0 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,1,0,0,0,0|2,0,0]=3 1 B8R1.11 CC1CCCN1CF fe20c957914c646b3b4006d1b063b75a [0,1,0,0,0,0|3,0,0]=4 2 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,1,0,0,0,0|2,0,1]=4 3 B8R1.11 CC1SCCN1C=O a4140bf0d296ba848f3453d4bea5de05 [0,1,0,0,0,0|1,1,0]=3 4 B8R1.11 CC1SCCN1CF 1a8381f1c2fe5a108b794e80a5ee4e38 [0,1,0,0,0,0|2,1,0]=4 5 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,1,0,0,0,0|1,1,1]=4 6 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [0,1,0,0,0,0|3,0,0]=4 7 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [0,1,0,0,0,0|3,0,0]=4 8 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.11 CCN1CCSC1C 6a56b5c1b50abad68d5899af3448227e [0,1,0,0,0,0|2,1,0]=4 10 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,1,0,0,0,0|2,0,0]=3 11 B8R1.11 C[C@@H]1CCCN1CF e9b99bb24d3baf133d2b2e0829d1f9dd [0,1,0,0,0,0|3,0,0]=4 12 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.11 C[C@H]1CCCN1CF dcda868098b241037a860e32aa3597cd [0,1,0,0,0,0|3,0,0]=4 15 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,1,0,0,0,0|2,0,1]=4 16 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [0,1,0,0,0,0|3,0,0]=4 17 B6R0.1 C#CC(C)NCC 85cc62c068fe8347941753880600425b [0,0,1,0,0,0|2,0,1]=4 18 B6R0.1 C#CC(C)OCC 788c44cbb46959d6943b8cac1e896fa7 [0,0,1,0,0,0|1,0,1]=3 19 B6R0.1 C#CC(C)OCF 49e9b130a26815265491d4c3a424ec61 [0,0,1,0,0,0|2,0,1]=4 20 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [0,0,1,0,0,0|2,0,1]=4 21 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,0,1,0,0,0|1,0,1]=3 22 B6R0.1 C#C[C@@H](C)OCF 84c9a69113565387c92718924a808d76 [0,0,1,0,0,0|2,0,1]=4 23 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,0,1,0,0,0|2,0,1]=4 24 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,0,1,0,0,0|1,0,1]=3 25 B6R0.1 C#C[C@H](C)OCF 8667845c9da8dd8e24b1d3a8f6a93aa8 [0,0,1,0,0,0|2,0,1]=4 26 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,0,1,0,0,0|0,0,2]=3 27 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,0,1,0,0,0|1,0,2]=4 28 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,0,1,0,0,0|2,0,0]=3 29 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,0,1,0,0,0|3,0,0]=4 30 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,0,1,0,0,0|3,0,0]=4 31 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,0,1,0,0,0|1,0,0]=2 32 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,0,1,0,0,0|2,0,0]=3 33 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,0,1,0,0,0|1,0,0]=2 34 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,0,1,0,0,0|2,0,0]=3 35 B6R0.1 CC(C=O)NC#N 4334a96823d7b333d7c55841b70479fe [0,0,1,0,0,0|2,0,1]=4 36 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,0,1,0,0,0|1,0,0]=2 37 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,0,1,0,0,0|2,0,1]=4 38 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,0,1,0,0,0|1,1,1]=4 39 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,0,1,0,0,0|2,0,1]=4 40 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,0,1,0,0,0|2,0,1]=4 41 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,0,1,0,0,0|2,0,1]=4 42 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,0,1,0,0,0|2,0,0]=3 43 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,0,1,0,0,0|3,0,0]=4 44 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,0,1,0,0,0|3,0,0]=4 45 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,0,1,0,0,0|2,0,0]=3 46 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,0,1,0,0,0|2,1,0]=4 47 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,0,1,0,0,0|2,0,1]=4 48 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,0,1,0,0,0|2,0,1]=4 49 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,0,1,0,0,0|1,0,2]=4 50 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,0,1,0,0,0|2,0,1]=4 51 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,0,1,0,0,0|1,0,2]=4 52 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,0,1,0,0,0|2,0,1]=4 53 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,0,1,0,0,0|1,0,2]=4 54 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,0,1,0,0,0|0,0,0]=1 55 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,0,1,0,0,0|1,0,1]=3 56 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,0,1,0,0,0|1,0,1]=3 57 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,0,1,0,0,0|0,1,1]=3 58 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,0,1,0,0,0|1,0,1]=3 59 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,0,1,0,0,0|1,0,1]=3 60 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,0,1,0,0,0|0,1,1]=3 61 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,0,1,0,0,0|2,0,1]=4 62 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,0,1,0,0,0|2,0,1]=4 63 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,0,1,0,0,0|2,0,1]=4 64 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,0,1,0,0,0|2,0,1]=4 65 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,0,1,0,0,0|3,0,0]=4 66 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,0,1,0,0,0|3,0,0]=4 67 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [0,0,1,0,0,0|3,0,0]=4 68 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [0,0,1,0,0,0|3,0,0]=4 69 B6R0.1 C[C@H](C=O)NC#N 561b679827239db41a575e4f622826ae [0,0,1,0,0,0|2,0,1]=4 70 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,0,1,0,0,0|1,1,1]=4 71 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,0,1,0,0,0|2,0,0]=3 72 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [0,0,1,0,0,0|3,0,0]=4 73 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,0,1,0,0,0|2,0,1]=4 74 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,0,1,0,0,0|1,0,1]=3 75 B6R0.6 C#CCCOCF e5402a79d25f6b3b1ad2455faba59ce3 [0,0,1,0,0,0|2,0,1]=4 76 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,0,1,0,0,0|1,0,1]=3 77 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [0,0,1,0,0,0|2,0,1]=4 78 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,0,1,0,0,0|1,0,1]=3 79 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [0,0,1,0,0,0|2,0,1]=4 80 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,0,1,0,0,0|2,0,0]=3 81 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,0,1,0,0,0|3,0,0]=4 82 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,0,1,0,0,0|3,0,0]=4 83 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,0,1,0,0,0|1,0,0]=2 84 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,0,1,0,0,0|2,0,0]=3 85 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,1,0,0,0|3,0,0]=4 86 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,1,0,0,0|3,0,0]=4 87 B6R0.6 CC#CCOCC 150599371f7a5020048fdfb73583470c [0,0,1,0,0,0|1,0,2]=4 88 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,0,1,0,0,0|2,0,1]=4 89 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,0,1,0,0,0|2,0,1]=4 90 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,0,1,0,0,0|1,0,1]=3 91 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [0,0,1,0,0,0|2,0,1]=4 92 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,0,1,0,0,0|2,0,0]=3 93 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,0,1,0,0,0|2,0,1]=4 94 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,0,1,0,0,0|1,0,1]=3 95 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,0,1,0,0,0|2,0,1]=4 96 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,1,0,0,0|2,0,0]=3 97 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,1,0,0,0|2,0,0]=3 98 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,0,1,0,0,0|2,0,1]=4 99 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,0,1,0,0,0|2,0,1]=4 100 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,0,1,0,0,0|1,0,2]=4 101 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,0,1,0,0,0|3,0,0]=4 102 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,0,1,0,0,0|3,0,0]=4 103 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,0,1,0,0,0|3,0,0]=4 104 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [0,0,1,0,0,0|1,0,1]=3 105 B6R0.6 CCOCC#CI c5125846087d34184525bc1c772ba69a [0,0,1,0,0,0|1,0,2]=4 106 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [0,0,1,0,0,0|1,0,1]=3 107 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,0,1,0,0,0|1,0,1]=3 108 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,0,1,0,0,0|0,0,0]=1 109 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,0,1,0,0,0|1,0,1]=3 110 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,0,1,0,0,0|0,1,1]=3 111 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,0,1,0,0,0|2,0,0]=3 112 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,0,1,0,0,0|2,0,0]=3 113 B6R0.6 CCOCNC#N 78dbc831fd4cf862818c3ec7bd4116c9 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,0,1,0,0,0|3,0,0]=4 115 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [0,0,1,0,0,0|3,0,0]=4 116 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,0,1,0,0,0|3,0,0]=4 117 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,0,1,0,0,0|3,0,0]=4 118 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [0,0,1,0,0,0|3,0,0]=4 119 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [0,0,1,0,0,0|2,0,1]=4 120 B6R0.6 FCOC/C=C/Cl b004e8b2046201bd100e010636144deb [0,0,1,0,0,0|2,0,1]=4 121 B6R0.6 FCOCC=CCl 73af65b88ff3f3e74144a7afcc6be997 [0,0,1,0,0,0|2,0,1]=4 122 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [0,0,1,0,0,0|1,1,1]=4 123 B6R0.6 N#CCCOCF ad9f2d4c11e9f2620e210c80fa91c9b0 [0,0,1,0,0,0|2,0,1]=4 124 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [0,0,1,0,0,0|2,0,1]=4 125 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,0,1,0,0,0|1,0,0]=2 126 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,0,1,0,0,0|3,0,0]=4 127 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,0,1,0,0,0|3,0,0]=4 128 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,0,1,0,0,0|3,0,0]=4 129 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,0,1,0,0,0|3,0,0]=4 130 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,0,1,0,0,0|3,0,0]=4 131 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,0,1,0,0,0|3,0,0]=4 132 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,0,1,0,0,0|3,0,0]=4 133 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,0,1,0,0,0|3,0,0]=4 134 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,0,1,0,0,0|3,0,0]=4 135 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,0,1,0,0,0|1,0,1]=4 136 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,1,0,0,0|0,0,1]=3 137 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,1,0,0,0|0,0,2]=4 138 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,1,0,0,0|1,0,0]=3 139 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,1,0,0,0|1,0,1]=4 140 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,1,0,0,0|1,0,1]=4 141 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,1,0,0,0|0,0,1]=3 142 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,1,0,0,0|1,0,1]=4 143 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,1,0,0,0|2,0,0]=4 144 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,1,0,0,0|2,0,0]=4 145 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,1,0,0,0|2,0,0]=4 146 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,1,0,0,0|1,0,0]=3 147 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,1,0,0,0|1,1,0]=4 148 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,1,0,0,0|1,0,1]=4 149 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,1,0,0,0|1,0,0]=3 150 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,1,0,0,0|0,1,0]=3 151 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,1,0,0,0|1,0,1]=4 152 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,0,1,0,0,0|2,0,0]=4 153 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,0,1,0,0,0|1,1,0]=4 154 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,1,0,0,0|2,0,0]=4 155 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,1,0,0,0|2,0,0]=4 156 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,1,0,0,0|2,0,0]=4 157 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,1,0,0,0|2,0,0]=4 158 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,1,0,0,0|2,0,0]=4 159 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,0,1,0,0,0|2,0,0]=4 160 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,0,1,0,0,0|2,0,0]=4 161 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,0,1,0,0,0|1,0,0]=3 162 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,0,1,0,0,0|2,0,0]=4 163 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,0,1,0,0,0|2,0,0]=4 164 B7R0.2 C#CC(C)OC(C)C bd395c473397c0df03907e2995614562 [0,1,1,0,0,0|1,0,1]=4 165 B7R0.2 C#C[C@@H](C)OC(C)C 57b406fc1bff6e055637741c210d864a [0,1,1,0,0,0|1,0,1]=4 166 B7R0.2 C#C[C@H](C)OC(C)C 20fe24039694ac0ddbbae904a1c50c14 [0,1,1,0,0,0|1,0,1]=4 167 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [0,1,1,0,0,0|0,0,2]=4 168 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,1,1,0,0,0|2,0,0]=4 169 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,1,1,0,0,0|1,0,0]=3 170 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,1,1,0,0,0|1,0,0]=3 171 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [0,1,1,0,0,0|2,0,0]=4 172 B7R0.2 CC(C)OC(C)C#N d367aad557142d52591f863ae6f1ec70 [0,1,1,0,0,0|1,0,1]=4 173 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,1,1,0,0,0|0,0,0]=2 174 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,1,1,0,0,0|1,0,1]=4 175 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,1,1,0,0,0|0,1,1]=4 176 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,1,1,0,0,0|0,0,0]=2 177 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,1,1,0,0,0|0,1,1]=4 178 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [0,1,1,0,0,0|2,0,0]=4 179 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,1,1,0,0,0|1,0,1]=4 180 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,1,1,0,0,0|2,0,0]=4 181 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,1,1,0,0,0|2,0,0]=4 182 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,1,1,0,0,0|2,0,0]=4 183 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,1,1,0,0,0|1,0,1]=4 184 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,1,1,0,0,0|1,0,1]=4 185 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [0,1,1,0,0,0|2,0,0]=4 186 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,1,1,0,0,0|0,0,2]=4 187 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [0,1,1,0,0,0|1,0,1]=4 188 B7R0.3 C#CC(C)OCCF 7774b00cacd5f01f93b97c582c22aebc [0,1,1,0,0,0|1,0,1]=4 189 B7R0.3 C#CC(C)OCCS 677d2cf41c5776b9322f569b2e20ad78 [0,1,1,0,0,0|1,0,1]=4 190 B7R0.3 C#CC(C)OCOC f493f96c2be9b9205978c019e3195ea7 [0,1,1,0,0,0|1,0,1]=4 191 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,1,1,0,0,0|1,0,1]=4 192 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,1,1,0,0,0|1,0,1]=4 193 B7R0.3 C#CCNC(C)C=O 8a80a6d3188851c8aa12e1e598927010 [0,1,1,0,0,0|1,0,1]=4 194 B7R0.3 C#CCN[C@H](C)C=O 8faab6e2c8060fcb11bf9cb31dde2a6b [0,1,1,0,0,0|1,0,1]=4 195 B7R0.3 C#CCOC(C)C=C e6ff6e85d796cdae2d545ee222db4a28 [0,1,1,0,0,0|1,0,1]=4 196 B7R0.3 C#CCOC(C)C=O 5e078bffbbf24660e1e42ec455de06b7 [0,1,1,0,0,0|0,0,1]=3 197 B7R0.3 C#CCO[C@@H](C)C=C 48a89e2f373160fd6c17148e75feea17 [0,1,1,0,0,0|1,0,1]=4 198 B7R0.3 C#CCO[C@H](C)C=O 3dffa8d1b413bae459ea6e9776898d1a [0,1,1,0,0,0|0,0,1]=3 199 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [0,1,1,0,0,0|1,0,1]=4 200 B7R0.3 C#C[C@@H](C)OCCF 3310abc989f1679a61ca80b2a539306c [0,1,1,0,0,0|1,0,1]=4 201 B7R0.3 C#C[C@@H](C)OCCS 4e04a11dc65e84e3c6145d59508cdb0d [0,1,1,0,0,0|1,0,1]=4 202 B7R0.3 C#C[C@@H](C)OCOC b5f2510f611fba5c0b90597284089504 [0,1,1,0,0,0|1,0,1]=4 203 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,1,1,0,0,0|1,0,1]=4 204 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [0,1,1,0,0,0|1,0,1]=4 205 B7R0.3 C#C[C@H](C)OCCF 16f3c962063cbc9a1612a19a77fc207b [0,1,1,0,0,0|1,0,1]=4 206 B7R0.3 C#C[C@H](C)OCCS 42ab997997a9001ee9da9446c6900cb0 [0,1,1,0,0,0|1,0,1]=4 207 B7R0.3 C#C[C@H](C)OCOC 7a874ba6eb8c315241b513f50f519c90 [0,1,1,0,0,0|1,0,1]=4 208 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,1,1,0,0,0|1,0,1]=4 209 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,1,0,0,0|0,0,2]=4 210 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,1,1,0,0,0|0,0,2]=4 211 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,1,1,0,0,0|0,0,2]=4 212 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,1,1,0,0,0|0,0,2]=4 213 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,1,1,0,0,0|0,0,2]=4 214 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,1,0,0,0|0,0,2]=4 215 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,1,1,0,0,0|1,0,0]=3 216 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,1,1,0,0,0|2,0,0]=4 217 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,1,1,0,0,0|2,0,0]=4 218 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,1,1,0,0,0|2,0,0]=4 219 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,1,1,0,0,0|2,0,0]=4 220 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,1,1,0,0,0|2,0,0]=4 221 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,1,1,0,0,0|2,0,0]=4 222 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,1,1,0,0,0|2,0,0]=4 223 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,1,1,0,0,0|2,0,0]=4 224 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,1,1,0,0,0|2,0,0]=4 225 B7R0.3 C=CC(C)OCC#N 87e0eff24f93b5f1a0aea138d5825835 [0,1,1,0,0,0|1,0,1]=4 226 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,1,1,0,0,0|1,0,1]=4 227 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,1,1,0,0,0|1,0,0]=3 228 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,1,1,0,0,0|1,0,0]=3 229 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,1,1,0,0,0|1,0,0]=3 230 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,1,1,0,0,0|1,0,0]=3 231 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,1,1,0,0,0|1,0,0]=3 232 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,1,1,0,0,0|1,0,1]=4 233 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [0,1,1,0,0,0|0,0,1]=3 234 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,1,1,0,0,0|1,0,1]=4 235 B7R0.3 C=C[C@H](C)OCC#N 87ed494e61b6a628355bc93049d8b261 [0,1,1,0,0,0|1,0,1]=4 236 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,1,1,0,0,0|1,0,1]=4 237 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,1,1,0,0,0|1,0,0]=3 238 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,1,1,0,0,0|1,0,0]=3 239 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,1,1,0,0,0|1,0,0]=3 240 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,1,1,0,0,0|1,0,0]=3 241 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,1,1,0,0,0|1,0,0]=3 242 B7R0.3 CC(C#N)OCCS 54ef71d430fa96d7cb92c30410fb9da9 [0,1,1,0,0,0|1,0,1]=4 243 B7R0.3 CC(C=O)NCC#N 127301cbe7cdf76d3d0981fbc706d46e [0,1,1,0,0,0|1,0,1]=4 244 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,1,1,0,0,0|1,0,0]=3 245 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,1,1,0,0,0|1,0,0]=3 246 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,1,1,0,0,0|1,0,0]=3 247 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,1,1,0,0,0|1,0,0]=3 248 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,1,1,0,0,0|1,0,0]=3 249 B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [0,1,1,0,0,0|0,0,1]=3 250 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,1,1,0,0,0|0,0,1]=3 251 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,1,1,0,0,0|0,0,0]=2 252 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,1,1,0,0,0|0,0,0]=2 253 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [0,1,1,0,0,0|1,0,1]=4 254 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [0,1,1,0,0,0|1,0,1]=4 255 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [0,1,1,0,0,0|0,1,1]=4 256 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [0,1,1,0,0,0|0,1,1]=4 257 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [0,1,1,0,0,0|1,0,1]=4 258 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,1,1,0,0,0|1,0,0]=3 259 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,1,1,0,0,0|1,0,1]=4 260 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,1,0,0,0|1,0,0]=3 261 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,1,0,0,0|1,0,0]=3 262 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,1,0,0,0|1,0,0]=3 263 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,1,0,0,0|0,0,0]=2 264 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,1,0,0,0|0,1,0]=3 265 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,1,1,0,0,0|1,0,1]=4 266 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,1,1,0,0,0|1,0,1]=4 267 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,1,1,0,0,0|1,0,1]=4 268 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,1,1,0,0,0|1,0,1]=4 269 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,1,1,0,0,0|1,0,1]=4 270 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,1,1,0,0,0|1,0,1]=4 271 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,1,1,0,0,0|0,0,2]=4 272 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,1,1,0,0,0|2,0,0]=4 273 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,1,0,0,0|1,0,0]=3 274 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,1,0,0,0|2,0,0]=4 275 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,1,0,0,0|2,0,0]=4 276 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,1,0,0,0|2,0,0]=4 277 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,1,1,0,0,0|1,0,0]=3 278 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,1,1,0,0,0|1,0,0]=3 279 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [0,1,1,0,0,0|1,0,1]=4 280 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,1,1,0,0,0|0,0,0]=2 281 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,1,0,0,0|1,0,1]=4 282 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,1,1,0,0,0|1,0,1]=4 283 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,1,1,0,0,0|0,1,1]=4 284 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,1,0,0,0|1,0,1]=4 285 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,1,1,0,0,0|0,0,0]=2 286 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,1,0,0,0|1,0,1]=4 287 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,1,1,0,0,0|0,1,1]=4 288 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.3 CCN(C)CCON dca6e8ee84d04b2409e73b61f0963e17 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,1,1,0,0,0|2,0,0]=4 292 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,1,1,0,0,0|2,0,0]=4 293 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,1,1,0,0,0|1,0,1]=4 294 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,1,1,0,0,0|1,0,1]=4 295 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,1,0,0,0|1,0,0]=3 296 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,1,1,0,0,0|2,0,0]=4 298 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [0,1,1,0,0,0|1,0,1]=4 299 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,1,1,0,0,0|1,0,1]=4 300 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,1,1,0,0,0|2,0,0]=4 301 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,1,1,0,0,0|1,0,1]=4 302 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,1,1,0,0,0|2,0,0]=4 303 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,1,1,0,0,0|1,0,1]=4 304 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,1,1,0,0,0|2,0,0]=4 305 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,1,1,0,0,0|1,0,1]=4 306 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,1,1,0,0,0|1,0,1]=4 307 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,1,1,0,0,0|1,0,1]=4 308 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,1,1,0,0,0|1,0,1]=4 309 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,1,1,0,0,0|1,0,1]=4 310 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,1,1,0,0,0|0,0,2]=4 311 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,1,1,0,0,0|1,0,1]=4 312 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,1,1,0,0,0|1,0,1]=4 313 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,1,1,0,0,0|1,0,1]=4 314 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,1,1,0,0,0|1,0,1]=4 315 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,1,1,0,0,0|1,0,1]=4 316 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,1,1,0,0,0|1,0,1]=4 317 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,1,1,0,0,0|2,0,0]=4 318 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,1,1,0,0,0|2,0,0]=4 319 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,1,1,0,0,0|1,0,0]=3 320 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,1,1,0,0,0|2,0,0]=4 322 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,1,1,0,0,0|1,0,0]=3 323 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,1,1,0,0,0|2,0,0]=4 324 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,1,1,0,0,0|2,0,0]=4 325 B7R0.3 COCOC(C)C#N 85e904d8cb0c25f94e972581402e1470 [0,1,1,0,0,0|1,0,1]=4 326 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,1,1,0,0,0|0,0,0]=2 327 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [0,1,1,0,0,0|1,0,1]=4 328 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,1,1,0,0,0|0,0,0]=2 329 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,1,1,0,0,0|2,0,0]=4 330 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,1,1,0,0,0|0,0,0]=2 331 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,1,1,0,0,0|1,0,1]=4 332 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,1,1,0,0,0|0,1,1]=4 333 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,1,1,0,0,0|0,1,1]=4 334 B7R0.3 C[C@H](C=O)NCC#N 9b1d30d7284bc89f6f0ba6960b607cac [0,1,1,0,0,0|1,0,1]=4 335 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,1,1,0,0,0|1,0,0]=3 336 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,1,1,0,0,0|1,0,0]=3 337 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,1,1,0,0,0|1,0,0]=3 338 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,1,1,0,0,0|1,0,0]=3 339 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,1,1,0,0,0|1,0,0]=3 340 B7R0.3 C[C@H](C=O)OCC#N a51c72275e2be0c3e4b80eaa109e7244 [0,1,1,0,0,0|0,0,1]=3 341 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,1,1,0,0,0|0,0,0]=2 342 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,1,1,0,0,0|0,0,0]=2 343 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [0,1,1,0,0,0|0,1,1]=4 344 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [0,1,1,0,0,0|0,1,1]=4 345 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,1,1,0,0,0|2,0,0]=4 346 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,1,1,0,0,0|2,0,0]=4 347 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,1,1,0,0,0|2,0,0]=4 348 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,1,1,0,0,0|1,0,0]=3 349 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,1,1,0,0,0|1,1,0]=4 350 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [0,1,1,0,0,0|2,0,0]=4 351 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,1,1,0,0,0|2,0,0]=4 352 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,1,1,0,0,0|2,0,0]=4 353 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,1,1,0,0,0|2,0,0]=4 354 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,1,1,0,0,0|1,0,0]=3 355 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,1,1,0,0,0|1,1,0]=4 356 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,1,1,0,0,0|2,0,0]=4 357 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,1,1,0,0,0|2,0,0]=4 358 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,1,1,0,0,0|1,0,0]=3 360 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,1,1,0,0,0|1,1,0]=4 361 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,1,1,0,0,0|1,0,1]=4 362 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,1,1,0,0,0|1,0,0]=3 363 B7R0.5 CC(C)N(C)CCO 81a28f5ee4f12e11b2d2f617ef1d3581 [0,1,1,0,0,0|2,0,0]=4 364 B7R0.5 CC(NCF)C(=O)N f0a5cc6cd244223372790316f7e61f94 [0,1,1,0,0,0|2,0,0]=4 365 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [0,1,1,0,0,0|2,0,0]=4 366 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [0,1,1,0,0,0|2,0,0]=4 367 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,1,1,0,0,0|2,0,0]=4 368 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,1,1,0,0,0|1,0,0]=3 369 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,1,1,0,0,0|1,0,0]=3 370 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,1,1,0,0,0|2,0,0]=4 371 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,1,1,0,0,0|1,0,0]=3 372 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,1,1,0,0,0|1,0,0]=3 373 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,1,1,0,0,0|2,0,0]=4 374 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,1,1,0,0,0|1,0,0]=3 375 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,1,1,0,0,0|1,0,0]=3 376 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,1,1,0,0,0|1,0,0]=3 377 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,1,1,0,0,0|1,0,0]=3 378 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,1,1,0,0,0|0,0,0]=2 379 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,1,1,0,0,0|0,0,0]=2 380 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,1,1,0,0,0|0,0,0]=2 381 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,1,1,0,0,0|1,0,1]=4 382 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,1,1,0,0,0|0,1,1]=4 383 B7R0.5 CCOC(C)C(F)F 6f25fcdcd396a613a3486f9e7e152366 [0,1,1,0,0,0|1,0,1]=4 384 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,1,1,0,0,0|0,0,0]=2 385 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,1,1,0,0,0|0,0,0]=2 386 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,1,1,0,0,0|1,0,1]=4 387 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,1,1,0,0,0|0,0,0]=2 388 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,1,1,0,0,0|0,0,0]=2 389 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,1,1,0,0,0|1,0,1]=4 390 B7R0.5 C[C@@H](NCF)C(=O)N fc8e15aaec185b1ab510ce9a3e07d389 [0,1,1,0,0,0|2,0,0]=4 391 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.5 C[C@@H](NCO)C(=O)N 40aeb7a188f95caf183e4558e0c9a7d0 [0,1,1,0,0,0|2,0,0]=4 393 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,1,1,0,0,0|2,0,0]=4 394 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,1,1,0,0,0|1,0,0]=3 395 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,1,1,0,0,0|1,0,0]=3 396 B7R0.5 C[C@H](NCF)C(=O)N ec9ad2764694c43582e2759286389cce [0,1,1,0,0,0|2,0,0]=4 397 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [0,1,1,0,0,0|2,0,0]=4 398 B7R0.5 C[C@H](NCO)C(=O)N e220146cab979067711359ee78003370 [0,1,1,0,0,0|2,0,0]=4 399 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,1,1,0,0,0|2,0,0]=4 400 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,1,1,0,0,0|1,0,0]=3 401 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,1,1,0,0,0|1,0,0]=3 402 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,1,1,0,0,0|1,0,1]=4 403 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,1,1,0,0,0|1,0,0]=3 404 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [0,1,1,0,0,0|2,0,0]=4 405 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,1,1,0,0,0|1,0,0]=3 406 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,1,1,0,0,0|2,0,0]=4 407 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,1,1,0,0,0|1,0,0]=3 408 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,1,1,0,0,0|1,0,0]=3 410 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,1,1,0,0,0|2,0,0]=4 411 B7R0.7 CC#CC(C)OCC 7d169bd73109df0adecd56f315bb5686 [0,1,1,0,0,0|1,0,1]=4 412 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,1,1,0,0,0|2,0,0]=4 413 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,1,1,0,0,0|1,0,0]=3 414 B7R0.7 CC=CC(C)OCF 320a75cf236278cddb0a50a5acdd75bf [0,1,1,0,0,0|2,0,0]=4 415 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,1,1,0,0,0|1,1,0]=4 416 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,1,1,0,0,0|1,0,0]=3 417 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,1,1,0,0,0|1,0,1]=4 418 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,1,1,0,0,0|2,0,0]=4 419 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,1,1,0,0,0|2,0,0]=4 420 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,1,1,0,0,0|1,0,1]=4 421 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,1,1,0,0,0|1,0,0]=3 422 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,1,1,0,0,0|1,0,1]=4 423 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,1,1,0,0,0|1,0,1]=4 424 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,1,1,0,0,0|1,0,1]=4 425 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,1,1,0,0,0|1,0,1]=4 426 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [0,1,1,0,0,0|1,0,1]=4 427 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,1,1,0,0,0|0,0,2]=4 428 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,1,1,0,0,0|0,1,1]=4 429 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [0,1,1,0,0,0|1,0,1]=4 430 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,1,1,0,0,0|0,0,2]=4 431 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [0,1,1,0,0,0|1,0,1]=4 432 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,1,1,0,0,0|0,0,2]=4 433 B7R0.7 CN(CCO)CCF 423bb7df0641cc2b0b9f40d044f22314 [0,1,1,0,0,0|2,0,0]=4 434 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [0,1,1,0,0,0|2,0,0]=4 435 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,1,1,0,0,0|2,0,0]=4 436 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,1,1,0,0,0|2,0,0]=4 437 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,1,1,0,0,0|2,0,0]=4 438 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,1,1,0,0,0|2,0,0]=4 440 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,1,1,0,0,0|2,0,0]=4 441 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,1,1,0,0,0|2,0,0]=4 442 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,1,1,0,0,0|2,0,0]=4 443 B7R0.7 N#CNC(=O)CCO 21159348c5eb316e27f10d66411c699d [0,1,1,0,0,0|1,0,1]=4 444 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [0,1,1,0,0,0|2,0,0]=4 445 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,1,1,0,0,0|2,0,0]=4 446 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,1,1,0,0,0|2,0,0]=4 447 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,1,1,0,0,0|1,0,0]=3 448 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [0,1,1,0,0,0|2,0,0]=4 449 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [0,1,1,0,0,0|2,0,0]=4 450 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,1,1,0,0,0|1,0,0]=3 451 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [0,1,1,0,0,0|2,0,0]=4 452 B7R0.12 C#CC(C=C)OCC 709b537a4e9a5b4501f9d5eca1f1cb34 [0,1,1,0,0,0|1,0,1]=4 453 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [0,1,1,0,0,0|1,0,1]=4 454 B7R0.12 C=CC(C=C)OCC 7de0118a4df6b31edc8ac929ff93e6e2 [0,1,1,0,0,0|1,0,1]=4 455 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,1,1,0,0,0|1,0,0]=3 456 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [0,1,1,0,0,0|2,0,0]=4 457 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [0,1,1,0,0,0|2,0,0]=4 458 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,1,1,0,0,0|2,0,0]=4 459 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [0,1,1,0,0,0|2,0,0]=4 460 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [0,1,1,0,0,0|1,0,0]=3 461 B7R0.12 CCN(CC)CCO 3ebc0ce6d105088470f67e45ca611640 [0,1,1,0,0,0|2,0,0]=4 462 B7R0.12 CCN(CF)CCO 94620f9ce7407b818d47be3cba0eb6a5 [0,1,1,0,0,0|2,0,0]=4 463 B7R0.12 CCN(CO)CCO 7d4857243f6d87024376644d456f8437 [0,1,1,0,0,0|1,0,1]=4 464 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [0,1,1,0,0,0|1,0,1]=4 465 B7R0.12 CCOC(CBr)CBr d03e7afda2ca8d59d0335adb3716d943 [0,1,1,0,0,0|1,0,1]=4 466 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,1,1,0,0,0|1,0,1]=4 467 B7R0.12 CCOC(CCl)CBr 76ba5a657a7ea572d523f589d344dc39 [0,1,1,0,0,0|1,0,1]=4 468 B7R0.12 CCOC(CCl)CCl ce294a182f4713785d493074caf459e2 [0,1,1,0,0,0|1,0,1]=4 469 B7R0.12 CCOC(CF)CF ce94a3a5b0a102e0773db6b18934a605 [0,1,1,0,0,0|1,0,1]=4 470 B7R0.12 CCO[C@@H](CCl)CI 960e9d223c1c4a6537b1692e0aa03922 [0,1,1,0,0,0|1,0,1]=4 471 B7R0.12 CCO[C@H](CCl)CI eaef576ad3d7bec19924ce3c27aa4ce5 [0,1,1,0,0,0|1,0,1]=4 472 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,1,1,0,0,0|2,0,0]=4 473 B7R0.15 CCN(C=O)C(C)C 86649df767a092150d1d82b73f12f48f [0,1,1,0,0,0|2,0,0]=4 474 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,1,1,0,0,0|2,0,0]=4 475 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,1,1,0,0,0|1,0,1]=4 476 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,1,1,0,0,0|1,0,1]=4 477 B7R0.1 C#CCCOCCF cad37c818c142f7d736f92359c1451d0 [0,1,1,0,0,0|1,0,1]=4 478 B7R0.1 C#CCCOCCS f5dfe7ea8cd7100b3a222a3ec7f9a19c [0,1,1,0,0,0|1,0,1]=4 479 B7R0.1 C#CCCOCOC 36c066d41d26482ed5ee75d0afe8617c [0,1,1,0,0,0|1,0,1]=4 480 B7R0.1 C#CCCOCSC 7be39892afd4ef79dc2d978280d82788 [0,1,1,0,0,0|1,0,1]=4 481 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [0,1,1,0,0,0|1,0,1]=4 482 B7R0.1 C#CCNCOCC 791a5055b6dadf02042aec9a3a94990f [0,1,1,0,0,0|1,0,1]=4 483 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [0,1,1,0,0,0|1,0,1]=4 484 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [0,1,1,0,0,0|0,0,1]=3 485 B7R0.1 C#CCOCOCC da2cc8333c6c199f28500fd01c717240 [0,1,1,0,0,0|1,0,1]=4 486 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,1,1,0,0,0|1,0,0]=3 487 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [0,1,1,0,0,0|2,0,0]=4 488 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,1,1,0,0,0|1,0,1]=4 489 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,1,1,0,0,0|1,0,1]=4 490 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [0,1,1,0,0,0|1,0,1]=4 491 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [0,1,1,0,0,0|1,0,1]=4 492 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [0,1,1,0,0,0|1,0,1]=4 493 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,1,1,0,0,0|1,0,1]=4 494 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,1,1,0,0,0|1,0,1]=4 495 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,1,1,0,0,0|1,0,1]=4 496 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [0,1,1,0,0,0|1,0,1]=4 497 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [0,1,1,0,0,0|1,0,1]=4 498 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [0,1,1,0,0,0|1,0,1]=4 499 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,1,1,0,0,0|1,0,1]=4 500 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [0,1,1,0,0,0|1,0,0]=3 501 B7R0.1 C=C=CCCOCF 73ed8bb3c12c52107642e3d2d32be010 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,1,1,0,0,0|2,0,0]=4 503 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,1,1,0,0,0|1,0,0]=3 504 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,1,1,0,0,0|2,0,0]=4 505 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,1,1,0,0,0|2,0,0]=4 506 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,1,1,0,0,0|2,0,0]=4 507 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,1,1,0,0,0|2,0,0]=4 508 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,1,1,0,0,0|2,0,0]=4 509 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,1,1,0,0,0|2,0,0]=4 510 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,1,1,0,0,0|2,0,0]=4 511 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,1,1,0,0,0|2,0,0]=4 512 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,1,1,0,0,0|2,0,0]=4 513 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [0,1,1,0,0,0|1,0,1]=4 514 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,1,1,0,0,0|1,0,1]=4 515 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,1,1,0,0,0|1,0,1]=4 516 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,1,1,0,0,0|1,0,0]=3 517 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,1,1,0,0,0|1,0,0]=3 518 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,1,1,0,0,0|1,0,0]=3 519 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,1,1,0,0,0|1,0,0]=3 520 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,1,1,0,0,0|1,0,0]=3 521 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,1,1,0,0,0|2,0,0]=4 522 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,1,1,0,0,0|0,0,1]=3 523 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,1,1,0,0,0|2,0,0]=4 524 B7R0.1 C=COCCNC=O 7ffcb3447840a0b895742093e8d4046d [0,1,1,0,0,0|0,0,2]=4 525 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,1,1,0,0,0|2,0,0]=4 526 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,1,1,0,0,0|1,0,0]=3 527 B7R0.1 C=COCCOCF b7f6077cb09eeaf4f3fbc2b47e09278f [0,1,1,0,0,0|2,0,0]=4 528 B7R0.1 CC#CCCOCC 57277b2d6042ec0ef25dc33b854150f3 [0,1,1,0,0,0|1,0,1]=4 529 B7R0.1 CC#CCNCC=O 3b9af0779acfe3ab0ba04aa531b5bc50 [0,1,1,0,0,0|1,0,1]=4 530 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [0,1,1,0,0,0|1,0,1]=4 531 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [0,1,1,0,0,0|1,0,1]=4 532 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [0,1,1,0,0,0|1,0,1]=4 533 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [0,1,1,0,0,0|1,0,1]=4 534 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,1,1,0,0,0|1,0,1]=4 535 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,1,1,0,0,0|1,0,1]=4 536 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [0,1,1,0,0,0|1,0,1]=4 537 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [0,1,1,0,0,0|1,0,1]=4 538 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [0,1,1,0,0,0|1,0,1]=4 539 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,1,1,0,0,0|1,0,1]=4 540 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,1,1,0,0,0|1,0,0]=3 541 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,1,1,0,0,0|1,0,1]=4 542 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,1,1,0,0,0|1,0,0]=3 543 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,1,1,0,0,0|1,0,0]=3 544 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,1,1,0,0,0|1,0,1]=4 545 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,1,1,0,0,0|1,0,1]=4 546 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,1,1,0,0,0|1,0,1]=4 547 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,1,1,0,0,0|1,0,1]=4 548 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,1,1,0,0,0|1,0,1]=4 549 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,1,1,0,0,0|1,0,0]=3 550 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,1,1,0,0,0|1,0,1]=4 551 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,1,1,0,0,0|1,0,1]=4 552 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,1,1,0,0,0|1,0,1]=4 553 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,1,1,0,0,0|1,0,1]=4 554 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,1,1,0,0,0|1,0,1]=4 555 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,1,1,0,0,0|0,0,0]=2 556 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,1,1,0,0,0|1,0,1]=4 557 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,1,1,0,0,0|0,1,1]=4 558 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,1,1,0,0,0|2,0,0]=4 559 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,1,1,0,0,0|2,0,0]=4 560 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,1,1,0,0,0|1,0,1]=4 561 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,1,1,0,0,0|1,0,1]=4 562 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,1,1,0,0,0|0,0,1]=3 563 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,1,1,0,0,0|1,0,1]=4 564 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,1,1,0,0,0|0,0,0]=2 565 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,1,1,0,0,0|1,0,1]=4 566 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,1,1,0,0,0|0,1,1]=4 567 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,1,1,0,0,0|0,0,2]=4 568 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,1,1,0,0,0|0,1,1]=4 569 B7R0.1 CCOCCNC#N b1f1ec03337395c259b4adad9fada2ca [0,1,1,0,0,0|1,0,1]=4 570 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,1,1,0,0,0|0,0,0]=2 571 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,1,1,0,0,0|1,0,1]=4 572 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,1,1,0,0,0|0,0,2]=4 573 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,1,1,0,0,0|0,0,0]=2 574 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,1,1,0,0,0|1,0,1]=4 575 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,1,1,0,0,0|1,0,1]=4 576 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,1,1,0,0,0|1,0,1]=4 577 B7R0.1 CCOCNCC#N 9018c9c6715e14ea9bdce32253585916 [0,1,1,0,0,0|1,0,1]=4 578 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,1,1,0,0,0|1,0,1]=4 579 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,1,1,0,0,0|1,0,1]=4 580 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,1,1,0,0,0|1,0,1]=4 581 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,1,1,0,0,0|0,0,2]=4 582 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,1,1,0,0,0|0,1,1]=4 583 B7R0.1 CCOCOCC#N 4fd83c3b911d632bd32bce6b5617b133 [0,1,1,0,0,0|1,0,1]=4 584 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,1,1,0,0,0|0,1,1]=4 585 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [0,1,1,0,0,0|2,0,0]=4 586 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,1,1,0,0,0|0,1,0]=3 587 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,1,1,0,0,0|2,0,0]=4 588 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,1,1,0,0,0|2,0,0]=4 589 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,1,1,0,0,0|2,0,0]=4 590 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,1,1,0,0,0|2,0,0]=4 591 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,1,1,0,0,0|2,0,0]=4 592 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,1,1,0,0,0|2,0,0]=4 593 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,1,1,0,0,0|2,0,0]=4 594 B7R0.1 COCOC/C=C/Cl 994ae41b4f65c0a98c067e16a7bbebbc [0,1,1,0,0,0|1,0,1]=4 595 B7R0.1 COCOC/C=C\Cl a8345f466233c47094d9b334a81e738d [0,1,1,0,0,0|1,0,1]=4 596 B7R0.1 COCOCC=CCl 9a66c372107792a1368a8939a87e14d7 [0,1,1,0,0,0|1,0,1]=4 597 B7R0.1 COCOCCC#N 27e16b974b5a8cc8e6db8589fb85ef21 [0,1,1,0,0,0|1,0,1]=4 598 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,1,1,0,0,0|0,0,0]=2 599 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,1,1,0,0,0|1,0,1]=4 600 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,1,1,0,0,0|0,1,1]=4 601 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [0,1,1,0,0,0|2,0,0]=4 602 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,1,1,0,0,0|2,0,0]=4 603 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,1,1,0,0,0|2,0,0]=4 604 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,1,1,0,0,0|2,0,0]=4 605 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,1,1,0,0,0|2,0,0]=4 606 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,1,1,0,0,0|2,0,0]=4 607 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [0,1,1,0,0,0|2,0,0]=4 608 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [0,1,1,0,0,0|1,0,1]=4 609 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [0,1,1,0,0,0|1,0,1]=4 610 B7R0.1 CSCOCCC#N 49194787fe7da60bddbd554c64dc7b5a [0,1,1,0,0,0|1,0,1]=4 611 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,1,1,0,0,0|0,0,0]=2 612 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,1,1,0,0,0|1,0,1]=4 613 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,1,1,0,0,0|0,1,1]=4 614 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,1,1,0,0,0|1,0,1]=4 615 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,1,1,0,0,0|1,0,1]=4 616 B7R0.1 FCCOC/C=C/Cl dc97194a3b37f111390ae9c49092a7c4 [0,1,1,0,0,0|1,0,1]=4 617 B7R0.1 FCCOC/C=C\Cl 4bede6a33603c0090a93c5765bbe74a4 [0,1,1,0,0,0|1,0,1]=4 618 B7R0.1 FCCOCC=CCl 92ca73e0aad22b80104a1e8aba43942a [0,1,1,0,0,0|1,0,1]=4 619 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,1,1,0,0,0|0,1,1]=4 620 B7R0.1 N#CCCOCCF c2245ac04b4ed21d4611d8407215019c [0,1,1,0,0,0|1,0,1]=4 621 B7R0.1 N#CCCOCCS 5da7e76cd18cac10a7d2e2086ebead76 [0,1,1,0,0,0|1,0,1]=4 622 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [0,1,1,0,0,0|1,0,1]=4 623 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [0,1,1,0,0,0|0,0,1]=3 624 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [0,1,1,0,0,0|1,0,1]=4 625 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,1,1,0,0,0|1,0,0]=3 626 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,1,1,0,0,0|1,0,0]=3 627 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,1,1,0,0,0|1,0,0]=3 628 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,1,1,0,0,0|1,0,0]=3 629 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,1,1,0,0,0|1,0,0]=3 630 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,1,1,0,0,0|1,0,0]=3 631 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,1,1,0,0,0|0,0,1]=3 632 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,1,1,0,0,0|0,0,0]=2 633 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,1,1,0,0,0|0,0,0]=2 634 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,1,1,0,0,0|2,0,0]=4 635 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,1,1,0,0,0|2,0,0]=4 636 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,1,1,0,0,0|2,0,0]=4 637 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,1,1,0,0,0|2,0,0]=4 638 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,1,1,0,0,0|2,0,0]=4 639 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,1,1,0,0,0|2,0,0]=4 640 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,1,1,0,0,0|2,0,0]=4 641 B7R0.1 O=CNCCOCF 8eb92d4268cefac9fa43b7283baf8468 [0,1,1,0,0,0|1,0,0]=3 642 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [0,1,1,0,0,0|1,0,0]=3 643 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,1,1,0,0,0|0,1,1]=4 644 B7R0.1 SCCOC/C=C/Cl 2290f8b86457030238798819e28c69e8 [0,1,1,0,0,0|1,0,1]=4 645 B7R0.1 SCCOC/C=C\Cl a4e7cdee69690eb63831ad52adb243f6 [0,1,1,0,0,0|1,0,1]=4 646 B7R0.1 SCCOCC=CCl 7bef249009c91ae7b2a1a8047a4ea984 [0,1,1,0,0,0|1,0,1]=4 647 B7R0.4 C#CCCOC(C)C 742a793a3d568179dfa9ddcdeebb6426 [0,1,1,0,0,0|1,0,1]=4 648 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [0,1,1,0,0,0|1,0,1]=4 649 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [0,1,1,0,0,0|1,0,1]=4 650 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,1,1,0,0,0|1,0,0]=3 651 B7R0.4 C=C(Br)CCOCF ea4ba58a0dda0d4ff610398e2a49e354 [0,1,1,0,0,0|2,0,0]=4 652 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,1,0,0,0|2,0,0]=4 653 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,1,0,0,0|1,0,0]=3 654 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,1,1,0,0,0|2,0,0]=4 655 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [0,1,1,0,0,0|2,0,0]=4 656 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,1,1,0,0,0|1,0,0]=3 657 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,1,1,0,0,0|1,0,0]=3 658 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,1,1,0,0,0|2,0,0]=4 659 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [0,1,1,0,0,0|2,0,0]=4 660 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [0,1,1,0,0,0|2,0,0]=4 661 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [0,1,1,0,0,0|2,0,0]=4 662 B7R0.4 CC(C)OC/C=C/Cl 91491ffbe45b122c593493ce1ec28e21 [0,1,1,0,0,0|1,0,1]=4 663 B7R0.4 CC(C)OC/C=C\Cl 1e6b64e528b3b312db8e7f5d9f5e401f [0,1,1,0,0,0|1,0,1]=4 664 B7R0.4 CC(C)OCC=CCl 05c2ee32f696ac6fe468daf78fa733c3 [0,1,1,0,0,0|1,0,1]=4 665 B7R0.4 CC(C)OCCC#N fd21c0fde146e79c4d1d9956f568a2be [0,1,1,0,0,0|1,0,1]=4 666 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,1,1,0,0,0|0,0,0]=2 667 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [0,1,1,0,0,0|1,0,1]=4 668 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [0,1,1,0,0,0|0,1,1]=4 669 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [0,1,1,0,0,0|2,0,0]=4 670 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [0,1,1,0,0,0|2,0,0]=4 671 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [0,1,1,0,0,0|2,0,0]=4 672 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [0,1,1,0,0,0|2,0,0]=4 673 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [0,1,1,0,0,0|1,0,1]=4 674 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,1,0,0,0|2,0,0]=4 675 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,1,1,0,0,0|1,0,1]=4 676 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,1,0,0,0|2,0,0]=4 677 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,1,0,0,0|2,0,0]=4 678 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,1,0,0,0|2,0,0]=4 679 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,1,0,0,0|2,0,0]=4 680 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,1,1,0,0,0|2,0,0]=4 681 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,1,0,0,0|2,0,0]=4 682 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,1,1,0,0,0|1,0,0]=3 683 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,1,0,0,0|1,0,0]=3 684 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,1,1,0,0,0|1,1,0]=4 685 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,1,1,0,0,0|2,0,0]=4 686 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,1,1,0,0,0|2,0,0]=4 687 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,1,1,0,0,0|1,0,1]=4 688 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,1,1,0,0,0|1,0,1]=4 689 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,1,1,0,0,0|1,0,1]=4 690 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,1,1,0,0,0|1,0,1]=4 691 B7R0.4 CCOCC=C(Cl)Cl aa420eee9e85e57fd046661e3d34ce27 [0,1,1,0,0,0|1,0,1]=4 692 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,1,0,0,0|0,0,0]=2 693 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,1,1,0,0,0|0,0,0]=2 694 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,1,0,0,0|0,0,0]=2 695 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,1,1,0,0,0|1,0,1]=4 696 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [0,1,1,0,0,0|1,0,1]=4 697 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,1,1,0,0,0|2,0,0]=4 698 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,1,1,0,0,0|1,0,0]=3 699 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,1,1,0,0,0|1,0,0]=3 700 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,1,1,0,0,0|1,0,0]=3 701 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,1,1,0,0,0|1,0,0]=3 702 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,1,1,0,0,0|2,0,0]=4 703 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,1,1,0,0,0|2,0,0]=4 704 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,1,1,0,0,0|2,0,0]=4 705 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [0,1,1,0,0,0|2,0,0]=4 706 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [0,1,1,0,0,0|2,0,0]=4 707 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [0,1,1,0,0,0|2,0,0]=4 708 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [0,1,1,0,0,0|2,0,0]=4 709 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [0,1,1,0,0,0|2,0,0]=4 710 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [0,1,1,0,0,0|2,0,0]=4 711 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,1,1,0,0,0|2,0,0]=4 712 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,1,1,0,0,0|2,0,0]=4 713 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,1,1,0,0,0|1,0,0]=3 714 B7R0.4 NC(=O)NCOCF 223fa95252602925b8cb08f5b19a776e [0,1,1,0,0,0|2,0,0]=4 715 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,1,1,0,0,0|2,0,0]=4 716 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,1,0,0,0|2,0,0]=4 717 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,1,1,0,0,0|1,0,0]=3 718 B7R0.4 O=[N+]([O-])CCOCF 048ee64abce7b74ac8debb2e802099ad [0,1,1,0,0,0|2,0,0]=4 719 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [1,1,0,0,0,0|1,1,0]=4 720 B9R1.2 CC1CCCN(C1)C=O 5a06aa6b42e18f18aee9823269dae409 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.2 CC1CN(CCO1)C=O 419911434d41e805d16780cbe76cce9d [0,1,0,0,0,1|1,0,0]=3 722 B9R1.2 CC1CN(CCO1)CF 5604e0e287f758cadf8b3a47139435e2 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.2 CC1CN(CCO1)CO 778a26868977a5891e9594a8c31c0b2b [0,1,0,0,0,1|1,0,1]=4 724 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.2 CCN1CCOC(C1)C 728c54cb68ad3e7e596277403e524930 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.2 CCN1CCO[C@@H](C1)C 6773a2926bf65cf454f86f72394acd18 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.2 CCN1CCO[C@H](C1)C 2830584cb78b6db06594fe0e084d9b83 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.2 C[C@@H]1CCCN(C1)C=O b5e680c9235a8f69b3718f41b577e428 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.2 C[C@@H]1CN(CCO1)C=O b5db532eab9a99bf3ba15375dd3b6f02 [0,1,0,0,0,1|1,0,0]=3 730 B9R1.2 C[C@@H]1CN(CCO1)CF 3b82e6ab612ad0d331b047e2904a7f87 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.2 C[C@@H]1CN(CCO1)CO 11017e5ee62e4fd7346d2d1374c88c4c [0,1,0,0,0,1|1,0,1]=4 732 B9R1.2 C[C@H]1CCCN(C1)C=O 4dab749a75683c45748ebdcac3ae2c8b [0,1,0,0,0,1|2,0,0]=4 733 B9R1.2 C[C@H]1CN(CCO1)C=O df29ae4feffabe0da5bd47bb2c69d059 [0,1,0,0,0,1|1,0,0]=3 734 B9R1.2 C[C@H]1CN(CCO1)CF e69c1008d59a2450179733e0300d4744 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.2 C[C@H]1CN(CCO1)CO d21afa11a092c2202f863301c8e7ddd7 [0,1,0,0,0,1|1,0,1]=4 736 B9R1.2 O=C1CCCN(C1)CF 4a3aadad28924fa951595c84af73b014 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.2 O=C1CCCN(C1)CO 6d0678682a57a081022f992f70f98004 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.15 CC1CCCCN1C=O 5edffbe7b981e62d376cf463cc81b5a0 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.15 CC1COCCN1C=O 04bb76f81435fa2bb54099b84251b430 [0,1,0,0,0,1|1,0,0]=3 740 B9R1.15 CC1COCCN1CF 401bd486c04b9a07bbe49b4540096330 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.15 CC1COCCN1CO 705303c7f5b77544a5d6b874419dd2f3 [0,1,0,0,0,1|1,0,1]=4 742 B9R1.15 CCN1CCOCC1C d988f162f59d8d529a05d21c4fa9e52e [0,1,0,0,0,1|2,0,0]=4 743 B9R1.15 CCN1CCOC[C@@H]1C b796884dca54268fe3558fca50be7fce [0,1,0,0,0,1|2,0,0]=4 744 B9R1.15 CCN1CCOC[C@H]1C b06b9b18794e3a242396ddab5337643c [0,1,0,0,0,1|2,0,0]=4 745 B9R1.15 C[C@@H]1CCCCN1C=O a3eec1c9235da9d654fdc4f1cd619716 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.15 C[C@@H]1COCCN1C=O 0c7d5e9730004733a4641e1221ef05f8 [0,1,0,0,0,1|1,0,0]=3 747 B9R1.15 C[C@@H]1COCCN1CF 9c39bfec5c926b2ec842e40e26f0d812 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.15 C[C@@H]1COCCN1CO cc00a904ba5929613dd582b457b98630 [0,1,0,0,0,1|1,0,1]=4 749 B9R1.15 C[C@H]1CCCCN1C=O ca092eb4253ff1332fa8641d72ce7d5e [0,1,0,0,0,1|2,0,0]=4 750 B9R1.15 C[C@H]1COCCN1C=O 768699be3648dab4c6a8b1f24cf31cd1 [0,1,0,0,0,1|1,0,0]=3 751 B9R1.15 C[C@H]1COCCN1CF bfb8a48aab5613f75bb3a939e4ce04c1 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.15 C[C@H]1COCCN1CO baf0a3d72ae51972944f2afc0599cf12 [0,1,0,0,0,1|1,0,1]=4 753 B9R1.14 CCC1CCCN1C=O 9bfd3104fb9bd3ec80e56f7f40a87d09 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.14 CC[C@@H]1CCCN1C=O da9d0e05329f820d63cc29621bd7430d [0,2,0,0,0,0|2,0,0]=4 755 B9R1.14 COC1CCCN1C=O 8aa7b22777bc471212d982f27b92f5fd [0,2,0,0,0,0|2,0,0]=4 756 B9R1.14 O=CN1CCCC1CO 75b12ffa9bd2f35acc3b984d4ad2e6f7 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.14 O=CN1CCC[C@@H]1CF 45884ece6cccc8922acf889d282db837 [0,2,0,0,0,0|2,0,0]=4 758 B9R1.14 O=CN1CCC[C@@H]1CO b2e4d0ee0a911eac6a5bfd92181e1f8a [0,2,0,0,0,0|2,0,0]=4 759 B9R1.14 O=CN1CCC[C@H]1CF efa94b1e9832aaf370863a6f8233628a [0,2,0,0,0,0|2,0,0]=4 760 B9R1.14 O=CN1CCC[C@H]1CO 6edb00daf504246f581ca4815eae2e10 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.22 C[C@@H]1C[C@@H](CN1C=O)F 866cd1b9eac3b26ebefcf0449eb1d12f [0,2,0,0,0,0|2,0,0]=4 762 B9R1.22 C[C@@H]1C[C@@H](CN1C=O)O b40143ee8e48cfd770829911a8b46f8d [0,2,0,0,0,0|2,0,0]=4 763 B9R1.22 C[C@@H]1C[C@H](CN1C=O)F 22fa3c0587ce380260a265b5d4b87638 [0,2,0,0,0,0|2,0,0]=4 764 B9R1.22 C[C@@H]1C[C@H](CN1C=O)O 60eb22575469d8871df9978a112b8c6d [0,2,0,0,0,0|2,0,0]=4 765 B9R1.22 C[C@H]1C[C@@H](CN1C=O)F 2ba438468c12c52a02932e80a283af8a [0,2,0,0,0,0|2,0,0]=4 766 B9R1.22 C[C@H]1C[C@@H](CN1C=O)O 8702060aeac9a43f04a897de18943e9e [0,2,0,0,0,0|2,0,0]=4 767 B9R1.22 C[C@H]1C[C@H](CN1C=O)F f3e6d019b0de48154eabfbc692436849 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.22 C[C@H]1C[C@H](CN1C=O)O 3eb89d72ebff7a41331c4a59767af0a4 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.24 CC1(CCCN1C=O)C bfcdc2fdf4723a8bc6b719b67d8712b1 [0,2,0,0,0,0|2,0,0]=4 770 B9R1.24 CC1(OCCN1C=O)C 3ecb6c4b73b93c283ed9aa2c0ba5042d [0,2,0,0,0,0|1,0,0]=3 771 B9R1.24 CC1(OCCN1CF)C a96dff071e862f641074610f0777297f [0,2,0,0,0,0|2,0,0]=4 772 B9R1.24 CC1(OCCN1CO)C 62f06885b291375dc111686a10532502 [0,2,0,0,0,0|1,0,1]=4 773 B9R1.24 CC1(SCCN1C=O)C 8d8a404daa2634874cadd5273d865928 [0,2,0,0,0,0|1,1,0]=4 774 B9R1.24 CCN1CCOC1(C)C 1d983d19a10838ec18c0279eab124551 [0,2,0,0,0,0|2,0,0]=4 775 B9R1.27 CC1CCC(N1C=O)C 974bae1405fe69bfea26b733c8b4d59d [0,2,0,0,0,0|2,0,0]=4 776 B9R1.27 C[C@@H]1CC[C@@H](N1C=O)C 28badcd7126a0fb280e7c12d2c3e5b86 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.27 C[C@@H]1CC[C@H](N1C=O)C 14117eb6b1ac6a4c8652c1fab96220d1 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.27 C[C@H]1CC[C@@H](N1C=O)C 0bd414895024833ff1abad1390ce1780 [0,2,0,0,0,0|2,0,0]=4 779 B9R1.33 CC1CCCN1CC=O 27928a5411863f8bf406ba8c60b72aa7 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.33 CC1SCCN1CC=O e074df1e5165ebc9fde046428f7d1e09 [0,2,0,0,0,0|1,1,0]=4 781 B9R1.33 CCNC1CCNC1=O 7ca8029da61d3d4038e53b166243ebeb [0,2,0,0,0,0|2,0,0]=4 782 B9R1.33 CCNC1CCSC1=O b170125bf493751e42532dd86c219256 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.33 CCN[C@@H]1CCNC1=O b778b480924bfa692e02248b56fb56cd [0,2,0,0,0,0|2,0,0]=4 784 B9R1.33 CCN[C@@H]1CCOC1=O 74b3897799f45738d0bb44924384c10e [0,2,0,0,0,0|2,0,0]=4 785 B9R1.33 CCN[C@H]1CCNC1=O 659170641ab39dc9cbd8871033438dcc [0,2,0,0,0,0|2,0,0]=4 786 B9R1.33 CCN[C@H]1CCOC1=O 5ec21f69d9ce47df74aa6d4e2b7c83d0 [0,2,0,0,0,0|2,0,0]=4 787 B9R1.33 CCOC1=CCCC1=O 9fef6e163e059a9e927a72209e5c8e3f [0,2,0,0,0,0|1,0,1]=4 788 B9R1.33 CCOC1CCCC1=O 19fd59f8b378305519536cfc5c950157 [0,2,0,0,0,0|1,0,0]=3 789 B9R1.33 CCOC1CCNC1=O 8fdacff95d4ce2d1c3d495fa66f75dd5 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.33 CCO[C@@H]1CCNC1=O d615de1523fb9db14752de0db1c501b4 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.33 CCO[C@H]1CCNC1=O 5eaae9c583183b85f65e479b22e5ff87 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.33 C[C@@H]1CCCN1CC=O 628393964742a01eee790b1703c7f48c [0,2,0,0,0,0|2,0,0]=4 793 B9R1.33 C[C@H]1CCCN1CC=O 7489760bd07ab3dac73fc24ef598634e [0,2,0,0,0,0|2,0,0]=4 794 B9R1.33 N#CNC1CCCC1=O 4766ca674fd24fd209e30ce8fb66d461 [0,2,0,0,0,0|1,0,1]=4 795 B9R1.33 O=C1CCC=C1OCF b22058576bb364e41f2e3ffa14cab4cd [0,2,0,0,0,0|1,0,1]=4 796 B9R1.33 O=C1CCCC1OCF b783fc93d29df7b700fa1dae2c7b2018 [0,2,0,0,0,0|1,0,0]=3 797 B9R1.33 O=C1NCCC1NCF e934d4b546df5e1c21b2abb87c40be93 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.33 O=C1NCCC1NCO f89457b8b6195d5e1e378aab9b707899 [0,2,0,0,0,0|2,0,0]=4 799 B9R1.33 O=C1NCCC1OCF 73ec71a289921f584b3988da331f4766 [0,2,0,0,0,0|2,0,0]=4 800 B9R1.33 O=C1NCC[C@@H]1NCF aa36b634ddd34b967ad5a52483739117 [0,2,0,0,0,0|2,0,0]=4 801 B9R1.33 O=C1NCC[C@@H]1NCO 8e6a4f04c55a75e390a6856d15c97bad [0,2,0,0,0,0|2,0,0]=4 802 B9R1.33 O=C1NCC[C@@H]1OCF 567831d654d4c3b0f3ecd3178744a17b [0,2,0,0,0,0|2,0,0]=4 803 B9R1.33 O=C1NCC[C@H]1NCF d2e1dbc662f1cc4ae8e5908e2cede490 [0,2,0,0,0,0|2,0,0]=4 804 B9R1.33 O=C1NCC[C@H]1NCO d03ec1da6f87c1b1f9b15a44bc1d78ad [0,2,0,0,0,0|2,0,0]=4 805 B9R1.33 O=C1NCC[C@H]1OCF 3225acd7e5de778f9cd3a600f37ca60a [0,2,0,0,0,0|2,0,0]=4 806 B9R1.33 O=C1OCCC1OCF b85388f82f2377d14f86f51a66ceceb4 [0,2,0,0,0,0|2,0,0]=4 807 B9R1.33 O=C1OCC[C@@H]1NCF e1dd4e315ccdd3ee423490069e903050 [0,2,0,0,0,0|2,0,0]=4 808 B9R1.33 O=C1OCC[C@@H]1NCO fd71f95ebb01bbdbbb2ef25d589937b3 [0,2,0,0,0,0|2,0,0]=4 809 B9R1.33 O=C1OCC[C@@H]1OCF 04d97e9b330871c6652fe82ab6503f03 [0,2,0,0,0,0|2,0,0]=4 810 B9R1.33 O=C1OCC[C@H]1NCF f31145c15fd3ca3d3a6551d0366095af [0,2,0,0,0,0|2,0,0]=4 811 B9R1.33 O=C1OCC[C@H]1NCO e4d04d631c6f331f98f78546df6deaf9 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.33 O=C1OCC[C@H]1OCF 120575dbb395d8d5ab73f91874f52789 [0,2,0,0,0,0|2,0,0]=4 813 B9R1.33 O=C1SCCC1NCF ba2963085da0901be8e733658eebcd1e [0,2,0,0,0,0|2,0,0]=4 814 B9R1.33 O=C1SCCC1NCO 971434990856107bfee853a9f2299987 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.41 CC(=O)N1CCCC1C f3ed72e102a18b3ca7365fff10aeb6f8 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.41 CC(=O)N1CCC[C@@H]1C 45c9778b44581f9933633398df3c02d2 [0,2,0,0,0,0|2,0,0]=4 817 B9R1.41 CC(=O)N1CCC[C@H]1C 77e41bde24aa3c51a340cfebe6f455b1 [0,2,0,0,0,0|2,0,0]=4 818 B9R1.41 CC(=O)N1CCSC1C 13a90b79e1eaed8ff645ef446550c0e3 [0,2,0,0,0,0|1,1,0]=4 819 B9R1.132 CC1C(CCN1C=O)O 6224b15dc429c09dff767b50cb0be4d8 [0,2,0,0,0,0|2,0,0]=4 820 B9R1.132 C[C@@H]1[C@@H](CCN1C=O)O 3c7246ef7fbf0f5b38ead5c398cfb526 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.132 C[C@H]1[C@H](CCN1C=O)O d9842832849031601c0df07d9d01d0a4 [0,2,0,0,0,0|2,0,0]=4 822 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,0,1,1,0,0|1,0,1]=4 823 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,0,1,1,0,0|0,0,2]=4 824 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,0,1,1,0,0|0,1,1]=4 825 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [0,0,1,1,0,0|2,0,0]=4 826 B7R1.10 CCN1CC(C1)O 64169be24f24ac0d0d4e63cfda9c5a6f [0,0,1,1,0,0|2,0,0]=4 827 B7R1.22 CN(C=O)C1CC1 928f5a4e3607cba3f0183c684f92be70 [0,0,1,1,0,0|2,0,0]=4 828 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,1,1,0,0|2,0,0]=4 829 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [0,0,1,1,0,0|1,0,1]=4 830 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [0,0,1,1,0,0|2,0,0]=4 831 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [0,0,1,1,0,0|2,0,0]=4 832 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [0,0,1,1,0,0|2,0,0]=4 833 B9R2.59 O=CN1CC2CC1C2 7083bd67d5f57ca82c07e3256b09b489 [0,1,0,1,0,0|2,0,0]=4 834 B9R2.70 O=CN1CCC2C1C2 d206edc137cc271c5c4fc8f637217354 [0,1,0,1,0,0|2,0,0]=4