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3dffa8d1b413bae459ea6e9776898d1a [0,0,1,0,0,0|2,0,1]=4 13 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [0,0,1,0,0,0|2,0,1]=4 14 B7R0.3 C#C[C@@H](C)OCC=O e5dc09536c65fde58fa0a450d6db7a37 [0,0,1,0,0,0|2,0,1]=4 15 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [0,0,1,0,0,0|2,0,1]=4 16 B7R0.3 C#C[C@H](C)OCC=O 0416c8a6869357496f6fa27d6441617b [0,0,1,0,0,0|2,0,1]=4 17 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [0,0,1,0,0,0|1,0,2]=4 18 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,0,1,0,0,0|2,0,0]=3 19 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,0,1,0,0,0|3,0,0]=4 20 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,0,1,0,0,0|3,0,0]=4 21 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,0,1,0,0,0|3,0,0]=4 22 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,0,1,0,0,0|3,0,0]=4 23 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,0,1,0,0,0|3,0,0]=4 24 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,0,1,0,0,0|2,0,0]=3 25 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,0,1,0,0,0|3,0,0]=4 26 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,0,1,0,0,0|3,0,0]=4 27 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,0,1,0,0,0|3,0,0]=4 28 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,0,1,0,0,0|3,0,0]=4 29 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,0,1,0,0,0|2,0,0]=3 30 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,0,1,0,0,0|2,0,0]=3 31 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [0,0,1,0,0,0|2,0,0]=3 33 B7R0.3 C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,0,1,0,0,0|3,0,0]=4 35 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [0,0,1,0,0,0|2,0,0]=3 36 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,0,1,0,0,0|3,0,0]=4 37 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,0,1,0,0,0|2,0,0]=3 38 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [0,0,1,0,0,0|2,0,1]=4 39 B7R0.3 CC(C=O)NCC#N 127301cbe7cdf76d3d0981fbc706d46e [0,0,1,0,0,0|2,0,1]=4 40 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,0,1,0,0,0|2,0,1]=4 41 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,0,1,0,0,0|2,0,1]=4 42 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,0,1,0,0,0|2,0,1]=4 43 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,0,1,0,0,0|1,0,2]=4 44 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,0,1,0,0,0|1,1,1]=4 45 B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [0,0,1,0,0,0|2,0,1]=4 46 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,0,1,0,0,0|1,0,0]=2 47 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,0,1,0,0,0|2,0,1]=4 48 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,0,1,0,0,0|1,1,1]=4 49 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,0,1,0,0,0|2,0,1]=4 50 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,0,1,0,0,0|1,0,2]=4 51 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,0,1,0,0,0|1,0,2]=4 52 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,0,1,0,0,0|1,1,1]=4 53 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,0,1,0,0,0|2,0,1]=4 54 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,0,1,0,0,0|2,0,1]=4 55 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,0,1,0,0,0|2,0,1]=4 56 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,0,1,0,0,0|2,0,0]=3 57 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,0,1,0,0,0|1,0,0]=2 58 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,0,1,0,0,0|2,0,1]=4 59 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,0,1,0,0,0|2,0,1]=4 60 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,0,1,0,0,0|1,0,2]=4 61 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,0,1,0,0,0|1,1,1]=4 62 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,0,1,0,0,0|2,0,1]=4 63 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,0,1,0,0,0|2,0,1]=4 64 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,0,1,0,0,0|2,0,1]=4 65 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,0,1,0,0,0|2,0,1]=4 66 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,0,1,0,0,0|2,0,1]=4 67 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,0,1,0,0,0|3,0,0]=4 68 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,0,1,0,0,0|2,0,1]=4 69 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,0,1,0,0,0|3,0,0]=4 70 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,0,1,0,0,0|3,0,0]=4 71 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,0,1,0,0,0|3,0,0]=4 72 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,0,1,0,0,0|2,0,1]=4 73 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,0,1,0,0,0|3,0,0]=4 74 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,0,1,0,0,0|3,0,0]=4 75 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 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32037413a41facbb9dd3661f525eb476 [0,0,1,0,0,0|1,0,2]=4 101 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,0,1,0,0,0|1,0,2]=4 102 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,0,1,0,0,0|1,1,1]=4 103 B7R0.3 N#CCNC(=O)C=O c6fce877e18e188e69982d83ed1aa681 [0,0,1,0,0,0|2,0,1]=4 104 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,0,1,0,0,0|2,0,0]=3 105 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,0,1,0,0,0|2,0,0]=3 106 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,0,1,0,0,0|2,0,0]=3 108 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,0,1,0,0,0|2,0,0]=3 109 B7R0.10 C#CC(=O)N(C)CC 4f67029623c6e5ee152bff61a129616e [0,0,1,0,0,0|2,0,1]=4 110 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,0,1,0,0,0|2,0,0]=3 111 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [0,0,1,0,0,0|3,0,0]=4 112 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,0,1,0,0,0|2,0,0]=3 113 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,0,1,0,0,0|2,0,0]=3 114 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,0,1,0,0,0|1,0,0]=2 115 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,0,1,0,0,0|2,0,1]=4 116 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,0,1,0,0,0|1,0,2]=4 117 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,0,1,0,0,0|1,1,1]=4 118 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [0,0,1,0,0,0|3,0,0]=4 121 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [0,0,1,0,0,0|3,0,0]=4 122 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,0,1,0,0,0|2,0,0]=3 123 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [1,0,1,0,0,0|2,0,0]=4 125 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [1,0,1,0,0,0|1,0,1]=4 126 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [1,0,1,0,0,0|1,0,0]=3 129 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,0,1,0,0,0|1,0,1]=4 130 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,0,1,0,0,0|1,0,1]=4 131 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [1,0,1,0,0,0|1,0,1]=4 132 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [1,0,1,0,0,0|1,0,0]=3 133 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [1,0,1,0,0,0|1,0,0]=3 134 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [1,0,1,0,0,0|2,0,0]=4 135 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,0,1,0,0,0|1,0,1]=4 136 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [1,0,1,0,0,0|2,0,0]=4 138 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,0,1,0,0,0|1,0,1]=4 141 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,1,0,0,0|2,0,0]=4 142 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,1,0,0,0|2,0,0]=4 143 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,0,1,0,0,0|2,0,0]=4 144 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,0,1,0,0,0|2,0,0]=4 145 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,0,1,0,0,0|2,0,0]=4 146 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,0,1,0,0,0|1,0,1]=4 147 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,0,1,0,0,0|1,0,1]=4 148 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,0,1,0,0,0|1,0,1]=4 149 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,0,1,0,0,0|1,0,1]=4 150 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,1,0,0,0|1,0,1]=4 151 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,1,0,0,0|1,0,1]=4 152 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,1,0,0,0|1,0,1]=4 154 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,1,0,0,0|1,0,1]=4 155 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,1,0,0,0|2,0,0]=4 156 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,1,0,0,0|1,0,1]=4 157 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,0,1,0,0,0|1,0,1]=4 158 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,0,1,0,0,0|1,0,1]=4 159 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,1,0,0,0|2,0,0]=4 160 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,1,0,0,0|2,0,0]=4 161 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,1,0,0,0|2,0,0]=4 163 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,1,0,0,0|2,0,0]=4 164 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,1,0,0,0|1,0,0]=3 165 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,1,0,0,0|1,0,1]=4 166 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,1,0,0,0|1,0,1]=4 167 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,0,1,0,0,0|2,0,0]=4 168 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,1,0,0,0|1,0,1]=4 170 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,0,1,0,0,0|2,0,0]=4 171 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,0,1,0,0,0|2,0,0]=4 172 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,0,1,0,0,0|2,0,0]=4 173 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,0,1,0,0,0|2,0,0]=4 174 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [1,0,1,0,0,0|2,0,0]=4 175 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,0,1,0,0,0|1,0,1]=4 176 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,1,1,0,0,0|2,0,0]=4 177 B8R0.1 C/C=C/C(C)OCC=O 3c462d15fec3dcb51b9371f8065dab9e [0,1,1,0,0,0|2,0,0]=4 178 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,1,1,0,0,0|2,0,0]=4 179 B8R0.1 C=CCC(C)OCC=O 805d006448d647b16a227c84124f8a54 [0,1,1,0,0,0|2,0,0]=4 180 B8R0.1 C=CCCN(C)CC=O b6583e7bc93735d44a280421bb97021c [0,1,1,0,0,0|2,0,0]=4 181 B8R0.1 C=CCN(C)CCC=O 342d88422510b840605a3009ff48b522 [0,1,1,0,0,0|2,0,0]=4 182 B8R0.1 C=CC[C@@H](C)OCC=O a0e388fab32588efe0b0ae569bdc0661 [0,1,1,0,0,0|2,0,0]=4 183 B8R0.1 C=CC[C@H](C)OCC=O b16f0951e117256fa250913579de0fe1 [0,1,1,0,0,0|2,0,0]=4 184 B8R0.1 CC(CCCO)NC=O 15bbe5f218049b8debf6ff63d25de29f [0,1,1,0,0,0|0,0,2]=4 185 B8R0.1 CC=CC(C)OCC=O afa81202fb8927469e80733dc589551c [0,1,1,0,0,0|2,0,0]=4 186 B8R0.1 CCCCC(=O)NC#N 2fe7c425eb1622681eebf36d3ea640ff [0,1,1,0,0,0|1,0,1]=4 187 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [0,1,1,0,0,0|1,0,1]=4 188 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [0,1,1,0,0,0|2,0,0]=4 189 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [0,1,1,0,0,0|1,0,1]=4 190 B8R0.1 CCCNC(=O)/C=C/Br b1926545c958d5233a97eecf45ef793e [0,1,1,0,0,0|2,0,0]=4 191 B8R0.1 CCCNC(=O)/C=C/Cl 5d162a53ee9ec44c434e097fbf07a78f [0,1,1,0,0,0|2,0,0]=4 192 B8R0.1 CCCNC(=O)/C=C/I 3483980bedd76cbe76739ba0675640bc [0,1,1,0,0,0|2,0,0]=4 193 B8R0.1 CCCNC(=O)/C=C\Br 587063f23ad9d4c3a5d091f654b1750d [0,1,1,0,0,0|2,0,0]=4 194 B8R0.1 CCCNC(=O)/C=C\Cl 80de1f593bb86fc7c7361689ff20ca17 [0,1,1,0,0,0|2,0,0]=4 195 B8R0.1 CCCNC(=O)/C=C\I 30402a319b6c1a883b3206c216549b42 [0,1,1,0,0,0|2,0,0]=4 196 B8R0.1 CCCNC(=O)C=CBr 9a0fc142e13566664539b9eb458de53b [0,1,1,0,0,0|2,0,0]=4 197 B8R0.1 CCCNC(=O)C=CI 68a3e0e9c9707da402b670771198154c [0,1,1,0,0,0|2,0,0]=4 198 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,1,1,0,0,0|1,0,0]=3 199 B8R0.1 C[C@H](CCCO)NC=O 76787ce64f2b79059513d880ee57c0da [0,1,1,0,0,0|0,0,2]=4 200 B8R0.1 O=CCC(=O)NCCBr 8b1b2be7d6ffc84641a1c6691a60af35 [0,1,1,0,0,0|2,0,0]=4 201 B8R0.1 O=CCC(=O)NCCF 4ea801c19e9d5e221b09c0d94e9d22d6 [0,1,1,0,0,0|2,0,0]=4 202 B8R0.1 O=CCC(=O)NCCI 5e46bfbd499e49eb692800cabe7dbb38 [0,1,1,0,0,0|2,0,0]=4 203 B8R0.1 O=CCC(=O)NCCO f600ea136456fb823bf20010f6243059 [0,1,1,0,0,0|2,0,0]=4 204 B8R0.1 O=CCC(=O)NCCS a557fd8735c6b5636e1772043f123e46 [0,1,1,0,0,0|2,0,0]=4 205 B8R0.3 C=CC(=O)N(C)CCC f05c81ec6e4b8b88c210d66f3d63ec26 [0,1,1,0,0,0|2,0,0]=4 206 B8R0.3 C=CCN(C)C(C)C=O c2719ab2808271b10bfaf6e0b4a850f7 [0,1,1,0,0,0|2,0,0]=4 207 B8R0.3 C=CCN(C)[C@H](C)C=O 62face3ffac4893627b8d2c3246c9867 [0,1,1,0,0,0|2,0,0]=4 208 B8R0.3 CCCN(C)C(=O)C=O ae9046810fc57b836f1225fb4fa409a0 [0,1,1,0,0,0|1,0,0]=3 209 B8R0.3 CN(CCF)C(=O)C=O 2d4d6c036bfaae5cf5ff4b8af5585f86 [0,1,1,0,0,0|2,0,0]=4 210 B8R0.3 CN(CCO)C(=O)C=O c424f369a46eb37de0e242add0fa3921 [0,1,1,0,0,0|2,0,0]=4 211 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,1,1,0,0,0|1,0,1]=4 212 B8R0.6 C#CC(C)NCCC=O b9c5b6ba8cfb4703ce184973d7d00c34 [0,1,1,0,0,0|1,0,1]=4 213 B8R0.6 C#CC(C)OCCC=O b4f26efb44146120dac4c2f499518b75 [0,1,1,0,0,0|1,0,1]=4 214 B8R0.6 C#CCCNC(=O)C=O e9bf6e501e557dffa4e32772e34af582 [0,1,1,0,0,0|0,0,2]=4 215 B8R0.6 C#CCCNC(C)C=O ea754782fa55ced8189bbcc7eaa92b40 [0,1,1,0,0,0|1,0,1]=4 216 B8R0.6 C#CCCN[C@H](C)C=O eb1b7b635f9c185e8e4fe6309fe8ab77 [0,1,1,0,0,0|1,0,1]=4 217 B8R0.6 C#CCCOC(C)C=O 6d0394650a52cdfe9e130a150fee6f84 [0,1,1,0,0,0|1,0,1]=4 218 B8R0.6 C#CCCO[C@H](C)C=O ba4c2f460be01a31770f9ee439a60bc0 [0,1,1,0,0,0|1,0,1]=4 219 B8R0.6 C#C[C@@H](C)NCCC=O b812c862625c4e6478a179cd48b74fa0 [0,1,1,0,0,0|1,0,1]=4 220 B8R0.6 C#C[C@@H](C)OCCC=O 1b5d14ca063cbe7e9022b4c05ac12aee [0,1,1,0,0,0|1,0,1]=4 221 B8R0.6 C#C[C@H](C)NCCC=O 60f4e36e697fd4ebabd9745a90d09b82 [0,1,1,0,0,0|1,0,1]=4 222 B8R0.6 C#C[C@H](C)OCCC=O 69494d0b919c0bc0fbbc271ade219f3c [0,1,1,0,0,0|1,0,1]=4 223 B8R0.6 C/C(=C\I)/COCC=O d24ecd4e9d90b27c0cfbb39972f8ce8c [0,1,1,0,0,0|1,0,1]=4 224 B8R0.6 C/C=C/COC(C)C=O fa131e4f23e9c9657b7f6224894d03d7 [0,1,1,0,0,0|1,0,1]=4 225 B8R0.6 C/C=C/CO[C@H](C)C=O 72678772068428946892afa70dba2cac [0,1,1,0,0,0|1,0,1]=4 226 B8R0.6 C/C=C\COC(C)C=O 0c0befa84e3b57906471d374030127b5 [0,1,1,0,0,0|1,0,1]=4 227 B8R0.6 C/C=C\CO[C@H](C)C=O 8d26d4e9027cf2c34d2202ac82180bcf [0,1,1,0,0,0|1,0,1]=4 228 B8R0.6 C=C(C=O)OCCC=O 03e3b0f30dff9e6e201239f7fce37dcd [0,1,1,0,0,0|0,0,2]=4 229 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,1,1,0,0,0|1,0,0]=3 230 B8R0.6 C=C(C=O)OCCCF 0eb811d6f95a63d3bfd1c30c0420353a [0,1,1,0,0,0|2,0,0]=4 231 B8R0.6 C=C(C=O)OCCCS f4c5b5b4eb066d1dde7e640ae8b83d6c [0,1,1,0,0,0|2,0,0]=4 232 B8R0.6 C=C(C=O)OCCOC 8adae63bd2505248918f320832a88b6d [0,1,1,0,0,0|2,0,0]=4 233 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,1,1,0,0,0|2,0,0]=4 234 B8R0.6 C=C(C=O)OCOCC a43dcefe7b49a952ac6bc79bdf8dad34 [0,1,1,0,0,0|2,0,0]=4 235 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,1,1,0,0,0|1,0,0]=3 236 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,1,1,0,0,0|2,0,0]=4 237 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,1,1,0,0,0|2,0,0]=4 238 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,1,1,0,0,0|2,0,0]=4 239 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,1,1,0,0,0|2,0,0]=4 240 B8R0.6 C=CC(=O)NCOCC a3acdb74bd061db7f0f50fdf176f3404 [0,1,1,0,0,0|2,0,0]=4 241 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [0,1,1,0,0,0|1,0,0]=3 242 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [0,1,1,0,0,0|1,0,0]=3 243 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,1,1,0,0,0|1,0,0]=3 244 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [0,1,1,0,0,0|2,0,0]=4 245 B8R0.6 C=CCCCN(C)C=O d5e163454d96a5cac685f2316e8ed7d5 [0,1,1,0,0,0|2,0,0]=4 246 B8R0.6 C=CCCNC(=O)C=O 23097845b717dd837d809bf208462661 [0,1,1,0,0,0|0,0,2]=4 247 B8R0.6 C=CCCNC(C)C=C 179131ef32d265cc53bf24485b5dc8f2 [0,1,1,0,0,0|2,0,0]=4 248 B8R0.6 C=CCCNC(C)C=O 7dacb78bf89ffaf9ebc02f1a6b584ebc [0,1,1,0,0,0|1,0,0]=3 249 B8R0.6 C=CCCN[C@H](C)C=O dfd9cd749dbab5a4cf001a3d7fe8d25c [0,1,1,0,0,0|1,0,0]=3 250 B8R0.6 C=CCCOC(C)C=C 91a0dff969d2c8970d5b63def8a13bb6 [0,1,1,0,0,0|2,0,0]=4 251 B8R0.6 C=CCCOC(C)C=O d89bf43d83f4e504ad136803d884ddc7 [0,1,1,0,0,0|1,0,0]=3 252 B8R0.6 C=CCCO[C@@H](C)C=C 56271c33fd2bf9c171b07a61fece43cc [0,1,1,0,0,0|2,0,0]=4 253 B8R0.6 C=CCCO[C@H](C)C=O 37010ca691c058fe96201b55449e1382 [0,1,1,0,0,0|1,0,0]=3 254 B8R0.6 C=CCOCC(C)C=C 5db5d2f554c677cc7c48ba3eef3d0aaa [0,1,1,0,0,0|2,0,0]=4 255 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,1,1,0,0,0|1,0,0]=3 256 B8R0.6 CC#CCNC(=O)C=O 18043b6764c6c40cc4161ee1254a0704 [0,1,1,0,0,0|0,0,2]=4 257 B8R0.6 CC(=CI)COCC=O 8c68d906ad094a22395e991c01c39108 [0,1,1,0,0,0|1,0,1]=4 258 B8R0.6 CC(C#N)CNCC=O 07dd87324302dc639b7e40a71a6d2b89 [0,1,1,0,0,0|1,0,1]=4 259 B8R0.6 CC(C#N)COCC=O bdc1cb68eac2034044d1af91bed9168f [0,1,1,0,0,0|1,0,1]=4 260 B8R0.6 CC(C#N)NCCC=O 17f5eafdd4ffc04728989125a0e2f64a [0,1,1,0,0,0|1,0,1]=4 261 B8R0.6 CC(C#N)OCCC=O 99235743f38a0ed59261f8b08a8ebe83 [0,1,1,0,0,0|1,0,1]=4 262 B8R0.6 CC(C=O)NCCC#N 62c8c25c0f52310b2f0562a74f5a7c89 [0,1,1,0,0,0|1,0,1]=4 263 B8R0.6 CC(C=O)NCCCCl 0d8db3a83469f62234c1856a431acaf4 [0,1,1,0,0,0|1,0,1]=4 264 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,1,1,0,0,0|0,0,2]=4 265 B8R0.6 CC(C=O)NCCON 74e37fbd94732254048517739053fcdc [0,1,1,0,0,0|2,0,0]=4 266 B8R0.6 CC(C=O)OC/C=C/Cl 56d591fa2f43f9557b51c1b3e8e078de [0,1,1,0,0,0|1,0,1]=4 267 B8R0.6 CC(C=O)OC/C=C\Cl b9ccdab87911bd60bb11df462d8fbb33 [0,1,1,0,0,0|1,0,1]=4 268 B8R0.6 CC(C=O)OCC=CCl 6d415b733bc2a4b1c6963a4406c5905c [0,1,1,0,0,0|1,0,1]=4 269 B8R0.6 CC(C=O)OCCC#N 7afeaf47c6151f74950b75e9bb192784 [0,1,1,0,0,0|1,0,1]=4 270 B8R0.6 CC(C=O)OCCC=O 33ed4daad58f2a66394ebc2ecb1ab8c7 [0,1,1,0,0,0|0,0,0]=2 271 B8R0.6 CC(C=O)OCCCF 408a8a894fa836110edbe4772bda1c05 [0,1,1,0,0,0|1,0,1]=4 272 B8R0.6 CC(C=O)OCCCS 1b21635ff592fc3c755d4caa250cdcb4 [0,1,1,0,0,0|0,1,1]=4 273 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,1,1,0,0,0|1,0,1]=4 274 B8R0.6 CC(CO)CCNC=O 39cb296f33f08cf60badb1105cd0e264 [0,1,1,0,0,0|0,0,2]=4 275 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,1,1,0,0,0|0,0,2]=4 276 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,1,1,0,0,0|0,0,2]=4 277 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,1,1,0,0,0|0,1,1]=4 278 B8R0.6 CC=CCNC(=O)C=O 2619bd06651b9bd7fad594d339b07422 [0,1,1,0,0,0|0,0,2]=4 279 B8R0.6 CC=CCNC(C)C=O 91835a46141d208cf4a38dbda5acfa3b [0,1,1,0,0,0|1,0,1]=4 280 B8R0.6 CC=CCN[C@H](C)C=O 3de25320dcc5b60b7ab82c87a4cf69d7 [0,1,1,0,0,0|1,0,1]=4 281 B8R0.6 CC=CCOC(C)C=O 3d8a3f728c7148d7fc326eca893206e0 [0,1,1,0,0,0|1,0,1]=4 282 B8R0.6 CC=CCO[C@H](C)C=O a976498a0880bb231380bbb58cfae4a2 [0,1,1,0,0,0|1,0,1]=4 283 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,1,1,0,0,0|1,0,1]=4 284 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,1,1,0,0,0|1,0,1]=4 285 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,1,1,0,0,0|1,0,1]=4 286 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,1,1,0,0,0|1,0,1]=4 287 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,1,1,0,0,0|1,0,1]=4 288 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,1,1,0,0,0|2,0,0]=4 289 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,1,1,0,0,0|0,0,0]=2 290 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,1,1,0,0,0|1,0,1]=4 291 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,1,1,0,0,0|1,0,1]=4 292 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,1,1,0,0,0|0,0,2]=4 293 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,1,1,0,0,0|0,1,1]=4 294 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,1,1,0,0,0|1,0,1]=4 295 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,1,1,0,0,0|1,0,1]=4 296 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,1,1,0,0,0|1,0,1]=4 297 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,1,1,0,0,0|1,0,1]=4 298 B8R0.6 CCCNC/C(=C/Cl)/Cl f1f7c339e4b876083db2ade75f21e5c2 [0,1,1,0,0,0|2,0,0]=4 299 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,1,1,0,0,0|1,0,1]=4 300 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,1,1,0,0,0|0,0,2]=4 301 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,1,1,0,0,0|2,0,0]=4 302 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,1,1,0,0,0|1,0,1]=4 303 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,1,1,0,0,0|2,0,0]=4 304 B8R0.6 CCCOC/C(=C/Cl)/Cl a465139a0b7ab6d0987e779c3247a97c [0,1,1,0,0,0|2,0,0]=4 305 B8R0.6 CCCOC/C(=C/I)/C dc8f9e85d6578ff08977a63eedf944cc [0,1,1,0,0,0|2,0,0]=4 306 B8R0.6 CCCOCC(=CI)C b3b55d96dd2a298243d83d73d18b42c8 [0,1,1,0,0,0|2,0,0]=4 307 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,1,1,0,0,0|1,0,1]=4 308 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,1,1,0,0,0|2,0,0]=4 309 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,1,1,0,0,0|2,0,0]=4 310 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,1,1,0,0,0|2,0,0]=4 311 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,1,1,0,0,0|1,0,1]=4 312 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,1,1,0,0,0|2,0,0]=4 313 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,1,1,0,0,0|2,0,0]=4 314 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,1,1,0,0,0|2,0,0]=4 315 B8R0.6 CCOCCN(C)C=O 150e28d8c1b8a1d219f5e81a871d89a8 [0,1,1,0,0,0|2,0,0]=4 316 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,1,1,0,0,0|1,0,1]=4 317 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,1,1,0,0,0|1,0,1]=4 318 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,1,1,0,0,0|1,0,1]=4 319 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,1,1,0,0,0|1,0,1]=4 320 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,1,1,0,0,0|1,0,1]=4 321 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,1,1,0,0,0|1,0,1]=4 322 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,1,1,0,0,0|1,0,1]=4 323 B8R0.6 CN(C=O)CCCCO 7f619f7f07602d0a1e936e8e17f35450 [0,1,1,0,0,0|2,0,0]=4 324 B8R0.6 COC(C)COCC=O d60b36a618df9b4241244f9566ecdc5f [0,1,1,0,0,0|2,0,0]=4 325 B8R0.6 COCCCN(C)C=O 2dd2589e4563c98a7952d017ac8fb720 [0,1,1,0,0,0|2,0,0]=4 326 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,1,1,0,0,0|1,0,0]=3 327 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,1,1,0,0,0|2,0,0]=4 328 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,1,1,0,0,0|2,0,0]=4 329 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,1,1,0,0,0|2,0,0]=4 330 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,1,1,0,0,0|2,0,0]=4 331 B8R0.6 CO[C@@H](C)CNCC=O 2b4a7e30da32bc7234bd11589f11e153 [0,1,1,0,0,0|2,0,0]=4 332 B8R0.6 CO[C@@H](C)COCC=O 07ee3a6b4ceb80665f98c8f198456fc5 [0,1,1,0,0,0|2,0,0]=4 333 B8R0.6 CO[C@H](C)CNCC=O 7ca0dc6a01650113664fa48ed0e0ea51 [0,1,1,0,0,0|2,0,0]=4 334 B8R0.6 CO[C@H](C)COCC=O 8da8ed3e6726a83c5f05e475965abd23 [0,1,1,0,0,0|2,0,0]=4 335 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,1,1,0,0,0|1,0,0]=3 336 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,1,1,0,0,0|2,0,0]=4 337 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,1,1,0,0,0|2,0,0]=4 338 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,1,1,0,0,0|2,0,0]=4 339 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,1,1,0,0,0|2,0,0]=4 340 B8R0.6 C[C@@H](CO)CCNC=O 3feffe28caaaf0dbda7fb0990299be3b [0,1,1,0,0,0|0,0,2]=4 341 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,1,1,0,0,0|0,0,2]=4 342 B8R0.6 C[C@H](C=O)NCCC#N efcafa617aed5d65bd0b18abc94bad42 [0,1,1,0,0,0|1,0,1]=4 343 B8R0.6 C[C@H](C=O)NCCCCl c9aa0b7b106e210f3da0b2a7b7b494b0 [0,1,1,0,0,0|1,0,1]=4 344 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,1,1,0,0,0|0,0,2]=4 345 B8R0.6 C[C@H](C=O)NCCON 5f36436e9f2e76846c3319840ed43a3d [0,1,1,0,0,0|2,0,0]=4 346 B8R0.6 C[C@H](C=O)OC/C=C/Cl 1eb56d6e417cd8a1beacdb742f1b9656 [0,1,1,0,0,0|1,0,1]=4 347 B8R0.6 C[C@H](C=O)OCC=CCl 5640ca9961a6d89f96d4fba89fa37a7a [0,1,1,0,0,0|1,0,1]=4 348 B8R0.6 C[C@H](C=O)OCCC#N 4acfd2696f9ab4623946b701bc5066cf [0,1,1,0,0,0|1,0,1]=4 349 B8R0.6 C[C@H](C=O)OCCC=O 87e4ed47a9b86d975af2139f6b104017 [0,1,1,0,0,0|0,0,0]=2 350 B8R0.6 C[C@H](C=O)OCCCF bdc4dc4cbe2cde044d3c10a313632ac7 [0,1,1,0,0,0|1,0,1]=4 351 B8R0.6 C[C@H](C=O)OCCCS 9971ffaf5c0c56ccc1660bb6715f0a74 [0,1,1,0,0,0|0,1,1]=4 352 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,1,1,0,0,0|0,0,2]=4 353 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,1,1,0,0,0|0,0,2]=4 354 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,1,1,0,0,0|0,1,1]=4 355 B8R0.6 N#CCCNC(=O)C=O 92b2be929382eebf0729bd6959b1bae3 [0,1,1,0,0,0|1,0,1]=4 356 B8R0.6 NOCCNC(=O)C=O f5610ceeebf529895b18c2be26cd2513 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.6 O=CC(=O)NCCCCl 64f1b2357217366e1bf6fcb0b40fa18e [0,1,1,0,0,0|1,0,0]=3 358 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,1,1,0,0,0|1,0,0]=3 359 B8R0.8 C=C(Br)C(=O)NCCC 2837c9555b8dd6316a0bf9942b0335eb [0,1,1,0,0,0|2,0,0]=4 360 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,1,1,0,0,0|2,0,0]=4 361 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,1,1,0,0,0|2,0,0]=4 362 B8R0.8 C=C(Cl)C(=O)NCCC 7fabd2186cb29ffd4c2fa87ca91a4c93 [0,1,1,0,0,0|2,0,0]=4 363 B8R0.8 C=C(F)C(=O)NCCC 94823a38af8f5e8e7e73928fc821ff79 [0,1,1,0,0,0|2,0,0]=4 364 B8R0.8 C=CCCN(C)C(=O)C 851a28f530c13f40a194c5bcebcd03fc [0,1,1,0,0,0|2,0,0]=4 365 B8R0.8 C=CCNC(C)C(=O)N d23d3e7d17b048913bbef97e5f4447f5 [0,1,1,0,0,0|2,0,0]=4 366 B8R0.8 C=CCNC(C)C(=O)O 4027c27acb0fdf3aaf8b355f1a408423 [0,1,1,0,0,0|2,0,0]=4 367 B8R0.8 C=CCN[C@@H](C)C(=O)N 14e80c0d6381e9fde93b9866d76ae313 [0,1,1,0,0,0|2,0,0]=4 368 B8R0.8 C=CCN[C@@H](C)C(=O)O a2a3215161cedaeb69cecc40398800bc [0,1,1,0,0,0|2,0,0]=4 369 B8R0.8 C=CCN[C@H](C)C(=O)N eb3c3df88a54e711810c3aab2f1130f0 [0,1,1,0,0,0|2,0,0]=4 370 B8R0.8 C=CCN[C@H](C)C(=O)O 9c9e167784ec1fd5265aa094a42d05d8 [0,1,1,0,0,0|2,0,0]=4 371 B8R0.8 C=CCOC(C)C(=O)C 67a80f394e84cf94a6ded2477a1d988b [0,1,1,0,0,0|2,0,0]=4 372 B8R0.8 C=CCOC(C)C(=O)N 2c5104c1d37249d8a6858861948db0aa [0,1,1,0,0,0|2,0,0]=4 373 B8R0.8 C=CCOC(C)C(=O)O 950b3a8c28d6da5c53fb492d3fdc807b [0,1,1,0,0,0|2,0,0]=4 374 B8R0.8 C=CCO[C@@H](C)C(=O)N ace47d071d29c7c7c1633196643eb933 [0,1,1,0,0,0|2,0,0]=4 375 B8R0.8 C=CCO[C@@H](C)C(=O)O 25467a59582a2906ce4ce45146ee1287 [0,1,1,0,0,0|2,0,0]=4 376 B8R0.8 C=CCO[C@H](C)C(=O)N 1d420bc3401d279f525ddda584537dee [0,1,1,0,0,0|2,0,0]=4 377 B8R0.8 C=CCO[C@H](C)C(=O)O 0b91c4aaff97cd63715f015c1d0c9e20 [0,1,1,0,0,0|2,0,0]=4 378 B8R0.8 CC(=O)C(=O)NCCBr b951238298d8a5693ac2dc119d2a6125 [0,1,1,0,0,0|2,0,0]=4 379 B8R0.8 CC(=O)C(=O)NCCF f10a316fe81eca6c402987edef00d0b4 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.8 CC(=O)C(=O)NCCI 49a7fa58657568758ac0aac23ff45607 [0,1,1,0,0,0|2,0,0]=4 381 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,1,1,0,0,0|2,0,0]=4 382 B8R0.8 CC(=O)C(=O)NCCS 0e86c38b29bd2555c9be005ee65dd41e [0,1,1,0,0,0|2,0,0]=4 383 B8R0.8 CC(=O)C(C)OCC=O b74e7c61b80a0c717901ca8c420abcfa [0,1,1,0,0,0|1,0,0]=3 384 B8R0.8 CC(NCC=O)C(=O)N 1d42c305ffe98b6316c972cab7d333c6 [0,1,1,0,0,0|1,0,0]=3 385 B8R0.8 CC(NCC=O)C(=O)O 68b69b45ee2126dd65ee50d2916637e9 [0,1,1,0,0,0|1,0,0]=3 386 B8R0.8 CC(OCC=O)C(=O)N fb4af7c9278676830eac88903131ad15 [0,1,1,0,0,0|1,0,0]=3 387 B8R0.8 CC(OCC=O)C(=O)O f7d574d73325531577cc3be3ba579ff3 [0,1,1,0,0,0|1,0,0]=3 388 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,1,1,0,0,0|2,0,0]=4 389 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,1,0,0,0|1,0,0]=3 390 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,1,1,0,0,0|1,0,0]=3 391 B8R0.8 C[C@@H](NCC=O)C(=O)N 2d5a9db2ba27ee52295d46b8f6ba96f4 [0,1,1,0,0,0|1,0,0]=3 392 B8R0.8 C[C@@H](NCC=O)C(=O)O a9f70b757fe4612e75dea21e3835d008 [0,1,1,0,0,0|1,0,0]=3 393 B8R0.8 C[C@@H](OCC=O)C(=O)N e465ae40c93d3e47e6e818eeacdad913 [0,1,1,0,0,0|1,0,0]=3 394 B8R0.8 C[C@@H](OCC=O)C(=O)O ec661864679508fe308079c34ba0d948 [0,1,1,0,0,0|1,0,0]=3 395 B8R0.8 C[C@H](NCC=O)C(=O)N a2b63a020c9792264aa745567c78af14 [0,1,1,0,0,0|1,0,0]=3 396 B8R0.8 C[C@H](NCC=O)C(=O)O 8f3e3a2e655b122b5dbf67e5312baae9 [0,1,1,0,0,0|1,0,0]=3 397 B8R0.8 C[C@H](OCC=O)C(=O)N 57080ccd63218164a41db63cdd44c4c7 [0,1,1,0,0,0|1,0,0]=3 398 B8R0.8 C[C@H](OCC=O)C(=O)O 4ebe59700e459820040abe9c03f70752 [0,1,1,0,0,0|1,0,0]=3 399 B8R0.8 NC(=O)C(=O)NCCBr 759555cfe18ab185527b6dd88250fe2a [0,1,1,0,0,0|2,0,0]=4 400 B8R0.8 NC(=O)C(=O)NCCF 8d16443f3a53d655d6edb5a8c0f19f14 [0,1,1,0,0,0|2,0,0]=4 401 B8R0.8 NC(=O)C(=O)NCCI 0aa2ec4d4ec4da702777f87d741676b9 [0,1,1,0,0,0|2,0,0]=4 402 B8R0.8 NC(=O)C(=O)NCCO 10353f6c195c1dd5d3db75345c6400fc [0,1,1,0,0,0|2,0,0]=4 403 B8R0.8 NC(=O)C(=O)NCCS 1e7a32aeffd987cdf7d4d7b438dcfd82 [0,1,1,0,0,0|2,0,0]=4 404 B8R0.8 O=CCNC(O)C(=O)O 8520717b1a1e11d4c35b09a14aaf7e93 [0,1,1,0,0,0|2,0,0]=4 405 B8R0.9 C=C(Br)CNC(C)C=O 2fbfbb793b93ff6b0e261f38212d7457 [0,1,1,0,0,0|2,0,0]=4 406 B8R0.9 C=C(Br)CN[C@H](C)C=O 29634f2d540505adcf49d01c9a08f197 [0,1,1,0,0,0|2,0,0]=4 407 B8R0.9 C=C(Br)COC(C)C=O e03bc6e46fb6c96db1fff6380477e4d8 [0,1,1,0,0,0|2,0,0]=4 408 B8R0.9 C=C(Br)CO[C@H](C)C=O 402622f464aedc24693174d4e545ca3d [0,1,1,0,0,0|2,0,0]=4 409 B8R0.9 C=C(C)CNC(=O)C=O e25a86e0bb63ccbe7ba4554fc95b9a26 [0,1,1,0,0,0|1,0,1]=4 410 B8R0.9 C=C(C)CNC(C)C=O 6864833eef64092545ed538d146d6b7a [0,1,1,0,0,0|2,0,0]=4 411 B8R0.9 C=C(C)CN[C@H](C)C=O 869deecf92e107378a085fd913f387a7 [0,1,1,0,0,0|2,0,0]=4 412 B8R0.9 C=C(C)COC(C)C=O 9a3c8d62bdd90bdd5827ca99b4ce4ab3 [0,1,1,0,0,0|2,0,0]=4 413 B8R0.9 C=C(C)CO[C@H](C)C=O 9a4354173e487f7f7b1622a2df7e3a75 [0,1,1,0,0,0|2,0,0]=4 414 B8R0.9 C=C(C=O)OCC(C)C c5cdf695798fe36105735778dae3c7a0 [0,1,1,0,0,0|2,0,0]=4 415 B8R0.9 C=C(Cl)COC(C)C=O 7fc2dfd788e17040d8afa749651017c3 [0,1,1,0,0,0|2,0,0]=4 416 B8R0.9 C=C(Cl)CO[C@H](C)C=O ef2063f06d135755bcd3a24088dfeb2f [0,1,1,0,0,0|2,0,0]=4 417 B8R0.9 C=C(F)COC(C)C=O 37381ada1c1b5684abdff9c90dca5c37 [0,1,1,0,0,0|2,0,0]=4 418 B8R0.9 C=C(F)CO[C@H](C)C=O 63202cff5a592086af3fe024324e6812 [0,1,1,0,0,0|2,0,0]=4 419 B8R0.9 C=C(I)COC(C)C=O 24a5812b589ba77d908089110f666f19 [0,1,1,0,0,0|2,0,0]=4 420 B8R0.9 C=C(I)CO[C@H](C)C=O 02652454ffd55c894f8be507ebd07eeb [0,1,1,0,0,0|2,0,0]=4 421 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,1,1,0,0,0|2,0,0]=4 422 B8R0.9 C=CC(=O)NCC(C)O fa01455d59425b08f532ebd991dbb1af [0,1,1,0,0,0|2,0,0]=4 423 B8R0.9 C=CC(=O)NC[C@@H](C)O 60f11a39a2f100903af1f56f3c922ad0 [0,1,1,0,0,0|2,0,0]=4 424 B8R0.9 C=CC(=O)NC[C@H](C)O c21baab8154cbdc7ba440bfa062d6fdc [0,1,1,0,0,0|2,0,0]=4 425 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,1,1,0,0,0|2,0,0]=4 426 B8R0.9 C=CC(C)NCC(=O)N 8e99b62ce7b0cacfac123da3e0d44453 [0,1,1,0,0,0|2,0,0]=4 427 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,1,1,0,0,0|2,0,0]=4 428 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,1,1,0,0,0|2,0,0]=4 429 B8R0.9 C=CC(C)OCC(=O)N 0d06a7ddf76614144a3227f608d154b8 [0,1,1,0,0,0|2,0,0]=4 430 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,1,1,0,0,0|2,0,0]=4 431 B8R0.9 C=C[C@H](C)OCC(=O)N ba49805e8ed0d5d0e00a52526e184ffd [0,1,1,0,0,0|2,0,0]=4 432 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,1,1,0,0,0|2,0,0]=4 433 B8R0.9 CC(=O)CNC(=O)C=O e36f5c6f9913c25cdf6ac5993b0393a1 [0,1,1,0,0,0|1,0,1]=4 434 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,1,1,0,0,0|1,0,0]=3 435 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,1,1,0,0,0|1,0,0]=3 436 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,1,1,0,0,0|1,0,0]=3 437 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,1,1,0,0,0|1,0,0]=3 438 B8R0.9 CC(C)CCN(C)C=O 516a2a022cb88171d447755eeb173861 [0,1,1,0,0,0|2,0,0]=4 439 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,1,1,0,0,0|1,0,0]=3 440 B8R0.9 CC(C=O)NCC(=O)N 8e22627cfffb50e4ce2f26bd34026793 [0,1,1,0,0,0|1,0,0]=3 441 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,1,1,0,0,0|1,0,0]=3 442 B8R0.9 CC(C=O)OCC(=O)N e8fdf3bf6f6dfcc63a5ed65bb70bb389 [0,1,1,0,0,0|1,0,0]=3 443 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,1,1,0,0,0|1,0,0]=3 444 B8R0.9 CC(C=O)OCC(=S)N 17fcb6aed05c19bd27c85f051b29d01e [0,1,1,0,0,0|1,1,0]=4 445 B8R0.9 CC(C=O)OCS(=O)O 9f51c4b3c988e5d0280d7682a1bfd66e [0,1,1,0,0,0|2,0,0]=4 446 B8R0.9 CC(C=O)OC[N+](=O)[O-] 420a5186cde69e53703a0bd6c472d71e [0,1,1,0,0,0|2,0,0]=4 447 B8R0.9 CC(O)CCN(C)C=O 32af2d18851b8de7c2fbf9dc298410b8 [0,1,1,0,0,0|2,0,0]=4 448 B8R0.9 CC(O)CNC(=O)C=O a19c80ebbd3c5b0340f36c5c68b9e508 [0,1,1,0,0,0|1,0,0]=3 449 B8R0.9 CN(C=O)CCC(=O)N 90047bedb23fa37b5b4136a7076e845e [0,1,1,0,0,0|1,0,0]=3 450 B8R0.9 C[C@@H](O)CNC(=O)C=O 2603ee2d0f069eae7661384f7ee697eb [0,1,1,0,0,0|1,0,0]=3 451 B8R0.9 C[C@H](C=O)NCC(=O)N ef543a8173a46829d7a3deea97b641bf [0,1,1,0,0,0|1,0,0]=3 452 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,1,1,0,0,0|1,0,0]=3 453 B8R0.9 C[C@H](C=O)OCC(=O)N 0891ae8d42b8c64aeeb2a884817c9c4b [0,1,1,0,0,0|1,0,0]=3 454 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,1,1,0,0,0|1,0,0]=3 455 B8R0.9 C[C@H](C=O)OCC(=S)N 813c56be415ed3ab50fca7c8607053a7 [0,1,1,0,0,0|1,1,0]=4 456 B8R0.9 C[C@H](C=O)OCS(=O)O 8401cc1464dfb196cf10debf69a3f25d [0,1,1,0,0,0|2,0,0]=4 457 B8R0.9 C[C@H](O)CNC(=O)C=O 93688556993d21a2fc23a4f3acf54052 [0,1,1,0,0,0|1,0,0]=3 458 B8R0.9 O=CC(=O)NCC(F)F b13aac2bea1bbf6e20c654e0647c419b [0,1,1,0,0,0|2,0,0]=4 459 B8R0.11 C=CC(CC)OCC=O bcc08209503a879d155ff76cac2817f1 [0,1,1,0,0,0|2,0,0]=4 460 B8R0.11 C=C[C@@H](CO)NCC=O 96c62156ed48d64dc2a89031f5b19033 [0,1,1,0,0,0|2,0,0]=4 461 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,1,1,0,0,0|2,0,0]=4 462 B8R0.11 CCCNC(C=O)C=O 61c64ea3c5c386d29c1c97169c33ddfe [0,1,1,0,0,0|1,0,1]=4 463 B8R0.11 CCCOC(C=O)C=O 07af7786a553a96d7cd2f6465c693e9f [0,1,1,0,0,0|1,0,1]=4 464 B8R0.19 C=C(C=O)OC(C)C=O 6e9083411ab06f5ff102a1878674aff6 [0,1,1,0,0,0|1,0,1]=4 465 B8R0.19 C=C(C=O)OC(C)CC c5f7d9036a8fdea0d25979e46bb39add [0,1,1,0,0,0|2,0,0]=4 466 B8R0.19 C=C(C=O)O[C@H](C)C=O 3fdae7cafda354e38a1eb1ee59854785 [0,1,1,0,0,0|1,0,1]=4 467 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,1,1,0,0,0|2,0,0]=4 468 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,1,1,0,0,0|2,0,0]=4 469 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,1,1,0,0,0|2,0,0]=4 470 B8R0.19 C=CC(C)NC(C)C=O d8f597c784a2041960a60a9dc346cd97 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.19 C=CC(C)N[C@H](C)C=O adfed9aa775ef8e8e064edcb3c13e273 [0,1,1,0,0,0|2,0,0]=4 472 B8R0.19 C=CC(C)OC(C)C=O a14f8a144662325980f92a7e34f44b0b [0,1,1,0,0,0|2,0,0]=4 473 B8R0.19 C=CC(C)O[C@H](C)C=O e975c1c193e8cf59eee0e378968c8133 [0,1,1,0,0,0|2,0,0]=4 474 B8R0.19 C=C[C@H](C)OC(C)C=O a02b9a9621b22abf0486857e14467d72 [0,1,1,0,0,0|2,0,0]=4 475 B8R0.19 C=C[C@H](C)O[C@H](C)C=O 2397bf9740e727b553b1618d19461d4c [0,1,1,0,0,0|2,0,0]=4 476 B8R0.19 CC(C=O)OC(C)C=O 95c7b9290c1a444e5e83637cec5ccc39 [0,1,1,0,0,0|1,0,0]=3 477 B8R0.19 CC(C=O)O[C@H](C)C=O 4affa931f6303094ee9035f70a76deef [0,1,1,0,0,0|1,0,0]=3 478 B8R0.19 CC(CO)NC(=O)C=O 1c60e6f2c21701253617f70f64f6f106 [0,1,1,0,0,0|2,0,0]=4 479 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,1,1,0,0,0|1,0,0]=3 480 B8R0.19 CCC(O)CN(C)C=O a5ca11d122e7bb722666ea345a9e6e66 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,1,1,0,0,0|1,0,0]=3 482 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,1,1,0,0,0|1,0,0]=3 483 B8R0.19 C[C@@H](CO)NC(=O)C=O 7fc1349ef4b9354cd9836d7dba2b3f46 [0,1,1,0,0,0|2,0,0]=4 484 B8R0.19 C[C@H](CO)NC(=O)C=O b148bc237154c303bdab4997b908c1ee [0,1,1,0,0,0|2,0,0]=4 485 B8R0.2 C=C(Br)C(=O)N(C)CC 499ad51b72bc9fbfae6b7a8a6ef82289 [0,1,1,0,0,0|2,0,0]=4 486 B8R0.2 C=C(C)C(=O)N(C)CC 6ad58cb6364f07a649e141535260901d [0,1,1,0,0,0|2,0,0]=4 487 B8R0.2 C=C(Cl)C(=O)N(C)CC 68660d5b096ebe21061ad8093614bb89 [0,1,1,0,0,0|2,0,0]=4 488 B8R0.2 C=C(F)C(=O)N(C)CC c4e15bc9d415156035a5b26d7d6c9574 [0,1,1,0,0,0|2,0,0]=4 489 B8R0.2 C=CC(=O)N(C)C(C)C d4214d2e7c39dcf84b3e0ccce4689c6e [0,1,1,0,0,0|2,0,0]=4 490 B8R0.2 CC(C)C(C)N(C)C=O e32ec4d609cdef72cf76408a73ca2025 [0,1,1,0,0,0|2,0,0]=4 491 B8R0.2 CC(C)N(C)C(=O)C=O f20e6cf29c8294a4acacc246f7b2680e [0,1,1,0,0,0|1,0,0]=3 492 B8R0.2 CCC(=O)N(C)C(C)C 3feb699597734e703dbc4fe539ecb6bb [0,1,1,0,0,0|2,0,0]=4 493 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,1,1,0,0,0|2,0,0]=4 494 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,1,1,0,0,0|1,0,0]=3 495 B8R0.2 CCN(C)C(=O)C(=O)N 7875f40b4ff30daf1968926d7731bc9e [0,1,1,0,0,0|1,0,0]=3 496 B8R0.2 CCN(C)C(=O)C(C)F 19b9ff8d46076997b028bc3c05129e24 [0,1,1,0,0,0|2,0,0]=4 497 B8R0.2 CCN(C)C(=O)C(C)O a5352a247e4fbdbde43951bdd76212cf [0,1,1,0,0,0|2,0,0]=4 498 B8R0.2 CCN(C)C(=O)C(C)S 90f65a1dd234927c177aa83dd88742df [0,1,1,0,0,0|2,0,0]=4 499 B8R0.2 CCN(C)C(=O)[C@@H](C)F 98c85f2c98da43a1b0d0fc26fa39c6bb [0,1,1,0,0,0|2,0,0]=4 500 B8R0.2 CCN(C)C(=O)[C@@H](C)O c93f85b1b0b9a2ae0efa6c73e0a102c2 [0,1,1,0,0,0|2,0,0]=4 501 B8R0.2 CCN(C)C(=O)[C@H](C)F aea23cf9051deae31a359b32bf8bf1d7 [0,1,1,0,0,0|2,0,0]=4 502 B8R0.2 CCN(C)C(=O)[C@H](C)O fffa58851af97e9d3a93b166b97ca289 [0,1,1,0,0,0|2,0,0]=4 503 B8R0.13 CCC(C)(C)N(C)C=O 47b2b4eced2b2491cbc68bbc7487dd12 [0,1,1,0,0,0|2,0,0]=4 504 B8R0.20 CCC(CC)N(C)C=O a695b72f2adae00a27f64539765ed93c [0,1,1,0,0,0|2,0,0]=4 505 B8R0.20 CCN(C)C(C=O)C=O 24024932962d3ae2db523d915372330c [0,1,1,0,0,0|1,0,1]=4 506 B8R0.18 CCN(C(=O)C)C(C)C 6b8dc1079f487492a94f12950ff27167 [0,1,1,0,0,0|2,0,0]=4 507 B8R0.27 CC(=O)N(C)C(C)(C)C f5cb8b84b627b76eea961cbcd81ccc09 [0,1,1,0,0,0|2,0,0]=4 508 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [1,1,0,0,0,0|1,0,1]=4 509 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [1,1,0,0,0,0|1,0,1]=4 510 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [1,1,0,0,0,0|1,0,1]=4 511 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.30 CC1CNC(=O)CN1C=O fcd5de5cb32f4e0745f920e9ae254b39 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.30 C[C@@H]1CNC(=O)CN1C=O 1025c0607073a5885f233125b482a4dc [0,1,0,0,0,1|2,0,0]=4 514 B10R1.30 C[C@H]1CNC(=O)CN1C=O 01e7015ebf14d5a57435f351c6da767d [0,1,0,0,0,1|2,0,0]=4 515 B10R1.176 CN1CCN(CC1=O)C=O 8874f3233b60a9c332c5f9b3aca4c6c4 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.187 CC1=C(C(=O)CC1)OCF 4fa14705d9ae2e6d4a0c4388a5041f63 [0,2,0,0,0,0|0,0,2]=4 517 B10R1.187 CCOC1=C(CCC1=O)C 877574aefbd7a31815c4e68472764f4f [0,2,0,0,0,0|0,0,2]=4 518 B10R1.94 CCNC1CCN(C1=O)C 1241daa572815e530b39b7ba74f412da [0,2,0,0,0,0|2,0,0]=4 519 B10R1.94 CCNC1CCN(C1=O)O a8014b6a0e4cb178a99da5762361c187 [0,2,0,0,0,0|1,0,1]=4 520 B10R1.94 CCN[C@@H]1CCN(C1=O)C 95d82e8e6a1369f5d742bbd2ebdf8539 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.94 CCN[C@@H]1CCN(C1=O)O 20cce75be4d135f06eb0b5cd80deeced [0,2,0,0,0,0|1,0,1]=4 522 B10R1.94 CCN[C@H]1CCN(C1=O)C 77c861beb20fb2835dd9e4a082febc26 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.94 CCOC1CCC(=O)N1C e597dbf0ab8eda2787a931abbd2e4a90 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.94 CCO[C@@H]1CCN(C1=O)C 565d78ed80a1b7e819c24ccc1b67a6e9 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.94 CN1C(=O)CCC1OCF b9b5cd2e477e2b974a67f64a37066d37 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.94 CN1CCC(C1=O)NCF b37a954f60e98b6190f8eb00f18f9956 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.94 CN1CCC(C1=O)NCO 8661da5b023e2569dbf6db2269616d82 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.94 CN1CC[C@@H](C1=O)NCF 760c91666c1b23b02a9db7791694eb17 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.94 CN1CC[C@@H](C1=O)NCO ed5556c1fb9444280fc429b8890b6929 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.94 CN1CC[C@H](C1=O)NCF c34ce010fd649e29da5fa2eec787e44a [0,2,0,0,0,0|2,0,0]=4 531 B10R1.94 CN1CC[C@H](C1=O)NCO 079babfada3069fe1da83c473da3a83f [0,2,0,0,0,0|2,0,0]=4 532 B10R1.94 O=C1C(CCN1O)NCF 51d821fb18508fc5c32a58491521a015 [0,2,0,0,0,0|1,0,1]=4 533 B10R1.94 O=C1C(CCN1O)NCO b3f176e1216affbbac82de88c9a7ddb5 [0,2,0,0,0,0|1,0,1]=4 534 B10R1.94 O=C1[C@@H](CCN1O)NCF d574979c7273d40843350a167df49ff4 [0,2,0,0,0,0|1,0,1]=4 535 B10R1.94 O=C1[C@@H](CCN1O)NCO 62874167aa0d5683c060d1130bc93a8d [0,2,0,0,0,0|1,0,1]=4 536 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,0,1,1,0,0|2,0,0]=4 537 B8R1.38 C=CC(=O)N1CCC1 d0139f7b17a74aad2f7c1656c4595cf8 [0,0,1,1,0,0|2,0,0]=4 538 B8R1.38 O=CC(=O)N1CCC1 3cd44a972429668a2e301e83de6705a9 [0,0,1,1,0,0|1,0,0]=3 539 B8R1.40 C=C(C=O)OC1CC1 b9ffb3a59a8a9a3920997cae2c377c7b [0,0,1,1,0,0|2,0,0]=4 540 B8R1.40 C=CC(=O)NC1CC1 ae1867ae5f1dd1acb685caa201da262d [0,0,1,1,0,0|2,0,0]=4 541 B8R1.40 CN(C=O)CC1CC1 3ebaae3355b02d7a76d4d660673266ff [0,0,1,1,0,0|2,0,0]=4 542 B8R1.40 O=CC(=O)NC1CC1 288abfcb7bdb635fa8f12884916c723b [0,0,1,1,0,0|1,0,0]=3 543 B8R1.47 CCC1CN(C1)C=O 9645ce44596bcd4aa700308ce0a15fd2 [0,0,1,1,0,0|2,0,0]=4 544 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,0,1,1,0,0|2,0,0]=4 545 B8R1.39 CN(C=O)C1(CC1)C 22570dab61264ed4f7022e7238373781 [0,0,1,1,0,0|2,0,0]=4 546 B8R1.54 CC(=O)N(C)C1CC1 61fc6600543372561e48e4dacdc6032f [0,0,1,1,0,0|2,0,0]=4 547 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,0,1,1,0,0|2,0,0]=4 548 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,0,1,0,0,1|1,0,1]=4 549 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,0,1,0,0,1|2,0,0]=4 550 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,0,1,0,0,1|1,0,1]=4 551 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,0,1,0,0,1|1,0,1]=4 552 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,0,1,0,0,1|1,0,1]=4