#CCN(C)CCc1c[nH]c2c1cccc2 2230a_100000225692_100011218569 [0,2,0,0,0,0|0,0,0]=2 1926 B17R2.6 C#CCN(C)CCc1c[nH]c2c1cccc2 34a_100000225692_100011218569 [0,2,0,0,0,0|0,0,0]=2 1927 B17R2.6 C#CCN(C)CCc1c[nH]c2c1cccn2 2230a_100000225692_100009895007 [0,2,0,0,0,0|1,0,0]=3 1928 B17R2.6 C#CCN(C)CCn1ccc2c1cccc2 2230a_100015183269_100000038162 [0,2,0,0,0,0|2,0,0]=4 1929 B17R2.6 C=CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210193_100011218569 [0,2,0,0,0,0|2,0,0]=4 1930 B17R2.6 C=CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210623 [0,2,0,0,0,0|2,0,0]=4 1931 B17R2.6 C=CCN(C)CCc1c[nH]c2c1cccc2 2230a_100000225617_100011218569 [0,2,0,0,0,0|0,0,0]=2 1932 B17R2.6 C=CCN(C)CCc1c[nH]c2c1cccc2 269982a_100000225617_100011218569 [0,2,0,0,0,0|0,0,0]=2 1933 B17R2.6 C=CCN(C)CCc1c[nH]c2c1cccn2 2230a_100000225617_100009895007 [0,2,0,0,0,0|1,0,0]=3 1934 B17R2.6 C=CCN(C)CCc1c[nH]c2c1cccn2 269982a_100000225617_100009895007 [0,2,0,0,0,0|1,0,0]=3 1935 B17R2.6 C=CCN(C)CCn1ccc2c1cccc2 2230a_100015183269_100000210623 [0,2,0,0,0,0|2,0,0]=4 1936 B17R2.6 C=CCN(C)CCn1ccc2c1cccc2 269982a_100015183269_100000210623 [0,2,0,0,0,0|2,0,0]=4 1937 B17R2.6 CC#CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000763181_100011218569 [0,2,0,0,0,0|2,0,0]=4 1938 B17R2.6 CC=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210699_100011218569 [0,2,0,0,0,0|2,0,0]=4 1939 B17R2.6 CCCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210303 [0,2,0,0,0,0|2,0,0]=4 1940 B17R2.6 CCCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211992_100011218569 [0,2,0,0,0,0|2,0,0]=4 1941 B17R2.6 CCCC(C)NCc1c[nH]c2c1cccc2 270004a_100015202335_100000211909 [0,2,0,0,0,0|2,0,0]=4 1942 B17R2.6 CCCN(C)CCc1c[nH]c2c1cccc2 2230a_100000747261_100011218569 [0,2,0,0,0,0|0,0,0]=2 1943 B17R2.6 CCCN(C)CCc1c[nH]c2c1cccc2 269982a_100000747261_100011218569 [0,2,0,0,0,0|0,0,0]=2 1944 B17R2.6 CCCN(C)CCc1c[nH]c2c1cccn2 2230a_100000747261_100009895007 [0,2,0,0,0,0|1,0,0]=3 1945 B17R2.6 CCCN(C)CCc1c[nH]c2c1cccn2 269982a_100000747261_100009895007 [0,2,0,0,0,0|1,0,0]=3 1946 B17R2.6 CCCN(C)CCn1ccc2c1cccc2 2230a_100015183269_100000210303 [0,2,0,0,0,0|2,0,0]=4 1947 B17R2.6 CCCN(C)CCn1ccc2c1cccc2 269982a_100015183269_100000210303 [0,2,0,0,0,0|2,0,0]=4 1948 B17R2.6 CCNC(=O)CCc1c[nH]c2c1cccc2 11a_100015525214_100000211458 [0,2,0,0,0,0|2,0,0]=4 1949 B17R2.6 CCNC(=O)CCc1c[nH]c2c1cccc2 240690a_100015525214_100000211458 [0,2,0,0,0,0|2,0,0]=4 1950 B17R2.6 CCNC(=O)CCc1c[nH]c2c1cccc2 527a_100015525214_100000211458 [0,2,0,0,0,0|2,0,0]=4 1951 B17R2.6 CCNC(C)CCc1c[nH]c2c1cccc2 270004a_100015525214_100102524982 [0,2,0,0,0,0|1,0,0]=3 1952 B17R2.6 CN(CC#N)CCc1c[nH]c2c1cccc2 2230a_100000748184_100011218569 [0,2,0,0,0,0|0,0,0]=2 1953 B17R2.6 CN(CC#N)CCc1c[nH]c2c1cccn2 2230a_100000748184_100009895007 [0,2,0,0,0,0|1,0,0]=3 1954 B17R2.6 CN(CC#N)CCn1ccc2c1cccc2 2230a_100015183269_100011215382 [0,2,0,0,0,0|2,0,0]=4 1955 B17R2.6 CN(CC#N)CCn1ccc2c1cccc2 269982a_100015183269_100011214920 [0,2,0,0,0,0|2,0,0]=4 1956 B17R2.6 CN(CC=O)CCn1ccc2c1cccc2 2230a_100015183269_200015260668 [0,2,0,0,0,0|2,0,0]=4 1957 B17R2.6 CN(CC=O)CCn1ccc2c1cccc2 269982a_100015183269_200015260668 [0,2,0,0,0,0|2,0,0]=4 1958 B17R2.6 CN(CCF)CCn1ccc2c1cccc2 2230a_100015183269_100011217306 [0,2,0,0,0,0|2,0,0]=4 1959 B17R2.6 CN(CCF)CCn1ccc2c1cccc2 269982a_100015183269_100011217306 [0,2,0,0,0,0|2,0,0]=4 1960 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccc2 2230a_100000210263_100011218569 [0,2,0,0,0,0|0,0,0]=2 1961 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccc2 2230a_200009996482_200000210301 [0,2,0,0,0,0|0,0,0]=2 1962 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccc2 269982a_100000210263_100011218569 [0,2,0,0,0,0|0,0,0]=2 1963 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccc2 269982a_200009996482_200000210301 [0,2,0,0,0,0|0,0,0]=2 1964 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccn2 2230a_100000210263_100009895007 [0,2,0,0,0,0|1,0,0]=3 1965 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccn2 269982a_100000210263_100009895007 [0,2,0,0,0,0|1,0,0]=3 1966 B17R2.6 CN(CCO)CCn1ccc2c1cccc2 2230a_100015183269_100000211926 [0,2,0,0,0,0|2,0,0]=4 1967 B17R2.6 CN(CCO)CCn1ccc2c1cccc2 269982a_100015183269_100000211926 [0,2,0,0,0,0|2,0,0]=4 1968 B17R2.6 CNNC(=O)CCc1c[nH]c2c1cccc2 22a_100016993582_100000211458 [0,2,0,0,0,0|2,0,0]=4 1969 B17R2.6 COCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210968_100011218569 [0,2,0,0,0,0|2,0,0]=4 1970 B17R2.6 COCC(C)NCc1c[nH]c2c1cccc2 270004a_100015202335_100000749346 [0,2,0,0,0,0|2,0,0]=4 1971 B17R2.6 COCN(C)CCn1ccc2c1cccc2 2230a_100015183269_100000766300 [0,2,0,0,0,0|2,0,0]=4 1972 B17R2.6 COCN(C)CCn1ccc2c1cccc2 269982a_100015183269_100000766300 [0,2,0,0,0,0|2,0,0]=4 1973 B17R2.6 CSCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000184570_100011218569 [0,2,0,0,0,0|2,0,0]=4 1974 B17R2.6 CSCC(C)NCc1c[nH]c2c1cccc2 270004a_100015202335_100011216314 [0,2,0,0,0,0|2,0,0]=4 1975 B17R2.6 CSCN(C)CCn1ccc2c1cccc2 2230a_100015183269_100011218213 [0,2,0,0,0,0|2,0,0]=4 1976 B17R2.6 CSCN(C)CCn1ccc2c1cccc2 269982a_100015183269_100011218213 [0,2,0,0,0,0|2,0,0]=4 1977 B17R2.6 N#CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100011214920 [0,2,0,0,0,0|2,0,0]=4 1978 B17R2.6 N#CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100051588842_100011218569 [0,2,0,0,0,0|2,0,0]=4 1979 B17R2.6 O=C(CCF)CCc1c[nH]c2c1cccc2 1458a_100000211458_100011217306 [0,2,0,0,0,0|2,0,0]=4 1980 B17R2.6 O=C(CCO)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000211926 [0,2,0,0,0,0|2,0,0]=4 1981 B17R2.6 O=C(CCO)CCc1c[nH]c2c1cccc2 1458a_100011216618_100011218569 [0,2,0,0,0,0|2,0,0]=4 1982 B17R2.6 [13CH3]N(CCO)CCc1c[nH]c2c1cccc2 2230a_200009996482_200025704644 [0,2,0,0,0,0|0,0,0]=2 1983 B17R2.6 [13CH3]N(CCO)CCc1c[nH]c2c1cccc2 269982a_200009996482_200025704644 [0,2,0,0,0,0|0,0,0]=2 1984 B17R2.41 CCC(CC)NCc1c[nH]c2c1cccc2 270004a_100015202335_100000210860 [0,2,0,0,0,0|2,0,0]=4 1985 B17R2.41 CCN(CC)CCc1c[nH]c2c1cccc2 2230a_100000724800_100011218569 [0,2,0,0,0,0|0,0,0]=2 1986 B17R2.41 CCN(CC)CCc1c[nH]c2c1cccc2 269956a_100000042499_100011218569 [0,2,0,0,0,0|0,0,0]=2 1987 B17R2.41 CCN(CC)CCc1c[nH]c2c1cccc2 269982a_100000724800_100011218569 [0,2,0,0,0,0|0,0,0]=2 1988 B17R2.41 CCN(CC)CCc1c[nH]c2c1cccn2 2230a_100000724800_100009895007 [0,2,0,0,0,0|1,0,0]=3 1989 B17R2.41 CCN(CC)CCc1c[nH]c2c1cccn2 269956a_100000042499_100009895007 [0,2,0,0,0,0|1,0,0]=3 1990 B17R2.41 CCN(CC)CCc1c[nH]c2c1cccn2 269982a_100000724800_100009895007 [0,2,0,0,0,0|1,0,0]=3 1991 B17R2.693 CCN(C)CC(=O)c1c[nH]c2c1cccc2 2230a_100000225621_100000183220 [0,2,0,0,0,0|0,0,1]=3 1992 B17R2.693 CCN(C)CC(=O)c1c[nH]c2c1cccc2 269982a_100000225621_100000183220 [0,2,0,0,0,0|0,0,1]=3 1993 B17R2.693 CCN(C)CC(=O)c1coc2c1cccc2 269982a_100000225621_100000233777 [0,2,0,0,0,0|1,0,1]=4 1994 B17R2.693 CCN(C)CC(=O)c1csc2c1cccc2 2230a_100000225621_100000689783 [0,2,0,0,0,0|1,0,1]=4 1995 B17R2.693 CCN(C)CC(=O)c1csc2c1cccc2 269982a_100000225621_100000689783 [0,2,0,0,0,0|1,0,1]=4 1996 B17R2.2442 CCC(C)NCc1c[nH]c2c1cccc2Br 270004a_100000209981_100009814786 [0,2,0,0,0,0|2,0,0]=4 1997 B17R2.2442 CCC(C)NCc1c[nH]c2c1cccc2C 270004a_100000209981_100000040139 [0,2,0,0,0,0|2,0,0]=4 1998 B17R2.2442 CCC(C)NCc1c[nH]c2c1cccc2Cl 270004a_100000209981_100011361501 [0,2,0,0,0,0|2,0,0]=4 1999 B17R2.2442 C[C@H](CF)NCc1c[nH]c2c1cccc2Br 270004a_100102880703_100009814786 [0,2,0,0,0,0|2,0,0]=4 2000 B17R2.2442 C[C@H](CF)NCc1c[nH]c2c1cccc2Cl 270004a_100102880703_100011361501 [0,2,0,0,0,0|2,0,0]=4 2001 B17R2.2442 C[C@H](CO)NCc1c[nH]c2c1cccc2Br 270004a_100000737577_100009814786 [0,2,0,0,0,0|2,0,0]=4 2002 B17R2.2442 C[C@H](CO)NCc1c[nH]c2c1cccc2Cl 270004a_100000737577_100011361501 [0,2,0,0,0,0|2,0,0]=4 2003 B17R2.2442 Cc1cccc2c1[nH]cc2CN[C@H](C)CF 270004a_100102880703_100000040139 [0,2,0,0,0,0|2,0,0]=4 2004 B17R2.2442 Cc1cccc2c1[nH]cc2CN[C@H](C)CO 270004a_100000737577_100000040139 [0,2,0,0,0,0|2,0,0]=4 2005 B17R2.61029 CCN(C)CCn1c(=O)[nH]c2c1cccc2 2230a_100000225621_203549783246 [0,2,0,0,0,0|1,0,0]=3 2006 B17R2.61029 CCN(C)CCn1c(=O)[nH]c2c1cccc2 269982a_100000225621_203549783246 [0,2,0,0,0,0|1,0,0]=3 2007 B17R2.87547 CC(CO)NCc1cn(c2c1cccc2)C 34a_100011997738_100012180447 [0,2,0,0,0,0|2,0,0]=4 2008 B17R2.87547 CCC(=O)CCc1cn(c2c1cccc2)C 1458a_100000686839_100000210202 [0,2,0,0,0,0|2,0,0]=4 2009 B17R2.87547 CCC(C)NCc1cn(c2c1cccc2)C 34a_100011997738_100011215416 [0,2,0,0,0,0|2,0,0]=4 2010 B17R2.87547 CNC(=O)CCc1cn(c2c1cccc2)C 11a_106832991635_100000686839 [0,2,0,0,0,0|2,0,0]=4 2011 B17R2.87547 CNC(=O)CCc1cn(c2c1cccc2)C 1626a_100102657272_100000686839 [0,2,0,0,0,0|2,0,0]=4 2012 B17R2.87547 CNC(=O)CCc1cn(c2c1cccc2)C 240690a_100102657272_100000686839 [0,2,0,0,0,0|2,0,0]=4 2013 B17R2.87547 CNC(=O)CCc1cn(c2c1cccc2)C 527a_100102657272_100000686839 [0,2,0,0,0,0|2,0,0]=4 2014 B17R2.87547 Cn1cc(c2c1cccc2)CCC(=O)CF 1458a_100000686839_100015361967 [0,2,0,0,0,0|2,0,0]=4 2015 B17R2.376007 CCC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100000210202 [0,2,0,0,0,0|2,0,0]=4 2016 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 11a_106832991635_100009828173 [0,2,0,0,0,0|2,0,0]=4 2017 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 240690a_100102657272_100009828173 [0,2,0,0,0,0|2,0,0]=4 2018 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 527a_100102657272_100009828173 [0,2,0,0,0,0|2,0,0]=4 2019 B17R2.376007 COC(=O)CCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100010888593 [0,2,0,0,0,0|2,0,0]=4 2020 B17R2.376007 O=C(CF)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100015361967 [0,2,0,0,0,0|2,0,0]=4 2021 B17R2.3449 CC(C)C[C@H](N)c1n[nH]c2c1ccc(c2)Br 271570a_100015190218_100010186045 [0,2,0,0,0,0|2,0,0]=4 2022 B17R2.3449 CC(C)C[C@H](N)c1n[nH]c2c1ccc(c2)Cl 271570a_100015190218_100000049627 [0,2,0,0,0,0|2,0,0]=4 2023 B17R2.3449 CC(C)C[C@H](N)c1n[nH]c2c1ccc(c2)F 271570a_100015190218_100000049990 [0,2,0,0,0,0|2,0,0]=4 2024 B17R2.3449 CC(C)C[C@H](N)c1n[nH]c2c1ccc(c2)N 271570a_100015190218_100009816878 [0,2,0,0,0,0|2,0,0]=4 2025 B17R2.3449 Cc1ccc2c(n[nH]c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100000049534 [0,2,0,0,0,0|2,0,0]=4 2026 B17R2.5002 Cc1[nH]c2ccccc2c1C(=O)CN(C)C 2230a_100102631434_100000182688 [0,2,0,0,0,0|0,0,1]=3 2027 B17R2.5002 Cc1[nH]c2ccccc2c1C(=O)CN(C)C 269982a_100102631434_100000182688 [0,2,0,0,0,0|0,0,1]=3 2028 B17R2.5002 Cc1oc2ccccc2c1[C@@H](N)CC(C)C 271570a_100015190218_200010236113 [0,2,0,0,0,0|2,0,0]=4 2029 B17R2.5002 Cc1sc2ccccc2c1[C@@H](N)CC(C)C 271570a_100015190218_100010002616 [0,2,0,0,0,0|2,0,0]=4 2030 B17R2.25460 CC(C)C[C@H](N)c1c[nH]c2c1cc(cn2)F 271570a_100015190218_100010168383 [0,2,0,0,0,0|2,0,0]=4 2031 B17R2.25460 CC(C)C[C@H](N)c1csc2c1cc(cc2)N 271570a_100015190218_100011178648 [0,2,0,0,0,0|2,0,0]=4 2032 B17R2.25460 CC(C)C[C@H](N)c1n[nH]c2c1cc(cc2)Br 271570a_100015190218_100010186058 [0,2,0,0,0,0|2,0,0]=4 2033 B17R2.25460 CC(C)C[C@H](N)c1n[nH]c2c1cc(cc2)Cl 271570a_100015190218_100010174404 [0,2,0,0,0,0|2,0,0]=4 2034 B17R2.25460 CC(C)C[C@H](N)c1n[nH]c2c1cc(cc2)F 271570a_100015190218_100011934747 [0,2,0,0,0,0|2,0,0]=4 2035 B17R2.25460 CC(C)C[C@H](N)c1n[nH]c2c1cc(cc2)N 271570a_100015190218_100012353729 [0,2,0,0,0,0|2,0,0]=4 2036 B17R2.25460 CN(C)CC(=O)c1c[nH]c2c1cc(cc2)Br 269982a_100102631434_100011264338 [0,2,0,0,0,0|0,0,1]=3 2037 B17R2.25460 CN(C)CC(=O)c1c[nH]c2c1cc(cc2)Cl 269982a_100102631434_200011936983 [0,2,0,0,0,0|0,0,1]=3 2038 B17R2.25460 Cc1ccc2[nH]nc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100000123028 [0,2,0,0,0,0|2,0,0]=4 2039 B17R2.25460 Cc1cnc2[nH]cc(c2c1)[C@@H](N)CC(C)C 271570a_100015190218_100010246215 [0,2,0,0,0,0|2,0,0]=4 2040 B17R2.37146 CC(C)C[C@H](N)c1n[nH]c2c1cccc2Br 271570a_100015190218_100010197283 [0,2,0,0,0,0|2,0,0]=4 2041 B17R2.37146 CC(C)C[C@H](N)c1n[nH]c2c1cccc2Cl 271570a_100015190218_100000050086 [0,2,0,0,0,0|2,0,0]=4 2042 B17R2.37146 CC(C)C[C@H](N)c1n[nH]c2c1cccc2F 271570a_100015190218_100010231504 [0,2,0,0,0,0|2,0,0]=4 2043 B17R2.37146 CC(C)C[C@H](N)c1n[nH]c2c1cccc2N 271570a_100015190218_100009888981 [0,2,0,0,0,0|2,0,0]=4 2044 B17R2.37146 CC(C)C[C@H](N)c1n[nH]c2c1cccc2O 271570a_100015190218_200010988877 [0,2,0,0,0,0|2,0,0]=4 2045 B17R2.37146 Cc1cccc2c1[nH]nc2[C@@H](N)CC(C)C 271570a_100015190218_100010186057 [0,2,0,0,0,0|2,0,0]=4 2046 B17R2.37551 CC(C)C[C@H](N)c1c[nH]c2c1c(ccn2)Br 271570a_100015190218_100010212587 [0,2,0,0,0,0|2,0,0]=4 2047 B17R2.37551 CC(C)C[C@H](N)c1c[nH]c2c1c(ccn2)F 271570a_100015190218_100010168365 [0,2,0,0,0,0|2,0,0]=4 2048 B17R2.37551 CC(C)C[C@H](N)c1c[nH]c2c1c(ncc2)O 271570a_100015190218_100010168626 [0,2,0,0,0,0|2,0,0]=4 2049 B17R2.37551 CC(C)C[C@H](N)c1n[nH]c2c1c(ccc2)Br 271570a_100015190218_100010186043 [0,2,0,0,0,0|2,0,0]=4 2050 B17R2.37551 CC(C)C[C@H](N)c1n[nH]c2c1c(ccc2)Cl 271570a_100015190218_100000049730 [0,2,0,0,0,0|2,0,0]=4 2051 B17R2.37551 CC(C)C[C@H](N)c1n[nH]c2c1c(ccc2)F 271570a_100015190218_100000049989 [0,2,0,0,0,0|2,0,0]=4 2052 B17R2.37551 CC(C)C[C@H](N)c1n[nH]c2c1c(ccc2)N 271570a_100015190218_100010186038 [0,2,0,0,0,0|2,0,0]=4 2053 B17R2.37551 Cc1cccc2c1c(n[nH]2)[C@@H](N)CC(C)C 271570a_100015190218_100000049903 [0,2,0,0,0,0|2,0,0]=4 2054 B17R2.78535 CC(C)C[C@H](N)c1cn(c2c1cccn2)C 271570a_100015190218_100010205794 [0,2,0,0,0,0|2,0,0]=4 2055 B17R2.78535 CC(C)C[C@H](N)c1nn(c2c1cccc2)C 271570a_100015190218_100009817141 [0,2,0,0,0,0|2,0,0]=4 2056 B17R2.814993 Cn1cc(c2c1cccc2)CNC(C)(C)C 34a_100011997738_100000210625 [0,2,0,0,0,0|2,0,0]=4 2057 B17R2.2764 CC(C)CSc1c[nH]c2c1ccc(c2)C#N 62a_100000210624_200014310816 [0,2,0,0,0,0|2,0,0]=4 2058 B17R2.2764 CC(C)CSc1c[nH]c2c1ccc(c2)C=O 62a_100000210624_200010296436 [0,2,0,0,0,0|2,0,0]=4 2059 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)C 1458a_100010000191_200000210301 [0,2,0,0,0,0|2,0,0]=4 2060 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)[13CH3] 1458a_100010000191_200025704644 [0,2,0,0,0,0|2,0,0]=4 2061 B17R2.63388 CC(C)CSc1c[nH]c2c1c(ccc2)C#N 62a_100000210624_100012350721 [0,2,0,0,0,0|2,0,0]=4 2062 B15R2.629 CN(C)Cc1cc2ccccc2n1C 2230a_100011997959_200000210301 [0,0,1,1,0,0|0,0,2]=4 2063 B15R2.629 CN(C)Cc1cc2ccccc2n1C 269982a_100011997959_200000210301 [0,0,1,1,0,0|0,0,2]=4 2064 B15R2.629 CN(C)Cc1cc2ccccc2n1C 270004a_100102631434_100000033373 [0,0,1,1,0,0|0,0,2]=4 2065 B15R2.629 CN([13CH3])Cc1cc2ccccc2n1C 2230a_100011997959_200025704644 [0,0,1,1,0,0|0,0,2]=4 2066 B15R2.629 CN([13CH3])Cc1cc2ccccc2n1C 269982a_100011997959_200025704644 [0,0,1,1,0,0|0,0,2]=4 2067 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_200000210301 [0,0,1,1,0,0|1,0,1]=4 2068 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100102631434_100011216711 [0,0,1,1,0,0|1,0,1]=4 2069 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_200000210301 [0,0,1,1,0,0|1,0,1]=4 2070 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100102631434_100011216711 [0,0,1,1,0,0|1,0,1]=4 2071 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 270004a_100102631434_100000211584 [0,0,1,1,0,0|1,0,1]=4 2072 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 2230a_100011875994_200000210301 [0,0,1,1,0,0|0,0,2]=4 2073 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 269982a_100011875994_200000210301 [0,0,1,1,0,0|0,0,2]=4 2074 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 270004a_100102631434_100000750898 [0,0,1,1,0,0|0,0,2]=4 2075 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 2230a_100000185194_200025704644 [0,0,1,1,0,0|1,0,1]=4 2076 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 269982a_100000185194_200025704644 [0,0,1,1,0,0|1,0,1]=4 2077 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2c1 2230a_100011875994_200025704644 [0,0,1,1,0,0|0,0,2]=4 2078 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2c1 269982a_100011875994_200025704644 [0,0,1,1,0,0|0,0,2]=4 2079 B15R2.308 CC1CC=C(CC1)c2ccccc2Br 271570a_100010240233_100000695589 [0,0,1,1,0,0|2,0,0]=4 2080 B15R2.308 CC1CC=C(CC1)c2ccccc2Cl 271570a_100010240233_100000764095 [0,0,1,1,0,0|2,0,0]=4 2081 B15R2.308 CC1CC=C(CC1)c2ccccc2F 271570a_100010240233_100011215700 [0,0,1,1,0,0|2,0,0]=4 2082 B15R2.308 CC1CC=C(CC1)c2ccccc2N 271570a_100010240233_100000210017 [0,0,1,1,0,0|1,0,0]=3 2083 B15R2.308 CC1CC=C(CC1)c2ccccc2O 271570a_100010240233_100000739446 [0,0,1,1,0,0|2,0,0]=4 2084 B15R2.308 CC1CC=C(CC1)c2cccnc2N 271570a_100010240233_100000045569 [0,0,1,1,0,0|2,0,0]=4 2085 B15R2.308 CC1CC=C(CC1)c2ccncc2N 271570a_100010240233_100009815883 [0,0,1,1,0,0|2,0,0]=4 2086 B15R2.308 CC1CC=C(CC1)c2cnccc2N 271570a_100010240233_100000047001 [0,0,1,1,0,0|2,0,0]=4 2087 B15R2.308 CC1CC=C(CC1)c2ncccc2N 271570a_100010240233_100000688686 [0,0,1,1,0,0|2,0,0]=4 2088 B15R2.308 Cc1ccccc1C2=CCC(CC2)C 271570a_100010240233_100000210755 [0,0,1,1,0,0|2,0,0]=4 2089 B15R2.308 Nc1ccccc1C2=CCC(CC2)O 271570a_100010254553_100000210017 [0,0,1,1,0,0|2,0,0]=4 2090 B15R2.283 CC1CCC(=NNc2ccccc2)C1 4a_100015195140_100011215218 [0,0,1,1,0,0|2,0,0]=4 2091 B15R2.283 CN1CCC(C1)CNc2ccccc2 34a_100000106764_200000690779 [0,0,1,1,0,0|0,0,2]=4 2092 B15R2.68122 CN(C)Cc1cccc2c1cccc2 2230a_100000741213_200000210301 [0,0,1,1,0,0|1,0,1]=4 2093 B15R2.68122 CN(C)Cc1cccc2c1cccc2 2230a_100102631434_100011261445 [0,0,1,1,0,0|1,0,1]=4 2094 B15R2.68122 CN(C)Cc1cccc2c1cccc2 269982a_100000741213_200000210301 [0,0,1,1,0,0|1,0,1]=4 2095 B15R2.68122 CN(C)Cc1cccc2c1cccc2 269982a_100102631434_100000188474 [0,0,1,1,0,0|1,0,1]=4 2096 B15R2.68122 CN(C)Cc1cccc2c1cccc2 270004a_100102631434_100000210074 [0,0,1,1,0,0|1,0,1]=4 2097 B15R2.68122 CN(C)Cc1ccnc2c1cccc2 2230a_100011649695_200000210301 [0,0,1,1,0,0|0,0,2]=4 2098 B15R2.68122 CN(C)Cc1ccnc2c1cccc2 2230a_100102631434_100015192512 [0,0,1,1,0,0|0,0,2]=4 2099 B15R2.68122 CN(C)Cc1ccnc2c1cccc2 269982a_100011649695_200000210301 [0,0,1,1,0,0|0,0,2]=4 2100 B15R2.68122 CN(C)Cc1ccnc2c1cccc2 269982a_100102631434_100015192512 [0,0,1,1,0,0|0,0,2]=4 2101 B15R2.68122 CN([13CH3])Cc1cccc2c1cccc2 2230a_100000741213_200025704644 [0,0,1,1,0,0|1,0,1]=4 2102 B15R2.68122 CN([13CH3])Cc1cccc2c1cccc2 269982a_100000741213_200025704644 [0,0,1,1,0,0|1,0,1]=4 2103 B15R2.68122 CN([13CH3])Cc1ccnc2c1cccc2 2230a_100011649695_200025704644 [0,0,1,1,0,0|0,0,2]=4 2104 B15R2.68122 CN([13CH3])Cc1ccnc2c1cccc2 269982a_100011649695_200025704644 [0,0,1,1,0,0|0,0,2]=4 2105 B15R2.389 CN1CCN(C(=O)C1)c2ccccc2 2230a_100000707252_200000210301 [0,0,1,1,0,0|2,0,0]=4 2106 B15R2.389 CN1CCN(C(=O)C1)c2ccccc2 269982a_100000707252_200000210301 [0,0,1,1,0,0|2,0,0]=4 2107 B15R2.389 [13CH3]N1CCN(C(=O)C1)c2ccccc2 2230a_100000707252_200025704644 [0,0,1,1,0,0|2,0,0]=4 2108 B15R2.389 [13CH3]N1CCN(C(=O)C1)c2ccccc2 269982a_100000707252_200025704644 [0,0,1,1,0,0|2,0,0]=4 2109 B15R2.467 CC1(CC=C(CC1)c2ccccc2)C 271570a_100000069032_100000210277 [0,0,1,1,0,0|2,0,0]=4 2110 B15R2.19753 CC(C)CSc1cccc2c1[nH]cc2 62a_100000210624_100009813418 [0,0,1,1,0,0|2,0,0]=4 2111 B15R2.19753 CC(C)NCc1cccc2c1[nH]cc2 207a_100138425928_100000750900 [0,0,1,1,0,0|2,0,0]=4 2112 B17R3.1964 c1cc2[nH]cc(c2cn1)SCCC3CC3 62a_100000764125_100000753697 [0,0,0,1,0,1|2,0,0]=4 2113 B17R3.1964 c1cc2c(c[nH]c2cn1)CNCC3CC3 270004a_100000735609_100000087688 [0,0,0,1,0,1|2,0,0]=4 2114 B17R3.1964 c1cc2c(c[nH]c2cn1)SCCC3CC3 62a_100000764125_100010232032 [0,0,0,1,0,1|2,0,0]=4 2115 B17R3.1964 c1ccc2c(c[nH]c2c1)CCNC3CC3 34a_100000212008_100011218569 [0,0,0,1,0,1|1,0,0]=3 2116 B17R3.1964 c1ccc2c(c[nH]c2c1)CCOC3CC3 34a_100000752351_100000211595 [0,0,0,1,0,1|1,0,0]=3 2117 B17R3.1964 c1ccc2c(coc2c1)CCNC3CC3 34a_100011934666_100000211595 [0,0,0,1,0,1|2,0,0]=4 2118 B17R3.1964 c1ccc2c(coc2c1)CNCC3CC3 207a_100000735609_100000688544 [0,0,0,1,0,1|2,0,0]=4 2119 B17R3.1964 c1ccc2c(coc2c1)CNCC3CC3 270004a_100000735609_100000688544 [0,0,0,1,0,1|2,0,0]=4 2120 B17R3.1964 c1ccc2c(coc2c1)SCCC3CC3 62a_100000764125_100009812202 [0,0,0,1,0,1|2,0,0]=4 2121 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 207a_100000735609_100000239721 [0,0,0,1,0,1|2,0,0]=4 2122 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 2230a_100000735609_200000742921 [0,0,0,1,0,1|2,0,0]=4 2123 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 269862a_100000744611_100000741477 [0,0,0,1,0,1|2,0,0]=4 2124 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 270004a_100000735609_100000239721 [0,0,0,1,0,1|2,0,0]=4 2125 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 34a_100000735609_200000742921 [0,0,0,1,0,1|2,0,0]=4 2126 B17R3.1964 c1ccc2c(csc2c1)CNCC3CC3 34a_100000744611_100000742324 [0,0,0,1,0,1|2,0,0]=4 2127 B17R3.1964 c1ccc2c(csc2c1)COCC3CC3 34a_100000211283_200000742921 [0,0,0,1,0,1|2,0,0]=4 2128 B17R3.1964 c1ccc2c(csc2c1)COCC3CC3 34a_100011219454_100000742324 [0,0,0,1,0,1|2,0,0]=4 2129 B17R3.1964 c1ccc2c(csc2c1)CSCC3CC3 62a_100000756562_200000742921 [0,0,0,1,0,1|2,0,0]=4 2130 B17R3.1964 c1ccc2c(csc2c1)CSCC3CC3 62a_200000742921_100000742324 [0,0,0,1,0,1|2,0,0]=4 2131 B17R3.1964 c1ccc2c(csc2c1)OCCC3CC3 34a_100000077758_100000694398 [0,0,0,1,0,1|2,0,0]=4 2132 B17R3.1964 c1ccc2c(csc2c1)OCCC3CC3 7a_100000077758_100000764125 [0,0,0,1,0,1|2,0,0]=4 2133 B17R3.1964 c1ccc2c(csc2c1)SCCC3CC3 62a_100000764125_100009813928 [0,0,0,1,0,1|2,0,0]=4 2134 B17R3.1964 c1ccc2c(n[nH]c2c1)CNCC3CC3 207a_100000735609_100000059708 [0,0,0,1,0,1|2,0,0]=4 2135 B17R3.1964 c1ccc2c(n[nH]c2c1)CNCC3CC3 270004a_100000735609_100000059708 [0,0,0,1,0,1|2,0,0]=4 2136 B17R3.1964 c1ccc2c(n[nH]c2c1)SCCC3CC3 62a_100000764125_100000050141 [0,0,0,1,0,1|2,0,0]=4 2137 B17R3.1964 c1cnc2[nH]cc(c2c1)SCCC3CC3 62a_100000764125_100011934613 [0,0,0,1,0,1|2,0,0]=4 2138 B17R3.1964 c1cnc2c(c[nH]c2c1)SCCC3CC3 62a_100000764125_100009817151 [0,0,0,1,0,1|2,0,0]=4 2139 B17R3.3334 CC1CN(C1)Cc2c[nH]c3c2ccnc3 270004a_100000702820_100000087688 [0,0,0,1,0,1|2,0,0]=4 2140 B17R3.3334 CC1CN(C1)Cc2coc3c2cccc3 270004a_100000702820_100000688544 [0,0,0,1,0,1|2,0,0]=4 2141 B17R3.3334 CC1CN(C1)Cc2csc3c2cccc3 2230a_100000702820_200000742921 [0,0,0,1,0,1|2,0,0]=4 2142 B17R3.3334 CC1CN(C1)Cc2csc3c2cccc3 269982a_100000702820_200000742921 [0,0,0,1,0,1|2,0,0]=4 2143 B17R3.3334 CC1CN(C1)Cc2csc3c2cccc3 270004a_100000702820_100000239721 [0,0,0,1,0,1|2,0,0]=4 2144 B17R3.3334 CC1CN(C1)Cc2csc3c2cccc3 34a_100000702820_200000742921 [0,0,0,1,0,1|2,0,0]=4 2145 B17R3.3334 CC1CN(C1)Cc2n[nH]c3c2cccc3 270004a_100000702820_100000059708 [0,0,0,1,0,1|2,0,0]=4 2146 B17R3.5220 CN1CC(C1)c2ccc3ccccc3n2 269982a_106256037337_200000210301 [0,0,0,1,0,1|1,0,0]=3 2147 B17R3.5220 [13CH3]N1CC(C1)c2ccc3ccccc3n2 269982a_106256037337_200025704644 [0,0,0,1,0,1|1,0,0]=3 2148 B17R3.1577 CCN1CCc2c([nH]c3c2cccc3)C1 2230a_100000694026_100000210202 [0,1,0,1,0,0|0,0,0]=2 2149 B17R3.1577 CCN1CCc2c([nH]c3c2cccc3)C1 269982a_100000694026_100000204670 [0,1,0,1,0,0|0,0,0]=2 2150 B17R3.1577 CCN1CCc2c(oc3c2cccc3)C1 2230a_200016992036_100000210202 [0,1,0,1,0,0|1,0,0]=3 2151 B17R3.1577 CCN1CCc2c(oc3c2cccc3)C1 269982a_200016992036_100000204670 [0,1,0,1,0,0|1,0,0]=3 2152 B17R3.1577 FCN1CCc2c([nH]c3c2cccc3)C1 269982a_100000694026_100015361967 [0,1,0,1,0,0|0,0,0]=2 2153 B17R3.1577 FCN1CCc2c(oc3c2cccc3)C1 269982a_200016992036_100015361967 [0,1,0,1,0,0|1,0,0]=3 2154 B17R3.4804 CN1CCC2(C=Cc3c2cccc3)CC1 2230a_100016988869_200000210301 [0,1,0,1,0,0|1,0,1]=4 2155 B17R3.4804 CN1CCC2(C=Cc3c2cccc3)CC1 269982a_100016988869_200000210301 [0,1,0,1,0,0|1,0,1]=4 2156 B17R3.4804 CN1CCC2(C=Cc3c2cccc3)CC1 34a_100016988869_200000210301 [0,1,0,1,0,0|1,0,1]=4 2157 B17R3.4804 [13CH3]N1CCC2(C=Cc3c2cccc3)CC1 2230a_100016988869_200025704644 [0,1,0,1,0,0|1,0,1]=4 2158 B17R3.4804 [13CH3]N1CCC2(C=Cc3c2cccc3)CC1 269982a_100016988869_200025704644 [0,1,0,1,0,0|1,0,1]=4 2159 B17R3.4804 [13CH3]N1CCC2(C=Cc3c2cccc3)CC1 34a_100016988869_200025704644 [0,1,0,1,0,0|1,0,1]=4 2160 B17R3.9620 c1ccc2c(c[nH]c2c1)CCN3CCC3 269982a_100000754969_100011218569 [0,1,0,1,0,0|0,0,0]=2 2161 B17R3.9620 c1ccc2c(c[nH]c2c1)CNC3CCC3 270004a_100015202335_100000241760 [0,1,0,1,0,0|2,0,0]=4 2162 B17R3.9620 c1cnc2[nH]cc(c2c1)CCN3CCC3 269982a_100000754969_100009895007 [0,1,0,1,0,0|1,0,0]=3 2163 B17R3.102390 Cn1cc(c2c1cccc2)CNC3CC3 34a_100011997738_100000211595 [0,1,0,1,0,0|2,0,0]=4 2164 B13R1.90 CN(C)CCc1ccccc1C#N 2230a_100102631434_200013032965 [0,0,1,0,1,0|2,0,0]=4 2165 B13R1.90 CN(C)CCc1ccccc1C#N 269982a_100102631434_200013032965 [0,0,1,0,1,0|2,0,0]=4 2166 B13R1.90 CN(C)CCc1ccccc1C=O 2230a_100102631434_100010186698 [0,0,1,0,1,0|2,0,0]=4 2167 B13R1.90 CN(C)CCc1ccccc1C=O 269982a_100102631434_100010186698 [0,0,1,0,1,0|2,0,0]=4 2168 B13R1.90 COc1ccccc1CCN(C)C 2230a_100000231131_200000210301 [0,0,1,0,1,0|1,0,1]=4 2169 B13R1.90 COc1ccccc1CCN(C)C 2230a_100102631434_100011713687 [0,0,1,0,1,0|1,0,1]=4 2170 B13R1.90 COc1ccccc1CCN(C)C 269982a_100000231131_200000210301 [0,0,1,0,1,0|1,0,1]=4 2171 B13R1.90 COc1ccccc1CCN(C)C 269982a_100102631434_100011713687 [0,0,1,0,1,0|1,0,1]=4 2172 B13R1.90 COc1ccccc1CCN(C)C 270004a_100102631434_100011713418 [0,0,1,0,1,0|1,0,1]=4 2173 B13R1.90 COc1ccccc1CCN(C)[13CH3] 2230a_100000231131_200025704644 [0,0,1,0,1,0|1,0,1]=4 2174 B13R1.90 COc1ccccc1CCN(C)[13CH3] 269982a_100000231131_200025704644 [0,0,1,0,1,0|1,0,1]=4 2175 B13R1.201 CN(C)CC(=O)c1ccccc1Br 269982a_100102631434_100000199116 [0,0,1,0,1,0|2,0,0]=4 2176 B13R1.201 CN(C)CC(=O)c1ccccc1Cl 269982a_100102631434_100000211432 [0,0,1,0,1,0|2,0,0]=4 2177 B13R1.201 CN(C)CC(=O)c1ccccc1F 269982a_100102631434_100000204681 [0,0,1,0,1,0|2,0,0]=4 2178 B13R1.201 CN(C)CC(=O)c1ccccc1O 269982a_100102631434_100000188908 [0,0,1,0,1,0|2,0,0]=4 2179 B13R1.201 Cc1ccccc1C(=O)CN(C)C 2230a_100102631434_100000741374 [0,0,1,0,1,0|2,0,0]=4 2180 B13R1.201 Cc1ccccc1C(=O)CN(C)C 269982a_100102631434_100000741374 [0,0,1,0,1,0|2,0,0]=4 2181 B13R1.337 CC(C)CC=NNc1ccccc1 4a_100015195140_100000185833 [0,0,1,0,1,0|2,0,0]=4 2182 B13R1.337 CC(C)CCCNc1ccccc1 34a_100000106764_100011214892 [0,0,1,0,1,0|1,0,1]=4 2183 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000210206 [0,0,1,0,1,0|2,0,0]=4 2184 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100138425928_100016265936 [0,0,1,0,1,0|2,0,0]=4 2185 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100020603302_100000210206 [0,0,1,0,1,0|2,0,0]=4 2186 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100138425928_100016265936 [0,0,1,0,1,0|2,0,0]=4 2187 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000210256_100000210206 [0,0,1,0,1,0|2,0,0]=4 2188 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000212225_100016265936 [0,0,1,0,1,0|2,0,0]=4 2189 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100000210206_100016265936 [0,0,1,0,1,0|2,0,0]=4 2190 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100016265936_100000210206 [0,0,1,0,1,0|2,0,0]=4 2191 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [0,0,1,0,1,0|0,0,2]=4 2192 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [0,0,1,0,1,0|0,0,2]=4 2193 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [0,0,1,0,1,0|0,0,2]=4 2194 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [0,0,1,0,1,0|0,0,2]=4 2195 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [0,0,1,0,1,0|0,0,2]=4 2196 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [0,0,1,0,1,0|1,0,1]=4 2197 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [0,0,1,0,1,0|1,0,1]=4 2198 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [0,0,1,0,1,0|1,0,1]=4 2199 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [0,0,1,0,1,0|1,0,1]=4 2200 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [0,0,1,0,1,0|1,0,1]=4 2201 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100015183843_200000210301 [0,0,1,0,1,0|1,0,1]=4 2202 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100102631434_200011203293 [0,0,1,0,1,0|1,0,1]=4 2203 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100015183843_200000210301 [0,0,1,0,1,0|1,0,1]=4 2204 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100102631434_200011203293 [0,0,1,0,1,0|1,0,1]=4 2205 B13R1.337 CN(C)CCCSc1ccccc1 62a_100000719477_100000757444 [0,0,1,0,1,0|1,0,1]=4 2206 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [0,0,1,0,1,0|1,0,1]=4 2207 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [0,0,1,0,1,0|1,0,1]=4 2208 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [0,0,1,0,1,0|1,0,1]=4 2209 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [0,0,1,0,1,0|1,0,1]=4 2210 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [0,0,1,0,1,0|1,0,1]=4 2211 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [0,0,1,0,1,0|1,0,1]=4 2212 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [0,0,1,0,1,0|1,0,1]=4 2213 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [0,0,1,0,1,0|1,0,1]=4 2214 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [0,0,1,0,1,0|1,0,1]=4 2215 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [0,0,1,0,1,0|1,0,1]=4 2216 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [0,0,1,0,1,0|0,0,2]=4 2217 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [0,0,1,0,1,0|0,0,2]=4 2218 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [0,0,1,0,1,0|0,0,2]=4 2219 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [0,0,1,0,1,0|1,0,1]=4 2220 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [0,0,1,0,1,0|1,0,1]=4 2221 B13R1.337 CN([13CH3])CCCSc1ccccc1 2230a_100015183843_200025704644 [0,0,1,0,1,0|1,0,1]=4 2222 B13R1.337 CN([13CH3])CCCSc1ccccc1 269982a_100015183843_200025704644 [0,0,1,0,1,0|1,0,1]=4 2223 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [0,0,1,0,1,0|1,0,1]=4 2224 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [0,0,1,0,1,0|1,0,1]=4 2225 B13R2.72 CN(C)c1n[nH]c2c1cccn2 27a_100102631434_100009818534 [0,0,0,0,2,0|2,0,0]=4 2226 B13R2.72 CN(C)c1n[nH]c2c1cncc2 27a_100102631434_100009820117 [0,0,0,0,2,0|2,0,0]=4 2227 B13R2.72 CN(C)c1n[nH]c2c1nccc2 27a_100102631434_100009817118 [0,0,0,0,2,0|2,0,0]=4 2228 B15R1.84 C=Cc1ccccc1COCCN(C)C 7a_200010883148_100000755713 [0,0,1,0,0,1|1,0,1]=4 2229 B15R1.84 C=Cc1ccccc1SCCCN(C)C 62a_100011218376_100000757444 [0,0,1,0,0,1|1,0,1]=4 2230 B15R1.84 CN(C)CCCSc1ccccc1NN 62a_100000241748_100000757444 [0,0,1,0,0,1|1,0,1]=4 2231 B15R1.84 CNc1ccccc1SCCCN(C)C 62a_100020606079_100000757444 [0,0,1,0,0,1|0,0,2]=4 2232 B15R1.256 CN(C)CCC(=O)Nc1ccccc1Br 11a_100000210017_100000689311 [0,0,1,0,0,1|2,0,0]=4 2233 B15R1.256 CN(C)CCC(=O)Nc1ccccc1Br 2230a_100102631434_100000181489 [0,0,1,0,0,1|2,0,0]=4 2234 B15R1.256 CN(C)CCC(=O)Nc1ccccc1Br 269982a_100102631434_100000181489 [0,0,1,0,0,1|2,0,0]=4 2235 B15R1.256 CN(C)CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000689311 [0,0,1,0,0,1|2,0,0]=4 2236 B15R1.256 CN(C)CCC(=O)Nc1ccccc1Cl 2230a_100102631434_100000242055 [0,0,1,0,0,1|2,0,0]=4 2237 B15R1.256 CN(C)CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000689311 [0,0,1,0,0,1|2,0,0]=4 2238 B15R1.256 CN(C)CCC(=O)Nc1ccccc1Cl 269982a_100102631434_100000242055 [0,0,1,0,0,1|2,0,0]=4 2239 B15R1.256 CN(C)CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000689311 [0,0,1,0,0,1|2,0,0]=4 2240 B15R1.256 CN(C)CCC(=O)Nc1ccccc1F 11a_100000210422_100000689311 [0,0,1,0,0,1|2,0,0]=4 2241 B15R1.256 CN(C)CCC(=O)Nc1ccccc1F 2230a_100102631434_100000242066 [0,0,1,0,0,1|2,0,0]=4 2242 B15R1.256 CN(C)CCC(=O)Nc1ccccc1F 22a_100000210422_100000689311 [0,0,1,0,0,1|2,0,0]=4 2243 B15R1.256 CN(C)CCC(=O)Nc1ccccc1F 269982a_100102631434_100000242066 [0,0,1,0,0,1|2,0,0]=4 2244 B15R1.256 CN(C)CCC(=O)Nc1ccccc1F 527a_100000210422_100000689311 [0,0,1,0,0,1|2,0,0]=4 2245 B15R1.256 CN(C)CCC(=O)Nc1ccccc1I 11a_100000210053_100000689311 [0,0,1,0,0,1|2,0,0]=4 2246 B15R1.256 CN(C)CCC(=O)Nc1ccccc1O 22a_100000185747_100000689311 [0,0,1,0,0,1|2,0,0]=4 2247 B15R1.256 CN(C)CCC(=O)Nc1ccccc1O 527a_100000185747_100000689311 [0,0,1,0,0,1|2,0,0]=4 2248 B15R1.256 Cc1ccccc1NC(=O)CCN(C)C 11a_100015192222_100000689311 [0,0,1,0,0,1|2,0,0]=4 2249 B15R1.256 Cc1ccccc1NC(=O)CCN(C)C 2230a_100102631434_200011206476 [0,0,1,0,0,1|2,0,0]=4 2250 B15R1.256 Cc1ccccc1NC(=O)CCN(C)C 22a_100015192222_100000689311 [0,0,1,0,0,1|2,0,0]=4 2251 B15R1.256 Cc1ccccc1NC(=O)CCN(C)C 269982a_100102631434_200011206476 [0,0,1,0,0,1|2,0,0]=4 2252 B15R1.256 Cc1ccccc1NC(=O)CCN(C)C 527a_100015192222_100000689311 [0,0,1,0,0,1|2,0,0]=4 2253 B15R1.8019 CC(OCCN(C)C)c1ccccc1N 7a_100011405641_100000755713 [0,0,1,0,0,1|0,0,2]=4 2254 B15R1.8019 CN(C)CCCC(=O)c1ccccc1Br 1458a_100000188424_100000695564 [0,0,1,0,0,1|2,0,0]=4 2255 B15R1.8019 CN(C)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000695564 [0,0,1,0,0,1|2,0,0]=4 2256 B15R1.8019 CN(C)CCCC(=O)c1ccccc1F 1458a_100000188656_100000695564 [0,0,1,0,0,1|2,0,0]=4 2257 B15R1.8019 CN(C)CCCC(=O)c1ccccc1I 1458a_100000187884_100000695564 [0,0,1,0,0,1|2,0,0]=4 2258 B15R1.8019 CN(C)CCCC(=O)c1ccccc1O 1458a_100015234032_100000695564 [0,0,1,0,0,1|2,0,0]=4 2259 B15R1.8019 CN(C)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000695564 [0,0,1,0,0,1|2,0,0]=4 2260 B15R1.8019 CN(C)CCNC(=O)c1ccccc1Br 240690a_100000210585_100000188424 [0,0,1,0,0,1|2,0,0]=4 2261 B15R1.8019 CN(C)CCNC(=O)c1ccccc1Br 527a_100000210585_100000188424 [0,0,1,0,0,1|2,0,0]=4 2262 B15R1.8019 CN(C)CCNC(=O)c1ccccc1Cl 240690a_100000210585_100000185844 [0,0,1,0,0,1|2,0,0]=4 2263 B15R1.8019 CN(C)CCNC(=O)c1ccccc1Cl 527a_100000210585_100000185844 [0,0,1,0,0,1|2,0,0]=4 2264 B15R1.8019 CN(C)CCNC(=O)c1ccccc1F 240690a_100000210585_100000188656 [0,0,1,0,0,1|2,0,0]=4 2265 B15R1.8019 CN(C)CCNC(=O)c1ccccc1F 527a_100000210585_100000188656 [0,0,1,0,0,1|2,0,0]=4 2266 B15R1.8019 CN(C)CCNC(=O)c1ccccc1I 240690a_100000210585_100000187884 [0,0,1,0,0,1|2,0,0]=4 2267 B15R1.8019 CN(C)CCNC(=O)c1ccccc1I 527a_100000210585_100000187884 [0,0,1,0,0,1|2,0,0]=4 2268 B15R1.8019 CN(C)CCNC(=O)c1ccccc1O 240690a_100000210585_100015234032 [0,0,1,0,0,1|2,0,0]=4 2269 B15R1.8019 CN(C)CCNC(=O)c1ccccc1[O-] 240690a_100000210585_100009911694 [0,0,1,0,0,1|2,0,0]=4 2270 B15R1.8019 CN(C)CCNC(=O)c1ccccc1[O-] 527a_100000210585_100009911694 [0,0,1,0,0,1|2,0,0]=4 2271 B15R1.8019 Cc1ccccc1C(=O)CCCN(C)C 1458a_100000212026_100000695564 [0,0,1,0,0,1|2,0,0]=4 2272 B15R1.8019 Cc1ccccc1C(=O)NCCN(C)C 240690a_100000210585_100000212026 [0,0,1,0,0,1|2,0,0]=4 2273 B15R1.8019 Cc1ccccc1C(=O)NCCN(C)C 527a_100000210585_100000212026 [0,0,1,0,0,1|2,0,0]=4 2274 B15R1.504 CN(C)CCCCNCc1ccccc1 207a_100025707445_100015611070 [0,0,1,0,0,1|0,0,2]=4 2275 B15R1.504 CN(C)CCNCC=Cc1ccccc1 270004a_100000210585_100000210105 [0,0,1,0,0,1|1,0,1]=4 2276 B15R1.504 CN(C)CCSC/C=C/c1ccccc1 62a_100016265936_100000755713 [0,0,1,0,0,1|1,0,1]=4 2277 B15R1.5331 C=CC(OCCN(C)C)c1ccccc1 7a_100011215659_100000755713 [0,0,1,0,0,1|1,0,1]=4 2278 B15R1.5331 C=CC(SCCN(C)C)c1ccccc1 62a_200000085779_100000755713 [0,0,1,0,0,1|1,0,1]=4 2279 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,0,0,0,1|2,0,0]=4 2280 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [1,0,0,0,0,1|2,0,0]=4 2281 B15R2.352 CCCCc1cnc2ccccc2c1 271570a_100020621405_100000737414 [1,0,0,0,0,1|1,0,1]=4 2282 B15R2.352 CCCCc1cnc2ccccc2n1 271570a_100020621405_100000756483 [1,0,0,0,0,1|1,0,1]=4 2283 B15R2.352 CNCCc1ccc2ccccc2c1 2230a_100000746582_200000210301 [1,0,0,0,0,1|1,0,0]=3 2284 B15R2.352 CNCCc1ccc2ccccc2c1 34a_100000746582_200000210301 [1,0,0,0,0,1|1,0,0]=3 2285 B15R2.352 COCCc1ccc2ccccc2c1 34a_100000755654_200000210301 [1,0,0,0,0,1|2,0,0]=4 2286 B15R2.352 COCCc1ccc2ccccc2c1 7a_100000755654_200000210301 [1,0,0,0,0,1|2,0,0]=4 2287 B15R2.352 COCCc1ccc2ccccc2n1 34a_100011996444_200000210301 [1,0,0,0,0,1|2,0,0]=4 2288 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 2230a_100000746582_200025704644 [1,0,0,0,0,1|1,0,0]=3 2289 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 34a_100000746582_200025704644 [1,0,0,0,0,1|1,0,0]=3 2290 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 34a_100000755654_200025704644 [1,0,0,0,0,1|2,0,0]=4 2291 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 7a_100000755654_200025704644 [1,0,0,0,0,1|2,0,0]=4 2292 B15R2.352 [13CH3]OCCc1ccc2ccccc2n1 34a_100011996444_200025704644 [1,0,0,0,0,1|2,0,0]=4 2293 B15R2.18471 CCCCc1cccc2c1cccc2 271570a_100020621405_100000210605 [1,0,0,0,0,1|2,0,0]=4 2294 B15R2.18471 CCCCc1ccnc2c1cccc2 271570a_100020621405_100011215880 [1,0,0,0,0,1|1,0,1]=4 2295 B15R2.18471 CCCCc1cncc2c1cccc2 271570a_100020621405_100000187577 [1,0,0,0,0,1|1,0,1]=4 2296 B15R2.18471 CCCCc1cnnc2c1cccc2 271570a_100020621405_100000063506 [1,0,0,0,0,1|1,0,1]=4 2297 B15R2.18471 CCCCc1nccc2c1cccc2 271570a_100020621405_100011934041 [1,0,0,0,0,1|2,0,0]=4 2298 B15R2.18471 CCCCc1ncnc2c1cccc2 271570a_100020621405_100000217608 [1,0,0,0,0,1|1,0,1]=4 2299 B15R2.18471 CNCCc1cccc2c1cccc2 2230a_100000751862_200000210301 [1,0,0,0,0,1|1,0,0]=3 2300 B15R2.18471 CNCCc1cccc2c1cccc2 2230a_106832991635_100011290781 [1,0,0,0,0,1|1,0,0]=3 2301 B15R2.18471 CNCCc1cccc2c1cccc2 34a_100000751862_200000210301 [1,0,0,0,0,1|1,0,0]=3 2302 B15R2.18471 CNCCc1cccc2c1cccc2 34a_100102657272_100011290781 [1,0,0,0,0,1|1,0,0]=3 2303 B15R2.18471 CNCCc1cccc2c1cccc2 7a_106832991635_100011290781 [1,0,0,0,0,1|1,0,0]=3 2304 B15R2.18471 COCCc1cccc2c1cccc2 34a_100011219628_200000210301 [1,0,0,0,0,1|2,0,0]=4 2305 B15R2.18471 COCCc1cccc2c1cccc2 34a_100138415774_100011290781 [1,0,0,0,0,1|2,0,0]=4 2306 B15R2.18471 COCCc1cccc2c1cccc2 7a_100011219628_200000210301 [1,0,0,0,0,1|2,0,0]=4 2307 B15R2.18471 CSCCc1cccc2c1cccc2 62a_100011290781_200000210301 [1,0,0,0,0,1|2,0,0]=4 2308 B15R2.18471 CSCCc1cccc2c1cccc2 62a_200000210301_100011290781 [1,0,0,0,0,1|2,0,0]=4 2309 B15R2.18471 [13CH3]NCCc1cccc2c1cccc2 2230a_100000751862_200025704644 [1,0,0,0,0,1|1,0,0]=3 2310 B15R2.18471 [13CH3]NCCc1cccc2c1cccc2 34a_100000751862_200025704644 [1,0,0,0,0,1|1,0,0]=3 2311 B15R2.18471 [13CH3]OCCc1cccc2c1cccc2 34a_100011219628_200025704644 [1,0,0,0,0,1|2,0,0]=4 2312 B15R2.18471 [13CH3]OCCc1cccc2c1cccc2 7a_100011219628_200025704644 [1,0,0,0,0,1|2,0,0]=4 2313 B15R2.18471 [13CH3]SCCc1cccc2c1cccc2 62a_100011290781_200025704644 [1,0,0,0,0,1|2,0,0]=4 2314 B15R2.18471 [13CH3]SCCc1cccc2c1cccc2 62a_200025704644_100011290781 [1,0,0,0,0,1|2,0,0]=4 2315 B17R2.137 C=C(C)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000748629 [0,0,0,0,0,2|1,0,1]=4 2316 B17R2.137 C=C(C)COCCc1c[nH]c2c1cccc2 34a_100000210245_100011218569 [0,0,0,0,0,2|1,0,1]=4 2317 B17R2.137 C=C(C)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000748629 [0,0,0,0,0,2|1,0,1]=4 2318 B17R2.137 C=C(C)CSCCc1c[nH]c2c1cccc2 62a_100000748629_100011218569 [0,0,0,0,0,2|1,0,1]=4 2319 B17R2.137 CC(=CCCOc1csc2c1cccc2)C 34a_100000077758_100011217483 [0,0,0,0,0,2|2,0,0]=4 2320 B17R2.137 CC(=CCCOc1csc2c1cccc2)C 7a_100000077758_100011217483 [0,0,0,0,0,2|2,0,0]=4 2321 B17R2.137 CC(=CCCSc1c[nH]c2c1cccn2)C 62a_100011217483_100011934613 [0,0,0,0,0,2|2,0,0]=4 2322 B17R2.137 CC(=CCCSc1c[nH]c2c1ccnc2)C 62a_100011217483_100010232032 [0,0,0,0,0,2|2,0,0]=4 2323 B17R2.137 CC(=CCCSc1c[nH]c2c1cncc2)C 62a_100011217483_100000753697 [0,0,0,0,0,2|2,0,0]=4 2324 B17R2.137 CC(=CCCSc1c[nH]c2c1nccc2)C 62a_100011217483_100009817151 [0,0,0,0,0,2|2,0,0]=4 2325 B17R2.137 CC(=CCCSc1coc2c1cccc2)C 62a_100011217483_100009812202 [0,0,0,0,0,2|2,0,0]=4 2326 B17R2.137 CC(=CCCSc1n[nH]c2c1cccc2)C 62a_100011217483_100000050141 [0,0,0,0,0,2|2,0,0]=4 2327 B17R2.137 CC(=CCNCc1c[nH]c2c1ccnc2)C 270004a_100000718196_100000087688 [0,0,0,0,0,2|2,0,0]=4 2328 B17R2.137 CC(=CCNCc1coc2c1cccc2)C 270004a_100000718196_100000688544 [0,0,0,0,0,2|2,0,0]=4 2329 B17R2.137 CC(=CCNCc1csc2c1cccc2)C 270004a_100000718196_100000239721 [0,0,0,0,0,2|2,0,0]=4 2330 B17R2.137 CC(=CCNCc1csc2c1cccc2)C 34a_100000718196_200000742921 [0,0,0,0,0,2|2,0,0]=4 2331 B17R2.137 CC(=CCNCc1csc2c1cccc2)C 34a_100000744611_100000761012 [0,0,0,0,0,2|2,0,0]=4 2332 B17R2.137 CC(=CCNCc1n[nH]c2c1cccc2)C 270004a_100000718196_100000059708 [0,0,0,0,0,2|2,0,0]=4 2333 B17R2.137 CC(=CCOCc1csc2c1cccc2)C 34a_100000753907_200000742921 [0,0,0,0,0,2|2,0,0]=4 2334 B17R2.137 CC(=CCOCc1csc2c1cccc2)C 34a_100011219454_100000761012 [0,0,0,0,0,2|2,0,0]=4 2335 B17R2.137 CC(=O)COCCc1c[nH]c2c1cccc2 34a_100000211253_100011218569 [0,0,0,0,0,2|2,0,0]=4 2336 B17R2.137 CC(=O)NCCCc1c[nH]c2c1cccc2 240690a_100102525078_100015343762 [0,0,0,0,0,2|2,0,0]=4 2337 B17R2.137 CC(=O)NCCCc1c[nH]c2c1cccc2 527a_100102525078_100103153847 [0,0,0,0,0,2|2,0,0]=4 2338 B17R2.137 CC(Br)COCCc1c[nH]c2c1cccc2 34a_100012180447_100011218569 [0,0,0,0,0,2|2,0,0]=4 2339 B17R2.137 CC(C)CCCOc1csc2c1cccc2 34a_100000077758_100011214892 [0,0,0,0,0,2|2,0,0]=4 2340 B17R2.137 CC(C)CCCOc1csc2c1cccc2 7a_100000077758_100011214892 [0,0,0,0,0,2|2,0,0]=4 2341 B17R2.137 CC(C)CCCSc1c[nH]c2c1cccn2 62a_100011214892_100011934613 [0,0,0,0,0,2|2,0,0]=4 2342 B17R2.137 CC(C)CCCSc1c[nH]c2c1ccnc2 62a_100011214892_100010232032 [0,0,0,0,0,2|2,0,0]=4 2343 B17R2.137 CC(C)CCCSc1c[nH]c2c1cncc2 62a_100011214892_100000753697 [0,0,0,0,0,2|2,0,0]=4 2344 B17R2.137 CC(C)CCCSc1c[nH]c2c1nccc2 62a_100011214892_100009817151 [0,0,0,0,0,2|2,0,0]=4 2345 B17R2.137 CC(C)CCCSc1coc2c1cccc2 62a_100011214892_100009812202 [0,0,0,0,0,2|2,0,0]=4 2346 B17R2.137 CC(C)CCCSc1n[nH]c2c1cccc2 62a_100011214892_100000050141 [0,0,0,0,0,2|2,0,0]=4 2347 B17R2.137 CC(C)CCNCc1c[nH]c2c1ccnc2 270004a_100000210545_100000087688 [0,0,0,0,0,2|2,0,0]=4 2348 B17R2.137 CC(C)CCNCc1coc2c1cccc2 207a_100000210545_100000688544 [0,0,0,0,0,2|2,0,0]=4 2349 B17R2.137 CC(C)CCNCc1coc2c1cccc2 270004a_100000210545_100000688544 [0,0,0,0,0,2|2,0,0]=4 2350 B17R2.137 CC(C)CCNCc1csc2c1cccc2 207a_100000210545_100000239721 [0,0,0,0,0,2|2,0,0]=4 2351 B17R2.137 CC(C)CCNCc1csc2c1cccc2 269862a_100000744611_100000185833 [0,0,0,0,0,2|2,0,0]=4 2352 B17R2.137 CC(C)CCNCc1csc2c1cccc2 270004a_100000210545_100000239721 [0,0,0,0,0,2|2,0,0]=4 2353 B17R2.137 CC(C)CCNCc1csc2c1cccc2 34a_100000744611_100000210312 [0,0,0,0,0,2|2,0,0]=4 2354 B17R2.137 CC(C)CCNCc1n[nH]c2c1cccc2 207a_100000210545_100000059708 [0,0,0,0,0,2|2,0,0]=4 2355 B17R2.137 CC(C)CCNCc1n[nH]c2c1cccc2 270004a_100000210545_100000059708 [0,0,0,0,0,2|2,0,0]=4 2356 B17R2.137 CC(C)CCOCc1csc2c1cccc2 34a_100000210254_200000742921 [0,0,0,0,0,2|2,0,0]=4 2357 B17R2.137 CC(C)CCOCc1csc2c1cccc2 34a_100011219454_100000210312 [0,0,0,0,0,2|2,0,0]=4 2358 B17R2.137 CC(C)CNCCc1c[nH]c2c1cccc2 2230a_100000210953_100011218569 [0,0,0,0,0,2|1,0,0]=3 2359 B17R2.137 CC(C)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210760 [0,0,0,0,0,2|1,0,0]=3 2360 B17R2.137 CC(C)CNCCc1c[nH]c2c1cccc2 270004a_100000211132_100000210432 [0,0,0,0,0,2|1,0,0]=3 2361 B17R2.137 CC(C)CNCCc1c[nH]c2c1cccc2 34a_100000210953_100011218569 [0,0,0,0,0,2|1,0,0]=3 2362 B17R2.137 CC(C)CNCCc1c[nH]c2c1cccn2 2230a_100000210953_100009895007 [0,0,0,0,0,2|2,0,0]=4 2363 B17R2.137 CC(C)CNCCc1coc2c1cccc2 2230a_100011934666_100000210760 [0,0,0,0,0,2|2,0,0]=4 2364 B17R2.137 CC(C)CNCCc1coc2c1cccc2 270004a_100011934666_100000210432 [0,0,0,0,0,2|2,0,0]=4 2365 B17R2.137 CC(C)CNCCc1coc2c1cccc2 34a_100011934666_100000210624 [0,0,0,0,0,2|2,0,0]=4 2366 B17R2.137 CC(C)COCCc1c[nH]c2c1cccc2 34a_100000210257_100011218569 [0,0,0,0,0,2|1,0,0]=3 2367 B17R2.137 CC(C)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000210624 [0,0,0,0,0,2|1,0,0]=3 2368 B17R2.137 CC(C)CSCCc1c[nH]c2c1cccc2 62a_100000210624_100011218569 [0,0,0,0,0,2|1,0,0]=3 2369 B17R2.137 CC(C)CSCCc1c[nH]c2c1cccn2 62a_100000210624_100009895007 [0,0,0,0,0,2|2,0,0]=4 2370 B17R2.137 CC(C)OCCCc1c[nH]c2c1cccc2 34a_100102524900_100000210206 [0,0,0,0,0,2|1,0,0]=3 2371 B17R2.137 CC(C)OCCOc1csc2c1cccc2 34a_100000077758_100000211751 [0,0,0,0,0,2|2,0,0]=4 2372 B17R2.137 CC(C)OCCOc1csc2c1cccc2 7a_100000077758_100000211751 [0,0,0,0,0,2|2,0,0]=4 2373 B17R2.137 CC(C)OCCSc1c[nH]c2c1cccn2 62a_100000211751_100011934613 [0,0,0,0,0,2|2,0,0]=4 2374 B17R2.137 CC(C)OCCSc1c[nH]c2c1ccnc2 62a_100000211751_100010232032 [0,0,0,0,0,2|2,0,0]=4 2375 B17R2.137 CC(C)OCCSc1c[nH]c2c1cncc2 62a_100000211751_100000753697 [0,0,0,0,0,2|2,0,0]=4 2376 B17R2.137 CC(C)OCCSc1c[nH]c2c1nccc2 62a_100000211751_100009817151 [0,0,0,0,0,2|2,0,0]=4 2377 B17R2.137 CC(C)OCCSc1coc2c1cccc2 62a_100000211751_100009812202 [0,0,0,0,0,2|2,0,0]=4 2378 B17R2.137 CC(C)OCCSc1csc2c1cccc2 62a_100000211751_100009813928 [0,0,0,0,0,2|2,0,0]=4 2379 B17R2.137 CC(C)OCCSc1n[nH]c2c1cccc2 62a_100000211751_100000050141 [0,0,0,0,0,2|2,0,0]=4 2380 B17R2.137 CC(C)OCNCc1csc2c1cccc2 34a_100000744611_100000709892 [0,0,0,0,0,2|2,0,0]=4 2381 B17R2.137 CC(C)OCOCc1csc2c1cccc2 34a_100011219454_100000709892 [0,0,0,0,0,2|2,0,0]=4 2382 B17R2.137 CC(C)OCSCc1csc2c1cccc2 62a_100000709892_200000742921 [0,0,0,0,0,2|2,0,0]=4 2383 B17R2.137 CC(C)OCSCc1csc2c1cccc2 62a_200000742921_100000709892 [0,0,0,0,0,2|2,0,0]=4 2384 B17R2.137 CC(C)SCCOc1csc2c1cccc2 34a_100000077758_100000730970 [0,0,0,0,0,2|2,0,0]=4 2385 B17R2.137 CC(C)SCCOc1csc2c1cccc2 7a_100000077758_100000730970 [0,0,0,0,0,2|2,0,0]=4 2386 B17R2.137 CC(C)SCCSc1c[nH]c2c1cccn2 62a_100000730970_100011934613 [0,0,0,0,0,2|2,0,0]=4 2387 B17R2.137 CC(C)SCCSc1c[nH]c2c1ccnc2 62a_100000730970_100010232032 [0,0,0,0,0,2|2,0,0]=4 2388 B17R2.137 CC(C)SCCSc1c[nH]c2c1cncc2 62a_100000730970_100000753697 [0,0,0,0,0,2|2,0,0]=4 2389 B17R2.137 CC(C)SCCSc1c[nH]c2c1nccc2 62a_100000730970_100009817151 [0,0,0,0,0,2|2,0,0]=4 2390 B17R2.137 CC(C)SCCSc1coc2c1cccc2 62a_100000730970_100009812202 [0,0,0,0,0,2|2,0,0]=4 2391 B17R2.137 CC(C)SCCSc1n[nH]c2c1cccc2 62a_100000730970_100000050141 [0,0,0,0,0,2|2,0,0]=4 2392 B17R2.137 CC(F)COCCc1c[nH]c2c1cccc2 34a_100015925927_100011218569 [0,0,0,0,0,2|2,0,0]=4 2393 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccc2 2230a_100000210904_100011218569 [0,0,0,0,0,2|2,0,0]=4 2394 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011218427 [0,0,0,0,0,2|2,0,0]=4 2395 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccc2 34a_100000210904_100011218569 [0,0,0,0,0,2|2,0,0]=4 2396 B17R2.137 CC(O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100011218427 [0,0,0,0,0,2|2,0,0]=4 2397 B17R2.137 CC(O)CSCCc1c[nH]c2c1cccc2 62a_100011218427_100011218569 [0,0,0,0,0,2|2,0,0]=4 2398 B17R2.137 CN(C)CCCNc1n[nH]c2c1cccn2 27a_102531767803_100009818534 [0,0,0,0,0,2|2,0,0]=4 2399 B17R2.137 CN(C)CCCNc1n[nH]c2c1cncc2 27a_102531767803_100009820117 [0,0,0,0,0,2|2,0,0]=4 2400 B17R2.137 CN(C)CCCNc1n[nH]c2c1nccc2 27a_102531767803_100009817118 [0,0,0,0,0,2|2,0,0]=4 2401 B17R2.137 CN(C)CCCOc1csc2c1cccc2 7a_100000077758_100000757444 [0,0,0,0,0,2|1,0,0]=3 2402 B17R2.137 CN(C)CCCSc1c[nH]c2c1cncn2 62a_100009817560_100000757444 [0,0,0,0,0,2|2,0,0]=4 2403 B17R2.137 CN(C)CCCSc1csc2c1cccn2 62a_100009830249_100000757444 [0,0,0,0,0,2|2,0,0]=4 2404 B17R2.137 CN(C)CCCSc1csc2c1ccnc2 62a_100009817111_100000757444 [0,0,0,0,0,2|2,0,0]=4 2405 B17R2.137 CN(C)CCCSc1csc2c1cncc2 62a_100010247091_100000757444 [0,0,0,0,0,2|2,0,0]=4 2406 B17R2.137 CN(C)CCCSc1noc2c1cccc2 62a_200000703156_100000757444 [0,0,0,0,0,2|2,0,0]=4 2407 B17R2.137 CN(C)CCNCc1c[nH]c2c1ccnc2 270004a_100000210585_100000087688 [0,0,0,0,0,2|1,0,0]=3 2408 B17R2.137 CN(C)CCNCc1cnc2n1cccc2 207a_100000210585_100000052358 [0,0,0,0,0,2|1,0,1]=4 2409 B17R2.137 CN(C)CCNCc1cnc2n1cccc2 270004a_100000210585_100000052358 [0,0,0,0,0,2|1,0,1]=4 2410 B17R2.137 CN(C)CCNCc1cnn2c1cccc2 207a_100000210585_100011787723 [0,0,0,0,0,2|1,0,1]=4 2411 B17R2.137 CN(C)CCNCc1cnn2c1cccc2 270004a_100000210585_100011787723 [0,0,0,0,0,2|1,0,1]=4 2412 B17R2.137 CN(C)CCNCc1coc2c1cccc2 207a_100000210585_100000688544 [0,0,0,0,0,2|1,0,0]=3 2413 B17R2.137 CN(C)CCNCc1coc2c1cccc2 270004a_100000210585_100000688544 [0,0,0,0,0,2|1,0,0]=3 2414 B17R2.137 CN(C)CCNCc1csc2c1cccc2 207a_100000210585_100000239721 [0,0,0,0,0,2|1,0,0]=3 2415 B17R2.137 CN(C)CCNCc1csc2c1cccc2 270004a_100000210585_100000239721 [0,0,0,0,0,2|1,0,0]=3 2416 B17R2.137 CN(C)CCNCc1n[nH]c2c1cccc2 207a_100000210585_100000059708 [0,0,0,0,0,2|1,0,0]=3 2417 B17R2.137 CN(C)CCNCc1n[nH]c2c1cccc2 270004a_100000210585_100000059708 [0,0,0,0,0,2|1,0,0]=3 2418 B17R2.137 CN(C)CCSCc1csc2c1cccc2 62a_200000742921_100000755713 [0,0,0,0,0,2|1,0,0]=3 2419 B17R2.137 CN(C)CCSCc1noc2c1cccc2 62a_100009813815_100000755713 [0,0,0,0,0,2|2,0,0]=4 2420 B17R2.137 C[C@@H](Cl)COCCc1c[nH]c2c1cccc2 34a_100016084084_100011218569 [0,0,0,0,0,2|2,0,0]=4 2421 B17R2.137 C[C@@H](N)COCCc1c[nH]c2c1cccc2 34a_100000737577_100011218569 [0,0,0,0,0,2|2,0,0]=4 2422 B17R2.137 C[C@@H](O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100009817552 [0,0,0,0,0,2|2,0,0]=4 2423 B17R2.137 C[C@@H](O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100009817552 [0,0,0,0,0,2|2,0,0]=4 2424 B17R2.137 C[C@@H](O)CSCCc1c[nH]c2c1cccc2 62a_100009817552_100011218569 [0,0,0,0,0,2|2,0,0]=4 2425 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000210312 [0,0,0,0,0,2|2,0,0]=4 2426 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000210626 [0,0,0,0,0,2|2,0,0]=4 2427 B17R2.5669 CC(C)CCNc1ccc2ccccc2n1 27a_100000210545_100011291633 [0,0,0,0,0,2|2,0,0]=4 2428 B17R2.5669 CC(C)CCNc1cnc2ccccc2n1 27a_100000210545_100000756483 [0,0,0,0,0,2|1,0,1]=4 2429 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000210312 [0,0,0,0,0,2|2,0,0]=4 2430 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000210626 [0,0,0,0,0,2|2,0,0]=4 2431 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000210312 [0,0,0,0,0,2|1,0,1]=4 2432 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000210626 [0,0,0,0,0,2|1,0,1]=4 2433 B17R2.5669 CC(C)CCSc1ccc2ccccc2c1 62a_100000210312_100000233703 [0,0,0,0,0,2|2,0,0]=4 2434 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100000210312_100011291633 [0,0,0,0,0,2|2,0,0]=4 2435 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000210312 [0,0,0,0,0,2|2,0,0]=4 2436 B17R2.5669 CC(C)CCSc1cnc2ccccc2c1 62a_100000210312_100000737414 [0,0,0,0,0,2|1,0,1]=4 2437 B17R2.5669 CC(C)CCSc1cnc2ccccc2n1 62a_100000210312_100000756483 [0,0,0,0,0,2|1,0,1]=4 2438 B17R2.5669 CC(C)CCSc1cnc2ccccc2n1 62a_100000756483_100000210312 [0,0,0,0,0,2|1,0,1]=4 2439 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 207a_100000210953_100000211584 [0,0,0,0,0,2|2,0,0]=4 2440 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000210953_100011216711 [0,0,0,0,0,2|2,0,0]=4 2441 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000210760 [0,0,0,0,0,2|2,0,0]=4 2442 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000210953_100000211584 [0,0,0,0,0,2|2,0,0]=4 2443 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000739491_100000210432 [0,0,0,0,0,2|2,0,0]=4 2444 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000210953_100011216711 [0,0,0,0,0,2|2,0,0]=4 2445 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000739491_100000210624 [0,0,0,0,0,2|2,0,0]=4 2446 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 207a_100000210953_100000759686 [0,0,0,0,0,2|2,0,0]=4 2447 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 2230a_100000210953_100000737579 [0,0,0,0,0,2|2,0,0]=4 2448 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 270004a_100000210953_100000759686 [0,0,0,0,0,2|2,0,0]=4 2449 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 34a_100000210953_100000737579 [0,0,0,0,0,2|2,0,0]=4 2450 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 207a_100000210953_100000750898 [0,0,0,0,0,2|1,0,1]=4 2451 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 270004a_100000210953_100000750898 [0,0,0,0,0,2|1,0,1]=4 2452 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 270004a_100000742225_100000210432 [0,0,0,0,0,2|1,0,1]=4 2453 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 34a_100000742225_100000210624 [0,0,0,0,0,2|1,0,1]=4 2454 B17R2.5669 CC(C)CNCc1cnc2ccccc2n1 270004a_100000210953_100000204677 [0,0,0,0,0,2|1,0,1]=4 2455 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100000210257_100011216711 [0,0,0,0,0,2|2,0,0]=4 2456 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100011215330_100000210624 [0,0,0,0,0,2|2,0,0]=4 2457 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 7a_100011215330_100000210760 [0,0,0,0,0,2|2,0,0]=4 2458 B17R2.5669 CC(C)COCc1ccc2ccccc2n1 34a_100000210257_100000737579 [0,0,0,0,0,2|2,0,0]=4 2459 B17R2.5669 CC(C)COCc1cnc2ccccc2c1 34a_100011258773_100000210624 [0,0,0,0,0,2|1,0,1]=4 2460 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100000210624_100011216711 [0,0,0,0,0,2|2,0,0]=4 2461 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100011216711_100000210760 [0,0,0,0,0,2|2,0,0]=4 2462 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000210624_100000737579 [0,0,0,0,0,2|2,0,0]=4 2463 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000737579_100000210760 [0,0,0,0,0,2|2,0,0]=4 2464 B17R2.5669 CC(C)CSCc1cnc2ccccc2n1 62a_100000210624_200000751123 [0,0,0,0,0,2|1,0,1]=4 2465 B17R2.5669 CC(C)CSCc1cnc2ccccc2n1 62a_200000751123_100000210760 [0,0,0,0,0,2|1,0,1]=4 2466 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 2230a_100000746582_100000210206 [0,0,0,0,0,2|2,0,0]=4 2467 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 34a_100000746582_100000210206 [0,0,0,0,0,2|2,0,0]=4 2468 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 34a_100000755654_100000210206 [0,0,0,0,0,2|2,0,0]=4 2469 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 7a_100000755654_100000210206 [0,0,0,0,0,2|2,0,0]=4 2470 B17R2.5669 CC(C)OCCc1ccc2ccccc2n1 34a_100011996444_100000210206 [0,0,0,0,0,2|2,0,0]=4 2471 B17R2.5669 CN(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000755713 [0,0,0,0,0,2|1,0,0]=3 2472 B17R2.5669 CN(C)CCNc1ccc2ccccc2n1 27a_100000210585_100011291633 [0,0,0,0,0,2|1,0,0]=3 2473 B17R2.5669 CN(C)CCNc1ccc2cccnc2n1 27a_100000210585_100000075685 [0,0,0,0,0,2|2,0,0]=4 2474 B17R2.5669 CN(C)CCNc1ccc2ccncc2n1 27a_100000210585_100000020162 [0,0,0,0,0,2|2,0,0]=4 2475 B17R2.5669 CN(C)CCNc1ccc2ncccc2n1 27a_100000210585_100000073381 [0,0,0,0,0,2|2,0,0]=4 2476 B17R2.5669 CN(C)CCNc1cnc2ccccc2n1 27a_100000210585_100000756483 [0,0,0,0,0,2|0,0,1]=3 2477 B17R2.5669 CN(C)CCNc1cnc2cccnc2n1 27a_100000210585_200010275043 [0,0,0,0,0,2|1,0,1]=4 2478 B17R2.5669 CN(C)CCNc1cnc2ncccc2n1 27a_100000210585_100000084304 [0,0,0,0,0,2|1,0,1]=4 2479 B17R2.5669 CN(C)CCNc1ncc2ccccc2n1 27a_100000210585_100000097389 [0,0,0,0,0,2|2,0,0]=4 2480 B17R2.5669 CN(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000755713 [0,0,0,0,0,2|1,0,0]=3 2481 B17R2.5669 CN(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000755713 [0,0,0,0,0,2|2,0,0]=4 2482 B17R2.5669 CN(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000755713 [0,0,0,0,0,2|2,0,0]=4 2483 B17R2.5669 CN(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000755713 [0,0,0,0,0,2|2,0,0]=4 2484 B17R2.5669 CN(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000755713 [0,0,0,0,0,2|0,0,1]=3 2485 B17R2.5669 CN(C)CCSc1cc2ccccc2cn1 62a_100009816522_100000755713 [0,0,0,0,0,2|2,0,0]=4 2486 B17R2.5669 CN(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000755713 [0,0,0,0,0,2|1,0,0]=3 2487 B17R2.5669 CN(C)CCSc1ccc2cccnc2n1 62a_100000075685_100000755713 [0,0,0,0,0,2|2,0,0]=4 2488 B17R2.5669 CN(C)CCSc1ccc2ccncc2c1 62a_100000686496_100000755713 [0,0,0,0,0,2|2,0,0]=4 2489 B17R2.5669 CN(C)CCSc1ccc2cnccc2c1 62a_100009816743_100000755713 [0,0,0,0,0,2|2,0,0]=4 2490 B17R2.5669 CN(C)CCSc1ccc2ncccc2c1 62a_100011215947_100000755713 [0,0,0,0,0,2|2,0,0]=4 2491 B17R2.5669 CN(C)CCSc1cnc2ccccc2n1 62a_100000756483_100000755713 [0,0,0,0,0,2|0,0,1]=3 2492 B17R2.5669 CN(C)CCSc1cnc2cccnc2c1 62a_100010246316_100000755713 [0,0,0,0,0,2|1,0,1]=4 2493 B17R2.5669 CN(C)CCSc1cnc2cccnc2n1 62a_200010275043_100000755713 [0,0,0,0,0,2|1,0,1]=4 2494 B17R2.5669 CN(C)CCSc1cnc2ncccc2n1 62a_100000084304_100000755713 [0,0,0,0,0,2|1,0,1]=4 2495 B17R2.291558 CC(C)CCNc1cccc2c1cccc2 34a_100000185869_100000210312 [0,0,0,0,0,2|2,0,0]=4 2496 B17R2.291558 CC(C)CCNc1ccnc2c1cccc2 27a_100000210545_100011215880 [0,0,0,0,0,2|1,0,1]=4 2497 B17R2.291558 CC(C)CCNc1cnnc2c1cccc2 27a_100000210545_100000063506 [0,0,0,0,0,2|1,0,1]=4 2498 B17R2.291558 CC(C)CCNc1nccc2c1cccc2 27a_100000210545_100011934041 [0,0,0,0,0,2|2,0,0]=4 2499 B17R2.291558 CC(C)CCNc1ncnc2c1cccc2 27a_100000210545_100000217608 [0,0,0,0,0,2|1,0,1]=4 2500 B17R2.291558 CC(C)CCOc1cccc2c1cccc2 34a_100000210388_100000210312 [0,0,0,0,0,2|2,0,0]=4 2501 B17R2.291558 CC(C)CCOc1cccc2c1cccc2 7a_100000210388_100000210626 [0,0,0,0,0,2|2,0,0]=4 2502 B17R2.291558 CC(C)CCOc1cncc2c1cccc2 34a_100000066178_100000210312 [0,0,0,0,0,2|1,0,1]=4 2503 B17R2.291558 CC(C)CCOc1cncc2c1cccc2 7a_100000066178_100000210626 [0,0,0,0,0,2|1,0,1]=4 2504 B17R2.291558 CC(C)CCOc1nccc2c1cccc2 34a_102531767632_100000210312 [0,0,0,0,0,2|2,0,0]=4 2505 B17R2.291558 CC(C)CCSc1cccc2c1cccc2 62a_100000210312_100000210605 [0,0,0,0,0,2|2,0,0]=4 2506 B17R2.291558 CC(C)CCSc1ccnc2c1cccc2 62a_100000210312_100011215880 [0,0,0,0,0,2|1,0,1]=4 2507 B17R2.291558 CC(C)CCSc1ccnc2c1cccc2 62a_100011458314_100000210312 [0,0,0,0,0,2|1,0,1]=4 2508 B17R2.291558 CC(C)CCSc1cncc2c1cccc2 62a_100000187577_100000210312 [0,0,0,0,0,2|1,0,1]=4 2509 B17R2.291558 CC(C)CCSc1cncc2c1cccc2 62a_100000210312_100000187577 [0,0,0,0,0,2|1,0,1]=4 2510 B17R2.291558 CC(C)CCSc1cnnc2c1cccc2 62a_100000210312_100000063506 [0,0,0,0,0,2|1,0,1]=4 2511 B17R2.291558 CC(C)CCSc1nccc2c1cccc2 62a_100000210312_100011934041 [0,0,0,0,0,2|2,0,0]=4 2512 B17R2.291558 CC(C)CCSc1nccc2c1cccc2 62a_100011934041_100000210312 [0,0,0,0,0,2|2,0,0]=4 2513 B17R2.291558 CC(C)CCSc1ncnc2c1cccc2 62a_100000210312_100000217608 [0,0,0,0,0,2|1,0,1]=4 2514 B17R2.291558 CC(C)CCSc1ncnc2c1cccc2 62a_100000753007_100000210312 [0,0,0,0,0,2|1,0,1]=4 2515 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 207a_100000210953_100000210074 [0,0,0,0,0,2|2,0,0]=4 2516 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 2230a_100000210953_100011261445 [0,0,0,0,0,2|2,0,0]=4 2517 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 270004a_100000210953_100000210074 [0,0,0,0,0,2|2,0,0]=4 2518 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 270004a_100000753325_100000210432 [0,0,0,0,0,2|2,0,0]=4 2519 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 34a_100000210953_100011261445 [0,0,0,0,0,2|2,0,0]=4 2520 B17R2.291558 CC(C)CNCc1cccc2c1cccc2 34a_100000753325_100000210624 [0,0,0,0,0,2|2,0,0]=4 2521 B17R2.291558 CC(C)CNCc1ccnc2c1cccc2 2230a_100000210953_100015192512 [0,0,0,0,0,2|1,0,1]=4 2522 B17R2.291558 CC(C)CNCc1ccnc2c1cccc2 270004a_100015187208_100000210432 [0,0,0,0,0,2|1,0,1]=4 2523 B17R2.291558 CC(C)CNCc1ccnc2c1cccc2 34a_100000210953_100015192512 [0,0,0,0,0,2|1,0,1]=4 2524 B17R2.291558 CC(C)CNCc1cncc2c1cccc2 207a_100000210953_100000684730 [0,0,0,0,0,2|1,0,1]=4 2525 B17R2.291558 CC(C)CNCc1cncc2c1cccc2 270004a_100000210953_100000684730 [0,0,0,0,0,2|1,0,1]=4 2526 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 207a_100000210953_100011361464 [0,0,0,0,0,2|2,0,0]=4 2527 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 2230a_100000210953_100000033776 [0,0,0,0,0,2|2,0,0]=4 2528 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 270004a_100000210953_100011361464 [0,0,0,0,0,2|2,0,0]=4 2529 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 270004a_100000735229_100000210432 [0,0,0,0,0,2|2,0,0]=4 2530 B17R2.291558 CC(C)CNCc1nccc2c1cccc2 34a_100000210953_100000033776 [0,0,0,0,0,2|2,0,0]=4 2531 B17R2.291558 CC(C)COCc1cccc2c1cccc2 34a_100000210257_100011261445 [0,0,0,0,0,2|2,0,0]=4 2532 B17R2.291558 CC(C)COCc1cccc2c1cccc2 34a_100011216843_100000210624 [0,0,0,0,0,2|2,0,0]=4 2533 B17R2.291558 CC(C)COCc1cccc2c1cccc2 7a_100011216843_100000210760 [0,0,0,0,0,2|2,0,0]=4 2534 B17R2.291558 CC(C)COCc1ccnc2c1cccc2 34a_100000210257_100015192512 [0,0,0,0,0,2|1,0,1]=4 2535 B17R2.291558 CC(C)COCc1nccc2c1cccc2 34a_100000210257_100000033776 [0,0,0,0,0,2|2,0,0]=4 2536 B17R2.291558 CC(C)CSCc1cccc2c1cccc2 62a_100000210624_100000188474 [0,0,0,0,0,2|2,0,0]=4 2537 B17R2.291558 CC(C)CSCc1cccc2c1cccc2 62a_100011261445_100000210760 [0,0,0,0,0,2|2,0,0]=4 2538 B17R2.291558 CC(C)CSCc1ccnc2c1cccc2 62a_100000210624_100015192512 [0,0,0,0,0,2|1,0,1]=4 2539 B17R2.291558 CC(C)CSCc1ccnc2c1cccc2 62a_100015192512_100000210760 [0,0,0,0,0,2|1,0,1]=4 2540 B17R2.291558 CC(C)CSCc1nccc2c1cccc2 62a_100000033776_100000210760 [0,0,0,0,0,2|2,0,0]=4 2541 B17R2.291558 CC(C)CSCc1nccc2c1cccc2 62a_100000210624_100000033776 [0,0,0,0,0,2|2,0,0]=4 2542 B17R2.291558 CC(C)NCCc1cccc2c1cccc2 2230a_100000751862_100000210206 [0,0,0,0,0,2|2,0,0]=4 2543 B17R2.291558 CC(C)NCCc1cccc2c1cccc2 2230a_100138425928_100011290781 [0,0,0,0,0,2|2,0,0]=4 2544 B17R2.291558 CC(C)NCCc1cccc2c1cccc2 34a_100000751862_100000210206 [0,0,0,0,0,2|2,0,0]=4 2545 B17R2.291558 CC(C)NCCc1cccc2c1cccc2 34a_100138425928_100011290781 [0,0,0,0,0,2|2,0,0]=4 2546 B17R2.291558 CC(C)OCCc1cccc2c1cccc2 34a_100000212225_100011290781 [0,0,0,0,0,2|2,0,0]=4 2547 B17R2.291558 CC(C)OCCc1cccc2c1cccc2 34a_100011219628_100000210206 [0,0,0,0,0,2|2,0,0]=4 2548 B17R2.291558 CC(C)OCCc1cccc2c1cccc2 7a_100011219628_100000210206 [0,0,0,0,0,2|2,0,0]=4 2549 B17R2.291558 CC(C)SCCc1cccc2c1cccc2 62a_100000210206_100011290781 [0,0,0,0,0,2|2,0,0]=4 2550 B17R2.291558 CC(C)SCCc1cccc2c1cccc2 62a_100011290781_100000210206 [0,0,0,0,0,2|2,0,0]=4 2551 B17R2.291558 CN(C)CCNc1cccc2c1cccn2 27a_100000210585_100011290932 [0,0,0,0,0,2|2,0,0]=4 2552 B17R2.291558 CN(C)CCNc1ccnc2c1cccc2 27a_100000210585_100011215880 [0,0,0,0,0,2|0,0,1]=3 2553 B17R2.291558 CN(C)CCNc1ccnc2c1cccn2 27a_100000210585_100000087570 [0,0,0,0,0,2|1,0,1]=4 2554 B17R2.291558 CN(C)CCNc1ccnc2c1cncc2 27a_100000210585_100000095135 [0,0,0,0,0,2|1,0,1]=4 2555 B17R2.291558 CN(C)CCNc1cncc2c1cccn2 27a_100000210585_100010211308 [0,0,0,0,0,2|1,0,1]=4 2556 B17R2.291558 CN(C)CCNc1cnnc2c1cccc2 27a_100000210585_100000063506 [0,0,0,0,0,2|0,0,1]=3 2557 B17R2.291558 CN(C)CCNc1nccc2c1cccc2 27a_100000210585_100011934041 [0,0,0,0,0,2|1,0,0]=3 2558 B17R2.291558 CN(C)CCNc1nccc2c1cccn2 27a_100000210585_100000077681 [0,0,0,0,0,2|2,0,0]=4 2559 B17R2.291558 CN(C)CCNc1nccc2c1cncc2 27a_100000210585_100000116921 [0,0,0,0,0,2|2,0,0]=4 2560 B17R2.291558 CN(C)CCNc1nccc2c1nccc2 27a_100000210585_100010063729 [0,0,0,0,0,2|2,0,0]=4 2561 B17R2.291558 CN(C)CCNc1ncnc2c1cccc2 27a_100000210585_100000217608 [0,0,0,0,0,2|0,0,1]=3 2562 B17R2.291558 CN(C)CCNc1ncnc2c1cccn2 27a_100000210585_100000026734 [0,0,0,0,0,2|1,0,1]=4 2563 B17R2.291558 CN(C)CCNc1ncnc2c1ccnc2 27a_100000210585_100000098430 [0,0,0,0,0,2|1,0,1]=4 2564 B17R2.291558 CN(C)CCNc1ncnc2c1nccc2 27a_100000210585_100000063688 [0,0,0,0,0,2|1,0,1]=4 2565 B17R2.291558 CN(C)CCOc1cccc2c1cccc2 2230a_100102631434_100000745918 [0,0,0,0,0,2|1,0,0]=3 2566 B17R2.291558 CN(C)CCOc1cccc2c1cccc2 269982a_100102631434_100000745918 [0,0,0,0,0,2|1,0,0]=3 2567 B17R2.291558 CN(C)CCOc1cccc2c1cccc2 7a_100000210388_100000755713 [0,0,0,0,0,2|1,0,0]=3 2568 B17R2.291558 CN(C)CCOc1cncc2c1cccc2 7a_100000066178_100000755713 [0,0,0,0,0,2|0,0,1]=3 2569 B17R2.291558 CN(C)CCSc1cccc2c1cccn2 62a_100011290932_100000755713 [0,0,0,0,0,2|2,0,0]=4 2570 B17R2.291558 CN(C)CCSc1cccc2c1ccnc2 62a_100000186358_100000755713 [0,0,0,0,0,2|2,0,0]=4 2571 B17R2.291558 CN(C)CCSc1cccc2c1cncc2 62a_100000685578_100000755713 [0,0,0,0,0,2|2,0,0]=4 2572 B17R2.291558 CN(C)CCSc1ccnc2c1cccc2 62a_100011458314_100000755713 [0,0,0,0,0,2|0,0,1]=3 2573 B17R2.291558 CN(C)CCSc1ccnc2c1cccn2 62a_100000087570_100000755713 [0,0,0,0,0,2|1,0,1]=4 2574 B17R2.291558 CN(C)CCSc1ccnc2c1cncc2 62a_100000095135_100000755713 [0,0,0,0,0,2|1,0,1]=4 2575 B17R2.291558 CN(C)CCSc1cncc2c1cccc2 62a_100000187577_100000755713 [0,0,0,0,0,2|0,0,1]=3 2576 B17R2.291558 CN(C)CCSc1cncc2c1cccn2 62a_100010211308_100000755713 [0,0,0,0,0,2|1,0,1]=4 2577 B17R2.291558 CN(C)CCSc1cncc2c1ccnc2 62a_100010134378_100000755713 [0,0,0,0,0,2|1,0,1]=4 2578 B17R2.291558 CN(C)CCSc1nccc2c1cccc2 62a_100011934041_100000755713 [0,0,0,0,0,2|1,0,0]=3 2579 B17R2.291558 CN(C)CCSc1nccc2c1cncc2 62a_200010063730_100000755713 [0,0,0,0,0,2|2,0,0]=4 2580 B17R2.291558 CN(C)CCSc1ncnc2c1cccc2 62a_100000753007_100000755713 [0,0,0,0,0,2|0,0,1]=3 2581 B17R2.291558 CN(C)CCSc1ncnc2c1cccn2 62a_100000026734_100000755713 [0,0,0,0,0,2|1,0,1]=4