0 B16R2.2441 CCCCNc1ncc2ccccc2n1 WXVL_AK00588LP0064 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.2441 CCCCNc1ncc2ccccc2n1 WXVL_AK00588LP0064 [0,0,0,0,0,0|3,0,0]=3 2 B16R2.2441 CSCCNc1ncc2ccccc2n1 WXVL_AK00440LP0064 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.2441 CSCCNc1ncc2ccccc2n1 WXVL_AK00440LP0064 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.2441 OCCCNc1ncc2ccccc2n1 WXVL_AK0073LP0064 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.2441 OCCCNc1ncc2ccccc2n1 WXVL_AK0073LP0064 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.352 CCCNc1ncc2ccccc2n1 WXVL_AK00504LP0064 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.352 CCCNc1ncc2ccccc2n1 WXVL_AK00504LP0064 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.556 CCC(=O)NCc1ccc2ccccc2c1 WXVL_AK1490SB0064 [0,1,0,0,0,0|2,0,1]=4 9 B17R2.556 CCC(=O)NCc1ccc2ccccc2c1 WXVL_AK1490SB0064 [0,1,0,0,0,0|2,0,1]=4 10 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 WXVL_AK00442SB0535 [0,1,0,0,0,0|1,0,1]=3 11 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 WXVL_AK00442SB0535 [0,1,0,0,0,0|1,0,1]=3 12 B17R2.2015 CCCCNc1ncc2ccc(cc2n1)Br WXVL_AK00588LQ2121 [0,1,0,0,0,0|3,0,0]=4 13 B17R2.2015 CCCCNc1ncc2ccc(cc2n1)Br WXVL_AK00588LQ2121 [0,1,0,0,0,0|3,0,0]=4 14 B17R2.2015 CCCCNc1ncc2ccc(cc2n1)F WXVL_AK00588LP0362 [0,1,0,0,0,0|3,0,0]=4 15 B17R2.2015 CCCCNc1ncc2ccc(cc2n1)F WXVL_AK00588LP0362 [0,1,0,0,0,0|3,0,0]=4 16 B17R2.2023 CCCCNc1ncc2cccc(c2n1)Br WXVL_AK00588LQ1447 [0,1,0,0,0,0|3,0,0]=4 17 B17R2.2023 CCCCNc1ncc2cccc(c2n1)Br WXVL_AK00588LQ1447 [0,1,0,0,0,0|3,0,0]=4 18 B17R2.2023 CCCCNc1ncc2cccc(c2n1)O WXVL_AK00588LP3367 [0,1,0,0,0,0|3,0,0]=4 19 B17R2.2023 CCCCNc1ncc2cccc(c2n1)O WXVL_AK00588LP3367 [0,1,0,0,0,0|3,0,0]=4 20 B17R2.2104 CCCNC(=O)c1cc2ccccc2cn1 WXVL_AK00504SE0464 [0,1,0,0,0,0|3,0,0]=4 21 B17R2.2104 CCCNC(=O)c1cc2ccccc2cn1 WXVL_AK00504SE0464 [0,1,0,0,0,0|3,0,0]=4 22 B17R2.2104 CCCNC(=O)c1ccc2ccccc2c1 WXVL_AK00504SE0013 [0,1,0,0,0,0|2,0,0]=3 23 B17R2.2104 CCCNC(=O)c1ccc2ccccc2c1 WXVL_AK00504SE0013 [0,1,0,0,0,0|2,0,0]=3 24 B17R2.2104 CCCNC(=O)c1ccc2ccccc2n1 WXVL_AK00504SE0005 [0,1,0,0,0,0|3,0,0]=4 25 B17R2.2104 CCCNC(=O)c1ccc2ccccc2n1 WXVL_AK00504SE0005 [0,1,0,0,0,0|3,0,0]=4 26 B17R2.2104 CCCNC(=O)c1ccc2cccnc2c1 WXVL_AK00504SE0111 [0,1,0,0,0,0|3,0,0]=4 27 B17R2.2104 CCCNC(=O)c1ccc2cccnc2c1 WXVL_AK00504SE0111 [0,1,0,0,0,0|3,0,0]=4 28 B17R2.2104 CCCNC(=O)c1ccc2ccncc2c1 WXVL_AK00504SE0986 [0,1,0,0,0,0|3,0,0]=4 29 B17R2.2104 CCCNC(=O)c1ccc2ccncc2c1 WXVL_AK00504SE0986 [0,1,0,0,0,0|3,0,0]=4 30 B17R2.2104 CCCNC(=O)c1ccc2cnccc2c1 WXVL_AK00504SE0116 [0,1,0,0,0,0|3,0,0]=4 31 B17R2.2104 CCCNC(=O)c1ccc2cnccc2c1 WXVL_AK00504SE0116 [0,1,0,0,0,0|3,0,0]=4 32 B17R2.2104 CCCNC(=O)c1ccc2ncccc2c1 WXVL_AK00504SE0022 [0,1,0,0,0,0|3,0,0]=4 33 B17R2.2104 CCCNC(=O)c1ccc2ncccc2c1 WXVL_AK00504SE0022 [0,1,0,0,0,0|3,0,0]=4 34 B17R2.2104 CCCNC(=O)c1cnc2ccccc2c1 WXVL_AK00504SE0006 [0,1,0,0,0,0|3,0,0]=4 35 B17R2.2104 CCCNC(=O)c1cnc2ccccc2c1 WXVL_AK00504SE0006 [0,1,0,0,0,0|3,0,0]=4 36 B17R2.2104 O=C(NCCF)c1ccc2ccccc2c1 WXVL_AK00466SE0013 [0,1,0,0,0,0|3,0,0]=4 37 B17R2.2104 O=C(NCCF)c1ccc2ccccc2c1 WXVL_AK00466SE0013 [0,1,0,0,0,0|3,0,0]=4 38 B17R2.2159 CCCC(=O)Nc1cc2ccccc2cn1 WXVL_AF0786SB0073 [0,1,0,0,0,0|2,0,1]=4 39 B17R2.2159 CCCC(=O)Nc1cc2ccccc2cn1 WXVL_AF0786SB0073 [0,1,0,0,0,0|2,0,1]=4 40 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2n1 WXVL_AF0062SB0073 [0,1,0,0,0,0|2,0,1]=4 41 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2n1 WXVL_AF0062SB0073 [0,1,0,0,0,0|2,0,1]=4 42 B17R2.2159 CCCC(=O)Nc1ccc2cccnc2c1 WXVL_AG00053SB0073 [0,1,0,0,0,0|2,0,1]=4 43 B17R2.2159 CCCC(=O)Nc1ccc2cccnc2c1 WXVL_AG00053SB0073 [0,1,0,0,0,0|2,0,1]=4 44 B17R2.2159 CCCC(=O)Nc1ccc2ccncc2c1 WXVL_AG1026SB0073 [0,1,0,0,0,0|2,0,1]=4 45 B17R2.2159 CCCC(=O)Nc1ccc2ccncc2c1 WXVL_AG1026SB0073 [0,1,0,0,0,0|2,0,1]=4 46 B17R2.2159 CCCC(=O)Nc1ccc2cnccc2c1 WXVL_AG0208SB0073 [0,1,0,0,0,0|2,0,1]=4 47 B17R2.2159 CCCC(=O)Nc1ccc2cnccc2c1 WXVL_AG0208SB0073 [0,1,0,0,0,0|2,0,1]=4 48 B17R2.2159 CCCC(=O)Nc1ccc2ncccc2c1 WXVL_AG0010SB0073 [0,1,0,0,0,0|2,0,1]=4 49 B17R2.2159 CCCC(=O)Nc1ccc2ncccc2c1 WXVL_AG0010SB0073 [0,1,0,0,0,0|2,0,1]=4 50 B17R2.2159 CCC[C@H](C)Nc1ncc2ccccc2n1 WXVL_AK00682LP0064 [0,1,0,0,0,0|3,0,0]=4 51 B17R2.2159 CCC[C@H](C)Nc1ncc2ccccc2n1 WXVL_AK00682LP0064 [0,1,0,0,0,0|3,0,0]=4 52 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00476SB0076 [0,1,0,0,0,0|2,0,1]=4 53 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00476SB0076 [0,1,0,0,0,0|2,0,1]=4 54 B17R2.2159 CCNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00476YV0121 [0,1,0,0,0,0|2,0,1]=4 55 B17R2.2159 CCNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00476YV0121 [0,1,0,0,0,0|2,0,1]=4 56 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 WXVL_AK2322SB0150 [0,1,0,0,0,0|2,0,1]=4 57 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 WXVL_AK2322SB0150 [0,1,0,0,0,0|2,0,1]=4 58 B17R2.5669 CC(C)CCNc1ncc2ccccc2n1 WXVL_AK0068LP0064 [0,1,0,0,0,0|3,0,0]=4 59 B17R2.5669 CC(C)CCNc1ncc2ccccc2n1 WXVL_AK0068LP0064 [0,1,0,0,0,0|3,0,0]=4 60 B17R2.5879 CCCCCNc1ncc2ccccc2n1 WXVL_AK0076LP0064 [0,1,0,0,0,0|3,0,0]=4 61 B17R2.5879 CCCCCNc1ncc2ccccc2n1 WXVL_AK0076LP0064 [0,1,0,0,0,0|3,0,0]=4 62 B17R2.5879 CCSCCNc1ncc2ccccc2n1 WXVL_AK00494LP0064 [0,1,0,0,0,0|3,0,0]=4 63 B17R2.5879 CCSCCNc1ncc2ccccc2n1 WXVL_AK00494LP0064 [0,1,0,0,0,0|3,0,0]=4 64 B17R2.5879 COCCCNc1ncc2ccccc2n1 WXVL_AK00637LP0064 [0,1,0,0,0,0|3,0,0]=4 65 B17R2.5879 COCCCNc1ncc2ccccc2n1 WXVL_AK00637LP0064 [0,1,0,0,0,0|3,0,0]=4 66 B17R2.5879 CSCCCNc1ncc2ccccc2n1 WXVL_AK0965LP0064 [0,1,0,0,0,0|3,0,0]=4 67 B17R2.5879 CSCCCNc1ncc2ccccc2n1 WXVL_AK0965LP0064 [0,1,0,0,0,0|3,0,0]=4 68 B17R2.5879 OCCCCNc1ncc2ccccc2n1 WXVL_AK0075LP0064 [0,1,0,0,0,0|3,0,0]=4 69 B17R2.5879 OCCCCNc1ncc2ccccc2n1 WXVL_AK0075LP0064 [0,1,0,0,0,0|3,0,0]=4 70 B17R2.12072 CCCCNc1nc(c2ccccc2n1)C WXVL_AK00588LP0957 [0,1,0,0,0,0|3,0,0]=4 71 B17R2.12072 CCCCNc1nc(c2ccccc2n1)C WXVL_AK00588LP0957 [0,1,0,0,0,0|3,0,0]=4 72 B17R2.73925 CCCCNc1ncc2cc(ccc2n1)Br WXVL_AK00588LQ2208 [0,1,0,0,0,0|3,0,0]=4 73 B17R2.73925 CCCCNc1ncc2cc(ccc2n1)Br WXVL_AK00588LQ2208 [0,1,0,0,0,0|3,0,0]=4 74 B17R2.103529 CCCCNc1ncc2c(cccc2n1)Br WXVL_AK00588LQ2850 [0,1,0,0,0,0|3,0,0]=4 75 B17R2.103529 CCCCNc1ncc2c(cccc2n1)Br WXVL_AK00588LQ2850 [0,1,0,0,0,0|3,0,0]=4 76 B17R2.103529 CCCCNc1ncc2c(cccc2n1)Cl WXVL_AK00588LP1410 [0,1,0,0,0,0|3,0,0]=4 77 B17R2.103529 CCCCNc1ncc2c(cccc2n1)Cl WXVL_AK00588LP1410 [0,1,0,0,0,0|3,0,0]=4 78 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [0,0,1,0,0,0|2,0,0]=3 79 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [0,0,1,0,0,0|2,0,0]=3 80 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [0,0,1,0,0,0|3,0,0]=4 81 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [0,0,1,0,0,0|3,0,0]=4 82 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [0,0,1,0,0,0|3,0,0]=4 83 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [0,0,1,0,0,0|3,0,0]=4 84 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [0,0,1,0,0,0|3,0,0]=4 85 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [0,0,1,0,0,0|3,0,0]=4 86 B17R3.1917 c1ccc2nc(ncc2c1)N3CCCC3 WXVL_AN0008LP0064 [0,0,0,1,0,0|3,0,0]=4 87 B17R3.1917 c1ccc2nc(ncc2c1)N3CCCC3 WXVL_AN0008LP0064 [0,0,0,1,0,0|3,0,0]=4 88 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [1,0,1,0,0,0|2,0,0]=4 89 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [1,0,1,0,0,0|2,0,0]=4 90 B16R1.51 CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00588SB0418 [0,1,1,0,0,0|2,0,0]=4 91 B16R1.51 CCCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00588SB0418 [0,1,1,0,0,0|2,0,0]=4 92 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00588SB1122 [0,1,1,0,0,0|2,0,0]=4 93 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00588SB1122 [0,1,1,0,0,0|2,0,0]=4 94 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00588SB0060 [0,1,1,0,0,0|2,0,0]=4 95 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00588SB0060 [0,1,1,0,0,0|2,0,0]=4 96 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00588SB0119 [0,1,1,0,0,0|2,0,0]=4 97 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00588SB0119 [0,1,1,0,0,0|2,0,0]=4 98 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00588SB1186 [0,1,1,0,0,0|2,0,0]=4 99 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00588SB1186 [0,1,1,0,0,0|2,0,0]=4 100 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00588SB1601 [0,1,1,0,0,0|2,0,0]=4 101 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00588SB1601 [0,1,1,0,0,0|2,0,0]=4 102 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00588SB0417 [0,1,1,0,0,0|2,0,0]=4 103 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00588SB0417 [0,1,1,0,0,0|2,0,0]=4 104 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,1,1,0,0,0|2,0,0]=4 105 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,1,1,0,0,0|2,0,0]=4 106 B16R1.688 CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0076SB0115 [0,1,1,0,0,0|2,0,0]=4 107 B16R1.688 CCCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0076SB0115 [0,1,1,0,0,0|2,0,0]=4 108 B16R1.688 CCSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00494SB0115 [0,1,1,0,0,0|2,0,0]=4 109 B16R1.688 CCSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00494SB0115 [0,1,1,0,0,0|2,0,0]=4 110 B16R1.688 COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00637SB0115 [0,1,1,0,0,0|2,0,0]=4 111 B16R1.688 COCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00637SB0115 [0,1,1,0,0,0|2,0,0]=4 112 B16R1.688 CSCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0965SB0115 [0,1,1,0,0,0|2,0,0]=4 113 B16R1.688 CSCCCNC(=O)/C=C/c1ccccc1 WXVL_AK0965SB0115 [0,1,1,0,0,0|2,0,0]=4 114 B16R1.688 O=C(/C=C/c1ccccc1)NCCCCO WXVL_AK0075SB0115 [0,1,1,0,0,0|2,0,0]=4 115 B16R1.688 O=C(/C=C/c1ccccc1)NCCCCO WXVL_AK0075SB0115 [0,1,1,0,0,0|2,0,0]=4 116 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00682SB0115 [0,1,1,0,0,0|2,0,0]=4 117 B16R1.1570 CCC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00682SB0115 [0,1,1,0,0,0|2,0,0]=4 118 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00588SB3065 [0,1,1,0,0,0|2,0,0]=4 119 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br WXVL_AK00588SB3065 [0,1,1,0,0,0|2,0,0]=4 120 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 WXVL_AK1490SB0150 [1,1,0,0,0,0|1,0,1]=4 121 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 WXVL_AK1490SB0150 [1,1,0,0,0,0|1,0,1]=4 122 B16R2.477 NC(=O)COc1ccc2ccccc2c1 WXVL_AK0084SB0535 [1,1,0,0,0,0|1,0,1]=4 123 B16R2.477 NC(=O)COc1ccc2ccccc2c1 WXVL_AK0084SB0535 [1,1,0,0,0,0|1,0,1]=4 124 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 WXVL_AK00476SE0013 [1,1,0,0,0,0|1,0,1]=4 125 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 WXVL_AK00476SE0013 [1,1,0,0,0,0|1,0,1]=4 126 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00442SB0076 [1,1,0,0,0,0|1,0,1]=4 127 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00442SB0076 [1,1,0,0,0,0|1,0,1]=4 128 B18R2.8028 CC[C@H](C)NC(=O)c1ccc2ccccc2c1 WXVL_AK00678SE0013 [0,2,0,0,0,0|2,0,0]=4 129 B18R2.8028 CC[C@H](C)NC(=O)c1ccc2ccccc2c1 WXVL_AK00678SE0013 [0,2,0,0,0,0|2,0,0]=4 130 B18R2.8085 CCCC(=O)NCc1ccc2ccccc2c1 WXVL_AK1490SB0073 [0,2,0,0,0,0|1,0,1]=4 131 B18R2.8085 CCCC(=O)NCc1ccc2ccccc2c1 WXVL_AK1490SB0073 [0,2,0,0,0,0|1,0,1]=4 132 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 WXVL_AK00476SB0535 [0,2,0,0,0,0|0,0,1]=3 133 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 WXVL_AK00476SB0535 [0,2,0,0,0,0|0,0,1]=3 134 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 WXVL_AN0032SB0535 [0,2,0,0,0,0|1,0,1]=4 135 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 WXVL_AN0032SB0535 [0,2,0,0,0,0|1,0,1]=4 136 B18R2.1923 CCCNC(=O)c1ccc2ccc(cc2c1)Br WXVL_AK00504SE1429 [0,2,0,0,0,0|2,0,0]=4 137 B18R2.1923 CCCNC(=O)c1ccc2ccc(cc2c1)Br WXVL_AK00504SE1429 [0,2,0,0,0,0|2,0,0]=4 138 B18R2.1923 CCCNC(=O)c1ccc2ccc(cc2c1)O WXVL_AK00504SD00086 [0,2,0,0,0,0|2,0,0]=4 139 B18R2.1923 CCCNC(=O)c1ccc2ccc(cc2c1)O WXVL_AK00504SD00086 [0,2,0,0,0,0|2,0,0]=4 140 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)Br WXVL_AG00240SB0073 [0,2,0,0,0,0|1,0,1]=4 141 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)Br WXVL_AG00240SB0073 [0,2,0,0,0,0|1,0,1]=4 142 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)O WXVL_AG00115SB0073 [0,2,0,0,0,0|1,0,1]=4 143 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)O WXVL_AG00115SB0073 [0,2,0,0,0,0|1,0,1]=4 144 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1Br WXVL_AK00504SE1042 [0,2,0,0,0,0|2,0,0]=4 145 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1Br WXVL_AK00504SE1042 [0,2,0,0,0,0|2,0,0]=4 146 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1O WXVL_AK00504SE0010 [0,2,0,0,0,0|2,0,0]=4 147 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1O WXVL_AK00504SE0010 [0,2,0,0,0,0|2,0,0]=4 148 B18R2.2397 CCCCNC(=O)c1cc2ccccc2cn1 WXVL_AK00588SE0464 [0,2,0,0,0,0|2,0,0]=4 149 B18R2.2397 CCCCNC(=O)c1cc2ccccc2cn1 WXVL_AK00588SE0464 [0,2,0,0,0,0|2,0,0]=4 150 B18R2.2397 CCCCNC(=O)c1ccc2ccccc2c1 WXVL_AK00588SE0013 [0,2,0,0,0,0|1,0,0]=3 151 B18R2.2397 CCCCNC(=O)c1ccc2ccccc2c1 WXVL_AK00588SE0013 [0,2,0,0,0,0|1,0,0]=3 152 B18R2.2397 CCCCNC(=O)c1ccc2ccccc2n1 WXVL_AK00588SE0005 [0,2,0,0,0,0|2,0,0]=4 153 B18R2.2397 CCCCNC(=O)c1ccc2ccccc2n1 WXVL_AK00588SE0005 [0,2,0,0,0,0|2,0,0]=4 154 B18R2.2397 CCCCNC(=O)c1ccc2cccnc2c1 WXVL_AK00588SE0111 [0,2,0,0,0,0|2,0,0]=4 155 B18R2.2397 CCCCNC(=O)c1ccc2cccnc2c1 WXVL_AK00588SE0111 [0,2,0,0,0,0|2,0,0]=4 156 B18R2.2397 CCCCNC(=O)c1ccc2ccncc2c1 WXVL_AK00588SE0986 [0,2,0,0,0,0|2,0,0]=4 157 B18R2.2397 CCCCNC(=O)c1ccc2ccncc2c1 WXVL_AK00588SE0986 [0,2,0,0,0,0|2,0,0]=4 158 B18R2.2397 CCCCNC(=O)c1ccc2cnccc2c1 WXVL_AK00588SE0116 [0,2,0,0,0,0|2,0,0]=4 159 B18R2.2397 CCCCNC(=O)c1ccc2cnccc2c1 WXVL_AK00588SE0116 [0,2,0,0,0,0|2,0,0]=4 160 B18R2.2397 CCCCNC(=O)c1ccc2ncccc2c1 WXVL_AK00588SE0022 [0,2,0,0,0,0|2,0,0]=4 161 B18R2.2397 CCCCNC(=O)c1ccc2ncccc2c1 WXVL_AK00588SE0022 [0,2,0,0,0,0|2,0,0]=4 162 B18R2.2397 CCCCNC(=O)c1cnc2ccccc2c1 WXVL_AK00588SE0006 [0,2,0,0,0,0|2,0,0]=4 163 B18R2.2397 CCCCNC(=O)c1cnc2ccccc2c1 WXVL_AK00588SE0006 [0,2,0,0,0,0|2,0,0]=4 164 B18R2.2397 CSCCNC(=O)c1ccc2ccccc2c1 WXVL_AK00440SE0013 [0,2,0,0,0,0|2,0,0]=4 165 B18R2.2397 CSCCNC(=O)c1ccc2ccccc2c1 WXVL_AK00440SE0013 [0,2,0,0,0,0|2,0,0]=4 166 B18R2.2397 O=C(NCCCO)c1ccc2ccccc2c1 WXVL_AK0073SE0013 [0,2,0,0,0,0|2,0,0]=4 167 B18R2.2397 O=C(NCCCO)c1ccc2ccccc2c1 WXVL_AK0073SE0013 [0,2,0,0,0,0|2,0,0]=4 168 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 WXVL_AK00544SE0013 [0,2,0,0,0,0|2,0,0]=4 169 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 WXVL_AK00544SE0013 [0,2,0,0,0,0|2,0,0]=4 170 B18R2.14644 CC(O)CNC(=O)c1ccc2ccccc2c1 WXVL_AK0052SE0013 [0,2,0,0,0,0|2,0,0]=4 171 B18R2.14644 CC(O)CNC(=O)c1ccc2ccccc2c1 WXVL_AK0052SE0013 [0,2,0,0,0,0|2,0,0]=4 172 B18R2.14644 C[C@H](O)CNC(=O)c1ccc2ccccc2c1 WXVL_AK0113SE0013 [0,2,0,0,0,0|2,0,0]=4 173 B18R2.14644 C[C@H](O)CNC(=O)c1ccc2ccccc2c1 WXVL_AK0113SE0013 [0,2,0,0,0,0|2,0,0]=4 174 B18R2.29180 CCCNS(=O)(=O)c1ccc2ccccc2c1 WXVL_AK00504HU0003 [0,2,0,0,0,0|1,1,0]=4 175 B18R2.29180 CCCNS(=O)(=O)c1ccc2ccccc2c1 WXVL_AK00504HU0003 [0,2,0,0,0,0|1,1,0]=4 176 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Br WXVL_AK00504SE0216 [0,2,0,0,0,0|2,0,0]=4 177 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Br WXVL_AK00504SE0216 [0,2,0,0,0,0|2,0,0]=4 178 B18R2.123715 CCCNC(=O)c1cc(c2ccccc2c1)Br WXVL_AK00504SE3873 [0,2,0,0,0,0|2,0,0]=4 179 B18R2.123715 CCCNC(=O)c1cc(c2ccccc2c1)Br WXVL_AK00504SE3873 [0,2,0,0,0,0|2,0,0]=4 180 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1O WXVL_AK00504SE0542 [0,2,0,0,0,0|2,0,0]=4 181 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1O WXVL_AK00504SE0542 [0,2,0,0,0,0|2,0,0]=4 182 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Br WXVL_AK00504SE0476 [0,2,0,0,0,0|2,0,0]=4 183 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Br WXVL_AK00504SE0476 [0,2,0,0,0,0|2,0,0]=4 184 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Cl WXVL_AK00504SE0851 [0,2,0,0,0,0|2,0,0]=4 185 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Cl WXVL_AK00504SE0851 [0,2,0,0,0,0|2,0,0]=4 186 B18R2.2054 CCCC(=O)Nc1ccc2ccccc2c1Cl WXVL_AG00230SB0073 [0,2,0,0,0,0|1,0,1]=4 187 B18R2.2054 CCCC(=O)Nc1ccc2ccccc2c1Cl WXVL_AG00230SB0073 [0,2,0,0,0,0|1,0,1]=4 188 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00504SB0076 [0,2,0,0,0,0|1,0,1]=4 189 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 WXVL_AK00504SB0076 [0,2,0,0,0,0|1,0,1]=4 190 B18R2.33945 CCCNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00504YV0121 [0,2,0,0,0,0|1,0,1]=4 191 B18R2.33945 CCCNC(=O)Nc1ccc2ccccc2c1 WXVL_AK00504YV0121 [0,2,0,0,0,0|1,0,1]=4 192 B18R2.124646 CCCC(=O)Nc1ccc2cc(ccc2c1)Br WXVL_AG0465SB0073 [0,2,0,0,0,0|1,0,1]=4 193 B18R2.124646 CCCC(=O)Nc1ccc2cc(ccc2c1)Br WXVL_AG0465SB0073 [0,2,0,0,0,0|1,0,1]=4 194 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1I WXVL_AG0815SB0073 [0,2,0,0,0,0|1,0,1]=4 195 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1I WXVL_AG0815SB0073 [0,2,0,0,0,0|1,0,1]=4 196 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1O WXVL_AG1002SB0073 [0,2,0,0,0,0|1,0,1]=4 197 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1O WXVL_AG1002SB0073 [0,2,0,0,0,0|1,0,1]=4 198 B18R2.895465 CCCC(=O)Nc1ccc2c(cccc2c1)O WXVL_AG2923SB0073 [0,2,0,0,0,0|1,0,1]=4 199 B18R2.895465 CCCC(=O)Nc1ccc2c(cccc2c1)O WXVL_AG2923SB0073 [0,2,0,0,0,0|1,0,1]=4 200 B18R2.9469 CCC(=O)NCCc1ccc2ccccc2c1 WXVL_AK2322SB0064 [0,2,0,0,0,0|1,0,1]=4 201 B18R2.9469 CCC(=O)NCCc1ccc2ccccc2c1 WXVL_AK2322SB0064 [0,2,0,0,0,0|1,0,1]=4 202 B16R2.2238 O=C(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008SB0115 [0,0,1,1,0,0|2,0,0]=4 203 B16R2.2238 O=C(/C=C/c1ccccc1)N2CCCC2 WXVL_AN0008SB0115 [0,0,1,1,0,0|2,0,0]=4 204 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 WXVL_AK0001SE0013 [0,1,0,1,0,0|2,0,0]=4 205 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 WXVL_AK0001SE0013 [0,1,0,1,0,0|2,0,0]=4