0 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.2 CCNC#N d0f03dd102d2d8b7abe705087df6ba79 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 C#CC(C)NCC 85cc62c068fe8347941753880600425b [0,1,0,0,0,0|2,0,1]=4 6 B6R0.1 C#CC(C)OCC 788c44cbb46959d6943b8cac1e896fa7 [0,1,0,0,0,0|1,0,1]=3 7 B6R0.1 C#CC(C)OCF 49e9b130a26815265491d4c3a424ec61 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,1,0,0,0,0|1,0,1]=3 10 B6R0.1 C#C[C@@H](C)OCF 84c9a69113565387c92718924a808d76 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,1,0,0,0,0|1,0,1]=3 13 B6R0.1 C#C[C@H](C)OCF 8667845c9da8dd8e24b1d3a8f6a93aa8 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,1,0,0,0,0|0,0,1]=2 15 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,1,0,0,0,0|1,0,1]=3 18 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,1,0,0,0,0|1,0,1]=3 20 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,1,0,0,0,0|2,0,1]=4 21 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,1,0,0,0,0|1,1,1]=4 24 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|2,0,0]=3 27 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,1,0,0,0,0|1,0,2]=4 33 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|0,0,1]=2 38 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,1,0,0,0,0|1,0,1]=3 39 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,1,0,0,0,0|0,1,1]=3 41 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,1,0,0,0,0|1,0,1]=3 42 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,1,0,0,0,0|0,1,1]=3 44 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,1,0,0,0,0|2,0,1]=4 46 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|3,0,0]=4 48 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,1,0,0,0,0|1,1,1]=4 49 B6R0.1 N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,1,0,0,0,0|2,0,1]=4 51 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [0,1,0,0,0,0|2,0,1]=4 54 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,1,0,0,0,0|1,0,1]=3 55 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.4 C=C(Br)COCF 692f2becec52dcdf557b19f93fe68748 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,1,0,0,0,0|2,0,0]=3 60 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,1,0,0,0,0|3,0,0]=4 61 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,1,0,0,0,0|2,0,0]=3 64 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.4 C=C(Cl)COCF ca79da42122b4115d17b6448109deb3c [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,1,0,0,0,0|1,0,1]=3 67 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.4 C=C(I)COCF 7e74b05c12bc279148db4a6a8dd56e90 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,1,0,0,0,0|2,0,0]=3 73 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,1,0,0,0,0|1,0,0]=2 76 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,1,0,0,0,0|1,0,0]=2 77 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,1,0,0,0,0|1,0,0]=2 78 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [0,1,0,0,0,0|2,0,1]=4 83 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,1,0,0,0,0|1,0,1]=3 89 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [0,1,0,0,0,0|1,1,1]=4 92 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,1,0,0,0,0|2,0,1]=4 99 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,1,0,0,0,0|0,0,0]=1 103 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,1,0,0,0,0|1,0,0]=2 104 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,1,0,0,0,0|1,1,0]=3 106 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,1,0,0,0,0|1,0,1]=3 107 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,1,0,0,0,0|1,0,1]=3 108 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,1,0,0,0,0|0,1,1]=3 109 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,1,0,0,0,0|1,0,1]=3 112 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,1,0,0,0,0|1,0,1]=3 114 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [0,1,0,0,0,0|2,0,1]=4 117 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,1,0,0,0,0|3,0,0]=4 118 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,1,0,0,0,0|3,0,0]=4 119 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,1,0,0,0,0|2,0,0]=3 120 B6R0.4 NC(=S)COCF 656cb42c290d81f49517967a9160e9b8 [0,1,0,0,0,0|2,1,0]=4 121 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,1,0,0,0,0|3,0,0]=4 122 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.5 CCNC(C)(C)C 075494290386c2ca265fcbc967febc26 [0,1,0,0,0,0|2,0,1]=4 126 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [0,0,0,1,0,0|1,0,1]=3 128 B6R1.3 FCOC1CC1 c80b7a723f6ace17df2859b2130f1eb6 [0,0,0,1,0,0|2,0,1]=4 129 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,1,0,0,0,0|1,0,0]=3 130 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [1,1,0,0,0,0|2,0,0]=4 132 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,1,0,0,0,0|0,0,2]=4 134 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,1,0,0,0,0|1,0,0]=3 135 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,1,0,0,0,0|2,0,0]=4 138 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,1,0,0,0,0|0,0,1]=3 139 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,1,0,0,0,0|1,0,1]=4 143 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,1,0,0,0,0|0,0,2]=4 146 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,1,0,0,0,0|0,0,1]=3 147 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,1,0,0,0,0|0,0,1]=3 148 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,1,0,0,0,0|0,0,1]=3 149 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,1,0,0,0,0|1,0,1]=4 150 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,1,0,0,0,0|1,0,1]=4 151 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [1,1,0,0,0,0|1,0,1]=4 153 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,1,0,0,0,0|1,0,0]=3 154 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,1,0,0,0,0|1,0,0]=3 155 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,1,0,0,0,0|1,0,0]=3 156 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,2,0,0,0,0|1,0,0]=3 159 B7R0.2 C#CC(C)OC(C)C bd395c473397c0df03907e2995614562 [0,2,0,0,0,0|1,0,1]=4 160 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,2,0,0,0,0|1,0,0]=3 161 B7R0.2 C#C[C@@H](C)OC(C)C 57b406fc1bff6e055637741c210d864a [0,2,0,0,0,0|1,0,1]=4 162 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,2,0,0,0,0|1,0,0]=3 163 B7R0.2 C#C[C@H](C)OC(C)C 20fe24039694ac0ddbbae904a1c50c14 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,2,0,0,0,0|2,0,0]=4 165 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [0,2,0,0,0,0|0,0,1]=3 166 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,2,0,0,0,0|1,0,0]=3 167 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,2,0,0,0,0|1,0,1]=4 169 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,2,0,0,0,0|1,0,0]=3 171 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,2,0,0,0,0|1,0,0]=3 173 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.2 CC(C)OC(C)C#N d367aad557142d52591f863ae6f1ec70 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,2,0,0,0,0|0,0,1]=3 176 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,2,0,0,0,0|1,0,1]=4 177 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,2,0,0,0,0|0,1,1]=4 178 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,2,0,0,0,0|0,0,1]=3 179 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,2,0,0,0,0|0,1,1]=4 180 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [0,2,0,0,0,0|2,0,0]=4 181 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,2,0,0,0,0|1,0,0]=3 182 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,2,0,0,0,0|2,0,0]=4 184 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,2,0,0,0,0|2,0,0]=4 185 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,2,0,0,0,0|1,0,1]=4 189 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [0,2,0,0,0,0|2,0,0]=4 190 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,2,0,0,0,0|1,0,1]=4 192 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,2,0,0,0,0|1,0,1]=4 194 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.3 C#CC(C)OCCF 7774b00cacd5f01f93b97c582c22aebc [0,2,0,0,0,0|1,0,1]=4 198 B7R0.3 C#CC(C)OCCS 677d2cf41c5776b9322f569b2e20ad78 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.3 C#CC(C)OCOC f493f96c2be9b9205978c019e3195ea7 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,2,0,0,0,0|1,0,1]=4 202 B7R0.3 C#CCNC(=O)CF eb4eda342cbed92c949eab745f85779c [0,2,0,0,0,0|1,0,1]=4 203 B7R0.3 C#CCNC(=O)CO 2c93e118ea6c2ce38cf0db5343c819bd [0,2,0,0,0,0|1,0,1]=4 204 B7R0.3 C#CCNC(=O)CS cd4e37f8b8830653a130a09363dce8f6 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.3 C#CCOC(=C)C=O ced1e021bc6a744880f2ef348f605d5b [0,2,0,0,0,0|0,0,2]=4 206 B7R0.3 C#CCOC(C)C=O 5e078bffbbf24660e1e42ec455de06b7 [0,2,0,0,0,0|0,0,2]=4 207 B7R0.3 C#CCO[C@H](C)C=O 3dffa8d1b413bae459ea6e9776898d1a [0,2,0,0,0,0|0,0,2]=4 208 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [0,2,0,0,0,0|1,0,1]=4 209 B7R0.3 C#C[C@@H](C)OCCF 3310abc989f1679a61ca80b2a539306c [0,2,0,0,0,0|1,0,1]=4 210 B7R0.3 C#C[C@@H](C)OCCS 4e04a11dc65e84e3c6145d59508cdb0d [0,2,0,0,0,0|1,0,1]=4 211 B7R0.3 C#C[C@@H](C)OCOC b5f2510f611fba5c0b90597284089504 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.3 C#C[C@H](C)OCCF 16f3c962063cbc9a1612a19a77fc207b [0,2,0,0,0,0|1,0,1]=4 215 B7R0.3 C#C[C@H](C)OCCS 42ab997997a9001ee9da9446c6900cb0 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.3 C#C[C@H](C)OCOC 7a874ba6eb8c315241b513f50f519c90 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,2,0,0,0,0|1,0,1]=4 218 B7R0.3 C/C(=C\I)/COCF fbb2d4ba845303b213c9d89902813b40 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.3 C=C(C#N)COCC 0c840f773075998533681b448d00e61c [0,2,0,0,0,0|1,0,1]=4 220 B7R0.3 C=C(C=O)OCC#N bcebcba3ad02786b6cd38de5985d1826 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,2,0,0,0,0|0,0,1]=3 223 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,2,0,0,0,0|0,0,1]=3 224 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,2,0,0,0,0|0,0,1]=3 225 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,2,0,0,0,0|0,0,1]=3 226 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,2,0,0,0,0|0,0,1]=3 227 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,2,0,0,0,0|1,0,1]=4 229 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,2,0,0,0,0|1,0,1]=4 230 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,2,0,0,0,0|1,0,1]=4 234 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,2,0,0,0,0|1,0,1]=4 237 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,2,0,0,0,0|1,0,1]=4 238 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.3 C=CCOC(=C)C=O e6886899fd17c4b0e35e10fadb840144 [0,2,0,0,0,0|0,0,2]=4 240 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [0,2,0,0,0,0|0,0,2]=4 241 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,2,0,0,0,0|1,0,1]=4 242 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,2,0,0,0,0|1,0,1]=4 245 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,2,0,0,0,0|1,0,1]=4 246 B7R0.3 CC(=CI)COCF e6e0a6a2b924cee37e772cc08be340ea [0,2,0,0,0,0|2,0,0]=4 247 B7R0.3 CC(C#N)OCCS 54ef71d430fa96d7cb92c30410fb9da9 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,2,0,0,0,0|1,0,1]=4 249 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,2,0,0,0,0|1,0,1]=4 250 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,2,0,0,0,0|1,0,1]=4 251 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,2,0,0,0,0|1,0,1]=4 252 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [0,2,0,0,0,0|0,0,2]=4 254 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,2,0,0,0,0|0,0,2]=4 255 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,2,0,0,0,0|0,0,1]=3 256 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|0,0,1]=3 257 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [0,2,0,0,0,0|0,1,1]=4 260 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [0,2,0,0,0,0|0,1,1]=4 261 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,2,0,0,0,0|1,0,0]=3 262 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,2,0,0,0,0|1,0,0]=3 267 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,2,0,0,0,0|1,0,1]=4 269 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,2,0,0,0,0|1,0,1]=4 270 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,2,0,0,0,0|2,0,0]=4 273 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,2,0,0,0,0|1,0,1]=4 274 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,2,0,0,0,0|1,0,0]=3 277 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,2,0,0,0,0|1,0,0]=3 278 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,2,0,0,0,0|1,0,1]=4 280 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,2,0,0,0,0|0,0,1]=3 282 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,2,0,0,0,0|0,1,1]=4 285 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,2,0,0,0,0|1,0,1]=4 286 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,2,0,0,0,0|0,0,1]=3 287 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,2,0,0,0,0|0,1,1]=4 289 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,2,0,0,0,0|1,0,0]=3 290 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,2,0,0,0,0|2,0,0]=4 291 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,2,0,0,0,0|1,0,0]=3 292 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,2,0,0,0,0|0,0,0]=2 295 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,2,0,0,0,0|0,0,0]=2 296 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,2,0,0,0,0|0,0,0]=2 297 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,2,0,0,0,0|1,0,1]=4 300 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,2,0,0,0,0|0,0,2]=4 301 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,2,0,0,0,0|0,1,1]=4 303 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,2,0,0,0,0|1,0,1]=4 305 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,2,0,0,0,0|0,0,2]=4 306 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,2,0,0,0,0|0,0,2]=4 308 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,2,0,0,0,0|1,0,1]=4 311 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,2,0,0,0,0|1,0,1]=4 312 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,2,0,0,0,0|1,0,1]=4 315 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,2,0,0,0,0|1,0,1]=4 316 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,2,0,0,0,0|2,0,0]=4 317 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,2,0,0,0,0|2,0,0]=4 318 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,2,0,0,0,0|2,0,0]=4 319 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,2,0,0,0,0|2,0,0]=4 321 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.3 COCOC(C)C#N 85e904d8cb0c25f94e972581402e1470 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,2,0,0,0,0|0,0,1]=3 326 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,2,0,0,0,0|0,0,1]=3 328 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,2,0,0,0,0|2,0,0]=4 329 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,2,0,0,0,0|0,0,1]=3 330 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,2,0,0,0,0|1,0,1]=4 331 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,2,0,0,0,0|0,1,1]=4 332 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,2,0,0,0,0|0,1,1]=4 333 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,2,0,0,0,0|1,0,1]=4 334 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,2,0,0,0,0|1,0,1]=4 335 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,2,0,0,0,0|1,0,1]=4 336 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,2,0,0,0,0|1,0,1]=4 337 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,2,0,0,0,0|1,0,1]=4 338 B7R0.3 C[C@H](C=O)OCC#N a51c72275e2be0c3e4b80eaa109e7244 [0,2,0,0,0,0|0,0,2]=4 339 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,2,0,0,0,0|0,0,1]=3 340 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,2,0,0,0,0|0,0,1]=3 341 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [0,2,0,0,0,0|0,1,1]=4 342 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [0,2,0,0,0,0|0,1,1]=4 343 B7R0.3 N#CCNC(=O)CF 22102b1fd1778f1d4d858f860cd4e7f5 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.3 N#CCNC(=O)CO 8dbd9904ced2105da92f338ff81f2cd3 [0,2,0,0,0,0|1,0,1]=4 345 B7R0.3 N#CCNC(=O)CS 86a7da4cf1eaa1e98a4819073113dcc9 [0,2,0,0,0,0|1,0,1]=4 346 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,2,0,0,0,0|1,0,0]=3 349 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,2,0,0,0,0|1,0,0]=3 351 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,2,0,0,0,0|1,0,0]=3 352 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,2,0,0,0,0|1,0,0]=3 353 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,2,0,0,0,0|1,0,0]=3 354 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,2,0,0,0,0|1,0,0]=3 357 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,2,0,0,0,0|1,0,0]=3 358 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,2,0,0,0,0|1,0,0]=3 359 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,2,0,0,0,0|1,0,0]=3 360 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,2,0,0,0,0|1,0,1]=4 363 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.5 C#CCN(C)C(=O)C 4c2838202c8d4a7447032fb8e60c10bd [0,2,0,0,0,0|1,0,1]=4 367 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,2,0,0,0,0|1,0,0]=3 369 B7R0.5 CC(=O)N(C)CC#N cce5ba08a0b5b4e42f2a8adc17c92fd8 [0,2,0,0,0,0|1,0,1]=4 370 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,2,0,0,0,0|1,0,1]=4 373 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,2,0,0,0,0|1,0,1]=4 374 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,2,0,0,0,0|1,0,0]=3 375 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,2,0,0,0,0|2,0,0]=4 378 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,2,0,0,0,0|1,0,1]=4 379 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,2,0,0,0,0|1,0,1]=4 380 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,2,0,0,0,0|1,0,1]=4 381 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,2,0,0,0,0|0,0,0]=2 383 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,2,0,0,0,0|0,0,1]=3 384 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,2,0,0,0,0|0,0,1]=3 385 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,2,0,0,0,0|0,1,1]=4 387 B7R0.5 CCOC(C)C(F)F 6f25fcdcd396a613a3486f9e7e152366 [0,2,0,0,0,0|1,0,1]=4 388 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,2,0,0,0,0|0,0,1]=3 389 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,2,0,0,0,0|0,0,1]=3 390 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,2,0,0,0,0|1,0,1]=4 391 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,2,0,0,0,0|0,0,1]=3 392 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,2,0,0,0,0|0,0,1]=3 393 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,2,0,0,0,0|1,0,1]=4 394 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,2,0,0,0,0|1,0,1]=4 395 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,2,0,0,0,0|1,0,1]=4 396 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,2,0,0,0,0|1,0,1]=4 397 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,2,0,0,0,0|1,0,1]=4 399 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,2,0,0,0,0|1,0,1]=4 400 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,2,0,0,0,0|1,0,1]=4 401 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,2,0,0,0,0|1,0,1]=4 402 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,2,0,0,0,0|1,0,1]=4 403 B7R0.7 CC#CC(C)OCC 7d169bd73109df0adecd56f315bb5686 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,2,0,0,0,0|1,0,1]=4 405 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [0,2,0,0,0,0|1,0,1]=4 406 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,2,0,0,0,0|0,1,0]=3 407 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [0,2,0,0,0,0|1,1,0]=4 408 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,2,0,0,0,0|2,0,0]=4 411 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,2,0,0,0,0|1,0,1]=4 412 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,2,0,0,0,0|1,0,1]=4 413 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,2,0,0,0,0|1,0,1]=4 414 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [0,2,0,0,0,0|1,0,1]=4 415 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,2,0,0,0,0|0,0,2]=4 416 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,2,0,0,0,0|0,1,1]=4 417 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [0,2,0,0,0,0|1,0,1]=4 418 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,2,0,0,0,0|0,0,2]=4 419 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [0,2,0,0,0,0|1,0,1]=4 420 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,2,0,0,0,0|0,0,2]=4 421 B7R0.10 C#CC(=O)N(C)CC 4f67029623c6e5ee152bff61a129616e [0,2,0,0,0,0|1,0,1]=4 422 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,2,0,0,0,0|1,0,1]=4 423 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,2,0,0,0,0|1,0,0]=3 424 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,2,0,0,0,0|2,0,0]=4 425 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,2,0,0,0,0|1,0,1]=4 426 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,2,0,0,0,0|1,0,0]=3 427 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,2,0,0,0,0|1,0,0]=3 428 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,2,0,0,0,0|1,0,0]=3 429 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,2,0,0,0,0|1,0,1]=4 430 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,2,0,0,0,0|1,0,1]=4 431 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,2,0,0,0,0|1,0,1]=4 433 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [0,2,0,0,0,0|1,0,1]=4 435 B7R0.12 CCOC(CBr)CBr d03e7afda2ca8d59d0335adb3716d943 [0,2,0,0,0,0|1,0,1]=4 436 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,2,0,0,0,0|1,0,1]=4 437 B7R0.12 CCOC(CCl)CBr 76ba5a657a7ea572d523f589d344dc39 [0,2,0,0,0,0|1,0,1]=4 438 B7R0.12 CCOC(CCl)CCl ce294a182f4713785d493074caf459e2 [0,2,0,0,0,0|1,0,1]=4 439 B7R0.12 CCOC(CF)CF ce94a3a5b0a102e0773db6b18934a605 [0,2,0,0,0,0|1,0,1]=4 440 B7R0.12 CCO[C@@H](CCl)CI 960e9d223c1c4a6537b1692e0aa03922 [0,2,0,0,0,0|1,0,1]=4 441 B7R0.12 CCO[C@H](CCl)CI eaef576ad3d7bec19924ce3c27aa4ce5 [0,2,0,0,0,0|1,0,1]=4 442 B7R0.9 CC(=O)NC(C)(C)C a1c7999946c2b3954cecc4a7e85b6160 [0,2,0,0,0,0|1,0,0]=3 443 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,2,0,0,0,0|1,0,0]=3 444 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,2,0,0,0,0|1,0,0]=3 445 B7R0.4 C#CCCOC(C)C 742a793a3d568179dfa9ddcdeebb6426 [0,2,0,0,0,0|1,0,1]=4 446 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,2,0,0,0,0|1,0,1]=4 447 B7R0.4 C#CCOCC(=C)C 0bc01d270f03a65c7ca43642aedfcda7 [0,2,0,0,0,0|1,0,1]=4 448 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,2,0,0,0,0|0,0,1]=3 449 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,2,0,0,0,0|1,0,1]=4 450 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,2,0,0,0,0|1,0,1]=4 451 B7R0.4 C/C(=C/COCF)/Cl ccb17a4eecc3091faafab504472f0bc7 [0,2,0,0,0,0|2,0,0]=4 452 B7R0.4 C/C(=C/COCF)/I 3c1d6b60b36a518dc432453d68bfeeb4 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [0,2,0,0,0,0|1,0,1]=4 454 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [0,2,0,0,0,0|1,0,1]=4 455 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,2,0,0,0,0|1,0,1]=4 456 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,2,0,0,0,0|1,0,1]=4 457 B7R0.4 C=C(Br)COCCF cd028c386ab5c9854ed6d44716188962 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.4 C=C(Br)COCCS 2f018ef17191cca522d54112a5eff02e [0,2,0,0,0,0|1,0,1]=4 459 B7R0.4 C=C(Br)COCOC 07b1b57eb717a0955e8242d74555e9c9 [0,2,0,0,0,0|1,0,1]=4 460 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,2,0,0,0,0|1,0,1]=4 461 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,2,0,0,0,0|2,0,0]=4 464 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,2,0,0,0,0|1,0,0]=3 465 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,2,0,0,0,0|2,0,0]=4 466 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,2,0,0,0,0|2,0,0]=4 469 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,2,0,0,0,0|2,0,0]=4 472 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,2,0,0,0,0|2,0,0]=4 474 B7R0.4 C=C(C)COCC#N 003a80dc4db062561188210b3f291dbe [0,2,0,0,0,0|1,0,1]=4 475 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,2,0,0,0,0|1,0,1]=4 476 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,2,0,0,0,0|1,0,0]=3 477 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,2,0,0,0,0|1,0,0]=3 478 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,2,0,0,0,0|1,0,0]=3 479 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,2,0,0,0,0|1,0,0]=3 480 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,2,0,0,0,0|1,0,0]=3 481 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.4 C=C(Cl)COCCF bfeec13c0fc32fddad28bd44930cedd4 [0,2,0,0,0,0|1,0,1]=4 483 B7R0.4 C=C(Cl)COCCS bed65824f0d2b594a8ec24439f554b14 [0,2,0,0,0,0|1,0,1]=4 484 B7R0.4 C=C(Cl)COCOC e9c971b961a0dc4c5fdf312f58d6132b [0,2,0,0,0,0|1,0,1]=4 485 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.4 C=C(F)COCCF b7eb1549e162ff12acf84ad5b4d7b85c [0,2,0,0,0,0|1,0,1]=4 488 B7R0.4 C=C(F)COCCS 6f04acbd4df5b3ab276bec02cf9e105d [0,2,0,0,0,0|1,0,1]=4 489 B7R0.4 C=C(F)COCOC 22d1787a226644b1c135149de6654075 [0,2,0,0,0,0|1,0,1]=4 490 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,2,0,0,0,0|1,0,1]=4 492 B7R0.4 C=C(I)COCCF a7f60a4ec955fff2b06cd1137598c7d9 [0,2,0,0,0,0|1,0,1]=4 493 B7R0.4 C=C(I)COCCS 5fc097c1866a8915a26e31c2327c798c [0,2,0,0,0,0|1,0,1]=4 494 B7R0.4 C=C(I)COCOC ab47bd677ec4bd30c526b4cd90bad9b3 [0,2,0,0,0,0|1,0,1]=4 495 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,2,0,0,0,0|1,0,1]=4 496 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,2,0,0,0,0|1,0,0]=3 497 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,2,0,0,0,0|1,0,1]=4 498 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,2,0,0,0,0|1,0,1]=4 499 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,2,0,0,0,0|1,0,1]=4 500 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,2,0,0,0,0|0,0,1]=3 501 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,2,0,0,0,0|1,0,1]=4 502 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,2,0,0,0,0|1,0,1]=4 503 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [0,2,0,0,0,0|1,0,0]=3 504 B7R0.4 CC#CCOC(C)C 6e8db9745cabe9183b9bff9444d41366 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.4 CC(=CCNCF)C 3984891f07cfe78b7ee7bd273d4f999d [0,2,0,0,0,0|2,0,0]=4 506 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [0,2,0,0,0,0|2,0,0]=4 507 B7R0.4 CC(=CCOCF)C c25b592aef4d9f50b5494c475de951b8 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.4 CC(=CCOCF)I ba2122f4ea4634e790cdf077ca544e33 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,2,0,0,0,0|1,0,1]=4 512 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,2,0,0,0,0|1,0,1]=4 513 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,2,0,0,0,0|1,0,0]=3 514 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,2,0,0,0,0|1,0,0]=3 515 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,2,0,0,0,0|1,0,0]=3 516 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,2,0,0,0,0|0,0,1]=3 517 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,2,0,0,0,0|0,0,1]=3 518 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,2,0,0,0,0|0,0,0]=2 519 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,2,0,0,0,0|0,0,0]=2 520 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,2,0,0,0,0|1,0,0]=3 522 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,2,0,0,0,0|1,0,0]=3 523 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,2,0,0,0,0|1,0,0]=3 524 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,2,0,0,0,0|1,0,0]=3 525 B7R0.4 CC(=O)OCNC#N 09ae158eda2ed3ea4692af8a683aae11 [0,2,0,0,0,0|0,0,1]=3 526 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [0,2,0,0,0,0|1,0,1]=4 527 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [0,2,0,0,0,0|1,0,1]=4 528 B7R0.4 CC(C)OCCC#N fd21c0fde146e79c4d1d9956f568a2be [0,2,0,0,0,0|1,0,1]=4 529 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,2,0,0,0,0|1,0,1]=4 530 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [0,2,0,0,0,0|1,0,1]=4 532 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [0,2,0,0,0,0|1,0,1]=4 534 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [0,2,0,0,0,0|0,1,1]=4 535 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [0,2,0,0,0,0|0,1,1]=4 536 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,2,0,0,0,0|1,0,0]=3 539 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,2,0,0,0,0|1,0,1]=4 540 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,2,0,0,0,0|1,0,0]=3 541 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,2,0,0,0,0|0,0,0]=2 544 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,2,0,0,0,0|1,0,0]=3 545 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,2,0,0,0,0|1,0,0]=3 546 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,2,0,0,0,0|1,1,0]=4 547 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,2,0,0,0,0|1,0,1]=4 548 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,2,0,0,0,0|0,1,1]=4 550 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,2,0,0,0,0|2,0,0]=4 551 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,2,0,0,0,0|1,0,1]=4 553 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,2,0,0,0,0|2,0,0]=4 555 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,2,0,0,0,0|2,0,0]=4 557 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,2,0,0,0,0|2,0,0]=4 558 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,2,0,0,0,0|1,0,0]=3 562 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.4 CCOCC=C(Cl)Cl aa420eee9e85e57fd046661e3d34ce27 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,2,0,0,0,0|0,0,0]=2 565 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,2,0,0,0,0|1,0,0]=3 566 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,2,0,0,0,0|1,0,0]=3 567 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,2,0,0,0,0|1,0,1]=4 568 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,2,0,0,0,0|2,0,0]=4 569 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,2,0,0,0,0|1,0,0]=3 570 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,2,0,0,0,0|2,0,0]=4 571 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,2,0,0,0,0|0,0,0]=2 572 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,2,0,0,0,0|1,0,0]=3 573 B7R0.4 CCOCOC(C)C fcb36bcabbd9c702db3bb59956b361ad [0,2,0,0,0,0|1,0,1]=4 574 B7R0.4 CN(C)COCCF 62f55da4c28b5a6853579355e2be444c [0,2,0,0,0,0|2,0,0]=4 575 B7R0.4 CN(C)COCCS a425fbb521a3fbcb18e120f8fcba5ba5 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,2,0,0,0,0|1,0,0]=3 577 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,2,0,0,0,0|1,0,1]=4 578 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,2,0,0,0,0|1,0,0]=3 579 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,2,0,0,0,0|2,0,0]=4 580 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,2,0,0,0,0|2,0,0]=4 581 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,2,0,0,0,0|0,0,0]=2 582 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,2,0,0,0,0|1,0,0]=3 583 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.4 COCOCC(=S)N ee294cd5168f479d523c3c4651082b74 [0,2,0,0,0,0|1,1,0]=4 585 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,2,0,0,0,0|1,0,1]=4 586 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,2,0,0,0,0|1,0,1]=4 587 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,2,0,0,0,0|0,1,1]=4 588 B7R0.4 COCOCN(C)C 2b73113c43069b14e14fe8858206fc7d [0,2,0,0,0,0|2,0,0]=4 589 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,2,0,0,0,0|2,0,0]=4 590 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.4 COCOC[N+](=O)[O-] 54bbc30812908559dc136bad18aef36a [0,2,0,0,0,0|2,0,0]=4 593 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [0,2,0,0,0,0|2,0,0]=4 594 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,2,0,0,0,0|2,0,0]=4 596 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,2,0,0,0,0|1,0,0]=3 597 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,2,0,0,0,0|1,0,1]=4 598 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,2,0,0,0,0|2,0,0]=4 600 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,2,0,0,0,0|2,0,0]=4 601 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,2,0,0,0,0|0,0,0]=2 602 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,2,0,0,0,0|1,0,0]=3 603 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,2,0,0,0,0|1,0,0]=3 604 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,2,0,0,0,0|1,1,0]=4 605 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,2,0,0,0,0|0,1,1]=4 608 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,2,0,0,0,0|1,0,1]=4 610 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [0,2,0,0,0,0|1,0,1]=4 612 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [0,2,0,0,0,0|1,0,1]=4 613 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [0,2,0,0,0,0|1,0,1]=4 615 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,2,0,0,0,0|1,0,1]=4 616 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,2,0,0,0,0|1,0,1]=4 617 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,2,0,0,0,0|2,0,0]=4 621 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,2,0,0,0,0|2,0,0]=4 622 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,2,0,0,0,0|2,0,0]=4 624 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,2,0,0,0,0|1,0,0]=3 627 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,2,0,0,0,0|1,0,0]=3 628 B7R0.4 NC(=O)NCOCF 223fa95252602925b8cb08f5b19a776e [0,2,0,0,0,0|2,0,0]=4 629 B7R0.4 NC(=S)COCCF 8a5f1604a4177fa750cc685bdfff5a09 [0,2,0,0,0,0|1,1,0]=4 630 B7R0.4 NC(=S)COCCS d0f39cb8cbdd46f7cd10195660ea1028 [0,2,0,0,0,0|1,1,0]=4 631 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,2,0,0,0,0|2,0,0]=4 632 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,2,0,0,0,0|2,0,0]=4 634 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,2,0,0,0,0|2,0,0]=4 638 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,2,0,0,0,0|2,0,0]=4 639 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,2,0,0,0,0|1,0,0]=3 640 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,2,0,0,0,0|1,0,0]=3 641 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,2,0,0,0,0|1,0,1]=4 642 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [0,2,0,0,0,0|2,0,0]=4 643 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [0,2,0,0,0,0|2,0,0]=4 644 B7R0.4 O=[N+]([O-])COCCF 7f34e8cd8176ba8269c13784fe80127e [0,2,0,0,0,0|2,0,0]=4 645 B7R0.4 O=[N+]([O-])COCCS 3483ea2430a9838c713aea5e4187205b [0,2,0,0,0,0|2,0,0]=4 646 B7R0.6 C=C(Br)CNC(=O)C c92ce6fe27dbf36b4b4cd43120064bb5 [0,2,0,0,0,0|1,0,1]=4 647 B7R0.6 C=C(Br)COC(C)C 85740d76b7c2437207f473c522fb5652 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,2,0,0,0,0|1,0,0]=3 649 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,2,0,0,0,0|2,0,0]=4 650 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,2,0,0,0,0|1,0,0]=3 651 B7R0.6 C=C(Cl)COC(C)C 83e9098a63a39f58f2f10cb0166f135d [0,2,0,0,0,0|1,0,1]=4 652 B7R0.6 C=C(I)COC(C)C 638d63b8c7c0ebdc1a903379afb5a44c [0,2,0,0,0,0|1,0,1]=4 653 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,2,0,0,0,0|1,0,0]=3 654 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,2,0,0,0,0|1,0,0]=3 655 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,2,0,0,0,0|0,0,0]=2 656 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,2,0,0,0,0|1,0,0]=3 658 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,2,0,0,0,0|1,0,0]=3 659 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,2,0,0,0,0|1,0,0]=3 660 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,2,0,0,0,0|1,0,0]=3 661 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,2,0,0,0,0|1,0,0]=3 662 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [0,2,0,0,0,0|1,0,1]=4 663 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,2,0,0,0,0|2,0,0]=4 664 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,2,0,0,0,0|2,0,0]=4 665 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,2,0,0,0,0|1,0,0]=3 667 B7R0.6 CC(C)OCC(=S)N 1cbdee4d5c3385daad7ba959afed69ee [0,2,0,0,0,0|1,1,0]=4 668 B7R0.6 CC(C)OCC(F)F 3a22706a89b0937c0849011a08e51b94 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.6 CC(C)OCN(C)C 10d50f079b7aea6fe97d70fc778c501b [0,2,0,0,0,0|1,0,1]=4 670 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [0,2,0,0,0,0|1,0,1]=4 672 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [0,2,0,0,0,0|1,0,1]=4 673 B7R0.6 CC(C)OC[N+](=O)[O-] a09a83c915051312c8a631b9d400a750 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [0,2,0,0,0,0|0,1,1]=4 676 B7R0.8 CCOCC(C)(C)Br c5fd84cd204c784fac27f51432de2345 [0,2,0,0,0,0|1,0,1]=4 677 B7R0.8 CCOCC(C)(C)C cbc6e6dff9d30de641f2a7020db5e172 [0,2,0,0,0,0|1,0,1]=4 678 B7R0.8 CCOCC(C)(C)F 4ceebf68b1b3af46558065e266734baa [0,2,0,0,0,0|1,0,1]=4 679 B7R0.8 CCOCC(C)(C)S a7e0d94172e2fed0c574a998a7210b49 [0,2,0,0,0,0|0,1,1]=4 680 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,1,0,1,0,0|1,0,1]=4 681 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,1,0,1,0,0|0,0,2]=4 682 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,1,0,1,0,0|0,1,1]=4 683 B7R1.22 CN(C=O)C1CC1 928f5a4e3607cba3f0183c684f92be70 [0,1,0,1,0,0|2,0,0]=4 684 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,1,0,1,0,0|1,0,0]=3 685 B7R1.20 CC(C)OC1CC1 2ba1c960117d477fcaacedd25b727831 [0,1,0,1,0,0|1,0,1]=4 686 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,1,0,1,0,0|1,0,0]=3 687 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,1,0,1,0,0|1,0,1]=4 688 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [0,1,0,1,0,0|1,0,1]=4 689 B7R1.7 COCOC1CC1 026a9c25eccde58eb88281f1e9079e4e [0,1,0,1,0,0|1,0,1]=4 690 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [0,1,0,1,0,0|1,0,1]=4 691 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [0,1,0,1,0,0|1,0,1]=4 692 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [0,1,0,1,0,0|1,0,1]=4