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0 0 0 0 0 0 6.3301 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 9.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 8.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -8.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -8.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 50 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 13 1 0 0 0 0 2 41 1 0 0 0 0 3 35 1 0 0 0 0 3 51 1 0 0 0 0 4 38 2 0 0 0 0 7 14 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 26 11 1 6 0 0 0 11 37 1 0 0 0 0 11 81 1 0 0 0 0 12 34 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 38 1 0 0 0 0 13 85 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 18 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 21 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 31 1 0 0 0 0 22 32 2 0 0 0 0 23 27 1 0 0 0 0 23 67 1 0 0 0 0 24 28 2 0 0 0 0 24 68 1 0 0 0 0 25 33 1 0 0 0 0 25 69 1 0 0 0 0 26 29 1 0 0 0 0 26 35 1 0 0 0 0 26 70 1 0 0 0 0 27 30 2 0 0 0 0 27 73 1 0 0 0 0 28 30 1 0 0 0 0 28 74 1 0 0 0 0 29 34 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 38 1 0 0 0 0 31 39 2 0 0 0 0 31 40 1 0 0 0 0 32 36 1 0 0 0 0 32 75 1 0 0 0 0 33 36 2 0 0 0 0 33 78 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 36 82 1 0 0 0 0 37 42 2 0 0 0 0 37 43 1 0 0 0 0 39 48 1 0 0 0 0 39 83 1 0 0 0 0 40 49 2 0 0 0 0 40 84 1 0 0 0 0 41 44 2 0 0 0 0 41 45 1 0 0 0 0 42 44 1 0 0 0 0 43 45 2 0 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 48 50 2 0 0 0 0 48 95 1 0 0 0 0 49 50 1 0 0 0 0 49 96 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 52 97 1 0 0 0 0 53 55 2 0 0 0 0 53 98 1 0 0 0 0 54 56 2 0 0 0 0 54 99 1 0 0 0 0 55 56 1 0 0 0 0 55100 1 0 0 0 0 56101 1 0 0 0 0 M CHG 2 7 -1 14 1 M END > 11228183 > 1 > 1320 > 10 > 2 > 15 > AAADcfB/uABkAAAAAAAAAAAAAAAAAAAAAAA8YMGDAAAAAAABVAAAHgYUQAAADCrF2CSywYPQQAqJAiVSU3DCABAlDxAoiJkIdsoIYDLh15GUIQxgkIDoyYcYicCejAQAACAQACAYCAAAQCAAQAAAAAAAAA== > 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(1R)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide > 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-N-[4-[[(2R)-4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide > 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide > 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide > 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide > 4-[4-[2-(4-chlorophenyl)benzyl]piperazino]-N-[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide > InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 > HPLNQCPCUACXLM-PGUFJCEWSA-N > 9 > 812.2581386 > C42H45ClN6O5S2 > 813.4 > CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-] > CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-] > 165 > 812.2581386 > 0 > 56 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 26 11 6 20 23 8 20 24 8 21 22 8 21 25 8 22 32 8 23 27 8 24 28 8 25 33 8 27 30 8 28 30 8 31 39 8 31 40 8 32 36 8 33 36 8 37 42 8 37 43 8 39 48 8 40 49 8 41 44 8 41 45 8 42 44 8 43 45 8 48 50 8 49 50 8 51 52 8 51 53 8 52 54 8 53 55 8 54 56 8 55 56 8 $$$$