0 B7R0.4 C/C(=C/CNC#N)/I 87f314191386f950910e70236814107a [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 C/C(=C/COCF)/Cl ccb17a4eecc3091faafab504472f0bc7 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 C/C(=C/COCF)/I 3c1d6b60b36a518dc432453d68bfeeb4 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 C/C(=C\CNC#N)/Cl ba03f57d1618c4ccca2474acb65f717d [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,0,0,0,0,0|1,0,3]=4 8 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,0,0,0,0,0|1,0,3]=4 9 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 CC(=CCNC#N)C ed07a272cd53894f79d915dff9a45ef7 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.4 CC(=CCNC#N)Cl 7536effe777213c967b3a7767a480c96 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 CC(=CCNC#N)I 5d02d24e1d38c0c31fae07d554466322 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.4 CC(=CCNCF)C 3984891f07cfe78b7ee7bd273d4f999d [0,0,0,0,0,0|2,0,1]=3 19 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [0,0,0,0,0,0|1,0,2]=3 20 B7R0.4 CC(=CCOCF)C c25b592aef4d9f50b5494c475de951b8 [0,0,0,0,0,0|1,0,1]=2 21 B7R0.4 CC(=CCOCF)I ba2122f4ea4634e790cdf077ca544e33 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [0,0,0,0,0,0|1,0,2]=3 27 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [0,0,0,0,0,0|1,0,3]=4 28 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [0,0,0,0,0,0|2,0,2]=4 29 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [0,0,0,0,0,0|2,0,2]=4 30 B7R0.4 CC(C)OC/C=C/Cl 91491ffbe45b122c593493ce1ec28e21 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.4 CC(C)OC/C=C\Cl 1e6b64e528b3b312db8e7f5d9f5e401f [0,0,0,0,0,0|3,0,1]=4 32 B7R0.4 CC(C)OCC=CCl 05c2ee32f696ac6fe468daf78fa733c3 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,0,0,0,0,0|2,0,1]=3 34 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [0,0,0,0,0,0|2,0,2]=4 35 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.4 CC=CCNC(C)C fbbab91c5c0fa912c14bc0d774686380 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,0,0,0,0,0|1,0,1]=2 42 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.4 CCOCC=C(Cl)Cl aa420eee9e85e57fd046661e3d34ce27 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,0,0,0,0,0|1,0,3]=4 46 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,0,0,0,0,0|2,0,2]=4 47 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.4 CCOCOC(C)C fcb36bcabbd9c702db3bb59956b361ad [0,0,0,0,0,0|2,0,2]=4 49 B7R0.4 CN(C)CCNC=O f6c5ad5f38b9716c3e69f7010da88e20 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.4 CN(C)CCOCF 8b70b7812206c4d5ded6c185d6862be3 [0,0,0,0,0,0|2,0,2]=4 51 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [0,0,0,0,0,0|2,0,2]=4 53 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.4 FCOCC=C(Cl)Cl ca5c0cd217425b6b4f7491f85f8f833c [0,0,0,0,0,0|3,0,1]=4 55 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.4 NC(=S)CCNC=O f6a23fd7dc0dc512f1366bbdac8ed6be [0,0,0,0,0,0|3,0,1]=4 57 B6R0.4 C=C(Br)CNC=O 2e020a236ab831176aea02028302e186 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,0,0,0,0,0|1,0,1]=3 59 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [1,0,0,0,0,0|1,0,2]=4 61 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|2,0,1]=4 69 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,0,0,0,0,0|1,0,2]=4 70 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,0,0,0,0,0|1,0,2]=4 71 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [1,0,0,0,0,0|3,0,0]=4 74 B6R0.6 C/C=C/CNC#N fe5c02a50a49ed00bc3809aef9ddcb4b [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.6 C/C=C\CNC#N a10d427f3ef904bfd6ef220e239689b7 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [1,0,0,0,0,0|1,0,1]=3 80 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,0,0,0,0|2,0,1]=4 83 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,0,0,0,0|1,0,1]=3 86 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [1,0,0,0,0,0|1,0,1]=3 87 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,0,0,0,0|1,0,2]=4 88 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|2,0,1]=4 91 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,0,0,0,0,0|2,0,1]=4 92 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.6 FCOC/C=C/Cl b004e8b2046201bd100e010636144deb [1,0,0,0,0,0|2,0,1]=4 94 B6R0.6 FCOCC=CCl 73af65b88ff3f3e74144a7afcc6be997 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.5 CC(C)CC(C)NC=O e933238982de5f0216c89e274f51b483 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.5 CC(CN(C)C)NC=O 0421ece4ecef12595309d8230b303423 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.5 C[C@@H](CN(C)C)NC=O c7c79254df6def27ef135d659a9a7575 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.5 C[C@H](CN(C)C)NC=O 5141e7462b522924fc32f48778373e41 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.6 C#C/C(=C/COCC)/C 4ab1bd2abe7358459c967af9735bb0e3 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.6 C#C/C(=C/COCF)/C e7a027b0e01de6f0b9ebf2b7d7ab6219 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.6 C#C/C(=C\COCC)/C 7123009ec411a028193e4a6f537a0b69 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.6 C#C/C(=C\COCF)/C 2568a2421d0962613e845bd75951dcbe [0,1,0,0,0,0|1,0,2]=4 103 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,1,0,0,0,0|2,0,1]=4 104 B8R0.6 CC(CO)CCNC=O 39cb296f33f08cf60badb1105cd0e264 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,1,0,0,0,0|2,0,1]=4 106 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,1,0,0,0,0|2,0,1]=4 109 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,1,0,0,0,0|2,0,1]=4 110 B8R0.6 CCN(C)CCCC=O 3dbfe5dc5050d94978ae64e6b9604998 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.6 CNC(=O)CCNC=O 0287357d6b05e381fe3090944ec763f1 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.6 C[C@@H](CO)CCNC=O 3feffe28caaaf0dbda7fb0990299be3b [0,1,0,0,0,0|1,0,2]=4 118 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,1,0,0,0,0|2,0,1]=4 121 B8R0.7 C#CCNCC=C(C)C e2d53e06fa1b9709d4db4ea52a5cd833 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.7 C#CCOC/C=C(/C)\Cl d0b099e5ebc42a1bb8984c9726a34c23 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.7 C#CCOC/C=C(/C)\I 0e7771c62ec1d989fda7763440f6fd6c [0,1,0,0,0,0|2,0,1]=4 124 B8R0.7 C#CCOC/C=C(\C)/Cl 362f5946d1df7922107741bf0f3c8697 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.7 C#CCOCC=C(C)C 2e4aaf9663a01ba98af45c5a071d3cd5 [0,1,0,0,0,0|1,0,1]=3 126 B8R0.7 C#CCOCC=C(C)Cl de0b75d809beed3dacf7ff5c0f51e788 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.7 C#CCOCC=C(C)I d3752e304af1460c98377f39df9a0c47 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.7 C/C(=C/COCC#N)/Cl 516b055afab46c137867673d977cc614 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.7 C/C(=C/COCC#N)/I 6f1f00720716ef026c8a5a4d5aa3fab8 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.7 C/C(=C/COCC=O)/Cl 1242a36c899156e7f2fba7315ce08cf0 [0,1,0,0,0,0|1,0,0]=2 131 B8R0.7 C/C(=C/COCC=O)/I aaa33a52c17768e2cade6c56d9089cb8 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.7 C/C(=C/COCCF)/Cl 45ef213c0104fff90a3f6d28a1f0e29a [0,1,0,0,0,0|2,0,1]=4 133 B8R0.7 C/C(=C/COCCF)/I 042a42c76f4e8e1fb7b58c4066aedb74 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.7 C/C(=C/COCCS)/Cl 260d9696b0858bc3abcf7ecf18022758 [0,1,0,0,0,0|1,1,1]=4 135 B8R0.7 C/C(=C/COCCS)/I d68be6062c7331a08f09e4bb2d37c016 [0,1,0,0,0,0|1,1,1]=4 136 B8R0.7 C/C(=C\COCC#N)/Cl 4a8866fe9db62f4ba14b6df91f7aadcb [0,1,0,0,0,0|2,0,1]=4 137 B8R0.7 C/C(=C\COCCF)/Cl aa255d11ff0e6864052934184ef85b5f [0,1,0,0,0,0|2,0,1]=4 138 B8R0.7 C/C(=C\COCCS)/Cl c5264dc5b9239e0d844a87db9bcb0100 [0,1,0,0,0,0|1,1,1]=4 139 B8R0.7 C=C(Br)CCOCC=O 0f5f503d09bd4779632a1a822b523b4c [0,1,0,0,0,0|1,0,2]=4 140 B8R0.7 C=C(C)CCNCC=O 4c3ba9587f8532929abf485727b781bd [0,1,0,0,0,0|1,0,2]=4 141 B8R0.7 C=C(C)CCOCC=O da9ea0e0498e99e55f19b3c9d4d5bcb1 [0,1,0,0,0,0|0,0,2]=3 142 B8R0.7 C=C(C)CNCCC=O 311dfeb8205d8e8cbdd8287713a6c3e0 [0,1,0,0,0,0|1,0,2]=4 143 B8R0.7 C=C(C)COCCC=O 42d5e99ccfec788cebe16494c41e8b9c [0,1,0,0,0,0|1,0,2]=4 144 B8R0.7 C=CCNCC=C(C)C 0df80170797fa18448fef46102a73c59 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.7 C=CCOC/C=C(/C)\Cl 63eb25bdfe8b92dc1e4ef26fc8d8bbb2 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.7 C=CCOC/C=C(/C)\I 5c98586d123b4f07ba2b356a01382dd2 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.7 C=CCOCC=C(C)C eca3e61c2092906027796cdcad8f7e58 [0,1,0,0,0,0|1,0,0]=2 148 B8R0.7 C=CCOCC=C(C)I d79f178cbfe58e780f13877f345761a4 [0,1,0,0,0,0|2,0,0]=3 149 B8R0.7 C=CCOCC=C(Cl)Cl 165fc1c529bc3b0105e9412767fb94c6 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [0,1,0,0,0,0|1,0,2]=4 151 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,1,0,0,0,0|2,0,1]=4 152 B8R0.7 C=CCOCCC(C)C dc2b2939e1232ad92646d1a4f0a37a80 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.7 C=CCOCCN(C)C 396f0cb9f4d9139b3793f0355979ea47 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.7 C=CCOCNC(=O)C 9865141036101ac320553ca04e5ea416 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.7 C=COCCNC(=O)C d3122f3ee5d15f554ff520f72b049913 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.7 C=COCCNC(C)C add3040c31282427bcf36ce2a3978af4 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.7 C=COCCOC(C)C 5cd8e52b6baa2e7d14f9120affa1c52b [0,1,0,0,0,0|1,0,2]=4 158 B8R0.7 CC(=CCCNC#N)C 9f0cc49c522eaa369a53ab1c5b3c6fbb [0,1,0,0,0,0|2,0,1]=4 159 B8R0.7 CC(=CCNCC#N)C fc74b67ebcbd6ac22561cd0396ce1f00 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.7 CC(=CCNCC=O)C 3064b3a277f78689989dd384c9ba4954 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.7 CC(=CCNCCBr)C a55b896e64a2a24dcea696e93f3d29b6 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.7 CC(=CCNCCF)C 9e6ac6e82cc1d21b11b8470e7d3b5ee6 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.7 CC(=CCNCCI)C 6c6162fb471ce1956b7889e42241d115 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.7 CC(=CCNCCO)C 0feeda9211e49f7a10ebb18c907ce996 [0,1,0,0,0,0|1,0,2]=4 165 B8R0.7 CC(=CCNCCS)C c5569db12d572d4aa528877e2ad05cd7 [0,1,0,0,0,0|1,1,1]=4 166 B8R0.7 CC(=CCOCC#N)C bb5cbac60d6d27d1fcccf17e10aabf89 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.7 CC(=CCOCC#N)Cl 1838e7e3acd1a3a6dd06a171f6b3deca [0,1,0,0,0,0|2,0,1]=4 168 B8R0.7 CC(=CCOCC#N)I 8034cc1fd5052fa87c89944076e3dd5f [0,1,0,0,0,0|2,0,1]=4 169 B8R0.7 CC(=CCOCC=O)C 4ab5a59373408a34b4481ca370ab3cf9 [0,1,0,0,0,0|0,0,0]=1 170 B8R0.7 CC(=CCOCC=O)I 2ac83cd845f1ff2fdd354fa23b1e9ba4 [0,1,0,0,0,0|1,0,0]=2 171 B8R0.7 CC(=CCOCCF)C baef75cf43465ef5950ad88174f89600 [0,1,0,0,0,0|1,0,1]=3 172 B8R0.7 CC(=CCOCCF)Cl faa2570e2fec376527d4f1d2cd61f8aa [0,1,0,0,0,0|2,0,1]=4 173 B8R0.7 CC(=CCOCCF)I 63452976e3209b22b29b3606f87aa1fd [0,1,0,0,0,0|2,0,1]=4 174 B8R0.7 CC(=CCOCCS)C c228681256606d28ce887dbb3a23c933 [0,1,0,0,0,0|0,1,1]=3 175 B8R0.7 CC(=CCOCCS)Cl e1c819c21855fbe04ebffdaa74e47d9e [0,1,0,0,0,0|1,1,1]=4 176 B8R0.7 CC(=CCOCCS)I ffdcf7e0ea2b02f8bd914eab49d2ab76 [0,1,0,0,0,0|1,1,1]=4 177 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [0,1,0,0,0,0|1,0,1]=3 178 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.7 CC(=O)COCCC=O 67fac1685908ac3ed2e3421f7c02f4dc [0,1,0,0,0,0|2,0,1]=4 180 B8R0.7 CC(=O)NCCNC=O 4f32f9322d14cf6774bb2f41854d1526 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.7 CC(=O)NCOCC=O 310db67b0a81e8cdbbbd8479bed9a419 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.7 CC(C)CCCNC=O bfa0e9e134f210b758698d92c7453fd7 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.7 CC(C)CCNCC=O 7f31486d3b2c7da3640d8a6a2c90d7ec [0,1,0,0,0,0|1,0,2]=4 184 B8R0.7 CC(C)CCOCC=O c3d2780edfa1fb6d6d194e7c0384e701 [0,1,0,0,0,0|0,0,2]=3 185 B8R0.7 CC(C)CNCCC=O c6d6e4834d14f931aabc475254ed07bc [0,1,0,0,0,0|1,0,2]=4 186 B8R0.7 CC(C)COCCC=O 0606e6b209ad758c0703a3db270b4a8f [0,1,0,0,0,0|1,0,2]=4 187 B8R0.7 CC(C)OC/C=C/C=O 4e4160efe718f5443229ce2fbcf01269 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.7 CC(C)OCCCC=O a0a336521d27b867089bba2506cd7e1c [0,1,0,0,0,0|1,0,2]=4 189 B8R0.7 CC(C)OCCNC=O 9db582d0158adc28dc148f1bd6556868 [0,1,0,0,0,0|1,0,2]=4 190 B8R0.7 CC(C)OCCOC=O 1a56f018311ee77835abf65d4ff13081 [0,1,0,0,0,0|0,0,2]=3 191 B8R0.7 CCCNCC=C(C)C 029a389e0c61ae0bd25944f993ae298b [0,1,0,0,0,0|2,0,1]=4 192 B8R0.7 CCCOC/C=C(/C)\Cl e5b94c0880532c7df7e87dea267bb3ef [0,1,0,0,0,0|2,0,1]=4 193 B8R0.7 CCCOC/C=C(/C)\I 1101d7d371ceb7c7bf005fcd8d3d5521 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.7 CCCOC/C=C(\C)/Cl 3b21530ea6646e5380074ec64c6c9e4b [0,1,0,0,0,0|2,0,1]=4 195 B8R0.7 CCCOCC=C(C)C b30e82a8d352d0695bc34774c65bba1f [0,1,0,0,0,0|1,0,1]=3 196 B8R0.7 CCCOCC=C(C)Cl 4a4c390369b94edf3a434bd7810fee83 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.7 CCCOCC=C(C)I 1c329db9da6fd808a5be639e1c562867 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.7 CN(C)CCCNC=O 5a07256aa2b2dc2ccccdfecfcf5dd80b [0,1,0,0,0,0|2,0,1]=4 199 B8R0.7 CN(C)CCNCC=O 29f095735c40145ed9940de03c146b31 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.7 CN(C)CCOCC=O f2f32f3186f4b25325b639bd2505a675 [0,1,0,0,0,0|1,0,1]=3 201 B8R0.7 CN(C)COCCC=O a90c5f93b3add179fffb905e406fd25f [0,1,0,0,0,0|2,0,1]=4 202 B8R0.7 COCNCC=C(C)C 44d00f3be0e21ff071ad6c1288f1c267 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.7 COCOC/C=C(/C)\Cl 3776a205f0b3ed3b43784b67a9768dc6 [0,1,0,0,0,0|1,0,2]=4 204 B8R0.7 COCOC/C=C(/C)\I 0e8d23d28e53c050fb72528763986d24 [0,1,0,0,0,0|1,0,2]=4 205 B8R0.7 COCOC/C=C(\C)/Cl 23a2a577a7bc051f382b9e7ddd5bbaf6 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.7 COCOCC=C(C)C eb10f9b59f2f4c3199e566133e6d3f14 [0,1,0,0,0,0|0,0,2]=3 207 B8R0.7 COCOCC=C(C)Cl 15c802fd764248f4bd30dc44ceb30738 [0,1,0,0,0,0|1,0,2]=4 208 B8R0.7 COCOCC=C(C)I 8fcfb14eb360bce6250b6434a2546cba [0,1,0,0,0,0|1,0,2]=4 209 B8R0.7 CS(=O)CCOCC=O 29eecdac67755e86d2be2b2f45a9b6a4 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.7 CSCNCC=C(C)C bd33927766e98f2dd5dacc45b1e895e0 [0,1,0,0,0,0|1,1,1]=4 211 B8R0.7 CSCOC/C=C(/C)\Cl 8d77159a9471ed7fc5abfcaf1f063828 [0,1,0,0,0,0|1,1,1]=4 212 B8R0.7 CSCOC/C=C(/C)\I f0fc199a9870d21b85403d2ccfe3954c [0,1,0,0,0,0|1,1,1]=4 213 B8R0.7 CSCOCC=C(C)C 11fcffec5a5501fa1669666c27a89e75 [0,1,0,0,0,0|0,1,1]=3 214 B8R0.7 CSCOCC=C(C)I 58f451f90704dfc8e77cfeb8f7eddabe [0,1,0,0,0,0|1,1,1]=4 215 B8R0.7 NC(=O)CCOCC=O 0f8544d00ceae7ccf81f543e5c4d2807 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.7 NC(=O)NCOCC=O a8c32d16b6de07aaad1d57cc3789a0a6 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.7 O=CCOCC=C(Cl)Cl 7f6fb8787ae9d8a1e7c2604d925d307b [0,1,0,0,0,0|2,0,0]=3 218 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [0,1,0,0,0,0|2,0,1]=4 219 B8R0.8 CC(C)C(O)CNC=O 60e39351432db3e8d29156b9b9cbfea4 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.8 CC(C)N(C)CCC=O 35a1a35e01b1c9ac6c32f45a18f937cb [0,1,0,0,0,0|2,0,1]=4 221 B8R0.8 CC(CNC=O)N(C)C cf5b00de5b0d05aaa1417f75408e48c9 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.8 CN(C)C(=O)CNC=O cd12a8c3ee28c6d34fc08d6da8286e97 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.8 CN(C)C(=O)COCF 2eb473ab3b971690a1d108e40a5614a8 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.9 CC(C)CCN(C)C=O 516a2a022cb88171d447755eeb173861 [0,1,0,0,0,0|1,0,2]=4 226 B8R0.9 CCN(C)CC=C(C)C c0858b3ee9aa449ac1738f4ea9e9cac4 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.9 CN(C)CCN(C)C=O b34edb31e570d3653e5ff795502442ff [0,1,0,0,0,0|2,0,1]=4 228 B8R0.21 CC(C)(C)CCNC=O 10d181a0403fdc263c049f7950d09c8a [0,1,0,0,0,0|1,0,2]=4 229 B8R0.21 CC(C)(C)NCCC=O 55ce68401173f98bc7370dc4d84bf683 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.21 CC(C)(F)CCNC=O 580d97cb09a7af4eedc84d8d9c23039e [0,1,0,0,0,0|1,0,2]=4 231 B8R0.21 CC(C)(O)CCNC=O 8086b4eda3a3ff1c39b6ec114b66fce7 [0,1,0,0,0,0|1,0,2]=4 232 B8R0.28 C/C(=C/COC(C)C)/Cl 7fe9c64c45a9d920627e606e5c16e8c0 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.28 C/C(=C/COC(C)C)/I bf083f5e2b495d1222df4302aafc9da1 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.28 C/C(=C\COC(C)C)/Cl 3d631fcefff4d6e9b8b38f0d9e660ac1 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,1,0,0,0,0|1,0,2]=4 236 B8R0.28 CC(=CCNC(C)C)C 4bc1ccab37d407a99a9990c7578b5199 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.28 CC(=CCOC(C)C)C e629491c9d8565cece6e7fc625997c17 [0,1,0,0,0,0|1,0,1]=3 238 B8R0.28 CC(=CCOC(C)C)Cl a39ef05b023be2dade9da17dfad18eaf [0,1,0,0,0,0|2,0,1]=4 239 B8R0.28 CC(=CCOC(C)C)I 01c05b5dfce2ec79ecfc68549232c0d8 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,1,0,0,0,0|1,0,0]=2 242 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,1,0,0,0,0|2,0,1]=4 246 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,1,0,0,0,0|1,0,1]=3 247 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,1,0,0,0,0|2,0,1]=4 248 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,1,0,0,0,0|2,0,1]=4 252 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,1,0,0,0,0|1,1,1]=4 253 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,0,0,1,0,0|1,0,2]=4 254 B8R1.1 CN1CCN(C1)C=O 8b7db25ff5974733ece4d3fc3a4817d7 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.6 CN1CC(C1)NC=O 2bb9fe7b14eef0f45302baaf417a686a [0,0,0,1,0,0|2,0,1]=4 256 B8R1.27 CC1(CC1NC=O)C 1eba7b19977ef6314debf1d7d2b38b51 [0,0,0,1,0,0|1,0,2]=4 257 B8R1.27 CC1(C[C@@H]1NC=O)C 4c0edb90401b625188d015207fc18655 [0,0,0,1,0,0|1,0,2]=4 258 B8R1.27 CC1(C[C@H]1NC=O)C ccea647979ee4862d824980bf0f41c3e [0,0,0,1,0,0|1,0,2]=4 259 B8R1.36 O=CCCNC1CC1 f4d8039ccf048cb8f4199c1b08351d63 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.36 O=CCCOC1CC1 15be0a51dabb82df31730d1a8c7404a9 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.36 O=CNCCC1CC1 9542a5931e0c3890dfcf8d7169cc9114 [0,0,0,1,0,0|1,0,2]=4 262 B8R1.36 O=CNCCN1CC1 188c39e271fc235da7afbcf399854612 [0,0,0,1,0,0|2,0,1]=4 263 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,1]=4 264 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [1,1,0,0,0,0|1,0,1]=4 266 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [1,1,0,0,0,0|1,0,1]=4 270 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [1,1,0,0,0,0|1,0,1]=4 271 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [1,1,0,0,0,0|1,0,1]=4 272 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [1,1,0,0,0,0|1,0,1]=4 277 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [1,1,0,0,0,0|1,0,1]=4 278 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [1,1,0,0,0,0|2,0,0]=4 281 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [1,1,0,0,0,0|1,0,1]=4 283 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [1,1,0,0,0,0|1,0,1]=4 287 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [1,1,0,0,0,0|1,0,1]=4 289 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [1,1,0,0,0,0|1,0,1]=4 290 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [1,1,0,0,0,0|1,0,1]=4 292 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [1,1,0,0,0,0|2,0,0]=4 297 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [1,1,0,0,0,0|1,0,1]=4 299 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [1,1,0,0,0,0|1,0,1]=4 301 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [1,1,0,0,0,0|1,0,1]=4 302 B7R0.8 CC(C)(C)CNC=O 62263fecd6dfd3bbe3846c082198510b [1,1,0,0,0,0|1,0,1]=4 303 B7R0.8 CC(C)(C)NCC=O 84f91e0185bc7a8cbf173006cc00a31e [1,1,0,0,0,0|1,0,1]=4 304 B7R0.8 CC(C)(O)CNC=O 342a9b6d29541cfeadb382656f3815a5 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.1 C#CCOC/C=C/C 7200b892bba9c502a0a85d28ce9c424e [1,1,0,0,0,0|1,0,1]=4 306 B7R0.1 C#CCOC/C=C\C ef405990619e0afa6534cd25691537da [1,1,0,0,0,0|1,0,1]=4 307 B7R0.1 C#CCOCC=CC 6aaf6b26d1bab4b1b731fd1ee3eba79c [1,1,0,0,0,0|1,0,1]=4 308 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [1,1,0,0,0,0|1,0,1]=4 309 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [1,1,0,0,0,0|1,0,1]=4 310 B7R0.1 C/C=C/COCC#N aebb35d9e1715ad39becccbbd130b890 [1,1,0,0,0,0|1,0,1]=4 311 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [1,1,0,0,0,0|0,0,0]=2 312 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [1,1,0,0,0,0|1,0,1]=4 313 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [1,1,0,0,0,0|0,1,1]=4 315 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [1,1,0,0,0,0|0,0,2]=4 316 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [1,1,0,0,0,0|0,1,1]=4 317 B7R0.1 C/C=C\COCC#N e5abc9911258d0c833d5c139ce0e9a31 [1,1,0,0,0,0|1,0,1]=4 318 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [1,1,0,0,0,0|0,0,0]=2 319 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [1,1,0,0,0,0|1,0,1]=4 320 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [1,1,0,0,0,0|1,0,1]=4 321 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [1,1,0,0,0,0|0,1,1]=4 322 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [1,1,0,0,0,0|0,0,2]=4 323 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [1,1,0,0,0,0|0,1,1]=4 324 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [1,1,0,0,0,0|0,0,2]=4 325 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [1,1,0,0,0,0|2,0,0]=4 326 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [1,1,0,0,0,0|1,0,0]=3 327 B7R0.1 C=CCOC/C=C/Cl 780a34b41257df1074acb78e79cbaf58 [1,1,0,0,0,0|2,0,0]=4 328 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [1,1,0,0,0,0|1,0,0]=3 329 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [1,1,0,0,0,0|1,0,0]=3 330 B7R0.1 C=CCOCC=CCl 3a1328d2f690c50bdbb50cf80b7063a0 [1,1,0,0,0,0|2,0,0]=4 331 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [1,1,0,0,0,0|0,0,2]=4 332 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [1,1,0,0,0,0|1,0,1]=4 333 B7R0.1 CC/C=C/COCF 76630f28c8771d1514152e0bc31d0edd [1,1,0,0,0,0|1,0,1]=4 334 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [1,1,0,0,0,0|1,0,1]=4 335 B7R0.1 CC/C=C\COCF 3d97aa00a2febfaa2982d62e55da7929 [1,1,0,0,0,0|1,0,1]=4 336 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [1,1,0,0,0,0|1,0,0]=3 337 B7R0.1 CC=CCOCC#N c36b7236760a4c91ea49520f8b3c7479 [1,1,0,0,0,0|1,0,1]=4 338 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [1,1,0,0,0,0|0,0,0]=2 339 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [1,1,0,0,0,0|1,0,1]=4 341 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [1,1,0,0,0,0|0,1,1]=4 342 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [1,1,0,0,0,0|0,0,2]=4 343 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [1,1,0,0,0,0|0,1,1]=4 344 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [1,1,0,0,0,0|0,0,2]=4 345 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [1,1,0,0,0,0|0,0,2]=4 346 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [1,1,0,0,0,0|1,0,1]=4 347 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [1,1,0,0,0,0|1,0,1]=4 349 B7R0.1 O=CCOC/C=C/Cl cbcd43346ec6887de6b80889a96d13f3 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.1 O=CCOCC=CCl 5a42fc503acbf6c888269c65a98eaab1 [1,1,0,0,0,0|1,0,0]=3 351 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [1,1,0,0,0,0|1,0,1]=4 354 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [1,1,0,0,0,0|1,0,1]=4 355 B7R0.7 CC=CC(C)OCF 320a75cf236278cddb0a50a5acdd75bf [1,1,0,0,0,0|1,0,1]=4 356 B9R0.4 CC(C)CC(C)OCC=O e4313446b456bdf7fdca0b7a0d643086 [0,2,0,0,0,0|0,0,2]=4 357 B9R0.4 CC(C)C[C@@H](C)OCC=O 86fba79e755fb79840211bcef0d1d91f [0,2,0,0,0,0|0,0,2]=4 358 B9R0.4 CC(C)C[C@H](C)OCC=O 1eaa0d6f3cf9bdd58393fd612436cf93 [0,2,0,0,0,0|0,0,2]=4 359 B9R0.4 CC(C)NC(=O)CNC=O bc7124ddc9a9f661551ef7a21021fcd6 [0,2,0,0,0,0|1,0,1]=4 360 B9R0.4 CC(CN(C)C)OCC=O e4460790c2283c3c5498e1eb9d8f03bf [0,2,0,0,0,0|1,0,1]=4 361 B9R0.4 C[C@@H](CN(C)C)OCC=O c350deac89f9e71e7efb50cf781f940f [0,2,0,0,0,0|1,0,1]=4 362 B9R0.4 C[C@H](CN(C)C)OCC=O 84a9864b783ac53ca64a981ddd84c2e8 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.6 CC(NC=O)C(=O)N(C)C 56104977049a06368440e45c51b59522 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.6 C[C@H](NC=O)C(=O)N(C)C 0ecc81f27b07b72ba953cadd20642a8c [0,2,0,0,0,0|2,0,0]=4 365 B9R0.53 CC(=O)OC(C)OC(C)C 15386f8b89c66ca0048e9c86cc06f7a3 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.1 C#CC(=O)NCC=C(C)C cbbb18f53ff0297b6564bcc6837087d8 [0,2,0,0,0,0|1,0,0]=3 367 B9R0.1 C#CC(C)OCC=C(C)C 19278a298cee3be28a43e4b613a0f3ae [0,2,0,0,0,0|1,0,1]=4 368 B9R0.1 C#C[C@@H](C)OCC=C(C)C fe88fc19aedf9458e6da47ae43b29e73 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.1 C#C[C@H](C)OCC=C(C)C a7d3331fb14382ce6866accdaa415b5b [0,2,0,0,0,0|1,0,1]=4 370 B9R0.1 C/C(=C/COC(C)C=O)/Cl 8e1d69213bc7f1f8f99a085684a5086d [0,2,0,0,0,0|1,0,0]=3 371 B9R0.1 C/C(=C/COC(C)C=O)/I 1bfdf82eab1f8618a10301057fd5cd3a [0,2,0,0,0,0|1,0,0]=3 372 B9R0.1 C/C(=C/CO[C@H](C)C=O)/Cl ed67d77a2d160e05bc9b30fc767c5ed6 [0,2,0,0,0,0|1,0,0]=3 373 B9R0.1 C/C(=C/CO[C@H](C)C=O)/I 2c4eb62918468f77e2aac89c47390185 [0,2,0,0,0,0|1,0,0]=3 374 B9R0.1 C/C(=C\COC(C)C=O)/Cl d90142233489c5017d37739b5fca10a5 [0,2,0,0,0,0|1,0,0]=3 375 B9R0.1 C=C(C)CCOC(=C)C=O b10ac3189addc0ee171c406d62724415 [0,2,0,0,0,0|0,0,2]=4 376 B9R0.1 C=C(C)CCOC(C)C=O 4cb57bc5ca557f8d37494c9f5d99b4d8 [0,2,0,0,0,0|0,0,2]=4 377 B9R0.1 C=C(C)CCO[C@H](C)C=O 3b4054d59e34118a5304e6ec77e57580 [0,2,0,0,0,0|0,0,2]=4 378 B9R0.1 C=C(C=O)OC/C=C(/C)\I 4b3b16f88d3586eaf99834d311b7986f [0,2,0,0,0,0|1,0,0]=3 379 B9R0.1 C=C(C=O)OC/C=C(\C)/Cl 155a22b06f1038f8e85688f37b260070 [0,2,0,0,0,0|1,0,0]=3 380 B9R0.1 C=C(C=O)OCC=C(C)C 6008f7318086feb5021c24f930d72e39 [0,2,0,0,0,0|0,0,0]=2 381 B9R0.1 C=C(C=O)OCC=C(C)Cl 531105a3ade751628e822838bf4e19d9 [0,2,0,0,0,0|1,0,0]=3 382 B9R0.1 C=C(C=O)OCC=C(C)I bd1fdd51fb4f338e5e0393e36affbaa6 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.1 C=C(C=O)OCC=C(Cl)Cl 83f397a7eddba526dc3f3409a9ee7fcf [0,2,0,0,0,0|2,0,0]=4 384 B9R0.1 C=C(C=O)OCCC(=O)C 97a9b3feed550bdad7937f32f13706da [0,2,0,0,0,0|1,0,1]=4 385 B9R0.1 C=C(C=O)OCCC(C)C 993d6c44e913d202317615362ca5bde2 [0,2,0,0,0,0|0,0,2]=4 386 B9R0.1 C=C(C=O)OCCN(C)C 85bf3439d3e09a97e501e204cc543638 [0,2,0,0,0,0|1,0,1]=4 387 B9R0.1 C=C(C=O)OCOC(=O)C 67e8655917f2709f8403cee780d51fab [0,2,0,0,0,0|2,0,0]=4 388 B9R0.1 C=C(C=O)OCOC(C)C 3d01d89d9883b6417edba80ab8561411 [0,2,0,0,0,0|1,0,1]=4 389 B9R0.1 C=CC(=O)NCC=C(C)C 256f5da9498fddbe2d5756905944a6d0 [0,2,0,0,0,0|1,0,0]=3 390 B9R0.1 C=CC(C)NCC=C(C)C 64c69f10631d80367b5d4c3b07502c83 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.1 C=CC(C)OC/C=C(/C)\Cl 2c797ecc7d78f37b9fbca5b67ab3f876 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.1 C=CC(C)OC/C=C(/C)\I 535108d94a57ec18f8059175d99c2450 [0,2,0,0,0,0|2,0,0]=4 393 B9R0.1 C=CC(C)OC/C=C(\C)/Cl e46fe08753ebcf0377ad1ac3617b6c57 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.1 C=CC(C)OCC=C(C)C 20e5319a9490769669161ba7f8adf99c [0,2,0,0,0,0|1,0,0]=3 395 B9R0.1 C=CC(C)OCC=C(C)Cl 1080959d3380d8da15764b5e8b2b216e [0,2,0,0,0,0|2,0,0]=4 396 B9R0.1 C=CC(C)OCC=C(C)I 106b92332f8efefcc34d7c6aba55d58e [0,2,0,0,0,0|2,0,0]=4 397 B9R0.1 C=C[C@H](C)OC/C=C(/C)\I cf223f902010bac6d0f6c78e6d592456 [0,2,0,0,0,0|2,0,0]=4 398 B9R0.1 C=C[C@H](C)OC/C=C(\C)/Cl 4f61e263db1dc40fff6d9edfa9f6f54e [0,2,0,0,0,0|2,0,0]=4 399 B9R0.1 C=C[C@H](C)OCC=C(C)C 69f4fcf4cf471c0af125a25ed710522a [0,2,0,0,0,0|1,0,0]=3 400 B9R0.1 C=C[C@H](C)OCC=C(C)Cl 0da58628b745f66e75513261c2c96fbe [0,2,0,0,0,0|2,0,0]=4 401 B9R0.1 C=C[C@H](C)OCC=C(C)I ae92428df83437b836629a7373d0757d [0,2,0,0,0,0|2,0,0]=4 402 B9R0.1 CC(=CCNC(=O)C=O)C a7df181c4e1308145b4511ca1623989d [0,2,0,0,0,0|1,0,0]=3 403 B9R0.1 CC(=CCNC(=O)CF)C d0bc0829b1f989a69241141af627b343 [0,2,0,0,0,0|1,0,0]=3 404 B9R0.1 CC(=CCNC(=O)CO)C 99de69a27f56e0717a5c36bd796a7f00 [0,2,0,0,0,0|1,0,0]=3 405 B9R0.1 CC(=CCNC(=O)CS)C e1823bc2d00a9ddbd61d584a80961b52 [0,2,0,0,0,0|1,0,0]=3 406 B9R0.1 CC(=CCNC(C)C=O)C 2a952bc34b30add8a3ec26dd2cce4d5d [0,2,0,0,0,0|1,0,0]=3 407 B9R0.1 CC(=CCN[C@H](C)C=O)C 43df98502fba49cf5e9b21eae36020a2 [0,2,0,0,0,0|1,0,0]=3 408 B9R0.1 CC(=CCOC(C)C#N)C afc52edab140b4d4c9344e56c2474ee2 [0,2,0,0,0,0|1,0,1]=4 409 B9R0.1 CC(=CCOC(C)C=O)C ffabf62222c7948c9bb7c4ad6c5785e7 [0,2,0,0,0,0|0,0,0]=2 410 B9R0.1 CC(=CCOC(C)C=O)Cl 5f063ab60462a0a4bebdaed37c0cdfd0 [0,2,0,0,0,0|1,0,0]=3 411 B9R0.1 CC(=CCOC(C)C=O)I 03c728d01a28d5a9376f24d4e70a15e0 [0,2,0,0,0,0|1,0,0]=3 412 B9R0.1 CC(=CCOC(C)CF)C 75ff53c5111656ca303f696ecd863da0 [0,2,0,0,0,0|1,0,1]=4 413 B9R0.1 CC(=CCOC(C)CS)C 9862585ed0092050348a8368f81059b3 [0,2,0,0,0,0|0,1,1]=4 414 B9R0.1 CC(=CCOC(F)C#N)C da4c666db7d22d9f6581d064c0270eec [0,2,0,0,0,0|1,0,1]=4 415 B9R0.1 CC(=CCO[C@H](C)C=O)C 76a443559fa42b1539c8aaf9163b966c [0,2,0,0,0,0|0,0,0]=2 416 B9R0.1 CC(=CCO[C@H](C)C=O)I 617e5c200a41fb8059d903be24ca1f74 [0,2,0,0,0,0|1,0,0]=3 417 B9R0.1 CC(=CCO[C@H](C)CS)C 2da706d5345c29b10ceebd436543821b [0,2,0,0,0,0|0,1,1]=4 418 B9R0.1 CC(=O)CCOC(C)C=O cb160a994c939e385607c4106d0006ba [0,2,0,0,0,0|1,0,1]=4 419 B9R0.1 CC(=O)CCO[C@H](C)C=O 0cefdf85f806832833faf787e48b718b [0,2,0,0,0,0|1,0,1]=4 420 B9R0.1 CC(=O)NCOC(C)C=O 75e9242d70e19121f7e9ffb1590863f4 [0,2,0,0,0,0|2,0,0]=4 421 B9R0.1 CC(=O)NCO[C@H](C)C=O 4c274d543100dcd740277d98c68b4856 [0,2,0,0,0,0|2,0,0]=4 422 B9R0.1 CC(=O)OCNC(C)CO 76053288c472e8736169c869174d9dc3 [0,2,0,0,0,0|1,0,1]=4 423 B9R0.1 CC(=O)OCN[C@@H](C)CO 68403b70a82968dbe1b7522f781c5509 [0,2,0,0,0,0|1,0,1]=4 424 B9R0.1 CC(=O)OCN[C@H](C)CO 008f51ea2e0cae1cf2db292c7d138dfd [0,2,0,0,0,0|1,0,1]=4 425 B9R0.1 CC(=O)OCOC(C)C=O 4ebfdbd82ff0ba4ca8de8863722a8986 [0,2,0,0,0,0|2,0,0]=4 426 B9R0.1 CC(=O)OCOC(C)CF a5e979ebacdbe532aeb2dcf04f90f101 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.1 CC(=O)OCOC(C)CS 1fb13d69d3259da5f281e5d0f3dd8413 [0,2,0,0,0,0|1,0,1]=4 428 B9R0.1 CC(=O)OCO[C@H](C)CS 0166b5f40ddcbd81555f2e3e10f08ecd [0,2,0,0,0,0|1,0,1]=4 429 B9R0.1 CC(C)CCOC(C)C=O a17976d3f6b33051782311e304dbeca6 [0,2,0,0,0,0|0,0,2]=4 430 B9R0.1 CC(C)CCO[C@H](C)C=O dfcd411730780daa50a107e27e8788c3 [0,2,0,0,0,0|0,0,2]=4 431 B9R0.1 CC(C)OCOC(C)C=O 00b2414932ee986b1deaf039b55189b7 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.1 CC(C=O)OCC=C(Cl)Cl 45a4e6fd91c0d2a9aec137ae67d08cc3 [0,2,0,0,0,0|2,0,0]=4 433 B9R0.1 CC(C=O)OCCN(C)C 994f39dd6fea5439e8ac2578c26c081b [0,2,0,0,0,0|1,0,1]=4 434 B9R0.1 CCC(=O)NCC=C(C)C c2665bdc8bcdfc26f7fdadaaa40a72a8 [0,2,0,0,0,0|1,0,0]=3 435 B9R0.1 CCC(=O)OCOC(C)C d2041b130de2bcfd6163156695ed2b3c [0,2,0,0,0,0|1,0,1]=4 436 B9R0.1 CCC(C)NCOC(=O)C 23aa0ac2e47ba04a5a139a2e1c0bf0de [0,2,0,0,0,0|1,0,1]=4 437 B9R0.1 CCC(C)OCC=C(C)C f1a856dad648c67c3199ced8e645ed40 [0,2,0,0,0,0|1,0,1]=4 438 B9R0.1 CCC(C)OCOC(=O)C f818c8d88ded73092c135f186b34a6ed [0,2,0,0,0,0|1,0,1]=4 439 B9R0.1 CCN(C)CCOC(=O)C 2e72695c8766aa8c6dd0fb8fcaa7e65d [0,2,0,0,0,0|1,0,1]=4 440 B9R0.1 CC[C@@H](C)NCOC(=O)C a711d08f12460f2a76c41395ffc9ec65 [0,2,0,0,0,0|1,0,1]=4 441 B9R0.1 CC[C@@H](C)OCC=C(C)C e4a6022f8d02a4c12c0cd2cf54a88045 [0,2,0,0,0,0|1,0,1]=4 442 B9R0.1 CC[C@@H](C)OCOC(=O)C 65fc54324ee0a95629ae5ef18322eb78 [0,2,0,0,0,0|1,0,1]=4 443 B9R0.1 CC[C@H](C)NCOC(=O)C ec462d5afb28a22cfec47297688b8d5f [0,2,0,0,0,0|1,0,1]=4 444 B9R0.1 CC[C@H](C)OCC=C(C)C d2053192ca51a631dfb1bf706824d85b [0,2,0,0,0,0|1,0,1]=4 445 B9R0.1 CC[C@H](C)OCOC(=O)C f590ede741d93a99ae3c6a1bb1672402 [0,2,0,0,0,0|1,0,1]=4 446 B9R0.1 COC(=O)OCOC(C)C 251eb519e02d8d49a94916f622d830be [0,2,0,0,0,0|1,0,1]=4 447 B9R0.1 C[C@H](C=O)OCC=C(Cl)Cl ee0bc491d729b95eae970f1fd1e950b2 [0,2,0,0,0,0|2,0,0]=4 448 B9R0.1 C[C@H](C=O)OCCN(C)C c089a41ca48814b3b3a9e8546fff953d [0,2,0,0,0,0|1,0,1]=4 449 B9R0.8 CCN(C)C(=O)CCC=O 9a5a1e8c15cee0396b7a79a3aa71a7d9 [0,2,0,0,0,0|2,0,0]=4 450 B9R0.8 CCN(C)C(=O)CNC=O 354ddfd07cf76293ef7ae5bbe5109503 [0,2,0,0,0,0|2,0,0]=4 451 B9R0.46 C#C/C(=C/COCC=C)/C b6cd8cd77eed1527ac3726886edf052b [0,2,0,0,0,0|1,0,1]=4 452 B9R0.46 C#C/C(=C/COCC=O)/C f8cced1f6e267eb166c668a407c4dffe [0,2,0,0,0,0|0,0,1]=3 453 B9R0.46 C#C/C(=C\COCC=C)/C 0c0b1f967f9b3e1532bbcbd1b8b4ff91 [0,2,0,0,0,0|1,0,1]=4 454 B9R0.46 C#C/C(=C\COCC=O)/C 8d75df70a64838800b44aeece5ee1ce8 [0,2,0,0,0,0|0,0,1]=3 455 B9R0.46 CCC(C)CCOCC=O ffa804ef82eba2baed5b236b8174cc5b [0,2,0,0,0,0|0,0,2]=4 456 B9R0.46 CCC(C)OCCOC=O 186c75d581c36984caa7089474780127 [0,2,0,0,0,0|0,0,2]=4 457 B9R0.46 CCN(C)CCOCC=O 82ff7a29890a5c811a75777b8b83be09 [0,2,0,0,0,0|1,0,1]=4 458 B9R0.46 CC[C@H](C)CCOCC=O 80dda8846c63ca08a849cc59acf34bed [0,2,0,0,0,0|0,0,2]=4 459 B9R0.46 CNC(=O)CCOCC=O abc7294946efcd96050b75607b925699 [0,2,0,0,0,0|1,0,1]=4 460 B9R0.46 COC(=O)CCOCC=O e3e43780dfc83d77f81fdd568a9b5113 [0,2,0,0,0,0|1,0,1]=4 461 B9R0.46 COC(C)CCOCC=O 0b0c48ce86b0d4306b127755a8a5c6f8 [0,2,0,0,0,0|0,0,2]=4 462 B9R0.47 C=C(COCC=O)C(=O)O 4c94ea6d36d78f73406706ac1aae8785 [0,2,0,0,0,0|2,0,0]=4 463 B9R0.47 C=CCOCC(=O)N(C)C acd494d4a4e5057245a755c2152be416 [0,2,0,0,0,0|2,0,0]=4 464 B9R0.47 CC(=O)C(C)COCC=O d54d440898f4bb5a1ba49bf3923c568b [0,2,0,0,0,0|1,0,1]=4 465 B9R0.47 CC(C)C(C)COCC=O e07e530f2feef9c6c8b549789bb7f200 [0,2,0,0,0,0|0,0,2]=4 466 B9R0.47 CC(COCC=O)N(C)C f746cd466c16c57f5fb0ec70c0ce5f59 [0,2,0,0,0,0|1,0,1]=4 467 B9R0.47 CN(C)C(=O)CCNC=O 1def34ac9b6ec009acae1112272daf3b [0,2,0,0,0,0|2,0,0]=4 468 B9R0.47 CN(C)C(=O)CNCC=O fe3fc7c9bcf5c196de99bbd547fdd75e [0,2,0,0,0,0|2,0,0]=4 469 B9R0.47 CN(C)C(=O)COCC=O 62532f3920bec2578d3679cf6b6ecd65 [0,2,0,0,0,0|1,0,0]=3 470 B9R0.47 C[C@@H](COCC=O)N(C)C 4efd5f3e16df7bdc78d83760a82a851a [0,2,0,0,0,0|1,0,1]=4 471 B9R0.47 C[C@H](COCC=O)N(C)C c1adbe937236ee048eba63c63e139f27 [0,2,0,0,0,0|1,0,1]=4 472 B9R0.50 CCOCC=C(CCl)CCl 4434b537963a55a296a5801947714ab3 [0,2,0,0,0,0|1,0,1]=4 473 B9R0.50 FCOCC=C(CCl)CCl 2fc42c3c73335190c550266e9b6ebad7 [0,2,0,0,0,0|1,0,1]=4 474 B9R0.2 C#CCCOCC=C(C)C 1c47dd97b9c9fe346fb73f926c236b38 [0,2,0,0,0,0|1,0,1]=4 475 B9R0.2 C#CCOCCC=C(C)C ae26d7c4eff7351df2dd4deb5e1d7d3c [0,2,0,0,0,0|1,0,1]=4 476 B9R0.2 C/C(=C/COC/C=C/Cl)/Cl ae187e969f97be2f4babc42128e7bf13 [0,2,0,0,0,0|2,0,0]=4 477 B9R0.2 C/C(=C/COC/C=C/Cl)/I 151c9148757cae4a9d597a48100231b2 [0,2,0,0,0,0|2,0,0]=4 478 B9R0.2 C/C(=C/COC/C=C\Cl)/Cl f2739ed76584af9acc262a3cc05ca3c8 [0,2,0,0,0,0|2,0,0]=4 479 B9R0.2 C/C(=C/COC/C=C\Cl)/I 7c3cfda881b83600a33738d15df02ca1 [0,2,0,0,0,0|2,0,0]=4 480 B9R0.2 C/C(=C/COCC=CCl)/I a6a7b0aa5e1e832db1574caa62ce24d0 [0,2,0,0,0,0|2,0,0]=4 481 B9R0.2 C/C(=C/COCCC=O)/Cl 856066cd63c45b5b70a18ac61df4f55c [0,2,0,0,0,0|1,0,0]=3 482 B9R0.2 C/C(=C/COCCC=O)/I 8529ce6d758adda3d442fc3bf9368313 [0,2,0,0,0,0|1,0,0]=3 483 B9R0.2 C/C(=C\COC/C=C/Cl)/Cl 38dbc07803b3e075808cd84f5b8549e9 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.2 C/C(=C\COCC=CCl)/Cl 4e13139b44440ec3502119bddc987867 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.2 C/C(=C\COCCC=O)/Cl 1a03f020b1c0795cb5282dfcc86604bc [0,2,0,0,0,0|1,0,0]=3 486 B9R0.2 C/C=C/CNCC=C(C)C 537607855151e2ed7fb6e61a58fb09a2 [0,2,0,0,0,0|2,0,0]=4 487 B9R0.2 C/C=C/COC/C=C(/C)\Cl 5865c3a8163a980d41a3d9855d96307f [0,2,0,0,0,0|2,0,0]=4 488 B9R0.2 C/C=C/COC/C=C(/C)\I ae5c70517a6de1f3eaa9f71741e112f0 [0,2,0,0,0,0|2,0,0]=4 489 B9R0.2 C/C=C/COC/C=C(\C)/Cl af7c3cc88f91d0267cb1719bea48ea04 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.2 C/C=C/COCC=C(C)C 7a0776db17adc43127b19efd988ed5d8 [0,2,0,0,0,0|1,0,0]=3 491 B9R0.2 C/C=C/COCC=C(C)Cl d7015c7c3546e392610d1912e9613312 [0,2,0,0,0,0|2,0,0]=4 492 B9R0.2 C/C=C/COCC=C(C)I b8f2469de3689de340e5a70872c8e42c [0,2,0,0,0,0|2,0,0]=4 493 B9R0.2 C/C=C\CNCC=C(C)C b146c53af2da1f607ef64f4b8a40f957 [0,2,0,0,0,0|2,0,0]=4 494 B9R0.2 C/C=C\COC/C=C(/C)\Cl 07c2bdf6634a711bff309d43cdfddcd4 [0,2,0,0,0,0|2,0,0]=4 495 B9R0.2 C/C=C\COC/C=C(/C)\I 7782fb880d001ae5b67609961039ff6e [0,2,0,0,0,0|2,0,0]=4 496 B9R0.2 C/C=C\COC/C=C(\C)/Cl 27aacf4201706236cb55942911c26101 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.2 C/C=C\COCC=C(C)C 139fd95ed1bd4d4fcc39e50c1bd7591e [0,2,0,0,0,0|1,0,0]=3 498 B9R0.2 C/C=C\COCC=C(C)Cl a8f41852605d239425968dc6720dab04 [0,2,0,0,0,0|2,0,0]=4 499 B9R0.2 C/C=C\COCC=C(C)I 031f9a264f009e36a40791e269a99d38 [0,2,0,0,0,0|2,0,0]=4 500 B9R0.2 C=C(C)CCCOCC=O 31f7e141eed9075e295048839fc5c90d [0,2,0,0,0,0|0,0,2]=4 501 B9R0.2 C=C(C)CCOCCC=O 98b2f70da8b91ef28535ddbb6c06716f [0,2,0,0,0,0|0,0,2]=4 502 B9R0.2 C=C(C)COCCOC=O e8ff5eee3d0b7bf35567e690a7866878 [0,2,0,0,0,0|0,0,2]=4 503 B9R0.2 C=CCCNCC=C(C)C c6e78b3544f15f02095b433e8cecfe3a [0,2,0,0,0,0|2,0,0]=4 504 B9R0.2 C=CCCOC/C=C(/C)\Cl 1958f25206a4568401eb10723aa14637 [0,2,0,0,0,0|2,0,0]=4 505 B9R0.2 C=CCCOC/C=C(/C)\I 9bc98b64be3546aab920f3e9db016989 [0,2,0,0,0,0|2,0,0]=4 506 B9R0.2 C=CCCOC/C=C(\C)/Cl d0991320a66778718c3333e96457b125 [0,2,0,0,0,0|2,0,0]=4 507 B9R0.2 C=CCCOCC=C(C)C 0ac9f7fe0da40fab076bd4d65667e8b4 [0,2,0,0,0,0|1,0,0]=3 508 B9R0.2 C=CCCOCC=C(C)Cl 0f3b650188b8dd30a58f522b54a65320 [0,2,0,0,0,0|2,0,0]=4 509 B9R0.2 C=CCCOCC=C(C)I 638fec70b4bee0765fb126108889dcbc [0,2,0,0,0,0|2,0,0]=4 510 B9R0.2 CC#CCOCC=C(C)C 5d1111c1ce9ec8b47d938562e4ae36b6 [0,2,0,0,0,0|1,0,1]=4 511 B9R0.2 CC(=C=CCCOCF)C 785e6cde4d605199a6b7b902b403907f [0,2,0,0,0,0|1,0,1]=4 512 B9R0.2 CC(=CCCOCC#N)C 3cde8517f504a794824ae04372bf0c5b [0,2,0,0,0,0|1,0,1]=4 513 B9R0.2 CC(=CCCOCCF)C c88f7a02058ed24753803e8bf51b0d75 [0,2,0,0,0,0|1,0,1]=4 514 B9R0.2 CC(=CCCOCCS)C c17f55f10e92bd2ee1696a053bf650c3 [0,2,0,0,0,0|0,1,1]=4 515 B9R0.2 CC(=CCNC/C=C/Cl)C ef224b42f90a207337107ecbda503fe6 [0,2,0,0,0,0|2,0,0]=4 516 B9R0.2 CC(=CCNC/C=C\Cl)C c4a89b53eb7c016305ee7c3a7740a2b0 [0,2,0,0,0,0|2,0,0]=4 517 B9R0.2 CC(=CCNC/C=C\O)C 25d30b5e453a90a70369c141558c8246 [0,2,0,0,0,0|1,0,1]=4 518 B9R0.2 CC(=CCNCCC=O)C fbb1abdcc4e6e1f4343373963519f1b9 [0,2,0,0,0,0|1,0,0]=3 519 B9R0.2 CC(=CCOC/C=C/Cl)C 9d0082df191dfe80bf2ae0b99e5e3588 [0,2,0,0,0,0|1,0,0]=3 520 B9R0.2 CC(=CCOC/C=C/Cl)Cl e65fb71b10253593427a21a3ee85a7a9 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.2 CC(=CCOC/C=C/Cl)I c3fc1cd934294c3007dd64c3ded0d410 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.2 CC(=CCOC/C=C\Cl)C 740d3149e60fa1af21c62ded6e678af8 [0,2,0,0,0,0|1,0,0]=3 523 B9R0.2 CC(=CCOC/C=C\Cl)I 18b4d37afb11f6a17afa7eb838b4c53c [0,2,0,0,0,0|2,0,0]=4 524 B9R0.2 CC(=CCOCC#CI)C 876f95a12acd48faf3aa49546e199c8c [0,2,0,0,0,0|1,0,1]=4 525 B9R0.2 CC(=CCOCC=CCl)C fd825fe358365b7ef9a3c125884caa61 [0,2,0,0,0,0|1,0,0]=3 526 B9R0.2 CC(=CCOCC=CCl)Cl 9d05357985b9f754f2741ad9f3016a9d [0,2,0,0,0,0|2,0,0]=4 527 B9R0.2 CC(=CCOCC=CCl)I f3269253cb98a33946340a920749c42c [0,2,0,0,0,0|2,0,0]=4 528 B9R0.2 CC(=CCOCCC#N)C 723d9db413ea95a38e8377c321ddcae2 [0,2,0,0,0,0|1,0,1]=4 529 B9R0.2 CC(=CCOCCC=O)C 9ff67f535193b4420c7c73bfaac540fd [0,2,0,0,0,0|0,0,0]=2 530 B9R0.2 CC(=CCOCCC=O)Cl dd4ca7433f0bb8d9a73c6b0f82014ea6 [0,2,0,0,0,0|1,0,0]=3 531 B9R0.2 CC(=CCOCCC=O)I ae16063a1fbd785d2668e0cea654bfb3 [0,2,0,0,0,0|1,0,0]=3 532 B9R0.2 CC(=CCOCCCF)C 70e549fe0bc9806749d1e3fbe0e14ddf [0,2,0,0,0,0|1,0,1]=4 533 B9R0.2 CC(=CCOCCCS)C dccca2c092e01833c84e2cbf3d9f63f7 [0,2,0,0,0,0|0,1,1]=4 534 B9R0.2 CC(=CCOCSC#N)C 7fd942e0db8062450591c9bf6741718b [0,2,0,0,0,0|0,1,1]=4 535 B9R0.2 CC(=O)CCCOCC=O 7ff95c1b28ea07d48ab7c219ca5a33c9 [0,2,0,0,0,0|1,0,1]=4 536 B9R0.2 CC(=O)CCOCCC=O 9224f481da653bff9a4e2ad03dac676e [0,2,0,0,0,0|1,0,1]=4 537 B9R0.2 CC(=O)NCCOCC=O c892a19c2819f0f7d72506ae5c84fa91 [0,2,0,0,0,0|1,0,1]=4 538 B9R0.2 CC(=O)NCOCCC=O cfaee0e8255546514b3b86f54b6379bc [0,2,0,0,0,0|2,0,0]=4 539 B9R0.2 CC(=O)OCCOCC=O 50de9809b657b57c3e7b1c5e62714176 [0,2,0,0,0,0|1,0,1]=4 540 B9R0.2 CC(=O)OCOCCC=O 43928999cc7dc7f483ee6ebbcfb96c99 [0,2,0,0,0,0|2,0,0]=4 541 B9R0.2 CC(C)CCCOCC=O bdd24f9b5eb3e927a3ba2032fbfb17f1 [0,2,0,0,0,0|0,0,2]=4 542 B9R0.2 CC(C)CCOCCC=O 35e5fe09d7f172e01a3fc9fb57f41a74 [0,2,0,0,0,0|0,0,2]=4 543 B9R0.2 CC(C)COCCOC=O 93375745bf75f1308b2bac5c5e314bd3 [0,2,0,0,0,0|0,0,2]=4 544 B9R0.2 CC(C)OCCOCC=O c04cf462a61c105059017408cf9c4096 [0,2,0,0,0,0|0,0,2]=4 545 B9R0.2 CC(C)OCOCCC=O 66572ae7050e7e05d12f1f1921ab4ac8 [0,2,0,0,0,0|1,0,1]=4 546 B9R0.2 CC(C)SCCOCC=O ec08f3bf045b5d5c092598851c9109d0 [0,2,0,0,0,0|0,0,2]=4 547 B9R0.2 CC=CCNCC=C(C)C c4d6cd5fb970676e19754f44092a722c [0,2,0,0,0,0|2,0,0]=4 548 B9R0.2 CC=CCOC/C=C(/C)\I b906ccc3fd85e20264993638dc48c8e8 [0,2,0,0,0,0|2,0,0]=4 549 B9R0.2 CC=CCOC/C=C(\C)/Cl 3a5eb0436bfe3febd29d75b570fa8eac [0,2,0,0,0,0|2,0,0]=4 550 B9R0.2 CC=CCOCC=C(C)C b0c0706b9e39fb5ade5d637dad31f321 [0,2,0,0,0,0|1,0,0]=3 551 B9R0.2 CC=CCOCC=C(C)Cl 64a8f9a98ec4db157c3d5c60f24ffddd [0,2,0,0,0,0|2,0,0]=4 552 B9R0.2 CC=CCOCC=C(C)I 4364e3a01b5dceb7aff7111250fb76a6 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.2 CCCCOCC=C(C)C 761455161b359ecdf381fb2c7e2674d3 [0,2,0,0,0,0|1,0,1]=4 554 B9R0.2 CCCOCCC=C(C)C ff6fc9b7b0a2446d5a1ca048cc1d0112 [0,2,0,0,0,0|1,0,1]=4 555 B9R0.2 CCOCCC=C=C(C)C dd35d19c4f283911e045b4e8793dd1f7 [0,2,0,0,0,0|1,0,1]=4 556 B9R0.2 CCOCNCC=C(C)C 927d03c4f16753fb866b1ff3554fa4d3 [0,2,0,0,0,0|1,0,1]=4 557 B9R0.2 CCOCOCC=C(C)C bee54c9b85caa74d7504e7def69868aa [0,2,0,0,0,0|0,0,2]=4 558 B9R0.2 CN(C)CCCOCC=O 832c37008deaf52143ba2beb28b0537b [0,2,0,0,0,0|1,0,1]=4 559 B9R0.2 CN(C)CCOCCC=O 88e57e3491dfa651d80263e6f2c2bd5b [0,2,0,0,0,0|1,0,1]=4 560 B9R0.2 CN(C)COCCOC=O 42383fbf9ac9af51652831d0be7b6dd0 [0,2,0,0,0,0|1,0,1]=4 561 B9R0.2 COCCOCC=C(C)C f9135d3a4ef3aa98a8217fd5232846df [0,2,0,0,0,0|0,0,2]=4 562 B9R0.2 COCOCCC=C(C)C bdfdda162a0b3b32c8d412c8f7b49e1d [0,2,0,0,0,0|0,0,2]=4 563 B9R0.2 CSCCOCC=C(C)C 0a83d2279aadf5a50a9cf4b216863a63 [0,2,0,0,0,0|0,1,1]=4 564 B9R0.2 O=CCCOCC=C(Cl)Cl 4523df91352681938bfc0030fcf4e777 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.2 O=CCOC/C=C/C(=O)O 08e2e473a556aa712c3a07a614d12573 [0,2,0,0,0,0|2,0,0]=4 566 B9R0.2 O=CCOCC=CC(=O)O 57edcebe4ea005db580dd8770b232662 [0,2,0,0,0,0|2,0,0]=4 567 B9R0.38 CC(C)(C)CCOCC=O 2359e92f971759a4c5237c904bc4f9f8 [0,2,0,0,0,0|0,0,2]=4 568 B9R0.38 CC(C)(S)CCOCC=O 6cf959e0b641ea2b242f039c57d22a61 [0,2,0,0,0,0|0,0,2]=4 569 B9R0.48 C=CCN(C)CC=C(C)C 2431d658e9bc0d61e4c12637c0e68bcc [0,2,0,0,0,0|2,0,0]=4 570 B9R0.55 C/C(=C/CNCC(=O)N)/I 5d470a066c8c57faf5038cc6e9ce73ba [0,2,0,0,0,0|2,0,0]=4 571 B9R0.55 C/C(=C/CNCC(=O)O)/I a76d6dbc0e5328a9b8aa64ebd1b6c194 [0,2,0,0,0,0|2,0,0]=4 572 B9R0.55 C/C(=C/COCC(=O)N)/Cl 2257e3681b28b7cb398fb87f47300a54 [0,2,0,0,0,0|1,0,0]=3 573 B9R0.55 C/C(=C/COCC(=O)N)/I 25cd1c40941989f95e573390a12be3bb [0,2,0,0,0,0|1,0,0]=3 574 B9R0.55 C/C(=C/COCC(=O)O)/Cl bdea4f5aeb03cc258b24f376652d8a21 [0,2,0,0,0,0|1,0,0]=3 575 B9R0.55 C/C(=C/COCC(=O)O)/I 6bfad94351ed127d47214e042271c08e [0,2,0,0,0,0|1,0,0]=3 576 B9R0.55 C/C(=C/COCC(=S)N)/I ccf69f7add6ce2cb8ad2cad82ca91ce7 [0,2,0,0,0,0|1,1,0]=4 577 B9R0.55 C/C(=C/COCS(=O)O)/I 59530b684799108a0c1c6b34732d1bd3 [0,2,0,0,0,0|1,0,1]=4 578 B9R0.55 C/C(=C/COC[N+](=O)[O-])/Cl 5435b2b508233b89d1244f3b74ed3ac0 [0,2,0,0,0,0|1,0,1]=4 579 B9R0.55 C/C(=C/COC[N+](=O)[O-])/I 4c6b48bf92ae06684cbeac3e91a9281d [0,2,0,0,0,0|1,0,1]=4 580 B9R0.55 C/C(=C\CNCC(=O)N)/Cl 12304371a65b52ac9720b5fb05db8623 [0,2,0,0,0,0|2,0,0]=4 581 B9R0.55 C/C(=C\CNCC(=O)O)/Cl 33489f0d342c5536f81ea090a2f820e8 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.55 C/C(=C\COCC(=O)N)/Cl 6dc17a576331b9cff97c1481c7e45adf [0,2,0,0,0,0|1,0,0]=3 583 B9R0.55 C/C(=C\COCC(=O)O)/Cl 4fa34096288c6e1175d96996004a7d69 [0,2,0,0,0,0|1,0,0]=3 584 B9R0.55 C/C(=C\COCC(=S)N)/Cl 4f78f7fdfe74dac4abaf057b7f1ba1d4 [0,2,0,0,0,0|1,1,0]=4 585 B9R0.55 C/C(=C\COCS(=O)O)/Cl 58066313536dfe401be403d177761fba [0,2,0,0,0,0|1,0,1]=4 586 B9R0.55 C=C(Br)CNCC=C(C)C a1ea9776e1873ee480e34511d4369dbd [0,2,0,0,0,0|2,0,0]=4 587 B9R0.55 C=C(Br)COC/C=C(/C)\Cl 90bf74d0cced81d761233d783eeb3817 [0,2,0,0,0,0|2,0,0]=4 588 B9R0.55 C=C(Br)COC/C=C(/C)\I 1ae83e1cc1fa766bb18f77d50946f37d [0,2,0,0,0,0|2,0,0]=4 589 B9R0.55 C=C(Br)COC/C=C(\C)/Cl 1a776dfdb6f16e6fa638d341cf0595cf [0,2,0,0,0,0|2,0,0]=4 590 B9R0.55 C=C(Br)COCC=C(C)C 762745d3e2b28b975da2a9737ee83a8c [0,2,0,0,0,0|1,0,0]=3 591 B9R0.55 C=C(Br)COCC=C(C)Cl 2005ebf3fc84f3a07e07d5e7369d573b [0,2,0,0,0,0|2,0,0]=4 592 B9R0.55 C=C(Br)COCC=C(C)I 2f132ffcbf53ae5d0f21bc6750bc00c5 [0,2,0,0,0,0|2,0,0]=4 593 B9R0.55 C=C(C)CCOCC(=O)C 674e4ae6886ff1d2fa28b38381f83ac0 [0,2,0,0,0,0|0,0,2]=4 594 B9R0.55 C=C(C)CCOCC(=O)N d33aa0dae0308277a86cd28962dc0582 [0,2,0,0,0,0|0,0,2]=4 595 B9R0.55 C=C(C)CCOCC(=O)O d511df34cdc214eb72cb2dd39c037f73 [0,2,0,0,0,0|0,0,2]=4 596 B9R0.55 C=C(C)CNCC=C(C)C bdcef6a42cc227f73c7737ab9ecc84a6 [0,2,0,0,0,0|2,0,0]=4 597 B9R0.55 C=C(C)CNCOC(=O)C 99ad069ec9b09d4e775e7a2a21599591 [0,2,0,0,0,0|0,0,2]=4 598 B9R0.55 C=C(C)COC/C=C(/C)\Cl 6c14f004dd9c0f3c7f1fcbf731776080 [0,2,0,0,0,0|2,0,0]=4 599 B9R0.55 C=C(C)COC/C=C(/C)\I fadf773662f8e4e47b2469c81e3d6597 [0,2,0,0,0,0|2,0,0]=4 600 B9R0.55 C=C(C)COC/C=C(\C)/Cl 543189c3137392f0953894a1baa2f92c [0,2,0,0,0,0|2,0,0]=4 601 B9R0.55 C=C(C)COCC=C(C)C dc611f8656b339597723d3e2ff540ee9 [0,2,0,0,0,0|1,0,0]=3 602 B9R0.55 C=C(C)COCC=C(C)Cl e5645e94434e3f799fc60fa8c179672a [0,2,0,0,0,0|2,0,0]=4 603 B9R0.55 C=C(C)COCC=C(C)I 238696f3bd0b773d14c3749bcb75a7d6 [0,2,0,0,0,0|2,0,0]=4 604 B9R0.55 C=C(C)COCOC(=O)C 76de808df68251924681929e50fc5329 [0,2,0,0,0,0|0,0,2]=4 605 B9R0.55 C=C(Cl)CNCC=C(C)C 2cdb2f71c1dbb7ff9c2a88d1fa527ef6 [0,2,0,0,0,0|2,0,0]=4 606 B9R0.55 C=C(Cl)COC/C=C(/C)\Cl ae6b707dc44e35e90de54a09fb241b1f [0,2,0,0,0,0|2,0,0]=4 607 B9R0.55 C=C(Cl)COC/C=C(/C)\I 4fe69a5b4ffae0ea63ca5e391e1607f0 [0,2,0,0,0,0|2,0,0]=4 608 B9R0.55 C=C(Cl)COC/C=C(\C)/Cl ae357949647ff1f232ced7e3c7302042 [0,2,0,0,0,0|2,0,0]=4 609 B9R0.55 C=C(Cl)COCC=C(C)C 5865c84c4ff02911c8b2131a13e979c9 [0,2,0,0,0,0|1,0,0]=3 610 B9R0.55 C=C(Cl)COCC=C(C)Cl 8a2d445a17c99338e6f2e855ce8fbe58 [0,2,0,0,0,0|2,0,0]=4 611 B9R0.55 C=C(Cl)COCC=C(C)I bb8f7ecf9f9812f7c57ec0ef883f9aec [0,2,0,0,0,0|2,0,0]=4 612 B9R0.55 C=C(F)CNCC=C(C)C ed33bfe37f1792080c201f3dd853e551 [0,2,0,0,0,0|2,0,0]=4 613 B9R0.55 C=C(F)COC/C=C(/C)\Cl 625ae9d52391faba039b29f5d0d2b0a7 [0,2,0,0,0,0|2,0,0]=4 614 B9R0.55 C=C(F)COC/C=C(/C)\I b2a2f4ee90c1aff21fee1b28205f67f1 [0,2,0,0,0,0|2,0,0]=4 615 B9R0.55 C=C(F)COC/C=C(\C)/Cl 15113da18d0b88dfb5ed89f5042e2ca2 [0,2,0,0,0,0|2,0,0]=4 616 B9R0.55 C=C(F)COCC=C(C)C 70445c3c9b7d56db38d73d8ee707884f [0,2,0,0,0,0|1,0,0]=3 617 B9R0.55 C=C(F)COCC=C(C)Cl d8901fd17e77a089c9b7e892380b4f7d [0,2,0,0,0,0|2,0,0]=4 618 B9R0.55 C=C(F)COCC=C(C)I 8e6f59f79c730ebdd60811d9eec2dc24 [0,2,0,0,0,0|2,0,0]=4 619 B9R0.55 C=C(I)COC/C=C(/C)\I 3d4e2690c158b4ab2380fd139dd77fc7 [0,2,0,0,0,0|2,0,0]=4 620 B9R0.55 C=C(I)COC/C=C(\C)/Cl a12932b4cbab966f92fe56941df265a5 [0,2,0,0,0,0|2,0,0]=4 621 B9R0.55 C=C(I)COCC=C(C)C 33f1980dbfb98478e810e3abc8625382 [0,2,0,0,0,0|1,0,0]=3 622 B9R0.55 C=C(I)COCC=C(C)Cl 8ff758d38e64712ef1504e8a7faa307e [0,2,0,0,0,0|2,0,0]=4 623 B9R0.55 C=C(I)COCC=C(C)I 89db9a13f3534c8782694242ac596e8f [0,2,0,0,0,0|2,0,0]=4 624 B9R0.55 CC(=CCCOC(C)C)C 301a83615dab289582d19bb6d02e1adc [0,2,0,0,0,0|1,0,1]=4 625 B9R0.55 CC(=CCNCC(=O)N)C f294be375a520a8636b9688190e6e936 [0,2,0,0,0,0|1,0,0]=3 626 B9R0.55 CC(=CCNCC(=O)N)Cl a0e22eb292d81b1b600ec06891d9bc49 [0,2,0,0,0,0|2,0,0]=4 627 B9R0.55 CC(=CCNCC(=O)N)I 6b58cb7c34f6eaf2865e1c1c6b527c06 [0,2,0,0,0,0|2,0,0]=4 628 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [0,2,0,0,0,0|1,0,0]=3 629 B9R0.55 CC(=CCNCC(=O)O)Cl 6d8afa17fed8b33a695b60b47587d586 [0,2,0,0,0,0|2,0,0]=4 630 B9R0.55 CC(=CCNCC(=O)O)I e657b86155224eb6f1335bfe7dfa415c [0,2,0,0,0,0|2,0,0]=4 631 B9R0.55 CC(=CCNC[N+](=O)[O-])C e3c5a3c869198364e9471b6f743c3c86 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.55 CC(=CCOCC(=O)N)C 651a60c3a1d6fa1f11063ec39a68e8ab [0,2,0,0,0,0|0,0,0]=2 633 B9R0.55 CC(=CCOCC(=O)N)Cl 94c780c1a1b6bd8a8384b3dd69474d0c [0,2,0,0,0,0|1,0,0]=3 634 B9R0.55 CC(=CCOCC(=O)N)I 4b05901808d683f116472fac0f6f8449 [0,2,0,0,0,0|1,0,0]=3 635 B9R0.55 CC(=CCOCC(=O)O)C dd5792ad54701fa0e3373ee19c312e10 [0,2,0,0,0,0|0,0,0]=2 636 B9R0.55 CC(=CCOCC(=O)O)Cl 694c1884a37ad5555ea5d980bc801c56 [0,2,0,0,0,0|1,0,0]=3 637 B9R0.55 CC(=CCOCC(=O)O)I be3e61200a84664bfac9ff931641085e [0,2,0,0,0,0|1,0,0]=3 638 B9R0.55 CC(=CCOCC(=S)N)C 61efb5fc1c51539112632a05112a95ff [0,2,0,0,0,0|0,1,0]=3 639 B9R0.55 CC(=CCOCC(=S)N)Cl be34d74e36f0954451bbd21f2739eebf [0,2,0,0,0,0|1,1,0]=4 640 B9R0.55 CC(=CCOCC(=S)N)I c9463ac627d7e0aa0c9e876a8334cf4b [0,2,0,0,0,0|1,1,0]=4 641 B9R0.55 CC(=CCOCC(C)C)C cf6675097f885134069eafa3b89fa56a [0,2,0,0,0,0|1,0,1]=4 642 B9R0.55 CC(=CCOCC(C)F)C a7e7698c89b06045a15a1aa746b2b4c8 [0,2,0,0,0,0|1,0,1]=4 643 B9R0.55 CC(=CCOCC(C)S)C 85c3d2c34ddceefbcace42f3a260d071 [0,2,0,0,0,0|0,1,1]=4 644 B9R0.55 CC(=CCOCC(F)F)C 47a65a079daad11ee5d75ec9f07f4211 [0,2,0,0,0,0|1,0,1]=4 645 B9R0.55 CC(=CCOCN(C)C)C 376a56d2d31cfad1210da6692349aec6 [0,2,0,0,0,0|1,0,1]=4 646 B9R0.55 CC(=CCOCS(=O)O)C bba38f5b080fac2ce2c6fa8e5a394197 [0,2,0,0,0,0|0,0,1]=3 647 B9R0.55 CC(=CCOCS(=O)O)Cl c66bcaf786b7583e0860ad6c6554c276 [0,2,0,0,0,0|1,0,1]=4 648 B9R0.55 CC(=CCOCS(=O)O)I d88ce6731e4710dc3289ad8521d9bfa3 [0,2,0,0,0,0|1,0,1]=4 649 B9R0.55 CC(=CCOC[C@@H](C)F)C 3bd4b30bcd9ee82276ead29eecdcb741 [0,2,0,0,0,0|1,0,1]=4 650 B9R0.55 CC(=CCOC[C@H](C)F)C 7b7ff6dc44821eda5fdec9ec99f1da55 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.55 CC(=CCOC[N+](=O)[O-])C 80946ba857c9f6a77c9a7c9836cb5480 [0,2,0,0,0,0|0,0,1]=3 652 B9R0.55 CC(=CCOC[N+](=O)[O-])I 2285ef7db0fc8cde4fd648338ab725e8 [0,2,0,0,0,0|1,0,1]=4 653 B9R0.55 CC(=O)CCOCC(=O)C 974441e375e1fad064766c61157f7015 [0,2,0,0,0,0|1,0,1]=4 654 B9R0.55 CC(=O)CCOCC(=O)N 282ca2239418fd9eb0b111d82a9b4972 [0,2,0,0,0,0|1,0,1]=4 655 B9R0.55 CC(=O)CCOCC(=O)O 9074473ccbed0d52dad15c2ee2e3d18e [0,2,0,0,0,0|1,0,1]=4 656 B9R0.55 CC(=O)CNC/C=C(/C)\I 8fb64e54918c00681e3d99a3c8f3f6e7 [0,2,0,0,0,0|2,0,0]=4 657 B9R0.55 CC(=O)CNC/C=C(\C)/Cl d5af9dace4c6258cda58df27975c2a9d [0,2,0,0,0,0|2,0,0]=4 658 B9R0.55 CC(=O)CNCC=C(C)C 347004cda9a627e5bb1774daa03c36a7 [0,2,0,0,0,0|1,0,0]=3 659 B9R0.55 CC(=O)CNCC=C(C)Cl ed56f7cfb59eb5667273b8a933d4b1cd [0,2,0,0,0,0|2,0,0]=4 660 B9R0.55 CC(=O)CNCC=C(C)I f5c0e45984d261f29ab67880714cbfe7 [0,2,0,0,0,0|2,0,0]=4 661 B9R0.55 CC(=O)CNCOC(=O)C a9161550bc0d229e260db58308a89ece [0,2,0,0,0,0|1,0,1]=4 662 B9R0.55 CC(=O)COC/C=C(/C)\I bf77f737e591ff0a0d331bb835a367ad [0,2,0,0,0,0|1,0,0]=3 663 B9R0.55 CC(=O)COC/C=C(\C)/Cl 97820fc9c895056a3fd16fd9e20e1618 [0,2,0,0,0,0|1,0,0]=3 664 B9R0.55 CC(=O)COCC=C(C)C 0a1951a5fbff0d63456134d260dabed0 [0,2,0,0,0,0|0,0,0]=2 665 B9R0.55 CC(=O)COCC=C(C)Cl e65b9fb9d48377235c776a37400ea506 [0,2,0,0,0,0|1,0,0]=3 666 B9R0.55 CC(=O)COCC=C(C)I ce06a8d2b82099f7ec14341909a196f6 [0,2,0,0,0,0|1,0,0]=3 667 B9R0.55 CC(=O)COCC=C(Cl)Cl b3577abd038f0998f62badc7c4448821 [0,2,0,0,0,0|2,0,0]=4 668 B9R0.55 CC(=O)COCCC(C)C 6db7d2dfcb34356d041afbdf4ad10eaf [0,2,0,0,0,0|0,0,2]=4 669 B9R0.55 CC(=O)COCCN(C)C 08b5b324aa9c95ec96ce560d6ace1e6b [0,2,0,0,0,0|1,0,1]=4 670 B9R0.55 CC(=O)COCOC(=O)C 0a6d1225fe7bef34fcb9b1c236dba034 [0,2,0,0,0,0|1,0,1]=4 671 B9R0.55 CC(=O)COCOC(C)C c8c376ed0f894da9d085e516b4703885 [0,2,0,0,0,0|1,0,1]=4 672 B9R0.55 CC(=O)NCOCC(=O)N 77b1de6b1dd1d9e88406c226df9bf41b [0,2,0,0,0,0|2,0,0]=4 673 B9R0.55 CC(=O)NCOCC(=O)O 199bc2e8e5e1191f0ae1489131d4aa2e [0,2,0,0,0,0|2,0,0]=4 674 B9R0.55 CC(=O)OCCOC(C)C 47d9129c1599949f03f1848bfa090132 [0,2,0,0,0,0|0,0,2]=4 675 B9R0.55 CC(=O)OCNCC(C)C 73c52b46c778e94f160efebe7100b3ee [0,2,0,0,0,0|0,0,2]=4 676 B9R0.55 CC(=O)OCOCC(=O)N d52007acb020881c7af3682f9e955c44 [0,2,0,0,0,0|2,0,0]=4 677 B9R0.55 CC(=O)OCOCC(=O)O 420aa58c3d791b706016f7c13dd202fe [0,2,0,0,0,0|2,0,0]=4 678 B9R0.55 CC(=O)OCOCC(C)C 890e7bb626a73ee23682d1a24e4e5660 [0,2,0,0,0,0|0,0,2]=4 679 B9R0.55 CC(C)CCOCC(=O)N a6054c15c949445f04569adc9e755ebb [0,2,0,0,0,0|0,0,2]=4 680 B9R0.55 CC(C)CCOCC(=O)O e88766c3f11bcdb2fdb3cb88ad21cf09 [0,2,0,0,0,0|0,0,2]=4 681 B9R0.55 CC(C)OCOCC(=O)N b5a7ab3c0754aafe656207a497cdcf0d [0,2,0,0,0,0|1,0,1]=4 682 B9R0.55 CC(C)OCOCC(=O)O 185be0dff94a3b667aca878d046b91c5 [0,2,0,0,0,0|1,0,1]=4 683 B9R0.55 CN(C)CCOCC(=O)N 9f49915af320d245f81f03b513697896 [0,2,0,0,0,0|1,0,1]=4 684 B9R0.55 CN(C)CCOCC(=O)O 841429c0c14a54a981cd653dba3ce73c [0,2,0,0,0,0|1,0,1]=4 685 B9R0.55 NC(=O)COCC=C(Cl)Cl b9d55552abcae73ece0db6cea382f1f0 [0,2,0,0,0,0|2,0,0]=4 686 B9R0.55 O=C(O)COCC=C(Cl)Cl dab45238d99e1de543d9e0b54c049d3c [0,2,0,0,0,0|2,0,0]=4 687 B9R0.3 CC(C)(C)C(=O)CNC=O d6dc25f681505aec0c8572598575482c [0,2,0,0,0,0|1,0,1]=4 688 B9R0.7 CC(=O)NCC(=O)N(C)C 728ab76dac26ac01dc3ab295135b48d7 [0,2,0,0,0,0|2,0,0]=4 689 B9R0.7 CC(=O)OCN(C)C(C)C d1ebe6c410268e0baa452260763bf686 [0,2,0,0,0,0|1,0,1]=4 690 B9R0.42 CN(C=O)CC(=O)N(C)C 2f75e2f309815e6db06bf162cf3c7c9d [0,2,0,0,0,0|2,0,0]=4 691 B9R0.56 CC(=O)OCNC(C)(C)C b83433bb442b5fd68635d3d5756f7cca [0,2,0,0,0,0|1,0,1]=4 692 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [1,0,0,1,0,0|1,0,1]=4 693 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [1,0,0,1,0,0|1,0,1]=4 694 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [1,0,0,1,0,0|1,0,1]=4 695 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [1,0,0,1,0,0|1,0,1]=4 696 B7R1.23 CC1(CN1C=O)C 554667b638ac8d632390465d91f13ad0 [1,0,0,1,0,0|1,0,1]=4 697 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [1,0,0,1,0,0|1,0,0]=3 698 B9R1.1 O=CN1CC=C(CC1)Br 58054df595e2bfde40e69827d3bf0200 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.2 CCN1CCOC(=O)C1 3f4941c9ffb61ce7dcae55397d747220 [0,1,0,1,0,0|1,0,1]=4 700 B9R1.2 O=C1CN(CCO1)CF c923694c0bf9f6f1496b855a5b8b01b2 [0,1,0,1,0,0|1,0,1]=4 701 B9R1.2 O=C1CN(CCO1)CO 8db94e8adcec68c019e224a8c72e73db [0,1,0,1,0,0|1,0,1]=4 702 B9R1.16 C=C1CC1COCC=O 7f6ec6e86d366d9e7d9e644038616b90 [0,1,0,1,0,0|0,0,2]=4 703 B9R1.16 CC1CC1COCC=O e38c4912a5bd244cfef6cdfcd630eadf [0,1,0,1,0,0|0,0,2]=4 704 B9R1.16 C[C@@H]1C[C@H]1COCC=O 7ae74dfc03906b5b41f7f9d5bbdb763b [0,1,0,1,0,0|0,0,2]=4 705 B9R1.16 C[C@H]1C[C@@H]1COCC=O b02f0ce03a967d9b5a7484bce5693d9b [0,1,0,1,0,0|0,0,2]=4 706 B9R1.16 C[C@H]1C[C@H]1COCC=O c17ac892c3cf503bcc9858e0bcb45921 [0,1,0,1,0,0|0,0,2]=4 707 B9R1.135 CN1C[C@@H](C1=O)NC=O 778f2bc9f339fce4a5d1dd5b3b3f0c18 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.135 CN1C[C@H](C1=O)NC=O 2998752205a860b6c21a95fab28d5cc9 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.9 CC1CC(C1)OCC=O 0d59e4bb94b77ec144f5dd7165775259 [0,1,0,1,0,0|0,0,2]=4 710 B9R1.9 CN1CC(C1)OCC=O 3b6b6c10201587c6609e37a5efd1c4c2 [0,1,0,1,0,0|1,0,1]=4 711 B9R1.9 O=CCOC1CC(=O)C1 ff5f98bc8a759bd102cb279db1f09b76 [0,1,0,1,0,0|1,0,1]=4 712 B9R1.83 O=CCOCCC1CC1 e95c5fc4c9f9574f689822c866eeb674 [0,1,0,1,0,0|0,0,2]=4 713 B9R1.83 O=CCOCCN1CC1 e180a4a310ef673098f7407d6614588a [0,1,0,1,0,0|1,0,1]=4 714 B9R1.83 O=COCCOC1CC1 827a5d8c0ec3a0e23501930474206359 [0,1,0,1,0,0|0,0,2]=4 715 B9R1.85 CC(=CCOC1CC1)C fb2ba3e4640ae727aacf55024545cd2d [0,1,0,1,0,0|1,0,1]=4 716 B9R1.85 CC(=O)OCNC1CC1 da62e5e32d1f81a77a949f5af5a6b75f [0,1,0,1,0,0|1,0,1]=4 717 B9R1.85 CC(=O)OCOC1CC1 629a62a109941175cd54150945f4f00b [0,1,0,1,0,0|1,0,1]=4