HTS1610-01032368 84 89 0 0 0 0 0 0 0 0999 V2000 3.4648 0.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 1.0092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 2.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 0.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 -1.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -1.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 2.9726 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 3.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2757 -0.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 3.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3619 1.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 -1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 -3.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -3.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 0.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 -4.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9600 1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 -5.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8842 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 -0.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -6.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8879 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -1.1639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -1.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3551 1.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 2.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7402 -3.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3587 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4280 3.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3699 -4.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9537 -4.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8953 3.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 1.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2132 -5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -5.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8989 4.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -6.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3662 4.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3698 5.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8371 5.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 0.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2835 -1.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 -1.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8578 3.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 3.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4486 2.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2835 -3.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 -3.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9424 2.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1806 -0.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7548 1.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4797 1.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3457 0.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2518 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -1.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0701 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1954 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3709 -7.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 -6.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7801 -6.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5406 0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8375 2.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2426 4.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8844 -3.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5018 -4.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8051 1.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4129 1.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0508 2.4653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -5.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2824 -6.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 -6.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1415 3.8939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8750 4.1324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1844 6.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0225 4.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2385 5.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 13 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 2 0 0 0 0 9 18 1 0 0 0 0 10 19 2 0 0 0 0 13 20 2 0 0 0 0 16 21 1 0 0 0 0 18 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 32 35 1 0 0 0 0 33 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 36 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 2 0 0 0 0 40 44 1 0 0 0 0 42 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 7 12 1 0 0 0 0 11 13 1 0 0 0 0 19 22 1 0 0 0 0 31 32 1 0 0 0 0 37 40 2 0 0 0 0 43 45 1 0 0 0 0 1 49 1 0 0 0 0 9 50 1 0 0 0 0 10 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 45 79 1 0 0 0 0 46 80 1 0 0 0 0 46 81 1 0 0 0 0 47 82 1 0 0 0 0 48 83 1 0 0 0 0 48 84 1 0 0 0 0 M END >HTS1610-01032368-01 > Namiki1610 > NS-006267934-0000 > C38H36N4O5S > 660.794 > 0 > 0 > 7 > -8.2461 > -1.5291 > 1 > -10.8989 > 5.4710 > C=CCOc3ccc(c5nn(c1ccccc1)cc5C=C4SC6=NC(=C(C(N6C4=O)c2ccc(cc2)OC)C(OC(C)C)=O)C)cc3C > KSH2016-01924508 HTS1610-01039488 HTS1610-01039489 HTS1610-01032367 $$$$