0 B14R2.2 CC(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB0150 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.2 CC(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB0150 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.2 CC(=O)Nc1c[nH]c2c1cccn2 WXVL_AF00256SB0150 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.2 CC(=O)Nc1c[nH]c2c1cccn2 WXVL_AF00256SB0150 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.2 CC(=O)Nc1n[nH]c2c1cccc2 WXVL_AF2666SB0150 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.2 CC(=O)Nc1n[nH]c2c1cccc2 WXVL_AF2666SB0150 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.2 NC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK0084SA00109 [0,0,0,0,0,0|1,0,1]=2 7 B14R2.2 NC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK0084SA00109 [0,0,0,0,0,0|1,0,1]=2 8 B14R2.2 NC(=O)Cc1c[nH]c2c1cccn2 WXVL_AK0084SB4159 [0,0,0,0,0,0|2,0,1]=3 9 B14R2.2 NC(=O)Cc1c[nH]c2c1cccn2 WXVL_AK0084SB4159 [0,0,0,0,0,0|2,0,1]=3 10 B14R2.2 NC(=O)Cc1cnc2n1cccc2 WXVL_AK0084SB3742 [0,0,0,0,0,0|2,0,2]=4 11 B14R2.2 NC(=O)Cc1cnc2n1cccc2 WXVL_AK0084SB3742 [0,0,0,0,0,0|2,0,2]=4 12 B14R2.2 NC(=O)Cc1noc2c1cccc2 WXVL_AK0084SA0004 [0,0,0,0,0,0|3,0,1]=4 13 B14R2.2 NC(=O)Cc1noc2c1cccc2 WXVL_AK0084SA0004 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.2 NC(=O)Cn1ccc2c1cccc2 WXVL_AK0084SB1466 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.2 NC(=O)Cn1ccc2c1cccc2 WXVL_AK0084SB1466 [0,0,0,0,0,0|3,0,1]=4 16 B14R2.2 NC(=O)Cn1cnc2c1cccc2 WXVL_AK0084SB7755 [0,0,0,0,0,0|2,0,2]=4 17 B14R2.2 NC(=O)Cn1cnc2c1cccc2 WXVL_AK0084SB7755 [0,0,0,0,0,0|2,0,2]=4 18 B15R2.4 CCC(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB0064 [0,1,0,0,0,0|2,0,1]=4 19 B15R2.4 CCC(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB0064 [0,1,0,0,0,0|2,0,1]=4 20 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00442SA00109 [0,1,0,0,0,0|1,0,1]=3 21 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00442SA00109 [0,1,0,0,0,0|1,0,1]=3 22 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccn2 WXVL_AK00442SB4159 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccn2 WXVL_AK00442SB4159 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.4 O=C(CO)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB2706 [0,1,0,0,0,0|2,0,1]=4 25 B15R2.4 O=C(CO)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB2706 [0,1,0,0,0,0|2,0,1]=4 26 B15R2.377 NC(=O)Cc1c[nH]c2c1ccc(c2)F WXVL_AK0084SB4535 [0,1,0,0,0,0|1,0,1]=3 27 B15R2.377 NC(=O)Cc1c[nH]c2c1ccc(c2)F WXVL_AK0084SB4535 [0,1,0,0,0,0|1,0,1]=3 28 B15R2.377 NC(=O)Cc1n[nH]c2c1ccc(c2)Cl WXVL_AK0084SA00086 [0,1,0,0,0,0|2,0,1]=4 29 B15R2.377 NC(=O)Cc1n[nH]c2c1ccc(c2)Cl WXVL_AK0084SA00086 [0,1,0,0,0,0|2,0,1]=4 30 B15R2.9410 CC(=O)Nc1c[nH]c2c1cc(cc2)Br WXVL_AF00239SB0150 [0,1,0,0,0,0|2,0,1]=4 31 B15R2.9410 CC(=O)Nc1c[nH]c2c1cc(cc2)Br WXVL_AF00239SB0150 [0,1,0,0,0,0|2,0,1]=4 32 B15R2.9410 CC(=O)Nc1c[nH]c2c1cc(cc2)Cl WXVL_AF00162SB0150 [0,1,0,0,0,0|2,0,1]=4 33 B15R2.9410 CC(=O)Nc1c[nH]c2c1cc(cc2)Cl WXVL_AF00162SB0150 [0,1,0,0,0,0|2,0,1]=4 34 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)N WXVL_AK0084SA0060 [0,1,0,0,0,0|1,0,1]=3 35 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)N WXVL_AK0084SA0060 [0,1,0,0,0,0|1,0,1]=3 36 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)Br WXVL_AK0084SB0893 [0,1,0,0,0,0|1,0,1]=3 37 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)Br WXVL_AK0084SB0893 [0,1,0,0,0,0|1,0,1]=3 38 B15R2.13587 NC(=O)Cc1n[nH]c2c1cccc2Cl WXVL_AK0084SA00085 [0,1,0,0,0,0|2,0,1]=4 39 B15R2.13587 NC(=O)Cc1n[nH]c2c1cccc2Cl WXVL_AK0084SA00085 [0,1,0,0,0,0|2,0,1]=4 40 B15R2.53147 Cn1cc(c2c1cccc2)CC(=O)N WXVL_AK0084SB2102 [0,1,0,0,0,0|1,0,1]=3 41 B15R2.53147 Cn1cc(c2c1cccc2)CC(=O)N WXVL_AK0084SB2102 [0,1,0,0,0,0|1,0,1]=3 42 B13R2.72 NC(=O)c1c[nH]c2c1cccn2 WXVL_AK0084SE0048 [0,0,0,0,1,0|2,0,1]=4 43 B13R2.72 NC(=O)c1c[nH]c2c1cccn2 WXVL_AK0084SE0048 [0,0,0,0,1,0|2,0,1]=4 44 B13R2.72 NC(=O)c1c[nH]c2c1ccnc2 WXVL_AK0084SE0638 [0,0,0,0,1,0|2,0,1]=4 45 B13R2.72 NC(=O)c1c[nH]c2c1ccnc2 WXVL_AK0084SE0638 [0,0,0,0,1,0|2,0,1]=4 46 B13R2.72 NC(=O)c1coc2c1cccc2 WXVL_AK0084SE0302 [0,0,0,0,1,0|2,0,1]=4 47 B13R2.72 NC(=O)c1coc2c1cccc2 WXVL_AK0084SE0302 [0,0,0,0,1,0|2,0,1]=4 48 B13R2.72 NC(=O)c1csc2c1cccc2 WXVL_AK0084SE0108 [0,0,0,0,1,0|2,0,1]=4 49 B13R2.72 NC(=O)c1csc2c1cccc2 WXVL_AK0084SE0108 [0,0,0,0,1,0|2,0,1]=4 50 B13R2.72 NC(=O)c1n[nH]c2c1cccc2 WXVL_AK0084SE0379 [0,0,0,0,1,0|2,0,1]=4 51 B13R2.72 NC(=O)c1n[nH]c2c1cccc2 WXVL_AK0084SE0379 [0,0,0,0,1,0|2,0,1]=4 52 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB0150 [0,0,0,0,0,1|1,0,1]=3 53 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB0150 [0,0,0,0,0,1|1,0,1]=3 54 B15R2.6 CC(=O)NCc1csc2c1cccc2 WXVL_AK3951SB0150 [0,0,0,0,0,1|2,0,1]=4 55 B15R2.6 CC(=O)NCc1csc2c1cccc2 WXVL_AK3951SB0150 [0,0,0,0,0,1|2,0,1]=4 56 B15R2.6 CC(=O)NCc1n[nH]c2c1cccc2 WXVL_AK1533SB0150 [0,0,0,0,0,1|2,0,1]=4 57 B15R2.6 CC(=O)NCc1n[nH]c2c1cccc2 WXVL_AK1533SB0150 [0,0,0,0,0,1|2,0,1]=4 58 B15R2.6 NC(=O)/C=C/c1c[nH]c2c1cccc2 WXVL_AK0084SA0059 [0,0,0,0,0,1|1,0,2]=4 59 B15R2.6 NC(=O)/C=C/c1c[nH]c2c1cccc2 WXVL_AK0084SA0059 [0,0,0,0,0,1|1,0,2]=4 60 B15R2.6 NC(=O)CCc1c[nH]c2c1cccc2 WXVL_AK0084SA0021 [0,0,0,0,0,1|1,0,1]=3 61 B15R2.6 NC(=O)CCc1c[nH]c2c1cccc2 WXVL_AK0084SA0021 [0,0,0,0,0,1|1,0,1]=3 62 B15R2.6 NC(=O)CCc1c[nH]c2c1cccn2 WXVL_AK0084SB2286 [0,0,0,0,0,1|2,0,1]=4 63 B15R2.6 NC(=O)CCc1c[nH]c2c1cccn2 WXVL_AK0084SB2286 [0,0,0,0,0,1|2,0,1]=4 64 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 WXVL_AK0084SB0076 [0,0,0,0,0,1|2,0,1]=4 65 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 WXVL_AK0084SB0076 [0,0,0,0,0,1|2,0,1]=4 66 B15R2.68122 CC(C)Nc1ncnc2c1cccc2 WXVL_AK0030LP0257 [0,0,0,0,0,1|2,0,1]=4 67 B15R2.68122 CC(C)Nc1ncnc2c1cccc2 WXVL_AK0030LP0257 [0,0,0,0,0,1|2,0,1]=4 68 B14R1.423 CC(C)/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0036 [0,1,1,0,0,0|1,0,1]=4 69 B14R1.423 CC(C)/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0036 [0,1,1,0,0,0|1,0,1]=4 70 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0354 [0,1,1,0,0,0|1,0,1]=4 71 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0354 [0,1,1,0,0,0|1,0,1]=4 72 B14R2.300 NC(=O)c1c[nH]c2c1ccc(c2)Cl WXVL_AK0084SE0071 [0,1,0,0,1,0|1,0,1]=4 73 B14R2.300 NC(=O)c1c[nH]c2c1ccc(c2)Cl WXVL_AK0084SE0071 [0,1,0,0,1,0|1,0,1]=4 74 B14R2.642 Cc1[nH]c2ccccc2c1C(=O)N WXVL_AK0084SE0322 [0,1,0,0,1,0|1,0,1]=4 75 B14R2.642 Cc1[nH]c2ccccc2c1C(=O)N WXVL_AK0084SE0322 [0,1,0,0,1,0|1,0,1]=4 76 B14R2.5816 NC(=O)c1c[nH]c2c1cc(cc2)Br WXVL_AK0084SE0129 [0,1,0,0,1,0|1,0,1]=4 77 B14R2.5816 NC(=O)c1c[nH]c2c1cc(cc2)Br WXVL_AK0084SE0129 [0,1,0,0,1,0|1,0,1]=4 78 B14R2.5816 NC(=O)c1c[nH]c2c1cc(cc2)I WXVL_AK0084SC00039 [0,1,0,0,1,0|1,0,1]=4 79 B14R2.5816 NC(=O)c1c[nH]c2c1cc(cc2)I WXVL_AK0084SC00039 [0,1,0,0,1,0|1,0,1]=4 80 B14R2.8032 NC(=O)c1c[nH]c2c1cccc2Cl WXVL_AK0084SE1064 [0,1,0,0,1,0|1,0,1]=4 81 B14R2.8032 NC(=O)c1c[nH]c2c1cccc2Cl WXVL_AK0084SE1064 [0,1,0,0,1,0|1,0,1]=4 82 B14R2.8053 Cc1cccc2c1c(c[nH]2)C(=O)N WXVL_AK0084SE0734 [0,1,0,0,1,0|1,0,1]=4 83 B14R2.8053 Cc1cccc2c1c(c[nH]2)C(=O)N WXVL_AK0084SE0734 [0,1,0,0,1,0|1,0,1]=4 84 B14R2.8053 NC(=O)c1c[nH]c2c1c(ccc2)Cl WXVL_AK0084SE0643 [0,1,0,0,1,0|1,0,1]=4 85 B14R2.8053 NC(=O)c1c[nH]c2c1c(ccc2)Cl WXVL_AK0084SE0643 [0,1,0,0,1,0|1,0,1]=4 86 B16R2.12 CC(C)C(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB0052 [0,1,0,0,0,1|1,0,1]=4 87 B16R2.12 CC(C)C(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB0052 [0,1,0,0,0,1|1,0,1]=4 88 B16R2.12 CC(S)C(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB2708 [0,1,0,0,0,1|1,0,1]=4 89 B16R2.12 CC(S)C(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB2708 [0,1,0,0,0,1|1,0,1]=4 90 B16R2.12 CN(C)C(=O)Cc1c[nH]c2c1cccc2 WXVL_AN0032SA00109 [0,1,0,0,0,1|2,0,0]=4 91 B16R2.12 CN(C)C(=O)Cc1c[nH]c2c1cccc2 WXVL_AN0032SA00109 [0,1,0,0,0,1|2,0,0]=4 92 B16R2.12 C[C@@H](O)C(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB1085 [0,1,0,0,0,1|1,0,1]=4 93 B16R2.12 C[C@@H](O)C(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB1085 [0,1,0,0,0,1|1,0,1]=4 94 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB0064 [0,1,0,0,0,1|1,0,1]=4 95 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB0064 [0,1,0,0,0,1|1,0,1]=4 96 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 WXVL_AK00442SA0021 [0,1,0,0,0,1|1,0,1]=4 97 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 WXVL_AK00442SA0021 [0,1,0,0,0,1|1,0,1]=4 98 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB2706 [0,1,0,0,0,1|1,0,1]=4 99 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB2706 [0,1,0,0,0,1|1,0,1]=4 100 B16R2.15551 NC(=O)CCc1c[nH]c2c1cc(cc2)F WXVL_AK0084SB6827 [0,1,0,0,0,1|1,0,1]=4 101 B16R2.15551 NC(=O)CCc1c[nH]c2c1cc(cc2)F WXVL_AK0084SB6827 [0,1,0,0,0,1|1,0,1]=4 102 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C WXVL_AK0543SB0150 [0,1,0,0,0,1|1,0,1]=4 103 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C WXVL_AK0543SB0150 [0,1,0,0,0,1|1,0,1]=4 104 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00476SA00109 [0,2,0,0,0,0|1,0,1]=4 105 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00476SA00109 [0,2,0,0,0,0|1,0,1]=4 106 B16R2.33556 CNC(=O)Cc1cn(c2c1cccc2)C WXVL_AK00442SB2102 [0,2,0,0,0,0|1,0,1]=4 107 B16R2.33556 CNC(=O)Cc1cn(c2c1cccc2)C WXVL_AK00442SB2102 [0,2,0,0,0,0|1,0,1]=4 108 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)F WXVL_AK00442SB4535 [0,2,0,0,0,0|1,0,1]=4 109 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)F WXVL_AK00442SB4535 [0,2,0,0,0,0|1,0,1]=4 110 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Br WXVL_AK00442SB0893 [0,2,0,0,0,0|1,0,1]=4 111 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Br WXVL_AK00442SB0893 [0,2,0,0,0,0|1,0,1]=4 112 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)C WXVL_AK00442SA0060 [0,2,0,0,0,0|1,0,1]=4 113 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)C WXVL_AK00442SA0060 [0,2,0,0,0,0|1,0,1]=4 114 B16R2.2482 COc1ccc2c(c[nH]c2c1)CC(=O)N WXVL_AK0084SB4287 [0,2,0,0,0,0|1,0,1]=4 115 B16R2.2482 COc1ccc2c(c[nH]c2c1)CC(=O)N WXVL_AK0084SB4287 [0,2,0,0,0,0|1,0,1]=4 116 B14R2.7150 CCNc1ncnc2c1cccc2 WXVL_AK00476LP0257 [1,0,0,0,0,1|1,0,1]=4 117 B14R2.7150 CCNc1ncnc2c1cccc2 WXVL_AK00476LP0257 [1,0,0,0,0,1|1,0,1]=4 118 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 WXVL_AK0298SB0150 [0,0,0,0,0,2|1,0,1]=4 119 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 WXVL_AK0298SB0150 [0,0,0,0,0,2|1,0,1]=4 120 B16R2.179941 CC(C)CNc1ncnc2c1cccc2 WXVL_AK00544LP0257 [0,0,0,0,0,2|1,0,1]=4 121 B16R2.179941 CC(C)CNc1ncnc2c1cccc2 WXVL_AK00544LP0257 [0,0,0,0,0,2|1,0,1]=4 122 B16R2.179941 CC(O)CNc1ncnc2c1cccc2 WXVL_AK0052LP0257 [0,0,0,0,0,2|1,0,1]=4 123 B16R2.179941 CC(O)CNc1ncnc2c1cccc2 WXVL_AK0052LP0257 [0,0,0,0,0,2|1,0,1]=4 124 B16R2.179941 C[C@H](O)CNc1ncnc2c1cccc2 WXVL_AK0113LP0257 [0,0,0,0,0,2|1,0,1]=4 125 B16R2.179941 C[C@H](O)CNc1ncnc2c1cccc2 WXVL_AK0113LP0257 [0,0,0,0,0,2|1,0,1]=4