0 B7R0.2 C=C(Br)CN(C)CC a95e900b3ccec6668bc411630f5decf3 [0,1,0,0,0,0|2,0,0]=3 1 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,1,0,0,0,0|2,0,0]=3 2 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [0,1,0,0,0,0|3,0,0]=4 3 B7R0.2 C=C(Cl)CN(C)CC 85a42652568d865a3db0ed61404dde1c [0,1,0,0,0,0|2,0,0]=3 4 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,1,0,0,0,0|3,0,0]=4 5 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,1,0,0,0,0|3,0,0]=4 7 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.2 CC(C)CN(C)CF f2a6b79f5877628929a1b31fd183a5d0 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.2 CC(O)CN(C)CF c09526189cafd23891f682c66649d125 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [0,1,0,0,0,0|1,0,2]=4 12 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,1,0,0,0,0|0,0,0]=1 14 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,1,0,0,0,0|1,0,0]=2 15 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [0,1,0,0,0,0|2,0,1]=4 16 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.2 CCN(C)CC(F)F ffb0011f568ae55bb7bb9747777b52af [0,1,0,0,0,0|2,0,1]=4 18 B7R0.2 CCN(C)CN(C)C f99659c98f126cf47210322e6b249111 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,1,0,0,0,0|1,0,2]=4 20 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.2 CCN(C)C[N+](=O)[O-] 1747c815c0bddd9b3eea2e8a91b60fbe [0,1,0,0,0,0|2,0,0]=3 22 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.2 CN(C=O)CC(=O)N 647b1daaec1cafb5c97dc5a4d13d2291 [0,1,0,0,0,0|0,0,1]=2 25 B7R0.2 CN(CF)CC(=O)N 35f09c99eb4485b888503c93a96568a5 [0,1,0,0,0,0|0,0,0]=1 26 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.2 CN(CF)CC(F)F 3ce67ecd067dc3b5c0409e5a64b0bbbe [0,1,0,0,0,0|2,0,1]=4 28 B7R0.2 CN(CO)CC(=O)N 731e626c7cf4b35c02c8b97f3321d2b5 [0,1,0,0,0,0|0,0,0]=1 29 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,1,0,0,0,0|1,0,0]=2 30 B7R0.2 CN(CO)CC(F)F c19961e26bc0fd66197092950a862b42 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.2 C[C@H](O)CN(C)CF 5a09021deee6ed4ea8f52ce12dc22c90 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [0,1,0,0,0,0|1,0,2]=4 33 B7R0.9 CC(=O)NC(C)(C)C a1c7999946c2b3954cecc4a7e85b6160 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,1,0,0,0,0|3,0,0]=4 35 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,0,0,1,0,0|3,0,0]=4 36 B7R0.6 C=C(Br)CNC(C)C c11e07a13ecc707bc58321e025560b63 [0,0,0,0,0,1|3,0,0]=4 37 B7R0.6 C=C(Br)COC(C)C 85740d76b7c2437207f473c522fb5652 [0,0,0,0,0,1|3,0,0]=4 38 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,0,0,0,0,1|2,0,1]=4 39 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,0,0,0,0,1|3,0,0]=4 40 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,0,0,0,0,1|3,0,0]=4 41 B7R0.6 C=C(Cl)COC(C)C 83e9098a63a39f58f2f10cb0166f135d [0,0,0,0,0,1|3,0,0]=4 42 B7R0.6 C=C(I)COC(C)C 638d63b8c7c0ebdc1a903379afb5a44c [0,0,0,0,0,1|3,0,0]=4 43 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,0,0,0,0,1|3,0,0]=4 44 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,0,0,0,0,1|2,0,0]=3 45 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,0,0,0,0,1|2,0,0]=3 46 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,0,0,0,0,1|2,0,0]=3 47 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,0,0,0,0,1|2,0,0]=3 48 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,0,0,0,0,1|3,0,0]=4 49 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,0,0,0,0,1|3,0,0]=4 50 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,0,0,0,0,1|3,0,0]=4 51 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,0,0,0,0,1|1,0,0]=2 52 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,0,0,0,0,1|2,0,0]=3 53 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,0,0,0,0,1|1,0,0]=2 54 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,0,0,0,0,1|2,0,0]=3 55 B7R0.6 CC(C)OCC(=S)N 1cbdee4d5c3385daad7ba959afed69ee [0,0,0,0,0,1|1,1,0]=3 56 B7R0.6 CC(C)OCN(C)C 10d50f079b7aea6fe97d70fc778c501b [0,0,0,0,0,1|2,0,1]=4 57 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,0,0,0,0,1|3,0,0]=4 58 B7R0.6 CC(C)OC[N+](=O)[O-] a09a83c915051312c8a631b9d400a750 [0,0,0,0,0,1|3,0,0]=4 59 B6R0.1 C#CCN(C)CC df628b2fb59d020a233c7468342e16c7 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.1 C#CCN(C)CF 3a7cf607d698f0f7870d7aacc2f960c3 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.1 C#CCN(C)CO 233801036d1556dadc2fa829e2eef3b2 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [1,1,0,0,0,0|1,0,0]=3 64 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [1,1,0,0,0,0|1,0,0]=3 65 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [1,1,0,0,0,0|1,0,0]=3 66 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,1,0,0,0,0|1,0,1]=4 69 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|1,0,1]=4 71 B6R0.1 CCN(C)CC#N 2853a7af5707f71aff1eef2c0f44a019 [1,1,0,0,0,0|0,0,2]=4 72 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,1,0,0,0,0|0,0,0]=2 73 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,1,0,0,0,0|1,0,1]=4 74 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,1,0,0,0,0|0,0,2]=4 75 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,1,0,0,0,0|0,1,1]=4 76 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [1,1,0,0,0,0|2,0,0]=4 77 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [1,1,0,0,0,0|2,0,0]=4 78 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [1,1,0,0,0,0|2,0,0]=4 79 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [1,1,0,0,0,0|2,0,0]=4 80 B6R0.1 CN(CF)CC#N cc126d10fa2e2bd83c0f8f82e172e17f [1,1,0,0,0,0|0,0,2]=4 81 B6R0.1 CN(CF)CCF 3637d23f051ca2593a5a5b98ee47a1b5 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [1,1,0,0,0,0|0,0,2]=4 83 B6R0.1 CN(CO)CC#N 980602725576f2e824d0e865b4b20c78 [1,1,0,0,0,0|0,0,2]=4 84 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [1,1,0,0,0,0|0,0,2]=4 86 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [1,1,0,0,0,0|2,0,0]=4 88 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.4 C=C(Br)CNCF 7c97187d15161b8d316e611ae308f21e [1,1,0,0,0,0|2,0,0]=4 91 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,1,0,0,0,0|1,0,1]=4 93 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|2,0,0]=4 94 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [1,1,0,0,0,0|2,0,0]=4 95 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,1,0,0,0,0|1,0,0]=3 99 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|1,0,0]=3 100 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,1,0,0,0,0|1,0,0]=3 102 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,1,0,0,0,0|1,0,0]=3 103 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|1,0,0]=3 106 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,1,0,0,0,0|0,0,0]=2 107 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|1,0,0]=3 108 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,1,0,0,0,0|2,0,0]=4 109 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,1,0,0,0,0|1,0,0]=3 110 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,1,0,0,0,0|1,1,0]=4 112 B6R0.4 CN(C)CNC#N 70bb0e2c2058c1d75bd3cb0419a156d0 [1,1,0,0,0,0|0,0,2]=4 113 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [1,1,0,0,0,0|0,0,1]=3 116 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [1,1,0,0,0,0|0,0,1]=3 118 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,1,0,0,0,0|0,0,0]=2 119 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,1,0,0,0,0|0,0,0]=2 120 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,1,0,0,0,0|1,0,0]=3 121 B6R0.4 NC(=S)COCF 656cb42c290d81f49517967a9160e9b8 [1,1,0,0,0,0|1,1,0]=4 122 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,1,0,0,0,0|1,0,0]=3 123 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.5 CC(C)(C)NC=O fd731f01e449e88bdf1e84dfcee6c8d2 [1,1,0,0,0,0|2,0,0]=4 126 B8R0.9 C#CC(=O)NCC(C)C 1b59405d1466ebf3ed688b4fa128ca83 [0,1,0,0,0,1|2,0,0]=4 127 B8R0.9 C#CC(C)NCC(=O)N 32d3ca8a304fcc6b77ac118eb613c4d0 [0,1,0,0,0,1|1,0,1]=4 128 B8R0.9 C#CC(C)OCC(=O)N 6651eb1a1e92c823417176ec5e477313 [0,1,0,0,0,1|1,0,1]=4 129 B8R0.9 C#C[C@@H](C)NCC(=O)N ae23c8b7683fb792d58192169f61f02d [0,1,0,0,0,1|1,0,1]=4 130 B8R0.9 C#C[C@@H](C)OCC(=O)N c25236b627e20c497b67314d1c7aadee [0,1,0,0,0,1|1,0,1]=4 131 B8R0.9 C#C[C@H](C)NCC(=O)N 79963d7d1eb88702311e6f8108ddfc3d [0,1,0,0,0,1|1,0,1]=4 132 B8R0.9 C#C[C@H](C)OCC(=O)N d36d678d56ba5311696ce65072d8c107 [0,1,0,0,0,1|1,0,1]=4 133 B8R0.9 C=C(C)CCN(C)CC 975bc598c990d4455049b666e0eec143 [0,1,0,0,0,1|2,0,0]=4 134 B8R0.9 C=C(C=O)OCC(C)C c5cdf695798fe36105735778dae3c7a0 [0,1,0,0,0,1|2,0,0]=4 135 B8R0.9 C=C(C=O)OCN(C)C 8f1b31b2204f757194c668fd22936588 [0,1,0,0,0,1|1,0,0]=3 136 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,1,0,0,0,1|2,0,0]=4 137 B8R0.9 C=CC(C)NCC(=O)N 8e99b62ce7b0cacfac123da3e0d44453 [0,1,0,0,0,1|1,0,1]=4 138 B8R0.9 C=CC(C)OCC(=O)N 0d06a7ddf76614144a3227f608d154b8 [0,1,0,0,0,1|1,0,1]=4 139 B8R0.9 C=C[C@H](C)OCC(=O)N ba49805e8ed0d5d0e00a52526e184ffd [0,1,0,0,0,1|1,0,1]=4 140 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,1,0,0,0,1|2,0,0]=4 141 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,1,0,0,0,1|2,0,0]=4 142 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,1,0,0,0,1|2,0,0]=4 143 B8R0.9 CC(=O)NCC(=O)NO 859b03f5192e57ca509f1bfda110b8fd [0,1,0,0,0,1|2,0,0]=4 144 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,1,0,0,0,1|2,0,0]=4 145 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,1,0,0,0,1|2,0,0]=4 146 B8R0.9 CC(C#N)NCC(=O)N d29bd277beb2ae89e361147ba0b29db1 [0,1,0,0,0,1|1,0,1]=4 147 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,1,0,0,0,1|2,0,0]=4 148 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,1,0,0,0,1|2,0,0]=4 149 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,1,0,0,0,1|2,0,0]=4 150 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,1,0,0,0,1|2,0,0]=4 151 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,1,0,0,0,1|1,0,0]=3 152 B8R0.9 CC(C=O)NCC(=O)N 8e22627cfffb50e4ce2f26bd34026793 [0,1,0,0,0,1|1,0,1]=4 153 B8R0.9 CC(C=O)OCC(=O)N e8fdf3bf6f6dfcc63a5ed65bb70bb389 [0,1,0,0,0,1|1,0,1]=4 154 B8R0.9 CC(C=O)OCN(C)C 4dc03f8644dc120ddbe18940ad718344 [0,1,0,0,0,1|1,0,1]=4 155 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,1,0,0,0,1|1,0,0]=3 156 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,1,0,0,0,1|2,0,0]=4 157 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,1,0,0,0,1|1,0,0]=3 158 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,1,0,0,0,1|2,0,0]=4 159 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,1,0,0,0,1|1,0,0]=3 160 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,1,0,0,0,1|2,0,0]=4 161 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,1,0,0,0,1|2,0,0]=4 162 B8R0.9 CCC(=O)NCC(=O)N 07cfd3edf39ace2eb27c9b7f36ff92b5 [0,1,0,0,0,1|2,0,0]=4 163 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,1,0,0,0,1|2,0,0]=4 164 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,1,0,0,0,1|2,0,0]=4 165 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,1,0,0,0,1|2,0,0]=4 166 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,1,0,0,0,1|1,0,0]=3 167 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,0,0,0,1|2,0,0]=4 168 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,1,0,0,0,1|2,0,0]=4 169 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,1,0,0,0,1|1,0,0]=3 170 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,0,0,0,1|2,0,0]=4 171 B8R0.9 CCC(C)OCC(=S)N 6b597837cee3e8ac97ffdee12a28c691 [0,1,0,0,0,1|1,1,0]=4 172 B8R0.9 CCN(C)C/C=C(/C)\I 945539a0be2d2b92cfa3d742d9a77c1d [0,1,0,0,0,1|2,0,0]=4 173 B8R0.9 CCN(C)C/C=C(\C)/Cl 5505efc6eb792f0e0e3d3d503392c5e2 [0,1,0,0,0,1|2,0,0]=4 174 B8R0.9 CCN(C)CC=C(C)C c0858b3ee9aa449ac1738f4ea9e9cac4 [0,1,0,0,0,1|2,0,0]=4 175 B8R0.9 CCN(C)CC=C(C)Cl 458299661b7d0fc1677eea27dd2b871d [0,1,0,0,0,1|2,0,0]=4 176 B8R0.9 CCN(C)CC=C(C)I 1af4c35d498622d3ba87dd7d32a0ed2e [0,1,0,0,0,1|2,0,0]=4 177 B8R0.9 CCN(C)CC=C(Cl)Cl f9126f3f367a14a36d9361f259744c02 [0,1,0,0,0,1|2,0,0]=4 178 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,1,0,0,0,1|1,0,0]=3 179 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,1,0,0,0,1|0,0,0]=2 180 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,0,0,0,1|1,0,0]=3 181 B8R0.9 CCN(C)CCS(=O)C 181957332795259e7c2d453ef9f3db35 [0,1,0,0,0,1|2,0,0]=4 182 B8R0.9 CCN(C)COC(=O)C 662418b9fd851b02bfa0c21ae20e504d [0,1,0,0,0,1|1,0,0]=3 183 B8R0.9 CCN(C)CSC(=O)N adc277bb406ecaf954503ab4cdfcb5b9 [0,1,0,0,0,1|0,0,0]=2 184 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,1,0,0,0,1|1,0,0]=3 185 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,0,0,0,1|2,0,0]=4 186 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,1,0,0,0,1|1,0,0]=3 187 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,0,0,0,1|2,0,0]=4 188 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,1,0,0,0,1|2,0,0]=4 189 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,1,0,0,0,1|1,0,0]=3 190 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,0,0,0,1|2,0,0]=4 191 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,1,0,0,0,1|1,0,0]=3 192 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,0,0,0,1|2,0,0]=4 193 B8R0.9 CN(C)CCN(C)C=O b34edb31e570d3653e5ff795502442ff [0,1,0,0,0,1|2,0,0]=4 194 B8R0.9 CN(C=O)CCC(=O)N 90047bedb23fa37b5b4136a7076e845e [0,1,0,0,0,1|0,0,1]=3 195 B8R0.9 CN(CF)CCC(=O)N 6d094d2271b3869e64c635a327791e7d [0,1,0,0,0,1|0,0,0]=2 196 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,1,0,0,0,1|1,0,0]=3 197 B8R0.9 CN(CO)CCC(=O)N e23409c848954f75cfbaa958caecdeb6 [0,1,0,0,0,1|0,0,0]=2 198 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,1,0,0,0,1|1,0,0]=3 199 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,1,0,0,0,1|2,0,0]=4 200 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,1,0,0,0,1|1,0,0]=3 201 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,1,0,0,0,1|1,0,0]=3 202 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,1,0,0,0,1|2,0,0]=4 203 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,1,0,0,0,1|2,0,0]=4 204 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,1,0,0,0,1|2,0,0]=4 205 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,1,0,0,0,1|2,0,0]=4 206 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,1,0,0,0,1|1,0,0]=3 207 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,1,0,0,0,1|2,0,0]=4 208 B8R0.9 C[C@H](C=O)NCC(=O)N ef543a8173a46829d7a3deea97b641bf [0,1,0,0,0,1|1,0,1]=4 209 B8R0.9 C[C@H](C=O)OCC(=O)N 0891ae8d42b8c64aeeb2a884817c9c4b [0,1,0,0,0,1|1,0,1]=4 210 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,1,0,0,0,1|1,0,0]=3 211 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,1,0,0,0,1|2,0,0]=4 212 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,1,0,0,0,1|1,0,0]=3 213 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,1,0,0,0,1|2,0,0]=4 214 B8R0.9 NC(=O)CNC(=O)CF db593d89e7670a005c774ca2f8374dfb [0,1,0,0,0,1|2,0,0]=4 215 B8R0.9 NC(=O)CNC(=O)CO 653fe2a259064b2314936bfe631decbe [0,1,0,0,0,1|2,0,0]=4 216 B8R0.9 NC(=O)CNC(=O)CS 6e683197f6fdcf4c8284917873578464 [0,1,0,0,0,1|2,0,0]=4 217 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,0,0,0,1|2,0,0]=4 218 B8R0.23 CC(=O)N(C)CC(=O)N 6f58f2f5ad7b07ef07711fc466f59108 [0,1,0,0,0,1|2,0,0]=4 219 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,1,0,0,0,1|2,0,0]=4 220 B8R0.23 CC(=O)NC(C)C(=O)N 69ea1b0fb4e1891bc844e1c81cd6f7ed [0,1,0,0,0,1|2,0,0]=4 221 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,1,0,0,0,1|2,0,0]=4 222 B8R0.23 CC(=O)N[C@@H](C)C(=O)N 1daed479b13f5a4dee80df6bef80207a [0,1,0,0,0,1|2,0,0]=4 223 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.23 CC(=O)N[C@H](C)C(=O)N d4ac5a93c8007d546d5eddc7f5fb26e4 [0,1,0,0,0,1|2,0,0]=4 225 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,1,0,0,0,1|2,0,0]=4 226 B8R0.23 CC(C)N(C)CC(=O)N 40fedc251db3e73f4c6c403ff754fd20 [0,1,0,0,0,1|1,0,0]=3 227 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,1,0,0,0,1|2,0,0]=4 228 B8R0.23 CC(C)NC(C)C(=O)N a5bc7ca7b26f70e25af65a6a1a9f3a6a [0,1,0,0,0,1|1,0,0]=3 229 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,0,0,0,1|2,0,0]=4 230 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,0,0,0,1|2,0,0]=4 231 B8R0.23 CC(C)N[C@@H](C)C(=O)N 5f6838b5769e3be13957b346a9b1c5a9 [0,1,0,0,0,1|1,0,0]=3 232 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.23 CC(C)N[C@H](C)C(=O)N 218299f571bd8ab6e55ebde7f90f3dc6 [0,1,0,0,0,1|1,0,0]=3 234 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,0,0,0,1|2,0,0]=4 235 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,1,0,0,0,1|1,0,0]=3 236 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,0,0,0,1|2,0,0]=4 237 B8R0.23 CC(C)OC(F)C(=O)N 4e500a655b0251a68623c9a9bac567cd [0,1,0,0,0,1|1,0,0]=3 238 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,1,0,0,0,1|1,0,0]=3 239 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,0,0,0,1|2,0,0]=4 240 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,1,0,0,0,1|1,0,0]=3 241 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,0,0,0,1|2,0,0]=4 242 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,1,0,0,0,1|2,0,0]=4 243 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,1,0,0,0,1|2,0,0]=4 244 B8R0.29 CC(C)(C)NCC(=O)N bc7ea50a25eec83821fcbddcdcab7596 [0,1,0,0,0,1|1,0,0]=3 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0d6ed7ad4ea7484d5b39a392e405ff32 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.2 C[C@@H](C(=O)O)N(C)CO c3f75a694235527c6388e6d7e2f17c01 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.2 C[C@H](C(=O)O)N(C)CF 61c68bea78cdcd7c2b85cec5a91e35a8 [0,2,0,0,0,0|1,0,0]=3 271 B8R0.2 C[C@H](C(=O)O)N(C)CO 5d794c52438840dfb85878a5327b44ff [0,2,0,0,0,0|1,0,0]=3 272 B8R0.5 C#CCN(C)CC(=C)Br 877bbede3a61e82df0ac3b1ecaa9f03d [0,2,0,0,0,0|2,0,0]=4 273 B8R0.5 C#CCN(C)CC(=C)C ecea4f613457335378c52b197c457eec [0,2,0,0,0,0|2,0,0]=4 274 B8R0.5 C#CCN(C)CC(=C)Cl 4bd565d3295ea2c5f297c9e5f1519ded [0,2,0,0,0,0|2,0,0]=4 275 B8R0.5 C#CCN(C)CC(=C)F d8e8db561c353c971d3003914be9c4fd [0,2,0,0,0,0|2,0,0]=4 276 B8R0.5 C#CCN(C)CC(=O)N 9ec6a92780f5226339adbf2368ca4af7 [0,2,0,0,0,0|0,0,0]=2 277 B8R0.5 C#CCN(C)CC(=O)O 9abb39fbf4cdcac02269d67e50e724b5 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.5 C#CCN(C)C[N+](=O)[O-] 95f5def02f255ae89aa901d10e6721f3 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.5 C=C(Br)CN(C)CC#N 75ed73a4d2eed50a2c1114747d9924a3 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.5 C=C(Br)CN(C)CCC fb2b399db1881507b03f49296dad3a42 [0,2,0,0,0,0|2,0,0]=4 281 B8R0.5 C=C(Br)CN(C)CCF 8c286b53f0d9026a8df3ff47c9eb6c3a [0,2,0,0,0,0|2,0,0]=4 282 B8R0.5 C=C(Br)CN(C)CCO 04f2161f092181bead21494258a7eb25 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.5 C=C(C)CC(=O)NC#N 8c9b85d0de804d2ba2bc98787a6fb3c9 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.5 C=C(C)CN(C)CC#N fc9118471d16506947607e6469452e8d [0,2,0,0,0,0|2,0,0]=4 285 B8R0.5 C=C(C)CN(C)CCC 67a547626d9fe48bc4d555dd9d8ee25d [0,2,0,0,0,0|2,0,0]=4 286 B8R0.5 C=C(C)CN(C)CCF a4346fde4025c5db2d5e6bbfb7c0c985 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.5 C=C(C)CN(C)CCO 3d91c7b5e7811a5d832abe616ae4a280 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.5 C=C(Cl)CN(C)CC#N 8e0da5a75b3c71dd7481c3217a9a9f7c [0,2,0,0,0,0|2,0,0]=4 289 B8R0.5 C=C(Cl)CN(C)CCC 40fce807c5ffbcb654536672bed9a3b8 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.5 C=C(Cl)CN(C)CCF 3c3aa684bb42370ebdcb05de868f97d4 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.5 C=C(Cl)CN(C)CCO f4f38b93cefea8a6e2262373359953c3 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.5 C=C(F)CN(C)CC#N 56281d8f4b9aa5053114b1ccdf9e59a4 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.5 C=C(F)CN(C)CCF 43dc4270a38fc198188d19fe92a34481 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.5 C=CCN(C)CC(=C)Br 2a6f45d15d8d5c84df9834af9825d88a [0,2,0,0,0,0|2,0,0]=4 295 B8R0.5 C=CCN(C)CC(=C)C 0232d610fd0d125847f5441283baa3f6 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.5 C=CCN(C)CC(=C)Cl bb76fbd34f41c089399e3ae13d47d4ac [0,2,0,0,0,0|2,0,0]=4 297 B8R0.5 C=CCN(C)CC(=C)F abd0820d4525da0a5267b9a2d0076d69 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.5 C=CCN(C)CC(=O)N f61b92d5e26da491a049c9d34b9e2e8e [0,2,0,0,0,0|0,0,0]=2 299 B8R0.5 C=CCN(C)CC(=O)O 7ee8ca05079b6f72d0f00781a2b17cdf [0,2,0,0,0,0|1,0,0]=3 300 B8R0.5 C=CCN(C)C[N+](=O)[O-] 2bf3098e25c6ccf0e81a64e9fe644cdf [0,2,0,0,0,0|2,0,0]=4 301 B8R0.5 CC(=CC(=O)NC#N)C 2a32986a582b42b3d043938c8cc97fb5 [0,2,0,0,0,0|1,0,1]=4 302 B8R0.5 CC(=O)CC(=O)NC#N c27733a059944f66e47a0e3b19657040 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.5 CC(C)CC(=O)NC#N e0f6c1c62407c36da220e653124131f5 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.5 CC(CC(=O)N)OCF 3e264f2c27636c1a0f540c1f468797f4 [0,2,0,0,0,0|1,0,0]=3 305 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,2,0,0,0,0|2,0,0]=4 307 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,2,0,0,0,0|2,0,0]=4 308 B8R0.5 CC(CN(C)C)NC=O 0421ece4ecef12595309d8230b303423 [0,2,0,0,0,0|1,0,1]=4 309 B8R0.5 CC(CN(C)C)NCF 6b7dea05a891712aea0702e648045d2f [0,2,0,0,0,0|1,0,1]=4 310 B8R0.5 CC(CN(C)C)NCO 86317f4a1c7ddfe5ccc0d892a8d8baa8 [0,2,0,0,0,0|1,0,1]=4 311 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,2,0,0,0,0|0,0,0]=2 312 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.5 CCCN(C)C[N+](=O)[O-] 1da16b4d827595081bb5ff08735265aa [0,2,0,0,0,0|2,0,0]=4 314 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,2,0,0,0,0|2,0,0]=4 315 B8R0.5 CCNC(C)CN(C)C 3647b655ca2afa948df2daf8e7b3863a [0,2,0,0,0,0|1,0,1]=4 316 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,2,0,0,0,0|2,0,0]=4 317 B8R0.5 CCN[C@@H](C)CN(C)C 73dbe197bb194ada6ceef16a3da0165d [0,2,0,0,0,0|1,0,1]=4 318 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,2,0,0,0,0|2,0,0]=4 319 B8R0.5 CCN[C@H](C)CN(C)C a51baa1074a724bab895601c4ea99cae [0,2,0,0,0,0|1,0,1]=4 320 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,2,0,0,0,0|1,0,0]=3 321 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,2,0,0,0,0|2,0,0]=4 323 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,2,0,0,0,0|2,0,0]=4 324 B8R0.5 CN(C)CC(=O)NC#N b6069d9fda64d862ee2112b4645b8502 [0,2,0,0,0,0|0,0,0]=2 325 B8R0.5 CN(CC#N)CC(=O)N ee0a3ed4ddf0c948d3e7483cfa3e23be [0,2,0,0,0,0|0,0,0]=2 326 B8R0.5 CN(CC#N)CC(=O)O bc896e10abdeff2aa8e14b2e3c6e86cb [0,2,0,0,0,0|1,0,0]=3 327 B8R0.5 CN(CC#N)C[N+](=O)[O-] 6878b84f0f11b4cb28920198bf7edbf5 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.5 CN(CC=O)CC(=O)N c5050afd22abe354d373b1a0ce703c9b [0,2,0,0,0,0|0,0,0]=2 329 B8R0.5 CN(CC=O)CC(=O)O 4f16c2423e66def517d0d42510089596 [0,2,0,0,0,0|1,0,0]=3 330 B8R0.5 CN(CCF)CC(=O)N d26c9ff0c6aeb9650633740b8e8fbdd2 [0,2,0,0,0,0|0,0,0]=2 331 B8R0.5 CN(CCF)CC(=O)O 378a586b4ce9b0291e7e9d64e15c1748 [0,2,0,0,0,0|1,0,0]=3 332 B8R0.5 CN(CCF)C[N+](=O)[O-] 0a648882ff2e3202963a570b9a23eec5 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.5 CN(CCO)CC(=O)N 0888a0a37efb8cd042350a61e8c75fb4 [0,2,0,0,0,0|0,0,0]=2 334 B8R0.5 CN(CCO)CC(=O)O e22eedcab85615a7cb9a01481995f5a1 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.5 CN(CCO)C[N+](=O)[O-] 744833b966e88885947b0234a2941619 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.5 CN(CCS)CC(=O)N ac27f0a2a25a3457ae9c334515a984f5 [0,2,0,0,0,0|0,0,0]=2 337 B8R0.5 CN(CCS)CC(=O)O 20a126cdeaa5b2f572a540b4b00dcdb8 [0,2,0,0,0,0|1,0,0]=3 338 B8R0.5 COCN(C)CC(=O)N 883b5fd21ac0fa4c080e391aedf41537 [0,2,0,0,0,0|0,0,0]=2 339 B8R0.5 COCN(C)CC(=O)O 38182438be3a4fb938d35352c6bcaa17 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.5 CSCN(C)CC(=O)N 95b0cce82a1be92513ca60f76f2c4e94 [0,2,0,0,0,0|0,0,0]=2 341 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.5 C[C@@H](CC(=O)O)NCF 7b4409b263377324cee992cead4d4496 [0,2,0,0,0,0|2,0,0]=4 343 B8R0.5 C[C@@H](CC(=O)O)NCO 6f9af837429cbf13d74a82abb33116db [0,2,0,0,0,0|2,0,0]=4 344 B8R0.5 C[C@@H](CC(=O)O)OCF 3a1dfbb8c5aec4e4079809a87b6b3981 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.5 C[C@@H](CN(C)C)NC=O c7c79254df6def27ef135d659a9a7575 [0,2,0,0,0,0|1,0,1]=4 346 B8R0.5 C[C@@H](CN(C)C)NCF c976d906407d4511263414ab98bfa518 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.5 C[C@@H](CN(C)C)NCO 483617ff20000e2595aa9dc0be74f33e [0,2,0,0,0,0|1,0,1]=4 348 B8R0.5 C[C@H](CC(=O)O)NCF 6a82f1327e74ba81c2a6e57eb4cb9aac [0,2,0,0,0,0|2,0,0]=4 349 B8R0.5 C[C@H](CC(=O)O)NCO 3ee6882c6b18b0aec7272fad595282f5 [0,2,0,0,0,0|2,0,0]=4 350 B8R0.5 C[C@H](CC(=O)O)OCF 913e08b306bc95c6771408b42aad5ed2 [0,2,0,0,0,0|2,0,0]=4 351 B8R0.5 C[C@H](CN(C)C)NC=O 5141e7462b522924fc32f48778373e41 [0,2,0,0,0,0|1,0,1]=4 352 B8R0.5 C[C@H](CN(C)C)NCF de3f95b63b094bc4c477f1909efeb003 [0,2,0,0,0,0|1,0,1]=4 353 B8R0.5 C[C@H](CN(C)C)NCO 568346fcb0e59c831142035b0fe67d54 [0,2,0,0,0,0|1,0,1]=4 354 B8R0.16 C=C(C)CN(CC)CC 5e7edabf5a8714e74a2bb1ad7dd94499 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.16 C=C(C)CN(CC)CF fb462ba98ce1838dd4d16ae3abcf2592 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.16 C=C(C)CN(CC)CO d3e5e60a1b260bb44f4da36f7d5b093a [0,2,0,0,0,0|2,0,0]=4 357 B8R0.16 CCN(CC)CC(=O)O 6fed7892c18c8ce9f89dfe191b146fca [0,2,0,0,0,0|1,0,0]=3 358 B8R0.16 CCN(CF)CC(=O)O 1572f10e4b030a4a402c19f513bf28bb [0,2,0,0,0,0|1,0,0]=3 359 B8R0.16 CCN(CO)CC(=O)O af04d4435f9e87502f4960e4fa163dc7 [0,2,0,0,0,0|1,0,0]=3 360 B8R0.19 C=C(C#N)CN(C)CC a4fc91dae1b5b1129e212edf18ed0f3b [0,2,0,0,0,0|1,0,1]=4 361 B8R0.19 C=C(CC)CN(C)CC a5edac56bd516c3e08abe80274b2ef4e [0,2,0,0,0,0|2,0,0]=4 362 B8R0.19 C=C(CN(C)CC)OC ae7aed41eaced6b8d6d4f4656a97dade [0,2,0,0,0,0|1,0,1]=4 363 B8R0.19 C=C(CO)CN(C)CC 9c16b8a0e80d8cd55610766797cfa55c [0,2,0,0,0,0|1,0,1]=4 364 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,2,0,0,0,0|1,0,0]=3 365 B8R0.19 CCN(C)C/C(=C/Cl)/Cl 35026ec2ef88364e5f2edb0f392ee1ff [0,2,0,0,0,0|2,0,0]=4 366 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,2,0,0,0,0|0,0,0]=2 368 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,2,0,0,0,0|1,0,0]=3 369 B8R0.19 CNC(=O)CN(C)C=O 182361f0200c9026118bb2e6708907e3 [0,2,0,0,0,0|0,0,1]=3 370 B8R0.19 CNC(=O)CN(C)CF c4335c7de1ec7a5bdf4619e54da80079 [0,2,0,0,0,0|0,0,0]=2 371 B8R0.19 CNC(=O)CN(C)CO 5e5aacc592b2dd5b7a781dd38b53445b [0,2,0,0,0,0|0,0,0]=2 372 B8R0.19 COC(=O)CN(C)C=O 943cc5729a7d321dfa7dcb2f4fa86c17 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.19 COC(=O)CN(C)CF 315bad3552c61e9bc012d524d408a643 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.19 COC(=O)CN(C)CO ead5047548ab9512878dca6e9fed3e38 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.24 CCN(C)CS(=O)(=O)C 8b03fecdc46398064987fc89f87828a9 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.24 CCN(C)CS(=O)(=O)S 22230c07353683a467b7d971abcaf63b [0,2,0,0,0,0|2,0,0]=4 377 B8R0.24 CN(CF)CS(=O)(=O)S b6b244a978865502c878c2dfe373376a [0,2,0,0,0,0|2,0,0]=4 378 B8R0.24 CN(CO)CS(=O)(=O)S 6f5f594c1d53e9d5ce1535318f5d69af [0,2,0,0,0,0|2,0,0]=4 379 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [1,0,0,1,0,0|2,0,0]=4 380 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,0,0,1,0,1|2,0,0]=4 381 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,0,0,1,0,1|2,0,0]=4 382 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,0,0,1,0,1|2,0,0]=4 383 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,0,0,1,0,1|2,0,0]=4 384 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,0,0,1,0,1|1,0,0]=3 385 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,0,0,1,0,1|1,0,0]=3 386 B8R1.35 NC(=S)COC1CC1 6be25ed37cf29dfd01fc062a3dfbdc9f [0,0,0,1,0,1|1,1,0]=4 387 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,0,1,0,1|2,0,0]=4 388 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,0,1,0,1|2,0,0]=4 389 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,0,0,1,0,1|2,0,0]=4 390 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,1,0,1,0,0|0,0,0]=2 391 B8R1.1 CN1CCN(C1)C=O 8b7db25ff5974733ece4d3fc3a4817d7 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,1,0,1,0,0|0,0,0]=2 393 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,1,0,1,0,0|0,0,0]=2 394 B8R1.34 C=C(Br)CN1CCC1 7d3a102b87bb1acf8da9022a99ebcbd5 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.34 C=C(C)CN1CCC1 19d6aea172318893485802428f6f2b52 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.34 C=C(Cl)CN1CCC1 6c2deac25cc4e1ee5b95bcb9cd622604 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.34 C=C(F)CN1CCC1 fe164e55c21cafabdc640e829c7e1a4f [0,1,0,1,0,0|2,0,0]=4 398 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,1,0,1,0,0|0,0,0]=2 399 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,1,0,1,0,0|1,0,0]=3 400 B8R1.34 O=[N+]([O-])CN1CCC1 18e2c74ccfcdc6627c3c54edac6e5c7b [0,1,0,1,0,0|2,0,0]=4 401 B8R0.28 C=C(Br)CNCN(C)C 737bcafdb6488e390a14dc4780a6f0d4 [0,0,0,0,0,2|2,0,0]=4 402 B8R0.28 C=C(Br)COCN(C)C 3d7941443c79f4047a030db254ba9282 [0,0,0,0,0,2|2,0,0]=4 403 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,0,0,0,0,2|1,0,1]=4 404 B8R0.28 C=C(C)CNCN(C)C bd8d3ecb05e7272c6d776cc910168f61 [0,0,0,0,0,2|2,0,0]=4 405 B8R0.28 C=C(C)COCC(=O)N 2e0576688aeeb2ae46f807ab3429eaee [0,0,0,0,0,2|1,0,1]=4 406 B8R0.28 C=C(C)COCN(C)C d03b32e0b707db0af4f8cc8a5d86f7bf [0,0,0,0,0,2|2,0,0]=4 407 B8R0.28 C=C(Cl)COCN(C)C 4cd7ede3e8e4255ad52cac62cab3f6ed [0,0,0,0,0,2|2,0,0]=4 408 B8R0.28 C=C(F)COCN(C)C 6996a5089ff4c87d15052336439d8df9 [0,0,0,0,0,2|2,0,0]=4 409 B8R0.28 C=C(I)COCN(C)C 715ac345a44ba90bd5f14695612b838a [0,0,0,0,0,2|2,0,0]=4 410 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,0,0,0,0,2|2,0,0]=4 411 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,0,0,0,0,2|2,0,0]=4 412 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,0,0,0,0,2|2,0,0]=4 413 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,0,0,0,0,2|1,0,0]=3 414 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,0,0,0,0,2|2,0,0]=4 415 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,0,0,0,0,2|2,0,0]=4 416 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,0,0,0,0,2|1,0,0]=3 417 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,0,0,0,0,2|2,0,0]=4 418 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,0,0,0,0,2|2,0,0]=4 419 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,0,0,0,0,2|2,0,0]=4 420 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,0,0,0,0,2|1,0,0]=3 421 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,0,0,0,0,2|2,0,0]=4 422 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,0,0,0,0,2|2,0,0]=4 423 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,0,0,0,0,2|1,0,0]=3 424 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,0,0,0,0,2|2,0,0]=4 425 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,0,0,0,0,2|1,0,0]=3 426 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,0,0,0,0,2|2,0,0]=4 427 B8R0.28 CC(C)COCC(=S)N 55b2e4b0740851f871d2f97589a87dae [0,0,0,0,0,2|1,1,0]=4 428 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,0,0,0,0,2|1,0,0]=3 429 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,0,0,0,0,2|2,0,0]=4 430 B8R0.28 CC(C)NCCC(=S)N dd4f1fea922619b4f6e264931f2d243c [0,0,0,0,0,2|1,1,0]=4 431 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,0,0,0,0,2|1,0,0]=3 432 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,0,0,0,0,2|2,0,0]=4 433 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,0,0,0,0,2|1,0,0]=3 434 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,0,0,0,0,2|1,0,0]=3 435 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,0,0,0,0,2|2,0,0]=4 436 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,0,0,0,0,2|2,0,0]=4 437 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,0,0,0,0,2|2,0,0]=4 438 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,0,0,0,0,2|0,0,0]=2 439 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,0,0,0,0,2|1,0,0]=3 440 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,0,0,0,0,2|0,0,0]=2 441 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,0,0,0,0,2|1,0,0]=3 442 B8R0.28 CN(C)COCC(=S)N b505f7d05decd7dbf17e364c97c1bfcc [0,0,0,0,0,2|0,1,0]=3 443 B8R0.28 CN(C)COCS(=O)O 31b80e781d9b95ad4f23dc71b05264ed [0,0,0,0,0,2|2,0,0]=4 444 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,0,0,0,0,2|2,0,0]=4 445 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,0,0,0,0,2|2,0,0]=4 446 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,0,0,0,0,2|2,0,0]=4 447 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,0,0,0,0,2|2,0,0]=4