0 B16R2.36 C=C(C)CCOc1csc2c1cccc2 34a_100000077758_100000730704 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.36 C=C(C)CCOc1csc2c1cccc2 7a_100000077758_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.36 C=C(C)CCSc1c[nH]c2c1cccn2 62a_100000730704_100011934613 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.36 C=C(C)CCSc1c[nH]c2c1ccnc2 62a_100000730704_100010232032 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.36 C=C(C)CCSc1c[nH]c2c1cncc2 62a_100000730704_100000753697 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.36 C=C(C)CCSc1c[nH]c2c1nccc2 62a_100000730704_100009817151 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.36 C=C(C)CCSc1coc2c1cccc2 62a_100000730704_100009812202 [0,0,0,0,0,0|4,0,0]=4 7 B16R2.36 C=C(C)CCSc1csc2c1cccc2 62a_100000730704_100009813928 [0,0,0,0,0,0|4,0,0]=4 8 B16R2.36 C=C(C)CCSc1n[nH]c2c1cccc2 62a_100000730704_100000050141 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.36 C=C(C)CNCc1csc2c1cccc2 34a_100000744611_100000748629 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.36 C=C(C)COCc1csc2c1cccc2 34a_100000210245_200000742921 [0,0,0,0,0,0|4,0,0]=4 11 B16R2.36 C=C(C)COCc1csc2c1cccc2 34a_100011219454_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B16R2.36 C=C(C)CSCc1csc2c1cccc2 62a_100000748629_200000742921 [0,0,0,0,0,0|4,0,0]=4 13 B16R2.36 C=C(C)CSCc1csc2c1cccc2 62a_200000742921_100000211660 [0,0,0,0,0,0|4,0,0]=4 14 B16R2.36 C=C(F)CNCc1csc2c1cccc2 34a_100000744611_100009893438 [0,0,0,0,0,0|4,0,0]=4 15 B16R2.36 C=C(F)COCc1csc2c1cccc2 34a_100011219454_100009893438 [0,0,0,0,0,0|4,0,0]=4 16 B16R2.36 C=C(F)COCc1csc2c1cccc2 34a_200010262243_200000742921 [0,0,0,0,0,0|4,0,0]=4 17 B16R2.36 C=C(F)CSCc1csc2c1cccc2 62a_100000042424_200000742921 [0,0,0,0,0,0|4,0,0]=4 18 B16R2.36 C=C(F)CSCc1csc2c1cccc2 62a_200000742921_100000042424 [0,0,0,0,0,0|4,0,0]=4 19 B16R2.36 CC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200000210301 [0,0,0,0,0,0|1,0,0]=1 20 B16R2.36 CC(=O)CCCn1cnc2c1cccc2 1458a_100000740953_200000210301 [0,0,0,0,0,0|2,0,1]=3 21 B16R2.36 CC(=O)CCCn1nnc2c1cccc2 1458a_100011263408_200000210301 [0,0,0,0,0,0|3,0,1]=4 22 B16R2.36 CC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000053229 [0,0,0,0,0,0|3,0,0]=3 23 B16R2.36 CC(=O)CCSc1c[nH]c2c1cccn2 62a_100000053229_100011934613 [0,0,0,0,0,0|3,0,0]=3 24 B16R2.36 CC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000053229_100010232032 [0,0,0,0,0,0|3,0,0]=3 25 B16R2.36 CC(=O)CCSc1c[nH]c2c1cncc2 62a_100000053229_100000753697 [0,0,0,0,0,0|3,0,0]=3 26 B16R2.36 CC(=O)CCSc1c[nH]c2c1cncn2 62a_100000053229_100000072862 [0,0,0,0,0,0|4,0,0]=4 27 B16R2.36 CC(=O)CCSc1c[nH]c2c1cncn2 62a_100009817560_100000053229 [0,0,0,0,0,0|4,0,0]=4 28 B16R2.36 CC(=O)CCSc1c[nH]c2c1nccc2 62a_100000053229_100009817151 [0,0,0,0,0,0|3,0,0]=3 29 B16R2.36 CC(=O)CCSc1c[nH]c2c1nccn2 62a_100000053229_100009819587 [0,0,0,0,0,0|4,0,0]=4 30 B16R2.36 CC(=O)CCSc1cnc2n1cccc2 62a_100000053229_100011219245 [0,0,0,0,0,0|3,0,1]=4 31 B16R2.36 CC(=O)CCSc1cnn2c1cccc2 62a_100000053229_100009817726 [0,0,0,0,0,0|3,0,1]=4 32 B16R2.36 CC(=O)CCSc1coc2c1cccc2 62a_100000053229_100009812202 [0,0,0,0,0,0|3,0,0]=3 33 B16R2.36 CC(=O)CCSc1coc2c1nccc2 62a_100000053229_100009889148 [0,0,0,0,0,0|4,0,0]=4 34 B16R2.36 CC(=O)CCSc1csc2c1cccc2 62a_100000053229_100009813928 [0,0,0,0,0,0|3,0,0]=3 35 B16R2.36 CC(=O)CCSc1csc2c1cccn2 62a_100000053229_100009830249 [0,0,0,0,0,0|4,0,0]=4 36 B16R2.36 CC(=O)CCSc1csc2c1cccn2 62a_100009830249_100000053229 [0,0,0,0,0,0|4,0,0]=4 37 B16R2.36 CC(=O)CCSc1csc2c1ccnc2 62a_100000053229_100009817111 [0,0,0,0,0,0|4,0,0]=4 38 B16R2.36 CC(=O)CCSc1csc2c1ccnc2 62a_100009817111_100000053229 [0,0,0,0,0,0|4,0,0]=4 39 B16R2.36 CC(=O)CCSc1csc2c1cncc2 62a_100000053229_100010247091 [0,0,0,0,0,0|4,0,0]=4 40 B16R2.36 CC(=O)CCSc1csc2c1cncc2 62a_100010247091_100000053229 [0,0,0,0,0,0|4,0,0]=4 41 B16R2.36 CC(=O)CCSc1csc2c1nccc2 62a_100000053229_100010247092 [0,0,0,0,0,0|4,0,0]=4 42 B16R2.36 CC(=O)CCSc1n[nH]c2c1cccc2 62a_100000053229_100000050141 [0,0,0,0,0,0|3,0,0]=3 43 B16R2.36 CC(=O)CCSc1n[nH]c2c1cccn2 62a_100000053229_100009888962 [0,0,0,0,0,0|4,0,0]=4 44 B16R2.36 CC(=O)CCSc1n[nH]c2c1ccnc2 62a_100000053229_100010244369 [0,0,0,0,0,0|4,0,0]=4 45 B16R2.36 CC(=O)CCSc1n[nH]c2c1cncc2 62a_100000053229_100009820117 [0,0,0,0,0,0|4,0,0]=4 46 B16R2.36 CC(=O)CCSc1n[nH]c2c1nccc2 62a_100000053229_100009817118 [0,0,0,0,0,0|4,0,0]=4 47 B16R2.36 CC(=O)CCSc1noc2c1cccc2 62a_100000053229_200000703156 [0,0,0,0,0,0|4,0,0]=4 48 B16R2.36 CC(=O)CCSc1noc2c1cccc2 62a_200000703156_100000053229 [0,0,0,0,0,0|4,0,0]=4 49 B16R2.36 CC(=O)COCc1csc2c1cccc2 34a_100000211253_200000742921 [0,0,0,0,0,0|3,0,0]=3 50 B16R2.36 CC(=O)COCc1noc2c1cccc2 34a_100000211253_100009813815 [0,0,0,0,0,0|4,0,0]=4 51 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100015343762 [0,0,0,0,0,0|2,0,0]=2 52 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100103153847 [0,0,0,0,0,0|2,0,0]=2 53 B16R2.36 CC(=O)NCCc1coc2c1cccc2 11a_100011934666_100015343762 [0,0,0,0,0,0|3,0,0]=3 54 B16R2.36 CC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100015343762 [0,0,0,0,0,0|3,0,0]=3 55 B16R2.36 CC(=O)NCCc1coc2c1cccc2 240690a_100011934666_100015343762 [0,0,0,0,0,0|3,0,0]=3 56 B16R2.36 CC(=O)NCCc1coc2c1cccc2 527a_100011934666_100103153847 [0,0,0,0,0,0|3,0,0]=3 57 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 11a_100000746447_100015343762 [0,0,0,0,0,0|3,0,1]=4 58 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 1626a_100000746447_100015343762 [0,0,0,0,0,0|3,0,1]=4 59 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 240690a_100000746447_100015343762 [0,0,0,0,0,0|3,0,1]=4 60 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 527a_100000746447_100103153847 [0,0,0,0,0,0|3,0,1]=4 61 B16R2.36 CC(=O)NN=Cc1c[nH]c2c1cccc2 4a_100000189765_100000182151 [0,0,0,0,0,0|3,0,1]=4 62 B16R2.36 CC(=O)OCOc1csc2c1cccc2 34a_100000077758_100009813279 [0,0,0,0,0,0|4,0,0]=4 63 B16R2.36 CC(=O)OCSc1c[nH]c2c1cccn2 62a_100000076356_100011934613 [0,0,0,0,0,0|4,0,0]=4 64 B16R2.36 CC(=O)OCSc1c[nH]c2c1ccnc2 62a_100000076356_100010232032 [0,0,0,0,0,0|4,0,0]=4 65 B16R2.36 CC(=O)OCSc1c[nH]c2c1cncc2 62a_100000076356_100000753697 [0,0,0,0,0,0|4,0,0]=4 66 B16R2.36 CC(=O)OCSc1c[nH]c2c1nccc2 62a_100000076356_100009817151 [0,0,0,0,0,0|4,0,0]=4 67 B16R2.36 CC(=O)OCSc1coc2c1cccc2 62a_100000076356_100009812202 [0,0,0,0,0,0|4,0,0]=4 68 B16R2.36 CC(=O)OCSc1csc2c1cccc2 62a_100000076356_100009813928 [0,0,0,0,0,0|4,0,0]=4 69 B16R2.36 CC(=O)OCSc1n[nH]c2c1cccc2 62a_100000076356_100000050141 [0,0,0,0,0,0|4,0,0]=4 70 B16R2.36 CC(C)CNCc1c[nH]c2c1cccc2 270004a_100015202335_100000210432 [0,0,0,0,0,0|3,0,1]=4 71 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210206 [0,0,0,0,0,0|3,0,1]=4 72 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100138425928_100011218569 [0,0,0,0,0,0|3,0,1]=4 73 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 34a_100138425928_100011218569 [0,0,0,0,0,0|3,0,1]=4 74 B16R2.36 CC(C)OCCc1c[nH]c2c1cccc2 34a_100000212225_100011218569 [0,0,0,0,0,0|3,0,1]=4 75 B16R2.36 CC(C)OCCc1c[nH]c2c1cccc2 34a_100000752351_100000210206 [0,0,0,0,0,0|3,0,1]=4 76 B16R2.36 CC(C)SCCc1c[nH]c2c1cccc2 62a_100000210206_100011218569 [0,0,0,0,0,0|3,0,1]=4 77 B16R2.36 CC(O)CCOc1csc2c1cccc2 34a_100000077758_100012276601 [0,0,0,0,0,0|3,0,1]=4 78 B16R2.36 CC(O)CCOc1csc2c1cccc2 7a_100000077758_100012276601 [0,0,0,0,0,0|3,0,1]=4 79 B16R2.36 CC(O)CCSc1c[nH]c2c1cccn2 62a_100012276601_100011934613 [0,0,0,0,0,0|3,0,1]=4 80 B16R2.36 CC(O)CCSc1c[nH]c2c1ccnc2 62a_100012276601_100010232032 [0,0,0,0,0,0|3,0,1]=4 81 B16R2.36 CC(O)CCSc1c[nH]c2c1cncc2 62a_100012276601_100000753697 [0,0,0,0,0,0|3,0,1]=4 82 B16R2.36 CC(O)CCSc1c[nH]c2c1nccc2 62a_100012276601_100009817151 [0,0,0,0,0,0|3,0,1]=4 83 B16R2.36 CC(O)CCSc1coc2c1cccc2 62a_100012276601_100009812202 [0,0,0,0,0,0|3,0,1]=4 84 B16R2.36 CC(O)CCSc1csc2c1cccc2 62a_100012276601_100009813928 [0,0,0,0,0,0|3,0,1]=4 85 B16R2.36 CC(O)CCSc1n[nH]c2c1cccc2 62a_100012276601_100000050141 [0,0,0,0,0,0|3,0,1]=4 86 B16R2.36 CC(O)CNCc1c[nH]c2c1ccnc2 270004a_100000210904_100000087688 [0,0,0,0,0,0|3,0,1]=4 87 B16R2.36 CC(O)CNCc1coc2c1cccc2 207a_100000210904_100000688544 [0,0,0,0,0,0|3,0,1]=4 88 B16R2.36 CC(O)CNCc1coc2c1cccc2 270004a_100000210904_100000688544 [0,0,0,0,0,0|3,0,1]=4 89 B16R2.36 CC(O)CNCc1csc2c1cccc2 207a_100000210904_100000239721 [0,0,0,0,0,0|3,0,1]=4 90 B16R2.36 CC(O)CNCc1csc2c1cccc2 2230a_100000210904_200000742921 [0,0,0,0,0,0|3,0,1]=4 91 B16R2.36 CC(O)CNCc1csc2c1cccc2 270004a_100000210904_100000239721 [0,0,0,0,0,0|3,0,1]=4 92 B16R2.36 CC(O)CNCc1csc2c1cccc2 34a_100000210904_200000742921 [0,0,0,0,0,0|3,0,1]=4 93 B16R2.36 CC(O)CNCc1csc2c1cccc2 34a_100000744611_100011218427 [0,0,0,0,0,0|3,0,1]=4 94 B16R2.36 CC(O)CNCc1n[nH]c2c1cccc2 207a_100000210904_100000059708 [0,0,0,0,0,0|3,0,1]=4 95 B16R2.36 CC(O)CNCc1n[nH]c2c1cccc2 270004a_100000210904_100000059708 [0,0,0,0,0,0|3,0,1]=4 96 B16R2.36 CC(O)COCc1csc2c1cccc2 34a_100011219454_100011218427 [0,0,0,0,0,0|3,0,1]=4 97 B16R2.36 CC(O)CSCc1csc2c1cccc2 62a_100011218427_200000742921 [0,0,0,0,0,0|3,0,1]=4 98 B16R2.36 CC(O)CSCc1csc2c1cccc2 62a_200000742921_100011218427 [0,0,0,0,0,0|3,0,1]=4 99 B16R2.36 C[C@@H](O)CNCc1csc2c1cccc2 34a_100000744611_100009817552 [0,0,0,0,0,0|3,0,1]=4 100 B16R2.36 C[C@@H](O)COCc1csc2c1cccc2 34a_100011219454_100009817552 [0,0,0,0,0,0|3,0,1]=4 101 B16R2.36 C[C@@H](O)CSCc1csc2c1cccc2 62a_100009817552_200000742921 [0,0,0,0,0,0|3,0,1]=4 102 B16R2.36 C[C@@H](O)CSCc1csc2c1cccc2 62a_200000742921_100009817552 [0,0,0,0,0,0|3,0,1]=4 103 B16R2.36 NC(=O)CCNc1n[nH]c2c1cccn2 27a_100000740010_100009818534 [0,0,0,0,0,0|4,0,0]=4 104 B16R2.36 NC(=O)CCNc1n[nH]c2c1cncc2 27a_100000740010_100009820117 [0,0,0,0,0,0|4,0,0]=4 105 B16R2.36 NC(=O)CCNc1n[nH]c2c1nccc2 27a_100000740010_100009817118 [0,0,0,0,0,0|4,0,0]=4 106 B16R2.36 NC(=O)CCOc1csc2c1cccc2 34a_100000077758_100000731001 [0,0,0,0,0,0|3,0,0]=3 107 B16R2.36 NC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000744528 [0,0,0,0,0,0|3,0,0]=3 108 B16R2.36 NC(=O)CCSc1c[nH]c2c1cccn2 62a_100000744528_100011934613 [0,0,0,0,0,0|3,0,0]=3 109 B16R2.36 NC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000744528_100010232032 [0,0,0,0,0,0|3,0,0]=3 110 B16R2.36 NC(=O)CCSc1c[nH]c2c1cncc2 62a_100000744528_100000753697 [0,0,0,0,0,0|3,0,0]=3 111 B16R2.36 NC(=O)CCSc1c[nH]c2c1cncn2 62a_100000744528_100000072862 [0,0,0,0,0,0|4,0,0]=4 112 B16R2.36 NC(=O)CCSc1c[nH]c2c1cncn2 62a_100009817560_100000744528 [0,0,0,0,0,0|4,0,0]=4 113 B16R2.36 NC(=O)CCSc1c[nH]c2c1nccc2 62a_100000744528_100009817151 [0,0,0,0,0,0|3,0,0]=3 114 B16R2.36 NC(=O)CCSc1c[nH]c2c1nccn2 62a_100000744528_100009819587 [0,0,0,0,0,0|4,0,0]=4 115 B16R2.36 NC(=O)CCSc1cnc2n1cccc2 62a_100000744528_100011219245 [0,0,0,0,0,0|3,0,1]=4 116 B16R2.36 NC(=O)CCSc1cnn2c1cccc2 62a_100000744528_100009817726 [0,0,0,0,0,0|3,0,1]=4 117 B16R2.36 NC(=O)CCSc1coc2c1cccc2 62a_100000744528_100009812202 [0,0,0,0,0,0|3,0,0]=3 118 B16R2.36 NC(=O)CCSc1coc2c1nccc2 62a_100000744528_100009889148 [0,0,0,0,0,0|4,0,0]=4 119 B16R2.36 NC(=O)CCSc1csc2c1cccc2 62a_100000744528_100009813928 [0,0,0,0,0,0|3,0,0]=3 120 B16R2.36 NC(=O)CCSc1csc2c1cccn2 62a_100000744528_100009830249 [0,0,0,0,0,0|4,0,0]=4 121 B16R2.36 NC(=O)CCSc1csc2c1cccn2 62a_100009830249_100000744528 [0,0,0,0,0,0|4,0,0]=4 122 B16R2.36 NC(=O)CCSc1csc2c1ccnc2 62a_100000744528_100009817111 [0,0,0,0,0,0|4,0,0]=4 123 B16R2.36 NC(=O)CCSc1csc2c1ccnc2 62a_100009817111_100000744528 [0,0,0,0,0,0|4,0,0]=4 124 B16R2.36 NC(=O)CCSc1csc2c1cncc2 62a_100000744528_100010247091 [0,0,0,0,0,0|4,0,0]=4 125 B16R2.36 NC(=O)CCSc1csc2c1cncc2 62a_100010247091_100000744528 [0,0,0,0,0,0|4,0,0]=4 126 B16R2.36 NC(=O)CCSc1csc2c1nccc2 62a_100000744528_100010247092 [0,0,0,0,0,0|4,0,0]=4 127 B16R2.36 NC(=O)CCSc1n[nH]c2c1cccc2 62a_100000744528_100000050141 [0,0,0,0,0,0|3,0,0]=3 128 B16R2.36 NC(=O)CCSc1n[nH]c2c1cccn2 62a_100000744528_100009888962 [0,0,0,0,0,0|4,0,0]=4 129 B16R2.36 NC(=O)CCSc1n[nH]c2c1ccnc2 62a_100000744528_100010244369 [0,0,0,0,0,0|4,0,0]=4 130 B16R2.36 NC(=O)CCSc1n[nH]c2c1cncc2 62a_100000744528_100009820117 [0,0,0,0,0,0|4,0,0]=4 131 B16R2.36 NC(=O)CCSc1n[nH]c2c1nccc2 62a_100000744528_100009817118 [0,0,0,0,0,0|4,0,0]=4 132 B16R2.36 NC(=O)CCSc1noc2c1cccc2 62a_100000744528_200000703156 [0,0,0,0,0,0|4,0,0]=4 133 B16R2.36 NC(=O)CCSc1noc2c1cccc2 62a_200000703156_100000744528 [0,0,0,0,0,0|4,0,0]=4 134 B16R2.36 NC(=O)CNCc1cnc2n1cccc2 2230a_100015187830_100000747473 [0,0,0,0,0,0|3,0,1]=4 135 B16R2.36 NC(=O)CNCc1csc2c1cccc2 2230a_100000711301_200000742921 [0,0,0,0,0,0|3,0,0]=3 136 B16R2.36 NC(=O)CNCc1csc2c1cccc2 34a_100000744611_100000187820 [0,0,0,0,0,0|3,0,0]=3 137 B16R2.36 NC(=O)COCc1csc2c1cccc2 34a_100011219454_100000187820 [0,0,0,0,0,0|3,0,0]=3 138 B16R2.36 NC(=O)CSCc1csc2c1cccc2 62a_100000747473_200000742921 [0,0,0,0,0,0|3,0,0]=3 139 B16R2.36 NC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000747473 [0,0,0,0,0,0|3,0,0]=3 140 B16R2.36 NC(=O)CSCc1noc2c1cccc2 62a_100000747473_100009813815 [0,0,0,0,0,0|4,0,0]=4 141 B16R2.36 NC(=O)CSCc1noc2c1cccc2 62a_100009813815_100000747473 [0,0,0,0,0,0|4,0,0]=4 142 B16R2.36 O=C(O)CNCc1csc2c1cccc2 269956a_100016091260_200000742921 [0,0,0,0,0,0|2,0,0]=2 143 B16R2.36 O=C(O)CNCc1nnc2n1cccc2 269956a_100016091260_100000037651 [0,0,0,0,0,0|3,0,1]=4 144 B16R2.36 O=C(O)CNCc1noc2c1cccc2 269956a_100016091260_100009813815 [0,0,0,0,0,0|3,0,0]=3 145 B16R2.36 O=C([O-])CNCc1csc2c1cccc2 34a_100000744611_100020667443 [0,0,0,0,0,0|2,0,1]=3 146 B16R2.36 O=C([O-])COCc1csc2c1cccc2 34a_100011219454_100020667443 [0,0,0,0,0,0|2,0,1]=3 147 B16R2.36 O=C([O-])CSCc1csc2c1cccc2 62a_100020667443_200000742921 [0,0,0,0,0,0|2,0,1]=3 148 B16R2.36 O=C([O-])CSCc1csc2c1cccc2 62a_200000742921_100020667443 [0,0,0,0,0,0|2,0,1]=3 149 B16R2.36 O=C([O-])CSCc1noc2c1cccc2 62a_100009813815_100020667443 [0,0,0,0,0,0|3,0,1]=4 150 B16R2.36 O=C([O-])CSCc1noc2c1cccc2 62a_100020667443_100009813815 [0,0,0,0,0,0|3,0,1]=4 151 B16R2.36 O=[N+]([O-])CNCc1csc2c1cccc2 34a_100000744611_100000761209 [0,0,0,0,0,0|3,0,1]=4 152 B16R2.36 O=[N+]([O-])COCc1csc2c1cccc2 34a_100011219454_100000761209 [0,0,0,0,0,0|3,0,1]=4 153 B16R2.36 O=[N+]([O-])CSCc1csc2c1cccc2 62a_200000742921_100000761209 [0,0,0,0,0,0|3,0,1]=4 154 B16R2.36 [13CH3]C(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200025704644 [0,0,0,0,0,0|1,0,0]=1 155 B16R2.36 [13CH3]C(=O)CCCn1cnc2c1cccc2 1458a_100000740953_200025704644 [0,0,0,0,0,0|2,0,1]=3 156 B16R2.36 [13CH3]C(=O)CCCn1nnc2c1cccc2 1458a_100011263408_200025704644 [0,0,0,0,0,0|3,0,1]=4 157 B15R2.5 C=CCCOc1csc2c1cccc2 34a_100000077758_100000754431 [1,0,0,0,0,0|3,0,0]=4 158 B15R2.5 C=CCCOc1csc2c1cccc2 7a_100000077758_100000754431 [1,0,0,0,0,0|3,0,0]=4 159 B15R2.5 C=CCCSc1c[nH]c2c1cccn2 62a_100000754431_100011934613 [1,0,0,0,0,0|3,0,0]=4 160 B15R2.5 C=CCCSc1c[nH]c2c1ccnc2 62a_100000754431_100010232032 [1,0,0,0,0,0|3,0,0]=4 161 B15R2.5 C=CCCSc1c[nH]c2c1cncc2 62a_100000754431_100000753697 [1,0,0,0,0,0|3,0,0]=4 162 B15R2.5 C=CCCSc1c[nH]c2c1nccc2 62a_100000754431_100009817151 [1,0,0,0,0,0|3,0,0]=4 163 B15R2.5 C=CCCSc1coc2c1cccc2 62a_100000754431_100009812202 [1,0,0,0,0,0|3,0,0]=4 164 B15R2.5 C=CCCSc1csc2c1cccc2 62a_100000754431_100009813928 [1,0,0,0,0,0|3,0,0]=4 165 B15R2.5 C=CCCSc1n[nH]c2c1cccc2 62a_100000754431_100000050141 [1,0,0,0,0,0|3,0,0]=4 166 B15R2.5 C=CCNCc1c[nH]c2c1ccnc2 270004a_100020586998_100000087688 [1,0,0,0,0,0|3,0,0]=4 167 B15R2.5 C=CCNCc1coc2c1cccc2 270004a_100020586998_100000688544 [1,0,0,0,0,0|3,0,0]=4 168 B15R2.5 C=CCNCc1csc2c1cccc2 2230a_100020586998_200000742921 [1,0,0,0,0,0|3,0,0]=4 169 B15R2.5 C=CCNCc1csc2c1cccc2 270004a_100020586998_100000239721 [1,0,0,0,0,0|3,0,0]=4 170 B15R2.5 C=CCNCc1csc2c1cccc2 34a_100000744611_100015514636 [1,0,0,0,0,0|3,0,0]=4 171 B15R2.5 C=CCNCc1n[nH]c2c1cccc2 270004a_100020586998_100000059708 [1,0,0,0,0,0|3,0,0]=4 172 B15R2.5 C=CCOCc1csc2c1cccc2 34a_100011219454_100015514636 [1,0,0,0,0,0|3,0,0]=4 173 B15R2.5 C=CCOCc1csc2c1cccc2 34a_200000210373_200000742921 [1,0,0,0,0,0|3,0,0]=4 174 B15R2.5 C=CCSCc1csc2c1cccc2 62a_100000210623_200000742921 [1,0,0,0,0,0|3,0,0]=4 175 B15R2.5 C=CCSCc1csc2c1cccc2 62a_200000742921_100000210623 [1,0,0,0,0,0|3,0,0]=4 176 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210202 [1,0,0,0,0,0|2,0,1]=4 177 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100015525214_100011218569 [1,0,0,0,0,0|2,0,1]=4 178 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000210202 [1,0,0,0,0,0|2,0,1]=4 179 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100121572206_100011218569 [1,0,0,0,0,0|2,0,1]=4 180 B15R2.5 CCSCCc1c[nH]c2c1cccc2 62a_100000210202_100011218569 [1,0,0,0,0,0|2,0,1]=4 181 B15R2.5 COCCCc1c[nH]c2c1cccc2 34a_100102524900_200000210301 [1,0,0,0,0,0|2,0,0]=3 182 B15R2.5 FCOCCc1c[nH]c2c1cccc2 34a_100000752351_100015361967 [1,0,0,0,0,0|2,0,1]=4 183 B15R2.5 FCSCCc1c[nH]c2c1cccc2 62a_100015361967_100011218569 [1,0,0,0,0,0|2,0,1]=4 184 B15R2.5 O=CCNCc1cnc2n1cccc2 2230a_100015187830_200015260668 [1,0,0,0,0,0|2,0,1]=4 185 B15R2.5 O=CCNCc1csc2c1cccc2 34a_100000744611_200009817547 [1,0,0,0,0,0|2,0,0]=3 186 B15R2.5 O=CCOCc1csc2c1cccc2 34a_100011219454_200009817547 [1,0,0,0,0,0|2,0,0]=3 187 B15R2.5 O=CCSCc1csc2c1cccc2 62a_200000742921_200015260668 [1,0,0,0,0,0|2,0,0]=3 188 B15R2.5 O=CCSCc1csc2c1cccc2 62a_200015260668_200000742921 [1,0,0,0,0,0|2,0,0]=3 189 B15R2.5 O=CCSCc1noc2c1cccc2 62a_100009813815_200015260668 [1,0,0,0,0,0|3,0,0]=4 190 B15R2.5 O=CCSCc1noc2c1cccc2 62a_200015260668_100009813815 [1,0,0,0,0,0|3,0,0]=4 191 B15R2.5 OCCCOc1csc2c1cccc2 34a_100000077758_100000230001 [1,0,0,0,0,0|2,0,1]=4 192 B15R2.5 OCCCOc1csc2c1cccc2 7a_100000077758_100011215043 [1,0,0,0,0,0|2,0,1]=4 193 B15R2.5 OCCCSc1c[nH]c2c1cccn2 62a_100011215043_100011934613 [1,0,0,0,0,0|2,0,1]=4 194 B15R2.5 OCCCSc1c[nH]c2c1ccnc2 62a_100011215043_100010232032 [1,0,0,0,0,0|2,0,1]=4 195 B15R2.5 OCCCSc1c[nH]c2c1cncc2 62a_100011215043_100000753697 [1,0,0,0,0,0|2,0,1]=4 196 B15R2.5 OCCCSc1c[nH]c2c1nccc2 62a_100011215043_100009817151 [1,0,0,0,0,0|2,0,1]=4 197 B15R2.5 OCCCSc1coc2c1cccc2 62a_100011215043_100009812202 [1,0,0,0,0,0|2,0,1]=4 198 B15R2.5 OCCCSc1csc2c1cccc2 62a_100011215043_100009813928 [1,0,0,0,0,0|2,0,1]=4 199 B15R2.5 OCCCSc1n[nH]c2c1cccc2 62a_100011215043_100000050141 [1,0,0,0,0,0|2,0,1]=4 200 B15R2.5 OCCNCc1c[nH]c2c1ccnc2 270004a_100000210304_100000087688 [1,0,0,0,0,0|2,0,1]=4 201 B15R2.5 OCCNCc1coc2c1cccc2 207a_100000210304_100000688544 [1,0,0,0,0,0|2,0,1]=4 202 B15R2.5 OCCNCc1coc2c1cccc2 270004a_100000210304_100000688544 [1,0,0,0,0,0|2,0,1]=4 203 B15R2.5 OCCNCc1csc2c1cccc2 207a_100000210304_100000239721 [1,0,0,0,0,0|2,0,1]=4 204 B15R2.5 OCCNCc1csc2c1cccc2 2230a_100016997473_200000742921 [1,0,0,0,0,0|2,0,1]=4 205 B15R2.5 OCCNCc1csc2c1cccc2 270004a_100000210304_100000239721 [1,0,0,0,0,0|2,0,1]=4 206 B15R2.5 OCCNCc1csc2c1cccc2 34a_100000744611_100000211926 [1,0,0,0,0,0|2,0,1]=4 207 B15R2.5 OCCNCc1csc2c1cccc2 34a_100016990907_200000742921 [1,0,0,0,0,0|2,0,1]=4 208 B15R2.5 OCCNCc1n[nH]c2c1cccc2 207a_100000210304_100000059708 [1,0,0,0,0,0|2,0,1]=4 209 B15R2.5 OCCNCc1n[nH]c2c1cccc2 270004a_100000210304_100000059708 [1,0,0,0,0,0|2,0,1]=4 210 B15R2.5 OCCOCc1csc2c1cccc2 34a_100011219454_100000211926 [1,0,0,0,0,0|2,0,1]=4 211 B15R2.5 OCCSCc1csc2c1cccc2 62a_100000211926_200000742921 [1,0,0,0,0,0|2,0,1]=4 212 B15R2.5 OCCSCc1csc2c1cccc2 62a_200000742921_100000211926 [1,0,0,0,0,0|2,0,1]=4 213 B15R2.5 [13CH3]OCCCc1c[nH]c2c1cccc2 34a_100102524900_200025704644 [1,0,0,0,0,0|2,0,0]=3 214 B17R2.4 C=CC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_200121576911 [0,1,0,0,0,0|2,0,0]=3 215 B17R2.4 C=CC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100000185746 [0,1,0,0,0,0|3,0,0]=4 216 B17R2.4 C=CC(=O)NCCc1coc2c1cccc2 240690a_100011934666_200121576911 [0,1,0,0,0,0|3,0,0]=4 217 B17R2.4 CC(CO)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100012180447 [0,1,0,0,0,0|2,0,1]=4 218 B17R2.4 CC(CO)OCCc1c[nH]c2c1cccc2 34a_100000752351_100012180447 [0,1,0,0,0,0|2,0,1]=4 219 B17R2.4 CC(CO)SCCc1c[nH]c2c1cccc2 62a_100012180447_100011218569 [0,1,0,0,0,0|2,0,1]=4 220 B17R2.4 CCC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100000210202 [0,1,0,0,0,0|1,0,0]=2 221 B17R2.4 CCC(=O)CCCn1cnc2c1cccc2 1458a_100000740953_100000210202 [0,1,0,0,0,0|2,0,1]=4 222 B17R2.4 CCC(=O)COCc1csc2c1cccc2 34a_100000725409_200000742921 [0,1,0,0,0,0|3,0,0]=4 223 B17R2.4 CCC(=O)CSCc1csc2c1cccc2 62a_100000747405_200000742921 [0,1,0,0,0,0|3,0,0]=4 224 B17R2.4 CCC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000747405 [0,1,0,0,0,0|3,0,0]=4 225 B17R2.4 CCC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000210414 [0,1,0,0,0,0|2,0,0]=3 226 B17R2.4 CCC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000210414 [0,1,0,0,0,0|2,0,0]=3 227 B17R2.4 CCC(=O)NCCc1coc2c1cccc2 11a_100011934666_100000210414 [0,1,0,0,0,0|3,0,0]=4 228 B17R2.4 CCC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100000210414 [0,1,0,0,0,0|3,0,0]=4 229 B17R2.4 CCC(=O)NCCc1coc2c1cccc2 240690a_100011934666_100000210414 [0,1,0,0,0,0|3,0,0]=4 230 B17R2.4 CCC(=O)NCCc1coc2c1cccc2 527a_100011934666_100000210414 [0,1,0,0,0,0|3,0,0]=4 231 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 11a_106832991635_100000181718 [0,1,0,0,0,0|1,0,0]=2 232 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 1626a_100102657272_100000181718 [0,1,0,0,0,0|1,0,0]=2 233 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 240690a_100102657272_100000181718 [0,1,0,0,0,0|1,0,0]=2 234 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 527a_100102657272_100000181718 [0,1,0,0,0,0|1,0,0]=2 235 B17R2.4 CNC(=O)CCCn1cnc2c1cccc2 11a_106832991635_100000740953 [0,1,0,0,0,0|2,0,1]=4 236 B17R2.4 CNC(=O)CCCn1cnc2c1cccc2 1626a_100102657272_100000740953 [0,1,0,0,0,0|2,0,1]=4 237 B17R2.4 CNC(=O)CCCn1cnc2c1cccc2 240690a_100102657272_100000740953 [0,1,0,0,0,0|2,0,1]=4 238 B17R2.4 CNC(=O)CCCn1cnc2c1cccc2 527a_100102657272_100000740953 [0,1,0,0,0,0|2,0,1]=4 239 B17R2.4 CNC(=O)CCOc1csc2c1cccc2 34a_100000077758_100012179268 [0,1,0,0,0,0|3,0,0]=4 240 B17R2.4 CNC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000737683 [0,1,0,0,0,0|3,0,0]=4 241 B17R2.4 CNC(=O)CCSc1c[nH]c2c1cccn2 62a_100000737683_100011934613 [0,1,0,0,0,0|3,0,0]=4 242 B17R2.4 CNC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000737683_100010232032 [0,1,0,0,0,0|3,0,0]=4 243 B17R2.4 CNC(=O)CCSc1c[nH]c2c1cncc2 62a_100000737683_100000753697 [0,1,0,0,0,0|3,0,0]=4 244 B17R2.4 CNC(=O)CCSc1c[nH]c2c1nccc2 62a_100000737683_100009817151 [0,1,0,0,0,0|3,0,0]=4 245 B17R2.4 CNC(=O)CCSc1coc2c1cccc2 62a_100000737683_100009812202 [0,1,0,0,0,0|3,0,0]=4 246 B17R2.4 CNC(=O)CCSc1csc2c1cccc2 62a_100000737683_100009813928 [0,1,0,0,0,0|3,0,0]=4 247 B17R2.4 CNC(=O)CCSc1n[nH]c2c1cccc2 62a_100000737683_100000050141 [0,1,0,0,0,0|3,0,0]=4 248 B17R2.4 CNC(=O)CNCc1c[nH]c2c1ccnc2 270004a_100000693194_100000087688 [0,1,0,0,0,0|3,0,0]=4 249 B17R2.4 CNC(=O)CNCc1coc2c1cccc2 207a_100000693194_100000688544 [0,1,0,0,0,0|3,0,0]=4 250 B17R2.4 CNC(=O)CNCc1coc2c1cccc2 270004a_100000693194_100000688544 [0,1,0,0,0,0|3,0,0]=4 251 B17R2.4 CNC(=O)CNCc1csc2c1cccc2 207a_100000693194_100000239721 [0,1,0,0,0,0|3,0,0]=4 252 B17R2.4 CNC(=O)CNCc1csc2c1cccc2 2230a_100000693194_200000742921 [0,1,0,0,0,0|3,0,0]=4 253 B17R2.4 CNC(=O)CNCc1csc2c1cccc2 270004a_100000693194_100000239721 [0,1,0,0,0,0|3,0,0]=4 254 B17R2.4 CNC(=O)CNCc1csc2c1cccc2 34a_100000744611_100000183359 [0,1,0,0,0,0|3,0,0]=4 255 B17R2.4 CNC(=O)CNCc1n[nH]c2c1cccc2 207a_100000693194_100000059708 [0,1,0,0,0,0|3,0,0]=4 256 B17R2.4 CNC(=O)CNCc1n[nH]c2c1cccc2 270004a_100000693194_100000059708 [0,1,0,0,0,0|3,0,0]=4 257 B17R2.4 CNC(=O)COCc1csc2c1cccc2 34a_100000750040_200000742921 [0,1,0,0,0,0|3,0,0]=4 258 B17R2.4 CNC(=O)COCc1csc2c1cccc2 34a_100011219454_100000183359 [0,1,0,0,0,0|3,0,0]=4 259 B17R2.4 CNC(=O)CSCc1csc2c1cccc2 62a_100000183359_200000742921 [0,1,0,0,0,0|3,0,0]=4 260 B17R2.4 CNC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000183359 [0,1,0,0,0,0|3,0,0]=4 261 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 2708a_100000211132_106832991635 [0,1,0,0,0,0|2,0,0]=3 262 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 2708a_100102657272_100000211132 [0,1,0,0,0,0|2,0,0]=3 263 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 273464a_100000211132_100102657272 [0,1,0,0,0,0|2,0,0]=3 264 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 273464a_100102657272_100000211132 [0,1,0,0,0,0|2,0,0]=3 265 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 512a_106832991638_100000211132 [0,1,0,0,0,0|2,0,0]=3 266 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 2708a_100011934666_106832991635 [0,1,0,0,0,0|3,0,0]=4 267 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 2708a_100102657272_100011934666 [0,1,0,0,0,0|3,0,0]=4 268 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 273464a_100011934666_100102657272 [0,1,0,0,0,0|3,0,0]=4 269 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 273464a_100102657272_100011934666 [0,1,0,0,0,0|3,0,0]=4 270 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 512a_100011934666_100102657272 [0,1,0,0,0,0|3,0,0]=4 271 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 512a_106832991638_100011934666 [0,1,0,0,0,0|3,0,0]=4 272 B17R2.4 COC(=O)CCOc1csc2c1cccc2 34a_100000077758_100000742370 [0,1,0,0,0,0|2,0,0]=3 273 B17R2.4 COC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000204255 [0,1,0,0,0,0|2,0,0]=3 274 B17R2.4 COC(=O)CCSc1c[nH]c2c1cccn2 62a_100000204255_100011934613 [0,1,0,0,0,0|2,0,0]=3 275 B17R2.4 COC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000204255_100010232032 [0,1,0,0,0,0|2,0,0]=3 276 B17R2.4 COC(=O)CCSc1c[nH]c2c1cncc2 62a_100000204255_100000753697 [0,1,0,0,0,0|2,0,0]=3 277 B17R2.4 COC(=O)CCSc1c[nH]c2c1cncn2 62a_100000204255_100000072862 [0,1,0,0,0,0|3,0,0]=4 278 B17R2.4 COC(=O)CCSc1c[nH]c2c1cncn2 62a_100009817560_100000204255 [0,1,0,0,0,0|3,0,0]=4 279 B17R2.4 COC(=O)CCSc1c[nH]c2c1nccc2 62a_100000204255_100009817151 [0,1,0,0,0,0|2,0,0]=3 280 B17R2.4 COC(=O)CCSc1c[nH]c2c1nccn2 62a_100000204255_100009819587 [0,1,0,0,0,0|3,0,0]=4 281 B17R2.4 COC(=O)CCSc1cnc2n1cccc2 62a_100000204255_100011219245 [0,1,0,0,0,0|2,0,1]=4 282 B17R2.4 COC(=O)CCSc1cnn2c1cccc2 62a_100000204255_100009817726 [0,1,0,0,0,0|2,0,1]=4 283 B17R2.4 COC(=O)CCSc1coc2c1cccc2 62a_100000204255_100009812202 [0,1,0,0,0,0|2,0,0]=3 284 B17R2.4 COC(=O)CCSc1coc2c1nccc2 62a_100000204255_100009889148 [0,1,0,0,0,0|3,0,0]=4 285 B17R2.4 COC(=O)CCSc1csc2c1cccc2 62a_100000204255_100009813928 [0,1,0,0,0,0|2,0,0]=3 286 B17R2.4 COC(=O)CCSc1csc2c1cccn2 62a_100000204255_100009830249 [0,1,0,0,0,0|3,0,0]=4 287 B17R2.4 COC(=O)CCSc1csc2c1cccn2 62a_100009830249_100000204255 [0,1,0,0,0,0|3,0,0]=4 288 B17R2.4 COC(=O)CCSc1csc2c1ccnc2 62a_100000204255_100009817111 [0,1,0,0,0,0|3,0,0]=4 289 B17R2.4 COC(=O)CCSc1csc2c1ccnc2 62a_100009817111_100000204255 [0,1,0,0,0,0|3,0,0]=4 290 B17R2.4 COC(=O)CCSc1csc2c1cncc2 62a_100000204255_100010247091 [0,1,0,0,0,0|3,0,0]=4 291 B17R2.4 COC(=O)CCSc1csc2c1cncc2 62a_100010247091_100000204255 [0,1,0,0,0,0|3,0,0]=4 292 B17R2.4 COC(=O)CCSc1csc2c1nccc2 62a_100000204255_100010247092 [0,1,0,0,0,0|3,0,0]=4 293 B17R2.4 COC(=O)CCSc1n[nH]c2c1cccc2 62a_100000204255_100000050141 [0,1,0,0,0,0|2,0,0]=3 294 B17R2.4 COC(=O)CCSc1n[nH]c2c1cccn2 62a_100000204255_100009888962 [0,1,0,0,0,0|3,0,0]=4 295 B17R2.4 COC(=O)CCSc1n[nH]c2c1ccnc2 62a_100000204255_100010244369 [0,1,0,0,0,0|3,0,0]=4 296 B17R2.4 COC(=O)CCSc1n[nH]c2c1cncc2 62a_100000204255_100009820117 [0,1,0,0,0,0|3,0,0]=4 297 B17R2.4 COC(=O)CCSc1n[nH]c2c1nccc2 62a_100000204255_100009817118 [0,1,0,0,0,0|3,0,0]=4 298 B17R2.4 COC(=O)CCSc1noc2c1cccc2 62a_100000204255_200000703156 [0,1,0,0,0,0|3,0,0]=4 299 B17R2.4 COC(=O)CCSc1noc2c1cccc2 62a_200000703156_100000204255 [0,1,0,0,0,0|3,0,0]=4 300 B17R2.4 COC(=O)CNCc1cnc2n1cccc2 2230a_100015187830_100000747449 [0,1,0,0,0,0|2,0,1]=4 301 B17R2.4 COC(=O)CNCc1csc2c1cccc2 34a_100000744611_100000747449 [0,1,0,0,0,0|2,0,0]=3 302 B17R2.4 COC(=O)COCc1csc2c1cccc2 34a_100011219454_100000747449 [0,1,0,0,0,0|2,0,0]=3 303 B17R2.4 COC(=O)CSCc1csc2c1cccc2 62a_100000747449_200000742921 [0,1,0,0,0,0|2,0,0]=3 304 B17R2.4 COC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000747449 [0,1,0,0,0,0|2,0,0]=3 305 B17R2.4 COC(=O)CSCc1noc2c1cccc2 62a_100000747449_100009813815 [0,1,0,0,0,0|3,0,0]=4 306 B17R2.4 COC(=O)CSCc1noc2c1cccc2 62a_100009813815_100000747449 [0,1,0,0,0,0|3,0,0]=4 307 B17R2.4 COC(C)SCCc1c[nH]c2c1cccc2 62a_100009879195_100011218569 [0,1,0,0,0,0|2,0,1]=4 308 B17R2.4 C[C@H](CO)NCCc1c[nH]c2c1cccc2 2230a_100000737577_100011218569 [0,1,0,0,0,0|2,0,1]=4 309 B17R2.4 C[C@H](CO)SCCc1c[nH]c2c1cccc2 62a_100016084084_100011218569 [0,1,0,0,0,0|2,0,1]=4 310 B17R2.4 O=C(CF)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100015361967 [0,1,0,0,0,0|1,0,0]=2 311 B17R2.4 O=C(CF)CCCn1cnc2c1cccc2 1458a_100000740953_100015361967 [0,1,0,0,0,0|2,0,1]=4 312 B17R2.4 O=C(CO)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000210174 [0,1,0,0,0,0|1,0,0]=2 313 B17R2.4 O=C(CO)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000210174 [0,1,0,0,0,0|1,0,0]=2 314 B17R2.4 O=C(CO)NCCc1coc2c1cccc2 240690a_100011934666_100000210174 [0,1,0,0,0,0|2,0,0]=3 315 B17R2.4 O=C(CO)NCCc1coc2c1cccc2 527a_100011934666_100000210174 [0,1,0,0,0,0|2,0,0]=3 316 B17R2.4 O=C(CO)NCCn1cnc2c1cccc2 240690a_100000746447_100000210174 [0,1,0,0,0,0|2,0,1]=4 317 B17R2.4 O=C(CO)NCCn1cnc2c1cccc2 527a_100000746447_100000210174 [0,1,0,0,0,0|2,0,1]=4 318 B17R2.16 C=C(C)C(=O)CCc1c[nH]c2c1cccc2 1458a_100000185857_100011218569 [0,1,0,0,0,0|2,0,1]=4 319 B17R2.16 CC(=O)C(C)OCc1csc2c1cccc2 34a_100000212229_200000742921 [0,1,0,0,0,0|3,0,0]=4 320 B17R2.16 CC(=O)C(C)SCc1csc2c1cccc2 62a_100009814033_200000742921 [0,1,0,0,0,0|3,0,0]=4 321 B17R2.16 CC(=O)C(C)SCc1csc2c1cccc2 62a_200000742921_100009814033 [0,1,0,0,0,0|3,0,0]=4 322 B17R2.16 CC(CCc1c[nH]c2c1cccc2)N(C)C 270004a_100102631434_100102524982 [0,1,0,0,0,0|3,0,0]=4 323 B17R2.16 CC(NCc1csc2c1cccc2)C(=O)N 34a_100000744611_100000702099 [0,1,0,0,0,0|3,0,0]=4 324 B17R2.16 CC(OCc1csc2c1cccc2)C(=O)N 34a_100011219454_100000702099 [0,1,0,0,0,0|3,0,0]=4 325 B17R2.16 CC(SCc1csc2c1cccc2)C(=O)N 62a_100000702099_200000742921 [0,1,0,0,0,0|3,0,0]=4 326 B17R2.16 CC(SCc1csc2c1cccc2)C(=O)N 62a_200000742921_100000702099 [0,1,0,0,0,0|3,0,0]=4 327 B17R2.16 C[C@@H](NCc1c[nH]c2c1ccnc2)C(=O)N 270004a_100000119354_100000087688 [0,1,0,0,0,0|3,0,0]=4 328 B17R2.16 C[C@@H](NCc1coc2c1cccc2)C(=O)N 270004a_100000119354_100000688544 [0,1,0,0,0,0|3,0,0]=4 329 B17R2.16 C[C@@H](NCc1csc2c1cccc2)C(=O)N 2230a_100000119354_200000742921 [0,1,0,0,0,0|3,0,0]=4 330 B17R2.16 C[C@@H](NCc1csc2c1cccc2)C(=O)N 270004a_100000119354_100000239721 [0,1,0,0,0,0|3,0,0]=4 331 B17R2.16 C[C@@H](NCc1csc2c1cccc2)C(=O)N 34a_100000119354_200000742921 [0,1,0,0,0,0|3,0,0]=4 332 B17R2.16 C[C@@H](NCc1n[nH]c2c1cccc2)C(=O)N 270004a_100000119354_100000059708 [0,1,0,0,0,0|3,0,0]=4 333 B17R2.16 C[C@@H](O)C(=O)CCc1c[nH]c2c1cccc2 1458a_100000717761_100011218569 [0,1,0,0,0,0|1,0,2]=4 334 B17R2.16 C[C@@H](OCc1csc2c1cccc2)C(=O)N 34a_100000731257_200000742921 [0,1,0,0,0,0|3,0,0]=4 335 B17R2.16 C[C@H](NCc1csc2c1cccc2)C(=O)O 269956a_100000743915_200000742921 [0,1,0,0,0,0|2,0,0]=3 336 B17R2.16 C[C@H](NCc1noc2c1cccc2)C(=O)O 269956a_100000743915_100009813815 [0,1,0,0,0,0|3,0,0]=4 337 B17R2.16 C[C@H](O)C(=O)CCc1c[nH]c2c1cccc2 1458a_217856618621_100011218569 [0,1,0,0,0,0|1,0,2]=4 338 B17R2.16 NC(=O)C(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100011215815 [0,1,0,0,0,0|2,0,1]=4 339 B17R2.16 NC(=O)C(F)NCc1csc2c1cccc2 34a_100000744611_100009813875 [0,1,0,0,0,0|3,0,0]=4 340 B17R2.16 NC(=O)C(F)OCc1csc2c1cccc2 34a_100011219454_100009813875 [0,1,0,0,0,0|3,0,0]=4 341 B17R2.16 NC(=O)C(F)SCc1csc2c1cccc2 62a_100009813875_200000742921 [0,1,0,0,0,0|3,0,0]=4 342 B17R2.16 NC(=O)C(F)SCc1csc2c1cccc2 62a_200000742921_100009813875 [0,1,0,0,0,0|3,0,0]=4 343 B17R2.16 O=C(CCc1c[nH]c2c1cccc2)C(O)O 1458a_100000233687_100011218569 [0,1,0,0,0,0|0,0,3]=4 344 B17R2.16 O=C([O-])C(F)NCc1csc2c1cccc2 34a_100000744611_100020610796 [0,1,0,0,0,0|2,0,1]=4 345 B17R2.16 O=C([O-])C(F)OCc1csc2c1cccc2 34a_100011219454_100020610796 [0,1,0,0,0,0|2,0,1]=4 346 B17R2.16 O=C([O-])C(F)SCc1csc2c1cccc2 62a_100020610796_200000742921 [0,1,0,0,0,0|2,0,1]=4 347 B17R2.16 O=C([O-])C(F)SCc1csc2c1cccc2 62a_200000742921_100020610796 [0,1,0,0,0,0|2,0,1]=4 348 B17R2.39 C=C(C)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000748629 [0,1,0,0,0,0|2,0,1]=4 349 B17R2.39 C=C(F)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100009893438 [0,1,0,0,0,0|2,0,1]=4 350 B17R2.39 CC(O)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100011218427 [0,1,0,0,0,0|1,0,2]=4 351 B17R2.39 CN(CC(=O)N)Cc1c[nH]c2c1ccnc2 270004a_100000739694_100000087688 [0,1,0,0,0,0|3,0,0]=4 352 B17R2.39 CN(CC(=O)N)Cc1coc2c1cccc2 270004a_100000739694_100000688544 [0,1,0,0,0,0|3,0,0]=4 353 B17R2.39 CN(CC(=O)N)Cc1csc2c1cccc2 2230a_100000739694_200000742921 [0,1,0,0,0,0|3,0,0]=4 354 B17R2.39 CN(CC(=O)N)Cc1csc2c1cccc2 270004a_100000739694_100000239721 [0,1,0,0,0,0|3,0,0]=4 355 B17R2.39 CN(CC(=O)N)Cc1n[nH]c2c1cccc2 270004a_100000739694_100000059708 [0,1,0,0,0,0|3,0,0]=4 356 B17R2.39 CN(CC(=O)O)Cc1csc2c1cccc2 269956a_100000746989_200000742921 [0,1,0,0,0,0|2,0,0]=3 357 B17R2.39 CN(CC(=O)O)Cc1noc2c1cccc2 269956a_100000746989_100009813815 [0,1,0,0,0,0|3,0,0]=4 358 B17R2.39 NC(=O)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000187820 [0,1,0,0,0,0|1,0,1]=3 359 B17R2.39 NC(=O)CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000187820 [0,1,0,0,0,0|2,0,1]=4 360 B17R2.39 NC(=O)CC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000187820 [0,1,0,0,0,0|2,0,1]=4 361 B17R2.39 NC(=O)CC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000187820 [0,1,0,0,0,0|2,0,1]=4 362 B17R2.39 NC(=O)CC(=O)Cc1csc2c1cccc2 1458a_100134613110_200000742921 [0,1,0,0,0,0|2,0,1]=4 363 B17R2.39 NC(=O)CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000187820 [0,1,0,0,0,0|2,0,1]=4 364 B17R2.39 O=C(Cc1c[nH]c2c1cccc2)C[N+](=O)[O-] 1458a_100000183835_100000761209 [0,1,0,0,0,0|1,0,2]=4 365 B17R2.39 O=C([O-])CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100020667443 [0,1,0,0,0,0|0,0,2]=3 366 B17R2.39 O=C([O-])CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100020667443 [0,1,0,0,0,0|1,0,2]=4 367 B17R2.39 O=C([O-])CC(=O)Cc1coc2c1cccc2 1458a_100000217546_100020667443 [0,1,0,0,0,0|1,0,2]=4 368 B17R2.39 O=C([O-])CC(=O)Cc1csc2c1cccc2 1458a_100000741031_100020667443 [0,1,0,0,0,0|1,0,2]=4 369 B17R2.39 O=C([O-])CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100020667443 [0,1,0,0,0,0|1,0,2]=4 370 B17R2.3413 CS(=O)(=O)NCCc1c[nH]c2c1cccc2 40a_100000211132_100000738038 [0,1,0,0,0,0|2,0,1]=4 371 B17R2.3451 CC(=O)CCSc1c[nH]c2c1ccc(n2)Cl 62a_100000053229_100010168512 [0,1,0,0,0,0|3,0,0]=4 372 B17R2.3451 CC(=O)CCSc1c[nH]c2c1ccc(n2)F 62a_100000053229_100010168364 [0,1,0,0,0,0|3,0,0]=4 373 B17R2.3451 CC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100000053229_100010206817 [0,1,0,0,0,0|3,0,0]=4 374 B17R2.3451 CC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000053229 [0,1,0,0,0,0|3,0,0]=4 375 B17R2.3451 CC(=O)CCSc1c[nH]c2c1cnc(c2)Cl 62a_100000053229_100010206812 [0,1,0,0,0,0|3,0,0]=4 376 B17R2.3451 CC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100000053229_100010208019 [0,1,0,0,0,0|3,0,0]=4 377 B17R2.3451 CC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000053229 [0,1,0,0,0,0|3,0,0]=4 378 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100000053229_100010186045 [0,1,0,0,0,0|3,0,0]=4 379 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000053229 [0,1,0,0,0,0|3,0,0]=4 380 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)C 62a_100000053229_100000049534 [0,1,0,0,0,0|3,0,0]=4 381 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)Cl 62a_100000053229_100000049627 [0,1,0,0,0,0|3,0,0]=4 382 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)F 62a_100000053229_100000049990 [0,1,0,0,0,0|3,0,0]=4 383 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)N 62a_100000053229_100009816878 [0,1,0,0,0,0|3,0,0]=4 384 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)C 11a_100000709966_100015343762 [0,1,0,0,0,0|2,0,0]=3 385 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)C 240690a_100000709966_100015343762 [0,1,0,0,0,0|2,0,0]=3 386 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)C 527a_100000709966_100103153847 [0,1,0,0,0,0|2,0,0]=3 387 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)F 11a_100000709932_100015343762 [0,1,0,0,0,0|2,0,0]=3 388 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)F 240690a_100000709932_100015343762 [0,1,0,0,0,0|2,0,0]=3 389 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)F 527a_100000709932_100103153847 [0,1,0,0,0,0|2,0,0]=3 390 B17R2.3451 Cc1ccc2c(n[nH]c2c1)SCCC(=O)N 62a_100000744528_100000049534 [0,1,0,0,0,0|3,0,0]=4 391 B17R2.3451 NC(=O)CCSc1c[nH]c2c1ccc(n2)Cl 62a_100000744528_100010168512 [0,1,0,0,0,0|3,0,0]=4 392 B17R2.3451 NC(=O)CCSc1c[nH]c2c1ccc(n2)F 62a_100000744528_100010168364 [0,1,0,0,0,0|3,0,0]=4 393 B17R2.3451 NC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100000744528_100010206817 [0,1,0,0,0,0|3,0,0]=4 394 B17R2.3451 NC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000744528 [0,1,0,0,0,0|3,0,0]=4 395 B17R2.3451 NC(=O)CCSc1c[nH]c2c1cnc(c2)Cl 62a_100000744528_100010206812 [0,1,0,0,0,0|3,0,0]=4 396 B17R2.3451 NC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100000744528_100010208019 [0,1,0,0,0,0|3,0,0]=4 397 B17R2.3451 NC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000744528 [0,1,0,0,0,0|3,0,0]=4 398 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100000744528_100010186045 [0,1,0,0,0,0|3,0,0]=4 399 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000744528 [0,1,0,0,0,0|3,0,0]=4 400 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)Cl 62a_100000744528_100000049627 [0,1,0,0,0,0|3,0,0]=4 401 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)F 62a_100000744528_100000049990 [0,1,0,0,0,0|3,0,0]=4 402 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)N 62a_100000744528_100009816878 [0,1,0,0,0,0|3,0,0]=4 403 B17R2.5025 CC(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000047366_200000210301 [0,1,0,0,0,0|2,0,0]=3 404 B17R2.5025 CC(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000070787_100000184716 [0,1,0,0,0,0|2,0,0]=3 405 B17R2.5025 CC(=O)CCCn1c(=O)oc2c1cccc2 1458a_100000184760_200000210301 [0,1,0,0,0,0|3,0,0]=4 406 B17R2.5025 CC(=O)CCSC1C(=O)Nc2c1cccc2 62a_100000053229_200009996675 [0,1,0,0,0,0|2,0,1]=4 407 B17R2.5025 CC(=O)CCSc1c([nH]c2c1cccn2)C 62a_100000053229_100010174266 [0,1,0,0,0,0|3,0,0]=4 408 B17R2.5025 CC(=O)CCSc1c(oc2c1cccc2)C 62a_100000053229_200010236113 [0,1,0,0,0,0|3,0,0]=4 409 B17R2.5025 CC(=O)CCSc1c(sc2c1cccc2)C 62a_100000053229_100010002616 [0,1,0,0,0,0|3,0,0]=4 410 B17R2.5025 CC(=O)CCSc1c(sc2c1cccc2)C 62a_100010002616_100000053229 [0,1,0,0,0,0|3,0,0]=4 411 B17R2.5025 CC(=O)NCCC1C(=O)Nc2c1cccc2 240690a_100000737811_100015343762 [0,1,0,0,0,0|2,0,1]=4 412 B17R2.5025 CC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100015343762 [0,1,0,0,0,0|2,0,0]=3 413 B17R2.5025 CC(=O)NCCc1c([nH]c2c1cccc2)C 527a_100000750322_100103153847 [0,1,0,0,0,0|2,0,0]=3 414 B17R2.5025 CC(=O)NCCc1c([nH]c2c1cccc2)O 271570a_203496583355_200010188624 [0,1,0,0,0,0|2,0,0]=3 415 B17R2.5025 CC(=O)NCCn1c(=O)[nH]c2c1cccc2 11a_203549771432_100015343762 [0,1,0,0,0,0|3,0,0]=4 416 B17R2.5025 CC(=O)NCCn1c(=O)[nH]c2c1cccc2 240690a_203549771432_100015343762 [0,1,0,0,0,0|3,0,0]=4 417 B17R2.5025 CC(=O)NCCn1c(=O)[nH]c2c1cccc2 527a_203549771432_100103153847 [0,1,0,0,0,0|3,0,0]=4 418 B17R2.5025 Cc1[nH]c2ncccc2c1SCCC(=O)N 62a_100000744528_100010174266 [0,1,0,0,0,0|3,0,0]=4 419 B17R2.5025 Cc1oc2ccccc2c1SCCC(=O)N 62a_100000744528_200010236113 [0,1,0,0,0,0|3,0,0]=4 420 B17R2.5025 Cc1sc2ccccc2c1SCCC(=O)N 62a_100000744528_100010002616 [0,1,0,0,0,0|3,0,0]=4 421 B17R2.5025 Cc1sc2ccccc2c1SCCC(=O)N 62a_100010002616_100000744528 [0,1,0,0,0,0|3,0,0]=4 422 B17R2.5025 NC(=O)CCSC1C(=O)Nc2c1cccc2 62a_100000744528_200009996675 [0,1,0,0,0,0|2,0,1]=4 423 B17R2.5025 O=C(O)CNCn1c(=S)sc2c1cccc2 269956a_100016091260_200000011012 [0,1,0,0,0,0|3,0,0]=4 424 B17R2.5025 O=C(O)CONC1C(=O)Nc2c1cccc2 269956a_100000106656_200009996675 [0,1,0,0,0,0|2,0,1]=4 425 B17R2.5025 [13CH3]C(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000047366_200025704644 [0,1,0,0,0,0|2,0,0]=3 426 B17R2.5025 [13CH3]C(=O)CCCn1c(=O)oc2c1cccc2 1458a_100000184760_200025704644 [0,1,0,0,0,0|3,0,0]=4 427 B17R2.25462 CC(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200000210301 [0,1,0,0,0,0|1,0,0]=2 428 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100000053229_100011290788 [0,1,0,0,0,0|3,0,0]=4 429 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000053229 [0,1,0,0,0,0|3,0,0]=4 430 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)C 62a_100000053229_100010246215 [0,1,0,0,0,0|3,0,0]=4 431 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)Cl 62a_100000053229_100000050100 [0,1,0,0,0,0|3,0,0]=4 432 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)F 62a_100000053229_100010168383 [0,1,0,0,0,0|3,0,0]=4 433 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)N 62a_100000053229_100010168510 [0,1,0,0,0,0|3,0,0]=4 434 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(nc2)Cl 62a_100000053229_100010168685 [0,1,0,0,0,0|3,0,0]=4 435 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100000053229_100010168532 [0,1,0,0,0,0|3,0,0]=4 436 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000053229 [0,1,0,0,0,0|3,0,0]=4 437 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)C 62a_100000053229_100010212567 [0,1,0,0,0,0|3,0,0]=4 438 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)Cl 62a_100000053229_100010168529 [0,1,0,0,0,0|3,0,0]=4 439 B17R2.25462 CC(=O)CCSc1csc2c1cc(cc2)N 62a_100000053229_100011178648 [0,1,0,0,0,0|3,0,0]=4 440 B17R2.25462 CC(=O)CCSc1csc2c1cc(cc2)N 62a_100011178648_100000053229 [0,1,0,0,0,0|3,0,0]=4 441 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)Br 62a_100000053229_100010186058 [0,1,0,0,0,0|3,0,0]=4 442 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)C 62a_100000053229_100000123028 [0,1,0,0,0,0|3,0,0]=4 443 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)Cl 62a_100000053229_100010174404 [0,1,0,0,0,0|3,0,0]=4 444 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)F 62a_100000053229_100011934747 [0,1,0,0,0,0|3,0,0]=4 445 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)N 62a_100000053229_100012353729 [0,1,0,0,0,0|3,0,0]=4 446 B17R2.25462 CC(=O)COCc1csc2c1cc(cc2)Cl 34a_100000211253_100009814428 [0,1,0,0,0,0|3,0,0]=4 447 B17R2.25462 CC(=O)COCc1csc2c1cc(cc2)F 34a_100000211253_100010109839 [0,1,0,0,0,0|3,0,0]=4 448 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100015343762 [0,1,0,0,0,0|2,0,0]=3 449 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100103153847 [0,1,0,0,0,0|2,0,0]=3 450 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100015343762 [0,1,0,0,0,0|2,0,0]=3 451 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100015343762 [0,1,0,0,0,0|2,0,0]=3 452 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100103153847 [0,1,0,0,0,0|2,0,0]=3 453 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 11a_100000763428_100015343762 [0,1,0,0,0,0|2,0,0]=3 454 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100015343762 [0,1,0,0,0,0|2,0,0]=3 455 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100103153847 [0,1,0,0,0,0|2,0,0]=3 456 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 11a_100000725365_100015343762 [0,1,0,0,0,0|2,0,0]=3 457 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100015343762 [0,1,0,0,0,0|2,0,0]=3 458 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100103153847 [0,1,0,0,0,0|2,0,0]=3 459 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100015343762 [0,1,0,0,0,0|2,0,0]=3 460 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100103153847 [0,1,0,0,0,0|2,0,0]=3 461 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 11a_100016989105_100015343762 [0,1,0,0,0,0|3,0,0]=4 462 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 1626a_100016989105_100015343762 [0,1,0,0,0,0|3,0,0]=4 463 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 240690a_100016989105_100015343762 [0,1,0,0,0,0|3,0,0]=4 464 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 527a_100016989105_100103153847 [0,1,0,0,0,0|3,0,0]=4 465 B17R2.25462 Cc1ccc2[nH]cc(c2n1)SCCC(=O)N 62a_100000744528_100010212567 [0,1,0,0,0,0|3,0,0]=4 466 B17R2.25462 Cc1ccc2[nH]nc(c2c1)SCCC(=O)N 62a_100000744528_100000123028 [0,1,0,0,0,0|3,0,0]=4 467 B17R2.25462 Cc1cnc2[nH]cc(c2c1)SCCC(=O)N 62a_100000744528_100010246215 [0,1,0,0,0,0|3,0,0]=4 468 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100000744528_100011290788 [0,1,0,0,0,0|3,0,0]=4 469 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000744528 [0,1,0,0,0,0|3,0,0]=4 470 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)Cl 62a_100000744528_100000050100 [0,1,0,0,0,0|3,0,0]=4 471 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)F 62a_100000744528_100010168383 [0,1,0,0,0,0|3,0,0]=4 472 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)N 62a_100000744528_100010168510 [0,1,0,0,0,0|3,0,0]=4 473 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(nc2)Cl 62a_100000744528_100010168685 [0,1,0,0,0,0|3,0,0]=4 474 B17R2.25462 NC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100000744528_100010168532 [0,1,0,0,0,0|3,0,0]=4 475 B17R2.25462 NC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000744528 [0,1,0,0,0,0|3,0,0]=4 476 B17R2.25462 NC(=O)CCSc1c[nH]c2c1nc(cc2)Cl 62a_100000744528_100010168529 [0,1,0,0,0,0|3,0,0]=4 477 B17R2.25462 NC(=O)CCSc1csc2c1cc(cc2)N 62a_100000744528_100011178648 [0,1,0,0,0,0|3,0,0]=4 478 B17R2.25462 NC(=O)CCSc1csc2c1cc(cc2)N 62a_100011178648_100000744528 [0,1,0,0,0,0|3,0,0]=4 479 B17R2.25462 NC(=O)CCSc1n[nH]c2c1cc(cc2)Br 62a_100000744528_100010186058 [0,1,0,0,0,0|3,0,0]=4 480 B17R2.25462 NC(=O)CCSc1n[nH]c2c1cc(cc2)Cl 62a_100000744528_100010174404 [0,1,0,0,0,0|3,0,0]=4 481 B17R2.25462 NC(=O)CCSc1n[nH]c2c1cc(cc2)F 62a_100000744528_100011934747 [0,1,0,0,0,0|3,0,0]=4 482 B17R2.25462 NC(=O)CCSc1n[nH]c2c1cc(cc2)N 62a_100000744528_100012353729 [0,1,0,0,0,0|3,0,0]=4 483 B17R2.25462 NC(=O)CNCc1csc2c1cc(cc2)Cl 2230a_100000711301_100009814428 [0,1,0,0,0,0|3,0,0]=4 484 B17R2.25462 NC(=O)CNCc1csc2c1cc(cc2)F 2230a_100000711301_100010109839 [0,1,0,0,0,0|3,0,0]=4 485 B17R2.25462 NC(=O)COCc1csc2c1cc(cc2)Cl 34a_200000043707_100000187820 [0,1,0,0,0,0|3,0,0]=4 486 B17R2.25462 NC(=O)COCc1csc2c1cc(cc2)Cl 7a_200000043707_100000187820 [0,1,0,0,0,0|3,0,0]=4 487 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)Cl 62a_100000747473_100009814428 [0,1,0,0,0,0|3,0,0]=4 488 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)Cl 62a_100009814428_100000747473 [0,1,0,0,0,0|3,0,0]=4 489 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)F 62a_100000747473_100010109839 [0,1,0,0,0,0|3,0,0]=4 490 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)F 62a_100010109839_100000747473 [0,1,0,0,0,0|3,0,0]=4 491 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)Cl 269956a_100016091260_100009814428 [0,1,0,0,0,0|2,0,0]=3 492 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)F 269956a_100016091260_100010109839 [0,1,0,0,0,0|2,0,0]=3 493 B17R2.25462 O=C([O-])COCc1csc2c1cc(cc2)Cl 34a_200000043707_100020667443 [0,1,0,0,0,0|2,0,1]=4 494 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)Cl 62a_100009814428_100020667443 [0,1,0,0,0,0|2,0,1]=4 495 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)Cl 62a_100020667443_100009814428 [0,1,0,0,0,0|2,0,1]=4 496 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)F 62a_100010109839_100020667443 [0,1,0,0,0,0|2,0,1]=4 497 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)F 62a_100020667443_100010109839 [0,1,0,0,0,0|2,0,1]=4 498 B17R2.25462 [13CH3]C(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200025704644 [0,1,0,0,0,0|1,0,0]=2 499 B17R2.37440 CC(=O)CCSc1c[nH]c2c1nccc2Cl 62a_100000053229_100010168581 [0,1,0,0,0,0|3,0,0]=4 500 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2Br 62a_100000053229_100010197283 [0,1,0,0,0,0|3,0,0]=4 501 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2C 62a_100000053229_100010186057 [0,1,0,0,0,0|3,0,0]=4 502 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2Cl 62a_100000053229_100000050086 [0,1,0,0,0,0|3,0,0]=4 503 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2F 62a_100000053229_100010231504 [0,1,0,0,0,0|3,0,0]=4 504 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2N 62a_100000053229_100009888981 [0,1,0,0,0,0|3,0,0]=4 505 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2O 62a_100000053229_200010988877 [0,1,0,0,0,0|3,0,0]=4 506 B17R2.37440 CC(=O)NCCc1c[nH]c2c1cccc2C 11a_100015184521_100015343762 [0,1,0,0,0,0|2,0,0]=3 507 B17R2.37440 CC(=O)NCCc1c[nH]c2c1cccc2C 240690a_100015184521_100015343762 [0,1,0,0,0,0|2,0,0]=3 508 B17R2.37440 CC(=O)NCCc1c[nH]c2c1cccc2C 527a_100015184521_100103153847 [0,1,0,0,0,0|2,0,0]=3 509 B17R2.37440 CC(O)CNCc1c[nH]c2c1cccc2Br 270004a_100000210904_100009814786 [0,1,0,0,0,0|2,0,1]=4 510 B17R2.37440 CC(O)CNCc1c[nH]c2c1cccc2Cl 270004a_100000210904_100011361501 [0,1,0,0,0,0|2,0,1]=4 511 B17R2.37440 Cc1cccc2c1[nH]cc2CNCC(C)O 270004a_100000210904_100000040139 [0,1,0,0,0,0|2,0,1]=4 512 B17R2.37440 Cc1cccc2c1[nH]nc2SCCC(=O)N 62a_100000744528_100010186057 [0,1,0,0,0,0|3,0,0]=4 513 B17R2.37440 NC(=O)CCSc1c[nH]c2c1nccc2Cl 62a_100000744528_100010168581 [0,1,0,0,0,0|3,0,0]=4 514 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2Br 62a_100000744528_100010197283 [0,1,0,0,0,0|3,0,0]=4 515 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2Cl 62a_100000744528_100000050086 [0,1,0,0,0,0|3,0,0]=4 516 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2F 62a_100000744528_100010231504 [0,1,0,0,0,0|3,0,0]=4 517 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2N 62a_100000744528_100009888981 [0,1,0,0,0,0|3,0,0]=4 518 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2O 62a_100000744528_200010988877 [0,1,0,0,0,0|3,0,0]=4 519 B17R2.37553 CC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100000053229_100010212587 [0,1,0,0,0,0|3,0,0]=4 520 B17R2.37553 CC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000053229 [0,1,0,0,0,0|3,0,0]=4 521 B17R2.37553 CC(=O)CCSc1c[nH]c2c1c(ccn2)Cl 62a_100000053229_100011356983 [0,1,0,0,0,0|3,0,0]=4 522 B17R2.37553 CC(=O)CCSc1c[nH]c2c1c(ccn2)F 62a_100000053229_100010168365 [0,1,0,0,0,0|3,0,0]=4 523 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)Br 62a_100000053229_100010186043 [0,1,0,0,0,0|3,0,0]=4 524 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)C 62a_100000053229_100000049903 [0,1,0,0,0,0|3,0,0]=4 525 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)Cl 62a_100000053229_100000049730 [0,1,0,0,0,0|3,0,0]=4 526 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)F 62a_100000053229_100000049989 [0,1,0,0,0,0|3,0,0]=4 527 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)N 62a_100000053229_100010186038 [0,1,0,0,0,0|3,0,0]=4 528 B17R2.37553 Cc1cccc2c1c(n[nH]2)SCCC(=O)N 62a_100000744528_100000049903 [0,1,0,0,0,0|3,0,0]=4 529 B17R2.37553 NC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100000744528_100010212587 [0,1,0,0,0,0|3,0,0]=4 530 B17R2.37553 NC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000744528 [0,1,0,0,0,0|3,0,0]=4 531 B17R2.37553 NC(=O)CCSc1c[nH]c2c1c(ccn2)Cl 62a_100000744528_100011356983 [0,1,0,0,0,0|3,0,0]=4 532 B17R2.37553 NC(=O)CCSc1c[nH]c2c1c(ccn2)F 62a_100000744528_100010168365 [0,1,0,0,0,0|3,0,0]=4 533 B17R2.37553 NC(=O)CCSc1n[nH]c2c1c(ccc2)Br 62a_100000744528_100010186043 [0,1,0,0,0,0|3,0,0]=4 534 B17R2.37553 NC(=O)CCSc1n[nH]c2c1c(ccc2)Cl 62a_100000744528_100000049730 [0,1,0,0,0,0|3,0,0]=4 535 B17R2.37553 NC(=O)CCSc1n[nH]c2c1c(ccc2)F 62a_100000744528_100000049989 [0,1,0,0,0,0|3,0,0]=4 536 B17R2.37553 NC(=O)CCSc1n[nH]c2c1c(ccc2)N 62a_100000744528_100010186038 [0,1,0,0,0,0|3,0,0]=4 537 B17R2.78537 C=C(C)CNCc1cn(c2c1cccc2)C 34a_100011997738_100000748629 [0,1,0,0,0,0|3,0,0]=4 538 B17R2.78537 C=C(F)CNCc1cn(c2c1cccc2)C 34a_100011997738_100009893438 [0,1,0,0,0,0|3,0,0]=4 539 B17R2.78537 CC(=O)CCSc1cn(c2c1cccn2)C 62a_100000053229_100010205794 [0,1,0,0,0,0|3,0,0]=4 540 B17R2.78537 CC(=O)CCSc1nn(c2c1cccc2)C 62a_100000053229_100009817141 [0,1,0,0,0,0|3,0,0]=4 541 B17R2.78537 CC(=O)CCSc1nn(c2c1cccc2)C 62a_100009817141_100000053229 [0,1,0,0,0,0|3,0,0]=4 542 B17R2.78537 CC(O)CNCc1cn(c2c1cccc2)C 34a_100011997738_100011218427 [0,1,0,0,0,0|2,0,1]=4 543 B17R2.78537 C[C@@H](O)CNCc1cn(c2c1cccc2)C 34a_100011997738_100009817552 [0,1,0,0,0,0|2,0,1]=4 544 B17R2.78537 Cn1cc(c2c1cccc2)CNCC(=O)N 34a_100011997738_100000187820 [0,1,0,0,0,0|2,0,0]=3 545 B17R2.78537 Cn1cc(c2c1cccc2)CNCC(=O)[O-] 34a_100011997738_100020667443 [0,1,0,0,0,0|1,0,1]=3 546 B17R2.78537 Cn1cc(c2c1cccc2)CNC[N+](=O)[O-] 34a_100011997738_100000761209 [0,1,0,0,0,0|2,0,1]=4 547 B17R2.78537 Cn1cc(c2c1nccc2)SCCC(=O)N 62a_100000744528_100010205794 [0,1,0,0,0,0|3,0,0]=4 548 B17R2.78537 Cn1nc(c2c1cccc2)CNCC(=O)N 34a_200011934655_100000187820 [0,1,0,0,0,0|3,0,0]=4 549 B17R2.78537 Cn1nc(c2c1cccc2)CNCC(=O)[O-] 34a_200011934655_100020667443 [0,1,0,0,0,0|2,0,1]=4 550 B17R2.78537 Cn1nc(c2c1cccc2)COCC(=O)N 34a_100011934675_100000187820 [0,1,0,0,0,0|3,0,0]=4 551 B17R2.78537 Cn1nc(c2c1cccc2)COCC(=O)[O-] 34a_100011934675_100020667443 [0,1,0,0,0,0|2,0,1]=4 552 B17R2.78537 Cn1nc(c2c1cccc2)SCCC(=O)N 62a_100000744528_100009817141 [0,1,0,0,0,0|3,0,0]=4 553 B17R2.78537 Cn1nc(c2c1cccc2)SCCC(=O)N 62a_100009817141_100000744528 [0,1,0,0,0,0|3,0,0]=4 554 B15R1.84 C=Cc1ccccc1NCCCC(=O)C 34a_100012022501_100000685027 [0,0,1,0,0,0|3,0,0]=4 555 B15R1.84 C=Cc1ccccc1NCCCC(=O)N 34a_100012022501_100102525003 [0,0,1,0,0,0|3,0,0]=4 556 B15R1.84 C=Cc1ccccc1SCCCC(=O)C 62a_100011215641_100011218376 [0,0,1,0,0,0|3,0,0]=4 557 B15R1.84 C=Cc1ccccc1SCCCC(=O)C 62a_100011218376_100011215641 [0,0,1,0,0,0|3,0,0]=4 558 B15R1.84 C=Cc1ccccc1SCCCC(=O)N 62a_100011218376_100102525003 [0,0,1,0,0,0|3,0,0]=4 559 B15R1.84 C=Cc1ccccc1SCCCC(=O)N 62a_100102525003_100011218376 [0,0,1,0,0,0|3,0,0]=4 560 B15R1.84 CC(=O)CCCSc1ccccc1NN 62a_100000241748_100011215641 [0,0,1,0,0,0|3,0,0]=4 561 B15R1.84 CC(=O)CCCSc1ccccc1NN 62a_100011215641_100000241748 [0,0,1,0,0,0|3,0,0]=4 562 B15R1.84 CNc1ccccc1OCCCC(=O)C 34a_100000033821_100000685027 [0,0,1,0,0,0|2,0,1]=4 563 B15R1.84 CNc1ccccc1OCCCC(=O)N 34a_100000033821_100102525003 [0,0,1,0,0,0|2,0,1]=4 564 B15R1.84 CNc1ccccc1SCCCC(=O)C 62a_100011215641_100020606079 [0,0,1,0,0,0|2,0,1]=4 565 B15R1.84 CNc1ccccc1SCCCC(=O)C 62a_100020606079_100011215641 [0,0,1,0,0,0|2,0,1]=4 566 B15R1.84 CNc1ccccc1SCCCC(=O)N 62a_100020606079_100102525003 [0,0,1,0,0,0|2,0,1]=4 567 B15R1.84 CNc1ccccc1SCCCC(=O)N 62a_100102525003_100020606079 [0,0,1,0,0,0|2,0,1]=4 568 B15R1.84 NNc1ccccc1SCCCC(=O)N 62a_100000241748_100102525003 [0,0,1,0,0,0|3,0,0]=4 569 B15R1.84 NNc1ccccc1SCCCC(=O)N 62a_100102525003_100000241748 [0,0,1,0,0,0|3,0,0]=4 570 B15R1.504 NC(=O)CCCCCNc1ccccc1 34a_100000106764_100009817443 [0,0,1,0,0,0|1,0,2]=4 571 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1Br 1458a_100000188424_100011215641 [0,0,1,0,0,0|3,0,0]=4 572 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1C 1458a_100000212026_100011215641 [0,0,1,0,0,0|3,0,0]=4 573 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215641 [0,0,1,0,0,0|3,0,0]=4 574 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1F 1458a_100000188656_100011215641 [0,0,1,0,0,0|3,0,0]=4 575 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1I 1458a_100000187884_100011215641 [0,0,1,0,0,0|3,0,0]=4 576 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1O 1458a_100015234032_100011215641 [0,0,1,0,0,0|3,0,0]=4 577 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215641 [0,0,1,0,0,0|3,0,0]=4 578 B15R1.8019 Cc1ccccc1C(=O)CCCC(=O)N 1458a_100000212026_100102525003 [0,0,1,0,0,0|3,0,0]=4 579 B15R1.8019 Cc1ccccc1C(=O)CNCC(=O)O 269956a_100016091260_100000741374 [0,0,1,0,0,0|3,0,0]=4 580 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1Br 1458a_100000188424_100102525003 [0,0,1,0,0,0|3,0,0]=4 581 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100102525003 [0,0,1,0,0,0|3,0,0]=4 582 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1F 1458a_100000188656_100102525003 [0,0,1,0,0,0|3,0,0]=4 583 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1I 1458a_100000187884_100102525003 [0,0,1,0,0,0|3,0,0]=4 584 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1O 1458a_100015234032_100102525003 [0,0,1,0,0,0|3,0,0]=4 585 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100102525003 [0,0,1,0,0,0|3,0,0]=4 586 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1Br 269956a_100016091260_100000199116 [0,0,1,0,0,0|3,0,0]=4 587 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1Cl 269956a_100016091260_100000211432 [0,0,1,0,0,0|3,0,0]=4 588 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1F 269956a_100016091260_100000204681 [0,0,1,0,0,0|3,0,0]=4 589 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1O 269956a_100016091260_100000188908 [0,0,1,0,0,0|3,0,0]=4 590 B17R3.26 O=C1C=C(CC1)c2c[nH]c3c2cccn3 271570a_100010737933_100011934613 [0,0,0,1,0,0|2,0,1]=4 591 B17R3.26 O=C1C=C(CC1)c2c[nH]c3c2ccnc3 271570a_100010737933_100010232032 [0,0,0,1,0,0|2,0,1]=4 592 B17R3.26 O=C1C=C(CC1)c2c[nH]c3c2cncc3 271570a_100010737933_100011934843 [0,0,0,1,0,0|2,0,1]=4 593 B17R3.26 O=C1C=C(CC1)c2c[nH]c3c2nccc3 271570a_100010737933_100009817151 [0,0,0,1,0,0|2,0,1]=4 594 B17R3.26 O=C1C=C(CC1)c2coc3c2cccc3 271570a_100010737933_100009812202 [0,0,0,1,0,0|2,0,1]=4 595 B17R3.26 O=C1C=C(CC1)c2csc3c2cccc3 271570a_100010737933_100009813928 [0,0,0,1,0,0|2,0,1]=4 596 B17R3.26 O=C1C=C(CC1)c2n[nH]c3c2cccc3 271570a_100010737933_100000050141 [0,0,0,1,0,0|2,0,1]=4 597 B17R3.3334 O=C1CC(C1)Sc2c[nH]c3c2cccn3 62a_100009894365_100011934613 [0,0,0,1,0,0|3,0,0]=4 598 B17R3.3334 O=C1CC(C1)Sc2c[nH]c3c2ccnc3 62a_100009894365_100010232032 [0,0,0,1,0,0|3,0,0]=4 599 B17R3.3334 O=C1CC(C1)Sc2c[nH]c3c2cncc3 62a_100009894365_100000753697 [0,0,0,1,0,0|3,0,0]=4 600 B17R3.3334 O=C1CC(C1)Sc2c[nH]c3c2nccc3 62a_100009894365_100009817151 [0,0,0,1,0,0|3,0,0]=4 601 B17R3.3334 O=C1CC(C1)Sc2coc3c2cccc3 62a_100009894365_100009812202 [0,0,0,1,0,0|3,0,0]=4 602 B17R3.3334 O=C1CC(C1)Sc2csc3c2cccc3 62a_100009894365_100009813928 [0,0,0,1,0,0|3,0,0]=4 603 B17R3.3334 O=C1CC(C1)Sc2n[nH]c3c2cccc3 62a_100009894365_100000050141 [0,0,0,1,0,0|3,0,0]=4 604 B15R2.6 CC(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_200000210301 [0,0,0,0,1,0|1,0,2]=4 605 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [0,0,0,0,1,0|1,0,0]=2 606 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [0,0,0,0,1,0|1,0,0]=2 607 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000070787_100009895007 [0,0,0,0,1,0|2,0,0]=3 608 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200000210301 [0,0,0,0,1,0|2,0,0]=3 609 B15R2.6 CC(=O)CCn1ccc2c1cccc2 1458a_100000186764_200000210301 [0,0,0,0,1,0|3,0,0]=4 610 B15R2.6 CC(=O)CCn1cnc2c1cccc2 1458a_100000177575_200000210301 [0,0,0,0,1,0|2,0,1]=4 611 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100015343762 [0,0,0,0,1,0|2,0,0]=3 612 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100103153847 [0,0,0,0,1,0|2,0,0]=3 613 B15R2.6 CC(=O)NCc1csc2c1cccc2 11a_100000744611_100015343762 [0,0,0,0,1,0|3,0,0]=4 614 B15R2.6 CC(=O)NCc1csc2c1cccc2 1626a_100000744611_100015343762 [0,0,0,0,1,0|3,0,0]=4 615 B15R2.6 CC(=O)NCc1csc2c1cccc2 240690a_100000744611_100015343762 [0,0,0,0,1,0|3,0,0]=4 616 B15R2.6 CC(=O)NCc1csc2c1cccc2 527a_100000744611_100103153847 [0,0,0,0,1,0|3,0,0]=4 617 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 2230a_100102631434_100011218569 [0,0,0,0,1,0|3,0,0]=4 618 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 269982a_100102631434_100011218569 [0,0,0,0,1,0|3,0,0]=4 619 B15R2.6 NC(=O)COc1csc2c1cccc2 34a_100000077758_100000187820 [0,0,0,0,1,0|3,0,0]=4 620 B15R2.6 NC(=O)COc1csc2c1cccc2 7a_100000077758_100000187820 [0,0,0,0,1,0|3,0,0]=4 621 B15R2.6 NC(=O)CSc1c[nH]c2c1cccn2 62a_100000747473_100011934613 [0,0,0,0,1,0|3,0,0]=4 622 B15R2.6 NC(=O)CSc1c[nH]c2c1ccnc2 62a_100000747473_100010232032 [0,0,0,0,1,0|3,0,0]=4 623 B15R2.6 NC(=O)CSc1c[nH]c2c1cncc2 62a_100000747473_100000753697 [0,0,0,0,1,0|3,0,0]=4 624 B15R2.6 NC(=O)CSc1c[nH]c2c1nccc2 62a_100000747473_100009817151 [0,0,0,0,1,0|3,0,0]=4 625 B15R2.6 NC(=O)CSc1coc2c1cccc2 62a_100000747473_100009812202 [0,0,0,0,1,0|3,0,0]=4 626 B15R2.6 NC(=O)CSc1csc2c1cccc2 62a_100000747473_100009813928 [0,0,0,0,1,0|3,0,0]=4 627 B15R2.6 NC(=O)CSc1n[nH]c2c1cccc2 62a_100000747473_100000050141 [0,0,0,0,1,0|3,0,0]=4 628 B15R2.6 O=C([O-])COc1csc2c1cccc2 34a_100000077758_100020667443 [0,0,0,0,1,0|2,0,1]=4 629 B15R2.6 O=C([O-])CSc1c[nH]c2c1cccn2 62a_100020667443_100011934613 [0,0,0,0,1,0|2,0,1]=4 630 B15R2.6 O=C([O-])CSc1c[nH]c2c1ccnc2 62a_100020667443_100010232032 [0,0,0,0,1,0|2,0,1]=4 631 B15R2.6 O=C([O-])CSc1c[nH]c2c1cncc2 62a_100020667443_100000753697 [0,0,0,0,1,0|2,0,1]=4 632 B15R2.6 O=C([O-])CSc1c[nH]c2c1nccc2 62a_100020667443_100009817151 [0,0,0,0,1,0|2,0,1]=4 633 B15R2.6 O=C([O-])CSc1coc2c1cccc2 62a_100020667443_100009812202 [0,0,0,0,1,0|2,0,1]=4 634 B15R2.6 O=C([O-])CSc1csc2c1cccc2 62a_100020667443_100009813928 [0,0,0,0,1,0|2,0,1]=4 635 B15R2.6 O=C([O-])CSc1n[nH]c2c1cccc2 62a_100020667443_100000050141 [0,0,0,0,1,0|2,0,1]=4 636 B15R2.6 [13CH3]C(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_200025704644 [0,0,0,0,1,0|1,0,2]=4 637 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [0,0,0,0,1,0|1,0,0]=2 638 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200025704644 [0,0,0,0,1,0|2,0,0]=3 639 B15R2.6 [13CH3]C(=O)CCn1ccc2c1cccc2 1458a_100000186764_200025704644 [0,0,0,0,1,0|3,0,0]=4 640 B15R2.6 [13CH3]C(=O)CCn1cnc2c1cccc2 1458a_100000177575_200025704644 [0,0,0,0,1,0|2,0,1]=4 641 B17R2.137 C=C(Br)CCOCc1csc2c1cccc2 34a_100009813270_200000742921 [0,0,0,0,0,1|3,0,0]=4 642 B17R2.137 C=C(C)CCNCc1csc2c1cccc2 34a_100000744611_100000730704 [0,0,0,0,0,1|3,0,0]=4 643 B17R2.137 C=C(C)CCOCc1csc2c1cccc2 34a_100000764851_200000742921 [0,0,0,0,0,1|3,0,0]=4 644 B17R2.137 C=C(C)CCOCc1csc2c1cccc2 34a_100011219454_100000730704 [0,0,0,0,0,1|3,0,0]=4 645 B17R2.137 C=C(C)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000748629 [0,0,0,0,0,1|2,0,0]=3 646 B17R2.137 C=C(C)CNCCc1coc2c1cccc2 2230a_100011934666_100000748629 [0,0,0,0,0,1|3,0,0]=4 647 B17R2.137 C=C(C)CNCCc1coc2c1cccc2 34a_100011934666_100000748629 [0,0,0,0,0,1|3,0,0]=4 648 B17R2.137 C=C(C)COCCc1c[nH]c2c1cccc2 34a_100000210245_100011218569 [0,0,0,0,0,1|2,0,0]=3 649 B17R2.137 C=C(C)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000748629 [0,0,0,0,0,1|2,0,0]=3 650 B17R2.137 C=C(C)CSCCc1c[nH]c2c1cccc2 62a_100000748629_100011218569 [0,0,0,0,0,1|2,0,0]=3 651 B17R2.137 C=C(C)CSCCc1c[nH]c2c1cccn2 62a_100000748629_100009895007 [0,0,0,0,0,1|3,0,0]=4 652 B17R2.137 C=C(F)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100009893438 [0,0,0,0,0,1|2,0,0]=3 653 B17R2.137 C=C(F)CNCCc1coc2c1cccc2 2230a_100011934666_100009893438 [0,0,0,0,0,1|3,0,0]=4 654 B17R2.137 C=C(F)CNCCc1coc2c1cccc2 34a_100011934666_100009893438 [0,0,0,0,0,1|3,0,0]=4 655 B17R2.137 C=C(F)COCCc1c[nH]c2c1cccc2 34a_100000752351_100009893438 [0,0,0,0,0,1|2,0,0]=3 656 B17R2.137 C=C(F)COCCc1c[nH]c2c1cccc2 34a_200010262243_100011218569 [0,0,0,0,0,1|2,0,0]=3 657 B17R2.137 C=C(F)CSCCc1c[nH]c2c1cccc2 62a_100000042424_100011218569 [0,0,0,0,0,1|2,0,0]=3 658 B17R2.137 C=C(F)CSCCc1c[nH]c2c1cccn2 62a_100000042424_100009895007 [0,0,0,0,0,1|3,0,0]=4 659 B17R2.137 CC(=O)CCCOc1csc2c1cccc2 34a_100000077758_100000685027 [0,0,0,0,0,1|2,0,0]=3 660 B17R2.137 CC(=O)CCCOc1csc2c1cccc2 7a_100000077758_100011215641 [0,0,0,0,0,1|2,0,0]=3 661 B17R2.137 CC(=O)CCCSc1c[nH]c2c1cccn2 62a_100011215641_100011934613 [0,0,0,0,0,1|2,0,0]=3 662 B17R2.137 CC(=O)CCCSc1c[nH]c2c1ccnc2 62a_100011215641_100010232032 [0,0,0,0,0,1|2,0,0]=3 663 B17R2.137 CC(=O)CCCSc1c[nH]c2c1cncc2 62a_100011215641_100000753697 [0,0,0,0,0,1|2,0,0]=3 664 B17R2.137 CC(=O)CCCSc1c[nH]c2c1cncn2 62a_100009817560_100011215641 [0,0,0,0,0,1|3,0,0]=4 665 B17R2.137 CC(=O)CCCSc1c[nH]c2c1cncn2 62a_100011215641_100000072862 [0,0,0,0,0,1|3,0,0]=4 666 B17R2.137 CC(=O)CCCSc1c[nH]c2c1nccc2 62a_100011215641_100009817151 [0,0,0,0,0,1|2,0,0]=3 667 B17R2.137 CC(=O)CCCSc1c[nH]c2c1nccn2 62a_100011215641_100009819587 [0,0,0,0,0,1|3,0,0]=4 668 B17R2.137 CC(=O)CCCSc1cnc2n1cccc2 62a_100011215641_100011219245 [0,0,0,0,0,1|2,0,1]=4 669 B17R2.137 CC(=O)CCCSc1cnn2c1cccc2 62a_100011215641_100009817726 [0,0,0,0,0,1|2,0,1]=4 670 B17R2.137 CC(=O)CCCSc1coc2c1cccc2 62a_100011215641_100009812202 [0,0,0,0,0,1|2,0,0]=3 671 B17R2.137 CC(=O)CCCSc1coc2c1nccc2 62a_100011215641_100009889148 [0,0,0,0,0,1|3,0,0]=4 672 B17R2.137 CC(=O)CCCSc1csc2c1cccc2 62a_100011215641_100009813928 [0,0,0,0,0,1|2,0,0]=3 673 B17R2.137 CC(=O)CCCSc1csc2c1cccn2 62a_100009830249_100011215641 [0,0,0,0,0,1|3,0,0]=4 674 B17R2.137 CC(=O)CCCSc1csc2c1cccn2 62a_100011215641_100009830249 [0,0,0,0,0,1|3,0,0]=4 675 B17R2.137 CC(=O)CCCSc1csc2c1ccnc2 62a_100009817111_100011215641 [0,0,0,0,0,1|3,0,0]=4 676 B17R2.137 CC(=O)CCCSc1csc2c1ccnc2 62a_100011215641_100009817111 [0,0,0,0,0,1|3,0,0]=4 677 B17R2.137 CC(=O)CCCSc1csc2c1cncc2 62a_100010247091_100011215641 [0,0,0,0,0,1|3,0,0]=4 678 B17R2.137 CC(=O)CCCSc1csc2c1cncc2 62a_100011215641_100010247091 [0,0,0,0,0,1|3,0,0]=4 679 B17R2.137 CC(=O)CCCSc1csc2c1nccc2 62a_100011215641_100010247092 [0,0,0,0,0,1|3,0,0]=4 680 B17R2.137 CC(=O)CCCSc1n[nH]c2c1cccc2 62a_100011215641_100000050141 [0,0,0,0,0,1|2,0,0]=3 681 B17R2.137 CC(=O)CCCSc1n[nH]c2c1cccn2 62a_100011215641_100009888962 [0,0,0,0,0,1|3,0,0]=4 682 B17R2.137 CC(=O)CCCSc1n[nH]c2c1ccnc2 62a_100011215641_100010244369 [0,0,0,0,0,1|3,0,0]=4 683 B17R2.137 CC(=O)CCCSc1n[nH]c2c1cncc2 62a_100011215641_100009820117 [0,0,0,0,0,1|3,0,0]=4 684 B17R2.137 CC(=O)CCCSc1n[nH]c2c1nccc2 62a_100011215641_100009817118 [0,0,0,0,0,1|3,0,0]=4 685 B17R2.137 CC(=O)CCCSc1noc2c1cccc2 62a_100011215641_200000703156 [0,0,0,0,0,1|3,0,0]=4 686 B17R2.137 CC(=O)CCCSc1noc2c1cccc2 62a_200000703156_100011215641 [0,0,0,0,0,1|3,0,0]=4 687 B17R2.137 CC(=O)CCOCc1csc2c1cccc2 34a_100000759926_200000742921 [0,0,0,0,0,1|2,0,0]=3 688 B17R2.137 CC(=O)CCOCc1noc2c1cccc2 34a_100000759926_100009813815 [0,0,0,0,0,1|3,0,0]=4 689 B17R2.137 CC(=O)CCOCc1noc2c1cccc2 7a_100000759926_100009813815 [0,0,0,0,0,1|3,0,0]=4 690 B17R2.137 CC(=O)CCSCc1csc2c1cccc2 62a_100000053229_200000742921 [0,0,0,0,0,1|2,0,0]=3 691 B17R2.137 CC(=O)CCSCc1csc2c1cccc2 62a_200000742921_100000053229 [0,0,0,0,0,1|2,0,0]=3 692 B17R2.137 CC(=O)CCSCc1noc2c1cccc2 62a_100000053229_100009813815 [0,0,0,0,0,1|3,0,0]=4 693 B17R2.137 CC(=O)CCSCc1noc2c1cccc2 62a_100009813815_100000053229 [0,0,0,0,0,1|3,0,0]=4 694 B17R2.137 CC(=O)COCCc1c[nH]c2c1cccc2 34a_100000211253_100011218569 [0,0,0,0,0,1|1,0,0]=2 695 B17R2.137 CC(=O)NCCCc1c[nH]c2c1cccc2 240690a_100102525078_100015343762 [0,0,0,0,0,1|1,0,0]=2 696 B17R2.137 CC(=O)NCCCc1c[nH]c2c1cccc2 527a_100102525078_100103153847 [0,0,0,0,0,1|1,0,0]=2 697 B17R2.137 CC(=O)NCCCn1ccc2c1cccc2 11a_100000185030_100015343762 [0,0,0,0,0,1|3,0,0]=4 698 B17R2.137 CC(=O)NCCCn1ccc2c1cccc2 1626a_100000185030_100015343762 [0,0,0,0,0,1|3,0,0]=4 699 B17R2.137 CC(=O)NCCCn1ccc2c1cccc2 527a_100000185030_100103153847 [0,0,0,0,0,1|3,0,0]=4 700 B17R2.137 CC(=O)NCCCn1cnc2c1cccc2 1626a_100000738934_100015343762 [0,0,0,0,0,1|2,0,1]=4 701 B17R2.137 CC(=O)NCCCn1cnc2c1cccc2 240690a_100000738934_100015343762 [0,0,0,0,0,1|2,0,1]=4 702 B17R2.137 CC(=O)NCCCn1cnc2c1cccc2 527a_100000738934_100103153847 [0,0,0,0,0,1|2,0,1]=4 703 B17R2.137 CC(=O)NCCOc1csc2c1cccc2 7a_100000077758_100000189650 [0,0,0,0,0,1|3,0,0]=4 704 B17R2.137 CC(=O)NCCSc1c[nH]c2c1cccn2 62a_100000189650_100011934613 [0,0,0,0,0,1|3,0,0]=4 705 B17R2.137 CC(=O)NCCSc1c[nH]c2c1ccnc2 62a_100000189650_100010232032 [0,0,0,0,0,1|3,0,0]=4 706 B17R2.137 CC(=O)NCCSc1c[nH]c2c1cncc2 62a_100000189650_100000753697 [0,0,0,0,0,1|3,0,0]=4 707 B17R2.137 CC(=O)NCCSc1c[nH]c2c1nccc2 62a_100000189650_100009817151 [0,0,0,0,0,1|3,0,0]=4 708 B17R2.137 CC(=O)NCCSc1coc2c1cccc2 62a_100000189650_100009812202 [0,0,0,0,0,1|3,0,0]=4 709 B17R2.137 CC(=O)NCCSc1csc2c1cccc2 62a_100000189650_100009813928 [0,0,0,0,0,1|3,0,0]=4 710 B17R2.137 CC(=O)NCCSc1n[nH]c2c1cccc2 62a_100000189650_100000050141 [0,0,0,0,0,1|3,0,0]=4 711 B17R2.137 CC(=O)OCCOc1csc2c1cccc2 34a_100000077758_100009814007 [0,0,0,0,0,1|3,0,0]=4 712 B17R2.137 CC(=O)OCCOc1csc2c1cccc2 7a_100000077758_100009814007 [0,0,0,0,0,1|3,0,0]=4 713 B17R2.137 CC(=O)OCCSc1c[nH]c2c1cccn2 62a_100009814007_100011934613 [0,0,0,0,0,1|3,0,0]=4 714 B17R2.137 CC(=O)OCCSc1c[nH]c2c1ccnc2 62a_100009814007_100010232032 [0,0,0,0,0,1|3,0,0]=4 715 B17R2.137 CC(=O)OCCSc1c[nH]c2c1cncc2 62a_100009814007_100000753697 [0,0,0,0,0,1|3,0,0]=4 716 B17R2.137 CC(=O)OCCSc1c[nH]c2c1nccc2 62a_100009814007_100009817151 [0,0,0,0,0,1|3,0,0]=4 717 B17R2.137 CC(=O)OCCSc1coc2c1cccc2 62a_100009814007_100009812202 [0,0,0,0,0,1|3,0,0]=4 718 B17R2.137 CC(=O)OCCSc1csc2c1cccc2 62a_100009814007_100009813928 [0,0,0,0,0,1|3,0,0]=4 719 B17R2.137 CC(=O)OCCSc1n[nH]c2c1cccc2 62a_100009814007_100000050141 [0,0,0,0,0,1|3,0,0]=4 720 B17R2.137 CC(=O)OCNCc1csc2c1cccc2 34a_100000744611_100009813279 [0,0,0,0,0,1|3,0,0]=4 721 B17R2.137 CC(=O)OCOCc1csc2c1cccc2 34a_100011219454_100009813279 [0,0,0,0,0,1|3,0,0]=4 722 B17R2.137 CC(=O)OCSCc1csc2c1cccc2 62a_100000076356_200000742921 [0,0,0,0,0,1|3,0,0]=4 723 B17R2.137 CC(=O)OCSCc1csc2c1cccc2 62a_200000742921_100000076356 [0,0,0,0,0,1|3,0,0]=4 724 B17R2.137 CC(Br)COCCc1c[nH]c2c1cccc2 34a_100012180447_100011218569 [0,0,0,0,0,1|2,0,1]=4 725 B17R2.137 CC(C)CNCCc1c[nH]c2c1cccc2 2230a_100000210953_100011218569 [0,0,0,0,0,1|2,0,1]=4 726 B17R2.137 CC(C)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210760 [0,0,0,0,0,1|2,0,1]=4 727 B17R2.137 CC(C)CNCCc1c[nH]c2c1cccc2 270004a_100000211132_100000210432 [0,0,0,0,0,1|2,0,1]=4 728 B17R2.137 CC(C)CNCCc1c[nH]c2c1cccc2 34a_100000210953_100011218569 [0,0,0,0,0,1|2,0,1]=4 729 B17R2.137 CC(C)COCCc1c[nH]c2c1cccc2 34a_100000210257_100011218569 [0,0,0,0,0,1|2,0,1]=4 730 B17R2.137 CC(C)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000210624 [0,0,0,0,0,1|2,0,1]=4 731 B17R2.137 CC(C)CSCCc1c[nH]c2c1cccc2 62a_100000210624_100011218569 [0,0,0,0,0,1|2,0,1]=4 732 B17R2.137 CC(C)OCCCc1c[nH]c2c1cccc2 34a_100102524900_100000210206 [0,0,0,0,0,1|2,0,1]=4 733 B17R2.137 CC(F)COCCc1c[nH]c2c1cccc2 34a_100015925927_100011218569 [0,0,0,0,0,1|2,0,1]=4 734 B17R2.137 CC(O)CCCOc1csc2c1cccc2 34a_100000077758_200000718107 [0,0,0,0,0,1|2,0,1]=4 735 B17R2.137 CC(O)CCCOc1csc2c1cccc2 7a_100000077758_200000718107 [0,0,0,0,0,1|2,0,1]=4 736 B17R2.137 CC(O)CCCSc1c[nH]c2c1cccn2 62a_200000718107_100011934613 [0,0,0,0,0,1|2,0,1]=4 737 B17R2.137 CC(O)CCCSc1c[nH]c2c1ccnc2 62a_200000718107_100010232032 [0,0,0,0,0,1|2,0,1]=4 738 B17R2.137 CC(O)CCCSc1c[nH]c2c1cncc2 62a_200000718107_100000753697 [0,0,0,0,0,1|2,0,1]=4 739 B17R2.137 CC(O)CCCSc1c[nH]c2c1nccc2 62a_200000718107_100009817151 [0,0,0,0,0,1|2,0,1]=4 740 B17R2.137 CC(O)CCCSc1coc2c1cccc2 62a_200000718107_100009812202 [0,0,0,0,0,1|2,0,1]=4 741 B17R2.137 CC(O)CCCSc1csc2c1cccc2 62a_200000718107_100009813928 [0,0,0,0,0,1|2,0,1]=4 742 B17R2.137 CC(O)CCCSc1n[nH]c2c1cccc2 62a_200000718107_100000050141 [0,0,0,0,0,1|2,0,1]=4 743 B17R2.137 CC(O)CCNCc1c[nH]c2c1ccnc2 270004a_200000755665_100000087688 [0,0,0,0,0,1|2,0,1]=4 744 B17R2.137 CC(O)CCNCc1coc2c1cccc2 207a_200000755665_100000688544 [0,0,0,0,0,1|2,0,1]=4 745 B17R2.137 CC(O)CCNCc1coc2c1cccc2 270004a_200000755665_100000688544 [0,0,0,0,0,1|2,0,1]=4 746 B17R2.137 CC(O)CCNCc1csc2c1cccc2 207a_200000755665_100000239721 [0,0,0,0,0,1|2,0,1]=4 747 B17R2.137 CC(O)CCNCc1csc2c1cccc2 2230a_200000755665_200000742921 [0,0,0,0,0,1|2,0,1]=4 748 B17R2.137 CC(O)CCNCc1csc2c1cccc2 270004a_200000755665_100000239721 [0,0,0,0,0,1|2,0,1]=4 749 B17R2.137 CC(O)CCNCc1csc2c1cccc2 34a_100000744611_100012276601 [0,0,0,0,0,1|2,0,1]=4 750 B17R2.137 CC(O)CCNCc1n[nH]c2c1cccc2 207a_200000755665_100000059708 [0,0,0,0,0,1|2,0,1]=4 751 B17R2.137 CC(O)CCNCc1n[nH]c2c1cccc2 270004a_200000755665_100000059708 [0,0,0,0,0,1|2,0,1]=4 752 B17R2.137 CC(O)CCOCc1csc2c1cccc2 34a_100011219454_100012276601 [0,0,0,0,0,1|2,0,1]=4 753 B17R2.137 CC(O)CCSCc1csc2c1cccc2 62a_100012276601_200000742921 [0,0,0,0,0,1|2,0,1]=4 754 B17R2.137 CC(O)CCSCc1csc2c1cccc2 62a_200000742921_100012276601 [0,0,0,0,0,1|2,0,1]=4 755 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccc2 2230a_100000210904_100011218569 [0,0,0,0,0,1|1,0,1]=3 756 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011218427 [0,0,0,0,0,1|1,0,1]=3 757 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccc2 34a_100000210904_100011218569 [0,0,0,0,0,1|1,0,1]=3 758 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccn2 2230a_100000210904_100009895007 [0,0,0,0,0,1|2,0,1]=4 759 B17R2.137 CC(O)CNCCc1coc2c1cccc2 2230a_100011934666_100011218427 [0,0,0,0,0,1|2,0,1]=4 760 B17R2.137 CC(O)CNCCc1coc2c1cccc2 34a_100011934666_100011218427 [0,0,0,0,0,1|2,0,1]=4 761 B17R2.137 CC(O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100011218427 [0,0,0,0,0,1|1,0,1]=3 762 B17R2.137 CC(O)CSCCc1c[nH]c2c1cccc2 62a_100011218427_100011218569 [0,0,0,0,0,1|1,0,1]=3 763 B17R2.137 CC(O)CSCCc1c[nH]c2c1cccn2 62a_100011218427_100009895007 [0,0,0,0,0,1|2,0,1]=4 764 B17R2.137 C[C@@H](Cl)COCCc1c[nH]c2c1cccc2 34a_100016084084_100011218569 [0,0,0,0,0,1|2,0,1]=4 765 B17R2.137 C[C@@H](N)COCCc1c[nH]c2c1cccc2 34a_100000737577_100011218569 [0,0,0,0,0,1|2,0,1]=4 766 B17R2.137 C[C@@H](O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100009817552 [0,0,0,0,0,1|1,0,1]=3 767 B17R2.137 C[C@@H](O)CNCCc1coc2c1cccc2 2230a_100011934666_100009817552 [0,0,0,0,0,1|2,0,1]=4 768 B17R2.137 C[C@@H](O)CNCCc1coc2c1cccc2 34a_100011934666_100009817552 [0,0,0,0,0,1|2,0,1]=4 769 B17R2.137 C[C@@H](O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100009817552 [0,0,0,0,0,1|1,0,1]=3 770 B17R2.137 C[C@@H](O)CSCCc1c[nH]c2c1cccc2 62a_100009817552_100011218569 [0,0,0,0,0,1|1,0,1]=3 771 B17R2.137 C[C@@H](O)CSCCc1c[nH]c2c1cccn2 62a_100009817552_100009895007 [0,0,0,0,0,1|2,0,1]=4 772 B17R2.137 FC(F)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011934356 [0,0,0,0,0,1|2,0,1]=4 773 B17R2.137 FC(F)CNCCc1c[nH]c2c1cccc2 34a_100000765723_100011218569 [0,0,0,0,0,1|2,0,1]=4 774 B17R2.137 FC(F)COCCc1c[nH]c2c1cccc2 34a_100000743014_100011218569 [0,0,0,0,0,1|2,0,1]=4 775 B17R2.137 FC(F)COCCc1c[nH]c2c1cccc2 34a_100000752351_100011934356 [0,0,0,0,0,1|2,0,1]=4 776 B17R2.137 FC(F)CSCCc1c[nH]c2c1cccc2 62a_100011934356_100011218569 [0,0,0,0,0,1|2,0,1]=4 777 B17R2.137 NC(=O)CCCNc1n[nH]c2c1cccn2 27a_100000739312_100009818534 [0,0,0,0,0,1|3,0,0]=4 778 B17R2.137 NC(=O)CCCNc1n[nH]c2c1cncc2 27a_100000739312_100009820117 [0,0,0,0,0,1|3,0,0]=4 779 B17R2.137 NC(=O)CCCNc1n[nH]c2c1nccc2 27a_100000739312_100009817118 [0,0,0,0,0,1|3,0,0]=4 780 B17R2.137 NC(=O)CCCOc1csc2c1cccc2 34a_100000077758_100102525003 [0,0,0,0,0,1|2,0,0]=3 781 B17R2.137 NC(=O)CCCOc1csc2c1cccc2 7a_100000077758_100102525003 [0,0,0,0,0,1|2,0,0]=3 782 B17R2.137 NC(=O)CCCSc1c[nH]c2c1cccn2 62a_100102525003_100011934613 [0,0,0,0,0,1|2,0,0]=3 783 B17R2.137 NC(=O)CCCSc1c[nH]c2c1ccnc2 62a_100102525003_100010232032 [0,0,0,0,0,1|2,0,0]=3 784 B17R2.137 NC(=O)CCCSc1c[nH]c2c1cncc2 62a_100102525003_100000753697 [0,0,0,0,0,1|2,0,0]=3 785 B17R2.137 NC(=O)CCCSc1c[nH]c2c1cncn2 62a_100009817560_100102525003 [0,0,0,0,0,1|3,0,0]=4 786 B17R2.137 NC(=O)CCCSc1c[nH]c2c1cncn2 62a_100102525003_100000072862 [0,0,0,0,0,1|3,0,0]=4 787 B17R2.137 NC(=O)CCCSc1c[nH]c2c1nccc2 62a_100102525003_100009817151 [0,0,0,0,0,1|2,0,0]=3 788 B17R2.137 NC(=O)CCCSc1c[nH]c2c1nccn2 62a_100102525003_100009819587 [0,0,0,0,0,1|3,0,0]=4 789 B17R2.137 NC(=O)CCCSc1cnc2n1cccc2 62a_100102525003_100011219245 [0,0,0,0,0,1|2,0,1]=4 790 B17R2.137 NC(=O)CCCSc1cnn2c1cccc2 62a_100102525003_100009817726 [0,0,0,0,0,1|2,0,1]=4 791 B17R2.137 NC(=O)CCCSc1coc2c1cccc2 62a_100102525003_100009812202 [0,0,0,0,0,1|2,0,0]=3 792 B17R2.137 NC(=O)CCCSc1coc2c1nccc2 62a_100102525003_100009889148 [0,0,0,0,0,1|3,0,0]=4 793 B17R2.137 NC(=O)CCCSc1csc2c1cccc2 62a_100102525003_100009813928 [0,0,0,0,0,1|2,0,0]=3 794 B17R2.137 NC(=O)CCCSc1csc2c1cccn2 62a_100009830249_100102525003 [0,0,0,0,0,1|3,0,0]=4 795 B17R2.137 NC(=O)CCCSc1csc2c1cccn2 62a_100102525003_100009830249 [0,0,0,0,0,1|3,0,0]=4 796 B17R2.137 NC(=O)CCCSc1csc2c1ccnc2 62a_100009817111_100102525003 [0,0,0,0,0,1|3,0,0]=4 797 B17R2.137 NC(=O)CCCSc1csc2c1ccnc2 62a_100102525003_100009817111 [0,0,0,0,0,1|3,0,0]=4 798 B17R2.137 NC(=O)CCCSc1csc2c1cncc2 62a_100010247091_100102525003 [0,0,0,0,0,1|3,0,0]=4 799 B17R2.137 NC(=O)CCCSc1csc2c1cncc2 62a_100102525003_100010247091 [0,0,0,0,0,1|3,0,0]=4 800 B17R2.137 NC(=O)CCCSc1csc2c1nccc2 62a_100102525003_100010247092 [0,0,0,0,0,1|3,0,0]=4 801 B17R2.137 NC(=O)CCCSc1n[nH]c2c1cccc2 62a_100102525003_100000050141 [0,0,0,0,0,1|2,0,0]=3 802 B17R2.137 NC(=O)CCCSc1n[nH]c2c1cccn2 62a_100102525003_100009888962 [0,0,0,0,0,1|3,0,0]=4 803 B17R2.137 NC(=O)CCCSc1n[nH]c2c1ccnc2 62a_100102525003_100010244369 [0,0,0,0,0,1|3,0,0]=4 804 B17R2.137 NC(=O)CCCSc1n[nH]c2c1cncc2 62a_100102525003_100009820117 [0,0,0,0,0,1|3,0,0]=4 805 B17R2.137 NC(=O)CCCSc1n[nH]c2c1nccc2 62a_100102525003_100009817118 [0,0,0,0,0,1|3,0,0]=4 806 B17R2.137 NC(=O)CCCSc1noc2c1cccc2 62a_100102525003_200000703156 [0,0,0,0,0,1|3,0,0]=4 807 B17R2.137 NC(=O)CCCSc1noc2c1cccc2 62a_200000703156_100102525003 [0,0,0,0,0,1|3,0,0]=4 808 B17R2.137 NC(=O)CCNCc1cnc2n1cccc2 207a_100000740010_100000052358 [0,0,0,0,0,1|2,0,1]=4 809 B17R2.137 NC(=O)CCNCc1cnc2n1cccc2 2230a_100015187830_100000744528 [0,0,0,0,0,1|2,0,1]=4 810 B17R2.137 NC(=O)CCNCc1cnn2c1cccc2 207a_100000740010_100011787723 [0,0,0,0,0,1|2,0,1]=4 811 B17R2.137 NC(=O)CCNCc1coc2c1cccc2 207a_100000740010_100000688544 [0,0,0,0,0,1|2,0,0]=3 812 B17R2.137 NC(=O)CCNCc1csc2c1cccc2 207a_100000740010_100000239721 [0,0,0,0,0,1|2,0,0]=3 813 B17R2.137 NC(=O)CCNCc1csc2c1cccc2 34a_100000744611_100000731001 [0,0,0,0,0,1|2,0,0]=3 814 B17R2.137 NC(=O)CCNCc1n[nH]c2c1cccc2 207a_100000740010_100000059708 [0,0,0,0,0,1|2,0,0]=3 815 B17R2.137 NC(=O)CCOCc1csc2c1cccc2 34a_100000757172_200000742921 [0,0,0,0,0,1|2,0,0]=3 816 B17R2.137 NC(=O)CCOCc1csc2c1cccc2 34a_100011219454_100000731001 [0,0,0,0,0,1|2,0,0]=3 817 B17R2.137 NC(=O)CCOCc1noc2c1cccc2 34a_100000757172_100009813815 [0,0,0,0,0,1|3,0,0]=4 818 B17R2.137 NC(=O)CCOCc1noc2c1cccc2 7a_100000757172_100009813815 [0,0,0,0,0,1|3,0,0]=4 819 B17R2.137 NC(=O)CCSCc1csc2c1cccc2 62a_100000744528_200000742921 [0,0,0,0,0,1|2,0,0]=3 820 B17R2.137 NC(=O)CCSCc1csc2c1cccc2 62a_200000742921_100000744528 [0,0,0,0,0,1|2,0,0]=3 821 B17R2.137 NC(=O)CCSCc1noc2c1cccc2 62a_100000744528_100009813815 [0,0,0,0,0,1|3,0,0]=4 822 B17R2.137 NC(=O)CCSCc1noc2c1cccc2 62a_100009813815_100000744528 [0,0,0,0,0,1|3,0,0]=4 823 B17R2.137 NC(=O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000747473 [0,0,0,0,0,1|1,0,0]=2 824 B17R2.137 NC(=O)CNCCc1c[nH]c2c1cccc2 2230a_100000711301_100011218569 [0,0,0,0,0,1|1,0,0]=2 825 B17R2.137 NC(=O)CNCCc1c[nH]c2c1cccn2 2230a_100000711301_100009895007 [0,0,0,0,0,1|2,0,0]=3 826 B17R2.137 NC(=O)CNCCc1coc2c1cccc2 2230a_100011934666_100000747473 [0,0,0,0,0,1|2,0,0]=3 827 B17R2.137 NC(=O)CNCCc1coc2c1cccc2 34a_100011934666_100000187820 [0,0,0,0,0,1|2,0,0]=3 828 B17R2.137 NC(=O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000187820 [0,0,0,0,0,1|1,0,0]=2 829 B17R2.137 NC(=O)COCCn1ccc2c1cccc2 34a_100011926976_100000187820 [0,0,0,0,0,1|3,0,0]=4 830 B17R2.137 NC(=O)CSCCc1c[nH]c2c1cccc2 62a_100000747473_100011218569 [0,0,0,0,0,1|1,0,0]=2 831 B17R2.137 NC(=O)CSCCc1c[nH]c2c1cccn2 62a_100000747473_100009895007 [0,0,0,0,0,1|2,0,0]=3 832 B17R2.137 NC(=O)NCCOc1csc2c1cccc2 7a_100000077758_200000034859 [0,0,0,0,0,1|3,0,0]=4 833 B17R2.137 NC(=O)NCCSc1c[nH]c2c1cccn2 62a_200000034859_100011934613 [0,0,0,0,0,1|3,0,0]=4 834 B17R2.137 NC(=O)NCCSc1c[nH]c2c1ccnc2 62a_200000034859_100010232032 [0,0,0,0,0,1|3,0,0]=4 835 B17R2.137 NC(=O)NCCSc1c[nH]c2c1cncc2 62a_200000034859_100000753697 [0,0,0,0,0,1|3,0,0]=4 836 B17R2.137 NC(=O)NCCSc1c[nH]c2c1nccc2 62a_200000034859_100009817151 [0,0,0,0,0,1|3,0,0]=4 837 B17R2.137 NC(=O)NCCSc1coc2c1cccc2 62a_200000034859_100009812202 [0,0,0,0,0,1|3,0,0]=4 838 B17R2.137 NC(=O)NCCSc1csc2c1cccc2 62a_200000034859_100009813928 [0,0,0,0,0,1|3,0,0]=4 839 B17R2.137 NC(=O)NCCSc1n[nH]c2c1cccc2 62a_200000034859_100000050141 [0,0,0,0,0,1|3,0,0]=4 840 B17R2.137 NC(=O)OCCOc1csc2c1cccc2 34a_100000077758_200011214921 [0,0,0,0,0,1|3,0,0]=4 841 B17R2.137 NC(=O)OCCOc1csc2c1cccc2 7a_100000077758_200011214921 [0,0,0,0,0,1|3,0,0]=4 842 B17R2.137 NC(=O)OCCSc1c[nH]c2c1cccn2 62a_200011214921_100011934613 [0,0,0,0,0,1|3,0,0]=4 843 B17R2.137 NC(=O)OCCSc1c[nH]c2c1ccnc2 62a_200011214921_100010232032 [0,0,0,0,0,1|3,0,0]=4 844 B17R2.137 NC(=O)OCCSc1c[nH]c2c1cncc2 62a_200011214921_100000753697 [0,0,0,0,0,1|3,0,0]=4 845 B17R2.137 NC(=O)OCCSc1c[nH]c2c1nccc2 62a_200011214921_100009817151 [0,0,0,0,0,1|3,0,0]=4 846 B17R2.137 NC(=O)OCCSc1coc2c1cccc2 62a_200011214921_100009812202 [0,0,0,0,0,1|3,0,0]=4 847 B17R2.137 NC(=O)OCCSc1csc2c1cccc2 62a_200011214921_100009813928 [0,0,0,0,0,1|3,0,0]=4 848 B17R2.137 NC(=O)OCCSc1n[nH]c2c1cccc2 62a_200011214921_100000050141 [0,0,0,0,0,1|3,0,0]=4 849 B17R2.137 O=C(O)CNCCc1c[nH]c2c1cccc2 269956a_100016091260_100011218569 [0,0,0,0,0,1|0,0,0]=1 850 B17R2.137 O=C(O)CNCCc1c[nH]c2c1cccn2 269956a_100016091260_100009895007 [0,0,0,0,0,1|1,0,0]=2 851 B17R2.137 O=C(O)CONCc1csc2c1cccc2 269956a_100000106656_200000742921 [0,0,0,0,0,1|2,0,0]=3 852 B17R2.137 O=C(O)CONCc1noc2c1cccc2 269956a_100000106656_100009813815 [0,0,0,0,0,1|3,0,0]=4 853 B17R2.137 O=C([O-])CNCCc1coc2c1cccc2 34a_100011934666_100020667443 [0,0,0,0,0,1|1,0,1]=3 854 B17R2.137 O=C([O-])COCCc1c[nH]c2c1cccc2 34a_100000752351_100020667443 [0,0,0,0,0,1|0,0,1]=2 855 B17R2.137 O=C([O-])COCCn1ccc2c1cccc2 34a_100011926976_100020667443 [0,0,0,0,0,1|2,0,1]=4 856 B17R2.137 O=C([O-])CSCCc1c[nH]c2c1cccc2 62a_100020667443_100011218569 [0,0,0,0,0,1|0,0,1]=2 857 B17R2.137 O=C([O-])CSCCc1c[nH]c2c1cccn2 62a_100020667443_100009895007 [0,0,0,0,0,1|1,0,1]=3 858 B17R2.137 O=[N+]([O-])CNCCc1coc2c1cccc2 34a_100011934666_100000761209 [0,0,0,0,0,1|2,0,1]=4 859 B17R2.137 O=[N+]([O-])COCCc1c[nH]c2c1cccc2 34a_100000752351_100000761209 [0,0,0,0,0,1|1,0,1]=3 860 B17R2.5669 CC(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_200000210301 [0,0,0,0,0,1|2,0,0]=3 861 B17R2.5669 CC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000053229 [0,0,0,0,0,1|3,0,0]=4 862 B17R2.5669 CC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000053229 [0,0,0,0,0,1|3,0,0]=4 863 B17R2.5669 CC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000053229 [0,0,0,0,0,1|2,0,1]=4 864 B17R2.5669 CC(=O)CCSc1ccc2ccccc2c1 1458a_200000208815_200000210301 [0,0,0,0,0,1|3,0,0]=4 865 B17R2.5669 CC(=O)CCSc1ccc2ccccc2c1 62a_100000053229_100000233703 [0,0,0,0,0,1|3,0,0]=4 866 B17R2.5669 CC(=O)CCSc1ccc2ccccc2n1 62a_100000053229_100011291633 [0,0,0,0,0,1|3,0,0]=4 867 B17R2.5669 CC(=O)CCSc1ccc2ccccc2n1 62a_100011291633_100000053229 [0,0,0,0,0,1|3,0,0]=4 868 B17R2.5669 CC(=O)CCSc1cnc2ccccc2c1 62a_100000053229_100000737414 [0,0,0,0,0,1|2,0,1]=4 869 B17R2.5669 CC(=O)CCSc1cnc2ccccc2n1 62a_100000053229_100000756483 [0,0,0,0,0,1|2,0,1]=4 870 B17R2.5669 CC(=O)CCSc1cnc2ccccc2n1 62a_100000756483_100000053229 [0,0,0,0,0,1|2,0,1]=4 871 B17R2.5669 CC(=O)COCc1ccc2ccccc2c1 34a_100000211253_100011216711 [0,0,0,0,0,1|3,0,0]=4 872 B17R2.5669 CC(=O)COCc1ccc2ccccc2n1 34a_100000211253_100000737579 [0,0,0,0,0,1|3,0,0]=4 873 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 11a_100000746582_100015343762 [0,0,0,0,0,1|3,0,0]=4 874 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 1626a_100000746582_100015343762 [0,0,0,0,0,1|3,0,0]=4 875 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 240690a_100000746582_100015343762 [0,0,0,0,0,1|3,0,0]=4 876 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 527a_100000746582_100103153847 [0,0,0,0,0,1|3,0,0]=4 877 B17R2.5669 CC(=O)NCCc1ccc2ccccc2n1 11a_100011238595_100015343762 [0,0,0,0,0,1|3,0,0]=4 878 B17R2.5669 CC(=O)NCCc1ccc2ccccc2n1 1626a_100011238595_100015343762 [0,0,0,0,0,1|3,0,0]=4 879 B17R2.5669 CC(=O)NCCc1ccc2ccccc2n1 240690a_100011238595_100015343762 [0,0,0,0,0,1|3,0,0]=4 880 B17R2.5669 CC(=O)NCCc1ccc2ccccc2n1 527a_100011238595_100103153847 [0,0,0,0,0,1|3,0,0]=4 881 B17R2.5669 NC(=O)CCNc1ccc2ccccc2c1 34a_100000211940_100000731001 [0,0,0,0,0,1|3,0,0]=4 882 B17R2.5669 NC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000744528 [0,0,0,0,0,1|3,0,0]=4 883 B17R2.5669 NC(=O)CCNc1ccc2ccccc2n1 27a_100000740010_100011291633 [0,0,0,0,0,1|3,0,0]=4 884 B17R2.5669 NC(=O)CCNc1cnc2ccccc2n1 27a_100000740010_100000756483 [0,0,0,0,0,1|2,0,1]=4 885 B17R2.5669 NC(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100000731001 [0,0,0,0,0,1|3,0,0]=4 886 B17R2.5669 NC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000744528 [0,0,0,0,0,1|3,0,0]=4 887 B17R2.5669 NC(=O)CCOc1cnc2ccccc2c1 34a_100011934006_100000731001 [0,0,0,0,0,1|2,0,1]=4 888 B17R2.5669 NC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000744528 [0,0,0,0,0,1|2,0,1]=4 889 B17R2.5669 NC(=O)CCSc1ccc2ccccc2c1 62a_100000744528_100000233703 [0,0,0,0,0,1|3,0,0]=4 890 B17R2.5669 NC(=O)CCSc1ccc2ccccc2n1 62a_100000744528_100011291633 [0,0,0,0,0,1|3,0,0]=4 891 B17R2.5669 NC(=O)CCSc1ccc2ccccc2n1 62a_100011291633_100000744528 [0,0,0,0,0,1|3,0,0]=4 892 B17R2.5669 NC(=O)CCSc1cnc2ccccc2c1 62a_100000744528_100000737414 [0,0,0,0,0,1|2,0,1]=4 893 B17R2.5669 NC(=O)CCSc1cnc2ccccc2n1 62a_100000744528_100000756483 [0,0,0,0,0,1|2,0,1]=4 894 B17R2.5669 NC(=O)CCSc1cnc2ccccc2n1 62a_100000756483_100000744528 [0,0,0,0,0,1|2,0,1]=4 895 B17R2.5669 NC(=O)CNCc1ccc2ccccc2c1 2230a_100000711301_100011216711 [0,0,0,0,0,1|3,0,0]=4 896 B17R2.5669 NC(=O)CNCc1ccc2ccccc2c1 2230a_100000739491_100000747473 [0,0,0,0,0,1|3,0,0]=4 897 B17R2.5669 NC(=O)CNCc1ccc2ccccc2c1 34a_100000739491_100000187820 [0,0,0,0,0,1|3,0,0]=4 898 B17R2.5669 NC(=O)CNCc1ccc2ccccc2n1 2230a_100000711301_100000737579 [0,0,0,0,0,1|3,0,0]=4 899 B17R2.5669 NC(=O)CNCc1cnc2ccccc2c1 34a_100000742225_100000187820 [0,0,0,0,0,1|2,0,1]=4 900 B17R2.5669 NC(=O)COCc1ccc2ccccc2c1 34a_100011215330_100000187820 [0,0,0,0,0,1|3,0,0]=4 901 B17R2.5669 NC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000187820 [0,0,0,0,0,1|3,0,0]=4 902 B17R2.5669 NC(=O)COCc1cnc2ccccc2c1 34a_100011258773_100000187820 [0,0,0,0,0,1|2,0,1]=4 903 B17R2.5669 NC(=O)CSCc1ccc2ccccc2c1 62a_100000747473_100011216711 [0,0,0,0,0,1|3,0,0]=4 904 B17R2.5669 NC(=O)CSCc1ccc2ccccc2c1 62a_100011216711_100000747473 [0,0,0,0,0,1|3,0,0]=4 905 B17R2.5669 NC(=O)CSCc1ccc2ccccc2n1 62a_100000737579_100000747473 [0,0,0,0,0,1|3,0,0]=4 906 B17R2.5669 NC(=O)CSCc1ccc2ccccc2n1 62a_100000747473_100000737579 [0,0,0,0,0,1|3,0,0]=4 907 B17R2.5669 NC(=O)CSCc1cnc2ccccc2n1 62a_100000747473_200000751123 [0,0,0,0,0,1|2,0,1]=4 908 B17R2.5669 NC(=O)CSCc1cnc2ccccc2n1 62a_200000751123_100000747473 [0,0,0,0,0,1|2,0,1]=4 909 B17R2.5669 O=C(O)CNCc1cc2ccccc2cn1 269956a_100016091260_100009869231 [0,0,0,0,0,1|3,0,0]=4 910 B17R2.5669 O=C(O)CNCc1ccc2ccccc2c1 269956a_100016091260_100011216711 [0,0,0,0,0,1|2,0,0]=3 911 B17R2.5669 O=C(O)CNCc1ccc2ccccc2n1 269956a_100016091260_100000737579 [0,0,0,0,0,1|2,0,0]=3 912 B17R2.5669 O=C(O)CNCc1ccc2cnccc2c1 269956a_100016091260_100020605334 [0,0,0,0,0,1|3,0,0]=4 913 B17R2.5669 O=C(O)CNCc1ccc2ncccc2c1 269956a_100016091260_100000703657 [0,0,0,0,0,1|3,0,0]=4 914 B17R2.5669 O=C([O-])CNCc1ccc2ccccc2c1 34a_100000739491_100020667443 [0,0,0,0,0,1|2,0,1]=4 915 B17R2.5669 O=C([O-])CNCc1cnc2ccccc2c1 34a_100000742225_100020667443 [0,0,0,0,0,1|1,0,2]=4 916 B17R2.5669 O=C([O-])COCc1ccc2ccccc2c1 34a_100011215330_100020667443 [0,0,0,0,0,1|2,0,1]=4 917 B17R2.5669 O=C([O-])COCc1cnc2ccccc2c1 34a_100011258773_100020667443 [0,0,0,0,0,1|1,0,2]=4 918 B17R2.5669 O=C([O-])CSCc1ccc2ccccc2c1 62a_100011216711_100020667443 [0,0,0,0,0,1|2,0,1]=4 919 B17R2.5669 O=C([O-])CSCc1ccc2ccccc2c1 62a_100020667443_100011216711 [0,0,0,0,0,1|2,0,1]=4 920 B17R2.5669 O=C([O-])CSCc1ccc2ccccc2n1 62a_100000737579_100020667443 [0,0,0,0,0,1|2,0,1]=4 921 B17R2.5669 O=C([O-])CSCc1ccc2ccccc2n1 62a_100020667443_100000737579 [0,0,0,0,0,1|2,0,1]=4 922 B17R2.5669 O=C([O-])CSCc1cnc2ccccc2n1 62a_100020667443_200000751123 [0,0,0,0,0,1|1,0,2]=4 923 B17R2.5669 O=C([O-])CSCc1cnc2ccccc2n1 62a_200000751123_100020667443 [0,0,0,0,0,1|1,0,2]=4 924 B17R2.5669 [13CH3]C(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_200025704644 [0,0,0,0,0,1|2,0,0]=3 925 B17R2.5669 [13CH3]C(=O)CCSc1ccc2ccccc2c1 1458a_200000208815_200025704644 [0,0,0,0,0,1|3,0,0]=4 926 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 1458a_100000070787_100000745918 [0,0,0,0,0,1|3,0,0]=4 927 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 1458a_100000737181_200000210301 [0,0,0,0,0,1|3,0,0]=4 928 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000053229 [0,0,0,0,0,1|3,0,0]=4 929 B17R2.291558 CC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000053229 [0,0,0,0,0,1|2,0,1]=4 930 B17R2.291558 CC(=O)CCSc1cccc2c1cccc2 62a_100000053229_100000210605 [0,0,0,0,0,1|3,0,0]=4 931 B17R2.291558 CC(=O)CCSc1ccnc2c1cccc2 62a_100000053229_100011215880 [0,0,0,0,0,1|2,0,1]=4 932 B17R2.291558 CC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000053229 [0,0,0,0,0,1|2,0,1]=4 933 B17R2.291558 CC(=O)CCSc1cncc2c1cccc2 62a_100000053229_100000187577 [0,0,0,0,0,1|2,0,1]=4 934 B17R2.291558 CC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000053229 [0,0,0,0,0,1|2,0,1]=4 935 B17R2.291558 CC(=O)CCSc1cnnc2c1cccc2 62a_100000053229_100000063506 [0,0,0,0,0,1|2,0,1]=4 936 B17R2.291558 CC(=O)CCSc1nccc2c1cccc2 62a_100000053229_100011934041 [0,0,0,0,0,1|3,0,0]=4 937 B17R2.291558 CC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000053229 [0,0,0,0,0,1|3,0,0]=4 938 B17R2.291558 CC(=O)CCSc1ncnc2c1cccc2 62a_100000053229_100000217608 [0,0,0,0,0,1|2,0,1]=4 939 B17R2.291558 CC(=O)CCSc1ncnc2c1cccc2 62a_100000753007_100000053229 [0,0,0,0,0,1|2,0,1]=4 940 B17R2.291558 CC(=O)COCc1cccc2c1cccc2 34a_100000211253_100011261445 [0,0,0,0,0,1|3,0,0]=4 941 B17R2.291558 CC(=O)COCc1ccnc2c1cccc2 34a_100000211253_100015192512 [0,0,0,0,0,1|2,0,1]=4 942 B17R2.291558 CC(=O)COCc1nccc2c1cccc2 34a_100000211253_100000033776 [0,0,0,0,0,1|3,0,0]=4 943 B17R2.291558 CC(=O)CSCc1cccc2c1cccc2 1458a_200000150182_200000210301 [0,0,0,0,0,1|3,0,0]=4 944 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 11a_100000751862_100015343762 [0,0,0,0,0,1|3,0,0]=4 945 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 1626a_100000751862_100015343762 [0,0,0,0,0,1|3,0,0]=4 946 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 240690a_100000751862_100015343762 [0,0,0,0,0,1|3,0,0]=4 947 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 527a_100000751862_100103153847 [0,0,0,0,0,1|3,0,0]=4 948 B17R2.291558 NC(=O)CCNc1cccc2c1cccc2 34a_100000185869_100000731001 [0,0,0,0,0,1|3,0,0]=4 949 B17R2.291558 NC(=O)CCNc1ccnc2c1cccc2 27a_100000740010_100011215880 [0,0,0,0,0,1|2,0,1]=4 950 B17R2.291558 NC(=O)CCNc1cnnc2c1cccc2 27a_100000740010_100000063506 [0,0,0,0,0,1|2,0,1]=4 951 B17R2.291558 NC(=O)CCNc1nccc2c1cccc2 27a_100000740010_100011934041 [0,0,0,0,0,1|3,0,0]=4 952 B17R2.291558 NC(=O)CCNc1ncnc2c1cccc2 27a_100000740010_100000217608 [0,0,0,0,0,1|2,0,1]=4 953 B17R2.291558 NC(=O)CCOc1cccc2c1cccc2 34a_100000210388_100000731001 [0,0,0,0,0,1|3,0,0]=4 954 B17R2.291558 NC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000744528 [0,0,0,0,0,1|3,0,0]=4 955 B17R2.291558 NC(=O)CCOc1cncc2c1cccc2 34a_100000066178_100000731001 [0,0,0,0,0,1|2,0,1]=4 956 B17R2.291558 NC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000744528 [0,0,0,0,0,1|2,0,1]=4 957 B17R2.291558 NC(=O)CCOc1nccc2c1cccc2 34a_102531767632_100000731001 [0,0,0,0,0,1|3,0,0]=4 958 B17R2.291558 NC(=O)CCSc1cccc2c1cccc2 62a_100000744528_100000210605 [0,0,0,0,0,1|3,0,0]=4 959 B17R2.291558 NC(=O)CCSc1ccnc2c1cccc2 62a_100000744528_100011215880 [0,0,0,0,0,1|2,0,1]=4 960 B17R2.291558 NC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000744528 [0,0,0,0,0,1|2,0,1]=4 961 B17R2.291558 NC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000744528 [0,0,0,0,0,1|2,0,1]=4 962 B17R2.291558 NC(=O)CCSc1cncc2c1cccc2 62a_100000744528_100000187577 [0,0,0,0,0,1|2,0,1]=4 963 B17R2.291558 NC(=O)CCSc1cnnc2c1cccc2 62a_100000744528_100000063506 [0,0,0,0,0,1|2,0,1]=4 964 B17R2.291558 NC(=O)CCSc1nccc2c1cccc2 62a_100000744528_100011934041 [0,0,0,0,0,1|3,0,0]=4 965 B17R2.291558 NC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000744528 [0,0,0,0,0,1|3,0,0]=4 966 B17R2.291558 NC(=O)CCSc1ncnc2c1cccc2 62a_100000744528_100000217608 [0,0,0,0,0,1|2,0,1]=4 967 B17R2.291558 NC(=O)CCSc1ncnc2c1cccc2 62a_100000753007_100000744528 [0,0,0,0,0,1|2,0,1]=4 968 B17R2.291558 NC(=O)CNCc1cccc2c1cccc2 2230a_100000711301_100011261445 [0,0,0,0,0,1|3,0,0]=4 969 B17R2.291558 NC(=O)CNCc1cccc2c1cccc2 34a_100000753325_100000187820 [0,0,0,0,0,1|3,0,0]=4 970 B17R2.291558 NC(=O)CNCc1ccnc2c1cccc2 2230a_100000711301_100015192512 [0,0,0,0,0,1|2,0,1]=4 971 B17R2.291558 NC(=O)CNCc1nccc2c1cccc2 2230a_100000711301_100000033776 [0,0,0,0,0,1|3,0,0]=4 972 B17R2.291558 NC(=O)COCc1cccc2c1cccc2 34a_100011216843_100000187820 [0,0,0,0,0,1|3,0,0]=4 973 B17R2.291558 NC(=O)COCc1cccc2c1cccc2 7a_100011216843_100000187820 [0,0,0,0,0,1|3,0,0]=4 974 B17R2.291558 NC(=O)CSCc1cccc2c1cccc2 62a_100000747473_100000188474 [0,0,0,0,0,1|3,0,0]=4 975 B17R2.291558 NC(=O)CSCc1cccc2c1cccc2 62a_100011261445_100000747473 [0,0,0,0,0,1|3,0,0]=4 976 B17R2.291558 NC(=O)CSCc1ccnc2c1cccc2 62a_100000747473_100015192512 [0,0,0,0,0,1|2,0,1]=4 977 B17R2.291558 NC(=O)CSCc1ccnc2c1cccc2 62a_100015192512_100000747473 [0,0,0,0,0,1|2,0,1]=4 978 B17R2.291558 NC(=O)CSCc1nccc2c1cccc2 62a_100000033776_100000747473 [0,0,0,0,0,1|3,0,0]=4 979 B17R2.291558 NC(=O)CSCc1nccc2c1cccc2 62a_100000747473_100000033776 [0,0,0,0,0,1|3,0,0]=4 980 B17R2.291558 O=C(O)CNCc1cccc2c1cccc2 269956a_100016091260_100000188474 [0,0,0,0,0,1|2,0,0]=3 981 B17R2.291558 O=C(O)CNCc1cccc2c1ccnc2 269956a_100016091260_100016989825 [0,0,0,0,0,1|3,0,0]=4 982 B17R2.291558 O=C(O)CNCc1cccc2c1nccc2 269956a_100016091260_100000241032 [0,0,0,0,0,1|3,0,0]=4 983 B17R2.291558 O=C(O)CNCc1ccnc2c1cccc2 269956a_100016091260_100015192512 [0,0,0,0,0,1|1,0,1]=3 984 B17R2.291558 O=C(O)CNCc1nccc2c1cccc2 269956a_100016091260_100000033776 [0,0,0,0,0,1|2,0,0]=3 985 B17R2.291558 O=C([O-])CNCc1cccc2c1cccc2 34a_100000753325_100020667443 [0,0,0,0,0,1|2,0,1]=4 986 B17R2.291558 O=C([O-])COCc1cccc2c1cccc2 34a_100011216843_100020667443 [0,0,0,0,0,1|2,0,1]=4 987 B17R2.291558 O=C([O-])CSCc1cccc2c1cccc2 62a_100011261445_100020667443 [0,0,0,0,0,1|2,0,1]=4 988 B17R2.291558 O=C([O-])CSCc1cccc2c1cccc2 62a_100020667443_100000188474 [0,0,0,0,0,1|2,0,1]=4 989 B17R2.291558 O=C([O-])CSCc1ccnc2c1cccc2 62a_100015192512_100020667443 [0,0,0,0,0,1|1,0,2]=4 990 B17R2.291558 O=C([O-])CSCc1ccnc2c1cccc2 62a_100020667443_100015192512 [0,0,0,0,0,1|1,0,2]=4 991 B17R2.291558 O=C([O-])CSCc1nccc2c1cccc2 62a_100000033776_100020667443 [0,0,0,0,0,1|2,0,1]=4 992 B17R2.291558 O=C([O-])CSCc1nccc2c1cccc2 62a_100020667443_100000033776 [0,0,0,0,0,1|2,0,1]=4 993 B17R2.291558 [13CH3]C(=O)CCOc1cccc2c1cccc2 1458a_100000737181_200025704644 [0,0,0,0,0,1|3,0,0]=4 994 B17R2.291558 [13CH3]C(=O)CSCc1cccc2c1cccc2 1458a_200000150182_200025704644 [0,0,0,0,0,1|3,0,0]=4 995 B14R1.159 CC(=O)CCCOc1ccccc1N 34a_100000185747_100000685027 [1,0,1,0,0,0|2,0,0]=4 996 B14R1.159 CC(=O)CCCOc1ccccc1N 7a_100000185747_100011215641 [1,0,1,0,0,0|2,0,0]=4 997 B14R1.159 CC(=O)CCCSc1ccccc1N 62a_100000210017_100011215641 [1,0,1,0,0,0|2,0,0]=4 998 B14R1.159 CC(=O)CCCSc1ccccc1N 62a_100011215641_100000210017 [1,0,1,0,0,0|2,0,0]=4 999 B14R1.159 NC(=O)CCCOc1ccccc1N 34a_100000185747_100102525003 [1,0,1,0,0,0|2,0,0]=4 1000 B14R1.159 NC(=O)CCCOc1ccccc1N 7a_100000185747_100102525003 [1,0,1,0,0,0|2,0,0]=4 1001 B14R1.159 NC(=O)CCCSc1ccccc1N 62a_100000210017_100102525003 [1,0,1,0,0,0|2,0,0]=4 1002 B14R1.159 NC(=O)CCCSc1ccccc1N 62a_100102525003_100000210017 [1,0,1,0,0,0|2,0,0]=4 1003 B14R1.476 C=Cc1ccccc1SCCCC=O 62a_100011218376_200011292268 [1,0,1,0,0,0|2,0,0]=4 1004 B14R1.476 C=Cc1ccccc1SCCCC=O 62a_200011292268_100011218376 [1,0,1,0,0,0|2,0,0]=4 1005 B14R1.476 CNc1ccccc1SCCCC=O 62a_100020606079_200011292268 [1,0,1,0,0,0|1,0,1]=4 1006 B14R1.476 CNc1ccccc1SCCCC=O 62a_200011292268_100020606079 [1,0,1,0,0,0|1,0,1]=4 1007 B14R1.476 NNc1ccccc1SCCCC=O 62a_100000241748_200011292268 [1,0,1,0,0,0|2,0,0]=4 1008 B14R1.476 NNc1ccccc1SCCCC=O 62a_200011292268_100000241748 [1,0,1,0,0,0|2,0,0]=4 1009 B14R1.123 OCCCCC=NNc1ccccc1 4a_100015195140_100000031955 [1,0,1,0,0,0|1,0,1]=4 1010 B14R1.420 C=C(CCCC(=O)C)c1ccccc1 1458a_200009911520_200000210301 [1,0,1,0,0,0|1,0,0]=3 1011 B14R1.420 C=C(CCCC(=O)[13CH3])c1ccccc1 1458a_200009911520_200025704644 [1,0,1,0,0,0|1,0,0]=3 1012 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000070787_100000211006 [1,0,1,0,0,0|2,0,0]=4 1013 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215641 [1,0,1,0,0,0|2,0,0]=4 1014 B14R1.420 NC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100102525003 [1,0,1,0,0,0|2,0,0]=4 1015 B14R1.420 O=C(O)CNCC(=O)c1ccccc1 269956a_100016091260_100000211460 [1,0,1,0,0,0|2,0,0]=4 1016 B14R2.3 CCCCc1c[nH]c2c1cccn2 271570a_100020621405_100011934613 [2,0,0,0,0,0|1,0,1]=4 1017 B14R2.3 CCCCc1c[nH]c2c1ccnc2 271570a_100020621405_100010232032 [2,0,0,0,0,0|1,0,1]=4 1018 B14R2.3 CCCCc1c[nH]c2c1cncc2 271570a_100020621405_100011934843 [2,0,0,0,0,0|1,0,1]=4 1019 B14R2.3 CCCCc1c[nH]c2c1nccc2 271570a_100020621405_100009817151 [2,0,0,0,0,0|1,0,1]=4 1020 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [2,0,0,0,0,0|1,0,1]=4 1021 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [2,0,0,0,0,0|1,0,1]=4 1022 B14R2.3 CCCCc1n[nH]c2c1cccc2 271570a_100020621405_100000050141 [2,0,0,0,0,0|1,0,1]=4 1023 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_100000211132_200000210301 [2,0,0,0,0,0|1,0,1]=4 1024 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_106832991635_100011218569 [2,0,0,0,0,0|1,0,1]=4 1025 B14R2.3 CNCCc1c[nH]c2c1cccc2 34a_100102657272_100011218569 [2,0,0,0,0,0|1,0,1]=4 1026 B14R2.3 CNCCc1c[nH]c2c1cccc2 7a_106832991635_100011218569 [2,0,0,0,0,0|1,0,1]=4 1027 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100000752351_200000210301 [2,0,0,0,0,0|1,0,1]=4 1028 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100138415774_100011218569 [2,0,0,0,0,0|1,0,1]=4 1029 B14R2.3 CSCCc1c[nH]c2c1cccc2 62a_200000210301_100011218569 [2,0,0,0,0,0|1,0,1]=4 1030 B14R2.3 O=CCOc1csc2c1cccc2 34a_100000077758_200009817547 [2,0,0,0,0,0|2,0,0]=4 1031 B14R2.3 O=CCOc1csc2c1cccc2 7a_100000077758_200015260668 [2,0,0,0,0,0|2,0,0]=4 1032 B14R2.3 O=CCSc1c[nH]c2c1cccn2 62a_200015260668_100011934613 [2,0,0,0,0,0|2,0,0]=4 1033 B14R2.3 O=CCSc1c[nH]c2c1ccnc2 62a_200015260668_100010232032 [2,0,0,0,0,0|2,0,0]=4 1034 B14R2.3 O=CCSc1c[nH]c2c1cncc2 62a_200015260668_100000753697 [2,0,0,0,0,0|2,0,0]=4 1035 B14R2.3 O=CCSc1c[nH]c2c1nccc2 62a_200015260668_100009817151 [2,0,0,0,0,0|2,0,0]=4 1036 B14R2.3 O=CCSc1coc2c1cccc2 62a_200015260668_100009812202 [2,0,0,0,0,0|2,0,0]=4 1037 B14R2.3 O=CCSc1csc2c1cccc2 62a_200015260668_100009813928 [2,0,0,0,0,0|2,0,0]=4 1038 B14R2.3 O=CCSc1n[nH]c2c1cccc2 62a_200015260668_100000050141 [2,0,0,0,0,0|2,0,0]=4 1039 B14R2.3 OCCOc1csc2c1cccc2 34a_100000077758_100000211926 [2,0,0,0,0,0|2,0,0]=4 1040 B14R2.3 OCCOc1csc2c1cccc2 7a_100000077758_100000211926 [2,0,0,0,0,0|2,0,0]=4 1041 B14R2.3 OCCSc1c[nH]c2c1cccn2 62a_100000211926_100011934613 [2,0,0,0,0,0|2,0,0]=4 1042 B14R2.3 OCCSc1c[nH]c2c1ccnc2 62a_100000211926_100010232032 [2,0,0,0,0,0|2,0,0]=4 1043 B14R2.3 OCCSc1c[nH]c2c1cncc2 62a_100000211926_100000753697 [2,0,0,0,0,0|2,0,0]=4 1044 B14R2.3 OCCSc1c[nH]c2c1nccc2 62a_100000211926_100009817151 [2,0,0,0,0,0|2,0,0]=4 1045 B14R2.3 OCCSc1coc2c1cccc2 62a_100000211926_100009812202 [2,0,0,0,0,0|2,0,0]=4 1046 B14R2.3 OCCSc1csc2c1cccc2 62a_100000211926_100009813928 [2,0,0,0,0,0|2,0,0]=4 1047 B14R2.3 OCCSc1n[nH]c2c1cccc2 62a_100000211926_100000050141 [2,0,0,0,0,0|2,0,0]=4 1048 B14R2.3 [13CH3]NCCc1c[nH]c2c1cccc2 2230a_100000211132_200025704644 [2,0,0,0,0,0|1,0,1]=4 1049 B14R2.3 [13CH3]OCCc1c[nH]c2c1cccc2 34a_100000752351_200025704644 [2,0,0,0,0,0|1,0,1]=4 1050 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccc2 62a_200025704644_100011218569 [2,0,0,0,0,0|1,0,1]=4 1051 B16R1.695 CC(=O)CCCSc1ccccc1NC=O 62a_100011215641_200020615051 [0,1,1,0,0,0|2,0,0]=4 1052 B16R1.695 CC(=O)CCCSc1ccccc1NC=O 62a_200020615051_100011215641 [0,1,1,0,0,0|2,0,0]=4 1053 B16R1.695 NC(=O)CCCSc1ccccc1NC=O 62a_100102525003_200020615051 [0,1,1,0,0,0|2,0,0]=4 1054 B16R1.695 NC(=O)CCCSc1ccccc1NC=O 62a_200020615051_100102525003 [0,1,1,0,0,0|2,0,0]=4 1055 B16R1.3910 C=Cc1ccccc1NCCCC(=O)OC 34a_100012022501_100000742333 [0,1,1,0,0,0|2,0,0]=4 1056 B16R1.3910 C=Cc1ccccc1SCCCC(=O)OC 62a_100011218270_100011218376 [0,1,1,0,0,0|2,0,0]=4 1057 B16R1.3910 C=Cc1ccccc1SCCCC(=O)OC 62a_100011218376_100011218270 [0,1,1,0,0,0|2,0,0]=4 1058 B16R1.3910 CNc1ccccc1OCCCC(=O)OC 34a_100000033821_100000742333 [0,1,1,0,0,0|1,0,1]=4 1059 B16R1.3910 CNc1ccccc1SCCCC(=O)OC 62a_100011218270_100020606079 [0,1,1,0,0,0|1,0,1]=4 1060 B16R1.3910 CNc1ccccc1SCCCC(=O)OC 62a_100020606079_100011218270 [0,1,1,0,0,0|1,0,1]=4 1061 B16R1.3910 COC(=O)CCCSc1ccccc1NN 62a_100000241748_100011218270 [0,1,1,0,0,0|2,0,0]=4 1062 B16R1.3910 COC(=O)CCCSc1ccccc1NN 62a_100011218270_100000241748 [0,1,1,0,0,0|2,0,0]=4 1063 B16R1.18704 C=Cc1ccccc1C(=O)CCCC(=O)C 1458a_100011830265_100011215641 [0,1,1,0,0,0|2,0,0]=4 1064 B16R1.18704 C=Cc1ccccc1C(=O)CCCC(=O)N 1458a_100011830265_100102525003 [0,1,1,0,0,0|2,0,0]=4 1065 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215641 [0,1,1,0,0,0|2,0,0]=4 1066 B16R1.608 NC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100102525003 [0,1,1,0,0,0|2,0,0]=4 1067 B16R1.610 O=C(O)CNCCC(=O)Nc1ccccc1 269956a_100016091260_100000242058 [0,1,1,0,0,0|1,0,1]=4 1068 B16R1.1166 COC(=O)CCCC=NNc1ccccc1 4a_100015195140_100000094087 [0,1,1,0,0,0|1,0,0]=3 1069 B16R1.1166 COC(=O)CCCC=NNc1ccccn1 4a_100000183288_100000094087 [0,1,1,0,0,0|2,0,0]=4 1070 B16R1.1166 COC(=O)CCCC=NNc1cccnc1 4a_100000728903_100000094087 [0,1,1,0,0,0|2,0,0]=4 1071 B16R1.1166 COC(=O)CCCC=NNc1ccncc1 4a_100000698918_100000094087 [0,1,1,0,0,0|2,0,0]=4 1072 B16R1.1166 COC(=O)CCCCCNc1ccccc1 34a_100000106764_100009816466 [0,1,1,0,0,0|0,0,2]=4 1073 B16R1.16971 COC(=O)CCCC(=O)c1ccccc1Br 1458a_100000188424_100011218270 [0,1,1,0,0,0|2,0,0]=4 1074 B16R1.16971 COC(=O)CCCC(=O)c1ccccc1C 1458a_100000212026_100011218270 [0,1,1,0,0,0|2,0,0]=4 1075 B16R1.16971 COC(=O)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100011218270 [0,1,1,0,0,0|2,0,0]=4 1076 B16R1.16971 COC(=O)CCCC(=O)c1ccccc1F 1458a_100000188656_100011218270 [0,1,1,0,0,0|2,0,0]=4 1077 B16R1.16971 COC(=O)CCCC(=O)c1ccccc1I 1458a_100000187884_100011218270 [0,1,1,0,0,0|2,0,0]=4 1078 B16R1.16971 COC(=O)CCCC(=O)c1ccccc1O 1458a_100015234032_100011218270 [0,1,1,0,0,0|2,0,0]=4 1079 B16R1.16971 COC(=O)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011218270 [0,1,1,0,0,0|2,0,0]=4 1080 B16R2.5 C=CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210623 [1,1,0,0,0,0|1,0,1]=4 1081 B16R2.5 O=C(CCO)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000211926 [1,1,0,0,0,0|0,0,2]=4 1082 B16R2.6 BrCCOCCc1c[nH]c2c1cccc2 34a_100000211926_100011218569 [1,1,0,0,0,0|1,0,1]=4 1083 B16R2.6 C#CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000038162 [1,1,0,0,0,0|1,0,1]=4 1084 B16R2.6 C#CCNCCc1c[nH]c2c1cccc2 34a_100000212058_100011218569 [1,1,0,0,0,0|1,0,1]=4 1085 B16R2.6 C#CCOCCc1c[nH]c2c1cccc2 34a_100000210247_100011218569 [1,1,0,0,0,0|1,0,1]=4 1086 B16R2.6 C#CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000184674 [1,1,0,0,0,0|1,0,1]=4 1087 B16R2.6 C#CCSCCc1c[nH]c2c1cccc2 62a_100000038162_100011218569 [1,1,0,0,0,0|1,0,1]=4 1088 B16R2.6 C=CCCCOc1csc2c1cccc2 34a_100000077758_100000757094 [1,1,0,0,0,0|2,0,0]=4 1089 B16R2.6 C=CCCCOc1csc2c1cccc2 7a_100000077758_100000757094 [1,1,0,0,0,0|2,0,0]=4 1090 B16R2.6 C=CCCCSc1c[nH]c2c1cccn2 62a_100011713584_100011934613 [1,1,0,0,0,0|2,0,0]=4 1091 B16R2.6 C=CCCCSc1c[nH]c2c1ccnc2 62a_100011713584_100010232032 [1,1,0,0,0,0|2,0,0]=4 1092 B16R2.6 C=CCCCSc1c[nH]c2c1cncc2 62a_100011713584_100000753697 [1,1,0,0,0,0|2,0,0]=4 1093 B16R2.6 C=CCCCSc1c[nH]c2c1nccc2 62a_100011713584_100009817151 [1,1,0,0,0,0|2,0,0]=4 1094 B16R2.6 C=CCCCSc1coc2c1cccc2 62a_100011713584_100009812202 [1,1,0,0,0,0|2,0,0]=4 1095 B16R2.6 C=CCCCSc1csc2c1cccc2 62a_100011713584_100009813928 [1,1,0,0,0,0|2,0,0]=4 1096 B16R2.6 C=CCCCSc1n[nH]c2c1cccc2 62a_100011713584_100000050141 [1,1,0,0,0,0|2,0,0]=4 1097 B16R2.6 C=CCCNCc1c[nH]c2c1ccnc2 270004a_100015191253_100000087688 [1,1,0,0,0,0|2,0,0]=4 1098 B16R2.6 C=CCCNCc1coc2c1cccc2 207a_100015191253_100000688544 [1,1,0,0,0,0|2,0,0]=4 1099 B16R2.6 C=CCCNCc1coc2c1cccc2 270004a_100015191253_100000688544 [1,1,0,0,0,0|2,0,0]=4 1100 B16R2.6 C=CCCNCc1csc2c1cccc2 207a_100015191253_100000239721 [1,1,0,0,0,0|2,0,0]=4 1101 B16R2.6 C=CCCNCc1csc2c1cccc2 2230a_100015191253_200000742921 [1,1,0,0,0,0|2,0,0]=4 1102 B16R2.6 C=CCCNCc1csc2c1cccc2 270004a_100015191253_100000239721 [1,1,0,0,0,0|2,0,0]=4 1103 B16R2.6 C=CCCNCc1csc2c1cccc2 34a_100000744611_100000754431 [1,1,0,0,0,0|2,0,0]=4 1104 B16R2.6 C=CCCNCc1n[nH]c2c1cccc2 207a_100015191253_100000059708 [1,1,0,0,0,0|2,0,0]=4 1105 B16R2.6 C=CCCNCc1n[nH]c2c1cccc2 270004a_100015191253_100000059708 [1,1,0,0,0,0|2,0,0]=4 1106 B16R2.6 C=CCCOCc1csc2c1cccc2 34a_100011205117_200000742921 [1,1,0,0,0,0|2,0,0]=4 1107 B16R2.6 C=CCCOCc1csc2c1cccc2 34a_100011219454_100000754431 [1,1,0,0,0,0|2,0,0]=4 1108 B16R2.6 C=CCCSCc1csc2c1cccc2 62a_100000754431_200000742921 [1,1,0,0,0,0|2,0,0]=4 1109 B16R2.6 C=CCCSCc1csc2c1cccc2 62a_200000742921_100000754431 [1,1,0,0,0,0|2,0,0]=4 1110 B16R2.6 C=CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210623 [1,1,0,0,0,0|1,0,0]=3 1111 B16R2.6 C=CCNCCc1c[nH]c2c1cccc2 2230a_100020586998_100011218569 [1,1,0,0,0,0|1,0,0]=3 1112 B16R2.6 C=CCNCCc1c[nH]c2c1cccn2 2230a_100020586998_100009895007 [1,1,0,0,0,0|2,0,0]=4 1113 B16R2.6 C=CCNCCc1coc2c1cccc2 2230a_100011934666_100000210623 [1,1,0,0,0,0|2,0,0]=4 1114 B16R2.6 C=CCNCCc1coc2c1cccc2 34a_100011934666_100015514636 [1,1,0,0,0,0|2,0,0]=4 1115 B16R2.6 C=CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100015514636 [1,1,0,0,0,0|1,0,0]=3 1116 B16R2.6 C=CCOCCc1c[nH]c2c1cccc2 34a_200000210373_100011218569 [1,1,0,0,0,0|1,0,0]=3 1117 B16R2.6 C=CCSCCc1c[nH]c2c1cccc2 62a_100000210623_100011218569 [1,1,0,0,0,0|1,0,0]=3 1118 B16R2.6 C=CCSCCc1c[nH]c2c1cccn2 62a_100000210623_100009895007 [1,1,0,0,0,0|2,0,0]=4 1119 B16R2.6 CCCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210303 [1,1,0,0,0,0|1,0,1]=4 1120 B16R2.6 CCCOCCc1c[nH]c2c1cccc2 34a_100000210258_100011218569 [1,1,0,0,0,0|1,0,1]=4 1121 B16R2.6 CCCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000210303 [1,1,0,0,0,0|1,0,1]=4 1122 B16R2.6 CCCSCCc1c[nH]c2c1cccc2 62a_100000210303_100011218569 [1,1,0,0,0,0|1,0,1]=4 1123 B16R2.6 CCOCCCc1c[nH]c2c1cccc2 34a_100102524900_100000210202 [1,1,0,0,0,0|1,0,1]=4 1124 B16R2.6 COCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000766300 [1,1,0,0,0,0|1,0,1]=4 1125 B16R2.6 COCSCCc1c[nH]c2c1cccc2 62a_100000766300_100011218569 [1,1,0,0,0,0|1,0,1]=4 1126 B16R2.6 CSCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011218213 [1,1,0,0,0,0|2,0,0]=4 1127 B16R2.6 CSCOCCc1c[nH]c2c1cccc2 34a_100000752351_100011218213 [1,1,0,0,0,0|2,0,0]=4 1128 B16R2.6 CSCSCCc1c[nH]c2c1cccc2 62a_100011218213_100011218569 [1,1,0,0,0,0|2,0,0]=4 1129 B16R2.6 FCCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011217306 [1,1,0,0,0,0|1,0,1]=4 1130 B16R2.6 FCCNCCc1c[nH]c2c1cccc2 34a_100000724931_100011218569 [1,1,0,0,0,0|1,0,1]=4 1131 B16R2.6 FCCOCCc1c[nH]c2c1cccc2 34a_100000752351_100011217306 [1,1,0,0,0,0|1,0,1]=4 1132 B16R2.6 FCCSCCc1c[nH]c2c1cccc2 62a_100011217306_100011218569 [1,1,0,0,0,0|1,0,1]=4 1133 B16R2.6 FCOCCCc1c[nH]c2c1cccc2 34a_100102524900_100015361967 [1,1,0,0,0,0|1,0,1]=4 1134 B16R2.6 N#CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011215382 [1,1,0,0,0,0|1,0,1]=4 1135 B16R2.6 N#CCSCCc1c[nH]c2c1cccc2 62a_100011215382_100011218569 [1,1,0,0,0,0|1,0,1]=4 1136 B16R2.6 NCCOCCc1c[nH]c2c1cccc2 34a_100000210304_100011218569 [1,1,0,0,0,0|1,0,1]=4 1137 B16R2.6 O=CCCCOc1csc2c1cccc2 7a_100000077758_200011292268 [1,1,0,0,0,0|1,0,0]=3 1138 B16R2.6 O=CCCCSc1c[nH]c2c1cccn2 62a_200011292268_100011934613 [1,1,0,0,0,0|1,0,0]=3 1139 B16R2.6 O=CCCCSc1c[nH]c2c1ccnc2 62a_200011292268_100010232032 [1,1,0,0,0,0|1,0,0]=3 1140 B16R2.6 O=CCCCSc1c[nH]c2c1cncc2 62a_200011292268_100000753697 [1,1,0,0,0,0|1,0,0]=3 1141 B16R2.6 O=CCCCSc1c[nH]c2c1cncn2 62a_100009817560_200011292268 [1,1,0,0,0,0|2,0,0]=4 1142 B16R2.6 O=CCCCSc1c[nH]c2c1cncn2 62a_200011292268_100000072862 [1,1,0,0,0,0|2,0,0]=4 1143 B16R2.6 O=CCCCSc1c[nH]c2c1nccc2 62a_200011292268_100009817151 [1,1,0,0,0,0|1,0,0]=3 1144 B16R2.6 O=CCCCSc1c[nH]c2c1nccn2 62a_200011292268_100009819587 [1,1,0,0,0,0|2,0,0]=4 1145 B16R2.6 O=CCCCSc1cnc2n1cccc2 62a_200011292268_100011219245 [1,1,0,0,0,0|1,0,1]=4 1146 B16R2.6 O=CCCCSc1cnn2c1cccc2 62a_200011292268_100009817726 [1,1,0,0,0,0|1,0,1]=4 1147 B16R2.6 O=CCCCSc1coc2c1cccc2 62a_200011292268_100009812202 [1,1,0,0,0,0|1,0,0]=3 1148 B16R2.6 O=CCCCSc1coc2c1nccc2 62a_200011292268_100009889148 [1,1,0,0,0,0|2,0,0]=4 1149 B16R2.6 O=CCCCSc1csc2c1cccc2 62a_200011292268_100009813928 [1,1,0,0,0,0|1,0,0]=3 1150 B16R2.6 O=CCCCSc1csc2c1cccn2 62a_100009830249_200011292268 [1,1,0,0,0,0|2,0,0]=4 1151 B16R2.6 O=CCCCSc1csc2c1cccn2 62a_200011292268_100009830249 [1,1,0,0,0,0|2,0,0]=4 1152 B16R2.6 O=CCCCSc1csc2c1ccnc2 62a_100009817111_200011292268 [1,1,0,0,0,0|2,0,0]=4 1153 B16R2.6 O=CCCCSc1csc2c1ccnc2 62a_200011292268_100009817111 [1,1,0,0,0,0|2,0,0]=4 1154 B16R2.6 O=CCCCSc1csc2c1cncc2 62a_100010247091_200011292268 [1,1,0,0,0,0|2,0,0]=4 1155 B16R2.6 O=CCCCSc1csc2c1cncc2 62a_200011292268_100010247091 [1,1,0,0,0,0|2,0,0]=4 1156 B16R2.6 O=CCCCSc1csc2c1nccc2 62a_200011292268_100010247092 [1,1,0,0,0,0|2,0,0]=4 1157 B16R2.6 O=CCCCSc1n[nH]c2c1cccc2 62a_200011292268_100000050141 [1,1,0,0,0,0|1,0,0]=3 1158 B16R2.6 O=CCCCSc1n[nH]c2c1cccn2 62a_200011292268_100009888962 [1,1,0,0,0,0|2,0,0]=4 1159 B16R2.6 O=CCCCSc1n[nH]c2c1ccnc2 62a_200011292268_100010244369 [1,1,0,0,0,0|2,0,0]=4 1160 B16R2.6 O=CCCCSc1n[nH]c2c1cncc2 62a_200011292268_100009820117 [1,1,0,0,0,0|2,0,0]=4 1161 B16R2.6 O=CCCCSc1n[nH]c2c1nccc2 62a_200011292268_100009817118 [1,1,0,0,0,0|2,0,0]=4 1162 B16R2.6 O=CCCCSc1noc2c1cccc2 62a_200000703156_200011292268 [1,1,0,0,0,0|2,0,0]=4 1163 B16R2.6 O=CCCCSc1noc2c1cccc2 62a_200011292268_200000703156 [1,1,0,0,0,0|2,0,0]=4 1164 B16R2.6 O=CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_200015260668 [1,1,0,0,0,0|0,0,0]=2 1165 B16R2.6 O=CCNCCc1coc2c1cccc2 2230a_100011934666_200015260668 [1,1,0,0,0,0|1,0,0]=3 1166 B16R2.6 O=CCNCCc1coc2c1cccc2 34a_100011934666_200009817547 [1,1,0,0,0,0|1,0,0]=3 1167 B16R2.6 O=CCOCCc1c[nH]c2c1cccc2 34a_100000752351_200009817547 [1,1,0,0,0,0|0,0,0]=2 1168 B16R2.6 O=CCOCCn1ccc2c1cccc2 34a_100011926976_200009817547 [1,1,0,0,0,0|2,0,0]=4 1169 B16R2.6 O=CCSCCc1c[nH]c2c1cccc2 62a_200015260668_100011218569 [1,1,0,0,0,0|0,0,0]=2 1170 B16R2.6 O=CCSCCc1c[nH]c2c1cccn2 62a_200015260668_100009895007 [1,1,0,0,0,0|1,0,0]=3 1171 B16R2.6 OCCCCOc1csc2c1cccc2 34a_100000077758_100011216708 [1,1,0,0,0,0|1,0,1]=4 1172 B16R2.6 OCCCCOc1csc2c1cccc2 7a_100000077758_100000210776 [1,1,0,0,0,0|1,0,1]=4 1173 B16R2.6 OCCCCSc1c[nH]c2c1cccn2 62a_100000210776_100011934613 [1,1,0,0,0,0|1,0,1]=4 1174 B16R2.6 OCCCCSc1c[nH]c2c1ccnc2 62a_100000210776_100010232032 [1,1,0,0,0,0|1,0,1]=4 1175 B16R2.6 OCCCCSc1c[nH]c2c1cncc2 62a_100000210776_100000753697 [1,1,0,0,0,0|1,0,1]=4 1176 B16R2.6 OCCCCSc1c[nH]c2c1nccc2 62a_100000210776_100009817151 [1,1,0,0,0,0|1,0,1]=4 1177 B16R2.6 OCCCCSc1coc2c1cccc2 62a_100000210776_100009812202 [1,1,0,0,0,0|1,0,1]=4 1178 B16R2.6 OCCCCSc1csc2c1cccc2 62a_100000210776_100009813928 [1,1,0,0,0,0|1,0,1]=4 1179 B16R2.6 OCCCCSc1n[nH]c2c1cccc2 62a_100000210776_100000050141 [1,1,0,0,0,0|1,0,1]=4 1180 B16R2.6 OCCCNCc1c[nH]c2c1ccnc2 270004a_100000182051_100000087688 [1,1,0,0,0,0|1,0,1]=4 1181 B16R2.6 OCCCNCc1coc2c1cccc2 207a_100000182051_100000688544 [1,1,0,0,0,0|1,0,1]=4 1182 B16R2.6 OCCCNCc1coc2c1cccc2 270004a_100000182051_100000688544 [1,1,0,0,0,0|1,0,1]=4 1183 B16R2.6 OCCCNCc1csc2c1cccc2 207a_100000182051_100000239721 [1,1,0,0,0,0|1,0,1]=4 1184 B16R2.6 OCCCNCc1csc2c1cccc2 270004a_100000182051_100000239721 [1,1,0,0,0,0|1,0,1]=4 1185 B16R2.6 OCCCNCc1csc2c1cccc2 34a_100000744611_100000230001 [1,1,0,0,0,0|1,0,1]=4 1186 B16R2.6 OCCCNCc1n[nH]c2c1cccc2 207a_100000182051_100000059708 [1,1,0,0,0,0|1,0,1]=4 1187 B16R2.6 OCCCNCc1n[nH]c2c1cccc2 270004a_100000182051_100000059708 [1,1,0,0,0,0|1,0,1]=4 1188 B16R2.6 OCCCOCc1csc2c1cccc2 34a_100011219454_100000230001 [1,1,0,0,0,0|1,0,1]=4 1189 B16R2.6 OCCCSCc1csc2c1cccc2 62a_100011215043_200000742921 [1,1,0,0,0,0|1,0,1]=4 1190 B16R2.6 OCCCSCc1csc2c1cccc2 62a_200000742921_100011215043 [1,1,0,0,0,0|1,0,1]=4 1191 B16R2.6 OCCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000211926 [1,1,0,0,0,0|0,0,1]=3 1192 B16R2.6 OCCNCCc1c[nH]c2c1cccc2 2230a_100016997473_100011218569 [1,1,0,0,0,0|0,0,1]=3 1193 B16R2.6 OCCNCCc1c[nH]c2c1cccc2 34a_100016990907_100011218569 [1,1,0,0,0,0|0,0,1]=3 1194 B16R2.6 OCCNCCc1c[nH]c2c1cccn2 2230a_100016997473_100009895007 [1,1,0,0,0,0|1,0,1]=4 1195 B16R2.6 OCCNCCc1coc2c1cccc2 2230a_100011934666_100000211926 [1,1,0,0,0,0|1,0,1]=4 1196 B16R2.6 OCCNCCc1coc2c1cccc2 34a_100011934666_100000211926 [1,1,0,0,0,0|1,0,1]=4 1197 B16R2.6 OCCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000211926 [1,1,0,0,0,0|0,0,1]=3 1198 B16R2.6 OCCSCCc1c[nH]c2c1cccc2 62a_100000211926_100011218569 [1,1,0,0,0,0|0,0,1]=3 1199 B16R2.6 OCCSCCc1c[nH]c2c1cccn2 62a_100000211926_100009895007 [1,1,0,0,0,0|1,0,1]=4 1200 B16R2.14 C=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000185746_100011218569 [1,1,0,0,0,0|1,0,1]=4 1201 B16R2.14 CNC(C)CCc1c[nH]c2c1cccc2 270004a_106832991635_100102524982 [1,1,0,0,0,0|2,0,0]=4 1202 B16R2.14 O=C(CO)CCc1c[nH]c2c1cccc2 1458a_100000210174_100011218569 [1,1,0,0,0,0|0,0,2]=4 1203 B16R2.149 C=CCNCc1c[nH]c2c1cccc2Br 270004a_100020586998_100009814786 [1,1,0,0,0,0|2,0,0]=4 1204 B16R2.149 C=CCNCc1c[nH]c2c1cccc2C 270004a_100020586998_100000040139 [1,1,0,0,0,0|2,0,0]=4 1205 B16R2.149 C=CCNCc1c[nH]c2c1cccc2Cl 270004a_100020586998_100011361501 [1,1,0,0,0,0|2,0,0]=4 1206 B16R2.149 Cc1cccc2c1[nH]cc2CNCCO 270004a_100000210304_100000040139 [1,1,0,0,0,0|1,0,1]=4 1207 B16R2.149 OCCNCc1c[nH]c2c1cccc2Br 270004a_100000210304_100009814786 [1,1,0,0,0,0|1,0,1]=4 1208 B16R2.149 OCCNCc1c[nH]c2c1cccc2Cl 270004a_100000210304_100011361501 [1,1,0,0,0,0|1,0,1]=4 1209 B16R2.6329 C=CCNCc1cn(c2c1cccc2)C 34a_100011997738_100015514636 [1,1,0,0,0,0|2,0,0]=4 1210 B16R2.6329 Cn1cc(c2c1cccc2)CNCC=O 34a_100011997738_200009817547 [1,1,0,0,0,0|1,0,0]=3 1211 B16R2.6329 Cn1cc(c2c1cccc2)CNCCO 34a_100011997738_100000211926 [1,1,0,0,0,0|1,0,1]=4 1212 B16R2.6329 Cn1nc(c2c1cccc2)CNCC=O 34a_200011934655_200009817547 [1,1,0,0,0,0|2,0,0]=4 1213 B16R2.6329 Cn1nc(c2c1cccc2)COCC=O 34a_100011934675_200009817547 [1,1,0,0,0,0|2,0,0]=4 1214 B16R2.205493 COCCCc1c[nH]c2c1cc(cc2)Br 34a_100102583652_200000210301 [1,1,0,0,0,0|2,0,0]=4 1215 B16R2.205493 O=CCOCc1csc2c1cc(cc2)Cl 34a_200000043707_200009817547 [1,1,0,0,0,0|2,0,0]=4 1216 B16R2.205493 O=CCOCc1csc2c1cc(cc2)Cl 7a_200000043707_200015260668 [1,1,0,0,0,0|2,0,0]=4 1217 B16R2.205493 O=CCSCc1csc2c1cc(cc2)Cl 62a_100009814428_200015260668 [1,1,0,0,0,0|2,0,0]=4 1218 B16R2.205493 O=CCSCc1csc2c1cc(cc2)Cl 62a_200015260668_100009814428 [1,1,0,0,0,0|2,0,0]=4 1219 B16R2.205493 O=CCSCc1csc2c1cc(cc2)F 62a_100010109839_200015260668 [1,1,0,0,0,0|2,0,0]=4 1220 B16R2.205493 O=CCSCc1csc2c1cc(cc2)F 62a_200015260668_100010109839 [1,1,0,0,0,0|2,0,0]=4 1221 B16R2.205493 [13CH3]OCCCc1c[nH]c2c1cc(cc2)Br 34a_100102583652_200025704644 [1,1,0,0,0,0|2,0,0]=4 1222 B16R2.520 CC(=O)CC(=O)c1c[nH]c2c1cccc2 1458a_100000070787_100000183220 [0,1,0,0,1,0|1,0,1]=4 1223 B16R2.4003 CC(=O)CCn1c(=O)[nH]c2c1cccc2 1458a_100000070787_203549783246 [0,1,0,0,1,0|2,0,0]=4 1224 B16R2.4003 O=C(O)CNC1C(=O)Nc2c1cccc2 269956a_100016091260_200009996675 [0,1,0,0,1,0|1,0,1]=4 1225 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [0,1,0,0,1,0|1,0,0]=3 1226 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [0,1,0,0,1,0|1,0,0]=3 1227 B16R2.104522 CC(=O)CCc1cn(c2c1cccc2)C 1458a_100000686839_200000210301 [0,1,0,0,1,0|1,0,0]=3 1228 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 11a_100011997738_100015343762 [0,1,0,0,1,0|2,0,0]=4 1229 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 1626a_100011997738_100015343762 [0,1,0,0,1,0|2,0,0]=4 1230 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 240690a_100011997738_100015343762 [0,1,0,0,1,0|2,0,0]=4 1231 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 527a_100011997738_100103153847 [0,1,0,0,1,0|2,0,0]=4 1232 B16R2.104522 Cn1cc(c2c1cccc2)CCC(=O)[13CH3] 1458a_100000686839_200025704644 [0,1,0,0,1,0|1,0,0]=3 1233 B18R2.11 C=C(C)CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000730704 [0,1,0,0,0,1|2,0,0]=4 1234 B18R2.11 CC(O)CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100012276601 [0,1,0,0,0,1|1,0,1]=4 1235 B18R2.11 CC(O)CNC(C)Cc1c[nH]c2c1cccc2 270004a_100000210904_100000030300 [0,1,0,0,0,1|1,0,1]=4 1236 B18R2.11 CN(CCC(=O)N)Cc1c[nH]c2c1ccnc2 270004a_100000730477_100000087688 [0,1,0,0,0,1|2,0,0]=4 1237 B18R2.11 CN(CCC(=O)N)Cc1coc2c1cccc2 270004a_100000730477_100000688544 [0,1,0,0,0,1|2,0,0]=4 1238 B18R2.11 CN(CCC(=O)N)Cc1csc2c1cccc2 2230a_100000730477_200000742921 [0,1,0,0,0,1|2,0,0]=4 1239 B18R2.11 CN(CCC(=O)N)Cc1csc2c1cccc2 270004a_100000730477_100000239721 [0,1,0,0,0,1|2,0,0]=4 1240 B18R2.11 CN(CCC(=O)N)Cc1n[nH]c2c1cccc2 270004a_100000730477_100000059708 [0,1,0,0,0,1|2,0,0]=4 1241 B18R2.11 NC(=O)CCC(=O)Cc1csc2c1cccc2 1458a_100011215257_200000742921 [0,1,0,0,0,1|2,0,0]=4 1242 B18R2.11 NC(=O)CNC(=O)Cc1c[nH]c2c1cccc2 11a_100000711301_100000183835 [0,1,0,0,0,1|1,0,1]=4 1243 B18R2.11 NC(=O)CNC(=O)Cc1c[nH]c2c1cccc2 240690a_100000711301_100000183835 [0,1,0,0,0,1|1,0,1]=4 1244 B18R2.11 NC(=O)CNC(=O)Cc1c[nH]c2c1cccc2 527a_100000711301_100000183835 [0,1,0,0,0,1|1,0,1]=4 1245 B18R2.178 C=C(C)CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000748629 [0,1,0,0,0,1|2,0,0]=4 1246 B18R2.178 C=C(C)CN(C)CCc1c[nH]c2c1cccc2 2230a_100000225649_100011218569 [0,1,0,0,0,1|2,0,0]=4 1247 B18R2.178 C=C(C)CN(C)CCc1c[nH]c2c1cccc2 269982a_100000225649_100011218569 [0,1,0,0,0,1|2,0,0]=4 1248 B18R2.178 C=C(F)CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100009893438 [0,1,0,0,0,1|2,0,0]=4 1249 B18R2.178 CC(O)CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100011218427 [0,1,0,0,0,1|1,0,1]=4 1250 B18R2.178 CC(O)CN(C)CCc1c[nH]c2c1cccc2 2230a_100000227577_100011218569 [0,1,0,0,0,1|1,0,1]=4 1251 B18R2.178 CC(O)CN(C)CCc1c[nH]c2c1cccc2 269982a_100000227577_100011218569 [0,1,0,0,0,1|1,0,1]=4 1252 B18R2.178 CN(CCc1c[nH]c2c1cccc2)CC(=O)N 2230a_100000739694_100011218569 [0,1,0,0,0,1|1,0,0]=3 1253 B18R2.178 CN(CCc1c[nH]c2c1cccc2)CC(=O)O 269956a_100000746989_100011218569 [0,1,0,0,0,1|0,0,0]=2 1254 B18R2.178 CN(CCc1c[nH]c2c1cccn2)CC(=O)N 2230a_100000739694_100009895007 [0,1,0,0,0,1|2,0,0]=4 1255 B18R2.178 CN(CCc1c[nH]c2c1cccn2)CC(=O)O 269956a_100000746989_100009895007 [0,1,0,0,0,1|1,0,0]=3 1256 B18R2.178 C[C@@H](O)CC(=O)CCc1c[nH]c2c1cccc2 1458a_100011933948_100011218569 [0,1,0,0,0,1|1,0,1]=4 1257 B18R2.178 NC(=O)CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000187820 [0,1,0,0,0,1|1,0,0]=3 1258 B18R2.178 NC(=O)CC(=O)CCc1c[nH]c2c1cccc2 1458a_100134613110_100011218569 [0,1,0,0,0,1|1,0,0]=3 1259 B18R2.178 NC(=O)CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000187820 [0,1,0,0,0,1|2,0,0]=4 1260 B18R2.178 NC(=O)CC(=O)CCc1c[nH]c2c1cccn2 1458a_100134613110_100009895007 [0,1,0,0,0,1|2,0,0]=4 1261 B18R2.178 NC(=O)CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100134613110 [0,1,0,0,0,1|1,0,1]=4 1262 B18R2.178 NC(=O)CC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100134613110 [0,1,0,0,0,1|1,0,1]=4 1263 B18R2.178 O=C(CCc1c[nH]c2c1cccc2)C[N+](=O)[O-] 1458a_100000211458_100000761209 [0,1,0,0,0,1|1,0,1]=4 1264 B18R2.178 O=C([O-])CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100020667443 [0,1,0,0,0,1|0,0,1]=3 1265 B18R2.178 O=C([O-])CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100020667443 [0,1,0,0,0,1|1,0,1]=4 1266 B18R2.179 C=C(C)C(C)NCCc1c[nH]c2c1cccc2 269862a_100000211132_100011216138 [0,1,0,0,0,1|2,0,0]=4 1267 B18R2.179 CC(=O)C(C)COCc1csc2c1cccc2 34a_100000032740_200000742921 [0,1,0,0,0,1|2,0,0]=4 1268 B18R2.179 CC(=O)C(C)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100009814033 [0,1,0,0,0,1|1,0,0]=3 1269 B18R2.179 CC(=O)C(C)NCCc1coc2c1cccc2 2230a_100011934666_100009814033 [0,1,0,0,0,1|2,0,0]=4 1270 B18R2.179 CC(=O)C(C)OCCc1c[nH]c2c1cccc2 34a_100000212229_100011218569 [0,1,0,0,0,1|1,0,0]=3 1271 B18R2.179 CC(=O)C(C)SCCc1c[nH]c2c1cccc2 62a_100009814033_100011218569 [0,1,0,0,0,1|1,0,0]=3 1272 B18R2.179 CC(=O)C(C)SCCc1c[nH]c2c1cccn2 62a_100009814033_100009895007 [0,1,0,0,0,1|2,0,0]=4 1273 B18R2.179 CC(CNCc1csc2c1cccc2)C(=O)O 269956a_100000749485_200000742921 [0,1,0,0,0,1|1,0,0]=3 1274 B18R2.179 CC(CNCc1noc2c1cccc2)C(=O)O 269956a_100000749485_100009813815 [0,1,0,0,0,1|2,0,0]=4 1275 B18R2.179 CC(NCCc1c[nH]c2c1cccc2)C(=O)N 2230a_100000211132_100000702099 [0,1,0,0,0,1|1,0,0]=3 1276 B18R2.179 CC(NCCc1coc2c1cccc2)C(=O)N 2230a_100011934666_100000702099 [0,1,0,0,0,1|2,0,0]=4 1277 B18R2.179 CC(NCCc1coc2c1cccc2)C(=O)N 34a_100011934666_100000702099 [0,1,0,0,0,1|2,0,0]=4 1278 B18R2.179 CC(OCCc1c[nH]c2c1cccc2)C(=O)N 34a_100000752351_100000702099 [0,1,0,0,0,1|1,0,0]=3 1279 B18R2.179 CC(SCCc1c[nH]c2c1cccc2)C(=O)N 62a_100000702099_100011218569 [0,1,0,0,0,1|1,0,0]=3 1280 B18R2.179 CC(SCCc1c[nH]c2c1cccn2)C(=O)N 62a_100000702099_100009895007 [0,1,0,0,0,1|2,0,0]=4 1281 B18R2.179 C[C@@H](NCCc1c[nH]c2c1cccc2)C(=O)N 2230a_100000119354_100011218569 [0,1,0,0,0,1|1,0,0]=3 1282 B18R2.179 C[C@@H](NCCc1c[nH]c2c1cccc2)C(=O)N 34a_100000119354_100011218569 [0,1,0,0,0,1|1,0,0]=3 1283 B18R2.179 C[C@@H](NCCc1c[nH]c2c1cccn2)C(=O)N 2230a_100000119354_100009895007 [0,1,0,0,0,1|2,0,0]=4 1284 B18R2.179 C[C@@H](OCCc1c[nH]c2c1cccc2)C(=O)N 34a_100000731257_100011218569 [0,1,0,0,0,1|1,0,0]=3 1285 B18R2.179 C[C@@H](OCCc1c[nH]c2c1cccc2)C(=O)N 7a_100000731257_100011218569 [0,1,0,0,0,1|1,0,0]=3 1286 B18R2.179 C[C@@H](OCCc1c[nH]c2c1cccn2)C(=O)N 7a_100000731257_100009895007 [0,1,0,0,0,1|2,0,0]=4 1287 B18R2.179 C[C@H](NCCc1c[nH]c2c1cccc2)C(=O)O 269956a_100000743915_100011218569 [0,1,0,0,0,1|0,0,0]=2 1288 B18R2.179 C[C@H](NCCc1c[nH]c2c1cccn2)C(=O)O 269956a_100000743915_100009895007 [0,1,0,0,0,1|1,0,0]=3 1289 B18R2.179 C[C@H](OCCc1c[nH]c2c1cccc2)C(=O)[O-] 7a_217856618621_100011218569 [0,1,0,0,0,1|0,0,1]=3 1290 B18R2.179 C[C@H](OCCc1c[nH]c2c1cccn2)C(=O)[O-] 7a_217856618621_100009895007 [0,1,0,0,0,1|1,0,1]=4 1291 B18R2.179 NC(=O)C(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100011215815 [0,1,0,0,0,1|1,0,1]=4 1292 B18R2.179 NC(=O)C(F)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100009813875 [0,1,0,0,0,1|1,0,0]=3 1293 B18R2.179 NC(=O)C(F)NCCc1coc2c1cccc2 2230a_100011934666_100009813875 [0,1,0,0,0,1|2,0,0]=4 1294 B18R2.179 NC(=O)C(F)NCCc1coc2c1cccc2 34a_100011934666_100009813875 [0,1,0,0,0,1|2,0,0]=4 1295 B18R2.179 NC(=O)C(F)OCCc1c[nH]c2c1cccc2 34a_100000752351_100009813875 [0,1,0,0,0,1|1,0,0]=3 1296 B18R2.179 NC(=O)C(F)SCCc1c[nH]c2c1cccc2 62a_100009813875_100011218569 [0,1,0,0,0,1|1,0,0]=3 1297 B18R2.179 NC(=O)C(F)SCCc1c[nH]c2c1cccn2 62a_100009813875_100009895007 [0,1,0,0,0,1|2,0,0]=4 1298 B18R2.179 NC(=O)[C@@H](N)COCc1csc2c1cccc2 34a_100000729942_200000742921 [0,1,0,0,0,1|2,0,0]=4 1299 B18R2.179 O=C(O)C(F)CNCc1csc2c1cccc2 269956a_100000084737_200000742921 [0,1,0,0,0,1|1,0,0]=3 1300 B18R2.179 O=C(O)C(F)CNCc1noc2c1cccc2 269956a_100000084737_100009813815 [0,1,0,0,0,1|2,0,0]=4 1301 B18R2.179 O=C([O-])C(F)NCCc1coc2c1cccc2 34a_100011934666_100020610796 [0,1,0,0,0,1|1,0,1]=4 1302 B18R2.179 O=C([O-])C(F)OCCc1c[nH]c2c1cccc2 34a_100000752351_100020610796 [0,1,0,0,0,1|0,0,1]=3 1303 B18R2.179 O=C([O-])C(F)SCCc1c[nH]c2c1cccc2 62a_100020610796_100011218569 [0,1,0,0,0,1|0,0,1]=3 1304 B18R2.179 O=C([O-])C(F)SCCc1c[nH]c2c1cccn2 62a_100020610796_100009895007 [0,1,0,0,0,1|1,0,1]=4 1305 B18R2.375 C=C(C#N)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000694840 [0,1,0,0,0,1|2,0,0]=4 1306 B18R2.375 C=C(C#N)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000694840 [0,1,0,0,0,1|2,0,0]=4 1307 B18R2.375 C=CC(=O)NCCCc1c[nH]c2c1cccc2 240690a_100102525078_200121576911 [0,1,0,0,0,1|1,0,0]=3 1308 B18R2.375 C=CC(O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000730141 [0,1,0,0,0,1|1,0,1]=4 1309 B18R2.375 C=CC(O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000730141 [0,1,0,0,0,1|1,0,1]=4 1310 B18R2.375 C=CC(O)CSCCc1c[nH]c2c1cccc2 62a_100000730141_100011218569 [0,1,0,0,0,1|1,0,1]=4 1311 B18R2.375 CC(CO)CNCCc1c[nH]c2c1cccc2 34a_100000744482_100011218569 [0,1,0,0,0,1|1,0,1]=4 1312 B18R2.375 CC(CO)OCCCc1c[nH]c2c1cccc2 34a_100102524900_100012180447 [0,1,0,0,0,1|1,0,1]=4 1313 B18R2.375 CCC(=O)COCCc1c[nH]c2c1cccc2 34a_100000725409_100011218569 [0,1,0,0,0,1|1,0,0]=3 1314 B18R2.375 CCC(=O)CSCCc1c[nH]c2c1cccc2 62a_100000747405_100011218569 [0,1,0,0,0,1|1,0,0]=3 1315 B18R2.375 CCC(=O)CSCCc1c[nH]c2c1cccn2 62a_100000747405_100009895007 [0,1,0,0,0,1|2,0,0]=4 1316 B18R2.375 CCC(=O)NCCCc1c[nH]c2c1cccc2 240690a_100102525078_100000210414 [0,1,0,0,0,1|1,0,0]=3 1317 B18R2.375 CCC(=O)NCCCc1c[nH]c2c1cccc2 527a_100102525078_100000210414 [0,1,0,0,0,1|1,0,0]=3 1318 B18R2.375 CCC(O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011218378 [0,1,0,0,0,1|1,0,1]=4 1319 B18R2.375 CCC(O)CNCCc1c[nH]c2c1cccc2 2230a_100011218483_100011218569 [0,1,0,0,0,1|1,0,1]=4 1320 B18R2.375 CCC(O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100011218378 [0,1,0,0,0,1|1,0,1]=4 1321 B18R2.375 CCC(O)CSCCc1c[nH]c2c1cccc2 62a_100011218378_100011218569 [0,1,0,0,0,1|1,0,1]=4 1322 B18R2.375 CNC(=O)CCCOc1csc2c1cccc2 34a_100000077758_100000741757 [0,1,0,0,0,1|2,0,0]=4 1323 B18R2.375 CNC(=O)CCCOc1csc2c1cccc2 7a_100000077758_100000741757 [0,1,0,0,0,1|2,0,0]=4 1324 B18R2.375 CNC(=O)CCCSc1c[nH]c2c1cccn2 62a_100000741757_100011934613 [0,1,0,0,0,1|2,0,0]=4 1325 B18R2.375 CNC(=O)CCCSc1c[nH]c2c1ccnc2 62a_100000741757_100010232032 [0,1,0,0,0,1|2,0,0]=4 1326 B18R2.375 CNC(=O)CCCSc1c[nH]c2c1cncc2 62a_100000741757_100000753697 [0,1,0,0,0,1|2,0,0]=4 1327 B18R2.375 CNC(=O)CCCSc1c[nH]c2c1nccc2 62a_100000741757_100009817151 [0,1,0,0,0,1|2,0,0]=4 1328 B18R2.375 CNC(=O)CCCSc1coc2c1cccc2 62a_100000741757_100009812202 [0,1,0,0,0,1|2,0,0]=4 1329 B18R2.375 CNC(=O)CCCSc1csc2c1cccc2 62a_100000741757_100009813928 [0,1,0,0,0,1|2,0,0]=4 1330 B18R2.375 CNC(=O)CCCSc1n[nH]c2c1cccc2 62a_100000741757_100000050141 [0,1,0,0,0,1|2,0,0]=4 1331 B18R2.375 CNC(=O)CCNCc1c[nH]c2c1ccnc2 270004a_100000738227_100000087688 [0,1,0,0,0,1|2,0,0]=4 1332 B18R2.375 CNC(=O)CCNCc1coc2c1cccc2 207a_100000738227_100000688544 [0,1,0,0,0,1|2,0,0]=4 1333 B18R2.375 CNC(=O)CCNCc1coc2c1cccc2 270004a_100000738227_100000688544 [0,1,0,0,0,1|2,0,0]=4 1334 B18R2.375 CNC(=O)CCNCc1csc2c1cccc2 207a_100000738227_100000239721 [0,1,0,0,0,1|2,0,0]=4 1335 B18R2.375 CNC(=O)CCNCc1csc2c1cccc2 2230a_100000738227_200000742921 [0,1,0,0,0,1|2,0,0]=4 1336 B18R2.375 CNC(=O)CCNCc1csc2c1cccc2 270004a_100000738227_100000239721 [0,1,0,0,0,1|2,0,0]=4 1337 B18R2.375 CNC(=O)CCNCc1csc2c1cccc2 34a_100000738227_200000742921 [0,1,0,0,0,1|2,0,0]=4 1338 B18R2.375 CNC(=O)CCNCc1csc2c1cccc2 34a_100000744611_100012179268 [0,1,0,0,0,1|2,0,0]=4 1339 B18R2.375 CNC(=O)CCNCc1n[nH]c2c1cccc2 207a_100000738227_100000059708 [0,1,0,0,0,1|2,0,0]=4 1340 B18R2.375 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62a_100000204255_100009813815 [0,1,0,0,0,1|2,0,0]=4 1393 B18R2.375 COC(=O)CCSCc1noc2c1cccc2 62a_100009813815_100000204255 [0,1,0,0,0,1|2,0,0]=4 1394 B18R2.375 COC(=O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000747449 [0,1,0,0,0,1|0,0,0]=2 1395 B18R2.375 COC(=O)CNCCc1coc2c1cccc2 2230a_100011934666_100000747449 [0,1,0,0,0,1|1,0,0]=3 1396 B18R2.375 COC(=O)CNCCc1coc2c1cccc2 34a_100011934666_100000747449 [0,1,0,0,0,1|1,0,0]=3 1397 B18R2.375 COC(=O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000747449 [0,1,0,0,0,1|0,0,0]=2 1398 B18R2.375 COC(=O)COCCn1ccc2c1cccc2 34a_100011926976_100000747449 [0,1,0,0,0,1|2,0,0]=4 1399 B18R2.375 COC(=O)CSCCc1c[nH]c2c1cccc2 62a_100000747449_100011218569 [0,1,0,0,0,1|0,0,0]=2 1400 B18R2.375 COC(=O)CSCCc1c[nH]c2c1cccn2 62a_100000747449_100009895007 [0,1,0,0,0,1|1,0,0]=3 1401 B18R2.375 COC(=O)OCSCc1csc2c1cccc2 62a_200000742921_100000139417 [0,1,0,0,0,1|2,0,0]=4 1402 B18R2.375 COC(C)COCCc1c[nH]c2c1cccc2 34a_100000690652_100011218569 [0,1,0,0,0,1|1,0,1]=4 1403 B18R2.375 CO[C@H](C)CNCCc1c[nH]c2c1cccc2 2230a_100020591295_100011218569 [0,1,0,0,0,1|1,0,1]=4 1404 B18R2.375 C[C@@H](CO)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000059175 [0,1,0,0,0,1|1,0,1]=4 1405 B18R2.375 C[C@@H](CO)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000059175 [0,1,0,0,0,1|1,0,1]=4 1406 B18R2.375 C[C@@H](CO)CSCCc1c[nH]c2c1cccc2 62a_100000059175_100011218569 [0,1,0,0,0,1|1,0,1]=4 1407 B18R2.375 NC(=NO)CCOCc1csc2c1cccc2 34a_100000749954_200000742921 [0,1,0,0,0,1|2,0,0]=4 1408 B18R2.375 O=C(CO)NCCCc1c[nH]c2c1cccc2 240690a_100102525078_100000210174 [0,1,0,0,0,1|0,0,0]=2 1409 B18R2.375 O=C(CO)NCCCc1c[nH]c2c1cccc2 527a_100102525078_100000210174 [0,1,0,0,0,1|0,0,0]=2 1410 B18R2.375 O=C(CO)NCCCn1ccc2c1cccc2 527a_100000185030_100000210174 [0,1,0,0,0,1|2,0,0]=4 1411 B18R2.375 O=C(CO)NCCCn1cnc2c1cccc2 240690a_100000738934_100000210174 [0,1,0,0,0,1|1,0,1]=4 1412 B18R2.375 O=C(CO)NCCCn1cnc2c1cccc2 527a_100000738934_100000210174 [0,1,0,0,0,1|1,0,1]=4 1413 B18R2.375 OCC(O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011219619 [0,1,0,0,0,1|0,0,2]=4 1414 B18R2.375 OCC(O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100011219619 [0,1,0,0,0,1|0,0,2]=4 1415 B18R2.375 OCC(O)CSCCc1c[nH]c2c1cccc2 62a_100011219619_100011218569 [0,1,0,0,0,1|0,0,2]=4 1416 B18R2.375 OC[C@@H](O)CNCCc1c[nH]c2c1cccc2 2230a_100020644852_100011218569 [0,1,0,0,0,1|0,0,2]=4 1417 B18R2.375 OC[C@H](F)CNCCc1c[nH]c2c1cccc2 34a_100015665980_100011218569 [0,1,0,0,0,1|1,0,1]=4 1418 B18R2.375 OC[C@H](O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100009815848 [0,1,0,0,0,1|0,0,2]=4 1419 B18R2.375 OC[C@H](O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100009815848 [0,1,0,0,0,1|0,0,2]=4 1420 B18R2.375 OC[C@H](O)CSCCc1c[nH]c2c1cccc2 62a_100009815848_100011218569 [0,1,0,0,0,1|0,0,2]=4 1421 B18R2.375 O[C@@H](CF)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100015614560 [0,1,0,0,0,1|1,0,1]=4 1422 B18R2.375 O[C@@H](CF)COCCc1c[nH]c2c1cccc2 34a_100000752351_100015614560 [0,1,0,0,0,1|1,0,1]=4 1423 B18R2.375 O[C@@H](CF)CSCCc1c[nH]c2c1cccc2 62a_100015614560_100011218569 [0,1,0,0,0,1|1,0,1]=4 1424 B18R2.3963 CC(C)(O)CNCCc1c[nH]c2c1cccc2 2230a_100000751335_100011218569 [0,1,0,0,0,1|1,0,1]=4 1425 B18R2.3963 CC(C)(O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000764493 [0,1,0,0,0,1|1,0,1]=4 1426 B18R2.3963 CC(C)(O)CSCCc1c[nH]c2c1cccc2 62a_100000764493_100011218569 [0,1,0,0,0,1|1,0,1]=4 1427 B18R2.3963 CS(=O)(=O)NCCCc1c[nH]c2c1cccc2 40a_100102525078_100000738038 [0,1,0,0,0,1|1,0,1]=4 1428 B18R2.3963 NS(=O)(=O)CSCCc1c[nH]c2c1cccc2 62a_100000741382_100011218569 [0,1,0,0,0,1|1,0,1]=4 1429 B18R2.3963 O=S(=O)([O-])COCCc1c[nH]c2c1cccc2 34a_100000752351_100009817235 [0,1,0,0,0,1|1,0,1]=4 1430 B18R2.3963 O=S(=O)([O-])CSCCc1c[nH]c2c1cccc2 62a_100009817235_100011218569 [0,1,0,0,0,1|1,0,1]=4 1431 B18R2.4014 C=C(C)CNCCc1c[nH]c2c1ccc(c2)C 2230a_100000709966_100000748629 [0,1,0,0,0,1|2,0,0]=4 1432 B18R2.4014 C=C(C)CNCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_100000748629 [0,1,0,0,0,1|2,0,0]=4 1433 B18R2.4014 C=C(C)COCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_100000748629 [0,1,0,0,0,1|2,0,0]=4 1434 B18R2.4014 C=C(F)CNCCc1c[nH]c2c1ccc(c2)C 2230a_100000709966_100009893438 [0,1,0,0,0,1|2,0,0]=4 1435 B18R2.4014 C=C(F)CNCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_100009893438 [0,1,0,0,0,1|2,0,0]=4 1436 B18R2.4014 C=C(F)COCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_100009893438 [0,1,0,0,0,1|2,0,0]=4 1437 B18R2.4014 CC(=O)CCCSc1c[nH]c2c1ccc(n2)Cl 62a_100011215641_100010168512 [0,1,0,0,0,1|2,0,0]=4 1438 B18R2.4014 CC(=O)CCCSc1c[nH]c2c1ccc(n2)F 62a_100011215641_100010168364 [0,1,0,0,0,1|2,0,0]=4 1439 B18R2.4014 CC(=O)CCCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100011215641 [0,1,0,0,0,1|2,0,0]=4 1440 B18R2.4014 CC(=O)CCCSc1c[nH]c2c1cnc(c2)Br 62a_100011215641_100010206817 [0,1,0,0,0,1|2,0,0]=4 1441 B18R2.4014 CC(=O)CCCSc1c[nH]c2c1cnc(c2)Cl 62a_100011215641_100010206812 [0,1,0,0,0,1|2,0,0]=4 1442 B18R2.4014 CC(=O)CCCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100011215641 [0,1,0,0,0,1|2,0,0]=4 1443 B18R2.4014 CC(=O)CCCSc1c[nH]c2c1ncc(c2)Br 62a_100011215641_100010208019 [0,1,0,0,0,1|2,0,0]=4 1444 B18R2.4014 CC(=O)CCCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100011215641 [0,1,0,0,0,1|2,0,0]=4 1445 B18R2.4014 CC(=O)CCCSc1n[nH]c2c1ccc(c2)Br 62a_100011215641_100010186045 [0,1,0,0,0,1|2,0,0]=4 1446 B18R2.4014 CC(=O)CCCSc1n[nH]c2c1ccc(c2)C 62a_100011215641_100000049534 [0,1,0,0,0,1|2,0,0]=4 1447 B18R2.4014 CC(=O)CCCSc1n[nH]c2c1ccc(c2)Cl 62a_100011215641_100000049627 [0,1,0,0,0,1|2,0,0]=4 1448 B18R2.4014 CC(=O)CCCSc1n[nH]c2c1ccc(c2)F 62a_100011215641_100000049990 [0,1,0,0,0,1|2,0,0]=4 1449 B18R2.4014 CC(=O)CCCSc1n[nH]c2c1ccc(c2)N 62a_100011215641_100009816878 [0,1,0,0,0,1|2,0,0]=4 1450 B18R2.4014 CC(O)CNCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_100011218427 [0,1,0,0,0,1|1,0,1]=4 1451 B18R2.4014 CC(O)COCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_100011218427 [0,1,0,0,0,1|1,0,1]=4 1452 B18R2.4014 C[C@@H](O)CNCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_100009817552 [0,1,0,0,0,1|1,0,1]=4 1453 B18R2.4014 C[C@@H](O)COCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_100009817552 [0,1,0,0,0,1|1,0,1]=4 1454 B18R2.4014 Cc1ccc2c(c[nH]c2c1)CCNCC(=O)N 2230a_100000709966_100000747473 [0,1,0,0,0,1|1,0,0]=3 1455 B18R2.4014 Cc1ccc2c(c[nH]c2c1)CCNCC(C)O 2230a_100000709966_100011218427 [0,1,0,0,0,1|1,0,1]=4 1456 B18R2.4014 Cc1ccc2c(c[nH]c2c1)CCNC[C@@H](C)O 2230a_100000709966_100009817552 [0,1,0,0,0,1|1,0,1]=4 1457 B18R2.4014 Cc1ccc2c(n[nH]c2c1)SCCCC(=O)N 62a_100102525003_100000049534 [0,1,0,0,0,1|2,0,0]=4 1458 B18R2.4014 NC(=O)CCCSc1c[nH]c2c1ccc(n2)Cl 62a_100102525003_100010168512 [0,1,0,0,0,1|2,0,0]=4 1459 B18R2.4014 NC(=O)CCCSc1c[nH]c2c1ccc(n2)F 62a_100102525003_100010168364 [0,1,0,0,0,1|2,0,0]=4 1460 B18R2.4014 NC(=O)CCCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100102525003 [0,1,0,0,0,1|2,0,0]=4 1461 B18R2.4014 NC(=O)CCCSc1c[nH]c2c1cnc(c2)Br 62a_100102525003_100010206817 [0,1,0,0,0,1|2,0,0]=4 1462 B18R2.4014 NC(=O)CCCSc1c[nH]c2c1cnc(c2)Cl 62a_100102525003_100010206812 [0,1,0,0,0,1|2,0,0]=4 1463 B18R2.4014 NC(=O)CCCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100102525003 [0,1,0,0,0,1|2,0,0]=4 1464 B18R2.4014 NC(=O)CCCSc1c[nH]c2c1ncc(c2)Br 62a_100102525003_100010208019 [0,1,0,0,0,1|2,0,0]=4 1465 B18R2.4014 NC(=O)CCCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100102525003 [0,1,0,0,0,1|2,0,0]=4 1466 B18R2.4014 NC(=O)CCCSc1n[nH]c2c1ccc(c2)Br 62a_100102525003_100010186045 [0,1,0,0,0,1|2,0,0]=4 1467 B18R2.4014 NC(=O)CCCSc1n[nH]c2c1ccc(c2)Cl 62a_100102525003_100000049627 [0,1,0,0,0,1|2,0,0]=4 1468 B18R2.4014 NC(=O)CCCSc1n[nH]c2c1ccc(c2)F 62a_100102525003_100000049990 [0,1,0,0,0,1|2,0,0]=4 1469 B18R2.4014 NC(=O)CCCSc1n[nH]c2c1ccc(c2)N 62a_100102525003_100009816878 [0,1,0,0,0,1|2,0,0]=4 1470 B18R2.4014 NC(=O)CCNCc1n[nH]c2c1ccc(c2)Br 207a_100000740010_100009817233 [0,1,0,0,0,1|2,0,0]=4 1471 B18R2.4014 NC(=O)CCNCc1n[nH]c2c1ccc(c2)Cl 207a_100000740010_100000086628 [0,1,0,0,0,1|2,0,0]=4 1472 B18R2.4014 NC(=O)CCNCc1n[nH]c2c1ccc(c2)F 207a_100000740010_100000086633 [0,1,0,0,0,1|2,0,0]=4 1473 B18R2.4014 NC(=O)CNCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_100000747473 [0,1,0,0,0,1|1,0,0]=3 1474 B18R2.4014 NC(=O)COCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_100000187820 [0,1,0,0,0,1|1,0,0]=3 1475 B18R2.4014 O=C([O-])COCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_100020667443 [0,1,0,0,0,1|0,0,1]=3 1476 B18R2.4014 O=[N+]([O-])COCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_100000761209 [0,1,0,0,0,1|1,0,1]=4 1477 B18R2.6176 CC(=O)CCCSC1C(=O)Nc2c1cccc2 62a_100011215641_200009996675 [0,1,0,0,0,1|1,0,1]=4 1478 B18R2.6176 CC(=O)CCCSc1c([nH]c2c1cccn2)C 62a_100011215641_100010174266 [0,1,0,0,0,1|2,0,0]=4 1479 B18R2.6176 CC(=O)CCCSc1c(oc2c1cccc2)C 62a_100011215641_200010236113 [0,1,0,0,0,1|2,0,0]=4 1480 B18R2.6176 CC(=O)CCCSc1c(sc2c1cccc2)C 62a_100010002616_100011215641 [0,1,0,0,0,1|2,0,0]=4 1481 B18R2.6176 CC(=O)CCCSc1c(sc2c1cccc2)C 62a_100011215641_100010002616 [0,1,0,0,0,1|2,0,0]=4 1482 B18R2.6176 Cc1[nH]c2ncccc2c1SCCCC(=O)N 62a_100102525003_100010174266 [0,1,0,0,0,1|2,0,0]=4 1483 B18R2.6176 Cc1oc2ccccc2c1SCCCC(=O)N 62a_100102525003_200010236113 [0,1,0,0,0,1|2,0,0]=4 1484 B18R2.6176 Cc1sc2ccccc2c1CNCCC(=O)N 207a_100000740010_100000066825 [0,1,0,0,0,1|2,0,0]=4 1485 B18R2.6176 Cc1sc2ccccc2c1SCCCC(=O)N 62a_100010002616_100102525003 [0,1,0,0,0,1|2,0,0]=4 1486 B18R2.6176 Cc1sc2ccccc2c1SCCCC(=O)N 62a_100102525003_100010002616 [0,1,0,0,0,1|2,0,0]=4 1487 B18R2.6176 NC(=O)CCCSC1C(=O)Nc2c1cccc2 62a_100102525003_200009996675 [0,1,0,0,0,1|1,0,1]=4 1488 B18R2.6176 NC(=O)CNCCn1c(=O)[nH]c2c1cccc2 2230a_100000711301_203549783246 [0,1,0,0,0,1|2,0,0]=4 1489 B18R2.6176 O=C(O)CNCCn1c(=O)[nH]c2c1cccc2 269956a_100016091260_203549783246 [0,1,0,0,0,1|1,0,0]=3 1490 B18R2.7182 CC(=O)CCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100011215641 [0,1,0,0,0,1|2,0,0]=4 1491 B18R2.7182 CC(NCCC(=O)N)c1coc2c1cccc2 269862a_100000740010_100000751042 [0,1,0,0,0,1|2,0,0]=4 1492 B18R2.7182 CC(NCCC(=O)N)c1csc2c1cccc2 269862a_100000740010_100000689785 [0,1,0,0,0,1|2,0,0]=4 1493 B18R2.7182 CC(NCCC(=O)N)c1n[nH]c2c1cccc2 269862a_100000740010_100000087549 [0,1,0,0,0,1|2,0,0]=4 1494 B18R2.7182 NC(=O)CCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100102525003 [0,1,0,0,0,1|2,0,0]=4 1495 B18R2.7182 NC(=O)CNCC(=O)c1c[nH]c2c1cccc2 2230a_100000711301_100000183220 [0,1,0,0,0,1|1,0,1]=4 1496 B18R2.7182 NC(=O)CSCC(=O)c1c[nH]c2c1cccc2 62a_100000747473_100000183220 [0,1,0,0,0,1|1,0,1]=4 1497 B18R2.7182 O=C(O)CNCC(=O)c1c[nH]c2c1cccc2 269956a_100016091260_100000183220 [0,1,0,0,0,1|0,0,1]=3 1498 B18R2.7182 O=C(O)CNCC(=O)c1coc2c1cccc2 269956a_100016091260_100000233777 [0,1,0,0,0,1|1,0,1]=4 1499 B18R2.7182 O=C(O)CNCC(=O)c1csc2c1cccc2 269956a_100016091260_100000689783 [0,1,0,0,0,1|1,0,1]=4 1500 B18R2.7182 O=C([O-])CSCC(=O)c1c[nH]c2c1cccc2 62a_100020667443_100000183220 [0,1,0,0,0,1|0,0,2]=4 1501 B18R2.40893 C=C(C)CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100000748629 [0,1,0,0,0,1|2,0,0]=4 1502 B18R2.40893 C=C(C)CNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_100000748629 [0,1,0,0,0,1|2,0,0]=4 1503 B18R2.40893 C=C(C)CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100000748629 [0,1,0,0,0,1|2,0,0]=4 1504 B18R2.40893 C=C(C)CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100000748629 [0,1,0,0,0,1|2,0,0]=4 1505 B18R2.40893 C=C(C)COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100000748629 [0,1,0,0,0,1|2,0,0]=4 1506 B18R2.40893 C=C(F)CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100009893438 [0,1,0,0,0,1|2,0,0]=4 1507 B18R2.40893 C=C(F)CNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_100009893438 [0,1,0,0,0,1|2,0,0]=4 1508 B18R2.40893 C=C(F)CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100009893438 [0,1,0,0,0,1|2,0,0]=4 1509 B18R2.40893 C=C(F)CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100009893438 [0,1,0,0,0,1|2,0,0]=4 1510 B18R2.40893 C=C(F)COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100009893438 [0,1,0,0,0,1|2,0,0]=4 1511 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1cc(cn2)Br 62a_100011215641_100011290788 [0,1,0,0,0,1|2,0,0]=4 1512 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100011215641 [0,1,0,0,0,1|2,0,0]=4 1513 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1cc(cn2)C 62a_100011215641_100010246215 [0,1,0,0,0,1|2,0,0]=4 1514 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1cc(cn2)Cl 62a_100011215641_100000050100 [0,1,0,0,0,1|2,0,0]=4 1515 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1cc(cn2)F 62a_100011215641_100010168383 [0,1,0,0,0,1|2,0,0]=4 1516 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1cc(cn2)N 62a_100011215641_100010168510 [0,1,0,0,0,1|2,0,0]=4 1517 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1cc(nc2)Cl 62a_100011215641_100010168685 [0,1,0,0,0,1|2,0,0]=4 1518 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100011215641 [0,1,0,0,0,1|2,0,0]=4 1519 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1nc(cc2)Br 62a_100011215641_100010168532 [0,1,0,0,0,1|2,0,0]=4 1520 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1nc(cc2)C 62a_100011215641_100010212567 [0,1,0,0,0,1|2,0,0]=4 1521 B18R2.40893 CC(=O)CCCSc1c[nH]c2c1nc(cc2)Cl 62a_100011215641_100010168529 [0,1,0,0,0,1|2,0,0]=4 1522 B18R2.40893 CC(=O)CCCSc1csc2c1cc(cc2)N 62a_100011178648_100011215641 [0,1,0,0,0,1|2,0,0]=4 1523 B18R2.40893 CC(=O)CCCSc1csc2c1cc(cc2)N 62a_100011215641_100011178648 [0,1,0,0,0,1|2,0,0]=4 1524 B18R2.40893 CC(=O)CCCSc1n[nH]c2c1cc(cc2)Br 62a_100011215641_100010186058 [0,1,0,0,0,1|2,0,0]=4 1525 B18R2.40893 CC(=O)CCCSc1n[nH]c2c1cc(cc2)C 62a_100011215641_100000123028 [0,1,0,0,0,1|2,0,0]=4 1526 B18R2.40893 CC(=O)CCCSc1n[nH]c2c1cc(cc2)Cl 62a_100011215641_100010174404 [0,1,0,0,0,1|2,0,0]=4 1527 B18R2.40893 CC(=O)CCCSc1n[nH]c2c1cc(cc2)F 62a_100011215641_100011934747 [0,1,0,0,0,1|2,0,0]=4 1528 B18R2.40893 CC(=O)CCCSc1n[nH]c2c1cc(cc2)N 62a_100011215641_100012353729 [0,1,0,0,0,1|2,0,0]=4 1529 B18R2.40893 CC(=O)CCOCc1csc2c1cc(cc2)Cl 34a_100000759926_100009814428 [0,1,0,0,0,1|2,0,0]=4 1530 B18R2.40893 CC(=O)CCOCc1csc2c1cc(cc2)Cl 7a_100000759926_100009814428 [0,1,0,0,0,1|2,0,0]=4 1531 B18R2.40893 CC(=O)CCOCc1csc2c1cc(cc2)Cl 7a_200000043707_100000053229 [0,1,0,0,0,1|2,0,0]=4 1532 B18R2.40893 CC(=O)CCOCc1csc2c1cc(cc2)F 34a_100000759926_100010109839 [0,1,0,0,0,1|2,0,0]=4 1533 B18R2.40893 CC(=O)CCOCc1csc2c1cc(cc2)F 7a_100000759926_100010109839 [0,1,0,0,0,1|2,0,0]=4 1534 B18R2.40893 CC(=O)CCSCc1csc2c1cc(cc2)Cl 62a_100000053229_100009814428 [0,1,0,0,0,1|2,0,0]=4 1535 B18R2.40893 CC(=O)CCSCc1csc2c1cc(cc2)Cl 62a_100009814428_100000053229 [0,1,0,0,0,1|2,0,0]=4 1536 B18R2.40893 CC(=O)CCSCc1csc2c1cc(cc2)F 62a_100000053229_100010109839 [0,1,0,0,0,1|2,0,0]=4 1537 B18R2.40893 CC(=O)CCSCc1csc2c1cc(cc2)F 62a_100010109839_100000053229 [0,1,0,0,0,1|2,0,0]=4 1538 B18R2.40893 CC(=O)NCCCc1c[nH]c2c1cc(cc2)Cl 240690a_100103152479_100015343762 [0,1,0,0,0,1|1,0,0]=3 1539 B18R2.40893 CC(=O)NCCCc1c[nH]c2c1cc(cc2)Cl 527a_100103152479_100103153847 [0,1,0,0,0,1|1,0,0]=3 1540 B18R2.40893 CC(O)CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100011218427 [0,1,0,0,0,1|1,0,1]=4 1541 B18R2.40893 CC(O)CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100011218427 [0,1,0,0,0,1|1,0,1]=4 1542 B18R2.40893 CC(O)CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100011218427 [0,1,0,0,0,1|1,0,1]=4 1543 B18R2.40893 CC(O)COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100011218427 [0,1,0,0,0,1|1,0,1]=4 1544 B18R2.40893 C[C@@H](O)CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100009817552 [0,1,0,0,0,1|1,0,1]=4 1545 B18R2.40893 C[C@@H](O)CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100009817552 [0,1,0,0,0,1|1,0,1]=4 1546 B18R2.40893 C[C@@H](O)CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100009817552 [0,1,0,0,0,1|1,0,1]=4 1547 B18R2.40893 C[C@@H](O)COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100009817552 [0,1,0,0,0,1|1,0,1]=4 1548 B18R2.40893 Cc1ccc2[nH]cc(c2c1)CCNCC(=O)N 2230a_100000008874_100000747473 [0,1,0,0,0,1|1,0,0]=3 1549 B18R2.40893 Cc1ccc2[nH]cc(c2c1)CCNCC(C)O 2230a_100000008874_100011218427 [0,1,0,0,0,1|1,0,1]=4 1550 B18R2.40893 Cc1ccc2[nH]cc(c2c1)CCNC[C@@H](C)O 2230a_100000008874_100009817552 [0,1,0,0,0,1|1,0,1]=4 1551 B18R2.40893 Cc1ccc2[nH]cc(c2n1)SCCCC(=O)N 62a_100102525003_100010212567 [0,1,0,0,0,1|2,0,0]=4 1552 B18R2.40893 Cc1ccc2[nH]nc(c2c1)CNCCC(=O)N 207a_100000740010_100000050950 [0,1,0,0,0,1|2,0,0]=4 1553 B18R2.40893 Cc1ccc2[nH]nc(c2c1)SCCCC(=O)N 62a_100102525003_100000123028 [0,1,0,0,0,1|2,0,0]=4 1554 B18R2.40893 Cc1cnc2[nH]cc(c2c1)SCCCC(=O)N 62a_100102525003_100010246215 [0,1,0,0,0,1|2,0,0]=4 1555 B18R2.40893 NC(=O)CCCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100102525003 [0,1,0,0,0,1|2,0,0]=4 1556 B18R2.40893 NC(=O)CCCSc1c[nH]c2c1cc(cn2)Br 62a_100102525003_100011290788 [0,1,0,0,0,1|2,0,0]=4 1557 B18R2.40893 NC(=O)CCCSc1c[nH]c2c1cc(cn2)Cl 62a_100102525003_100000050100 [0,1,0,0,0,1|2,0,0]=4 1558 B18R2.40893 NC(=O)CCCSc1c[nH]c2c1cc(cn2)F 62a_100102525003_100010168383 [0,1,0,0,0,1|2,0,0]=4 1559 B18R2.40893 NC(=O)CCCSc1c[nH]c2c1cc(cn2)N 62a_100102525003_100010168510 [0,1,0,0,0,1|2,0,0]=4 1560 B18R2.40893 NC(=O)CCCSc1c[nH]c2c1cc(nc2)Cl 62a_100102525003_100010168685 [0,1,0,0,0,1|2,0,0]=4 1561 B18R2.40893 NC(=O)CCCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100102525003 [0,1,0,0,0,1|2,0,0]=4 1562 B18R2.40893 NC(=O)CCCSc1c[nH]c2c1nc(cc2)Br 62a_100102525003_100010168532 [0,1,0,0,0,1|2,0,0]=4 1563 B18R2.40893 NC(=O)CCCSc1c[nH]c2c1nc(cc2)Cl 62a_100102525003_100010168529 [0,1,0,0,0,1|2,0,0]=4 1564 B18R2.40893 NC(=O)CCCSc1csc2c1cc(cc2)N 62a_100011178648_100102525003 [0,1,0,0,0,1|2,0,0]=4 1565 B18R2.40893 NC(=O)CCCSc1csc2c1cc(cc2)N 62a_100102525003_100011178648 [0,1,0,0,0,1|2,0,0]=4 1566 B18R2.40893 NC(=O)CCCSc1n[nH]c2c1cc(cc2)Br 62a_100102525003_100010186058 [0,1,0,0,0,1|2,0,0]=4 1567 B18R2.40893 NC(=O)CCCSc1n[nH]c2c1cc(cc2)Cl 62a_100102525003_100010174404 [0,1,0,0,0,1|2,0,0]=4 1568 B18R2.40893 NC(=O)CCCSc1n[nH]c2c1cc(cc2)F 62a_100102525003_100011934747 [0,1,0,0,0,1|2,0,0]=4 1569 B18R2.40893 NC(=O)CCCSc1n[nH]c2c1cc(cc2)N 62a_100102525003_100012353729 [0,1,0,0,0,1|2,0,0]=4 1570 B18R2.40893 NC(=O)CCNCc1csc2c1cc(cc2)Br 207a_100000740010_100009814807 [0,1,0,0,0,1|2,0,0]=4 1571 B18R2.40893 NC(=O)CCNCc1csc2c1cc(cc2)Cl 207a_100000740010_100000040578 [0,1,0,0,0,1|2,0,0]=4 1572 B18R2.40893 NC(=O)CCNCc1n[nH]c2c1cc(cc2)Br 207a_100000740010_100009888965 [0,1,0,0,0,1|2,0,0]=4 1573 B18R2.40893 NC(=O)CCNCc1n[nH]c2c1cc(cc2)Cl 207a_100000740010_100000086617 [0,1,0,0,0,1|2,0,0]=4 1574 B18R2.40893 NC(=O)CCNCc1n[nH]c2c1cc(cc2)F 207a_100000740010_100000084349 [0,1,0,0,0,1|2,0,0]=4 1575 B18R2.40893 NC(=O)CCOCc1csc2c1cc(cc2)Cl 34a_100000757172_100009814428 [0,1,0,0,0,1|2,0,0]=4 1576 B18R2.40893 NC(=O)CCOCc1csc2c1cc(cc2)Cl 34a_200000043707_100000731001 [0,1,0,0,0,1|2,0,0]=4 1577 B18R2.40893 NC(=O)CCOCc1csc2c1cc(cc2)Cl 7a_100000757172_100009814428 [0,1,0,0,0,1|2,0,0]=4 1578 B18R2.40893 NC(=O)CCOCc1csc2c1cc(cc2)Cl 7a_200000043707_100000744528 [0,1,0,0,0,1|2,0,0]=4 1579 B18R2.40893 NC(=O)CCOCc1csc2c1cc(cc2)F 34a_100000757172_100010109839 [0,1,0,0,0,1|2,0,0]=4 1580 B18R2.40893 NC(=O)CCOCc1csc2c1cc(cc2)F 7a_100000757172_100010109839 [0,1,0,0,0,1|2,0,0]=4 1581 B18R2.40893 NC(=O)CCSCc1csc2c1cc(cc2)Cl 62a_100000744528_100009814428 [0,1,0,0,0,1|2,0,0]=4 1582 B18R2.40893 NC(=O)CCSCc1csc2c1cc(cc2)Cl 62a_100009814428_100000744528 [0,1,0,0,0,1|2,0,0]=4 1583 B18R2.40893 NC(=O)CCSCc1csc2c1cc(cc2)F 62a_100000744528_100010109839 [0,1,0,0,0,1|2,0,0]=4 1584 B18R2.40893 NC(=O)CCSCc1csc2c1cc(cc2)F 62a_100010109839_100000744528 [0,1,0,0,0,1|2,0,0]=4 1585 B18R2.40893 NC(=O)CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_100000747473 [0,1,0,0,0,1|1,0,0]=3 1586 B18R2.40893 NC(=O)CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_100000747473 [0,1,0,0,0,1|1,0,0]=3 1587 B18R2.40893 NC(=O)CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100000747473 [0,1,0,0,0,1|1,0,0]=3 1588 B18R2.40893 NC(=O)CNCCc1csc2c1cc(cc2)Br 2230a_100016989105_100000747473 [0,1,0,0,0,1|2,0,0]=4 1589 B18R2.40893 NC(=O)CNCCc1csc2c1cc(cc2)Br 34a_100016989105_100000187820 [0,1,0,0,0,1|2,0,0]=4 1590 B18R2.40893 NC(=O)COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100000187820 [0,1,0,0,0,1|1,0,0]=3 1591 B18R2.40893 O=C(O)CONCc1csc2c1cc(cc2)Cl 269956a_100000106656_100009814428 [0,1,0,0,0,1|2,0,0]=4 1592 B18R2.40893 O=C(O)CONCc1csc2c1cc(cc2)F 269956a_100000106656_100010109839 [0,1,0,0,0,1|2,0,0]=4 1593 B18R2.40893 O=C([O-])CNCCc1csc2c1cc(cc2)Br 34a_100016989105_100020667443 [0,1,0,0,0,1|1,0,1]=4 1594 B18R2.40893 O=C([O-])COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100020667443 [0,1,0,0,0,1|0,0,1]=3 1595 B18R2.40893 O=[N+]([O-])COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100000761209 [0,1,0,0,0,1|1,0,1]=4 1596 B18R2.59518 C=C(C)CNCCc1c[nH]c2c1cccc2C 2230a_100015184521_100000748629 [0,1,0,0,0,1|2,0,0]=4 1597 B18R2.59518 C=C(F)CNCCc1c[nH]c2c1cccc2C 2230a_100015184521_100009893438 [0,1,0,0,0,1|2,0,0]=4 1598 B18R2.59518 CC(=O)CCCSc1c[nH]c2c1nccc2Cl 62a_100011215641_100010168581 [0,1,0,0,0,1|2,0,0]=4 1599 B18R2.59518 CC(=O)CCCSc1n[nH]c2c1cccc2Br 62a_100011215641_100010197283 [0,1,0,0,0,1|2,0,0]=4 1600 B18R2.59518 CC(=O)CCCSc1n[nH]c2c1cccc2C 62a_100011215641_100010186057 [0,1,0,0,0,1|2,0,0]=4 1601 B18R2.59518 CC(=O)CCCSc1n[nH]c2c1cccc2Cl 62a_100011215641_100000050086 [0,1,0,0,0,1|2,0,0]=4 1602 B18R2.59518 CC(=O)CCCSc1n[nH]c2c1cccc2F 62a_100011215641_100010231504 [0,1,0,0,0,1|2,0,0]=4 1603 B18R2.59518 CC(=O)CCCSc1n[nH]c2c1cccc2N 62a_100011215641_100009888981 [0,1,0,0,0,1|2,0,0]=4 1604 B18R2.59518 CC(=O)CCCSc1n[nH]c2c1cccc2O 62a_100011215641_200010988877 [0,1,0,0,0,1|2,0,0]=4 1605 B18R2.59518 CC(O)CCNCc1c[nH]c2c1cccc2Br 270004a_200000755665_100009814786 [0,1,0,0,0,1|1,0,1]=4 1606 B18R2.59518 CC(O)CCNCc1c[nH]c2c1cccc2Cl 270004a_200000755665_100011361501 [0,1,0,0,0,1|1,0,1]=4 1607 B18R2.59518 Cc1cccc2c1[nH]cc2CCNCC(=O)N 2230a_100015184521_100000747473 [0,1,0,0,0,1|1,0,0]=3 1608 B18R2.59518 Cc1cccc2c1[nH]cc2CCNCC(C)O 2230a_100015184521_100011218427 [0,1,0,0,0,1|1,0,1]=4 1609 B18R2.59518 Cc1cccc2c1[nH]cc2CCNC[C@@H](C)O 2230a_100015184521_100009817552 [0,1,0,0,0,1|1,0,1]=4 1610 B18R2.59518 Cc1cccc2c1[nH]cc2CNCCC(C)O 270004a_200000755665_100000040139 [0,1,0,0,0,1|1,0,1]=4 1611 B18R2.59518 Cc1cccc2c1[nH]nc2CNCCC(=O)N 207a_100000740010_100000050344 [0,1,0,0,0,1|2,0,0]=4 1612 B18R2.59518 Cc1cccc2c1[nH]nc2SCCCC(=O)N 62a_100102525003_100010186057 [0,1,0,0,0,1|2,0,0]=4 1613 B18R2.59518 NC(=O)CCCSc1c[nH]c2c1nccc2Cl 62a_100102525003_100010168581 [0,1,0,0,0,1|2,0,0]=4 1614 B18R2.59518 NC(=O)CCCSc1n[nH]c2c1cccc2Br 62a_100102525003_100010197283 [0,1,0,0,0,1|2,0,0]=4 1615 B18R2.59518 NC(=O)CCCSc1n[nH]c2c1cccc2Cl 62a_100102525003_100000050086 [0,1,0,0,0,1|2,0,0]=4 1616 B18R2.59518 NC(=O)CCCSc1n[nH]c2c1cccc2F 62a_100102525003_100010231504 [0,1,0,0,0,1|2,0,0]=4 1617 B18R2.59518 NC(=O)CCCSc1n[nH]c2c1cccc2N 62a_100102525003_100009888981 [0,1,0,0,0,1|2,0,0]=4 1618 B18R2.59518 NC(=O)CCCSc1n[nH]c2c1cccc2O 62a_100102525003_200010988877 [0,1,0,0,0,1|2,0,0]=4 1619 B18R2.59518 NC(=O)CCNCc1n[nH]c2c1cccc2Br 207a_100000740010_100009814788 [0,1,0,0,0,1|2,0,0]=4 1620 B18R2.59661 C=C(C)COCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_100000748629 [0,1,0,0,0,1|2,0,0]=4 1621 B18R2.59661 C=C(F)COCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_100009893438 [0,1,0,0,0,1|2,0,0]=4 1622 B18R2.59661 CC(=O)CCCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100011215641 [0,1,0,0,0,1|2,0,0]=4 1623 B18R2.59661 CC(=O)CCCSc1c[nH]c2c1c(ccn2)Br 62a_100011215641_100010212587 [0,1,0,0,0,1|2,0,0]=4 1624 B18R2.59661 CC(=O)CCCSc1c[nH]c2c1c(ccn2)Cl 62a_100011215641_100011356983 [0,1,0,0,0,1|2,0,0]=4 1625 B18R2.59661 CC(=O)CCCSc1c[nH]c2c1c(ccn2)F 62a_100011215641_100010168365 [0,1,0,0,0,1|2,0,0]=4 1626 B18R2.59661 CC(=O)CCCSc1n[nH]c2c1c(ccc2)Br 62a_100011215641_100010186043 [0,1,0,0,0,1|2,0,0]=4 1627 B18R2.59661 CC(=O)CCCSc1n[nH]c2c1c(ccc2)C 62a_100011215641_100000049903 [0,1,0,0,0,1|2,0,0]=4 1628 B18R2.59661 CC(=O)CCCSc1n[nH]c2c1c(ccc2)Cl 62a_100011215641_100000049730 [0,1,0,0,0,1|2,0,0]=4 1629 B18R2.59661 CC(=O)CCCSc1n[nH]c2c1c(ccc2)F 62a_100011215641_100000049989 [0,1,0,0,0,1|2,0,0]=4 1630 B18R2.59661 CC(=O)CCCSc1n[nH]c2c1c(ccc2)N 62a_100011215641_100010186038 [0,1,0,0,0,1|2,0,0]=4 1631 B18R2.59661 CC(O)COCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_100011218427 [0,1,0,0,0,1|1,0,1]=4 1632 B18R2.59661 C[C@@H](O)COCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_100009817552 [0,1,0,0,0,1|1,0,1]=4 1633 B18R2.59661 Cc1cccc2c1c(n[nH]2)SCCCC(=O)N 62a_100102525003_100000049903 [0,1,0,0,0,1|2,0,0]=4 1634 B18R2.59661 NC(=O)CCCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100102525003 [0,1,0,0,0,1|2,0,0]=4 1635 B18R2.59661 NC(=O)CCCSc1c[nH]c2c1c(ccn2)Br 62a_100102525003_100010212587 [0,1,0,0,0,1|2,0,0]=4 1636 B18R2.59661 NC(=O)CCCSc1c[nH]c2c1c(ccn2)Cl 62a_100102525003_100011356983 [0,1,0,0,0,1|2,0,0]=4 1637 B18R2.59661 NC(=O)CCCSc1c[nH]c2c1c(ccn2)F 62a_100102525003_100010168365 [0,1,0,0,0,1|2,0,0]=4 1638 B18R2.59661 NC(=O)CCCSc1n[nH]c2c1c(ccc2)Br 62a_100102525003_100010186043 [0,1,0,0,0,1|2,0,0]=4 1639 B18R2.59661 NC(=O)CCCSc1n[nH]c2c1c(ccc2)Cl 62a_100102525003_100000049730 [0,1,0,0,0,1|2,0,0]=4 1640 B18R2.59661 NC(=O)CCCSc1n[nH]c2c1c(ccc2)F 62a_100102525003_100000049989 [0,1,0,0,0,1|2,0,0]=4 1641 B18R2.59661 NC(=O)CCCSc1n[nH]c2c1c(ccc2)N 62a_100102525003_100010186038 [0,1,0,0,0,1|2,0,0]=4 1642 B18R2.59661 NC(=O)COCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_100000187820 [0,1,0,0,0,1|1,0,0]=3 1643 B18R2.59661 O=C([O-])COCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_100020667443 [0,1,0,0,0,1|0,0,1]=3 1644 B18R2.59661 O=[N+]([O-])COCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_100000761209 [0,1,0,0,0,1|1,0,1]=4 1645 B18R2.131795 C=C(C)CCNCc1cn(c2c1cccc2)C 34a_100011997738_100000730704 [0,1,0,0,0,1|2,0,0]=4 1646 B18R2.131795 C=C(C)COCCc1cn(c2c1cccc2)C 34a_100000101561_100000748629 [0,1,0,0,0,1|2,0,0]=4 1647 B18R2.131795 C=C(F)COCCc1cn(c2c1cccc2)C 34a_100000101561_100009893438 [0,1,0,0,0,1|2,0,0]=4 1648 B18R2.131795 CC(=O)CCCSc1cn(c2c1cccn2)C 62a_100011215641_100010205794 [0,1,0,0,0,1|2,0,0]=4 1649 B18R2.131795 CC(=O)CCCSc1nn(c2c1cccc2)C 62a_100009817141_100011215641 [0,1,0,0,0,1|2,0,0]=4 1650 B18R2.131795 CC(=O)CCCSc1nn(c2c1cccc2)C 62a_100011215641_100009817141 [0,1,0,0,0,1|2,0,0]=4 1651 B18R2.131795 CC(=O)OCNCc1cn(c2c1cccc2)C 34a_100011997738_100009813279 [0,1,0,0,0,1|2,0,0]=4 1652 B18R2.131795 CC(O)CCNCc1cn(c2c1cccc2)C 34a_100011997738_100012276601 [0,1,0,0,0,1|1,0,1]=4 1653 B18R2.131795 CC(O)COCCc1cn(c2c1cccc2)C 34a_100000101561_100011218427 [0,1,0,0,0,1|1,0,1]=4 1654 B18R2.131795 C[C@@H](O)COCCc1cn(c2c1cccc2)C 34a_100000101561_100009817552 [0,1,0,0,0,1|1,0,1]=4 1655 B18R2.131795 Cn1cc(c2c1cccc2)CCOCC(=O)N 34a_100000101561_100000187820 [0,1,0,0,0,1|1,0,0]=3 1656 B18R2.131795 Cn1cc(c2c1cccc2)CCOCC(=O)[O-] 34a_100000101561_100020667443 [0,1,0,0,0,1|0,0,1]=3 1657 B18R2.131795 Cn1cc(c2c1cccc2)CCOC[N+](=O)[O-] 34a_100000101561_100000761209 [0,1,0,0,0,1|1,0,1]=4 1658 B18R2.131795 Cn1cc(c2c1cccc2)CNCCC(=O)N 34a_100011997738_100000731001 [0,1,0,0,0,1|1,0,0]=3 1659 B18R2.131795 Cn1cc(c2c1nccc2)SCCCC(=O)N 62a_100102525003_100010205794 [0,1,0,0,0,1|2,0,0]=4 1660 B18R2.131795 Cn1nc(c2c1cccc2)CNCCC(=O)N 207a_100000740010_100011361492 [0,1,0,0,0,1|2,0,0]=4 1661 B18R2.131795 Cn1nc(c2c1cccc2)CNCCC(=O)N 34a_200011934655_100000731001 [0,1,0,0,0,1|2,0,0]=4 1662 B18R2.131795 Cn1nc(c2c1cccc2)COCCC(=O)N 34a_100011934675_100000731001 [0,1,0,0,0,1|2,0,0]=4 1663 B18R2.131795 Cn1nc(c2c1cccc2)SCCCC(=O)N 62a_100009817141_100102525003 [0,1,0,0,0,1|2,0,0]=4 1664 B18R2.131795 Cn1nc(c2c1cccc2)SCCCC(=O)N 62a_100102525003_100009817141 [0,1,0,0,0,1|2,0,0]=4 1665 B18R2.6153 NC(=O)CSCc1nc2ccccc2[nH]c1=O 62a_100000736137_100000747473 [0,1,0,0,0,1|2,0,0]=4 1666 B18R2.6153 O=C(O)CNCc1cc2ccccc2nc1Cl 269956a_100016091260_100000189640 [0,1,0,0,0,1|1,0,1]=4 1667 B18R2.6153 O=C(O)CNCc1nc2ccccc2[nH]c1=O 269956a_100016091260_100000736137 [0,1,0,0,0,1|1,0,0]=3 1668 B18R2.6153 O=C([O-])CSCc1nc2ccccc2[nH]c1=O 62a_100000736137_100020667443 [0,1,0,0,0,1|1,0,1]=4 1669 B18R2.9469 CCC(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_100000210202 [0,1,0,0,0,1|2,0,0]=4 1670 B18R2.9469 CNC(=O)CCCc1ccc2ccccc2c1 11a_106832991635_100000697136 [0,1,0,0,0,1|2,0,0]=4 1671 B18R2.9469 CNC(=O)CCCc1ccc2ccccc2c1 1626a_100102657272_100000697136 [0,1,0,0,0,1|2,0,0]=4 1672 B18R2.9469 CNC(=O)CCCc1ccc2ccccc2c1 240690a_100102657272_100000697136 [0,1,0,0,0,1|2,0,0]=4 1673 B18R2.9469 CNC(=O)CCCc1ccc2ccccc2c1 527a_100102657272_100000697136 [0,1,0,0,0,1|2,0,0]=4 1674 B18R2.9469 COC(=O)CCNc1ccc2ccccc2c1 34a_100000211940_100000742370 [0,1,0,0,0,1|2,0,0]=4 1675 B18R2.9469 COC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000204255 [0,1,0,0,0,1|2,0,0]=4 1676 B18R2.9469 COC(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100000742370 [0,1,0,0,0,1|2,0,0]=4 1677 B18R2.9469 COC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000204255 [0,1,0,0,0,1|2,0,0]=4 1678 B18R2.9469 COC(=O)CCOc1cnc2ccccc2c1 34a_100011934006_100000742370 [0,1,0,0,0,1|1,0,1]=4 1679 B18R2.9469 COC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000204255 [0,1,0,0,0,1|1,0,1]=4 1680 B18R2.9469 COC(=O)CCSc1ccc2ccccc2c1 62a_100000204255_100000233703 [0,1,0,0,0,1|2,0,0]=4 1681 B18R2.9469 COC(=O)CCSc1ccc2ccccc2n1 62a_100000204255_100011291633 [0,1,0,0,0,1|2,0,0]=4 1682 B18R2.9469 COC(=O)CCSc1ccc2ccccc2n1 62a_100011291633_100000204255 [0,1,0,0,0,1|2,0,0]=4 1683 B18R2.9469 COC(=O)CCSc1cnc2ccccc2c1 62a_100000204255_100000737414 [0,1,0,0,0,1|1,0,1]=4 1684 B18R2.9469 COC(=O)CCSc1cnc2ccccc2n1 62a_100000204255_100000756483 [0,1,0,0,0,1|1,0,1]=4 1685 B18R2.9469 COC(=O)CCSc1cnc2ccccc2n1 62a_100000756483_100000204255 [0,1,0,0,0,1|1,0,1]=4 1686 B18R2.9469 COC(=O)CNCc1ccc2ccccc2c1 2230a_100000739491_100000747449 [0,1,0,0,0,1|2,0,0]=4 1687 B18R2.9469 COC(=O)CNCc1ccc2ccccc2c1 34a_100000739491_100000747449 [0,1,0,0,0,1|2,0,0]=4 1688 B18R2.9469 COC(=O)CNCc1cnc2ccccc2c1 34a_100000742225_100000747449 [0,1,0,0,0,1|1,0,1]=4 1689 B18R2.9469 COC(=O)COCc1ccc2ccccc2c1 34a_100011215330_100000747449 [0,1,0,0,0,1|2,0,0]=4 1690 B18R2.9469 COC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000747449 [0,1,0,0,0,1|2,0,0]=4 1691 B18R2.9469 COC(=O)COCc1cnc2ccccc2c1 34a_100011258773_100000747449 [0,1,0,0,0,1|1,0,1]=4 1692 B18R2.9469 COC(=O)CSCc1ccc2ccccc2c1 62a_100000747449_100011216711 [0,1,0,0,0,1|2,0,0]=4 1693 B18R2.9469 COC(=O)CSCc1ccc2ccccc2c1 62a_100011216711_100000747449 [0,1,0,0,0,1|2,0,0]=4 1694 B18R2.9469 COC(=O)CSCc1ccc2ccccc2n1 62a_100000737579_100000747449 [0,1,0,0,0,1|2,0,0]=4 1695 B18R2.9469 COC(=O)CSCc1ccc2ccccc2n1 62a_100000747449_100000737579 [0,1,0,0,0,1|2,0,0]=4 1696 B18R2.9469 COC(=O)CSCc1cnc2ccccc2n1 62a_100000747449_200000751123 [0,1,0,0,0,1|1,0,1]=4 1697 B18R2.9469 COC(=O)CSCc1cnc2ccccc2n1 62a_200000751123_100000747449 [0,1,0,0,0,1|1,0,1]=4 1698 B18R2.9469 O=C(CF)CCCc1ccc2ccccc2c1 1458a_100000697136_100015361967 [0,1,0,0,0,1|2,0,0]=4 1699 B18R2.9469 O=C(CO)NCCc1ccc2ccccc2c1 240690a_100000746582_100000210174 [0,1,0,0,0,1|2,0,0]=4 1700 B18R2.9469 O=C(CO)NCCc1ccc2ccccc2c1 527a_100000746582_100000210174 [0,1,0,0,0,1|2,0,0]=4 1701 B18R2.9469 O=C(CO)NCCc1ccc2ccccc2n1 240690a_100011238595_100000210174 [0,1,0,0,0,1|2,0,0]=4 1702 B18R2.9469 O=C(CO)NCCc1ccc2ccccc2n1 527a_100011238595_100000210174 [0,1,0,0,0,1|2,0,0]=4 1703 B18R2.12980 C[C@H](NCc1ccc2ccccc2c1)C(=O)O 269956a_100000743915_100011216711 [0,1,0,0,0,1|2,0,0]=4 1704 B18R2.12980 C[C@H](NCc1ccc2ccccc2n1)C(=O)O 269956a_100000743915_100000737579 [0,1,0,0,0,1|2,0,0]=4 1705 B18R2.31386 O=C(O)CNCc1ccc2ccc(cc2n1)Cl 269956a_100016091260_100010196396 [0,1,0,0,0,1|2,0,0]=4 1706 B18R2.71948 CN(CC(=O)O)Cc1ccc2ccccc2c1 269956a_100000746989_100011216711 [0,1,0,0,0,1|2,0,0]=4 1707 B18R2.71948 CN(CC(=O)O)Cc1ccc2ccccc2n1 269956a_100000746989_100000737579 [0,1,0,0,0,1|2,0,0]=4 1708 B18R2.273536 Cc1ccc2nc(ccc2c1)CNCC(=O)O 269956a_100016091260_100009884411 [0,1,0,0,0,1|2,0,0]=4 1709 B18R2.273536 O=C(O)CNCc1ccc2cc(ccc2c1)Br 269956a_100016091260_100012356510 [0,1,0,0,0,1|2,0,0]=4 1710 B18R2.282514 CC(=O)CCSc1c[nH]c2ccccc2c1=O 62a_100000053229_100012348052 [0,1,0,0,0,1|2,0,0]=4 1711 B18R2.282514 NC(=O)CCSc1c[nH]c2ccccc2c1=O 62a_100000744528_100012348052 [0,1,0,0,0,1|2,0,0]=4 1712 B18R2.282514 O=C(O)CNCc1ccc2ccccc2c1Br 269956a_100016091260_100009813938 [0,1,0,0,0,1|2,0,0]=4 1713 B18R2.6165 CC(=O)CCSc1cc(=O)[nH]c2c1cccc2 62a_100000053229_100000075698 [0,1,0,0,0,1|2,0,0]=4 1714 B18R2.6165 NC(=O)CCNc1cc(=O)[nH]c2c1cccc2 27a_100000740010_100000075698 [0,1,0,0,0,1|2,0,0]=4 1715 B18R2.6165 NC(=O)CCSc1cc(=O)[nH]c2c1cccc2 62a_100000744528_100000075698 [0,1,0,0,0,1|2,0,0]=4 1716 B18R2.6165 O=C(O)CNCc1cc(nc2c1cccc2)Cl 269956a_100016091260_200010137201 [0,1,0,0,0,1|1,0,1]=4 1717 B18R2.6165 O=C(O)CNCc1cc(nc2c1cccc2)O 269956a_100016091260_100000187625 [0,1,0,0,0,1|1,0,1]=4 1718 B18R2.6573 Cc1ccc2ccccc2c1CNCC(=O)O 269956a_100016091260_100000689653 [0,1,0,0,0,1|2,0,0]=4 1719 B18R2.62417 Cc1ccc(c2c1cccc2)CNCC(=O)O 269956a_100016091260_100012073487 [0,1,0,0,0,1|2,0,0]=4 1720 B18R2.62417 O=C(O)CNCc1ccc(c2c1cccc2)Br 269956a_100016091260_100012352185 [0,1,0,0,0,1|2,0,0]=4 1721 B18R2.62417 O=C(O)CNCc1ccc(c2c1cccc2)F 269956a_100016091260_100011988723 [0,1,0,0,0,1|2,0,0]=4 1722 B18R2.741502 COC(=O)CCNc1cccc2c1cccc2 34a_100000185869_100000742370 [0,1,0,0,0,1|2,0,0]=4 1723 B18R2.741502 COC(=O)CCOc1cccc2c1cccc2 34a_100000210388_100000742370 [0,1,0,0,0,1|2,0,0]=4 1724 B18R2.741502 COC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000204255 [0,1,0,0,0,1|2,0,0]=4 1725 B18R2.741502 COC(=O)CCOc1cncc2c1cccc2 34a_100000066178_100000742370 [0,1,0,0,0,1|1,0,1]=4 1726 B18R2.741502 COC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000204255 [0,1,0,0,0,1|1,0,1]=4 1727 B18R2.741502 COC(=O)CCOc1nccc2c1cccc2 34a_102531767632_100000742370 [0,1,0,0,0,1|2,0,0]=4 1728 B18R2.741502 COC(=O)CCSc1cccc2c1cccc2 62a_100000204255_100000210605 [0,1,0,0,0,1|2,0,0]=4 1729 B18R2.741502 COC(=O)CCSc1ccnc2c1cccc2 62a_100000204255_100011215880 [0,1,0,0,0,1|1,0,1]=4 1730 B18R2.741502 COC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000204255 [0,1,0,0,0,1|1,0,1]=4 1731 B18R2.741502 COC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000204255 [0,1,0,0,0,1|1,0,1]=4 1732 B18R2.741502 COC(=O)CCSc1cncc2c1cccc2 62a_100000204255_100000187577 [0,1,0,0,0,1|1,0,1]=4 1733 B18R2.741502 COC(=O)CCSc1cnnc2c1cccc2 62a_100000204255_100000063506 [0,1,0,0,0,1|1,0,1]=4 1734 B18R2.741502 COC(=O)CCSc1nccc2c1cccc2 62a_100000204255_100011934041 [0,1,0,0,0,1|2,0,0]=4 1735 B18R2.741502 COC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000204255 [0,1,0,0,0,1|2,0,0]=4 1736 B18R2.741502 COC(=O)CCSc1ncnc2c1cccc2 62a_100000204255_100000217608 [0,1,0,0,0,1|1,0,1]=4 1737 B18R2.741502 COC(=O)CCSc1ncnc2c1cccc2 62a_100000753007_100000204255 [0,1,0,0,0,1|1,0,1]=4 1738 B18R2.741502 COC(=O)CNCc1cccc2c1cccc2 34a_100000753325_100000747449 [0,1,0,0,0,1|2,0,0]=4 1739 B18R2.741502 COC(=O)COCc1cccc2c1cccc2 34a_100011216843_100000747449 [0,1,0,0,0,1|2,0,0]=4 1740 B18R2.741502 COC(=O)COCc1cccc2c1cccc2 7a_100011216843_100000747449 [0,1,0,0,0,1|2,0,0]=4 1741 B18R2.741502 COC(=O)CSCc1cccc2c1cccc2 62a_100000747449_100000188474 [0,1,0,0,0,1|2,0,0]=4 1742 B18R2.741502 COC(=O)CSCc1cccc2c1cccc2 62a_100011261445_100000747449 [0,1,0,0,0,1|2,0,0]=4 1743 B18R2.741502 COC(=O)CSCc1ccnc2c1cccc2 62a_100000747449_100015192512 [0,1,0,0,0,1|1,0,1]=4 1744 B18R2.741502 COC(=O)CSCc1ccnc2c1cccc2 62a_100015192512_100000747449 [0,1,0,0,0,1|1,0,1]=4 1745 B18R2.741502 COC(=O)CSCc1nccc2c1cccc2 62a_100000033776_100000747449 [0,1,0,0,0,1|2,0,0]=4 1746 B18R2.741502 COC(=O)CSCc1nccc2c1cccc2 62a_100000747449_100000033776 [0,1,0,0,0,1|2,0,0]=4 1747 B18R2.741502 O=C(CO)CCOc1cccc2c1cccc2 1458a_100000210174_100000745918 [0,1,0,0,0,1|2,0,0]=4 1748 B18R2.741502 O=C(CO)NCCc1cccc2c1cccc2 240690a_100000751862_100000210174 [0,1,0,0,0,1|2,0,0]=4 1749 B18R2.741502 O=C(CO)NCCc1cccc2c1cccc2 527a_100000751862_100000210174 [0,1,0,0,0,1|2,0,0]=4 1750 B18R2.2417296 C[C@H](NCc1cccc2c1cccc2)C(=O)O 269956a_100000743915_100000188474 [0,1,0,0,0,1|2,0,0]=4 1751 B18R2.2417296 C[C@H](NCc1ccnc2c1cccc2)C(=O)O 269956a_100000743915_100015192512 [0,1,0,0,0,1|1,0,1]=4 1752 B18R2.2417296 C[C@H](NCc1nccc2c1cccc2)C(=O)O 269956a_100000743915_100000033776 [0,1,0,0,0,1|2,0,0]=4 1753 B18R2.2880857 CN(CC(=O)O)Cc1cccc2c1cccc2 269956a_100000746989_100000188474 [0,1,0,0,0,1|2,0,0]=4 1754 B18R2.2880857 CN(CC(=O)O)Cc1ccnc2c1cccc2 269956a_100000746989_100015192512 [0,1,0,0,0,1|1,0,1]=4 1755 B18R2.2880857 CN(CC(=O)O)Cc1nccc2c1cccc2 269956a_100000746989_100000033776 [0,1,0,0,0,1|2,0,0]=4 1756 B18R2.1 CCC(=O)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000747405 [0,2,0,0,0,0|1,0,1]=4 1757 B18R2.1 CNC(=O)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000183359 [0,2,0,0,0,0|1,0,1]=4 1758 B18R2.1 COC(=O)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000747449 [0,2,0,0,0,0|0,0,1]=3 1759 B18R2.1 COC(=O)CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000747449 [0,2,0,0,0,0|1,0,1]=4 1760 B18R2.1 COC(=O)CC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000747449 [0,2,0,0,0,0|1,0,1]=4 1761 B18R2.1 COC(=O)CC(=O)Cc1csc2c1cccc2 1458a_100000211351_200000742921 [0,2,0,0,0,0|1,0,1]=4 1762 B18R2.1 COC(=O)CC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000747449 [0,2,0,0,0,0|1,0,1]=4 1763 B18R2.1 COC(=O)CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000747449 [0,2,0,0,0,0|1,0,1]=4 1764 B18R2.1 COC(=O)CC(C)Oc1csc2c1cccc2 34a_100000077758_100009817358 [0,2,0,0,0,0|2,0,0]=4 1765 B18R2.1 COC(=O)CC(C)Oc1csc2c1cccc2 7a_100000077758_100009817358 [0,2,0,0,0,0|2,0,0]=4 1766 B18R2.1 COC(=O)CC(C)Sc1c[nH]c2c1cccn2 62a_100009817358_100011934613 [0,2,0,0,0,0|2,0,0]=4 1767 B18R2.1 COC(=O)CC(C)Sc1c[nH]c2c1ccnc2 62a_100009817358_100010232032 [0,2,0,0,0,0|2,0,0]=4 1768 B18R2.1 COC(=O)CC(C)Sc1c[nH]c2c1cncc2 62a_100009817358_100000753697 [0,2,0,0,0,0|2,0,0]=4 1769 B18R2.1 COC(=O)CC(C)Sc1c[nH]c2c1nccc2 62a_100009817358_100009817151 [0,2,0,0,0,0|2,0,0]=4 1770 B18R2.1 COC(=O)CC(C)Sc1coc2c1cccc2 62a_100009817358_100009812202 [0,2,0,0,0,0|2,0,0]=4 1771 B18R2.1 COC(=O)CC(C)Sc1csc2c1cccc2 62a_100009817358_100009813928 [0,2,0,0,0,0|2,0,0]=4 1772 B18R2.1 COC(=O)CC(C)Sc1n[nH]c2c1cccc2 62a_100009817358_100000050141 [0,2,0,0,0,0|2,0,0]=4 1773 B18R2.1 COC(=O)CN(C)Cc1c[nH]c2c1ccnc2 270004a_100000198492_100000087688 [0,2,0,0,0,0|2,0,0]=4 1774 B18R2.1 COC(=O)CN(C)Cc1coc2c1cccc2 270004a_100000198492_100000688544 [0,2,0,0,0,0|2,0,0]=4 1775 B18R2.1 COC(=O)CN(C)Cc1csc2c1cccc2 2230a_100000198492_200000742921 [0,2,0,0,0,0|2,0,0]=4 1776 B18R2.1 COC(=O)CN(C)Cc1csc2c1cccc2 270004a_100000198492_100000239721 [0,2,0,0,0,0|2,0,0]=4 1777 B18R2.1 COC(=O)CN(C)Cc1n[nH]c2c1cccc2 270004a_100000198492_100000059708 [0,2,0,0,0,0|2,0,0]=4 1778 B18R2.9 C#CCC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100000184674 [0,2,0,0,0,0|1,0,0]=3 1779 B18R2.9 C#CCC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100011220946 [0,2,0,0,0,0|2,0,0]=4 1780 B18R2.9 C=CCC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100000210623 [0,2,0,0,0,0|1,0,0]=3 1781 B18R2.9 C=CCC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000210193 [0,2,0,0,0,0|2,0,0]=4 1782 B18R2.9 C=CCC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000210193 [0,2,0,0,0,0|2,0,0]=4 1783 B18R2.9 C=COC(=O)CNCc1csc2c1cccc2 34a_100000744611_100000036128 [0,2,0,0,0,0|2,0,0]=4 1784 B18R2.9 C=COC(=O)COCc1csc2c1cccc2 34a_100011219454_100000036128 [0,2,0,0,0,0|2,0,0]=4 1785 B18R2.9 C=COC(=O)CSCc1csc2c1cccc2 62a_100000036128_200000742921 [0,2,0,0,0,0|2,0,0]=4 1786 B18R2.9 C=COC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000036128 [0,2,0,0,0,0|2,0,0]=4 1787 B18R2.9 CC=CC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000210699 [0,2,0,0,0,0|2,0,0]=4 1788 B18R2.9 CCCC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100000210303 [0,2,0,0,0,0|1,0,0]=3 1789 B18R2.9 CCCC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000211992 [0,2,0,0,0,0|2,0,0]=4 1790 B18R2.9 CCCC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000211992 [0,2,0,0,0,0|2,0,0]=4 1791 B18R2.9 CCNC(=O)CCCc1c[nH]c2c1cccc2 11a_100015525214_100000181718 [0,2,0,0,0,0|1,0,0]=3 1792 B18R2.9 CCNC(=O)CCCc1c[nH]c2c1cccc2 240690a_100015525214_100000181718 [0,2,0,0,0,0|1,0,0]=3 1793 B18R2.9 CCNC(=O)CCCc1c[nH]c2c1cccc2 527a_100015525214_100000181718 [0,2,0,0,0,0|1,0,0]=3 1794 B18R2.9 CCNC(=O)NCCc1c[nH]c2c1cccc2 2708a_100000211132_100015525214 [0,2,0,0,0,0|2,0,0]=4 1795 B18R2.9 CCNC(=O)NCCc1c[nH]c2c1cccc2 2708a_100015525214_100000211132 [0,2,0,0,0,0|2,0,0]=4 1796 B18R2.9 CCNC(=O)NCCc1c[nH]c2c1cccc2 273464a_100000211132_100015525214 [0,2,0,0,0,0|2,0,0]=4 1797 B18R2.9 CCNC(=O)NCCc1c[nH]c2c1cccc2 273464a_100015525214_100000211132 [0,2,0,0,0,0|2,0,0]=4 1798 B18R2.9 CCNC(=O)NCCc1c[nH]c2c1cccc2 512a_100015525214_100000211132 [0,2,0,0,0,0|2,0,0]=4 1799 B18R2.9 CCOC(=O)CCOc1csc2c1cccc2 34a_100000077758_100000765890 [0,2,0,0,0,0|2,0,0]=4 1800 B18R2.9 CCOC(=O)CCOc1csc2c1cccc2 7a_100000077758_100011206558 [0,2,0,0,0,0|2,0,0]=4 1801 B18R2.9 CCOC(=O)CCSc1c[nH]c2c1cccn2 62a_100000765890_100011934613 [0,2,0,0,0,0|2,0,0]=4 1802 B18R2.9 CCOC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000765890_100010232032 [0,2,0,0,0,0|2,0,0]=4 1803 B18R2.9 CCOC(=O)CCSc1c[nH]c2c1cncc2 62a_100000765890_100000753697 [0,2,0,0,0,0|2,0,0]=4 1804 B18R2.9 CCOC(=O)CCSc1c[nH]c2c1nccc2 62a_100000765890_100009817151 [0,2,0,0,0,0|2,0,0]=4 1805 B18R2.9 CCOC(=O)CCSc1coc2c1cccc2 62a_100000765890_100009812202 [0,2,0,0,0,0|2,0,0]=4 1806 B18R2.9 CCOC(=O)CCSc1csc2c1cccc2 62a_100000765890_100009813928 [0,2,0,0,0,0|2,0,0]=4 1807 B18R2.9 CCOC(=O)CCSc1n[nH]c2c1cccc2 62a_100000765890_100000050141 [0,2,0,0,0,0|2,0,0]=4 1808 B18R2.9 CCOC(=O)CNCc1csc2c1cccc2 34a_100000744611_100000188475 [0,2,0,0,0,0|2,0,0]=4 1809 B18R2.9 CCOC(=O)COCc1csc2c1cccc2 34a_100011219454_100000188475 [0,2,0,0,0,0|2,0,0]=4 1810 B18R2.9 CCOC(=O)CSCc1csc2c1cccc2 62a_100000188475_200000742921 [0,2,0,0,0,0|2,0,0]=4 1811 B18R2.9 CCOC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000188475 [0,2,0,0,0,0|2,0,0]=4 1812 B18R2.9 CNCC(=O)NCCc1c[nH]c2c1cccc2 2230a_100000273014_200000210301 [0,2,0,0,0,0|2,0,0]=4 1813 B18R2.9 CNCC(=O)NCCc1c[nH]c2c1cccc2 2230a_106832991635_100000187262 [0,2,0,0,0,0|2,0,0]=4 1814 B18R2.9 CNCC(=O)NCCc1c[nH]c2c1cccc2 34a_100102657272_100000187262 [0,2,0,0,0,0|2,0,0]=4 1815 B18R2.9 CNCC(=O)NCCc1c[nH]c2c1cccc2 7a_106832991635_100000187262 [0,2,0,0,0,0|2,0,0]=4 1816 B18R2.9 CNNC(=O)CCCc1c[nH]c2c1cccc2 22a_100016993582_100000181718 [0,2,0,0,0,0|1,0,0]=3 1817 B18R2.9 CNNC(=O)NCCc1c[nH]c2c1cccc2 273464a_100000211132_100016993582 [0,2,0,0,0,0|2,0,0]=4 1818 B18R2.9 CNNC(=O)NCCc1c[nH]c2c1cccc2 512a_100016993582_100000211132 [0,2,0,0,0,0|2,0,0]=4 1819 B18R2.9 COCC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000210968 [0,2,0,0,0,0|1,0,0]=3 1820 B18R2.9 COCC(=O)NCCc1c[nH]c2c1cccc2 34a_100138415774_100000187262 [0,2,0,0,0,0|1,0,0]=3 1821 B18R2.9 COCC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000210968 [0,2,0,0,0,0|1,0,0]=3 1822 B18R2.9 COCC(=O)NCCc1coc2c1cccc2 11a_100011934666_100000210968 [0,2,0,0,0,0|2,0,0]=4 1823 B18R2.9 COCC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100000210968 [0,2,0,0,0,0|2,0,0]=4 1824 B18R2.9 COCC(=O)NCCc1coc2c1cccc2 240690a_100011934666_100000210968 [0,2,0,0,0,0|2,0,0]=4 1825 B18R2.9 COCC(=O)NCCc1coc2c1cccc2 527a_100011934666_100000210968 [0,2,0,0,0,0|2,0,0]=4 1826 B18R2.9 CSCC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000184570 [0,2,0,0,0,0|1,1,0]=4 1827 B18R2.9 CSCC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000184570 [0,2,0,0,0,0|1,1,0]=4 1828 B18R2.9 CSCC(=O)NCCc1c[nH]c2c1cccc2 62a_100000187262_200000210301 [0,2,0,0,0,0|1,1,0]=4 1829 B18R2.9 CSCC(=O)NCCc1c[nH]c2c1cccc2 62a_200000210301_100000187262 [0,2,0,0,0,0|1,1,0]=4 1830 B18R2.9 N#CCC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100011214920 [0,2,0,0,0,0|1,0,0]=3 1831 B18R2.9 N#CCC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100051588842 [0,2,0,0,0,0|2,0,0]=4 1832 B18R2.9 O=C(C=CBr)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100016273825 [0,2,0,0,0,0|2,0,0]=4 1833 B18R2.9 O=C(C=CCl)NCCc1c[nH]c2c1cccc2 240690a_100000211132_200016279998 [0,2,0,0,0,0|2,0,0]=4 1834 B18R2.9 O=C(CCF)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100011217306 [0,2,0,0,0,0|1,0,0]=3 1835 B18R2.9 O=C(CCO)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100000211926 [0,2,0,0,0,0|0,0,0]=2 1836 B18R2.9 O=C(CCO)CCCn1cnc2c1cccc2 1458a_100000740953_100000211926 [0,2,0,0,0,0|1,0,1]=4 1837 B18R2.9 O=C(CCO)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100011216618 [0,2,0,0,0,0|1,0,0]=3 1838 B18R2.9 O=C(CCO)NCCc1coc2c1cccc2 240690a_100011934666_100011216618 [0,2,0,0,0,0|2,0,0]=4 1839 B18R2.9 O=C(CNCc1csc2c1cccc2)NCO 34a_100000744611_100000185155 [0,2,0,0,0,0|2,0,0]=4 1840 B18R2.9 O=C(COCc1csc2c1cccc2)NCO 34a_100011219454_100000185155 [0,2,0,0,0,0|2,0,0]=4 1841 B18R2.9 O=C(CSCc1csc2c1cccc2)NCO 62a_100000185155_200000742921 [0,2,0,0,0,0|2,0,0]=4 1842 B18R2.9 O=C(CSCc1csc2c1cccc2)NCO 62a_200000742921_100000185155 [0,2,0,0,0,0|2,0,0]=4 1843 B18R2.9 [13CH3]NCC(=O)NCCc1c[nH]c2c1cccc2 2230a_100000273014_200025704644 [0,2,0,0,0,0|2,0,0]=4 1844 B18R2.9 [13CH3]SCC(=O)NCCc1c[nH]c2c1cccc2 62a_100000187262_200025704644 [0,2,0,0,0,0|1,1,0]=4 1845 B18R2.9 [13CH3]SCC(=O)NCCc1c[nH]c2c1cccc2 62a_200025704644_100000187262 [0,2,0,0,0,0|1,1,0]=4 1846 B18R2.37 CNC(=O)C(=O)CCc1c[nH]c2c1cccc2 1458a_100011218921_100011218569 [0,2,0,0,0,0|1,0,1]=4 1847 B18R2.37 COC(=O)C(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000024059 [0,2,0,0,0,0|1,0,1]=4 1848 B18R2.37 COC(=O)C(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000024059 [0,2,0,0,0,0|1,0,1]=4 1849 B18R2.37 COC(=O)C(C)COc1csc2c1cccc2 34a_100000077758_100000698445 [0,2,0,0,0,0|2,0,0]=4 1850 B18R2.37 COC(=O)C(C)CSc1c[nH]c2c1cccn2 62a_100000698445_100011934613 [0,2,0,0,0,0|2,0,0]=4 1851 B18R2.37 COC(=O)C(C)CSc1c[nH]c2c1ccnc2 62a_100000698445_100010232032 [0,2,0,0,0,0|2,0,0]=4 1852 B18R2.37 COC(=O)C(C)CSc1c[nH]c2c1cncc2 62a_100000698445_100000753697 [0,2,0,0,0,0|2,0,0]=4 1853 B18R2.37 COC(=O)C(C)CSc1c[nH]c2c1nccc2 62a_100000698445_100009817151 [0,2,0,0,0,0|2,0,0]=4 1854 B18R2.37 COC(=O)C(C)CSc1coc2c1cccc2 62a_100000698445_100009812202 [0,2,0,0,0,0|2,0,0]=4 1855 B18R2.37 COC(=O)C(C)CSc1csc2c1cccc2 62a_100000698445_100009813928 [0,2,0,0,0,0|2,0,0]=4 1856 B18R2.37 COC(=O)C(C)CSc1n[nH]c2c1cccc2 62a_100000698445_100000050141 [0,2,0,0,0,0|2,0,0]=4 1857 B18R2.37 COC(=O)C(C)NCc1csc2c1cccc2 34a_100000744611_100000211248 [0,2,0,0,0,0|2,0,0]=4 1858 B18R2.37 COC(=O)C(C)OCc1csc2c1cccc2 34a_100011215400_200000742921 [0,2,0,0,0,0|2,0,0]=4 1859 B18R2.37 COC(=O)C(C)OCc1csc2c1cccc2 34a_100011219454_100000211248 [0,2,0,0,0,0|2,0,0]=4 1860 B18R2.37 COC(=O)C(C)SCc1csc2c1cccc2 62a_100000211248_200000742921 [0,2,0,0,0,0|2,0,0]=4 1861 B18R2.37 COC(=O)C(C)SCc1csc2c1cccc2 62a_200000742921_100000211248 [0,2,0,0,0,0|2,0,0]=4 1862 B18R2.313 C=CC(=O)NCCc1c[nH]c2c1cccc2C 240690a_100015184521_200121576911 [0,2,0,0,0,0|2,0,0]=4 1863 B18R2.313 CCC(=O)NCCc1c[nH]c2c1cccc2C 11a_100015184521_100000210414 [0,2,0,0,0,0|2,0,0]=4 1864 B18R2.313 CCC(=O)NCCc1c[nH]c2c1cccc2C 240690a_100015184521_100000210414 [0,2,0,0,0,0|2,0,0]=4 1865 B18R2.313 CCC(=O)NCCc1c[nH]c2c1cccc2C 527a_100015184521_100000210414 [0,2,0,0,0,0|2,0,0]=4 1866 B18R2.313 CNC(=O)CNCc1c[nH]c2c1cccc2Br 270004a_100000693194_100009814786 [0,2,0,0,0,0|2,0,0]=4 1867 B18R2.313 CNC(=O)CNCc1c[nH]c2c1cccc2C 270004a_100000693194_100000040139 [0,2,0,0,0,0|2,0,0]=4 1868 B18R2.313 CNC(=O)CNCc1c[nH]c2c1cccc2Cl 270004a_100000693194_100011361501 [0,2,0,0,0,0|2,0,0]=4 1869 B18R2.313 CNC(=O)NCCc1c[nH]c2c1cccc2C 2708a_100015184521_106832991635 [0,2,0,0,0,0|2,0,0]=4 1870 B18R2.313 CNC(=O)NCCc1c[nH]c2c1cccc2C 2708a_100102657272_100015184521 [0,2,0,0,0,0|2,0,0]=4 1871 B18R2.313 CNC(=O)NCCc1c[nH]c2c1cccc2C 273464a_100015184521_100102657272 [0,2,0,0,0,0|2,0,0]=4 1872 B18R2.313 CNC(=O)NCCc1c[nH]c2c1cccc2C 273464a_100102657272_100015184521 [0,2,0,0,0,0|2,0,0]=4 1873 B18R2.313 CNC(=O)NCCc1c[nH]c2c1cccc2C 512a_100015184521_100102657272 [0,2,0,0,0,0|2,0,0]=4 1874 B18R2.313 CNC(=O)NCCc1c[nH]c2c1cccc2C 512a_106832991638_100015184521 [0,2,0,0,0,0|2,0,0]=4 1875 B18R2.313 COC(=O)CCSc1c[nH]c2c1nccc2Cl 62a_100000204255_100010168581 [0,2,0,0,0,0|2,0,0]=4 1876 B18R2.313 COC(=O)CCSc1n[nH]c2c1cccc2Br 62a_100000204255_100010197283 [0,2,0,0,0,0|2,0,0]=4 1877 B18R2.313 COC(=O)CCSc1n[nH]c2c1cccc2C 62a_100000204255_100010186057 [0,2,0,0,0,0|2,0,0]=4 1878 B18R2.313 COC(=O)CCSc1n[nH]c2c1cccc2Cl 62a_100000204255_100000050086 [0,2,0,0,0,0|2,0,0]=4 1879 B18R2.313 COC(=O)CCSc1n[nH]c2c1cccc2F 62a_100000204255_100010231504 [0,2,0,0,0,0|2,0,0]=4 1880 B18R2.313 COC(=O)CCSc1n[nH]c2c1cccc2N 62a_100000204255_100009888981 [0,2,0,0,0,0|2,0,0]=4 1881 B18R2.313 COC(=O)CCSc1n[nH]c2c1cccc2O 62a_100000204255_200010988877 [0,2,0,0,0,0|2,0,0]=4 1882 B18R2.313 Cc1cccc2c1[nH]cc2CCNC(=O)CO 240690a_100015184521_100000210174 [0,2,0,0,0,0|1,0,0]=3 1883 B18R2.313 Cc1cccc2c1[nH]cc2CCNC(=O)CO 527a_100015184521_100000210174 [0,2,0,0,0,0|1,0,0]=3 1884 B18R2.101402 CNC(=O)CNCc1cn(c2c1cccc2)C 34a_100011997738_100000183359 [0,2,0,0,0,0|2,0,0]=4 1885 B18R2.101402 COC(=O)CCSc1cn(c2c1cccn2)C 62a_100000204255_100010205794 [0,2,0,0,0,0|2,0,0]=4 1886 B18R2.101402 COC(=O)CCSc1nn(c2c1cccc2)C 62a_100000204255_100009817141 [0,2,0,0,0,0|2,0,0]=4 1887 B18R2.101402 COC(=O)CCSc1nn(c2c1cccc2)C 62a_100009817141_100000204255 [0,2,0,0,0,0|2,0,0]=4 1888 B18R2.101402 COC(=O)CNCc1cn(c2c1cccc2)C 34a_100011997738_100000747449 [0,2,0,0,0,0|1,0,0]=3 1889 B18R2.101402 COC(=O)CNCc1nn(c2c1cccc2)C 34a_200011934655_100000747449 [0,2,0,0,0,0|2,0,0]=4 1890 B18R2.101402 COC(=O)COCc1nn(c2c1cccc2)C 34a_100011934675_100000747449 [0,2,0,0,0,0|2,0,0]=4 1891 B18R2.101408 C#CC(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000211873_100000184716 [0,2,0,0,0,0|2,0,0]=4 1892 B18R2.101408 C=CC(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000185746_100000184716 [0,2,0,0,0,0|2,0,0]=4 1893 B18R2.101408 C=CC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_200121576911 [0,2,0,0,0,0|2,0,0]=4 1894 B18R2.101408 CCC(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000047366_100000210202 [0,2,0,0,0,0|2,0,0]=4 1895 B18R2.101408 CCC(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000210414_100000184716 [0,2,0,0,0,0|2,0,0]=4 1896 B18R2.101408 CCC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100000210414 [0,2,0,0,0,0|2,0,0]=4 1897 B18R2.101408 CCC(=O)NCCc1c([nH]c2c1cccc2)C 527a_100000750322_100000210414 [0,2,0,0,0,0|2,0,0]=4 1898 B18R2.101408 CNC(=O)CCCn1c(=O)[nH]c2c1cccc2 240690a_100102657272_100000047366 [0,2,0,0,0,0|2,0,0]=4 1899 B18R2.101408 CNC(=O)CCCn1c(=O)[nH]c2c1cccc2 527a_100102657272_100000047366 [0,2,0,0,0,0|2,0,0]=4 1900 B18R2.101408 CNC(=O)NCCc1c([nH]c2c1cccc2)C 2708a_100000750322_106832991635 [0,2,0,0,0,0|2,0,0]=4 1901 B18R2.101408 CNC(=O)NCCc1c([nH]c2c1cccc2)C 2708a_100102657272_100000750322 [0,2,0,0,0,0|2,0,0]=4 1902 B18R2.101408 CNC(=O)NCCc1c([nH]c2c1cccc2)C 273464a_100000750322_100102657272 [0,2,0,0,0,0|2,0,0]=4 1903 B18R2.101408 CNC(=O)NCCc1c([nH]c2c1cccc2)C 273464a_100102657272_100000750322 [0,2,0,0,0,0|2,0,0]=4 1904 B18R2.101408 CNC(=O)NCCc1c([nH]c2c1cccc2)C 512a_100000750322_100102657272 [0,2,0,0,0,0|2,0,0]=4 1905 B18R2.101408 CNC(=O)NCCc1c([nH]c2c1cccc2)C 512a_106832991638_100000750322 [0,2,0,0,0,0|2,0,0]=4 1906 B18R2.101408 COC(=O)CCSC1C(=O)Nc2c1cccc2 62a_100000204255_200009996675 [0,2,0,0,0,0|1,0,1]=4 1907 B18R2.101408 COC(=O)CCSc1c([nH]c2c1cccn2)C 62a_100000204255_100010174266 [0,2,0,0,0,0|2,0,0]=4 1908 B18R2.101408 COC(=O)CCSc1c(oc2c1cccc2)C 62a_100000204255_200010236113 [0,2,0,0,0,0|2,0,0]=4 1909 B18R2.101408 COC(=O)CCSc1c(sc2c1cccc2)C 62a_100000204255_100010002616 [0,2,0,0,0,0|2,0,0]=4 1910 B18R2.101408 COC(=O)CCSc1c(sc2c1cccc2)C 62a_100010002616_100000204255 [0,2,0,0,0,0|2,0,0]=4 1911 B18R2.101408 Cc1[nH]c2ccccc2c1CCNC(=O)CO 240690a_100000750322_100000210174 [0,2,0,0,0,0|1,0,0]=3 1912 B18R2.101408 Cc1[nH]c2ccccc2c1CCNC(=O)CO 527a_100000750322_100000210174 [0,2,0,0,0,0|1,0,0]=3 1913 B18R2.101408 O=C(CF)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000047366_100015361967 [0,2,0,0,0,0|2,0,0]=4 1914 B18R2.101408 O=C(CO)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000210174_100000184716 [0,2,0,0,0,0|1,0,0]=3 1915 B18R2.101408 O=C(CO)NCCC1C(=O)Nc2c1cccc2 240690a_100000737811_100000210174 [0,2,0,0,0,0|1,0,1]=4 1916 B18R2.101408 O=C(CO)NCCn1c(=O)[nH]c2c1cccc2 240690a_203549771432_100000210174 [0,2,0,0,0,0|2,0,0]=4 1917 B18R2.101408 O=C(CO)NCCn1c(=O)[nH]c2c1cccc2 527a_203549771432_100000210174 [0,2,0,0,0,0|2,0,0]=4 1918 B18R2.102090 C=CC(=O)NCCc1c[nH]c2c1ccc(c2)C 240690a_100000709966_200121576911 [0,2,0,0,0,0|2,0,0]=4 1919 B18R2.102090 C=CC(=O)NCCc1c[nH]c2c1ccc(c2)F 240690a_100000709932_200121576911 [0,2,0,0,0,0|2,0,0]=4 1920 B18R2.102090 CCC(=O)NCCc1c[nH]c2c1ccc(c2)C 11a_100000709966_100000210414 [0,2,0,0,0,0|2,0,0]=4 1921 B18R2.102090 CCC(=O)NCCc1c[nH]c2c1ccc(c2)C 240690a_100000709966_100000210414 [0,2,0,0,0,0|2,0,0]=4 1922 B18R2.102090 CCC(=O)NCCc1c[nH]c2c1ccc(c2)C 527a_100000709966_100000210414 [0,2,0,0,0,0|2,0,0]=4 1923 B18R2.102090 CCC(=O)NCCc1c[nH]c2c1ccc(c2)F 11a_100000709932_100000210414 [0,2,0,0,0,0|2,0,0]=4 1924 B18R2.102090 CCC(=O)NCCc1c[nH]c2c1ccc(c2)F 240690a_100000709932_100000210414 [0,2,0,0,0,0|2,0,0]=4 1925 B18R2.102090 CCC(=O)NCCc1c[nH]c2c1ccc(c2)F 527a_100000709932_100000210414 [0,2,0,0,0,0|2,0,0]=4 1926 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)C 2708a_100000709966_106832991635 [0,2,0,0,0,0|2,0,0]=4 1927 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)C 2708a_100102657272_100000709966 [0,2,0,0,0,0|2,0,0]=4 1928 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)C 273464a_100000709966_100102657272 [0,2,0,0,0,0|2,0,0]=4 1929 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)C 273464a_100102657272_100000709966 [0,2,0,0,0,0|2,0,0]=4 1930 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)C 512a_100000709966_100102657272 [0,2,0,0,0,0|2,0,0]=4 1931 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)C 512a_106832991638_100000709966 [0,2,0,0,0,0|2,0,0]=4 1932 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)F 2708a_100000709932_106832991635 [0,2,0,0,0,0|2,0,0]=4 1933 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)F 2708a_100102657272_100000709932 [0,2,0,0,0,0|2,0,0]=4 1934 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)F 273464a_100000709932_100102657272 [0,2,0,0,0,0|2,0,0]=4 1935 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)F 273464a_100102657272_100000709932 [0,2,0,0,0,0|2,0,0]=4 1936 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)F 512a_100000709932_100102657272 [0,2,0,0,0,0|2,0,0]=4 1937 B18R2.102090 CNC(=O)NCCc1c[nH]c2c1ccc(c2)F 512a_106832991638_100000709932 [0,2,0,0,0,0|2,0,0]=4 1938 B18R2.102090 COC(=O)CCSc1c[nH]c2c1ccc(n2)Cl 62a_100000204255_100010168512 [0,2,0,0,0,0|2,0,0]=4 1939 B18R2.102090 COC(=O)CCSc1c[nH]c2c1ccc(n2)F 62a_100000204255_100010168364 [0,2,0,0,0,0|2,0,0]=4 1940 B18R2.102090 COC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100000204255_100010206817 [0,2,0,0,0,0|2,0,0]=4 1941 B18R2.102090 COC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000204255 [0,2,0,0,0,0|2,0,0]=4 1942 B18R2.102090 COC(=O)CCSc1c[nH]c2c1cnc(c2)Cl 62a_100000204255_100010206812 [0,2,0,0,0,0|2,0,0]=4 1943 B18R2.102090 COC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100000204255_100010208019 [0,2,0,0,0,0|2,0,0]=4 1944 B18R2.102090 COC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000204255 [0,2,0,0,0,0|2,0,0]=4 1945 B18R2.102090 COC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100000204255_100010186045 [0,2,0,0,0,0|2,0,0]=4 1946 B18R2.102090 COC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000204255 [0,2,0,0,0,0|2,0,0]=4 1947 B18R2.102090 COC(=O)CCSc1n[nH]c2c1ccc(c2)C 62a_100000204255_100000049534 [0,2,0,0,0,0|2,0,0]=4 1948 B18R2.102090 COC(=O)CCSc1n[nH]c2c1ccc(c2)Cl 62a_100000204255_100000049627 [0,2,0,0,0,0|2,0,0]=4 1949 B18R2.102090 COC(=O)CCSc1n[nH]c2c1ccc(c2)F 62a_100000204255_100000049990 [0,2,0,0,0,0|2,0,0]=4 1950 B18R2.102090 COC(=O)CCSc1n[nH]c2c1ccc(c2)N 62a_100000204255_100009816878 [0,2,0,0,0,0|2,0,0]=4 1951 B18R2.102090 Cc1ccc2c(c[nH]c2c1)CCNC(=O)CO 240690a_100000709966_100000210174 [0,2,0,0,0,0|1,0,0]=3 1952 B18R2.102090 Cc1ccc2c(c[nH]c2c1)CCNC(=O)CO 527a_100000709966_100000210174 [0,2,0,0,0,0|1,0,0]=3 1953 B18R2.102090 O=C(CO)NCCc1c[nH]c2c1ccc(c2)F 240690a_100000709932_100000210174 [0,2,0,0,0,0|1,0,0]=3 1954 B18R2.102090 O=C(CO)NCCc1c[nH]c2c1ccc(c2)F 527a_100000709932_100000210174 [0,2,0,0,0,0|1,0,0]=3 1955 B18R2.746173 COC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100000204255_100010212587 [0,2,0,0,0,0|2,0,0]=4 1956 B18R2.746173 COC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000204255 [0,2,0,0,0,0|2,0,0]=4 1957 B18R2.746173 COC(=O)CCSc1c[nH]c2c1c(ccn2)Cl 62a_100000204255_100011356983 [0,2,0,0,0,0|2,0,0]=4 1958 B18R2.746173 COC(=O)CCSc1c[nH]c2c1c(ccn2)F 62a_100000204255_100010168365 [0,2,0,0,0,0|2,0,0]=4 1959 B18R2.746173 COC(=O)CCSc1n[nH]c2c1c(ccc2)Br 62a_100000204255_100010186043 [0,2,0,0,0,0|2,0,0]=4 1960 B18R2.746173 COC(=O)CCSc1n[nH]c2c1c(ccc2)C 62a_100000204255_100000049903 [0,2,0,0,0,0|2,0,0]=4 1961 B18R2.746173 COC(=O)CCSc1n[nH]c2c1c(ccc2)Cl 62a_100000204255_100000049730 [0,2,0,0,0,0|2,0,0]=4 1962 B18R2.746173 COC(=O)CCSc1n[nH]c2c1c(ccc2)F 62a_100000204255_100000049989 [0,2,0,0,0,0|2,0,0]=4 1963 B18R2.746173 COC(=O)CCSc1n[nH]c2c1c(ccc2)N 62a_100000204255_100010186038 [0,2,0,0,0,0|2,0,0]=4 1964 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_200121576911 [0,2,0,0,0,0|2,0,0]=4 1965 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_200121576911 [0,2,0,0,0,0|2,0,0]=4 1966 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_200121576911 [0,2,0,0,0,0|2,0,0]=4 1967 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_200121576911 [0,2,0,0,0,0|2,0,0]=4 1968 B18R2.746213 C=CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_200121576911 [0,2,0,0,0,0|2,0,0]=4 1969 B18R2.746213 CCC(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_100000210202 [0,2,0,0,0,0|1,0,0]=3 1970 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100000210414 [0,2,0,0,0,0|2,0,0]=4 1971 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100000210414 [0,2,0,0,0,0|2,0,0]=4 1972 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100000210414 [0,2,0,0,0,0|2,0,0]=4 1973 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100000210414 [0,2,0,0,0,0|2,0,0]=4 1974 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100000210414 [0,2,0,0,0,0|2,0,0]=4 1975 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 11a_100000763428_100000210414 [0,2,0,0,0,0|2,0,0]=4 1976 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100000210414 [0,2,0,0,0,0|2,0,0]=4 1977 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100000210414 [0,2,0,0,0,0|2,0,0]=4 1978 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)F 11a_100000725365_100000210414 [0,2,0,0,0,0|2,0,0]=4 1979 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100000210414 [0,2,0,0,0,0|2,0,0]=4 1980 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100000210414 [0,2,0,0,0,0|2,0,0]=4 1981 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100000210414 [0,2,0,0,0,0|2,0,0]=4 1982 B18R2.746213 CCC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100000210414 [0,2,0,0,0,0|2,0,0]=4 1983 B18R2.746213 CNC(=O)CCCc1c[nH]c2c1cc(cc2)F 11a_106832991635_100000067597 [0,2,0,0,0,0|1,0,0]=3 1984 B18R2.746213 CNC(=O)CCCc1c[nH]c2c1cc(cc2)F 240690a_100102657272_100000067597 [0,2,0,0,0,0|1,0,0]=3 1985 B18R2.746213 CNC(=O)CCCc1c[nH]c2c1cc(cc2)F 527a_100102657272_100000067597 [0,2,0,0,0,0|1,0,0]=3 1986 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 2708a_100016990496_106832991635 [0,2,0,0,0,0|2,0,0]=4 1987 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 2708a_100102657272_100016990496 [0,2,0,0,0,0|2,0,0]=4 1988 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 273464a_100016990496_100102657272 [0,2,0,0,0,0|2,0,0]=4 1989 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 273464a_100102657272_100016990496 [0,2,0,0,0,0|2,0,0]=4 1990 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 512a_100016990496_100102657272 [0,2,0,0,0,0|2,0,0]=4 1991 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Br 512a_106832991638_100016990496 [0,2,0,0,0,0|2,0,0]=4 1992 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 2708a_100000008874_106832991635 [0,2,0,0,0,0|2,0,0]=4 1993 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 2708a_100102657272_100000008874 [0,2,0,0,0,0|2,0,0]=4 1994 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 273464a_100000008874_100102657272 [0,2,0,0,0,0|2,0,0]=4 1995 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 273464a_100102657272_100000008874 [0,2,0,0,0,0|2,0,0]=4 1996 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)C 512a_106832991638_100000008874 [0,2,0,0,0,0|2,0,0]=4 1997 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 2708a_100000763428_106832991635 [0,2,0,0,0,0|2,0,0]=4 1998 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 2708a_100102657272_100000763428 [0,2,0,0,0,0|2,0,0]=4 1999 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 273464a_100102657272_100000763428 [0,2,0,0,0,0|2,0,0]=4 2000 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 512a_106832991638_100000763428 [0,2,0,0,0,0|2,0,0]=4 2001 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 2708a_100000725365_106832991635 [0,2,0,0,0,0|2,0,0]=4 2002 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 2708a_100102657272_100000725365 [0,2,0,0,0,0|2,0,0]=4 2003 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 273464a_100000725365_100102657272 [0,2,0,0,0,0|2,0,0]=4 2004 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 273464a_100102657272_100000725365 [0,2,0,0,0,0|2,0,0]=4 2005 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 512a_100000725365_100102657272 [0,2,0,0,0,0|2,0,0]=4 2006 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)F 512a_106832991638_100000725365 [0,2,0,0,0,0|2,0,0]=4 2007 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 2708a_100000009091_106832991635 [0,2,0,0,0,0|2,0,0]=4 2008 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 2708a_100102657272_100000009091 [0,2,0,0,0,0|2,0,0]=4 2009 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 273464a_100000009091_100102657272 [0,2,0,0,0,0|2,0,0]=4 2010 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 273464a_100102657272_100000009091 [0,2,0,0,0,0|2,0,0]=4 2011 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 512a_100000009091_100102657272 [0,2,0,0,0,0|2,0,0]=4 2012 B18R2.746213 CNC(=O)NCCc1c[nH]c2c1cc(cc2)O 512a_106832991638_100000009091 [0,2,0,0,0,0|2,0,0]=4 2013 B18R2.746213 COC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100000204255_100011290788 [0,2,0,0,0,0|2,0,0]=4 2014 B18R2.746213 COC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000204255 [0,2,0,0,0,0|2,0,0]=4 2015 B18R2.746213 COC(=O)CCSc1c[nH]c2c1cc(cn2)C 62a_100000204255_100010246215 [0,2,0,0,0,0|2,0,0]=4 2016 B18R2.746213 COC(=O)CCSc1c[nH]c2c1cc(cn2)Cl 62a_100000204255_100000050100 [0,2,0,0,0,0|2,0,0]=4 2017 B18R2.746213 COC(=O)CCSc1c[nH]c2c1cc(cn2)F 62a_100000204255_100010168383 [0,2,0,0,0,0|2,0,0]=4 2018 B18R2.746213 COC(=O)CCSc1c[nH]c2c1cc(cn2)N 62a_100000204255_100010168510 [0,2,0,0,0,0|2,0,0]=4 2019 B18R2.746213 COC(=O)CCSc1c[nH]c2c1cc(nc2)Cl 62a_100000204255_100010168685 [0,2,0,0,0,0|2,0,0]=4 2020 B18R2.746213 COC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100000204255_100010168532 [0,2,0,0,0,0|2,0,0]=4 2021 B18R2.746213 COC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000204255 [0,2,0,0,0,0|2,0,0]=4 2022 B18R2.746213 COC(=O)CCSc1c[nH]c2c1nc(cc2)C 62a_100000204255_100010212567 [0,2,0,0,0,0|2,0,0]=4 2023 B18R2.746213 COC(=O)CCSc1c[nH]c2c1nc(cc2)Cl 62a_100000204255_100010168529 [0,2,0,0,0,0|2,0,0]=4 2024 B18R2.746213 COC(=O)CCSc1csc2c1cc(cc2)N 62a_100000204255_100011178648 [0,2,0,0,0,0|2,0,0]=4 2025 B18R2.746213 COC(=O)CCSc1csc2c1cc(cc2)N 62a_100011178648_100000204255 [0,2,0,0,0,0|2,0,0]=4 2026 B18R2.746213 COC(=O)CCSc1n[nH]c2c1cc(cc2)Br 62a_100000204255_100010186058 [0,2,0,0,0,0|2,0,0]=4 2027 B18R2.746213 COC(=O)CCSc1n[nH]c2c1cc(cc2)C 62a_100000204255_100000123028 [0,2,0,0,0,0|2,0,0]=4 2028 B18R2.746213 COC(=O)CCSc1n[nH]c2c1cc(cc2)Cl 62a_100000204255_100010174404 [0,2,0,0,0,0|2,0,0]=4 2029 B18R2.746213 COC(=O)CCSc1n[nH]c2c1cc(cc2)F 62a_100000204255_100011934747 [0,2,0,0,0,0|2,0,0]=4 2030 B18R2.746213 COC(=O)CCSc1n[nH]c2c1cc(cc2)N 62a_100000204255_100012353729 [0,2,0,0,0,0|2,0,0]=4 2031 B18R2.746213 COC(=O)COCc1csc2c1cc(cc2)Cl 34a_200000043707_100000747449 [0,2,0,0,0,0|2,0,0]=4 2032 B18R2.746213 COC(=O)COCc1csc2c1cc(cc2)Cl 7a_200000043707_100000747449 [0,2,0,0,0,0|2,0,0]=4 2033 B18R2.746213 COC(=O)CSCc1csc2c1cc(cc2)Cl 62a_100000747449_100009814428 [0,2,0,0,0,0|2,0,0]=4 2034 B18R2.746213 COC(=O)CSCc1csc2c1cc(cc2)Cl 62a_100009814428_100000747449 [0,2,0,0,0,0|2,0,0]=4 2035 B18R2.746213 COC(=O)CSCc1csc2c1cc(cc2)F 62a_100000747449_100010109839 [0,2,0,0,0,0|2,0,0]=4 2036 B18R2.746213 COC(=O)CSCc1csc2c1cc(cc2)F 62a_100010109839_100000747449 [0,2,0,0,0,0|2,0,0]=4 2037 B18R2.746213 Cc1ccc2[nH]cc(c2c1)CCNC(=O)CO 240690a_100000008874_100000210174 [0,2,0,0,0,0|1,0,0]=3 2038 B18R2.746213 Cc1ccc2[nH]cc(c2c1)CCNC(=O)CO 527a_100000008874_100000210174 [0,2,0,0,0,0|1,0,0]=3 2039 B18R2.746213 O=C(CF)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_100015361967 [0,2,0,0,0,0|1,0,0]=3 2040 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100000210174 [0,2,0,0,0,0|1,0,0]=3 2041 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100000210174 [0,2,0,0,0,0|1,0,0]=3 2042 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100000210174 [0,2,0,0,0,0|1,0,0]=3 2043 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100000210174 [0,2,0,0,0,0|1,0,0]=3 2044 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100000210174 [0,2,0,0,0,0|1,0,0]=3 2045 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100000210174 [0,2,0,0,0,0|1,0,0]=3 2046 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100000210174 [0,2,0,0,0,0|1,0,0]=3 2047 B18R2.746213 O=C(CO)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100000210174 [0,2,0,0,0,0|1,0,0]=3 2048 B18R2.746213 O=C(CO)NCCc1csc2c1cc(cc2)Br 240690a_100016989105_100000210174 [0,2,0,0,0,0|2,0,0]=4 2049 B18R2.746213 O=C(CO)NCCc1csc2c1cc(cc2)Br 527a_100016989105_100000210174 [0,2,0,0,0,0|2,0,0]=4 2050 B18R2.38 CC(=O)C(C)C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000179758 [0,2,0,0,0,0|1,0,1]=4 2051 B18R2.38 CC(C(=O)N)C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000702099 [0,2,0,0,0,0|1,0,1]=4 2052 B18R2.38 CC(C(=O)O)N(C)Cc1csc2c1cccc2 269956a_100000749554_200000742921 [0,2,0,0,0,0|2,0,0]=4 2053 B18R2.38 NC(=O)C(F)C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100009813875 [0,2,0,0,0,0|1,0,1]=4 2054 B18R2.38 O=C([O-])C(F)C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100020610796 [0,2,0,0,0,0|0,0,2]=4 2055 B18R2.200 C=C[C@H](NCc1csc2c1cccc2)C(=O)O 269956a_100016992060_200000742921 [0,2,0,0,0,0|2,0,0]=4 2056 B18R2.200 CC[C@@H](NCc1csc2c1cccc2)C(=O)O 269956a_100000747097_200000742921 [0,2,0,0,0,0|2,0,0]=4 2057 B18R2.200 O=C(O)C(CO)NCc1csc2c1cccc2 269956a_100000187304_200000742921 [0,2,0,0,0,0|2,0,0]=4 2058 B18R2.6178 CC(CNC1C(=O)Nc2c1cccc2)C(=O)O 269956a_100000749485_200009996675 [0,2,0,0,0,0|1,0,1]=4 2059 B18R2.6178 O=C(O)C(F)CNC1C(=O)Nc2c1cccc2 269956a_100000084737_200009996675 [0,2,0,0,0,0|1,0,1]=4 2060 B18R2.59520 C[C@@H](NCc1c[nH]c2c1cccc2Br)C(=O)N 270004a_100000119354_100009814786 [0,2,0,0,0,0|2,0,0]=4 2061 B18R2.59520 C[C@@H](NCc1c[nH]c2c1cccc2Cl)C(=O)N 270004a_100000119354_100011361501 [0,2,0,0,0,0|2,0,0]=4 2062 B18R2.59520 Cc1cccc2c1[nH]cc2CN[C@H](C)C(=O)N 270004a_100000119354_100000040139 [0,2,0,0,0,0|2,0,0]=4 2063 B18R2.345422 C[C@H](NCc1csc2c1cc(cc2)Cl)C(=O)O 269956a_100000743915_100009814428 [0,2,0,0,0,0|2,0,0]=4 2064 B18R2.345422 C[C@H](NCc1csc2c1cc(cc2)F)C(=O)O 269956a_100000743915_100010109839 [0,2,0,0,0,0|2,0,0]=4 2065 B18R2.978763 CC(NCc1cn(c2c1cccc2)C)C(=O)N 34a_100011997738_100000702099 [0,2,0,0,0,0|2,0,0]=4 2066 B18R2.978763 Cn1cc(c2c1cccc2)CNC(F)C(=O)N 34a_100011997738_100009813875 [0,2,0,0,0,0|2,0,0]=4 2067 B18R2.978763 Cn1cc(c2c1cccc2)CNC(F)C(=O)[O-] 34a_100011997738_100020610796 [0,2,0,0,0,0|1,0,1]=4 2068 B18R2.371 CC(=O)N[C@@H](CO)Cc1c[nH]c2c1cccc2 240690a_100102526151_100015343762 [0,2,0,0,0,0|2,0,0]=4 2069 B18R2.371 CC(=O)N[C@@H](CO)Cc1c[nH]c2c1cccc2 527a_100102526151_100103153847 [0,2,0,0,0,0|2,0,0]=4 2070 B18R2.371 CCN(CC(=O)O)Cc1csc2c1cccc2 269956a_100000746405_200000742921 [0,2,0,0,0,0|2,0,0]=4 2071 B18R2.32945 NC(=O)CC(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_100000187820 [0,2,0,0,0,0|1,0,1]=4 2072 B18R2.32945 NC(=O)CC(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_100000187820 [0,2,0,0,0,0|1,0,1]=4 2073 B18R2.32945 NC(=O)CC(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_100000187820 [0,2,0,0,0,0|1,0,1]=4 2074 B18R2.32945 O=C([O-])CC(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_100020667443 [0,2,0,0,0,0|0,0,2]=4 2075 B18R2.32945 O=C([O-])CC(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_100020667443 [0,2,0,0,0,0|0,0,2]=4 2076 B18R2.32945 O=C([O-])CC(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_100020667443 [0,2,0,0,0,0|0,0,2]=4 2077 B18R2.59524 CN(CC(=O)N)Cc1c[nH]c2c1cccc2Br 270004a_100000739694_100009814786 [0,2,0,0,0,0|2,0,0]=4 2078 B18R2.59524 CN(CC(=O)N)Cc1c[nH]c2c1cccc2Cl 270004a_100000739694_100011361501 [0,2,0,0,0,0|2,0,0]=4 2079 B18R2.59524 Cc1cccc2c1[nH]cc2CC(=O)CC(=O)N 1458a_200000049093_100000187820 [0,2,0,0,0,0|1,0,1]=4 2080 B18R2.59524 Cc1cccc2c1[nH]cc2CC(=O)CC(=O)[O-] 1458a_200000049093_100020667443 [0,2,0,0,0,0|0,0,2]=4 2081 B18R2.59524 Cc1cccc2c1[nH]cc2CN(C)CC(=O)N 270004a_100000739694_100000040139 [0,2,0,0,0,0|2,0,0]=4 2082 B18R2.59524 NC(=O)CC(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_100000187820 [0,2,0,0,0,0|1,0,1]=4 2083 B18R2.59524 NC(=O)CC(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_100000187820 [0,2,0,0,0,0|1,0,1]=4 2084 B18R2.59524 O=C([O-])CC(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_100020667443 [0,2,0,0,0,0|0,0,2]=4 2085 B18R2.59524 O=C([O-])CC(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_100020667443 [0,2,0,0,0,0|0,0,2]=4 2086 B18R2.61976 Cc1[nH]c2ccccc2c1CC(=O)CC(=O)N 1458a_100000737320_100000187820 [0,2,0,0,0,0|1,0,1]=4 2087 B18R2.61976 Cc1[nH]c2ccccc2c1CC(=O)CC(=O)[O-] 1458a_100000737320_100020667443 [0,2,0,0,0,0|0,0,2]=4 2088 B18R2.345438 CN(CC(=O)O)Cc1csc2c1cc(cc2)Cl 269956a_100000746989_100009814428 [0,2,0,0,0,0|2,0,0]=4 2089 B18R2.345438 CN(CC(=O)O)Cc1csc2c1cc(cc2)F 269956a_100000746989_100010109839 [0,2,0,0,0,0|2,0,0]=4 2090 B18R2.345438 Cc1ccc2[nH]cc(c2c1)CC(=O)CC(=O)N 1458a_100102525273_100000187820 [0,2,0,0,0,0|1,0,1]=4 2091 B18R2.345438 Cc1ccc2[nH]cc(c2c1)CC(=O)CC(=O)[O-] 1458a_100102525273_100020667443 [0,2,0,0,0,0|0,0,2]=4 2092 B18R2.345438 NC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_100000187820 [0,2,0,0,0,0|1,0,1]=4 2093 B18R2.345438 NC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_100000187820 [0,2,0,0,0,0|1,0,1]=4 2094 B18R2.345438 NC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100000187820 [0,2,0,0,0,0|1,0,1]=4 2095 B18R2.345438 NC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000187820 [0,2,0,0,0,0|1,0,1]=4 2096 B18R2.345438 O=C([O-])CC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_100020667443 [0,2,0,0,0,0|0,0,2]=4 2097 B18R2.345438 O=C([O-])CC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_100020667443 [0,2,0,0,0,0|0,0,2]=4 2098 B18R2.345438 O=C([O-])CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100020667443 [0,2,0,0,0,0|0,0,2]=4 2099 B18R2.345438 O=C([O-])CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100020667443 [0,2,0,0,0,0|0,0,2]=4 2100 B18R2.484078 Cc1cccc2c1c(c[nH]2)CC(=O)CC(=O)N 1458a_100102558282_100000187820 [0,2,0,0,0,0|1,0,1]=4 2101 B18R2.484078 Cc1cccc2c1c(c[nH]2)CC(=O)CC(=O)[O-] 1458a_100102558282_100020667443 [0,2,0,0,0,0|0,0,2]=4 2102 B18R2.484078 NC(=O)CC(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_100000187820 [0,2,0,0,0,0|1,0,1]=4 2103 B18R2.484078 NC(=O)CC(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_100000187820 [0,2,0,0,0,0|1,0,1]=4 2104 B18R2.484078 NC(=O)CC(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_100000187820 [0,2,0,0,0,0|1,0,1]=4 2105 B18R2.484078 O=C([O-])CC(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_100020667443 [0,2,0,0,0,0|0,0,2]=4 2106 B18R2.484078 O=C([O-])CC(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_100020667443 [0,2,0,0,0,0|0,0,2]=4 2107 B18R2.484078 O=C([O-])CC(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_100020667443 [0,2,0,0,0,0|0,0,2]=4 2108 B18R2.978778 Cn1cc(c2c1cccc2)CC(=O)CC(=O)N 1458a_100011218532_100000187820 [0,2,0,0,0,0|1,0,1]=4 2109 B18R2.978778 Cn1cc(c2c1cccc2)CC(=O)CC(=O)[O-] 1458a_100011218532_100020667443 [0,2,0,0,0,0|0,0,2]=4 2110 B18R2.3109 CC(=O)CCSc1c[nH]c2c1ccc(c2)C#N 62a_100000053229_200014310816 [0,2,0,0,0,0|2,0,0]=4 2111 B18R2.3109 CC(=O)CCSc1c[nH]c2c1ccc(c2)C=O 62a_100000053229_200010296436 [0,2,0,0,0,0|2,0,0]=4 2112 B18R2.3109 COc1ccc2c(c[nH]c2c1)CCNC(=O)C 240690a_100015187051_100015343762 [0,2,0,0,0,0|2,0,0]=4 2113 B18R2.3109 COc1ccc2c(c[nH]c2c1)CCNC(=O)C 527a_100015187051_100103153847 [0,2,0,0,0,0|2,0,0]=4 2114 B18R2.3109 N#Cc1ccc2c(c[nH]c2c1)SCCC(=O)N 62a_100000744528_200014310816 [0,2,0,0,0,0|2,0,0]=4 2115 B18R2.3109 NC(=O)CCSc1c[nH]c2c1ccc(c2)C=O 62a_100000744528_200010296436 [0,2,0,0,0,0|2,0,0]=4 2116 B18R2.761 C=Cc1[nH]c2ccccc2c1CCNC(=O)C 271570a_100011290941_200010188624 [0,2,0,0,0,0|2,0,0]=4 2117 B18R2.761 CC(=O)NCCc1c([nH]c2c1cccc2)S[13CH3] 62a_200025704644_200010188624 [0,2,0,0,0,0|2,0,0]=4 2118 B18R2.761 CSc1[nH]c2ccccc2c1CCNC(=O)C 62a_200000210301_200010188624 [0,2,0,0,0,0|2,0,0]=4 2119 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)C)C 11a_100000076026_100015343762 [0,2,0,0,0,0|2,0,0]=4 2120 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)C)C 240690a_100000076026_100015343762 [0,2,0,0,0,0|2,0,0]=4 2121 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)C)C 527a_100000076026_100103153847 [0,2,0,0,0,0|2,0,0]=4 2122 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)F)C 11a_100015200695_100015343762 [0,2,0,0,0,0|2,0,0]=4 2123 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)F)C 240690a_100015200695_100015343762 [0,2,0,0,0,0|2,0,0]=4 2124 B18R2.274219 CC(=O)NCCc1c([nH]c2c1cc(cc2)F)C 527a_100015200695_100103153847 [0,2,0,0,0,0|2,0,0]=4 2125 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000038029_200025704644 [0,2,0,0,0,0|2,0,0]=4 2126 B18R2.120971 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[13CH3] 7a_100000038029_200025704644 [0,2,0,0,0,0|2,0,0]=4 2127 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 240690a_100000755253_100015343762 [0,2,0,0,0,0|2,0,0]=4 2128 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 34a_100000038029_200000210301 [0,2,0,0,0,0|2,0,0]=4 2129 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 527a_100000755253_100103153847 [0,2,0,0,0,0|2,0,0]=4 2130 B18R2.120971 COc1ccc2[nH]cc(c2c1)CCNC(=O)C 7a_100000038029_200000210301 [0,2,0,0,0,0|2,0,0]=4 2131 B18R2.105503 CC(=O)CCSc1c[nH]c2c1c(ccc2)C#N 62a_100000053229_100012350721 [0,2,0,0,0,0|2,0,0]=4 2132 B18R2.105503 N#Cc1cccc2c1c(c[nH]2)SCCC(=O)N 62a_100000744528_100012350721 [0,2,0,0,0,0|2,0,0]=4 2133 B16R2.2245 CNc1ccccc1C2=CC(=O)CCC2 271570a_100000723966_100020606079 [0,0,1,1,0,0|1,0,1]=4 2134 B16R2.2245 NNc1ccccc1C2=CC(=O)CCC2 271570a_100000723966_100000241748 [0,0,1,1,0,0|2,0,0]=4 2135 B16R2.492 O=C(O)CNCc1cn2ccccc2n1 269956a_100016091260_100000689847 [0,0,1,1,0,0|2,0,0]=4 2136 B16R2.27401 CC(=O)CCSc1cccc2c1[nH]cc2 62a_100000053229_100009813418 [0,0,1,1,0,0|2,0,0]=4 2137 B16R2.27401 NC(=O)CCSc1cccc2c1[nH]cc2 62a_100000744528_100009813418 [0,0,1,1,0,0|2,0,0]=4 2138 B16R2.27401 O=C(O)CNCc1cccc2c1[nH]nc2 269956a_100016091260_100000099550 [0,0,1,1,0,0|2,0,0]=4 2139 B16R2.27401 O=C(O)CNCc1cccc2c1scc2 269956a_100016091260_100009816938 [0,0,1,1,0,0|2,0,0]=4 2140 B18R3.50 O=C1C=C(CCC1)c2c[nH]c3c2cccn3 271570a_100000723966_100011934613 [0,0,0,1,0,1|2,0,0]=4 2141 B18R3.50 O=C1C=C(CCC1)c2c[nH]c3c2ccnc3 271570a_100000723966_100010232032 [0,0,0,1,0,1|2,0,0]=4 2142 B18R3.50 O=C1C=C(CCC1)c2c[nH]c3c2cncc3 271570a_100000723966_100011934843 [0,0,0,1,0,1|2,0,0]=4 2143 B18R3.50 O=C1C=C(CCC1)c2c[nH]c3c2nccc3 271570a_100000723966_100009817151 [0,0,0,1,0,1|2,0,0]=4 2144 B18R3.50 O=C1C=C(CCC1)c2coc3c2cccc3 271570a_100000723966_100009812202 [0,0,0,1,0,1|2,0,0]=4 2145 B18R3.50 O=C1C=C(CCC1)c2csc3c2cccc3 271570a_100000723966_100009813928 [0,0,0,1,0,1|2,0,0]=4 2146 B18R3.50 O=C1C=C(CCC1)c2n[nH]c3c2cccc3 271570a_100000723966_100000050141 [0,0,0,1,0,1|2,0,0]=4 2147 B18R3.2886 O=C1OCC(O1)Oc2csc3c2cccc3 34a_100000077758_100000032252 [0,0,0,1,0,1|2,0,0]=4 2148 B18R3.4298 O=C1CC(C1)COc2csc3c2cccc3 7a_100000077758_100009874392 [0,0,0,1,0,1|2,0,0]=4 2149 B18R3.4298 O=C1CC(C1)CSc2c[nH]c3c2cccn3 62a_100009874392_100011934613 [0,0,0,1,0,1|2,0,0]=4 2150 B18R3.4298 O=C1CC(C1)CSc2c[nH]c3c2ccnc3 62a_100009874392_100010232032 [0,0,0,1,0,1|2,0,0]=4 2151 B18R3.4298 O=C1CC(C1)CSc2c[nH]c3c2cncc3 62a_100009874392_100000753697 [0,0,0,1,0,1|2,0,0]=4 2152 B18R3.4298 O=C1CC(C1)CSc2c[nH]c3c2nccc3 62a_100009874392_100009817151 [0,0,0,1,0,1|2,0,0]=4 2153 B18R3.4298 O=C1CC(C1)CSc2coc3c2cccc3 62a_100009874392_100009812202 [0,0,0,1,0,1|2,0,0]=4 2154 B18R3.4298 O=C1CC(C1)CSc2csc3c2cccc3 62a_100009874392_100009813928 [0,0,0,1,0,1|2,0,0]=4 2155 B18R3.4298 O=C1CC(C1)CSc2n[nH]c3c2cccc3 62a_100009874392_100000050141 [0,0,0,1,0,1|2,0,0]=4 2156 B18R3.4298 O=C1CC(C1)SCc2csc3c2cccc3 62a_100009894365_200000742921 [0,0,0,1,0,1|2,0,0]=4 2157 B18R3.4298 OC1CN(C1)CCc2c[nH]c3c2cccc3 269982a_100000749847_100011218569 [0,0,0,1,0,1|1,0,1]=4 2158 B18R3.14454 c1ccc2c(c[nH]c2c1)CCNCC3CO3 2230a_100000211132_100011216344 [0,0,0,1,0,1|1,0,1]=4 2159 B18R3.14454 c1ccc2c(c[nH]c2c1)CCOCC3CO3 34a_100000752351_102125554688 [0,0,0,1,0,1|1,0,1]=4 2160 B18R3.14454 c1ccc2c(c[nH]c2c1)CCOC[C@@H]3CO3 34a_100000757423_100011218569 [0,0,0,1,0,1|1,0,1]=4 2161 B18R3.14454 c1ccc2c(c[nH]c2c1)CCSCC3CO3 62a_102125554688_100011218569 [0,0,0,1,0,1|1,0,1]=4 2162 B18R3.14454 c1ccc2c(c[nH]c2c1)CCSC[C@@H]3CO3 62a_100000745022_100011218569 [0,0,0,1,0,1|1,0,1]=4 2163 B18R3.117422 CC(=O)C1CCCc2c1[nH]c3c2cccc3 1458a_200000068633_200000210301 [0,0,0,1,0,1|1,0,0]=3 2164 B18R3.117422 [13CH3]C(=O)C1CCCc2c1[nH]c3c2cccc3 1458a_200000068633_200025704644 [0,0,0,1,0,1|1,0,0]=3 2165 B18R3.116932 CC(=O)N1CCc2c([nH]c3c2cccc3)C1 11a_100000694026_100015343762 [0,1,0,1,0,0|2,0,0]=4 2166 B18R3.116932 CC(=O)N1CCc2c([nH]c3c2cccc3)C1 240690a_100000694026_100015343762 [0,1,0,1,0,0|2,0,0]=4 2167 B18R3.116932 CC(=O)N1CCc2c([nH]c3c2cccc3)C1 527a_100000694026_100103153847 [0,1,0,1,0,0|2,0,0]=4 2168 B18R3.118559 CC(=O)NC1Cc2[nH]c3ccccc3c2C1 1626a_100009852730_100015343762 [0,1,0,1,0,0|2,0,0]=4 2169 B18R3.118559 CC(=O)NC1Cc2[nH]c3ccccc3c2C1 240690a_100009852730_100015343762 [0,1,0,1,0,0|2,0,0]=4 2170 B18R3.118559 CC(=O)NC1Cc2[nH]c3ccccc3c2C1 527a_100009852730_100103153847 [0,1,0,1,0,0|2,0,0]=4 2171 B14R1.422 CC(=O)CCCCNc1ccccc1 34a_100000106764_100009817362 [0,0,1,0,1,0|1,0,1]=4 2172 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [0,0,1,0,1,0|2,0,0]=4 2173 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100000711301_100016265936 [0,0,1,0,1,0|2,0,0]=4 2174 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000747473 [0,0,1,0,1,0|2,0,0]=4 2175 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000187820 [0,0,1,0,1,0|2,0,0]=4 2176 B14R1.422 NC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000187820 [0,0,1,0,1,0|2,0,0]=4 2177 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100000747473_100016265936 [0,0,1,0,1,0|2,0,0]=4 2178 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747473 [0,0,1,0,1,0|2,0,0]=4 2179 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [0,0,1,0,1,0|1,0,0]=3 2180 B14R1.422 O=C([O-])CNC/C=C/c1ccccc1 34a_100020603302_100020667443 [0,0,1,0,1,0|1,0,1]=4 2181 B14R1.422 O=C([O-])COC/C=C/c1ccccc1 34a_100000210256_100020667443 [0,0,1,0,1,0|1,0,1]=4 2182 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100016265936_100020667443 [0,0,1,0,1,0|1,0,1]=4 2183 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100020667443_100016265936 [0,0,1,0,1,0|1,0,1]=4 2184 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [0,0,0,0,2,0|1,0,0]=3 2185 B14R2.2 CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200000210301 [0,0,0,0,2,0|2,0,0]=4 2186 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,0,0,0,2,0|2,0,0]=4 2187 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000070787_200000742921 [0,0,0,0,2,0|2,0,0]=4 2188 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000741031_200000210301 [0,0,0,0,2,0|2,0,0]=4 2189 B14R2.2 CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200000210301 [0,0,0,0,2,0|2,0,0]=4 2190 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [0,0,0,0,2,0|1,0,0]=3 2191 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200025704644 [0,0,0,0,2,0|2,0,0]=4 2192 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,0,0,0,2,0|2,0,0]=4 2193 B14R2.2 [13CH3]C(=O)Cc1csc2c1cccc2 1458a_100000741031_200025704644 [0,0,0,0,2,0|2,0,0]=4 2194 B14R2.2 [13CH3]C(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200025704644 [0,0,0,0,2,0|2,0,0]=4 2195 B16R1.10817 O=C(O)CNCCC(=O)c1ccccc1F 269956a_100016091260_100000086012 [0,0,1,0,0,1|2,0,0]=4 2196 B16R1.10817 O=C(O)CNCCC(=O)c1ccccc1O 269956a_100016091260_100009873196 [0,0,1,0,0,1|2,0,0]=4 2197 B16R2.2441 O=CCNCc1ccc2ccccc2c1 2230a_100000739491_200015260668 [1,0,0,0,0,1|2,0,0]=4 2198 B16R2.2441 O=CCNCc1ccc2ccccc2c1 34a_100000739491_200009817547 [1,0,0,0,0,1|2,0,0]=4 2199 B16R2.2441 O=CCNCc1cnc2ccccc2c1 34a_100000742225_200009817547 [1,0,0,0,0,1|1,0,1]=4 2200 B16R2.2441 O=CCOCc1ccc2ccccc2c1 34a_100011215330_200009817547 [1,0,0,0,0,1|2,0,0]=4 2201 B16R2.2441 O=CCOCc1ccc2ccccc2c1 7a_100011215330_200015260668 [1,0,0,0,0,1|2,0,0]=4 2202 B16R2.2441 O=CCOCc1cnc2ccccc2c1 34a_100011258773_200009817547 [1,0,0,0,0,1|1,0,1]=4 2203 B16R2.2441 O=CCSCc1ccc2ccccc2c1 62a_100011216711_200015260668 [1,0,0,0,0,1|2,0,0]=4 2204 B16R2.2441 O=CCSCc1ccc2ccccc2c1 62a_200015260668_100011216711 [1,0,0,0,0,1|2,0,0]=4 2205 B16R2.2441 O=CCSCc1ccc2ccccc2n1 62a_100000737579_200015260668 [1,0,0,0,0,1|2,0,0]=4 2206 B16R2.2441 O=CCSCc1ccc2ccccc2n1 62a_200015260668_100000737579 [1,0,0,0,0,1|2,0,0]=4 2207 B16R2.2441 O=CCSCc1cnc2ccccc2n1 62a_200000751123_200015260668 [1,0,0,0,0,1|1,0,1]=4 2208 B16R2.2441 O=CCSCc1cnc2ccccc2n1 62a_200015260668_200000751123 [1,0,0,0,0,1|1,0,1]=4 2209 B16R2.50359 O=CCNCc1cccc2c1cccc2 34a_100000753325_200009817547 [1,0,0,0,0,1|2,0,0]=4 2210 B16R2.50359 O=CCOCc1cccc2c1cccc2 34a_100011216843_200009817547 [1,0,0,0,0,1|2,0,0]=4 2211 B16R2.50359 O=CCOCc1cccc2c1cccc2 7a_100011216843_200015260668 [1,0,0,0,0,1|2,0,0]=4 2212 B16R2.50359 O=CCSCc1cccc2c1cccc2 62a_100011261445_200015260668 [1,0,0,0,0,1|2,0,0]=4 2213 B16R2.50359 O=CCSCc1cccc2c1cccc2 62a_200015260668_100000188474 [1,0,0,0,0,1|2,0,0]=4 2214 B16R2.50359 O=CCSCc1ccnc2c1cccc2 62a_100015192512_200015260668 [1,0,0,0,0,1|1,0,1]=4 2215 B16R2.50359 O=CCSCc1ccnc2c1cccc2 62a_200015260668_100015192512 [1,0,0,0,0,1|1,0,1]=4 2216 B16R2.50359 O=CCSCc1nccc2c1cccc2 62a_100000033776_200015260668 [1,0,0,0,0,1|2,0,0]=4 2217 B16R2.50359 O=CCSCc1nccc2c1cccc2 62a_200015260668_100000033776 [1,0,0,0,0,1|2,0,0]=4 2218 B18R2.176 C=C(Br)CCOCCc1c[nH]c2c1cccc2 34a_100009813270_100011218569 [0,0,0,0,0,2|2,0,0]=4 2219 B18R2.176 C=C(C)CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000730704 [0,0,0,0,0,2|2,0,0]=4 2220 B18R2.176 C=C(C)CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000730704 [0,0,0,0,0,2|2,0,0]=4 2221 B18R2.176 C=C(C)CCOCCc1c[nH]c2c1cccc2 34a_100000764851_100011218569 [0,0,0,0,0,2|2,0,0]=4 2222 B18R2.176 C=C(C)CCSCCc1c[nH]c2c1cccc2 62a_100000730704_100011218569 [0,0,0,0,0,2|2,0,0]=4 2223 B18R2.176 C=C(C)COCCCc1c[nH]c2c1cccc2 34a_100102524900_100000748629 [0,0,0,0,0,2|2,0,0]=4 2224 B18R2.176 C=C(F)COCCCc1c[nH]c2c1cccc2 34a_100102524900_100009893438 [0,0,0,0,0,2|2,0,0]=4 2225 B18R2.176 CC(=CCNCCc1c[nH]c2c1cccc2)C 2230a_100000211132_100000761012 [0,0,0,0,0,2|2,0,0]=4 2226 B18R2.176 CC(=CCNCCc1c[nH]c2c1cccc2)C 34a_100000718196_100011218569 [0,0,0,0,0,2|2,0,0]=4 2227 B18R2.176 CC(=CCOCCc1c[nH]c2c1cccc2)C 34a_100000752351_100000761012 [0,0,0,0,0,2|2,0,0]=4 2228 B18R2.176 CC(=CCOCCc1c[nH]c2c1cccc2)C 34a_100000753907_100011218569 [0,0,0,0,0,2|2,0,0]=4 2229 B18R2.176 CC(=CCSCCc1c[nH]c2c1cccc2)C 62a_100000761012_100011218569 [0,0,0,0,0,2|2,0,0]=4 2230 B18R2.176 CC(=O)CCCCOc1csc2c1cccc2 34a_100000077758_100009817362 [0,0,0,0,0,2|2,0,0]=4 2231 B18R2.176 CC(=O)CCCCOc1csc2c1cccc2 7a_100000077758_100000735457 [0,0,0,0,0,2|2,0,0]=4 2232 B18R2.176 CC(=O)CCCCSc1c[nH]c2c1cccn2 62a_100000735457_100011934613 [0,0,0,0,0,2|2,0,0]=4 2233 B18R2.176 CC(=O)CCCCSc1c[nH]c2c1ccnc2 62a_100000735457_100010232032 [0,0,0,0,0,2|2,0,0]=4 2234 B18R2.176 CC(=O)CCCCSc1c[nH]c2c1cncc2 62a_100000735457_100000753697 [0,0,0,0,0,2|2,0,0]=4 2235 B18R2.176 CC(=O)CCCCSc1c[nH]c2c1nccc2 62a_100000735457_100009817151 [0,0,0,0,0,2|2,0,0]=4 2236 B18R2.176 CC(=O)CCCCSc1coc2c1cccc2 62a_100000735457_100009812202 [0,0,0,0,0,2|2,0,0]=4 2237 B18R2.176 CC(=O)CCCCSc1csc2c1cccc2 62a_100000735457_100009813928 [0,0,0,0,0,2|2,0,0]=4 2238 B18R2.176 CC(=O)CCCCSc1n[nH]c2c1cccc2 62a_100000735457_100000050141 [0,0,0,0,0,2|2,0,0]=4 2239 B18R2.176 CC(=O)CCCNCc1csc2c1cccc2 34a_100000744611_100000685027 [0,0,0,0,0,2|2,0,0]=4 2240 B18R2.176 CC(=O)CCCOCc1csc2c1cccc2 34a_100000759063_200000742921 [0,0,0,0,0,2|2,0,0]=4 2241 B18R2.176 CC(=O)CCCOCc1csc2c1cccc2 34a_100011219454_100000685027 [0,0,0,0,0,2|2,0,0]=4 2242 B18R2.176 CC(=O)CCCSCc1csc2c1cccc2 62a_100011215641_200000742921 [0,0,0,0,0,2|2,0,0]=4 2243 B18R2.176 CC(=O)CCCSCc1csc2c1cccc2 62a_200000742921_100011215641 [0,0,0,0,0,2|2,0,0]=4 2244 B18R2.176 CC(=O)CCOCCc1c[nH]c2c1cccc2 34a_100000759926_100011218569 [0,0,0,0,0,2|1,0,0]=3 2245 B18R2.176 CC(=O)CCOCCc1c[nH]c2c1cccc2 7a_100000759926_100011218569 [0,0,0,0,0,2|1,0,0]=3 2246 B18R2.176 CC(=O)CCOCCc1c[nH]c2c1cccn2 7a_100000759926_100009895007 [0,0,0,0,0,2|2,0,0]=4 2247 B18R2.176 CC(=O)CCSCCc1c[nH]c2c1cccc2 62a_100000053229_100011218569 [0,0,0,0,0,2|1,0,0]=3 2248 B18R2.176 CC(=O)CCSCCc1c[nH]c2c1cccn2 62a_100000053229_100009895007 [0,0,0,0,0,2|2,0,0]=4 2249 B18R2.176 CC(=O)NCCNCc1coc2c1cccc2 207a_100000209853_100000688544 [0,0,0,0,0,2|2,0,0]=4 2250 B18R2.176 CC(=O)NCCNCc1csc2c1cccc2 207a_100000209853_100000239721 [0,0,0,0,0,2|2,0,0]=4 2251 B18R2.176 CC(=O)NCCNCc1csc2c1cccc2 2230a_100000209853_200000742921 [0,0,0,0,0,2|2,0,0]=4 2252 B18R2.176 CC(=O)NCCNCc1n[nH]c2c1cccc2 207a_100000209853_100000059708 [0,0,0,0,0,2|2,0,0]=4 2253 B18R2.176 CC(=O)NCCOCc1csc2c1cccc2 34a_100000158858_200000742921 [0,0,0,0,0,2|2,0,0]=4 2254 B18R2.176 CC(=O)NCCSCc1csc2c1cccc2 62a_100000189650_200000742921 [0,0,0,0,0,2|2,0,0]=4 2255 B18R2.176 CC(=O)NCCSCc1csc2c1cccc2 62a_200000742921_100000189650 [0,0,0,0,0,2|2,0,0]=4 2256 B18R2.176 CC(=O)OCCCOc1csc2c1cccc2 34a_100000077758_100000042594 [0,0,0,0,0,2|2,0,0]=4 2257 B18R2.176 CC(=O)OCCCOc1csc2c1cccc2 7a_100000077758_100000042594 [0,0,0,0,0,2|2,0,0]=4 2258 B18R2.176 CC(=O)OCCCSc1c[nH]c2c1cccn2 62a_100000042594_100011934613 [0,0,0,0,0,2|2,0,0]=4 2259 B18R2.176 CC(=O)OCCCSc1c[nH]c2c1ccnc2 62a_100000042594_100010232032 [0,0,0,0,0,2|2,0,0]=4 2260 B18R2.176 CC(=O)OCCCSc1c[nH]c2c1cncc2 62a_100000042594_100000753697 [0,0,0,0,0,2|2,0,0]=4 2261 B18R2.176 CC(=O)OCCCSc1c[nH]c2c1nccc2 62a_100000042594_100009817151 [0,0,0,0,0,2|2,0,0]=4 2262 B18R2.176 CC(=O)OCCCSc1coc2c1cccc2 62a_100000042594_100009812202 [0,0,0,0,0,2|2,0,0]=4 2263 B18R2.176 CC(=O)OCCCSc1csc2c1cccc2 62a_100000042594_100009813928 [0,0,0,0,0,2|2,0,0]=4 2264 B18R2.176 CC(=O)OCCCSc1n[nH]c2c1cccc2 62a_100000042594_100000050141 [0,0,0,0,0,2|2,0,0]=4 2265 B18R2.176 CC(=O)OCCNCc1csc2c1cccc2 34a_100000744611_100009814007 [0,0,0,0,0,2|2,0,0]=4 2266 B18R2.176 CC(=O)OCCOCc1csc2c1cccc2 34a_100011219454_100009814007 [0,0,0,0,0,2|2,0,0]=4 2267 B18R2.176 CC(=O)OCCSCc1csc2c1cccc2 62a_100009814007_200000742921 [0,0,0,0,0,2|2,0,0]=4 2268 B18R2.176 CC(=O)OCCSCc1csc2c1cccc2 62a_200000742921_100009814007 [0,0,0,0,0,2|2,0,0]=4 2269 B18R2.176 CC(=O)OCNCCc1coc2c1cccc2 34a_100011934666_100009813279 [0,0,0,0,0,2|2,0,0]=4 2270 B18R2.176 CC(=O)OCOCCc1c[nH]c2c1cccc2 34a_100000752351_100009813279 [0,0,0,0,0,2|1,0,0]=3 2271 B18R2.176 CC(=O)OCSCCc1c[nH]c2c1cccc2 62a_100000076356_100011218569 [0,0,0,0,0,2|1,0,0]=3 2272 B18R2.176 CC(=O)OCSCCc1c[nH]c2c1cccn2 62a_100000076356_100009895007 [0,0,0,0,0,2|2,0,0]=4 2273 B18R2.176 CC(=O)SCCCOc1csc2c1cccc2 34a_100000077758_100000038929 [0,0,0,0,0,2|2,0,0]=4 2274 B18R2.176 CC(=O)SCCCOc1csc2c1cccc2 7a_100000077758_100000038929 [0,0,0,0,0,2|2,0,0]=4 2275 B18R2.176 CC(=O)SCCCSc1c[nH]c2c1cccn2 62a_100000038929_100011934613 [0,0,0,0,0,2|2,0,0]=4 2276 B18R2.176 CC(=O)SCCCSc1c[nH]c2c1ccnc2 62a_100000038929_100010232032 [0,0,0,0,0,2|2,0,0]=4 2277 B18R2.176 CC(=O)SCCCSc1c[nH]c2c1cncc2 62a_100000038929_100000753697 [0,0,0,0,0,2|2,0,0]=4 2278 B18R2.176 CC(=O)SCCCSc1c[nH]c2c1nccc2 62a_100000038929_100009817151 [0,0,0,0,0,2|2,0,0]=4 2279 B18R2.176 CC(=O)SCCCSc1coc2c1cccc2 62a_100000038929_100009812202 [0,0,0,0,0,2|2,0,0]=4 2280 B18R2.176 CC(=O)SCCCSc1csc2c1cccc2 62a_100000038929_100009813928 [0,0,0,0,0,2|2,0,0]=4 2281 B18R2.176 CC(=O)SCCCSc1n[nH]c2c1cccc2 62a_100000038929_100000050141 [0,0,0,0,0,2|2,0,0]=4 2282 B18R2.176 CC(O)CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100012276601 [0,0,0,0,0,2|1,0,1]=4 2283 B18R2.176 CC(O)CCNCCc1c[nH]c2c1cccc2 2230a_200000755665_100011218569 [0,0,0,0,0,2|1,0,1]=4 2284 B18R2.176 CC(O)CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100012276601 [0,0,0,0,0,2|1,0,1]=4 2285 B18R2.176 CC(O)CCSCCc1c[nH]c2c1cccc2 62a_100012276601_100011218569 [0,0,0,0,0,2|1,0,1]=4 2286 B18R2.176 CC(O)COCCCc1c[nH]c2c1cccc2 34a_100102524900_100011218427 [0,0,0,0,0,2|1,0,1]=4 2287 B18R2.176 C[C@@H](O)COCCCc1c[nH]c2c1cccc2 34a_100102524900_100009817552 [0,0,0,0,0,2|1,0,1]=4 2288 B18R2.176 NC(=O)CCCNCc1csc2c1cccc2 34a_100000739312_200000742921 [0,0,0,0,0,2|2,0,0]=4 2289 B18R2.176 NC(=O)CCCNCc1csc2c1cccc2 34a_100000744611_100102525003 [0,0,0,0,0,2|2,0,0]=4 2290 B18R2.176 NC(=O)CCCOCc1csc2c1cccc2 34a_100011219454_100102525003 [0,0,0,0,0,2|2,0,0]=4 2291 B18R2.176 NC(=O)CCCSCc1csc2c1cccc2 62a_100102525003_200000742921 [0,0,0,0,0,2|2,0,0]=4 2292 B18R2.176 NC(=O)CCCSCc1csc2c1cccc2 62a_200000742921_100102525003 [0,0,0,0,0,2|2,0,0]=4 2293 B18R2.176 NC(=O)CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000744528 [0,0,0,0,0,2|1,0,0]=3 2294 B18R2.176 NC(=O)CCNCCc1coc2c1cccc2 2230a_100011934666_100000744528 [0,0,0,0,0,2|2,0,0]=4 2295 B18R2.176 NC(=O)CCNCCc1coc2c1cccc2 34a_100011934666_100000731001 [0,0,0,0,0,2|2,0,0]=4 2296 B18R2.176 NC(=O)CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000731001 [0,0,0,0,0,2|1,0,0]=3 2297 B18R2.176 NC(=O)CCOCCc1c[nH]c2c1cccc2 34a_100000757172_100011218569 [0,0,0,0,0,2|1,0,0]=3 2298 B18R2.176 NC(=O)CCOCCc1c[nH]c2c1cccc2 7a_100000757172_100011218569 [0,0,0,0,0,2|1,0,0]=3 2299 B18R2.176 NC(=O)CCOCCc1c[nH]c2c1cccn2 7a_100000757172_100009895007 [0,0,0,0,0,2|2,0,0]=4 2300 B18R2.176 NC(=O)CCSCCc1c[nH]c2c1cccc2 62a_100000744528_100011218569 [0,0,0,0,0,2|1,0,0]=3 2301 B18R2.176 NC(=O)CCSCCc1c[nH]c2c1cccn2 62a_100000744528_100009895007 [0,0,0,0,0,2|2,0,0]=4 2302 B18R2.176 NC(=O)COCCCc1c[nH]c2c1cccc2 34a_100102524900_100000187820 [0,0,0,0,0,2|1,0,0]=3 2303 B18R2.176 NC(=O)COCCOc1csc2c1cccc2 34a_100000077758_100000076697 [0,0,0,0,0,2|2,0,0]=4 2304 B18R2.176 NC(=O)COCCOc1csc2c1cccc2 7a_100000077758_100000076697 [0,0,0,0,0,2|2,0,0]=4 2305 B18R2.176 NC(=O)COCCSc1c[nH]c2c1cccn2 62a_100000076697_100011934613 [0,0,0,0,0,2|2,0,0]=4 2306 B18R2.176 NC(=O)COCCSc1c[nH]c2c1ccnc2 62a_100000076697_100010232032 [0,0,0,0,0,2|2,0,0]=4 2307 B18R2.176 NC(=O)COCCSc1c[nH]c2c1cncc2 62a_100000076697_100000753697 [0,0,0,0,0,2|2,0,0]=4 2308 B18R2.176 NC(=O)COCCSc1c[nH]c2c1nccc2 62a_100000076697_100009817151 [0,0,0,0,0,2|2,0,0]=4 2309 B18R2.176 NC(=O)COCCSc1coc2c1cccc2 62a_100000076697_100009812202 [0,0,0,0,0,2|2,0,0]=4 2310 B18R2.176 NC(=O)COCCSc1csc2c1cccc2 62a_100000076697_100009813928 [0,0,0,0,0,2|2,0,0]=4 2311 B18R2.176 NC(=O)COCCSc1n[nH]c2c1cccc2 62a_100000076697_100000050141 [0,0,0,0,0,2|2,0,0]=4 2312 B18R2.176 NC(=O)NCCNCc1coc2c1cccc2 207a_100020590234_100000688544 [0,0,0,0,0,2|2,0,0]=4 2313 B18R2.176 NC(=O)NCCNCc1csc2c1cccc2 207a_100020590234_100000239721 [0,0,0,0,0,2|2,0,0]=4 2314 B18R2.176 NC(=O)NCCNCc1csc2c1cccc2 34a_100020590234_200000742921 [0,0,0,0,0,2|2,0,0]=4 2315 B18R2.176 NC(=O)NCCNCc1n[nH]c2c1cccc2 207a_100020590234_100000059708 [0,0,0,0,0,2|2,0,0]=4 2316 B18R2.176 NC(=O)NCCOCc1csc2c1cccc2 34a_100000181757_200000742921 [0,0,0,0,0,2|2,0,0]=4 2317 B18R2.176 NC(=O)NCCSCc1csc2c1cccc2 62a_200000034859_200000742921 [0,0,0,0,0,2|2,0,0]=4 2318 B18R2.176 NC(=O)NCCSCc1csc2c1cccc2 62a_200000742921_200000034859 [0,0,0,0,0,2|2,0,0]=4 2319 B18R2.176 NC(=O)OCCNCc1csc2c1cccc2 34a_100000744611_200011214921 [0,0,0,0,0,2|2,0,0]=4 2320 B18R2.176 NC(=O)OCCOCc1csc2c1cccc2 34a_100011219454_200011214921 [0,0,0,0,0,2|2,0,0]=4 2321 B18R2.176 NC(=O)OCCSCc1csc2c1cccc2 62a_200000742921_200011214921 [0,0,0,0,0,2|2,0,0]=4 2322 B18R2.176 NC(=O)OCCSCc1csc2c1cccc2 62a_200011214921_200000742921 [0,0,0,0,0,2|2,0,0]=4 2323 B18R2.176 O=C(O)CONCCc1c[nH]c2c1cccc2 269956a_100000106656_100011218569 [0,0,0,0,0,2|0,0,0]=2 2324 B18R2.176 O=C(O)CONCCc1c[nH]c2c1cccn2 269956a_100000106656_100009895007 [0,0,0,0,0,2|1,0,0]=3 2325 B18R2.176 O=C([O-])COCCCc1c[nH]c2c1cccc2 34a_100102524900_100020667443 [0,0,0,0,0,2|0,0,1]=3 2326 B18R2.176 O=[N+]([O-])COCCCc1c[nH]c2c1cccc2 34a_100102524900_100000761209 [0,0,0,0,0,2|1,0,1]=4 2327 B18R2.9909 CC(=O)CCCNc1ccc2ccccc2c1 34a_100000211940_100000685027 [0,0,0,0,0,2|2,0,0]=4 2328 B18R2.9909 CC(=O)CCCNc1ccc2ccccc2c1 7a_100000211940_100011215641 [0,0,0,0,0,2|2,0,0]=4 2329 B18R2.9909 CC(=O)CCCOc1ccc2ccccc2c1 1458a_100000070787_100000750887 [0,0,0,0,0,2|2,0,0]=4 2330 B18R2.9909 CC(=O)CCCOc1ccc2ccccc2c1 34a_100000185828_100000685027 [0,0,0,0,0,2|2,0,0]=4 2331 B18R2.9909 CC(=O)CCCOc1ccc2ccccc2c1 7a_100000185828_100011215641 [0,0,0,0,0,2|2,0,0]=4 2332 B18R2.9909 CC(=O)CCCOc1cnc2ccccc2c1 34a_100011934006_100000685027 [0,0,0,0,0,2|1,0,1]=4 2333 B18R2.9909 CC(=O)CCCOc1cnc2ccccc2c1 7a_100011934006_100011215641 [0,0,0,0,0,2|1,0,1]=4 2334 B18R2.9909 CC(=O)CCCSc1ccc2ccccc2c1 62a_100011215641_100000233703 [0,0,0,0,0,2|2,0,0]=4 2335 B18R2.9909 CC(=O)CCCSc1ccc2ccccc2n1 62a_100011215641_100011291633 [0,0,0,0,0,2|2,0,0]=4 2336 B18R2.9909 CC(=O)CCCSc1ccc2ccccc2n1 62a_100011291633_100011215641 [0,0,0,0,0,2|2,0,0]=4 2337 B18R2.9909 CC(=O)CCCSc1cnc2ccccc2c1 62a_100011215641_100000737414 [0,0,0,0,0,2|1,0,1]=4 2338 B18R2.9909 CC(=O)CCCSc1cnc2ccccc2n1 62a_100000756483_100011215641 [0,0,0,0,0,2|1,0,1]=4 2339 B18R2.9909 CC(=O)CCCSc1cnc2ccccc2n1 62a_100011215641_100000756483 [0,0,0,0,0,2|1,0,1]=4 2340 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2c1 34a_100000759926_100011216711 [0,0,0,0,0,2|2,0,0]=4 2341 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2c1 7a_100000759926_100011216711 [0,0,0,0,0,2|2,0,0]=4 2342 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2c1 7a_100011215330_100000053229 [0,0,0,0,0,2|2,0,0]=4 2343 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2n1 34a_100000759926_100000737579 [0,0,0,0,0,2|2,0,0]=4 2344 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2n1 7a_100000759926_100000737579 [0,0,0,0,0,2|2,0,0]=4 2345 B18R2.9909 CC(=O)CCOCc1cnc2ccccc2n1 7a_100000759926_200000751123 [0,0,0,0,0,2|1,0,1]=4 2346 B18R2.9909 CC(=O)CCSCc1ccc2ccccc2c1 62a_100000053229_100011216711 [0,0,0,0,0,2|2,0,0]=4 2347 B18R2.9909 CC(=O)CCSCc1ccc2ccccc2c1 62a_100011216711_100000053229 [0,0,0,0,0,2|2,0,0]=4 2348 B18R2.9909 CC(=O)CCSCc1ccc2ccccc2n1 62a_100000053229_100000737579 [0,0,0,0,0,2|2,0,0]=4 2349 B18R2.9909 CC(=O)CCSCc1ccc2ccccc2n1 62a_100000737579_100000053229 [0,0,0,0,0,2|2,0,0]=4 2350 B18R2.9909 CC(=O)CCSCc1cnc2ccccc2n1 62a_100000053229_200000751123 [0,0,0,0,0,2|1,0,1]=4 2351 B18R2.9909 CC(=O)CCSCc1cnc2ccccc2n1 62a_200000751123_100000053229 [0,0,0,0,0,2|1,0,1]=4 2352 B18R2.9909 NC(=O)CCCNc1ccc2ccccc2c1 34a_100000211940_100102525003 [0,0,0,0,0,2|2,0,0]=4 2353 B18R2.9909 NC(=O)CCCNc1ccc2ccccc2c1 7a_100000211940_100102525003 [0,0,0,0,0,2|2,0,0]=4 2354 B18R2.9909 NC(=O)CCCNc1ccc2ccccc2n1 27a_100000739312_100011291633 [0,0,0,0,0,2|2,0,0]=4 2355 B18R2.9909 NC(=O)CCCNc1cnc2ccccc2n1 27a_100000739312_100000756483 [0,0,0,0,0,2|1,0,1]=4 2356 B18R2.9909 NC(=O)CCCOc1ccc2ccccc2c1 34a_100000185828_100102525003 [0,0,0,0,0,2|2,0,0]=4 2357 B18R2.9909 NC(=O)CCCOc1ccc2ccccc2c1 7a_100000185828_100102525003 [0,0,0,0,0,2|2,0,0]=4 2358 B18R2.9909 NC(=O)CCCOc1cnc2ccccc2c1 34a_100011934006_100102525003 [0,0,0,0,0,2|1,0,1]=4 2359 B18R2.9909 NC(=O)CCCOc1cnc2ccccc2c1 7a_100011934006_100102525003 [0,0,0,0,0,2|1,0,1]=4 2360 B18R2.9909 NC(=O)CCCSc1ccc2ccccc2c1 62a_100102525003_100000233703 [0,0,0,0,0,2|2,0,0]=4 2361 B18R2.9909 NC(=O)CCCSc1ccc2ccccc2n1 62a_100011291633_100102525003 [0,0,0,0,0,2|2,0,0]=4 2362 B18R2.9909 NC(=O)CCCSc1ccc2ccccc2n1 62a_100102525003_100011291633 [0,0,0,0,0,2|2,0,0]=4 2363 B18R2.9909 NC(=O)CCCSc1cnc2ccccc2c1 62a_100102525003_100000737414 [0,0,0,0,0,2|1,0,1]=4 2364 B18R2.9909 NC(=O)CCCSc1cnc2ccccc2n1 62a_100000756483_100102525003 [0,0,0,0,0,2|1,0,1]=4 2365 B18R2.9909 NC(=O)CCCSc1cnc2ccccc2n1 62a_100102525003_100000756483 [0,0,0,0,0,2|1,0,1]=4 2366 B18R2.9909 NC(=O)CCNCc1ccc2ccccc2c1 207a_100000740010_100000211584 [0,0,0,0,0,2|2,0,0]=4 2367 B18R2.9909 NC(=O)CCNCc1ccc2ccccc2c1 2230a_100000739491_100000744528 [0,0,0,0,0,2|2,0,0]=4 2368 B18R2.9909 NC(=O)CCNCc1ccc2ccccc2c1 34a_100000739491_100000731001 [0,0,0,0,0,2|2,0,0]=4 2369 B18R2.9909 NC(=O)CCNCc1ccc2ccccc2n1 207a_100000740010_100000759686 [0,0,0,0,0,2|2,0,0]=4 2370 B18R2.9909 NC(=O)CCNCc1cnc2ccccc2c1 207a_100000740010_100000750898 [0,0,0,0,0,2|1,0,1]=4 2371 B18R2.9909 NC(=O)CCNCc1cnc2ccccc2c1 34a_100000742225_100000731001 [0,0,0,0,0,2|1,0,1]=4 2372 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2c1 34a_100000757172_100011216711 [0,0,0,0,0,2|2,0,0]=4 2373 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2c1 34a_100011215330_100000731001 [0,0,0,0,0,2|2,0,0]=4 2374 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2c1 7a_100000757172_100011216711 [0,0,0,0,0,2|2,0,0]=4 2375 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2c1 7a_100011215330_100000744528 [0,0,0,0,0,2|2,0,0]=4 2376 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2n1 34a_100000757172_100000737579 [0,0,0,0,0,2|2,0,0]=4 2377 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2n1 7a_100000757172_100000737579 [0,0,0,0,0,2|2,0,0]=4 2378 B18R2.9909 NC(=O)CCOCc1cnc2ccccc2c1 34a_100011258773_100000731001 [0,0,0,0,0,2|1,0,1]=4 2379 B18R2.9909 NC(=O)CCOCc1cnc2ccccc2n1 7a_100000757172_200000751123 [0,0,0,0,0,2|1,0,1]=4 2380 B18R2.9909 NC(=O)CCSCc1ccc2ccccc2c1 62a_100000744528_100011216711 [0,0,0,0,0,2|2,0,0]=4 2381 B18R2.9909 NC(=O)CCSCc1ccc2ccccc2c1 62a_100011216711_100000744528 [0,0,0,0,0,2|2,0,0]=4 2382 B18R2.9909 NC(=O)CCSCc1ccc2ccccc2n1 62a_100000737579_100000744528 [0,0,0,0,0,2|2,0,0]=4 2383 B18R2.9909 NC(=O)CCSCc1ccc2ccccc2n1 62a_100000744528_100000737579 [0,0,0,0,0,2|2,0,0]=4 2384 B18R2.9909 NC(=O)CCSCc1cnc2ccccc2n1 62a_100000744528_200000751123 [0,0,0,0,0,2|1,0,1]=4 2385 B18R2.9909 NC(=O)CCSCc1cnc2ccccc2n1 62a_200000751123_100000744528 [0,0,0,0,0,2|1,0,1]=4 2386 B18R2.9909 NC(=O)CNCCc1ccc2ccccc2c1 2230a_100000746582_100000747473 [0,0,0,0,0,2|2,0,0]=4 2387 B18R2.9909 NC(=O)CNCCc1ccc2ccccc2c1 34a_100000746582_100000187820 [0,0,0,0,0,2|2,0,0]=4 2388 B18R2.9909 NC(=O)COCCc1ccc2ccccc2c1 34a_100000755654_100000187820 [0,0,0,0,0,2|2,0,0]=4 2389 B18R2.9909 NC(=O)COCCc1ccc2ccccc2c1 7a_100000755654_100000187820 [0,0,0,0,0,2|2,0,0]=4 2390 B18R2.9909 NC(=O)COCCc1ccc2ccccc2n1 34a_100011996444_100000187820 [0,0,0,0,0,2|2,0,0]=4 2391 B18R2.9909 O=C(O)CONCc1ccc2ccccc2c1 269956a_100000106656_100011216711 [0,0,0,0,0,2|2,0,0]=4 2392 B18R2.9909 O=C(O)CONCc1ccc2ccccc2n1 269956a_100000106656_100000737579 [0,0,0,0,0,2|2,0,0]=4 2393 B18R2.9909 O=C([O-])CNCCc1ccc2ccccc2c1 34a_100000746582_100020667443 [0,0,0,0,0,2|1,0,1]=4 2394 B18R2.9909 O=C([O-])COCCc1ccc2ccccc2c1 34a_100000755654_100020667443 [0,0,0,0,0,2|1,0,1]=4 2395 B18R2.9909 O=C([O-])COCCc1ccc2ccccc2n1 34a_100011996444_100020667443 [0,0,0,0,0,2|1,0,1]=4 2396 B18R2.556536 CC(=O)CCCNc1cccc2c1cccc2 34a_100000185869_100000685027 [0,0,0,0,0,2|2,0,0]=4 2397 B18R2.556536 CC(=O)CCCOc1cccc2c1cccc2 34a_100000210388_100000685027 [0,0,0,0,0,2|2,0,0]=4 2398 B18R2.556536 CC(=O)CCCOc1cccc2c1cccc2 7a_100000210388_100011215641 [0,0,0,0,0,2|2,0,0]=4 2399 B18R2.556536 CC(=O)CCCOc1cncc2c1cccc2 34a_100000066178_100000685027 [0,0,0,0,0,2|1,0,1]=4 2400 B18R2.556536 CC(=O)CCCOc1cncc2c1cccc2 7a_100000066178_100011215641 [0,0,0,0,0,2|1,0,1]=4 2401 B18R2.556536 CC(=O)CCCOc1nccc2c1cccc2 34a_102531767632_100000685027 [0,0,0,0,0,2|2,0,0]=4 2402 B18R2.556536 CC(=O)CCCSc1cccc2c1cccc2 62a_100011215641_100000210605 [0,0,0,0,0,2|2,0,0]=4 2403 B18R2.556536 CC(=O)CCCSc1ccnc2c1cccc2 62a_100011215641_100011215880 [0,0,0,0,0,2|1,0,1]=4 2404 B18R2.556536 CC(=O)CCCSc1ccnc2c1cccc2 62a_100011458314_100011215641 [0,0,0,0,0,2|1,0,1]=4 2405 B18R2.556536 CC(=O)CCCSc1cncc2c1cccc2 62a_100000187577_100011215641 [0,0,0,0,0,2|1,0,1]=4 2406 B18R2.556536 CC(=O)CCCSc1cncc2c1cccc2 62a_100011215641_100000187577 [0,0,0,0,0,2|1,0,1]=4 2407 B18R2.556536 CC(=O)CCCSc1cnnc2c1cccc2 62a_100011215641_100000063506 [0,0,0,0,0,2|1,0,1]=4 2408 B18R2.556536 CC(=O)CCCSc1nccc2c1cccc2 62a_100011215641_100011934041 [0,0,0,0,0,2|2,0,0]=4 2409 B18R2.556536 CC(=O)CCCSc1nccc2c1cccc2 62a_100011934041_100011215641 [0,0,0,0,0,2|2,0,0]=4 2410 B18R2.556536 CC(=O)CCCSc1ncnc2c1cccc2 62a_100000753007_100011215641 [0,0,0,0,0,2|1,0,1]=4 2411 B18R2.556536 CC(=O)CCCSc1ncnc2c1cccc2 62a_100011215641_100000217608 [0,0,0,0,0,2|1,0,1]=4 2412 B18R2.556536 CC(=O)CCOCc1cccc2c1cccc2 34a_100000759926_100011261445 [0,0,0,0,0,2|2,0,0]=4 2413 B18R2.556536 CC(=O)CCOCc1cccc2c1cccc2 7a_100000759926_100011261445 [0,0,0,0,0,2|2,0,0]=4 2414 B18R2.556536 CC(=O)CCOCc1cccc2c1cccc2 7a_100011216843_100000053229 [0,0,0,0,0,2|2,0,0]=4 2415 B18R2.556536 CC(=O)CCOCc1ccnc2c1cccc2 34a_100000759926_100015192512 [0,0,0,0,0,2|1,0,1]=4 2416 B18R2.556536 CC(=O)CCOCc1ccnc2c1cccc2 7a_100000759926_100015192512 [0,0,0,0,0,2|1,0,1]=4 2417 B18R2.556536 CC(=O)CCOCc1nccc2c1cccc2 34a_100000759926_100000033776 [0,0,0,0,0,2|2,0,0]=4 2418 B18R2.556536 CC(=O)CCOCc1nccc2c1cccc2 7a_100000759926_100000033776 [0,0,0,0,0,2|2,0,0]=4 2419 B18R2.556536 CC(=O)CCSCc1cccc2c1cccc2 62a_100000053229_100000188474 [0,0,0,0,0,2|2,0,0]=4 2420 B18R2.556536 CC(=O)CCSCc1cccc2c1cccc2 62a_100011261445_100000053229 [0,0,0,0,0,2|2,0,0]=4 2421 B18R2.556536 CC(=O)CCSCc1ccnc2c1cccc2 62a_100000053229_100015192512 [0,0,0,0,0,2|1,0,1]=4 2422 B18R2.556536 CC(=O)CCSCc1ccnc2c1cccc2 62a_100015192512_100000053229 [0,0,0,0,0,2|1,0,1]=4 2423 B18R2.556536 CC(=O)CCSCc1nccc2c1cccc2 62a_100000033776_100000053229 [0,0,0,0,0,2|2,0,0]=4 2424 B18R2.556536 CC(=O)CCSCc1nccc2c1cccc2 62a_100000053229_100000033776 [0,0,0,0,0,2|2,0,0]=4 2425 B18R2.556536 CC(=O)COCCc1cccc2c1cccc2 34a_100000211253_100011290781 [0,0,0,0,0,2|2,0,0]=4 2426 B18R2.556536 NC(=O)CCCNc1cccc2c1cccc2 34a_100000185869_100102525003 [0,0,0,0,0,2|2,0,0]=4 2427 B18R2.556536 NC(=O)CCCNc1ccnc2c1cccc2 27a_100000739312_100011215880 [0,0,0,0,0,2|1,0,1]=4 2428 B18R2.556536 NC(=O)CCCNc1cnnc2c1cccc2 27a_100000739312_100000063506 [0,0,0,0,0,2|1,0,1]=4 2429 B18R2.556536 NC(=O)CCCNc1nccc2c1cccc2 27a_100000739312_100011934041 [0,0,0,0,0,2|2,0,0]=4 2430 B18R2.556536 NC(=O)CCCNc1ncnc2c1cccc2 27a_100000739312_100000217608 [0,0,0,0,0,2|1,0,1]=4 2431 B18R2.556536 NC(=O)CCCOc1cccc2c1cccc2 34a_100000210388_100102525003 [0,0,0,0,0,2|2,0,0]=4 2432 B18R2.556536 NC(=O)CCCOc1cccc2c1cccc2 7a_100000210388_100102525003 [0,0,0,0,0,2|2,0,0]=4 2433 B18R2.556536 NC(=O)CCCOc1cncc2c1cccc2 34a_100000066178_100102525003 [0,0,0,0,0,2|1,0,1]=4 2434 B18R2.556536 NC(=O)CCCOc1cncc2c1cccc2 7a_100000066178_100102525003 [0,0,0,0,0,2|1,0,1]=4 2435 B18R2.556536 NC(=O)CCCOc1nccc2c1cccc2 34a_102531767632_100102525003 [0,0,0,0,0,2|2,0,0]=4 2436 B18R2.556536 NC(=O)CCCSc1cccc2c1cccc2 62a_100102525003_100000210605 [0,0,0,0,0,2|2,0,0]=4 2437 B18R2.556536 NC(=O)CCCSc1ccnc2c1cccc2 62a_100011458314_100102525003 [0,0,0,0,0,2|1,0,1]=4 2438 B18R2.556536 NC(=O)CCCSc1ccnc2c1cccc2 62a_100102525003_100011215880 [0,0,0,0,0,2|1,0,1]=4 2439 B18R2.556536 NC(=O)CCCSc1cncc2c1cccc2 62a_100000187577_100102525003 [0,0,0,0,0,2|1,0,1]=4 2440 B18R2.556536 NC(=O)CCCSc1cncc2c1cccc2 62a_100102525003_100000187577 [0,0,0,0,0,2|1,0,1]=4 2441 B18R2.556536 NC(=O)CCCSc1cnnc2c1cccc2 62a_100102525003_100000063506 [0,0,0,0,0,2|1,0,1]=4 2442 B18R2.556536 NC(=O)CCCSc1nccc2c1cccc2 62a_100011934041_100102525003 [0,0,0,0,0,2|2,0,0]=4 2443 B18R2.556536 NC(=O)CCCSc1nccc2c1cccc2 62a_100102525003_100011934041 [0,0,0,0,0,2|2,0,0]=4 2444 B18R2.556536 NC(=O)CCCSc1ncnc2c1cccc2 62a_100000753007_100102525003 [0,0,0,0,0,2|1,0,1]=4 2445 B18R2.556536 NC(=O)CCCSc1ncnc2c1cccc2 62a_100102525003_100000217608 [0,0,0,0,0,2|1,0,1]=4 2446 B18R2.556536 NC(=O)CCNCc1cccc2c1cccc2 207a_100000740010_100000210074 [0,0,0,0,0,2|2,0,0]=4 2447 B18R2.556536 NC(=O)CCNCc1cccc2c1cccc2 34a_100000753325_100000731001 [0,0,0,0,0,2|2,0,0]=4 2448 B18R2.556536 NC(=O)CCNCc1cncc2c1cccc2 207a_100000740010_100000684730 [0,0,0,0,0,2|1,0,1]=4 2449 B18R2.556536 NC(=O)CCNCc1nccc2c1cccc2 207a_100000740010_100011361464 [0,0,0,0,0,2|2,0,0]=4 2450 B18R2.556536 NC(=O)CCOCc1cccc2c1cccc2 34a_100000757172_100011261445 [0,0,0,0,0,2|2,0,0]=4 2451 B18R2.556536 NC(=O)CCOCc1cccc2c1cccc2 34a_100011216843_100000731001 [0,0,0,0,0,2|2,0,0]=4 2452 B18R2.556536 NC(=O)CCOCc1cccc2c1cccc2 7a_100000757172_100011261445 [0,0,0,0,0,2|2,0,0]=4 2453 B18R2.556536 NC(=O)CCOCc1cccc2c1cccc2 7a_100011216843_100000744528 [0,0,0,0,0,2|2,0,0]=4 2454 B18R2.556536 NC(=O)CCOCc1ccnc2c1cccc2 34a_100000757172_100015192512 [0,0,0,0,0,2|1,0,1]=4 2455 B18R2.556536 NC(=O)CCOCc1ccnc2c1cccc2 7a_100000757172_100015192512 [0,0,0,0,0,2|1,0,1]=4 2456 B18R2.556536 NC(=O)CCOCc1nccc2c1cccc2 34a_100000757172_100000033776 [0,0,0,0,0,2|2,0,0]=4 2457 B18R2.556536 NC(=O)CCOCc1nccc2c1cccc2 7a_100000757172_100000033776 [0,0,0,0,0,2|2,0,0]=4 2458 B18R2.556536 NC(=O)CCSCc1cccc2c1cccc2 62a_100000744528_100000188474 [0,0,0,0,0,2|2,0,0]=4 2459 B18R2.556536 NC(=O)CCSCc1cccc2c1cccc2 62a_100011261445_100000744528 [0,0,0,0,0,2|2,0,0]=4 2460 B18R2.556536 NC(=O)CCSCc1ccnc2c1cccc2 62a_100000744528_100015192512 [0,0,0,0,0,2|1,0,1]=4 2461 B18R2.556536 NC(=O)CCSCc1ccnc2c1cccc2 62a_100015192512_100000744528 [0,0,0,0,0,2|1,0,1]=4 2462 B18R2.556536 NC(=O)CCSCc1nccc2c1cccc2 62a_100000033776_100000744528 [0,0,0,0,0,2|2,0,0]=4 2463 B18R2.556536 NC(=O)CCSCc1nccc2c1cccc2 62a_100000744528_100000033776 [0,0,0,0,0,2|2,0,0]=4 2464 B18R2.556536 NC(=O)CNCCc1cccc2c1cccc2 2230a_100000711301_100011290781 [0,0,0,0,0,2|2,0,0]=4 2465 B18R2.556536 NC(=O)CNCCc1cccc2c1cccc2 2230a_100000751862_100000747473 [0,0,0,0,0,2|2,0,0]=4 2466 B18R2.556536 NC(=O)CNCCc1cccc2c1cccc2 34a_100000751862_100000187820 [0,0,0,0,0,2|2,0,0]=4 2467 B18R2.556536 NC(=O)COCCc1cccc2c1cccc2 34a_100011219628_100000187820 [0,0,0,0,0,2|2,0,0]=4 2468 B18R2.556536 NC(=O)COCCc1cccc2c1cccc2 7a_100011219628_100000187820 [0,0,0,0,0,2|2,0,0]=4 2469 B18R2.556536 NC(=O)CSCCc1cccc2c1cccc2 62a_100000747473_100011290781 [0,0,0,0,0,2|2,0,0]=4 2470 B18R2.556536 NC(=O)CSCCc1cccc2c1cccc2 62a_100011290781_100000747473 [0,0,0,0,0,2|2,0,0]=4 2471 B18R2.556536 O=C(O)CNCCc1cccc2c1cccc2 269956a_100016091260_100011290781 [0,0,0,0,0,2|1,0,0]=3 2472 B18R2.556536 O=C(O)CONCc1cccc2c1cccc2 269956a_100000106656_100000188474 [0,0,0,0,0,2|2,0,0]=4 2473 B18R2.556536 O=C(O)CONCc1ccnc2c1cccc2 269956a_100000106656_100015192512 [0,0,0,0,0,2|1,0,1]=4 2474 B18R2.556536 O=C(O)CONCc1nccc2c1cccc2 269956a_100000106656_100000033776 [0,0,0,0,0,2|2,0,0]=4 2475 B18R2.556536 O=C([O-])CNCCc1cccc2c1cccc2 34a_100000751862_100020667443 [0,0,0,0,0,2|1,0,1]=4 2476 B18R2.556536 O=C([O-])COCCc1cccc2c1cccc2 34a_100011219628_100020667443 [0,0,0,0,0,2|1,0,1]=4 2477 B18R2.556536 O=C([O-])CSCCc1cccc2c1cccc2 62a_100011290781_100020667443 [0,0,0,0,0,2|1,0,1]=4 2478 B18R2.556536 O=C([O-])CSCCc1cccc2c1cccc2 62a_100020667443_100011290781 [0,0,0,0,0,2|1,0,1]=4