0 B24R2.7085053 CCN(CCO)CCCC(C)Nc1ncnc2c1ccc(c2)Br WXVL_AK7683LQ2479 [0,0,0,0,0,0|1,1,0]=2 1 B24R2.7085053 CCN(CCO)CCCC(C)Nc1ncnc2c1ccc(c2)Br WXVL_AK7683LQ2479 [0,0,0,0,0,0|1,1,0]=2 2 B24R2.7085053 CCN(CCO)CCCC(C)Nc1ncnc2c1ccc(c2)C WXVL_AK7683LP1016 [0,0,0,0,0,0|2,0,0]=2 3 B24R2.7085053 CCN(CCO)CCCC(C)Nc1ncnc2c1ccc(c2)C WXVL_AK7683LP1016 [0,0,0,0,0,0|2,0,0]=2 4 B24R2.7085053 CCN(CCO)CCCC(C)Nc1ncnc2c1ccc(c2)F WXVL_AK7683LP0376 [0,0,0,0,0,0|1,1,0]=2 5 B24R2.7085053 CCN(CCO)CCCC(C)Nc1ncnc2c1ccc(c2)F WXVL_AK7683LP0376 [0,0,0,0,0,0|1,1,0]=2 6 B23R2.35478462 CCN(CCO)CCCC(C)Nc1ncnc2c1cccc2 WXVL_AK7683LP0257 [1,0,0,0,0,0|1,0,0]=2 7 B23R2.35478462 CCN(CCO)CCCC(C)Nc1ncnc2c1cccc2 WXVL_AK7683LP0257 [1,0,0,0,0,0|1,0,0]=2 8 B23R2.35478462 CCN(CCO)CCCC(C)Nc1ncnc2c1ccnc2 WXVL_AK7683LP0471 [1,0,0,0,0,0|2,0,0]=3 9 B23R2.35478462 CCN(CCO)CCCC(C)Nc1ncnc2c1ccnc2 WXVL_AK7683LP0471 [1,0,0,0,0,0|2,0,0]=3 10 B23R2.35478462 CCN(CCO)CCCC(C)Nc1ncnc2c1nccc2 WXVL_AK7683LP0411 [1,0,0,0,0,0|2,0,0]=3 11 B23R2.35478462 CCN(CCO)CCCC(C)Nc1ncnc2c1nccc2 WXVL_AK7683LP0411 [1,0,0,0,0,0|2,0,0]=3 12 B25R2.82954027 CCN(CCO)CCCC(C)Nc1ncnc2c1ccc(c2)OC WXVL_AK7683LP1163 [0,1,0,0,0,0|2,0,0]=3 13 B25R2.82954027 CCN(CCO)CCCC(C)Nc1ncnc2c1ccc(c2)OC WXVL_AK7683LP1163 [0,1,0,0,0,0|2,0,0]=3 14 B23R1.579466 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1OC)Cl WXVL_AK7683SD0203 [0,0,1,0,0,0|2,0,1]=4 15 B23R1.579466 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1OC)Cl WXVL_AK7683SD0203 [0,0,1,0,0,0|2,0,1]=4 16 B23R2.5469926 CCN(CCO)CCCC(C)Nc1ncnc2c1[nH]cc2Br WXVL_AK7683LR0529 [0,0,0,0,1,0|2,1,0]=4 17 B23R2.5469926 CCN(CCO)CCCC(C)Nc1ncnc2c1[nH]cc2Br WXVL_AK7683LR0529 [0,0,0,0,1,0|2,1,0]=4 18 B23R2.5469926 CCN(CCO)CCCC(C)Nc1ncnc2c1ccn2C WXVL_AK7683LP0456 [0,0,0,0,1,0|3,0,0]=4 19 B23R2.5469926 CCN(CCO)CCCC(C)Nc1ncnc2c1ccn2C WXVL_AK7683LP0456 [0,0,0,0,1,0|3,0,0]=4 20 B23R2.5469926 CCN(CCO)CCCC(C)Nc1ncnc2c1scc2Br WXVL_AK7683LR0532 [0,0,0,0,1,0|2,1,0]=4 21 B23R2.5469926 CCN(CCO)CCCC(C)Nc1ncnc2c1scc2Br WXVL_AK7683LR0532 [0,0,0,0,1,0|2,1,0]=4 22 B23R2.5469926 CCN(CCO)CCCC(C)Nc1ncnc2c1scc2C WXVL_AK7683LP0636 [0,0,0,0,1,0|3,0,0]=4 23 B23R2.5469926 CCN(CCO)CCCC(C)Nc1ncnc2c1scc2C WXVL_AK7683LP0636 [0,0,0,0,1,0|3,0,0]=4 24 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ccnc2n1nc(c2)Br WXVL_AK7683LP3359 [0,0,0,0,1,0|2,1,0]=4 25 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ccnc2n1nc(c2)Br WXVL_AK7683LP3359 [0,0,0,0,1,0|2,1,0]=4 26 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1cc([nH]2)Br WXVL_AK7683LR0533 [0,0,0,0,1,0|2,1,0]=4 27 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1cc([nH]2)Br WXVL_AK7683LR0533 [0,0,0,0,1,0|2,1,0]=4 28 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1cc([nH]2)C WXVL_AK7683LP0780 [0,0,0,0,1,0|3,0,0]=4 29 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1cc([nH]2)C WXVL_AK7683LP0780 [0,0,0,0,1,0|3,0,0]=4 30 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(s2)Br WXVL_AK7683LR0544 [0,0,0,0,1,0|2,1,0]=4 31 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(s2)Br WXVL_AK7683LR0544 [0,0,0,0,1,0|2,1,0]=4 32 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1sc(c2)Br WXVL_AK7683LR0534 [0,0,0,0,1,0|2,1,0]=4 33 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1sc(c2)Br WXVL_AK7683LR0534 [0,0,0,0,1,0|2,1,0]=4 34 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1sc(c2)I WXVL_AK7683LR0012 [0,0,0,0,1,0|2,1,0]=4 35 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnc2c1sc(c2)I WXVL_AK7683LR0012 [0,0,0,0,1,0|2,1,0]=4 36 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnn2c1cc(c2)Br WXVL_AK7683LR0556 [0,0,0,0,1,0|2,1,0]=4 37 B23R2.5469934 CCN(CCO)CCCC(C)Nc1ncnn2c1cc(c2)Br WXVL_AK7683LR0556 [0,0,0,0,1,0|2,1,0]=4 38 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1Br)Cl WXVL_AK7683SD0436 [1,0,1,0,0,0|2,0,0]=4 39 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1Br)Cl WXVL_AK7683SD0436 [1,0,1,0,0,0|2,0,0]=4 40 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1C)Cl WXVL_AK7683SD0114 [1,0,1,0,0,0|1,0,1]=4 41 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1C)Cl WXVL_AK7683SD0114 [1,0,1,0,0,0|1,0,1]=4 42 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1Cl)Cl WXVL_AK7683SD0008 [1,0,1,0,0,0|2,0,0]=4 43 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1Cl)Cl WXVL_AK7683SD0008 [1,0,1,0,0,0|2,0,0]=4 44 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1F)Cl WXVL_AK7683SD0106 [1,0,1,0,0,0|2,0,0]=4 45 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1F)Cl WXVL_AK7683SD0106 [1,0,1,0,0,0|2,0,0]=4 46 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1I)Cl WXVL_AK7683SD0323 [1,0,1,0,0,0|2,0,0]=4 47 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1I)Cl WXVL_AK7683SD0323 [1,0,1,0,0,0|2,0,0]=4 48 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1O)Cl WXVL_AK7683SD0550 [1,0,1,0,0,0|2,0,0]=4 49 B22R1.474734 CCN(CCO)CCCC(C)NC(=O)c1ccc(cc1O)Cl WXVL_AK7683SD0550 [1,0,1,0,0,0|2,0,0]=4 50 B22R2.341400 CCN(CC)CCCCNc1ncnc2c1ccc(c2)Br WXVL_AK0925LQ2479 [2,0,0,0,0,0|1,1,0]=4 51 B22R2.341400 CCN(CC)CCCCNc1ncnc2c1ccc(c2)Br WXVL_AK0925LQ2479 [2,0,0,0,0,0|1,1,0]=4 52 B22R2.341400 CCN(CC)CCCCNc1ncnc2c1ccc(c2)C WXVL_AK0925LP1016 [2,0,0,0,0,0|2,0,0]=4 53 B22R2.341400 CCN(CC)CCCCNc1ncnc2c1ccc(c2)C WXVL_AK0925LP1016 [2,0,0,0,0,0|2,0,0]=4 54 B22R2.341400 CCN(CC)CCCCNc1ncnc2c1ccc(c2)F WXVL_AK0925LP0376 [2,0,0,0,0,0|1,1,0]=4 55 B22R2.341400 CCN(CC)CCCCNc1ncnc2c1ccc(c2)F WXVL_AK0925LP0376 [2,0,0,0,0,0|1,1,0]=4 56 B24R2.7085058 CCN(CCO)CCCC(C)Nc1ncnc2c1cccc2Br WXVL_AK7683LQ2165 [1,1,0,0,0,0|1,0,0]=3 57 B24R2.7085058 CCN(CCO)CCCC(C)Nc1ncnc2c1cccc2Br WXVL_AK7683LQ2165 [1,1,0,0,0,0|1,0,0]=3 58 B24R2.7085058 CCN(CCO)CCCC(C)Nc1ncnc2c1cccc2C WXVL_AK7683LP0618 [1,1,0,0,0,0|1,0,0]=3 59 B24R2.7085058 CCN(CCO)CCCC(C)Nc1ncnc2c1cccc2C WXVL_AK7683LP0618 [1,1,0,0,0,0|1,0,0]=3 60 B24R2.7085058 CCN(CCO)CCCC(C)Nc1ncnc2c1cccc2F WXVL_AK7683LP0953 [1,1,0,0,0,0|1,0,0]=3 61 B24R2.7085058 CCN(CCO)CCCC(C)Nc1ncnc2c1cccc2F WXVL_AK7683LP0953 [1,1,0,0,0,0|1,0,0]=3 62 B24R2.54657603 CCN(CCO)CCCC(C)Nc1ncnc2c1c(ccc2)F WXVL_AK7683LP1408 [1,1,0,0,0,0|1,0,0]=3 63 B24R2.54657603 CCN(CCO)CCCC(C)Nc1ncnc2c1c(ccc2)F WXVL_AK7683LP1408 [1,1,0,0,0,0|1,0,0]=3 64 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cc2)Br WXVL_AK7683LQ2091 [1,1,0,0,0,0|1,0,0]=3 65 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cc2)Br WXVL_AK7683LQ2091 [1,1,0,0,0,0|1,0,0]=3 66 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cc2)C WXVL_AK7683LP0622 [1,1,0,0,0,0|1,0,0]=3 67 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cc2)C WXVL_AK7683LP0622 [1,1,0,0,0,0|1,0,0]=3 68 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cc2)F WXVL_AK7683LP0380 [1,1,0,0,0,0|1,0,0]=3 69 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cc2)F WXVL_AK7683LP0380 [1,1,0,0,0,0|1,0,0]=3 70 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cc2)I WXVL_AK7683LP3352 [1,1,0,0,0,0|1,0,0]=3 71 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cc2)I WXVL_AK7683LP3352 [1,1,0,0,0,0|1,0,0]=3 72 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cn2)Br WXVL_AK7683LQ2122 [1,1,0,0,0,0|2,0,0]=4 73 B24R2.54657649 CCN(CCO)CCCC(C)Nc1ncnc2c1cc(cn2)Br WXVL_AK7683LQ2122 [1,1,0,0,0,0|2,0,0]=4 74 B24R2.56568033 CCN(CCO)CCCC(C)Nc1nc(nc2c1cccc2)C WXVL_AK7683LP0578 [1,1,0,0,0,0|1,0,0]=3 75 B24R2.56568033 CCN(CCO)CCCC(C)Nc1nc(nc2c1cccc2)C WXVL_AK7683LP0578 [1,1,0,0,0,0|1,0,0]=3 76 B26R2.11311770 CCN(CCO)CCCC(C)NC(=O)c1cccc2c1ccc(c2)C WXVL_AK7683SD00124 [0,1,0,0,0,1|2,0,0]=4 77 B26R2.11311770 CCN(CCO)CCCC(C)NC(=O)c1cccc2c1ccc(c2)C WXVL_AK7683SD00124 [0,1,0,0,0,1|2,0,0]=4 78 B26R2.11311770 CCN(CCO)CCCC(C)NC(=O)c1cccc2c1ccc(c2)O WXVL_AK7683SE0517 [0,1,0,0,0,1|2,0,0]=4 79 B26R2.11311770 CCN(CCO)CCCC(C)NC(=O)c1cccc2c1ccc(c2)O WXVL_AK7683SE0517 [0,1,0,0,0,1|2,0,0]=4 80 B26R2.11311770 CCN(CCO)CCCC(C)NC(=O)c1cccc2c1ccc(n2)Cl WXVL_AK7683SE0519 [0,1,0,0,0,1|2,0,0]=4 81 B26R2.11311770 CCN(CCO)CCCC(C)NC(=O)c1cccc2c1ccc(n2)Cl WXVL_AK7683SE0519 [0,1,0,0,0,1|2,0,0]=4 82 B24R3.13202429 CCN1CCC(CC1)C(=O)Nc2ccnc3c2ccc(c3)Cl WXVL_AF1399SB0755 [1,0,0,1,0,0|1,0,1]=4 83 B24R3.13202429 CCN1CCC(CC1)C(=O)Nc2ccnc3c2ccc(c3)Cl WXVL_AF1399SB0755 [1,0,0,1,0,0|1,0,1]=4 84 B24R3.22454 O=C(CCN1CCOCC1)Nc2ccnc3c2ccc(c3)Cl WXVL_AF1399SB0196 [0,0,0,1,1,0|1,0,1]=4 85 B24R3.22454 O=C(CCN1CCOCC1)Nc2ccnc3c2ccc(c3)Cl WXVL_AF1399SB0196 [0,0,0,1,1,0|1,0,1]=4 86 B26R3.2843949 O=S(=O)(CCCN1CCOCC1)Nc2ccnc3c2ccc(c3)Cl WXVL_AF1399HU3396 [0,1,0,1,0,0|2,0,0]=4 87 B26R3.2843949 O=S(=O)(CCCN1CCOCC1)Nc2ccnc3c2ccc(c3)Cl WXVL_AF1399HU3396 [0,1,0,1,0,0|2,0,0]=4 88 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ccnc2n1ncc2 WXVL_AK7683LP0018 [1,0,0,0,1,0|2,0,0]=4 89 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ccnc2n1ncc2 WXVL_AK7683LP0018 [1,0,0,0,1,0|2,0,0]=4 90 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1[nH]cc2 WXVL_AK7683LP0194 [1,0,0,0,1,0|2,0,0]=4 91 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1[nH]cc2 WXVL_AK7683LP0194 [1,0,0,0,1,0|2,0,0]=4 92 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1cc[nH]2 WXVL_AK7683LP0055 [1,0,0,0,1,0|2,0,0]=4 93 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1cc[nH]2 WXVL_AK7683LP0055 [1,0,0,0,1,0|2,0,0]=4 94 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1cco2 WXVL_AK7683LP0417 [1,0,0,0,1,0|2,0,0]=4 95 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1cco2 WXVL_AK7683LP0417 [1,0,0,0,1,0|2,0,0]=4 96 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1ccs2 WXVL_AK7683LP0097 [1,0,0,0,1,0|2,0,0]=4 97 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1ccs2 WXVL_AK7683LP0097 [1,0,0,0,1,0|2,0,0]=4 98 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1scc2 WXVL_AK7683LP0180 [1,0,0,0,1,0|2,0,0]=4 99 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnc2c1scc2 WXVL_AK7683LP0180 [1,0,0,0,1,0|2,0,0]=4 100 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnn2c1ccc2 WXVL_AK7683LP3349 [1,0,0,0,1,0|2,0,0]=4 101 B22R2.4249713 CCN(CCO)CCCC(C)Nc1ncnn2c1ccc2 WXVL_AK7683LP3349 [1,0,0,0,1,0|2,0,0]=4 102 B24R2.54672830 CCN(CCO)CCCC(C)Nc1ncc2cc(ccc2n1)Br WXVL_AK7683LQ2208 [0,0,0,0,1,1|1,1,0]=4 103 B24R2.54672830 CCN(CCO)CCCC(C)Nc1ncc2cc(ccc2n1)Br WXVL_AK7683LQ2208 [0,0,0,0,1,1|1,1,0]=4