0 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(C)NC#N ca654f29c9678ccae3e6761ddb91602e [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,1,0,0,0,0|2,0,1]=4 5 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,1,0,0,0,0|2,0,1]=4 7 B7R0.2 C=C(Br)CN(C)CC a95e900b3ccec6668bc411630f5decf3 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,1,0,0,0,0|3,0,0]=4 9 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.2 C=C(Cl)CN(C)CC 85a42652568d865a3db0ed61404dde1c [0,1,0,0,0,0|3,0,0]=4 11 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,1,0,0,0,0|2,0,0]=3 16 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.2 CC(C)CN(C)CF f2a6b79f5877628929a1b31fd183a5d0 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [0,1,0,0,0,0|2,0,1]=4 21 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [0,1,0,0,0,0|3,0,0]=4 25 B7R0.2 CC(O)CN(C)CF c09526189cafd23891f682c66649d125 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [0,1,0,0,0,0|2,0,1]=4 27 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,1,0,0,0,0|2,0,0]=3 29 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,1,0,0,0,0|1,0,0]=2 30 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [0,1,0,0,0,0|3,0,0]=4 31 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,1,0,0,0,0|2,0,1]=4 33 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 CCN(C)C[N+](=O)[O-] 1747c815c0bddd9b3eea2e8a91b60fbe [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.2 CN(C=O)CC(=O)N 647b1daaec1cafb5c97dc5a4d13d2291 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 CN(CF)CC(=O)N 35f09c99eb4485b888503c93a96568a5 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.2 CN(CO)CC(=O)N 731e626c7cf4b35c02c8b97f3321d2b5 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,1,0,0,0,0|1,0,0]=2 42 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [0,1,0,0,0,0|3,0,0]=4 43 B7R0.2 C[C@H](O)CN(C)CF 5a09021deee6ed4ea8f52ce12dc22c90 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [0,1,0,0,0,0|2,0,1]=4 45 B7R0.9 CC(=O)NC(C)(C)C a1c7999946c2b3954cecc4a7e85b6160 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,1,0,0,0,0|2,0,0]=3 47 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,0,0,1,0,0|2,0,0]=3 48 B7R0.6 C=C(Br)CNC(C)C c11e07a13ecc707bc58321e025560b63 [0,0,0,0,0,1|2,0,0]=3 49 B7R0.6 C=C(Br)COC(C)C 85740d76b7c2437207f473c522fb5652 [0,0,0,0,0,1|2,0,0]=3 50 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,0,0,0,0,1|1,0,2]=4 51 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,0,0,0,0,1|2,0,0]=3 52 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,0,0,0,0,1|2,0,0]=3 53 B7R0.6 C=C(Cl)COC(C)C 83e9098a63a39f58f2f10cb0166f135d [0,0,0,0,0,1|2,0,0]=3 54 B7R0.6 C=C(I)COC(C)C 638d63b8c7c0ebdc1a903379afb5a44c [0,0,0,0,0,1|2,0,0]=3 55 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,0,0,0,0,1|2,0,1]=4 56 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,0,0,0,0,1|1,0,0]=2 57 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,0,0,0,0,1|1,0,0]=2 58 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,0,0,0,0,1|2,0,1]=4 59 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,0,0,0,0,1|1,0,0]=2 60 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,0,0,0,0,1|2,0,0]=3 61 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,0,0,0,0,1|3,0,0]=4 62 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,0,0,0,0,1|2,0,0]=3 63 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,0,0,0,0,1|2,0,0]=3 64 B7R0.6 CC(C)CNC(C)C 196a13ba094adf361c17685c0872f24d [0,0,0,0,0,1|2,0,1]=4 65 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [0,0,0,0,0,1|2,0,1]=4 66 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,0,0,0,0,1|1,0,0]=2 67 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,0,0,0,0,1|0,0,0]=1 68 B7R0.6 CC(C)NCC(F)F e16f4a2920b36a22dd7fc9f2f8c67c3b [0,0,0,0,0,1|2,0,1]=4 69 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,0,0,0,0,1|1,0,1]=3 70 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,0,0,0,0,1|1,0,1]=3 71 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,0,0,0,0,1|1,0,0]=2 72 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,0,0,0,0,1|0,0,0]=1 73 B7R0.6 CC(C)OCC(=S)N 1cbdee4d5c3385daad7ba959afed69ee [0,0,0,0,0,1|1,1,0]=3 74 B7R0.6 CC(C)OCC(F)F 3a22706a89b0937c0849011a08e51b94 [0,0,0,0,0,1|2,0,1]=4 75 B7R0.6 CC(C)OCN(C)C 10d50f079b7aea6fe97d70fc778c501b [0,0,0,0,0,1|3,0,0]=4 76 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,0,0,0,0,1|1,0,0]=2 77 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [0,0,0,0,0,1|2,0,1]=4 78 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [0,0,0,0,0,1|2,0,1]=4 79 B7R0.6 CC(C)OC[N+](=O)[O-] a09a83c915051312c8a631b9d400a750 [0,0,0,0,0,1|1,0,1]=3 80 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [0,0,0,0,0,1|2,0,1]=4 81 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,0,0,0,0,1|1,0,1]=3 82 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [0,0,0,0,0,1|1,1,1]=4 83 B6R0.1 C#CC(C)NC=O 50c944dc0c2f52246cf2f8b75f249da5 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.1 C#C[C@@H](C)NC=O 4fee702505a1fdefb270b5b6e9eb7aa3 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.1 C#C[C@H](C)NC=O 55f7e717dc246fc1c154a9332387447d [1,1,0,0,0,0|1,0,1]=4 86 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [1,1,0,0,0,0|1,0,1]=4 88 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [1,1,0,0,0,0|2,0,0]=4 89 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [1,1,0,0,0,0|2,0,0]=4 91 B6R0.1 CC(C#N)NC=O bab971dbe2c7155864d30c197f73349b [1,1,0,0,0,0|1,0,1]=4 92 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [1,1,0,0,0,0|1,0,0]=3 93 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,1,0,0,0,0|2,0,0]=4 97 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|2,0,0]=4 98 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,1,0,0,0,0|1,0,0]=3 99 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [1,1,0,0,0,0|1,0,0]=3 101 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [1,1,0,0,0,0|1,0,0]=3 103 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [1,1,0,0,0,0|1,0,1]=4 105 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [1,1,0,0,0,0|1,0,0]=3 107 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [1,1,0,0,0,0|1,0,0]=3 109 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [1,1,0,0,0,0|1,0,1]=4 112 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.4 C#CCNC(C)C cd1408fc1dae47155e40a1bc6beb1606 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,1,0,0,0,0|0,0,2]=4 118 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|2,0,0]=4 119 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,1,0,0,0,0|2,0,0]=4 122 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|2,0,0]=4 127 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,1,0,0,0,0|2,0,0]=4 130 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,1,0,0,0,0|2,0,0]=4 131 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.4 CC(C)CNC#N 4669aa11e322ca513b1e9ea16868c159 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,1,0,0,0,0|0,0,0]=2 135 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,1,0,0,0,0|0,0,1]=3 137 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.4 CC(C)NCC#N 8d9c5f2bbdfd2e60c34ddc5972663be0 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [1,1,0,0,0,0|1,0,1]=4 141 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [1,1,0,0,0,0|1,0,1]=4 142 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,1,0,0,0,0|0,0,1]=3 143 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,1,0,0,0,0|0,1,1]=4 144 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,1,0,0,0,0|0,0,0]=2 146 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [1,1,0,0,0,0|1,0,1]=4 147 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,1,0,0,0,0|0,1,1]=4 148 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,1,0,0,0,0|1,0,0]=3 149 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,1,0,0,0,0|1,0,1]=4 150 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|1,0,0]=3 151 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|1,0,0]=3 154 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|0,0,0]=2 156 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|1,0,1]=4 157 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,1,0,0,0,0|1,0,0]=3 161 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,1,0,0,0,0|1,0,0]=3 162 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|0,0,0]=2 163 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,1,0,0,0,0|1,1,0]=4 164 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|1,0,1]=4 165 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,1,0,0,0,0|1,0,1]=4 167 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,1,0,0,0,0|1,0,1]=4 170 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,1,0,0,0,0|2,0,0]=4 174 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,1,0,0,0,0|2,0,0]=4 175 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,1,0,0,0,0|2,0,0]=4 176 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,1,0,0,0,0|1,0,0]=3 177 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.4 O=CNCC(F)F b205fb0d823ccdf5423d257101ba187a [1,1,0,0,0,0|2,0,0]=4 180 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.5 CC(C)(C)NC=O fd731f01e449e88bdf1e84dfcee6c8d2 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [1,1,0,0,0,0|1,0,1]=4 183 B8R0.9 C#CC(=O)NCC(C)C 1b59405d1466ebf3ed688b4fa128ca83 [0,1,0,0,0,1|1,0,0]=3 184 B8R0.9 C#CC(=O)NCC(C)O d06b1fbbe3bccdb17bbcfe3d455fa3bd [0,1,0,0,0,1|2,0,0]=4 185 B8R0.9 C#CC(=O)NC[C@@H](C)O 10b3294b5638bea9282cda41b0b922a3 [0,1,0,0,0,1|2,0,0]=4 186 B8R0.9 C#CC(=O)NC[C@H](C)O 8c9f626c9458795b5c2c126773a4669e [0,1,0,0,0,1|2,0,0]=4 187 B8R0.9 C#CC(C)NCC(=O)C 2ad4abc709ed22d0c1fc1e2c701880d0 [0,1,0,0,0,1|1,0,1]=4 188 B8R0.9 C#CC(C)NCC(=O)N 32d3ca8a304fcc6b77ac118eb613c4d0 [0,1,0,0,0,1|1,0,1]=4 189 B8R0.9 C#CC(C)NCC(=O)O 6d3e097d7e417cba1ca3cc5354bf3682 [0,1,0,0,0,1|0,0,1]=3 190 B8R0.9 C#CC(C)OCC(=O)C 882d251e5156962e635e367fb9e2389a [0,1,0,0,0,1|1,0,1]=4 191 B8R0.9 C#CC(C)OCC(=O)N 6651eb1a1e92c823417176ec5e477313 [0,1,0,0,0,1|1,0,1]=4 192 B8R0.9 C#CC(C)OCC(=O)O 86945981ae8eaaa778f83ec3ae4ff391 [0,1,0,0,0,1|0,0,1]=3 193 B8R0.9 C#CC(C)OCS(=O)O d1e6a1bc456adb5be98946540c51cc60 [0,1,0,0,0,1|1,0,1]=4 194 B8R0.9 C#C[C@@H](C)NCC(=O)N ae23c8b7683fb792d58192169f61f02d [0,1,0,0,0,1|1,0,1]=4 195 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,1,0,0,0,1|0,0,1]=3 196 B8R0.9 C#C[C@@H](C)OCC(=O)N c25236b627e20c497b67314d1c7aadee [0,1,0,0,0,1|1,0,1]=4 197 B8R0.9 C#C[C@@H](C)OCC(=O)O 9bbfddfb8eea4f6aea8d08313b189ed8 [0,1,0,0,0,1|0,0,1]=3 198 B8R0.9 C#C[C@H](C)NCC(=O)N 79963d7d1eb88702311e6f8108ddfc3d [0,1,0,0,0,1|1,0,1]=4 199 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,1,0,0,0,1|0,0,1]=3 200 B8R0.9 C#C[C@H](C)OCC(=O)N d36d678d56ba5311696ce65072d8c107 [0,1,0,0,0,1|1,0,1]=4 201 B8R0.9 C#C[C@H](C)OCC(=O)O 33b89dc76124892fb33f6382d6c567d7 [0,1,0,0,0,1|0,0,1]=3 202 B8R0.9 C/C(=C\I)/COC(C)C f716be383319fbdddc5fe6a0c6ba24d8 [0,1,0,0,0,1|2,0,0]=4 203 B8R0.9 C=C(Br)CNC(C)CC e82847dcad9ed2bd533fd2563c3b519d [0,1,0,0,0,1|2,0,0]=4 204 B8R0.9 C=C(Br)CNC(C)CO a9395843621306550785050d7c834975 [0,1,0,0,0,1|2,0,0]=4 205 B8R0.9 C=C(Br)CN[C@@H](C)CC 37f7a7e42f3e467987064f3f419e144d [0,1,0,0,0,1|2,0,0]=4 206 B8R0.9 C=C(Br)CN[C@@H](C)CO a9a538986d98a9e55f3f998c54cc247b [0,1,0,0,0,1|2,0,0]=4 207 B8R0.9 C=C(Br)CN[C@H](C)CC 1b5c6508d8f52572aaaac189914383ff [0,1,0,0,0,1|2,0,0]=4 208 B8R0.9 C=C(Br)CN[C@H](C)CO 7d1e722c71de1993138febf0f8977869 [0,1,0,0,0,1|2,0,0]=4 209 B8R0.9 C=C(Br)COC(C)CC 49feeff7986d6ae4fb296a8afe6d8ffc [0,1,0,0,0,1|2,0,0]=4 210 B8R0.9 C=C(Br)COC(C)CF 76719ac36e465c1f9f038a14b92bba73 [0,1,0,0,0,1|2,0,0]=4 211 B8R0.9 C=C(Br)COC(C)CS c64954e10279732b62f99e9cef7fc533 [0,1,0,0,0,1|2,0,0]=4 212 B8R0.9 C=C(Br)CO[C@@H](C)CC 868ef2581d68bb1b094a2fa1f8b58132 [0,1,0,0,0,1|2,0,0]=4 213 B8R0.9 C=C(Br)CO[C@H](C)CC 896e023f3f172d1a0521ca41c722cbcb [0,1,0,0,0,1|2,0,0]=4 214 B8R0.9 C=C(Br)CO[C@H](C)CS aa3dd9d11093d11d56d549f38593c281 [0,1,0,0,0,1|2,0,0]=4 215 B8R0.9 C=C(C#N)COC(C)C b53cc7b1d89c4d427c964004781725e0 [0,1,0,0,0,1|2,0,0]=4 216 B8R0.9 C=C(C)CNC(=O)CO ea98526bca8d7363ad41fae75f4ac9a5 [0,1,0,0,0,1|0,0,2]=4 217 B8R0.9 C=C(C)CNC(C)CC 256f62cec490bafed043741999c25df4 [0,1,0,0,0,1|2,0,0]=4 218 B8R0.9 C=C(C)CNC(C)CO 5159a8bb82cabf2648e9cdde51d9f87d [0,1,0,0,0,1|2,0,0]=4 219 B8R0.9 C=C(C)CN[C@@H](C)CC d26c3d64a9f189169a5866d4e2b497b9 [0,1,0,0,0,1|2,0,0]=4 220 B8R0.9 C=C(C)CN[C@@H](C)CO f4d1778cd45c27cf148f0822304507c8 [0,1,0,0,0,1|2,0,0]=4 221 B8R0.9 C=C(C)CN[C@H](C)CC 63a0b508416fa3ab231e5f743622aa6e [0,1,0,0,0,1|2,0,0]=4 222 B8R0.9 C=C(C)CN[C@H](C)CO f1c10bccf9821522bb3892f2794d0864 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.9 C=C(C)COC(C)CC 4482bd721211f848f89897698cdef93d [0,1,0,0,0,1|2,0,0]=4 224 B8R0.9 C=C(C)COC(C)CF ba015a797381b5c516846336cd7396a7 [0,1,0,0,0,1|2,0,0]=4 225 B8R0.9 C=C(C)COC(C)CS b01434085727d0e876ca2f7f806d8f57 [0,1,0,0,0,1|2,0,0]=4 226 B8R0.9 C=C(C)CO[C@@H](C)CC 1f8fa1d6bc957d679b02c8c39dd68048 [0,1,0,0,0,1|2,0,0]=4 227 B8R0.9 C=C(C)CO[C@H](C)CC 4903f87f8690f044163b36d5c736143f [0,1,0,0,0,1|2,0,0]=4 228 B8R0.9 C=C(C)CO[C@H](C)CS ddea732e335cb41581925717666dd076 [0,1,0,0,0,1|2,0,0]=4 229 B8R0.9 C=C(C=O)OCC(C)C c5cdf695798fe36105735778dae3c7a0 [0,1,0,0,0,1|1,0,0]=3 230 B8R0.9 C=C(C=O)OCN(C)C 8f1b31b2204f757194c668fd22936588 [0,1,0,0,0,1|2,0,0]=4 231 B8R0.9 C=C(CC)COC(C)C 158b3c8f8440057d90f95fd6ad44dfdf [0,1,0,0,0,1|2,0,0]=4 232 B8R0.9 C=C(COC(C)C)OC 96f850636a0fcded9cc7f40aac2f05a4 [0,1,0,0,0,1|1,0,0]=3 233 B8R0.9 C=C(Cl)CNC(C)CC 076dd5595da9764c1f8638621b66326f [0,1,0,0,0,1|2,0,0]=4 234 B8R0.9 C=C(Cl)CNC(C)CO 2dc80d01902a7d5e8dafab7a9437a51b [0,1,0,0,0,1|2,0,0]=4 235 B8R0.9 C=C(Cl)CN[C@@H](C)CC 6844b9915d30cf390d84dd923074ff78 [0,1,0,0,0,1|2,0,0]=4 236 B8R0.9 C=C(Cl)CN[C@@H](C)CO f36a795b66d6bf78b67e64f966438328 [0,1,0,0,0,1|2,0,0]=4 237 B8R0.9 C=C(Cl)CN[C@H](C)CC 00f99e20e2c66def762893e8ac89e470 [0,1,0,0,0,1|2,0,0]=4 238 B8R0.9 C=C(Cl)CN[C@H](C)CO f8ab1a19cf270f4d27a5391240b16b7f [0,1,0,0,0,1|2,0,0]=4 239 B8R0.9 C=C(Cl)COC(C)CC 683db6dee4558a7fd0cf1ddd08de7466 [0,1,0,0,0,1|2,0,0]=4 240 B8R0.9 C=C(Cl)COC(C)CF 28ee613950c3e99b06c6d0c2267d0156 [0,1,0,0,0,1|2,0,0]=4 241 B8R0.9 C=C(Cl)COC(C)CS b1c25e35a49465adaafb251b6dea29ee [0,1,0,0,0,1|2,0,0]=4 242 B8R0.9 C=C(Cl)CO[C@@H](C)CC f1b2ffe2d8a3606ba8db6452fbde499c [0,1,0,0,0,1|2,0,0]=4 243 B8R0.9 C=C(Cl)CO[C@H](C)CC e33ef1408b617f755d53e1b85c1dd1a5 [0,1,0,0,0,1|2,0,0]=4 244 B8R0.9 C=C(Cl)CO[C@H](C)CS 07912e4cc4f9809896d80327b9629e45 [0,1,0,0,0,1|2,0,0]=4 245 B8R0.9 C=C(F)CNC(C)CO 526836e1f2860b0f9f9375a2daf92e9c [0,1,0,0,0,1|2,0,0]=4 246 B8R0.9 C=C(F)CN[C@@H](C)CO 6fc2183cd10b292910560f06e58fef39 [0,1,0,0,0,1|2,0,0]=4 247 B8R0.9 C=C(F)CN[C@H](C)CO 6f97a60c010f3bc80a761604a71ba20d [0,1,0,0,0,1|2,0,0]=4 248 B8R0.9 C=C(I)COC(C)CC 1c02165e4082ec06ba2c7744789ae92c [0,1,0,0,0,1|2,0,0]=4 249 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,1,0,0,0,1|1,0,0]=3 250 B8R0.9 C=CC(=O)NCC(C)O fa01455d59425b08f532ebd991dbb1af [0,1,0,0,0,1|2,0,0]=4 251 B8R0.9 C=CC(=O)NC[C@@H](C)O 60f11a39a2f100903af1f56f3c922ad0 [0,1,0,0,0,1|2,0,0]=4 252 B8R0.9 C=CC(=O)NC[C@H](C)O c21baab8154cbdc7ba440bfa062d6fdc [0,1,0,0,0,1|2,0,0]=4 253 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,1,0,0,0,1|1,0,1]=4 254 B8R0.9 C=CC(C)NCC(=O)N 8e99b62ce7b0cacfac123da3e0d44453 [0,1,0,0,0,1|1,0,1]=4 255 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,1,0,0,0,1|0,0,1]=3 256 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,1,0,0,0,1|1,0,1]=4 257 B8R0.9 C=CC(C)OCC(=O)N 0d06a7ddf76614144a3227f608d154b8 [0,1,0,0,0,1|1,0,1]=4 258 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,1,0,0,0,1|0,0,1]=3 259 B8R0.9 C=CC(C)OCS(=O)O 12c96805dce8caf3e1fcf3a0ad025e66 [0,1,0,0,0,1|1,0,1]=4 260 B8R0.9 C=CC(O)CNC(C)C 254002c1439ccf47813784fa50338918 [0,1,0,0,0,1|1,0,1]=4 261 B8R0.9 C=C[C@H](C)OCC(=O)N ba49805e8ed0d5d0e00a52526e184ffd [0,1,0,0,0,1|1,0,1]=4 262 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,1,0,0,0,1|0,0,1]=3 263 B8R0.9 CC(=CI)COC(C)C 3ff8a12ae361c0854728a2bce17c2863 [0,1,0,0,0,1|2,0,0]=4 264 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,1,0,0,0,1|1,0,1]=4 265 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,1,0,0,0,1|1,0,1]=4 266 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,1,0,0,0,1|1,0,0]=3 267 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,1,0,0,0,1|1,0,0]=3 268 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,1,0,0,0,1|1,0,1]=4 269 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,1,0,0,0,1|1,0,0]=3 270 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,1,0,0,0,1|1,0,1]=4 271 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,1,0,0,0,1|1,0,1]=4 272 B8R0.9 CC(=O)NCC(=O)NO 859b03f5192e57ca509f1bfda110b8fd [0,1,0,0,0,1|1,0,1]=4 273 B8R0.9 CC(=O)NCC(Br)CBr 026233203db163de359d5c31f32507c5 [0,1,0,0,0,1|2,0,0]=4 274 B8R0.9 CC(=O)NCC(C)C#N 70b6e41d7a36e25b863c12e3e2ab9f7c [0,1,0,0,0,1|1,0,1]=4 275 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,1,0,0,0,1|1,0,0]=3 276 B8R0.9 CC(=O)NCC(F)CO b8843bcee854bfdd401231e90b011422 [0,1,0,0,0,1|2,0,0]=4 277 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,1,0,0,0,1|2,0,0]=4 278 B8R0.9 CC(=O)NC[C@@H](F)CO 964c0a882da1253a8b823c85e90b43d9 [0,1,0,0,0,1|2,0,0]=4 279 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,1,0,0,0,1|2,0,0]=4 280 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,1,0,0,0,1|1,0,0]=3 281 B8R0.9 CC(=O)NC[C@H](F)CO 938a8d1e230afccbf699e7334f08d345 [0,1,0,0,0,1|2,0,0]=4 282 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,1,0,0,0,1|2,0,0]=4 283 B8R0.9 CC(C#N)NCC(=O)N d29bd277beb2ae89e361147ba0b29db1 [0,1,0,0,0,1|1,0,1]=4 284 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,1,0,0,0,1|0,0,1]=3 285 B8R0.9 CC(C#N)OCS(=O)O 406c753176235576bb71e11c0904b6bc [0,1,0,0,0,1|1,0,1]=4 286 B8R0.9 CC(C)CCN(C)C=O 516a2a022cb88171d447755eeb173861 [0,1,0,0,0,1|2,0,0]=4 287 B8R0.9 CC(C)CCN(C)CO f141a62767fa31ad71a19f797e7ee8f2 [0,1,0,0,0,1|2,0,0]=4 288 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,1,0,0,0,1|0,0,1]=3 289 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,1,0,0,0,1|1,0,0]=3 290 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,1,0,0,0,1|0,0,0]=2 291 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,1,0,0,0,1|0,1,0]=3 292 B8R0.9 CC(C)CNC(C)C=O 03449348422393b4e0bdd254036a8d58 [0,1,0,0,0,1|1,0,1]=4 293 B8R0.9 CC(C)CNC(C)CO aeb39a69125a8116b2d666aabffee368 [0,1,0,0,0,1|1,0,1]=4 294 B8R0.9 CC(C)CN[C@@H](C)CO a48e86d82c35fbf8dc46c7829eb1eaf7 [0,1,0,0,0,1|1,0,1]=4 295 B8R0.9 CC(C)CN[C@H](C)C=O 7c782c131d4d366690f182c8ead9a413 [0,1,0,0,0,1|1,0,1]=4 296 B8R0.9 CC(C)CN[C@H](C)CO de58f1f480131f7b21c40f2c3fccea42 [0,1,0,0,0,1|1,0,1]=4 297 B8R0.9 CC(C)COC(C)C=O 0b8c6cf115c2322fa1674f79e1d3c4dd [0,1,0,0,0,1|1,0,1]=4 298 B8R0.9 CC(C)CO[C@H](C)C=O 5c45a366049badd5e36b154ae522c338 [0,1,0,0,0,1|1,0,1]=4 299 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,1,0,0,0,1|0,0,0]=2 300 B8R0.9 CC(C)NCC(F)CO 57945639b2aa5eadc3925f215efa7d75 [0,1,0,0,0,1|1,0,1]=4 301 B8R0.9 CC(C)NCC(O)CO c4c4b95ef9e7e99b58507370307de3cd [0,1,0,0,0,1|0,0,2]=4 302 B8R0.9 CC(C)NC[C@@H](F)CO f5fc97f4a19a821fbb0f5991a2377115 [0,1,0,0,0,1|1,0,1]=4 303 B8R0.9 CC(C)NC[C@@H](O)CO 4ed7ffd88ee5a4ec2e5ace2cbcdac84e [0,1,0,0,0,1|0,0,2]=4 304 B8R0.9 CC(C)NC[C@H](C)CO e9adf2a77c54dea0e47e774e7144a50c [0,1,0,0,0,1|1,0,1]=4 305 B8R0.9 CC(C)NC[C@H](F)CO 80e5cd77bb3f635b441bec4926980c30 [0,1,0,0,0,1|1,0,1]=4 306 B8R0.9 CC(C)NC[C@H](O)CO a6cbe2fe699ae5eae98d67fbc9aac7de [0,1,0,0,0,1|0,0,2]=4 307 B8R0.9 CC(C)OC/C(=C/Cl)/Cl 517384b2245fa09e14e9ca494cc154a8 [0,1,0,0,0,1|2,0,0]=4 308 B8R0.9 CC(C)OCC(O)CO 0e89e061c2e4cf11ff7262059210fdde [0,1,0,0,0,1|0,0,2]=4 309 B8R0.9 CC(C)OC[C@@H](O)CO 3849c2737d80ec90a6ea6c8da3ef06fb [0,1,0,0,0,1|0,0,2]=4 310 B8R0.9 CC(C)OC[C@H](O)CO 24bdf2b3dd73700f7d482e7b53b23924 [0,1,0,0,0,1|0,0,2]=4 311 B8R0.9 CC(C=O)NCC(=O)N 8e22627cfffb50e4ce2f26bd34026793 [0,1,0,0,0,1|1,0,1]=4 312 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,1,0,0,0,1|0,0,1]=3 313 B8R0.9 CC(C=O)OCC(=O)N e8fdf3bf6f6dfcc63a5ed65bb70bb389 [0,1,0,0,0,1|1,0,1]=4 314 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,1,0,0,0,1|0,0,1]=3 315 B8R0.9 CC(C=O)OCS(=O)O 9f51c4b3c988e5d0280d7682a1bfd66e [0,1,0,0,0,1|1,0,1]=4 316 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,1,0,0,0,1|1,0,0]=3 317 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,1,0,0,0,1|0,0,0]=2 318 B8R0.9 CC(CF)OC[N+](=O)[O-] 4a6af2c1f13b65251d8b949275a6b1de [0,1,0,0,0,1|1,0,1]=4 319 B8R0.9 CC(CO)CNC(C)C 8a23f9be65dcc9a39c28dfdb6031b0d4 [0,1,0,0,0,1|1,0,1]=4 320 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,1,0,0,0,1|1,0,0]=3 321 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,1,0,0,0,1|0,0,0]=2 322 B8R0.9 CC(CO)NC[C@@H](C)O b3b457ca8971b770f5960d70ecaa3b4d [0,1,0,0,0,1|1,0,1]=4 323 B8R0.9 CC(CO)NC[C@H](C)O 4b77979cdca58e53e46d0a0730b80eb6 [0,1,0,0,0,1|1,0,1]=4 324 B8R0.9 CC(CO)NC[N+](=O)[O-] c8cef2932297a128bb58d0293856a208 [0,1,0,0,0,1|1,0,1]=4 325 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,1,0,0,0,1|1,0,0]=3 326 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,1,0,0,0,1|0,0,0]=2 327 B8R0.9 CC(CS)OC[N+](=O)[O-] 11c3904c8647864dccf53d192e938581 [0,1,0,0,0,1|1,0,1]=4 328 B8R0.9 CC(O)CNC(=O)C=O a19c80ebbd3c5b0340f36c5c68b9e508 [0,1,0,0,0,1|1,0,1]=4 329 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,1,0,0,0,1|2,0,0]=4 330 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,1,0,0,0,1|1,0,0]=3 331 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,1,0,0,0,1|1,1,0]=4 332 B8R0.9 CC(O)CNC(C)CO a1b9fd4e4c8e5407d8f4c38ea7432000 [0,1,0,0,0,1|1,0,1]=4 333 B8R0.9 CC(O)CN[C@@H](C)CO fa8ddd2915181b209ca8cd0f4cac931d [0,1,0,0,0,1|1,0,1]=4 334 B8R0.9 CC(O)CN[C@H](C)CO 0a4874882b4a2730c218e76ea399d233 [0,1,0,0,0,1|1,0,1]=4 335 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,1,0,0,0,1|1,0,0]=3 336 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,1,0,0,0,1|1,0,0]=3 337 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,1,0,0,0,1|2,0,0]=4 338 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,1,0,0,0,1|2,0,0]=4 339 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,1,0,0,0,1|2,0,0]=4 340 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,1,0,0,0,1|1,0,0]=3 341 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,1,0,0,0,1|1,0,0]=3 342 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,1,0,0,0,1|1,0,0]=3 343 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,0,0,0,1|0,0,0]=2 344 B8R0.9 CCC(C)NCC(C)O 04be39588a5f09c70c74f1ca60cd63ac [0,1,0,0,0,1|1,0,1]=4 345 B8R0.9 CCC(C)NC[C@@H](C)O 6e798d5c3d31a8f8773bcdb1d14bb58f [0,1,0,0,0,1|1,0,1]=4 346 B8R0.9 CCC(C)NC[C@H](C)O b6ed82170374565ef8a62802ade9580c [0,1,0,0,0,1|1,0,1]=4 347 B8R0.9 CCC(C)NC[N+](=O)[O-] e9f660b74a6c0107f128f338922566a2 [0,1,0,0,0,1|1,0,1]=4 348 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,1,0,0,0,1|1,0,0]=3 349 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,1,0,0,0,1|1,0,0]=3 350 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,0,0,0,1|0,0,0]=2 351 B8R0.9 CCC(C)OCC(=S)N 6b597837cee3e8ac97ffdee12a28c691 [0,1,0,0,0,1|1,1,0]=4 352 B8R0.9 CCC(C)OCS(=O)O 218f2e14527146233901e95c42e5bea0 [0,1,0,0,0,1|1,0,0]=3 353 B8R0.9 CCC(C)OC[N+](=O)[O-] ce29daa7a1531741c15d172651ff45bc [0,1,0,0,0,1|1,0,1]=4 354 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,1,0,0,0,1|2,0,0]=4 355 B8R0.9 CCC(O)CNC(C)C 71d0e78d5d3d6ddfb7afb7fb5ab010cd [0,1,0,0,0,1|1,0,1]=4 356 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,1,0,0,0,1|2,0,0]=4 357 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,1,0,0,0,1|2,0,0]=4 358 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,0,0,0,1|1,0,0]=3 359 B8R0.9 CCN(C)COC(=O)C 662418b9fd851b02bfa0c21ae20e504d [0,1,0,0,0,1|2,0,0]=4 360 B8R0.9 CCN(C)CSC(=O)N adc277bb406ecaf954503ab4cdfcb5b9 [0,1,0,0,0,1|2,0,0]=4 361 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,1,0,0,0,1|1,0,0]=3 362 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,0,0,0,1|0,0,0]=2 363 B8R0.9 CC[C@@H](C)NCC(C)O 2677141b66bad4e2c96cd57b714806ea [0,1,0,0,0,1|1,0,1]=4 364 B8R0.9 CC[C@@H](C)NC[C@@H](C)O 259bc8325537e1de1a944df75fdf21f1 [0,1,0,0,0,1|1,0,1]=4 365 B8R0.9 CC[C@@H](C)NC[C@H](C)O 939311d357bc0680fabba2ce4e70d859 [0,1,0,0,0,1|1,0,1]=4 366 B8R0.9 CC[C@@H](C)NC[N+](=O)[O-] 196855ed8a578e4d6ce39740ba6a0275 [0,1,0,0,0,1|1,0,1]=4 367 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,1,0,0,0,1|1,0,0]=3 368 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,0,0,0,1|0,0,0]=2 369 B8R0.9 CC[C@@H](C)OC[N+](=O)[O-] 3415ab0ca8c4567cbd4a2ab0de4e9f06 [0,1,0,0,0,1|1,0,1]=4 370 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,1,0,0,0,1|2,0,0]=4 371 B8R0.9 CC[C@@H](O)CNC(C)C 0b13dd23b5427cc29a52929b73be7d43 [0,1,0,0,0,1|1,0,1]=4 372 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,1,0,0,0,1|1,0,0]=3 373 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,1,0,0,0,1|1,0,0]=3 374 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,0,0,0,1|0,0,0]=2 375 B8R0.9 CC[C@H](C)NCC(C)O 99099c99fd14ec2545d713f92de4a778 [0,1,0,0,0,1|1,0,1]=4 376 B8R0.9 CC[C@H](C)NC[C@@H](C)O 12a96eae09dd452a73c94b544346a630 [0,1,0,0,0,1|1,0,1]=4 377 B8R0.9 CC[C@H](C)NC[C@H](C)O 4c33e4d27654f70efbcc25d8010eeae9 [0,1,0,0,0,1|1,0,1]=4 378 B8R0.9 CC[C@H](C)NC[N+](=O)[O-] 235d75636034ba6aeae1eb82d8162dd7 [0,1,0,0,0,1|1,0,1]=4 379 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,1,0,0,0,1|1,0,0]=3 380 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,0,0,0,1|0,0,0]=2 381 B8R0.9 CC[C@H](C)OC[N+](=O)[O-] 877aace2ab2b46fdfe559ad10cf92335 [0,1,0,0,0,1|1,0,1]=4 382 B8R0.9 CN(CF)CCC(=O)N 6d094d2271b3869e64c635a327791e7d [0,1,0,0,0,1|2,0,0]=4 383 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,1,0,0,0,1|1,0,0]=3 384 B8R0.9 CN(CO)CCC(=O)N e23409c848954f75cfbaa958caecdeb6 [0,1,0,0,0,1|2,0,0]=4 385 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,1,0,0,0,1|1,0,0]=3 386 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,1,0,0,0,1|1,0,0]=3 387 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,1,0,0,0,1|1,0,0]=3 388 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,1,0,0,0,1|1,0,1]=4 389 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,1,0,0,0,1|0,0,0]=2 390 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,1,0,0,0,1|0,0,0]=2 391 B8R0.9 COC(C)COC(C)C e0f36ed0d37cc72967fbcb31b176fbbc [0,1,0,0,0,1|1,0,1]=4 392 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,1,0,0,0,1|1,0,0]=3 393 B8R0.9 CO[C@@H](C)CNC(C)C eecabc1ac3a4e8ac38a6083cfc2aa6d9 [0,1,0,0,0,1|1,0,1]=4 394 B8R0.9 CO[C@@H](C)COC(C)C e5a767f401763c27f1a4b5f4477a554e [0,1,0,0,0,1|1,0,1]=4 395 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,1,0,0,0,1|1,0,0]=3 396 B8R0.9 CO[C@H](C)CNC(C)C d8682f4f6865fec3b1570e72c54ecebc [0,1,0,0,0,1|1,0,1]=4 397 B8R0.9 CO[C@H](C)COC(C)C c1851bedfec20c17d08aaba18efdab41 [0,1,0,0,0,1|1,0,1]=4 398 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,1,0,0,0,1|1,0,0]=3 399 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,1,0,0,0,1|0,0,0]=2 400 B8R0.9 C[C@@H](CO)NC[N+](=O)[O-] 3480edc0ee7db13a1161878bc1afe8a5 [0,1,0,0,0,1|1,0,1]=4 401 B8R0.9 C[C@@H](O)CNC(=O)C=O 2603ee2d0f069eae7661384f7ee697eb [0,1,0,0,0,1|1,0,1]=4 402 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,1,0,0,0,1|2,0,0]=4 403 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,1,0,0,0,1|1,0,0]=3 404 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,1,0,0,0,1|1,1,0]=4 405 B8R0.9 C[C@@H](O)CN[C@@H](C)CO 3ae1deb582924f94cf5f62861ba15598 [0,1,0,0,0,1|1,0,1]=4 406 B8R0.9 C[C@H](C=O)NCC(=O)N ef543a8173a46829d7a3deea97b641bf [0,1,0,0,0,1|1,0,1]=4 407 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,1,0,0,0,1|0,0,1]=3 408 B8R0.9 C[C@H](C=O)OCC(=O)N 0891ae8d42b8c64aeeb2a884817c9c4b [0,1,0,0,0,1|1,0,1]=4 409 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,1,0,0,0,1|0,0,1]=3 410 B8R0.9 C[C@H](C=O)OCS(=O)O 8401cc1464dfb196cf10debf69a3f25d [0,1,0,0,0,1|1,0,1]=4 411 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,1,0,0,0,1|1,0,0]=3 412 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,1,0,0,0,1|0,0,0]=2 413 B8R0.9 C[C@H](CO)NC[C@@H](C)O 0c791e5e7d94d2a38d5f859dad7628f0 [0,1,0,0,0,1|1,0,1]=4 414 B8R0.9 C[C@H](CO)NC[N+](=O)[O-] 765df81bbf0a0b13e5d5d509e2eb070f [0,1,0,0,0,1|1,0,1]=4 415 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,1,0,0,0,1|1,0,0]=3 416 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,1,0,0,0,1|0,0,0]=2 417 B8R0.9 C[C@H](CS)OC[N+](=O)[O-] 9944617e0e706dcd95690ed996f66ada [0,1,0,0,0,1|1,0,1]=4 418 B8R0.9 C[C@H](O)CNC(=O)C=O 93688556993d21a2fc23a4f3acf54052 [0,1,0,0,0,1|1,0,1]=4 419 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,1,0,0,0,1|2,0,0]=4 420 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,1,0,0,0,1|1,0,0]=3 421 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,1,0,0,0,1|1,1,0]=4 422 B8R0.9 C[C@H](O)CN[C@@H](C)CO ccedc2ee6039e5ae689a515db1821b9d [0,1,0,0,0,1|1,0,1]=4 423 B8R0.9 C[C@H](O)CN[C@H](C)CO 16e70066eda8e6ba0018098e6ed94053 [0,1,0,0,0,1|1,0,1]=4 424 B8R0.9 O=C(CO)NCC(F)F 7faddb9a1bd570be447e69247bbc7e41 [0,1,0,0,0,1|2,0,0]=4 425 B8R0.23 C=C(Br)CN(C)C(C)C 3f7e31a92c12d20ec7a273e7b73ed655 [0,1,0,0,0,1|2,0,0]=4 426 B8R0.23 C=C(C)CN(C)C(C)C 5ce3bf8335906065652aa3e2b299f4f5 [0,1,0,0,0,1|2,0,0]=4 427 B8R0.23 C=C(Cl)CN(C)C(C)C 500d730e6e828a70fc3011a810f7905a [0,1,0,0,0,1|2,0,0]=4 428 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,0,0,0,1|1,0,0]=3 429 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,1,0,0,0,1|1,0,0]=3 430 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,1,0,0,0,1|2,0,0]=4 431 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,1,0,0,0,1|2,0,0]=4 432 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,1,0,0,0,1|1,0,0]=3 433 B8R0.23 CC(=O)NC(C)C(C)O 82d78b22fd9c1b1cb9a6f73c5b23c29f [0,1,0,0,0,1|2,0,0]=4 434 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,1,0,0,0,1|1,0,0]=3 435 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,1,0,0,0,1|1,0,0]=3 436 B8R0.23 CC(C)N(C)CC(=O)N 40fedc251db3e73f4c6c403ff754fd20 [0,1,0,0,0,1|1,0,0]=3 437 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,1,0,0,0,1|0,0,0]=2 438 B8R0.23 CC(C)N(C)C[C@@H](C)O edda2e38f0c2b068751a472716b6316d [0,1,0,0,0,1|1,0,1]=4 439 B8R0.23 CC(C)N(C)C[C@H](C)O 6c78ca3105da9d74005d52bf31383b62 [0,1,0,0,0,1|1,0,1]=4 440 B8R0.23 CC(C)N(C)C[N+](=O)[O-] ab389b01c728eaf6b35cdad1e0c3f6cf [0,1,0,0,0,1|1,0,1]=4 441 B8R0.23 CC(C)NC(C)C(=O)N a5bc7ca7b26f70e25af65a6a1a9f3a6a [0,1,0,0,0,1|1,0,0]=3 442 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,0,0,0,1|0,0,0]=2 443 B8R0.23 CC(C)NC(C)C(C)O 01387dcbac0883ebe4aacdad9c9a44bc [0,1,0,0,0,1|1,0,1]=4 444 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,0,0,0,1|0,0,0]=2 445 B8R0.23 CC(C)N[C@@H](C)C(=O)N 5f6838b5769e3be13957b346a9b1c5a9 [0,1,0,0,0,1|1,0,0]=3 446 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,0,0,0,1|0,0,0]=2 447 B8R0.23 CC(C)N[C@H](C)C(=O)N 218299f571bd8ab6e55ebde7f90f3dc6 [0,1,0,0,0,1|1,0,0]=3 448 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,0,0,0,1|0,0,0]=2 449 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,1,0,0,0,1|1,0,0]=3 450 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,0,0,0,1|0,0,0]=2 451 B8R0.23 CC(C)OC(F)C(=O)N 4e500a655b0251a68623c9a9bac567cd [0,1,0,0,0,1|1,0,0]=3 452 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,1,0,0,0,1|1,0,0]=3 453 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,0,0,0,1|0,0,0]=2 454 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,1,0,0,0,1|1,0,0]=3 455 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,0,0,0,1|0,0,0]=2 456 B8R0.23 CC(O)CN(C)C(C)C 95a92a6cab6529312851036d37141b0c [0,1,0,0,0,1|1,0,1]=4 457 B8R0.29 C=C(Br)CNC(C)(C)C 03c10b3b58c624a095332e2c0a28dab7 [0,1,0,0,0,1|2,0,0]=4 458 B8R0.29 C=C(C)CNC(C)(C)C b99c45fd81c788cbba88aea38bfb17b6 [0,1,0,0,0,1|2,0,0]=4 459 B8R0.29 C=C(Cl)CNC(C)(C)C 79f451f7f17b60776015f1652534006a [0,1,0,0,0,1|2,0,0]=4 460 B8R0.29 C=C(F)CNC(C)(C)C e89e00913946554fd584c510ed9b1431 [0,1,0,0,0,1|2,0,0]=4 461 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,1,0,0,0,1|1,0,0]=3 462 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,1,0,0,0,1|1,0,0]=3 463 B8R0.29 CC(=O)NCC(C)(F)F 85b59edaed57293b7ea10c77927ba201 [0,1,0,0,0,1|2,0,0]=4 464 B8R0.29 CC(C)(C)NCC(=O)N bc7ea50a25eec83821fcbddcdcab7596 [0,1,0,0,0,1|1,0,0]=3 465 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,1,0,0,0,1|0,0,0]=2 466 B8R0.29 CC(C)(C)NC[N+](=O)[O-] 3c68d5f0f0b4ba1cc4df74dbe2c425ba [0,1,0,0,0,1|1,0,1]=4 467 B8R0.29 CC(C)NCC(C)(C)O 7a7942e84ffbedf19eb1ab4b895c6932 [0,1,0,0,0,1|1,0,1]=4 468 B8R0.29 CC(C)NCS(=O)(=O)O 8264390a638eb5c172e1c9c505e3993b [0,1,0,0,0,1|1,0,0]=3 469 B8R0.29 CC(C)OCC(C)(C)O 763475607800e74d3dd49839c449f82e [0,1,0,0,0,1|1,0,1]=4 470 B8R0.29 CC(C)OCS(=O)(=O)C ff439a519afb291693179cbb76e98ea7 [0,1,0,0,0,1|1,0,1]=4 471 B8R0.29 CC(O)CNC(C)(C)C 7b076be22d95a3dbb6fea7a2a6a579cf [0,1,0,0,0,1|1,0,1]=4 472 B8R0.29 C[C@@H](O)CNC(C)(C)C 3acb7b24b939b8a39fd8f4e2037cb442 [0,1,0,0,0,1|1,0,1]=4 473 B8R0.29 C[C@H](O)CNC(C)(C)C 21c328d304469a321a804a1dc49edcf2 [0,1,0,0,0,1|1,0,1]=4 474 B8R0.2 C#CC(=O)N(C)C(C)C ae02fede7dc7d0b3e66f5e12e6474f44 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.2 C=CC(=O)N(C)C(C)C d4214d2e7c39dcf84b3e0ccce4689c6e [0,2,0,0,0,0|2,0,0]=4 476 B8R0.2 CC(=O)N(C)C(C)CO 954909c32608c887b20279d0f2f3780c [0,2,0,0,0,0|2,0,0]=4 477 B8R0.2 CC(=O)N(C)[C@@H](C)CO 225dc8a4ffcea4cd61a90a38a4080118 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.2 CC(=O)N(C)[C@H](C)CO de33b62e9836c68164793809e4e8e5b1 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.2 CC(C(=O)N)N(C)CF 3c3f87bed206a80640b27644de62b85a [0,2,0,0,0,0|2,0,0]=4 480 B8R0.2 CC(C(=O)N)N(C)CO ae4ba5bba1f3ebfc5e18a030b582da9e [0,2,0,0,0,0|2,0,0]=4 481 B8R0.2 CC(C(=O)O)N(C)CF a3094bf427f297ebd8902941068ac9f2 [0,2,0,0,0,0|1,0,0]=3 482 B8R0.2 CC(C(=O)O)N(C)CO b0a7b81e88a446de30ff43a7aa3ff0e5 [0,2,0,0,0,0|1,0,0]=3 483 B8R0.2 CC(C)C(C)N(C)C=O e32ec4d609cdef72cf76408a73ca2025 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.2 CC(C)C(C)N(C)CO a0f7721529d98d8e106c3a529f205f31 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.2 CC(C)N(C)C(=O)C=O f20e6cf29c8294a4acacc246f7b2680e [0,2,0,0,0,0|1,0,1]=4 486 B8R0.2 CC(C)N(C)C(=O)CO d1898419d3ec12ff050916a4a6cb896f [0,2,0,0,0,0|1,0,0]=3 487 B8R0.2 CCC(=O)N(C)C(C)C 3feb699597734e703dbc4fe539ecb6bb [0,2,0,0,0,0|2,0,0]=4 488 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,2,0,0,0,0|2,0,0]=4 489 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,2,0,0,0,0|2,0,0]=4 490 B8R0.2 CCN(C)C(C)C(=O)N c9d5fe87f550d78b666f9d69e7149698 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.2 CCN(C)C(C)C(=O)O 6f2a7033474106426aec9bd9ed3b37aa [0,2,0,0,0,0|1,0,0]=3 492 B8R0.2 CCN(C)C(F)C(=O)N 38943317264fb5f4bb1b8ecb07aa912e [0,2,0,0,0,0|2,0,0]=4 493 B8R0.2 CCN(C)[C@@H](C)C(=O)N e92486f9a20f42ba27598bb897bbfb89 [0,2,0,0,0,0|2,0,0]=4 494 B8R0.2 CCN(C)[C@@H](C)C(=O)O ccda40b7947e3ec868172b2d11a39e32 [0,2,0,0,0,0|1,0,0]=3 495 B8R0.2 CCN(C)[C@H](C)C(=O)N 00061aa619b17a93e01c3e5051412b52 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.2 CCN(C)[C@H](C)C(=O)O a423cd91a719c568f85e9128b6162ae1 [0,2,0,0,0,0|1,0,0]=3 497 B8R0.2 C[C@@H](C(=O)N)N(C)CF 2f40c584e866979365837219f15e6868 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.2 C[C@@H](C(=O)N)N(C)CO 3a3fef6cb3764aa486ea0f1fb8393e88 [0,2,0,0,0,0|2,0,0]=4 499 B8R0.2 C[C@@H](C(=O)O)N(C)CF 0d6ed7ad4ea7484d5b39a392e405ff32 [0,2,0,0,0,0|1,0,0]=3 500 B8R0.2 C[C@@H](C(=O)O)N(C)CO c3f75a694235527c6388e6d7e2f17c01 [0,2,0,0,0,0|1,0,0]=3 501 B8R0.2 C[C@H](C(=O)O)N(C)CF 61c68bea78cdcd7c2b85cec5a91e35a8 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.2 C[C@H](C(=O)O)N(C)CO 5d794c52438840dfb85878a5327b44ff [0,2,0,0,0,0|1,0,0]=3 503 B8R0.5 C#CCN(C)CC(=O)N 9ec6a92780f5226339adbf2368ca4af7 [0,2,0,0,0,0|2,0,0]=4 504 B8R0.5 C#CCN(C)CC(=O)O 9abb39fbf4cdcac02269d67e50e724b5 [0,2,0,0,0,0|1,0,0]=3 505 B8R0.5 C=CCN(C)CC(=O)N f61b92d5e26da491a049c9d34b9e2e8e [0,2,0,0,0,0|2,0,0]=4 506 B8R0.5 C=CCN(C)CC(=O)O 7ee8ca05079b6f72d0f00781a2b17cdf [0,2,0,0,0,0|1,0,0]=3 507 B8R0.5 CC(=O)NC(C)CC#N 4c1eec26fa88af811b86b8c3ab1a2be6 [0,2,0,0,0,0|2,0,0]=4 508 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,2,0,0,0,0|2,0,0]=4 510 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.5 CC(C)CC(=O)NC#N e0f6c1c62407c36da220e653124131f5 [0,2,0,0,0,0|1,0,0]=3 512 B8R0.5 CC(C)CC(C)NC=O e933238982de5f0216c89e274f51b483 [0,2,0,0,0,0|1,0,1]=4 513 B8R0.5 CC(C)CC(C)NCO fda8b77345a43971581a5fdf198496ed [0,2,0,0,0,0|1,0,1]=4 514 B8R0.5 CC(C)CC(C)OCF df3d77bcb70b379ba02111d4ab191925 [0,2,0,0,0,0|1,0,1]=4 515 B8R0.5 CC(C)CN(C)CC=O 59dafc928f01f7d2bba86fd3699f3b41 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.5 CC(C)CN(C)CCO 88c09d521cd5d8864d09de40f53a5749 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.5 CC(C)C[C@@H](C)OCF f59d7cb8778da0cafb571f6f713e384e [0,2,0,0,0,0|1,0,1]=4 518 B8R0.5 CC(C)C[C@H](C)OCF 2266bd706cca147fe8369e224957217a [0,2,0,0,0,0|1,0,1]=4 519 B8R0.5 CC(CC(=O)N)OCF 3e264f2c27636c1a0f540c1f468797f4 [0,2,0,0,0,0|1,0,0]=3 520 B8R0.5 CC(CC(=O)O)NC#N 2707038014831afc2ce40ae6d3c44c2b [0,2,0,0,0,0|0,0,1]=3 521 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,2,0,0,0,0|0,0,0]=2 522 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,2,0,0,0,0|0,0,0]=2 523 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,2,0,0,0,0|0,0,0]=2 524 B8R0.5 CC(C[N+](=O)[O-])OCF ebebef16491bc728411436c052fc9756 [0,2,0,0,0,0|1,0,1]=4 525 B8R0.5 CC(O)CC(C)NCF 1a954ad92b2cd85f7c1e8eb7cc709982 [0,2,0,0,0,0|1,0,1]=4 526 B8R0.5 CC(O)CC(C)NCO a3e3cf347616fa2466ad965e211d77eb [0,2,0,0,0,0|1,0,1]=4 527 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,2,0,0,0,0|2,0,0]=4 528 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,2,0,0,0,0|2,0,0]=4 529 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,2,0,0,0,0|0,0,0]=2 532 B8R0.5 CCNC(C)CC(C)O 43b202ae8ff1647314607d5a8e6eab62 [0,2,0,0,0,0|1,0,1]=4 533 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,2,0,0,0,0|0,0,0]=2 534 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,2,0,0,0,0|0,0,0]=2 535 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,2,0,0,0,0|1,0,0]=3 536 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,2,0,0,0,0|0,0,0]=2 537 B8R0.5 CCOC(C)CC(C)C 30e2f8e558cfdda4b507d2297dd2dc70 [0,2,0,0,0,0|1,0,1]=4 538 B8R0.5 CCOC(C)C[N+](=O)[O-] b27ec23ecb023bda7a5b2b5d22939688 [0,2,0,0,0,0|1,0,1]=4 539 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,2,0,0,0,0|0,0,0]=2 540 B8R0.5 CCO[C@@H](C)CC(C)C 1e2bdc5c56411fd3cd17ac1c2858063c [0,2,0,0,0,0|1,0,1]=4 541 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,2,0,0,0,0|0,0,0]=2 542 B8R0.5 CCO[C@H](C)CC(C)C 914881db7ee4a9dab17d292ad412afd8 [0,2,0,0,0,0|1,0,1]=4 543 B8R0.5 CN(C)CC(=O)NC#N b6069d9fda64d862ee2112b4645b8502 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.5 CN(CC#N)CC(=O)N ee0a3ed4ddf0c948d3e7483cfa3e23be [0,2,0,0,0,0|2,0,0]=4 545 B8R0.5 CN(CC#N)CC(=O)O bc896e10abdeff2aa8e14b2e3c6e86cb [0,2,0,0,0,0|1,0,0]=3 546 B8R0.5 CN(CC=O)CC(=O)N c5050afd22abe354d373b1a0ce703c9b [0,2,0,0,0,0|2,0,0]=4 547 B8R0.5 CN(CC=O)CC(=O)O 4f16c2423e66def517d0d42510089596 [0,2,0,0,0,0|1,0,0]=3 548 B8R0.5 CN(CCF)CC(=O)N d26c9ff0c6aeb9650633740b8e8fbdd2 [0,2,0,0,0,0|2,0,0]=4 549 B8R0.5 CN(CCF)CC(=O)O 378a586b4ce9b0291e7e9d64e15c1748 [0,2,0,0,0,0|1,0,0]=3 550 B8R0.5 CN(CCO)CC(=O)N 0888a0a37efb8cd042350a61e8c75fb4 [0,2,0,0,0,0|2,0,0]=4 551 B8R0.5 CN(CCO)CC(=O)O e22eedcab85615a7cb9a01481995f5a1 [0,2,0,0,0,0|1,0,0]=3 552 B8R0.5 CN(CCS)CC(=O)N ac27f0a2a25a3457ae9c334515a984f5 [0,2,0,0,0,0|2,0,0]=4 553 B8R0.5 CN(CCS)CC(=O)O 20a126cdeaa5b2f572a540b4b00dcdb8 [0,2,0,0,0,0|1,0,0]=3 554 B8R0.5 COCC(C)NC(=O)C d3030be71efb57415a6640caba792cb5 [0,2,0,0,0,0|2,0,0]=4 555 B8R0.5 COCN(C)CC(=O)N 883b5fd21ac0fa4c080e391aedf41537 [0,2,0,0,0,0|2,0,0]=4 556 B8R0.5 COCN(C)CC(=O)O 38182438be3a4fb938d35352c6bcaa17 [0,2,0,0,0,0|1,0,0]=3 557 B8R0.5 COCN(C)CC(C)C ccfc06333099a194fdf9a9972dfaab0f [0,2,0,0,0,0|2,0,0]=4 558 B8R0.5 COC[C@@H](C)NC(=O)C e26de4ebd7327dac480ea010b3a6df2f [0,2,0,0,0,0|2,0,0]=4 559 B8R0.5 COC[C@H](C)NC(=O)C 4d6a771b34650f584286aeb4b67fe92b [0,2,0,0,0,0|2,0,0]=4 560 B8R0.5 CSCN(C)CC(=O)N 95b0cce82a1be92513ca60f76f2c4e94 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,2,0,0,0,0|1,0,0]=3 562 B8R0.5 C[C@@H](CC(=O)O)NCF 7b4409b263377324cee992cead4d4496 [0,2,0,0,0,0|0,0,0]=2 563 B8R0.5 C[C@@H](CC(=O)O)NCO 6f9af837429cbf13d74a82abb33116db [0,2,0,0,0,0|0,0,0]=2 564 B8R0.5 C[C@@H](CC(=O)O)OCF 3a1dfbb8c5aec4e4079809a87b6b3981 [0,2,0,0,0,0|0,0,0]=2 565 B8R0.5 C[C@H](CC(=O)O)NCF 6a82f1327e74ba81c2a6e57eb4cb9aac [0,2,0,0,0,0|0,0,0]=2 566 B8R0.5 C[C@H](CC(=O)O)NCO 3ee6882c6b18b0aec7272fad595282f5 [0,2,0,0,0,0|0,0,0]=2 567 B8R0.5 C[C@H](CC(=O)O)OCF 913e08b306bc95c6771408b42aad5ed2 [0,2,0,0,0,0|0,0,0]=2 568 B8R0.16 CC(=O)NC(CO)CO b933289767d5f896480a48145d3e5dd9 [0,2,0,0,0,0|2,0,0]=4 569 B8R0.16 CCC(CC)NC(=O)C 4ed89f720f0f05324cf79f8a98baf869 [0,2,0,0,0,0|2,0,0]=4 570 B8R0.16 CCC(CO)NC(=O)C 0fc969f502a685ac3a30dff22859fa62 [0,2,0,0,0,0|2,0,0]=4 571 B8R0.16 CCN(C=O)CC(C)C a0d4f7e2b09765b708dd4f00ebe2d340 [0,2,0,0,0,0|2,0,0]=4 572 B8R0.16 CCN(CC)CC(=O)O 6fed7892c18c8ce9f89dfe191b146fca [0,2,0,0,0,0|1,0,0]=3 573 B8R0.16 CCN(CF)CC(=O)O 1572f10e4b030a4a402c19f513bf28bb [0,2,0,0,0,0|1,0,0]=3 574 B8R0.16 CCN(CO)CC(=O)O af04d4435f9e87502f4960e4fa163dc7 [0,2,0,0,0,0|1,0,0]=3 575 B8R0.16 CCN(CO)CC(C)C f806f0f6352a8332de429236acf734d1 [0,2,0,0,0,0|2,0,0]=4 576 B8R0.16 CC[C@@H](CO)NC(=O)C ec21a63ea250126e0e8e11da71f403ff [0,2,0,0,0,0|2,0,0]=4 577 B8R0.16 CC[C@H](CO)NC(=O)C 6d8228e87e113704ba8a910f796088e1 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.19 C#CC(=O)NC(C)CC 61d9b7eb83f4ff7eb7086f9d7e1ae285 [0,2,0,0,0,0|2,0,0]=4 579 B8R0.19 C#CC(=O)NC(C)CO ef2349063c35b76cf4d00bd3f49935ef [0,2,0,0,0,0|2,0,0]=4 580 B8R0.19 C#CC(=O)N[C@@H](C)CC e4430e1df3d27e1f60bfd6ac8cb2107b [0,2,0,0,0,0|2,0,0]=4 581 B8R0.19 C#CC(=O)N[C@@H](C)CO 53eee74018b9e276710cf6173744a777 [0,2,0,0,0,0|2,0,0]=4 582 B8R0.19 C#CC(=O)N[C@H](C)CC 4b809239b5091186dfbcfe36ab818a64 [0,2,0,0,0,0|2,0,0]=4 583 B8R0.19 C#CC(=O)N[C@H](C)CO 825248ab113484f971eda1437fa878f2 [0,2,0,0,0,0|2,0,0]=4 584 B8R0.19 C#CC(C)NC(=O)CO 702ffb71c324a35e34d91444846fafe2 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.19 C#C[C@@H](C)NC(=O)CO 78f287368a403bf2071949db9cf15f95 [0,2,0,0,0,0|1,0,1]=4 586 B8R0.19 C#C[C@H](C)NC(=O)CO 2415c234d694c139fd6864b147fc33dd [0,2,0,0,0,0|1,0,1]=4 587 B8R0.19 C=C(C=O)OC(C)CC c5f7d9036a8fdea0d25979e46bb39add [0,2,0,0,0,0|2,0,0]=4 588 B8R0.19 C=C(CN(C)CC)OC ae7aed41eaced6b8d6d4f4656a97dade [0,2,0,0,0,0|2,0,0]=4 589 B8R0.19 C=C(CO)CN(C)CC 9c16b8a0e80d8cd55610766797cfa55c [0,2,0,0,0,0|2,0,0]=4 590 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,2,0,0,0,0|2,0,0]=4 591 B8R0.19 C=CC(=O)NC(C)CO 7d704e5b0d02912153bbac9ab1524b4a [0,2,0,0,0,0|2,0,0]=4 592 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,2,0,0,0,0|2,0,0]=4 593 B8R0.19 C=CC(=O)N[C@@H](C)CO d3eebdfcf0b68fe67805ed6261019c02 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,2,0,0,0,0|2,0,0]=4 595 B8R0.19 C=CC(=O)N[C@H](C)CO b32e46cc4855adf1cdc7b98fc72ab8f3 [0,2,0,0,0,0|2,0,0]=4 596 B8R0.19 C=CC(C)NC(=O)CO bfff0c86eaaef97d8840737c1dae3696 [0,2,0,0,0,0|1,0,1]=4 597 B8R0.19 CC(C#N)NC(=O)CO 1966565fed6c98aafc0894510067c50f [0,2,0,0,0,0|1,0,1]=4 598 B8R0.19 CC(CO)CN(C)C=O 1651f97b326ac36e19f9ffe26a720260 [0,2,0,0,0,0|2,0,0]=4 599 B8R0.19 CC(CO)CN(C)CO 88f6462de4aacc7ccc10f96b517f63b5 [0,2,0,0,0,0|2,0,0]=4 600 B8R0.19 CC(CO)NC(=O)C=O 1c60e6f2c21701253617f70f64f6f106 [0,2,0,0,0,0|1,0,1]=4 601 B8R0.19 CC(CO)NC(=O)CF ef2266eb5061b2bffbd30285b120264a [0,2,0,0,0,0|2,0,0]=4 602 B8R0.19 CC(CO)NC(=O)CO 36e7f0a9d41f765505ec00dee787948b [0,2,0,0,0,0|1,0,0]=3 603 B8R0.19 CC(CO)NC(=O)CS 4ca68b24b40823bba6f492cc34b6d41b [0,2,0,0,0,0|1,1,0]=4 604 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,2,0,0,0,0|2,0,0]=4 605 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,2,0,0,0,0|2,0,0]=4 606 B8R0.19 CCC(=O)NC(C)CO 31f73ee0dabaaa5a17015c929f45f2fd [0,2,0,0,0,0|2,0,0]=4 607 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.19 CCC(=O)N[C@@H](C)CO a3bcc6db0615cc40ae6703cd20d3dc45 [0,2,0,0,0,0|2,0,0]=4 609 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,2,0,0,0,0|2,0,0]=4 610 B8R0.19 CCC(=O)N[C@H](C)CO 3449d5b097ace6785d86df28155e11e4 [0,2,0,0,0,0|2,0,0]=4 611 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.19 CCC(C)NC(=O)CF be99e999222b335d1cb75f36b6d9cd45 [0,2,0,0,0,0|2,0,0]=4 613 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.19 CCC(C)NC(=O)CS 2bbecd1472ce4a0c07af9c3693119c31 [0,2,0,0,0,0|1,1,0]=4 615 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,2,0,0,0,0|1,0,0]=3 616 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,2,0,0,0,0|2,0,0]=4 617 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,2,0,0,0,0|1,0,0]=3 618 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,2,0,0,0,0|1,0,1]=4 619 B8R0.19 CC[C@@H](C)NC(=O)CF 972ccf96eab46daa18ae78e952074e33 [0,2,0,0,0,0|2,0,0]=4 620 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,2,0,0,0,0|1,0,0]=3 621 B8R0.19 CC[C@@H](C)NC(=O)CS 6576ffdd87c3ad0b66c846698b8c9218 [0,2,0,0,0,0|1,1,0]=4 622 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.19 CC[C@H](C)NC(=O)CF 4effc7db6392db0aa027693c9704097d [0,2,0,0,0,0|2,0,0]=4 624 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,2,0,0,0,0|1,0,0]=3 625 B8R0.19 CC[C@H](C)NC(=O)CS 035bd81fae7cc99474ceaac0a841b71d [0,2,0,0,0,0|1,1,0]=4 626 B8R0.19 CNC(=O)CN(C)CF c4335c7de1ec7a5bdf4619e54da80079 [0,2,0,0,0,0|2,0,0]=4 627 B8R0.19 CNC(=O)CN(C)CO 5e5aacc592b2dd5b7a781dd38b53445b [0,2,0,0,0,0|2,0,0]=4 628 B8R0.19 COC(=O)CN(C)C=O 943cc5729a7d321dfa7dcb2f4fa86c17 [0,2,0,0,0,0|1,0,1]=4 629 B8R0.19 COC(=O)CN(C)CF 315bad3552c61e9bc012d524d408a643 [0,2,0,0,0,0|1,0,0]=3 630 B8R0.19 COC(=O)CN(C)CO ead5047548ab9512878dca6e9fed3e38 [0,2,0,0,0,0|1,0,0]=3 631 B8R0.19 C[C@@H](CO)NC(=O)C=O 7fc1349ef4b9354cd9836d7dba2b3f46 [0,2,0,0,0,0|1,0,1]=4 632 B8R0.19 C[C@@H](CO)NC(=O)CF 2c1d0a1ab5fcd3bc348406e1eae8d857 [0,2,0,0,0,0|2,0,0]=4 633 B8R0.19 C[C@@H](CO)NC(=O)CO 4ef5922646eca2409cc0528bbe495536 [0,2,0,0,0,0|1,0,0]=3 634 B8R0.19 C[C@@H](CO)NC(=O)CS ecb25931c5ecf30a1072b0ef0c850951 [0,2,0,0,0,0|1,1,0]=4 635 B8R0.19 C[C@H](CO)NC(=O)C=O b148bc237154c303bdab4997b908c1ee [0,2,0,0,0,0|1,0,1]=4 636 B8R0.19 C[C@H](CO)NC(=O)CF 47adba76c977441bf582f65bebd39947 [0,2,0,0,0,0|2,0,0]=4 637 B8R0.19 C[C@H](CO)NC(=O)CO 02a86c975d92184b3a8afd5bdd788d80 [0,2,0,0,0,0|1,0,0]=3 638 B8R0.19 C[C@H](CO)NC(=O)CS ecf3d50d57e6bb41773d96b1c96ed61c [0,2,0,0,0,0|1,1,0]=4 639 B8R0.24 C#CC(=O)NC(C)(C)C d6ff5371880b34b198032854cc637c09 [0,2,0,0,0,0|2,0,0]=4 640 B8R0.24 C=CC(=O)NC(C)(C)C 8353e28f0dbb50f436e41440f7cc5cd3 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.24 CC(C)(C)NC(=O)C=O bede45ff0da5a715803e62f9f77379fa [0,2,0,0,0,0|1,0,1]=4 642 B8R0.24 CC(C)(C)NC(=O)CF eaf2c955300b2105c1bb32d1cd07b20a [0,2,0,0,0,0|2,0,0]=4 643 B8R0.24 CC(C)(C)NC(=O)CO 036f0d5d96292df8d1908352e5576a0c [0,2,0,0,0,0|1,0,0]=3 644 B8R0.24 CCC(=O)NC(C)(C)C 26a2f5ebe28b3d4c326c1e70f6823a38 [0,2,0,0,0,0|2,0,0]=4 645 B8R0.24 CN(C=O)CC(C)(C)C b86d4bfdd886ac2d0236a96b2ef1d46b [0,2,0,0,0,0|2,0,0]=4 646 B8R0.24 CN(C=O)CC(C)(C)O 564faf6da158e3f55661a2c9927b3e1c [0,2,0,0,0,0|2,0,0]=4 647 B8R0.24 CN(CO)CC(C)(C)C 020da0d415bacf8f04d9191e1f548d64 [0,2,0,0,0,0|2,0,0]=4 648 B8R0.24 CN(CO)CC(C)(C)O 4ec4b35ea89b8c212dd6b9dcb2ce0dcc [0,2,0,0,0,0|2,0,0]=4 649 B8R0.34 C#CC(C)(C)NC(=O)C 9f96e50a81a01c0efe0ac907bd437a9c [0,2,0,0,0,0|2,0,0]=4 650 B8R0.34 CC(=O)NC(C)(C)C#N ba401c893c3540d47f30db122f75ab1e [0,2,0,0,0,0|2,0,0]=4 651 B8R0.34 CC(=O)NC(C)(C)CF a18ff32a5fc0bc819ab72e44d96d3946 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.34 CC(=O)NC(C)(C)CO 79003794ec6500404906022922bddeef [0,2,0,0,0,0|2,0,0]=4 653 B8R0.34 CCC(C)(C)NC(=O)C 840c3fecba24f983e5795d9efa511b8c [0,2,0,0,0,0|2,0,0]=4 654 B8R0.27 CC(=O)N(C)C(C)(C)C f5cb8b84b627b76eea961cbcd81ccc09 [0,2,0,0,0,0|2,0,0]=4 655 B8R0.18 CCN(C(=O)C)C(C)C 6b8dc1079f487492a94f12950ff27167 [0,2,0,0,0,0|2,0,0]=4 656 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [1,0,0,1,0,0|1,0,0]=3 657 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [1,0,0,1,0,0|1,0,1]=4 658 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,0,0,1,0,1|1,0,0]=3 659 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,0,0,1,0,1|2,0,0]=4 660 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,0,0,1,0,1|2,0,0]=4 661 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,0,0,1,0,1|2,0,0]=4 662 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,0,0,1,0,1|2,0,0]=4 663 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,0,0,1,0,1|2,0,0]=4 664 B8R1.23 CC(C)N1CC(C1)O 19e365516feb7ed51e529f5f1cf8feb5 [0,0,0,1,0,1|1,0,1]=4 665 B8R1.35 C=C(Br)CNC1CC1 2f516375f9ddc5ad56210b340257c5d3 [0,0,0,1,0,1|2,0,0]=4 666 B8R1.35 C=C(Br)COC1CC1 bd8b8133c8c91a86915d922aaf12dcff [0,0,0,1,0,1|2,0,0]=4 667 B8R1.35 C=C(C)CNC1CC1 d7b88e809441d579b0399cecfd2ac93a [0,0,0,1,0,1|2,0,0]=4 668 B8R1.35 C=C(C)COC1CC1 63ffc7725ab16da355947b48ca968597 [0,0,0,1,0,1|2,0,0]=4 669 B8R1.35 C=C(Cl)CNC1CC1 860c5e4f08e3ea3eee595b4e8f44ee50 [0,0,0,1,0,1|2,0,0]=4 670 B8R1.35 C=C(Cl)COC1CC1 1701d80572247b9c5e9687be7dc89d21 [0,0,0,1,0,1|2,0,0]=4 671 B8R1.35 C=C(F)CNC1CC1 211b2ea4bdf3016e6154350d05034cd4 [0,0,0,1,0,1|2,0,0]=4 672 B8R1.35 C=C(F)COC1CC1 f8b7a28a6dcb07d7989406dc0bbbb443 [0,0,0,1,0,1|2,0,0]=4 673 B8R1.35 C=C(I)COC1CC1 317defbe769eafa0fb3cbdc7fc999360 [0,0,0,1,0,1|2,0,0]=4 674 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,0,0,1,0,1|1,0,0]=3 675 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,0,0,1,0,1|1,0,0]=3 676 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,0,0,1,0,1|1,0,0]=3 677 B8R1.35 CC(O)CNC1CC1 b9f250bd72bb55f49d088ac67e0cb3d1 [0,0,0,1,0,1|1,0,1]=4 678 B8R1.35 C[C@@H](O)CNC1CC1 d465ff1ec8c8ef18904ed72be45bd6db [0,0,0,1,0,1|1,0,1]=4 679 B8R1.35 C[C@H](O)CNC1CC1 689794ac138a6a9d1241373cb177f81d [0,0,0,1,0,1|1,0,1]=4 680 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,0,0,1,0,1|1,0,0]=3 681 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,0,0,1,0,1|1,0,0]=3 682 B8R1.35 NC(=S)COC1CC1 6be25ed37cf29dfd01fc062a3dfbdc9f [0,0,0,1,0,1|1,1,0]=4 683 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,0,1,0,1|0,0,0]=2 684 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,0,1,0,1|0,0,0]=2 685 B8R1.35 O=S(O)COC1CC1 85bbc60ec3a8ee46735b8745b51b860d [0,0,0,1,0,1|1,0,0]=3 686 B8R1.35 O=[N+]([O-])CNC1CC1 e1fb95192d4e5a6402b5be124e4d11d5 [0,0,0,1,0,1|1,0,1]=4 687 B8R1.35 O=[N+]([O-])COC1CC1 1c250e52285322e206d852dff75223c7 [0,0,0,1,0,1|1,0,1]=4 688 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,0,0,1,0,1|1,0,0]=3 689 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.1 CC1CCN(C1)CO 35ec454f519cadc0e2b5b2b07f513132 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,1,0,1,0,0|2,0,0]=4 693 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,1,0,1,0,0|2,0,0]=4 694 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,1,0,1,0,0|2,0,0]=4 695 B8R1.34 CC(=O)NC1COC1 434b9f924b049f8d9fb83819938927c2 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,1,0,1,0,0|1,0,0]=3 698 B8R1.40 C#CC(=O)NC1CC1 da5e3817a968937fe8ebc526d822a2bb [0,1,0,1,0,0|2,0,0]=4 699 B8R1.40 C=C(C=O)OC1CC1 b9ffb3a59a8a9a3920997cae2c377c7b [0,1,0,1,0,0|2,0,0]=4 700 B8R1.40 C=CC(=O)NC1CC1 ae1867ae5f1dd1acb685caa201da262d [0,1,0,1,0,0|2,0,0]=4 701 B8R1.40 CCC(=O)NC1CC1 bc1edd04b4e58cbfa3a5f5c726ebfe6b [0,1,0,1,0,0|2,0,0]=4 702 B8R1.40 CN(C=O)CC1CC1 3ebaae3355b02d7a76d4d660673266ff [0,1,0,1,0,0|2,0,0]=4 703 B8R1.40 CN(CO)CC1CC1 72ad48a4f4008a698952e2e0f78177c8 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.40 O=C(CF)NC1CC1 9ccf83dad7006c7283aead2cfdfd9cfa [0,1,0,1,0,0|2,0,0]=4 705 B8R1.40 O=C(CO)NC1CC1 bb096758b55cfb0505bd2d10961bc923 [0,1,0,1,0,0|1,0,0]=3 706 B8R1.40 O=C(CS)NC1CC1 47ed3dec057db245af795d634c1f00f4 [0,1,0,1,0,0|1,1,0]=4 707 B8R1.40 O=CC(=O)NC1CC1 288abfcb7bdb635fa8f12884916c723b [0,1,0,1,0,0|1,0,1]=4 708 B8R1.53 CC1(CN(C1)C=O)C 5a5e1fc4a54c949141b800eff88f962a [0,1,0,1,0,0|2,0,0]=4 709 B8R1.53 CC1(CN(C1)CO)C d014fde87d0d760662d74625985dd8e9 [0,1,0,1,0,0|2,0,0]=4 710 B8R1.54 CC(=O)N(C)C1CC1 61fc6600543372561e48e4dacdc6032f [0,1,0,1,0,0|2,0,0]=4 711 B8R0.28 C/C(=C/COC(C)C)/Cl 7fe9c64c45a9d920627e606e5c16e8c0 [0,0,0,0,0,2|2,0,0]=4 712 B8R0.28 C/C(=C/COC(C)C)/I bf083f5e2b495d1222df4302aafc9da1 [0,0,0,0,0,2|2,0,0]=4 713 B8R0.28 C/C(=C\COC(C)C)/Cl 3d631fcefff4d6e9b8b38f0d9e660ac1 [0,0,0,0,0,2|2,0,0]=4 714 B8R0.28 C=C(Br)CCOC(C)C ebda5fee130a250b1943610fb0d4dd32 [0,0,0,0,0,2|2,0,0]=4 715 B8R0.28 C=C(Br)CNCC(C)C c8a2223ad4fb68f566d748ff6bcd2335 [0,0,0,0,0,2|2,0,0]=4 716 B8R0.28 C=C(Br)COCC(C)C c1a78a7a2c4ff68938dbedaa96847100 [0,0,0,0,0,2|2,0,0]=4 717 B8R0.28 C=C(C)CCNC(C)C 743b41619695d9f1ae0496c6310ea6bc [0,0,0,0,0,2|2,0,0]=4 718 B8R0.28 C=C(C)CCOC(C)C 69cc10ae5801e38a3d14074626c7f435 [0,0,0,0,0,2|2,0,0]=4 719 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,0,0,0,0,2|0,0,2]=4 720 B8R0.28 C=C(C)CNCC(C)C 67c871a24d86e1667f16c08c29255d90 [0,0,0,0,0,2|2,0,0]=4 721 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,0,0,0,0,2|0,0,2]=4 722 B8R0.28 C=C(C)COCC(C)C 4b7379c6d79f87e4ea0cd366985a2d99 [0,0,0,0,0,2|2,0,0]=4 723 B8R0.28 C=C(Cl)CNCC(C)C 133a90dc6fd28ed81828592e584bc629 [0,0,0,0,0,2|2,0,0]=4 724 B8R0.28 C=C(Cl)COCC(C)C 184574507b3b98e3e54e734161d68e3a [0,0,0,0,0,2|2,0,0]=4 725 B8R0.28 C=C(F)CNCC(C)C cf657ab8bf1ba535863f8b8fe0d19e9c [0,0,0,0,0,2|2,0,0]=4 726 B8R0.28 C=C(F)COCC(C)C 232c1ccf078910d1e8ccc5380c172d54 [0,0,0,0,0,2|2,0,0]=4 727 B8R0.28 C=C(I)COCC(C)C fe07220c9926e6770dfe26662ad9f2d0 [0,0,0,0,0,2|2,0,0]=4 728 B8R0.28 CC(=CCNC(C)C)C 4bc1ccab37d407a99a9990c7578b5199 [0,0,0,0,0,2|2,0,0]=4 729 B8R0.28 CC(=CCOC(C)C)C e629491c9d8565cece6e7fc625997c17 [0,0,0,0,0,2|2,0,0]=4 730 B8R0.28 CC(=CCOC(C)C)Cl a39ef05b023be2dade9da17dfad18eaf [0,0,0,0,0,2|2,0,0]=4 731 B8R0.28 CC(=CCOC(C)C)I 01c05b5dfce2ec79ecfc68549232c0d8 [0,0,0,0,0,2|2,0,0]=4 732 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,0,0,0,0,2|1,0,0]=3 733 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,0,0,0,0,2|1,0,1]=4 734 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,0,0,0,0,2|1,0,0]=3 735 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,0,0,0,0,2|2,0,0]=4 736 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,0,0,0,0,2|2,0,0]=4 737 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,0,0,0,0,2|2,0,0]=4 738 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,0,0,0,0,2|2,0,0]=4 739 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,0,0,0,0,2|1,0,1]=4 740 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,0,0,0,0,2|1,0,0]=3 741 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,0,0,0,0,2|2,0,0]=4 742 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,0,0,0,0,2|1,0,1]=4 743 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,0,0,0,0,2|1,0,0]=3 744 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,0,0,0,0,2|2,0,0]=4 745 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,0,0,0,0,2|2,0,0]=4 746 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,0,0,0,0,2|2,0,0]=4 747 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,0,0,0,0,2|2,0,0]=4 748 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,0,0,0,0,2|1,0,0]=3 749 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,0,0,0,0,2|1,0,0]=3 750 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,0,0,0,0,2|1,0,0]=3 751 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,0,0,0,0,2|0,0,0]=2 752 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [0,0,0,0,0,2|1,0,1]=4 753 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [0,0,0,0,0,2|1,0,1]=4 754 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [0,0,0,0,0,2|1,0,1]=4 755 B8R0.28 CC(C)CNC[N+](=O)[O-] e5f388f51900fde81f64a7b5204f667c [0,0,0,0,0,2|1,0,1]=4 756 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,0,0,0,0,2|1,0,0]=3 757 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,0,0,0,0,2|0,0,0]=2 758 B8R0.28 CC(C)COCC(=S)N 55b2e4b0740851f871d2f97589a87dae [0,0,0,0,0,2|1,1,0]=4 759 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,0,0,0,0,2|1,0,0]=3 760 B8R0.28 CC(C)COC[N+](=O)[O-] 47f94b331a22180dd9beb857af40f67d [0,0,0,0,0,2|1,0,1]=4 761 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,0,0,0,0,2|1,0,0]=3 762 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,0,0,0,0,2|0,0,0]=2 763 B8R0.28 CC(C)NCCC(=S)N dd4f1fea922619b4f6e264931f2d243c [0,0,0,0,0,2|1,1,0]=4 764 B8R0.28 CC(C)NCCS(=O)C 98cd73f96f71cf5f44c565cd7f7e7b57 [0,0,0,0,0,2|2,0,0]=4 765 B8R0.28 CC(C)NCCS(=O)O 263a3deff9fb38c3a098f5239db29a80 [0,0,0,0,0,2|1,0,0]=3 766 B8R0.28 CC(C)NCC[C@@H](C)O 22fd34c721310950afa2eb5fa7b9be25 [0,0,0,0,0,2|1,0,1]=4 767 B8R0.28 CC(C)NCC[C@H](C)O 49b6367cd8f92ec1d9eb4f55dcad194e [0,0,0,0,0,2|1,0,1]=4 768 B8R0.28 CC(C)OCC=C(Cl)Cl 3977695a98ea503580f0c7a3779b47e7 [0,0,0,0,0,2|2,0,0]=4 769 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,0,0,0,0,2|1,0,0]=3 770 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,0,0,0,0,2|0,0,0]=2 771 B8R0.28 CC(C)OCCS(=O)C 9f44a2155f1463de437cc5b5f1a51c9f [0,0,0,0,0,2|2,0,0]=4 772 B8R0.28 CC(C)OCC[N+](=O)[O-] 2fa45c3a4a072eea01604f0243815c5a [0,0,0,0,0,2|1,0,1]=4 773 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,0,0,0,0,2|1,0,0]=3 774 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,0,0,0,0,2|1,0,0]=3 775 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,0,0,0,0,2|2,0,0]=4 776 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,0,0,0,0,2|1,0,0]=3 777 B8R0.28 CC(O)CCNC(C)C c17e7a58f1e2a686463daf8ba7d1a0e5 [0,0,0,0,0,2|1,0,1]=4 778 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,0,0,0,0,2|2,0,0]=4 779 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,0,0,0,0,2|1,0,0]=3 780 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,0,0,0,0,2|2,0,0]=4 781 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,0,0,0,0,2|1,0,0]=3 782 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,0,0,0,0,2|2,0,0]=4 783 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,0,0,0,0,2|1,0,0]=3 784 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,0,0,0,0,2|2,0,0]=4 785 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,0,0,0,0,2|1,0,0]=3 786 B8R0.28 CN(C)COCS(=O)O 31b80e781d9b95ad4f23dc71b05264ed [0,0,0,0,0,2|2,0,0]=4 787 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,0,0,0,0,2|2,0,0]=4 788 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,0,0,0,0,2|1,0,0]=3 789 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,0,0,0,0,2|2,0,0]=4 790 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,0,0,0,0,2|1,0,0]=3 791 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,0,0,0,0,2|2,0,0]=4 792 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,0,0,0,0,2|1,0,0]=3 793 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,0,0,0,0,2|2,0,0]=4 794 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,0,0,0,0,2|1,0,0]=3 795 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,0,0,0,0,2|2,0,0]=4 796 B8R0.28 O=C(O)COCC(F)F 9e8fe105feb56c3ab08ea5459b7002d2 [0,0,0,0,0,2|2,0,0]=4