0 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 C#CCOCF 0e978033291daf7dd93639008f4f2560 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [0,0,0,0,0,0|1,0,0]=1 5 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [0,0,0,0,0,0|1,0,1]=2 9 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [0,0,0,0,0,0|2,0,1]=3 19 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [0,0,0,0,0,0|2,0,1]=3 20 B5R0.2 COCNC#N 6538804d39cac1707c9f03c6cddb6366 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [0,0,0,0,0,0|2,0,1]=3 22 B5R0.2 CSCNC#N dd90c86c89ce5a99a45720112f2e07ec [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [0,0,0,0,0,0|3,0,1]=4 24 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [0,0,0,0,0,0|3,0,1]=4 27 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [0,0,0,0,0,0|2,0,1]=3 30 B5R0.2 N#CCOCF a376014f96206b9d86fce99546d2dc7b [0,0,0,0,0,0|2,0,2]=4 31 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.2 N#CNCCF e4f929564511bdc0425e713012cd3079 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.2 N#CNCCS acd2c3aea28fc33dac0673fcfba0648d [0,0,0,0,0,0|3,0,1]=4 35 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [0,0,0,0,0,0|2,0,0]=2 36 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [0,0,0,0,0,0|2,0,2]=4 42 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [0,0,0,0,0,0|2,0,2]=4 46 B4R0.2 CCNC#N d0f03dd102d2d8b7abe705087df6ba79 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.1 C#CC(C)NC=O 50c944dc0c2f52246cf2f8b75f249da5 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.1 C#CCN(C)C=O ddfa5ba776054c2a7c5ce6a0cde7a3ee [0,1,0,0,0,0|1,0,2]=4 50 B6R0.1 C#C[C@@H](C)NC=O 4fee702505a1fdefb270b5b6e9eb7aa3 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.1 C#C[C@H](C)NC=O 55f7e717dc246fc1c154a9332387447d [0,1,0,0,0,0|1,0,2]=4 52 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [0,1,0,0,0,0|3,0,0]=4 59 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 CC(C#N)NC=O bab971dbe2c7155864d30c197f73349b [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CCC(C)NC#N c755bc17a86225b89fbcb7b323cbfbb8 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,1,0,0,0,0|1,0,0]=2 67 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|1,0,0]=2 71 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,1,0,0,0,0|2,0,1]=4 72 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,0,0,0,0|1,0,2]=4 74 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,1,0,0,0,0|2,0,0]=3 75 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,1,0,0,0,0|2,0,1]=4 77 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,1,0,0,0,0|1,0,1]=3 80 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,1,0,0,0,0|1,0,1]=3 83 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,1,0,0,0,0|1,0,0]=2 86 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,1,0,0,0,0|2,0,1]=4 87 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,1,0,0,0,0|1,0,1]=3 89 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,1,0,0,0,0|1,0,0]=2 90 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,1,0,0,0,0|1,0,1]=3 93 B6R0.1 CN(C=O)CC#N a7a395c841bf1c778a7b432155652f5f [0,1,0,0,0,0|2,0,1]=4 94 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|2,0,0]=3 96 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,1,0,0,0,0|2,0,0]=3 98 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,1,0,0,0,0|1,0,2]=4 100 B6R0.4 C=C(Br)CNC=O 2e020a236ab831176aea02028302e186 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,1,0,0,0,0|1,0,1]=3 104 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,1,0,0,0,0|3,0,0]=4 105 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,1,0,0,0,0|1,0,2]=4 107 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,1,0,0,0,0|3,0,0]=4 109 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,1,0,0,0,0|1,0,1]=3 112 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,1,0,0,0,0|3,0,0]=4 114 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,1,0,0,0,0|1,0,2]=4 115 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,1,0,0,0,0|2,0,0]=3 118 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,1,0,0,0,0|2,0,0]=3 119 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.4 CC(C)CNC#N 4669aa11e322ca513b1e9ea16868c159 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [0,1,0,0,0,0|1,0,2]=4 125 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,1,0,0,0,0|2,0,1]=4 128 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.4 CC(O)CNC#N f1c6c355e50ceab4bc37c7398481619a [0,1,0,0,0,0|2,0,1]=4 131 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,1,0,0,0,0|1,0,2]=4 134 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [0,1,0,0,0,0|1,0,1]=3 135 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,1,0,0,0,0|1,0,1]=3 138 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,1,0,0,0,0|2,0,1]=4 142 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,1,0,0,0,0|2,0,0]=3 146 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,1,0,0,0,0|2,0,0]=3 147 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,1,0,0,0,0|2,1,0]=4 149 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,1,0,0,0,0|1,0,1]=3 150 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,1,0,0,0,0|1,0,1]=3 152 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,1,0,0,0,0|1,0,1]=3 155 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,1,0,0,0,0|1,0,1]=3 156 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,1,0,0,0,0|2,0,1]=4 157 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [0,1,0,0,0,0|1,0,1]=3 159 B6R0.4 C[C@@H](O)CNC#N e3345931a28baeaadc1130dfdade6003 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [0,1,0,0,0,0|1,0,0]=2 161 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [0,1,0,0,0,0|2,0,1]=4 162 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,1,0,0,0,0|1,0,2]=4 163 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [0,1,0,0,0,0|1,0,1]=3 164 B6R0.4 C[C@H](O)CNC#N 269e98544ebb3ff67d9e1081dfeb62f0 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,1,0,0,0,0|1,0,2]=4 168 B6R0.4 FCOCC(F)F 93da8152d196f70d388a7f1ac91073db [0,1,0,0,0,0|2,0,1]=4 169 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,1,0,0,0,0|2,0,1]=4 170 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,1,0,0,0,0|3,0,0]=4 171 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,1,0,0,0,0|3,0,0]=4 172 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,1,0,0,0,0|3,0,0]=4 173 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,1,0,0,0,0|3,0,0]=4 174 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.4 O=CNCC(F)F b205fb0d823ccdf5423d257101ba187a [0,1,0,0,0,0|2,0,0]=3 177 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,1,0,0,0,0|1,0,2]=4 180 B6R0.6 C#CCCOCF e5402a79d25f6b3b1ad2455faba59ce3 [0,1,0,0,0,0|1,0,2]=4 181 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [0,1,0,0,0,0|1,0,2]=4 182 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.6 C#CCOCC=C 9ee4b3b7cf76c12c4527cb9a8ab9f5f0 [0,1,0,0,0,0|1,0,2]=4 184 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [0,1,0,0,0,0|0,0,2]=3 185 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,1,0,0,0,0|1,0,1]=3 186 B6R0.6 C#CCOCCF c62af05f9a9be4d9caeeb1a076d989b5 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.6 C#CCOCCS cdf5f7a6749fed2dbb996236fcf00c58 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.6 C#CCOCOC 8c9553a6f766e25bc5c8f801bbc89cc1 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.6 C#CCOCSC 52002a13a3c2019ebe79ada1718575f3 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [0,1,0,0,0,0|1,0,2]=4 192 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [0,1,0,0,0,0|1,0,2]=4 194 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [0,1,0,0,0,0|1,0,1]=3 195 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,1,0,0,0,0|2,0,0]=3 196 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,1,0,0,0,0|3,0,0]=4 198 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,1,0,0,0,0|2,0,0]=3 199 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,1,0,0,0,0|1,0,2]=4 200 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,1,0,0,0,0|3,0,0]=4 201 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,1,0,0,0,0|3,0,0]=4 204 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,1,0,0,0,0|3,0,0]=4 205 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,1,0,0,0,0|3,0,0]=4 206 B6R0.6 C=CCOCC#N 74b14a6e6555166ef6d735282c8bae13 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,1,0,0,0,0|2,0,0]=3 211 B6R0.6 CC#CCNCC a6f1b76f7ded3d3d75d35a122acc0b8f [0,1,0,0,0,0|2,0,1]=4 212 B6R0.6 CC#CCOCC 150599371f7a5020048fdfb73583470c [0,1,0,0,0,0|1,0,2]=4 213 B6R0.6 CC#CCOCF 48d683a32721d3bca47297be0791e472 [0,1,0,0,0,0|1,0,2]=4 214 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,1,0,0,0,0|1,0,1]=3 215 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,1,0,0,0,0|2,0,0]=3 216 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [0,1,0,0,0,0|3,0,0]=4 218 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [0,1,0,0,0,0|1,0,2]=4 220 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [0,1,0,0,0,0|2,0,1]=4 221 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,1,0,0,0,0|1,0,0]=2 222 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [0,1,0,0,0,0|2,0,1]=4 224 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [0,1,0,0,0,0|1,0,2]=4 225 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,1,0,0,0,0|1,0,1]=3 226 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,1,0,0,0,0|1,0,1]=3 227 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,1,0,0,0,0|2,0,1]=4 230 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,1,0,0,0,0|1,0,2]=4 234 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,1,0,0,0,0|1,1,1]=4 235 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,1,0,0,0,0|1,0,2]=4 236 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,1,0,0,0,0|1,1,1]=4 237 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,1,0,0,0,0|1,0,1]=3 238 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,1,0,0,0,0|0,0,0]=1 239 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,1,0,0,0,0|1,0,1]=3 240 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,1,0,0,0,0|1,0,1]=3 241 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,1,0,0,0,0|0,1,1]=3 242 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,1,0,0,0,0|0,0,2]=3 243 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,1,0,0,0,0|0,1,1]=3 244 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,1,0,0,0,0|2,0,1]=4 246 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,1,0,0,0,0|1,0,2]=4 247 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,1,0,0,0,0|2,0,1]=4 250 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.6 CCOCC#CI c5125846087d34184525bc1c772ba69a [0,1,0,0,0,0|2,0,1]=4 252 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,1,0,0,0,0|1,0,2]=4 254 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,1,0,0,0,0|1,0,0]=2 255 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,1,0,0,0,0|1,0,1]=3 256 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,1,0,0,0,0|1,0,1]=3 257 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,1,0,0,0,0|1,0,1]=3 258 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,1,0,0,0,0|1,0,1]=3 259 B6R0.6 CCOCNC#N 78dbc831fd4cf862818c3ec7bd4116c9 [0,1,0,0,0,0|2,0,1]=4 260 B6R0.6 COCCNC#N c7f53ce2573b022a6239a28d1a5e471a [0,1,0,0,0,0|2,0,1]=4 261 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,1,0,0,0,0|1,0,0]=2 262 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [0,1,0,0,0,0|2,0,1]=4 263 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [0,1,0,0,0,0|1,0,2]=4 264 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.6 COCOCC#N 764be25d1fe6d7509c53a5289ba9b4c6 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,1,0,0,0,0|1,0,0]=2 267 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [0,1,0,0,0,0|1,0,2]=4 268 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [0,1,0,0,0,0|1,0,2]=4 269 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [0,1,0,0,0,0|1,0,2]=4 270 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [0,1,0,0,0,0|1,0,2]=4 271 B6R0.6 CSCCNC#N 600fd746ec0d58a2c56bd925339f8673 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,1,0,0,0,0|1,0,0]=2 273 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [0,1,0,0,0,0|1,0,2]=4 275 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [0,1,0,0,0,0|1,0,1]=3 276 B6R0.6 CSCOCC#N 86a9322be62d2f60d6a769d9f5959c98 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [0,1,0,0,0,0|1,1,1]=4 278 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [0,1,0,0,0,0|1,1,1]=4 279 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [0,1,0,0,0,0|1,0,1]=3 280 B6R0.6 FCCOCCF 834b8c77ba6896712d1d6af7c59dbfbc [0,1,0,0,0,0|2,0,1]=4 281 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [0,1,0,0,0,0|1,1,1]=4 282 B6R0.6 FCNCCCCl 44349a2e6a1b6f1dc0f8b9fd71ed7936 [0,1,0,0,0,0|2,0,1]=4 283 B6R0.6 FCOC/C=C/Cl b004e8b2046201bd100e010636144deb [0,1,0,0,0,0|3,0,0]=4 284 B6R0.6 FCOCC=CCl 73af65b88ff3f3e74144a7afcc6be997 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [0,1,0,0,0,0|1,0,1]=3 286 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [0,1,0,0,0,0|1,0,1]=3 287 B6R0.6 N#CCCOCF ad9f2d4c11e9f2620e210c80fa91c9b0 [0,1,0,0,0,0|1,0,2]=4 288 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [0,1,0,0,0,0|1,0,1]=3 290 B6R0.6 N#CCOCCF a1053cc79ef9f30ddeb27ec16b94a5ba [0,1,0,0,0,0|2,0,1]=4 291 B6R0.6 N#CCOCCS 0fd93ad5ad6ac5ec81f01766264bbfba [0,1,0,0,0,0|2,0,1]=4 292 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.6 N#CNCCCF bafce70d703899503344865cbdf8b642 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.6 N#CNCCCO 25dc7b5f5ac7b192bc9c580017fb28a4 [0,1,0,0,0,0|2,0,1]=4 295 B6R0.6 N#CNCCCS 779323b21cf6943c3dc6826112ae19e6 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [0,1,0,0,0,0|2,0,0]=3 297 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,1,0,0,0,0|2,0,0]=3 298 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,1,0,0,0,0|2,0,0]=3 299 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,1,0,0,0,0|2,0,0]=3 300 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,1,0,0,0,0|2,0,0]=3 301 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,1,0,0,0,0|2,0,0]=3 302 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,1,0,0,0,0|2,0,0]=3 303 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,1,0,0,0,0|1,0,0]=2 304 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,1,0,0,0,0|1,0,0]=2 305 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,1,0,0,0,0|1,0,0]=2 306 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,1,0,0,0,0|1,0,0]=2 307 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [0,1,0,0,0,0|2,0,1]=4 308 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [0,1,0,0,0,0|1,0,2]=4 309 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [0,1,0,0,0,0|1,0,2]=4 310 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [0,1,0,0,0,0|1,1,1]=4 311 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [0,0,0,1,0,0|2,0,1]=4 312 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [0,0,0,1,0,0|1,0,1]=3 313 B6R1.3 FCNC1CC1 1715feed97cb051cb760323cf608febe [0,0,0,1,0,0|2,0,1]=4 314 B6R1.3 FCOC1CC1 c80b7a723f6ace17df2859b2130f1eb6 [0,0,0,1,0,0|1,0,1]=3 315 B6R1.3 N#CNC1CC1 e16d88e60b8af9226032f06df181743e [0,0,0,1,0,0|2,0,1]=4 316 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [0,0,0,1,0,0|1,0,0]=2 317 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [0,0,0,1,0,0|1,0,2]=4 318 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [0,0,0,1,0,0|2,0,1]=4 319 B6R1.6 FCN1CCC1 be36fe433e3b5fde99e14f4c177c697e [0,0,0,1,0,0|2,0,1]=4 320 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,0,0,1,0,0|1,0,0]=2 321 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,0,0,1,0,0|1,0,2]=4 322 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,1,0,0,0,0|1,0,0]=3 325 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,2,0,0,0,0|2,0,0]=4 329 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [0,2,0,0,0,0|1,0,0]=3 330 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [0,2,0,0,0,0|1,0,0]=3 333 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,2,0,0,0,0|1,0,1]=4 335 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,2,0,0,0,0|2,0,0]=4 336 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,2,0,0,0,0|2,0,0]=4 337 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,2,0,0,0,0|1,0,0]=3 338 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,2,0,0,0,0|1,0,0]=3 340 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,2,0,0,0,0|1,0,1]=4 341 B7R0.2 CN(C=O)CC(F)F 404a25a6927f94afdcbf48eb95fbc13d [0,2,0,0,0,0|2,0,0]=4 342 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [0,2,0,0,0,0|1,0,0]=3 343 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.3 C#CC(C)NCC=O ee5942f89b23fd86f41ead0eb91f1f2e [0,2,0,0,0,0|2,0,0]=4 350 B7R0.3 C#CC(C)OCC=O ba88f9e6c584cf37d447c8f942df3466 [0,2,0,0,0,0|0,0,2]=4 351 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.3 C#CCCN(C)C=O 125766f3203296343dccf9d807927bcd [0,2,0,0,0,0|1,0,1]=4 353 B7R0.3 C#CCOC(=C)C=O ced1e021bc6a744880f2ef348f605d5b [0,2,0,0,0,0|0,0,2]=4 354 B7R0.3 C#CCOC(C)C=O 5e078bffbbf24660e1e42ec455de06b7 [0,2,0,0,0,0|0,0,2]=4 355 B7R0.3 C#CCOC(C)CC 59388fb49cbbdba7f912f977834cecae [0,2,0,0,0,0|1,0,1]=4 356 B7R0.3 C#CCO[C@@H](C)CC 0638932b66273b5968485ec5247ca338 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.3 C#CCO[C@H](C)C=O 3dffa8d1b413bae459ea6e9776898d1a [0,2,0,0,0,0|0,0,2]=4 358 B7R0.3 C#CCO[C@H](C)CC 846e054615825e240b725005682063ae [0,2,0,0,0,0|1,0,1]=4 359 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [0,2,0,0,0,0|2,0,0]=4 360 B7R0.3 C#C[C@@H](C)OCC=O e5dc09536c65fde58fa0a450d6db7a37 [0,2,0,0,0,0|0,0,2]=4 361 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [0,2,0,0,0,0|1,0,1]=4 362 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [0,2,0,0,0,0|2,0,0]=4 363 B7R0.3 C#C[C@H](C)OCC=O 0416c8a6869357496f6fa27d6441617b [0,2,0,0,0,0|0,0,2]=4 364 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [0,2,0,0,0,0|2,0,0]=4 366 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.3 C=C(C=O)OCC#N bcebcba3ad02786b6cd38de5985d1826 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [0,2,0,0,0,0|1,0,1]=4 369 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,2,0,0,0,0|0,0,0]=2 370 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,2,0,0,0,0|1,0,0]=3 371 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,2,0,0,0,0|1,0,0]=3 376 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,2,0,0,0,0|2,0,0]=4 377 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,2,0,0,0,0|2,0,0]=4 378 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,2,0,0,0,0|2,0,0]=4 379 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,2,0,0,0,0|1,0,1]=4 381 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,2,0,0,0,0|2,0,0]=4 383 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,2,0,0,0,0|0,0,2]=4 385 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,2,0,0,0,0|1,0,0]=3 386 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,2,0,0,0,0|2,0,0]=4 388 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,2,0,0,0,0|2,0,0]=4 389 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [0,2,0,0,0,0|1,0,1]=4 391 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [0,2,0,0,0,0|1,0,1]=4 393 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,2,0,0,0,0|2,0,0]=4 395 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,2,0,0,0,0|2,0,0]=4 397 B7R0.3 C=CCOC(=C)C=O e6886899fd17c4b0e35e10fadb840144 [0,2,0,0,0,0|0,0,2]=4 398 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [0,2,0,0,0,0|0,0,2]=4 399 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,2,0,0,0,0|1,0,0]=3 400 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [0,2,0,0,0,0|2,0,0]=4 402 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,2,0,0,0,0|1,0,0]=3 403 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,2,0,0,0,0|1,0,0]=3 404 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [0,2,0,0,0,0|2,0,0]=4 405 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,2,0,0,0,0|0,0,2]=4 406 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,2,0,0,0,0|1,0,0]=3 407 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,2,0,0,0,0|2,0,0]=4 410 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,2,0,0,0,0|2,0,0]=4 411 B7R0.3 CC(C#N)COCF 5bd96783c2c616ddb9bb1c10857135df [0,2,0,0,0,0|1,0,1]=4 412 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [0,2,0,0,0,0|2,0,0]=4 413 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,2,0,0,0,0|2,0,0]=4 414 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,2,0,0,0,0|2,0,0]=4 415 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,2,0,0,0,0|2,0,0]=4 416 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,2,0,0,0,0|2,0,0]=4 417 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,2,0,0,0,0|1,0,1]=4 420 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|1,0,0]=3 422 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,2,0,0,0,0|2,0,0]=4 425 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,2,0,0,0,0|1,0,0]=3 426 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,2,0,0,0,0|1,0,1]=4 427 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,2,0,0,0,0|2,0,0]=4 431 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,2,0,0,0,0|2,0,0]=4 432 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,2,0,0,0,0|1,0,0]=3 433 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,2,0,0,0,0|1,0,1]=4 434 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,2,0,0,0,0|1,0,0]=3 435 B7R0.3 CCC(C)OCC#N 50ba24c28a608cb499d346735f93665e [0,2,0,0,0,0|1,0,1]=4 436 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,2,0,0,0,0|0,0,0]=2 437 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,2,0,0,0,0|1,0,1]=4 438 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,2,0,0,0,0|0,1,1]=4 439 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,2,0,0,0,0|0,0,2]=4 440 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,2,0,0,0,0|0,1,1]=4 441 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,2,0,0,0,0|1,0,0]=3 442 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,2,0,0,0,0|1,0,0]=3 443 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,2,0,0,0,0|1,0,0]=3 444 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,2,0,0,0,0|1,0,0]=3 445 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,2,0,0,0,0|1,0,0]=3 447 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,2,0,0,0,0|1,0,0]=3 449 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,2,0,0,0,0|1,0,0]=3 450 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [0,2,0,0,0,0|1,0,1]=4 451 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,2,0,0,0,0|0,0,0]=2 452 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,2,0,0,0,0|1,0,1]=4 454 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,2,0,0,0,0|0,1,1]=4 455 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,2,0,0,0,0|1,0,1]=4 456 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,2,0,0,0,0|0,0,0]=2 457 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,2,0,0,0,0|0,1,1]=4 459 B7R0.3 CCN(C)C/C=C/Cl 823585dad91397251f5e992cc63297db [0,2,0,0,0,0|2,0,0]=4 460 B7R0.3 CCN(C)C/C=C\Cl c5e2db65672dae81ab8ccdee907a4957 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [0,2,0,0,0,0|1,0,1]=4 462 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,2,0,0,0,0|1,0,0]=3 463 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,2,0,0,0,0|2,0,0]=4 464 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,2,0,0,0,0|2,0,0]=4 465 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,2,0,0,0,0|2,0,0]=4 466 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,2,0,0,0,0|1,0,1]=4 469 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,2,0,0,0,0|1,0,1]=4 472 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [0,2,0,0,0,0|1,0,1]=4 473 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,2,0,0,0,0|1,0,1]=4 474 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,2,0,0,0,0|1,0,1]=4 475 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,2,0,0,0,0|1,0,1]=4 476 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,2,0,0,0,0|1,0,1]=4 477 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [0,2,0,0,0,0|1,0,1]=4 478 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,2,0,0,0,0|1,0,1]=4 479 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,2,0,0,0,0|1,0,1]=4 480 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,2,0,0,0,0|1,0,1]=4 483 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,2,0,0,0,0|1,0,0]=3 484 B7R0.3 CC[C@@H](C)OCC#N 967f2c3fca95251181598ab565d2caef [0,2,0,0,0,0|1,0,1]=4 485 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,2,0,0,0,0|0,0,0]=2 486 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,2,0,0,0,0|0,1,1]=4 488 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,2,0,0,0,0|0,0,2]=4 489 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,2,0,0,0,0|0,1,1]=4 490 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,2,0,0,0,0|1,0,0]=3 491 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,2,0,0,0,0|1,0,0]=3 492 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,2,0,0,0,0|1,0,1]=4 493 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,2,0,0,0,0|1,0,0]=3 494 B7R0.3 CC[C@H](C)OCC#N ea9aeb285d0ece3233263861719aeec4 [0,2,0,0,0,0|1,0,1]=4 495 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,2,0,0,0,0|0,0,0]=2 496 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,2,0,0,0,0|0,1,1]=4 498 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,2,0,0,0,0|0,0,2]=4 499 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,2,0,0,0,0|0,1,1]=4 500 B7R0.3 CN(C=O)CCC#N c9fb209356e5efd88139356a9a10ffcc [0,2,0,0,0,0|1,0,1]=4 501 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,2,0,0,0,0|1,0,0]=3 502 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,2,0,0,0,0|1,0,1]=4 504 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [0,2,0,0,0,0|1,0,1]=4 506 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,2,0,0,0,0|1,0,0]=3 507 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,2,0,0,0,0|1,0,0]=3 508 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,2,0,0,0,0|1,0,0]=3 509 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,2,0,0,0,0|1,0,0]=3 510 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,2,0,0,0,0|1,0,0]=3 512 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [0,2,0,0,0,0|1,0,1]=4 513 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,2,0,0,0,0|1,0,0]=3 514 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,2,0,0,0,0|1,0,0]=3 515 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,2,0,0,0,0|2,0,0]=4 518 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,2,0,0,0,0|2,0,0]=4 519 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,2,0,0,0,0|2,0,0]=4 520 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.3 C[C@H](C=O)OCC#N a51c72275e2be0c3e4b80eaa109e7244 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,2,0,0,0,0|1,0,0]=3 523 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,2,0,0,0,0|1,0,0]=3 524 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,2,0,0,0,0|1,0,0]=3 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800c7155616705269676d2b386ed78aa [0,2,0,0,0,0|2,0,0]=4 538 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,2,0,0,0,0|2,0,0]=4 542 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,2,0,0,0,0|2,0,0]=4 544 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,2,0,0,0,0|2,0,0]=4 547 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,2,0,0,0,0|2,0,0]=4 549 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [0,2,0,0,0,0|1,0,0]=3 551 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,2,0,0,0,0|1,0,0]=3 552 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,2,0,0,0,0|1,0,0]=3 554 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,2,0,0,0,0|1,0,0]=3 555 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,2,0,0,0,0|2,0,0]=4 558 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [0,2,0,0,0,0|1,0,0]=3 560 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [0,2,0,0,0,0|2,0,0]=4 562 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,2,0,0,0,0|1,0,1]=4 564 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [0,2,0,0,0,0|1,0,0]=3 565 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,2,0,0,0,0|1,0,1]=4 566 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [0,2,0,0,0,0|1,0,0]=3 567 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,2,0,0,0,0|1,0,1]=4 568 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,2,0,0,0,0|1,0,0]=3 569 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,2,0,0,0,0|2,0,0]=4 575 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,2,0,0,0,0|2,0,0]=4 577 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,2,0,0,0,0|2,0,0]=4 578 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,2,0,0,0,0|2,0,0]=4 579 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,2,0,0,0,0|2,0,0]=4 582 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,2,0,0,0,0|2,0,0]=4 583 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,2,0,0,0,0|1,0,1]=4 584 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,2,0,0,0,0|2,0,0]=4 585 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,2,0,0,0,0|2,0,0]=4 586 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,2,0,0,0,0|1,0,1]=4 587 B7R0.5 C[C@@H](NC=O)C(F)F 7a46175a666eebcaecea38c10d41c5f2 [0,2,0,0,0,0|2,0,0]=4 588 B7R0.5 C[C@H](NC=O)C(F)F 5e0cefc125bbd8fa20819b1d21e2b0ce [0,2,0,0,0,0|2,0,0]=4 589 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,2,0,0,0,0|2,0,0]=4 594 B7R0.7 CC(CC#N)NC=O dfc1f8290024fbf8549fe517f54abe5f [0,2,0,0,0,0|1,0,1]=4 595 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,2,0,0,0,0|1,0,0]=3 596 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,2,0,0,0,0|1,0,0]=3 600 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,2,0,0,0,0|1,0,1]=4 602 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,2,0,0,0,0|1,0,0]=3 603 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,2,0,0,0,0|1,0,1]=4 604 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,2,0,0,0,0|1,0,0]=3 606 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,2,0,0,0,0|1,0,1]=4 610 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,2,0,0,0,0|2,0,0]=4 614 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,2,0,0,0,0|1,0,1]=4 616 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,2,0,0,0,0|1,0,0]=3 617 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,2,0,0,0,0|1,0,0]=3 619 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,2,0,0,0,0|1,0,1]=4 620 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,2,0,0,0,0|1,0,1]=4 621 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,2,0,0,0,0|1,0,0]=3 623 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,2,0,0,0,0|1,0,0]=3 625 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,2,0,0,0,0|2,0,0]=4 626 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,2,0,0,0,0|2,0,0]=4 627 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,2,0,0,0,0|2,0,0]=4 628 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [0,2,0,0,0,0|2,0,0]=4 629 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [0,2,0,0,0,0|2,0,0]=4 630 B7R0.11 CC(C)(CF)NC=O ff7fc0b5fb780004ba739902f541960d [0,2,0,0,0,0|2,0,0]=4 631 B7R0.11 CC(C)(CO)NC=O b948c4623b1c99369aaa53f2724551dc [0,2,0,0,0,0|2,0,0]=4 632 B7R0.11 CCC(C)(C)NC=O 467bc47a116e7d37bf8e07bc1f187838 [0,2,0,0,0,0|1,0,0]=3 633 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [0,2,0,0,0,0|1,0,1]=4 634 B7R0.12 C#CC(CC)OCF 8bef453312f7ac6f09d4b91d036d83cb [0,2,0,0,0,0|1,0,1]=4 635 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,2,0,0,0,0|1,0,1]=4 636 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [0,2,0,0,0,0|1,0,1]=4 637 B7R0.12 C=C[C@@H](CO)NC=O 5d09ef4825c604a2efc4917c4ac324ba [0,2,0,0,0,0|2,0,0]=4 638 B7R0.12 CCC(C#N)OCF c9ae646c0f0951391fec3ccfa891e7b4 [0,2,0,0,0,0|1,0,1]=4 639 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [0,2,0,0,0,0|1,0,0]=3 640 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.12 CCC(CO)NC=O 742cd9cb7df8523077fcd6bd9de1d480 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [0,2,0,0,0,0|2,0,0]=4 645 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [0,2,0,0,0,0|1,0,1]=4 646 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,2,0,0,0,0|1,0,1]=4 647 B7R0.12 CC[C@@H](CO)NC=O 637c953e48cb45b4be088640a9f26fb2 [0,2,0,0,0,0|1,0,0]=3 648 B7R0.12 CC[C@H](CO)NC=O c5c2fc5e70a5e94955887b0f6db6a1a2 [0,2,0,0,0,0|1,0,0]=3 649 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.12 O=CNC(CO)CO cf9304986c9a1419edf6773dbe4f0207 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,2,0,0,0,0|0,0,2]=4 653 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,2,0,0,0,0|0,0,2]=4 654 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,2,0,0,0,0|0,0,2]=4 655 B7R0.4 C#CCOCC(C)C 7b3dff03c4339e6282faa453495ddd1d [0,2,0,0,0,0|1,0,1]=4 656 B7R0.4 C#CCOCC(C)F 24ac5988e74e062c824d7dd007337322 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.4 C#CCOCC(C)S e8c23b3f60ec0b23e4801132bf3e2b9b [0,2,0,0,0,0|1,0,1]=4 658 B7R0.4 C#CCOC[C@@H](C)F db02bd9289832c68ea593e6f638a9e82 [0,2,0,0,0,0|1,0,1]=4 659 B7R0.4 C#CCOC[C@H](C)F fae2a0f25c10dfc4aa49f0e272066171 [0,2,0,0,0,0|1,0,1]=4 660 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [0,2,0,0,0,0|2,0,0]=4 661 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [0,2,0,0,0,0|2,0,0]=4 662 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,2,0,0,0,0|2,0,0]=4 663 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,2,0,0,0,0|2,0,0]=4 664 B7R0.4 C=C(Br)COCC=O 932c0edd4ecfcd86b1a7540357a0c61e [0,2,0,0,0,0|0,0,2]=4 665 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.4 C=C(Br)COCCF cd028c386ab5c9854ed6d44716188962 [0,2,0,0,0,0|2,0,0]=4 667 B7R0.4 C=C(Br)COCCS 2f018ef17191cca522d54112a5eff02e [0,2,0,0,0,0|2,0,0]=4 668 B7R0.4 C=C(Br)COCOC 07b1b57eb717a0955e8242d74555e9c9 [0,2,0,0,0,0|2,0,0]=4 669 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [0,2,0,0,0,0|1,0,0]=3 671 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,2,0,0,0,0|1,0,1]=4 673 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,2,0,0,0,0|1,0,1]=4 674 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,2,0,0,0,0|2,0,0]=4 676 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,2,0,0,0,0|0,0,1]=3 677 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,2,0,0,0,0|1,0,0]=3 678 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,2,0,0,0,0|2,0,0]=4 679 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,2,0,0,0,0|2,0,0]=4 680 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,2,0,0,0,0|2,0,0]=4 681 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,2,0,0,0,0|2,0,0]=4 683 B7R0.4 C=C(Cl)COCC=O a46b3c2e85fcf61c0da6edc2f5657d08 [0,2,0,0,0,0|0,0,2]=4 684 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.4 C=C(Cl)COCCF bfeec13c0fc32fddad28bd44930cedd4 [0,2,0,0,0,0|2,0,0]=4 686 B7R0.4 C=C(Cl)COCCS bed65824f0d2b594a8ec24439f554b14 [0,2,0,0,0,0|2,0,0]=4 687 B7R0.4 C=C(Cl)COCOC e9c971b961a0dc4c5fdf312f58d6132b [0,2,0,0,0,0|2,0,0]=4 688 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,2,0,0,0,0|2,0,0]=4 689 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,2,0,0,0,0|2,0,0]=4 690 B7R0.4 C=C(F)COCC=O 991067569a0b8c59acfbfec7abe6c1dd [0,2,0,0,0,0|0,0,2]=4 691 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.4 C=C(F)COCCF b7eb1549e162ff12acf84ad5b4d7b85c [0,2,0,0,0,0|2,0,0]=4 693 B7R0.4 C=C(F)COCCS 6f04acbd4df5b3ab276bec02cf9e105d [0,2,0,0,0,0|2,0,0]=4 694 B7R0.4 C=C(F)COCOC 22d1787a226644b1c135149de6654075 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,2,0,0,0,0|2,0,0]=4 696 B7R0.4 C=C(I)COCC=O 9efc69fa4611219ea35bee8334c7e9a5 [0,2,0,0,0,0|0,0,2]=4 697 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,2,0,0,0,0|1,0,0]=3 698 B7R0.4 C=C(I)COCCF a7f60a4ec955fff2b06cd1137598c7d9 [0,2,0,0,0,0|2,0,0]=4 699 B7R0.4 C=C(I)COCCS 5fc097c1866a8915a26e31c2327c798c [0,2,0,0,0,0|2,0,0]=4 700 B7R0.4 C=C(I)COCOC ab47bd677ec4bd30c526b4cd90bad9b3 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,2,0,0,0,0|1,0,1]=4 703 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [0,2,0,0,0,0|2,0,0]=4 704 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,2,0,0,0,0|2,0,0]=4 705 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [0,2,0,0,0,0|2,0,0]=4 707 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [0,2,0,0,0,0|2,0,0]=4 708 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [0,2,0,0,0,0|2,0,0]=4 709 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,2,0,0,0,0|1,0,1]=4 710 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,2,0,0,0,0|0,0,2]=4 711 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,2,0,0,0,0|0,0,2]=4 712 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,2,0,0,0,0|0,0,2]=4 713 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.4 C=CCOCC(C)F db539a456bd6752ebe10d7b23c41a2c2 [0,2,0,0,0,0|1,0,0]=3 715 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [0,2,0,0,0,0|1,0,0]=3 716 B7R0.4 C=CCOCC(F)F 01b8c5b05604a143ffc0985187ff216a [0,2,0,0,0,0|2,0,0]=4 717 B7R0.4 C=CCOC[C@@H](C)F 6fbef7cd23b7ad6df74ff1c9ada25c26 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.4 C=CCOC[C@H](C)F ee8f1a8a998027f3ef4fed8e2898cb78 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [0,2,0,0,0,0|1,0,1]=4 720 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [0,2,0,0,0,0|1,0,1]=4 721 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,2,0,0,0,0|1,0,1]=4 722 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,2,0,0,0,0|2,0,0]=4 724 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,2,0,0,0,0|2,0,0]=4 725 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,2,0,0,0,0|2,0,0]=4 726 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,2,0,0,0,0|1,0,1]=4 727 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,2,0,0,0,0|0,0,1]=3 728 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,2,0,0,0,0|1,0,0]=3 729 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,2,0,0,0,0|1,0,1]=4 731 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,2,0,0,0,0|1,0,0]=3 732 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,2,0,0,0,0|2,0,0]=4 734 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,2,0,0,0,0|2,0,0]=4 735 B7R0.4 CC(=O)OCNC#N 09ae158eda2ed3ea4692af8a683aae11 [0,2,0,0,0,0|1,0,1]=4 736 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [0,2,0,0,0,0|1,0,0]=3 737 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [0,2,0,0,0,0|1,0,0]=3 739 B7R0.4 CC(C)COCC#N 7cb07814ea2e3e867e4666ea75f57343 [0,2,0,0,0,0|1,0,1]=4 740 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [0,2,0,0,0,0|0,0,0]=2 741 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [0,2,0,0,0,0|1,0,1]=4 742 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [0,2,0,0,0,0|0,1,1]=4 743 B7R0.4 CC(C)OC/C=C/Cl 91491ffbe45b122c593493ce1ec28e21 [0,2,0,0,0,0|2,0,0]=4 744 B7R0.4 CC(C)OC/C=C\Cl 1e6b64e528b3b312db8e7f5d9f5e401f [0,2,0,0,0,0|2,0,0]=4 745 B7R0.4 CC(C)OCC=CCl 05c2ee32f696ac6fe468daf78fa733c3 [0,2,0,0,0,0|2,0,0]=4 746 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,2,0,0,0,0|1,0,0]=3 747 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [0,2,0,0,0,0|1,0,1]=4 749 B7R0.4 CC(F)COCC#N a50055924fe80e5e23e6e4b90c544f3c [0,2,0,0,0,0|1,0,1]=4 750 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [0,2,0,0,0,0|0,0,0]=2 751 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [0,2,0,0,0,0|1,0,1]=4 752 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [0,2,0,0,0,0|0,1,1]=4 753 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [0,2,0,0,0,0|1,0,0]=3 754 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.4 CC(S)COCC#N 8408de29b1c2dba038610c9179acde99 [0,2,0,0,0,0|1,0,1]=4 756 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [0,2,0,0,0,0|0,0,0]=2 757 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [0,2,0,0,0,0|0,1,1]=4 759 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,2,0,0,0,0|1,0,1]=4 760 B7R0.4 CC=CCNC(C)C fbbab91c5c0fa912c14bc0d774686380 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [0,2,0,0,0,0|2,0,0]=4 762 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,2,0,0,0,0|1,0,1]=4 764 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,2,0,0,0,0|1,0,0]=3 765 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,2,0,0,0,0|1,0,1]=4 768 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,2,0,0,0,0|0,0,0]=2 769 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,2,0,0,0,0|0,0,0]=2 770 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,2,0,0,0,0|0,0,0]=2 771 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,2,0,0,0,0|0,1,0]=3 772 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,2,0,0,0,0|1,0,1]=4 773 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,2,0,0,0,0|1,0,1]=4 774 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,2,0,0,0,0|0,1,1]=4 775 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [0,2,0,0,0,0|1,0,1]=4 776 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,2,0,0,0,0|1,0,1]=4 777 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,2,0,0,0,0|0,0,1]=3 778 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,2,0,0,0,0|1,0,1]=4 779 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,2,0,0,0,0|0,0,1]=3 781 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [0,2,0,0,0,0|2,0,0]=4 782 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,2,0,0,0,0|1,0,0]=3 783 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,2,0,0,0,0|1,0,0]=3 784 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,2,0,0,0,0|1,1,0]=4 785 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,2,0,0,0,0|2,0,0]=4 786 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,2,0,0,0,0|2,0,0]=4 787 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,2,0,0,0,0|2,0,0]=4 788 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,2,0,0,0,0|2,0,0]=4 789 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,2,0,0,0,0|2,0,0]=4 790 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.4 CCOCC=C(Cl)Cl aa420eee9e85e57fd046661e3d34ce27 [0,2,0,0,0,0|2,0,0]=4 792 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,2,0,0,0,0|1,0,0]=3 793 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,2,0,0,0,0|1,0,0]=3 794 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,2,0,0,0,0|1,0,1]=4 796 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [0,2,0,0,0,0|1,0,1]=4 797 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,2,0,0,0,0|1,0,1]=4 798 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,2,0,0,0,0|1,0,1]=4 799 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,2,0,0,0,0|2,0,0]=4 800 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,2,0,0,0,0|1,0,0]=3 801 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,2,0,0,0,0|1,0,0]=3 802 B7R0.4 CCOCOC(C)C fcb36bcabbd9c702db3bb59956b361ad [0,2,0,0,0,0|1,0,1]=4 803 B7R0.4 CN(C)CCNC=O f6c5ad5f38b9716c3e69f7010da88e20 [0,2,0,0,0,0|1,0,0]=3 804 B7R0.4 CN(C)CCOCF 8b70b7812206c4d5ded6c185d6862be3 [0,2,0,0,0,0|1,0,1]=4 805 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,2,0,0,0,0|1,0,0]=3 806 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,2,0,0,0,0|1,0,1]=4 807 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,2,0,0,0,0|2,0,0]=4 808 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,2,0,0,0,0|2,0,0]=4 810 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,2,0,0,0,0|1,0,0]=3 811 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,2,0,0,0,0|1,0,0]=3 812 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,2,0,0,0,0|1,0,0]=3 813 B7R0.4 COCOCC(=S)N ee294cd5168f479d523c3c4651082b74 [0,2,0,0,0,0|1,1,0]=4 814 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,2,0,0,0,0|0,0,2]=4 815 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,2,0,0,0,0|0,0,2]=4 816 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,2,0,0,0,0|0,0,2]=4 817 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,2,0,0,0,0|1,0,1]=4 818 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,2,0,0,0,0|0,0,2]=4 819 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,2,0,0,0,0|0,0,2]=4 820 B7R0.4 COCOC[N+](=O)[O-] 54bbc30812908559dc136bad18aef36a [0,2,0,0,0,0|1,0,1]=4 821 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [0,2,0,0,0,0|1,0,0]=3 822 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,2,0,0,0,0|1,0,1]=4 823 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,2,0,0,0,0|1,0,1]=4 825 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,2,0,0,0,0|2,0,0]=4 826 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,2,0,0,0,0|2,0,0]=4 827 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,2,0,0,0,0|2,0,0]=4 828 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,2,0,0,0,0|1,0,0]=3 829 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,2,0,0,0,0|1,0,0]=3 830 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,2,0,0,0,0|1,0,0]=3 831 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,2,0,0,0,0|1,1,0]=4 832 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,2,0,0,0,0|0,1,1]=4 833 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,2,0,0,0,0|0,1,1]=4 834 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,2,0,0,0,0|0,1,1]=4 835 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,2,0,0,0,0|1,0,1]=4 836 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,2,0,0,0,0|0,1,1]=4 837 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,2,0,0,0,0|0,1,1]=4 838 B7R0.4 C[C@@H](F)COCC#N 08d0d31917ae78b12467dce063805972 [0,2,0,0,0,0|1,0,1]=4 839 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [0,2,0,0,0,0|0,0,0]=2 840 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [0,2,0,0,0,0|1,0,1]=4 841 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [0,2,0,0,0,0|0,1,1]=4 842 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [0,2,0,0,0,0|1,0,0]=3 843 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [0,2,0,0,0,0|1,0,0]=3 844 B7R0.4 C[C@H](F)COCC#N 03e336d3456086811b7fb198988f0b95 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [0,2,0,0,0,0|0,0,0]=2 846 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [0,2,0,0,0,0|1,0,1]=4 847 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [0,2,0,0,0,0|0,1,1]=4 848 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [0,2,0,0,0,0|1,0,0]=3 849 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [0,2,0,0,0,0|1,0,0]=3 850 B7R0.4 FCOCCC(F)F c570be3bce6e9c5b08afdf06de91b339 [0,2,0,0,0,0|1,0,1]=4 851 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,2,0,0,0,0|1,0,1]=4 852 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,2,0,0,0,0|1,0,1]=4 853 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,2,0,0,0,0|1,0,1]=4 854 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,2,0,0,0,0|2,0,0]=4 855 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,2,0,0,0,0|2,0,0]=4 856 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,2,0,0,0,0|2,0,0]=4 857 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,2,0,0,0,0|2,0,0]=4 858 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,2,0,0,0,0|2,0,0]=4 859 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,2,0,0,0,0|2,0,0]=4 860 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,2,0,0,0,0|2,0,0]=4 861 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,2,0,0,0,0|2,0,0]=4 862 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,2,0,0,0,0|1,0,1]=4 863 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,2,0,0,0,0|1,0,0]=3 864 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,2,0,0,0,0|1,0,0]=3 865 B7R0.4 NC(=O)NCOCF 223fa95252602925b8cb08f5b19a776e [0,2,0,0,0,0|2,0,0]=4 866 B7R0.4 NC(=S)CCNC=O f6a23fd7dc0dc512f1366bbdac8ed6be [0,2,0,0,0,0|1,0,1]=4 867 B7R0.4 NC(=S)COCC=O df3e15a9d363d0003727879f2aca7634 [0,2,0,0,0,0|1,0,1]=4 868 B7R0.4 NC(=S)COCCF 8a5f1604a4177fa750cc685bdfff5a09 [0,2,0,0,0,0|1,1,0]=4 869 B7R0.4 NC(=S)COCCS d0f39cb8cbdd46f7cd10195660ea1028 [0,2,0,0,0,0|1,1,0]=4 870 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,2,0,0,0,0|2,0,0]=4 871 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,2,0,0,0,0|2,0,0]=4 872 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,2,0,0,0,0|2,0,0]=4 873 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,2,0,0,0,0|2,0,0]=4 874 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,2,0,0,0,0|2,0,0]=4 875 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,2,0,0,0,0|2,0,0]=4 876 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,2,0,0,0,0|2,0,0]=4 877 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,2,0,0,0,0|2,0,0]=4 878 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,2,0,0,0,0|1,0,0]=3 879 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,2,0,0,0,0|1,0,0]=3 880 B7R0.4 O=CCNCC(F)F 824b7b6840181b3cfa0b763b1d812fba [0,2,0,0,0,0|2,0,0]=4 881 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,2,0,0,0,0|1,0,1]=4 882 B7R0.4 O=CCOCC(F)F e1093cd74239d1a778019e251c691d5f [0,2,0,0,0,0|1,0,0]=3 883 B7R0.4 O=CCOCS(=O)O 141d1f578b26500f644754e34ae7763f [0,2,0,0,0,0|2,0,0]=4 884 B7R0.4 O=CNCCC(F)F 877595b7c20a3f088e215ffd3de33ece [0,2,0,0,0,0|1,0,0]=3 885 B7R0.4 O=CNCCS(=O)O 70e230477665e9d8fed41cd897568279 [0,2,0,0,0,0|2,0,0]=4 886 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [0,2,0,0,0,0|1,0,1]=4 887 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [0,2,0,0,0,0|1,0,1]=4 888 B7R0.4 O=[N+]([O-])COCCF 7f34e8cd8176ba8269c13784fe80127e [0,2,0,0,0,0|1,0,1]=4 889 B7R0.4 O=[N+]([O-])COCCS 3483ea2430a9838c713aea5e4187205b [0,2,0,0,0,0|1,0,1]=4 890 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,2,0,0,0,0|1,0,1]=4 891 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,2,0,0,0,0|1,0,1]=4 892 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,2,0,0,0,0|2,0,0]=4 893 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,2,0,0,0,0|2,0,0]=4 894 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,2,0,0,0,0|1,0,0]=3 895 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,2,0,0,0,0|1,0,0]=3 896 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,2,0,0,0,0|2,0,0]=4 897 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,2,0,0,0,0|1,0,0]=3 898 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,2,0,0,0,0|1,0,0]=3 899 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [0,2,0,0,0,0|1,0,1]=4 900 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,2,0,0,0,0|2,0,0]=4 901 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,2,0,0,0,0|2,0,0]=4 902 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,2,0,0,0,0|2,0,0]=4 903 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,2,0,0,0,0|2,0,0]=4 904 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [0,2,0,0,0,0|1,0,1]=4 905 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [0,2,0,0,0,0|1,0,1]=4 906 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [0,2,0,0,0,0|1,0,1]=4 907 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [0,2,0,0,0,0|1,0,1]=4 908 B7R0.8 CC(C)(Br)COCF a2ed6a616d532f8faaded75f8946e86e [0,2,0,0,0,0|1,0,1]=4 909 B7R0.8 CC(C)(C)CNC=O 62263fecd6dfd3bbe3846c082198510b [0,2,0,0,0,0|1,0,0]=3 910 B7R0.8 CC(C)(C)COCF 57dd80210ffbd1c389fc6f81c3e76251 [0,2,0,0,0,0|1,0,1]=4 911 B7R0.8 CC(C)(C)NCC=O 84f91e0185bc7a8cbf173006cc00a31e [0,2,0,0,0,0|2,0,0]=4 912 B7R0.8 CC(C)(F)COCF c2c8aa5e71579bf523c1627a80567a99 [0,2,0,0,0,0|1,0,1]=4 913 B7R0.8 CC(C)(O)CNC=O 342a9b6d29541cfeadb382656f3815a5 [0,2,0,0,0,0|1,0,0]=3 914 B7R0.8 CC(C)(S)COCF 5e5d9df6938dea8946b0e42a96b28fba [0,2,0,0,0,0|1,0,1]=4 915 B7R0.8 CC(F)(F)CNC=O 98b7d4b4560412215082fc8ac3d2ca18 [0,2,0,0,0,0|1,0,0]=3 916 B7R0.8 CC(F)(F)COCF 4195a39689eac05fc3a40e8b67d2ad2d [0,2,0,0,0,0|1,0,1]=4 917 B7R0.8 CCOCC(C)(C)Br c5fd84cd204c784fac27f51432de2345 [0,2,0,0,0,0|1,0,1]=4 918 B7R0.8 CCOCC(C)(C)C cbc6e6dff9d30de641f2a7020db5e172 [0,2,0,0,0,0|1,0,1]=4 919 B7R0.8 CCOCC(C)(C)F 4ceebf68b1b3af46558065e266734baa [0,2,0,0,0,0|1,0,1]=4 920 B7R0.8 CCOCC(C)(C)S a7e0d94172e2fed0c574a998a7210b49 [0,2,0,0,0,0|1,0,1]=4 921 B7R0.8 O=CNCC(F)(F)F 2bd6d97b47ac452122f9c7928fa58375 [0,2,0,0,0,0|2,0,0]=4 922 B7R0.1 C#CCCCNC=O 5eda6030f597033b63ed4419962aef56 [0,2,0,0,0,0|1,0,0]=3 923 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,2,0,0,0,0|1,0,1]=4 924 B7R0.1 C#CCCCOCF e2ca57ff624290ec22bd51b4b60747ec [0,2,0,0,0,0|1,0,1]=4 925 B7R0.1 C#CCCNCC=O 16b88da3a2d7872fd426d7c300d70129 [0,2,0,0,0,0|1,0,1]=4 926 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [0,2,0,0,0,0|1,0,1]=4 927 B7R0.1 C#CCCOCC=O a3696b61f345ee7931522dafcfd6d6eb [0,2,0,0,0,0|0,0,1]=3 928 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,2,0,0,0,0|1,0,1]=4 929 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [0,2,0,0,0,0|1,0,1]=4 930 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [0,2,0,0,0,0|0,0,2]=4 931 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,2,0,0,0,0|1,0,1]=4 932 B7R0.1 C#CCOCCCF 8e4a498daaa3abb486cffe02f0d9ca7f [0,2,0,0,0,0|1,0,1]=4 933 B7R0.1 C#CCOCCCS d2780b6c136095e09224f9173c87e1a2 [0,2,0,0,0,0|1,0,1]=4 934 B7R0.1 C#CCOCCOC ab714bdf8184b88d0365ec20253b9510 [0,2,0,0,0,0|1,0,1]=4 935 B7R0.1 C#CCOCCSC 435ea744643c84b597b66146e288d476 [0,2,0,0,0,0|1,0,1]=4 936 B7R0.1 C#CCOCOCC da2cc8333c6c199f28500fd01c717240 [0,2,0,0,0,0|1,0,1]=4 937 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,2,0,0,0,0|1,0,1]=4 938 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [0,2,0,0,0,0|1,0,1]=4 939 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [0,2,0,0,0,0|2,0,0]=4 940 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,2,0,0,0,0|2,0,0]=4 941 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [0,2,0,0,0,0|2,0,0]=4 942 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [0,2,0,0,0,0|2,0,0]=4 943 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [0,2,0,0,0,0|2,0,0]=4 944 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [0,2,0,0,0,0|2,0,0]=4 945 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,2,0,0,0,0|0,0,1]=3 946 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,2,0,0,0,0|1,0,0]=3 947 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [0,2,0,0,0,0|2,0,0]=4 948 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [0,2,0,0,0,0|2,0,0]=4 949 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [0,2,0,0,0,0|2,0,0]=4 950 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,2,0,0,0,0|2,0,0]=4 951 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [0,2,0,0,0,0|2,0,0]=4 952 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,2,0,0,0,0|2,0,0]=4 953 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [0,2,0,0,0,0|2,0,0]=4 954 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [0,2,0,0,0,0|2,0,0]=4 955 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [0,2,0,0,0,0|2,0,0]=4 956 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [0,2,0,0,0,0|2,0,0]=4 957 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,2,0,0,0,0|0,0,1]=3 958 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,2,0,0,0,0|1,0,0]=3 959 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [0,2,0,0,0,0|2,0,0]=4 960 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [0,2,0,0,0,0|2,0,0]=4 961 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [0,2,0,0,0,0|2,0,0]=4 962 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,2,0,0,0,0|2,0,0]=4 963 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [0,2,0,0,0,0|2,0,0]=4 964 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [0,2,0,0,0,0|1,0,0]=3 965 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,2,0,0,0,0|2,0,0]=4 966 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,2,0,0,0,0|2,0,0]=4 967 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,2,0,0,0,0|2,0,0]=4 968 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,2,0,0,0,0|1,0,1]=4 969 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,2,0,0,0,0|1,0,1]=4 970 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,2,0,0,0,0|1,0,1]=4 971 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,2,0,0,0,0|2,0,0]=4 972 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,2,0,0,0,0|2,0,0]=4 973 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,2,0,0,0,0|2,0,0]=4 974 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,2,0,0,0,0|2,0,0]=4 975 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,2,0,0,0,0|2,0,0]=4 976 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,2,0,0,0,0|2,0,0]=4 977 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,2,0,0,0,0|2,0,0]=4 978 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,2,0,0,0,0|2,0,0]=4 979 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,2,0,0,0,0|1,0,1]=4 980 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,2,0,0,0,0|0,0,1]=3 981 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,2,0,0,0,0|1,0,0]=3 982 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,2,0,0,0,0|2,0,0]=4 983 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,2,0,0,0,0|2,0,0]=4 984 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,2,0,0,0,0|2,0,0]=4 985 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,2,0,0,0,0|2,0,0]=4 986 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,2,0,0,0,0|2,0,0]=4 987 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,2,0,0,0,0|2,0,0]=4 988 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,2,0,0,0,0|2,0,0]=4 989 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,2,0,0,0,0|2,0,0]=4 990 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,2,0,0,0,0|2,0,0]=4 991 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,2,0,0,0,0|1,0,1]=4 992 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,2,0,0,0,0|1,0,1]=4 993 B7R0.1 C=CCOCC#CC 4cc7727639fb0b04e42f95bf905e56dc [0,2,0,0,0,0|1,0,1]=4 994 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,2,0,0,0,0|1,0,1]=4 995 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [0,2,0,0,0,0|1,0,1]=4 996 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,2,0,0,0,0|0,0,2]=4 997 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,2,0,0,0,0|1,0,0]=3 998 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,2,0,0,0,0|1,0,0]=3 999 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,2,0,0,0,0|1,0,0]=3 1000 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,2,0,0,0,0|1,0,0]=3 1001 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,2,0,0,0,0|1,0,0]=3 1002 B7R0.1 C=COCCNC=O 7ffcb3447840a0b895742093e8d4046d [0,2,0,0,0,0|1,0,1]=4 1003 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,2,0,0,0,0|1,0,0]=3 1004 B7R0.1 C=COCCNCF 3ba58790b2f94dae0082c66f02d661b4 [0,2,0,0,0,0|1,0,0]=3 1005 B7R0.1 C=COCCNCO 86b2fb60b2800713957c117bad818dd0 [0,2,0,0,0,0|1,0,0]=3 1006 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,2,0,0,0,0|1,0,0]=3 1007 B7R0.1 C=COCCOCF b7f6077cb09eeaf4f3fbc2b47e09278f [0,2,0,0,0,0|1,0,0]=3 1008 B7R0.1 CC#CCCOCC 57277b2d6042ec0ef25dc33b854150f3 [0,2,0,0,0,0|1,0,1]=4 1009 B7R0.1 CC#CCCOCF 4dd70dd8fd8335ae75c095064dddb38e [0,2,0,0,0,0|1,0,1]=4 1010 B7R0.1 CC#CCNCC=O 3b9af0779acfe3ab0ba04aa531b5bc50 [0,2,0,0,0,0|1,0,1]=4 1011 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [0,2,0,0,0,0|0,0,1]=3 1012 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [0,2,0,0,0,0|1,0,1]=4 1013 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [0,2,0,0,0,0|1,0,1]=4 1014 B7R0.1 CC/C=C/COCF 76630f28c8771d1514152e0bc31d0edd [0,2,0,0,0,0|1,0,1]=4 1015 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [0,2,0,0,0,0|1,0,1]=4 1016 B7R0.1 CC/C=C\COCF 3d97aa00a2febfaa2982d62e55da7929 [0,2,0,0,0,0|1,0,1]=4 1017 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [0,2,0,0,0,0|1,0,1]=4 1018 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,2,0,0,0,0|2,0,0]=4 1019 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [0,2,0,0,0,0|2,0,0]=4 1020 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [0,2,0,0,0,0|2,0,0]=4 1021 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [0,2,0,0,0,0|2,0,0]=4 1022 B7R0.1 CC=CCNCOC 73d7e5b400a3c19246130fd6dd29e005 [0,2,0,0,0,0|2,0,0]=4 1023 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [0,2,0,0,0,0|2,0,0]=4 1024 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,2,0,0,0,0|0,0,1]=3 1025 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,2,0,0,0,0|1,0,0]=3 1026 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [0,2,0,0,0,0|2,0,0]=4 1027 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [0,2,0,0,0,0|2,0,0]=4 1028 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [0,2,0,0,0,0|2,0,0]=4 1029 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,2,0,0,0,0|2,0,0]=4 1030 B7R0.1 CCC#CCOCC 2380cee045d437f419c16dee1b838b64 [0,2,0,0,0,0|1,0,1]=4 1031 B7R0.1 CCC#CCOCF 6df71f2cb6d7ef4d5014d348e265b820 [0,2,0,0,0,0|1,0,1]=4 1032 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,2,0,0,0,0|1,0,0]=3 1033 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,2,0,0,0,0|1,0,1]=4 1034 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,2,0,0,0,0|1,0,1]=4 1035 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,2,0,0,0,0|1,0,0]=3 1036 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,2,0,0,0,0|1,0,1]=4 1037 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,2,0,0,0,0|0,0,0]=2 1038 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,2,0,0,0,0|1,0,1]=4 1039 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,2,0,0,0,0|1,0,1]=4 1040 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,2,0,0,0,0|0,1,1]=4 1041 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,2,0,0,0,0|0,0,2]=4 1042 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,2,0,0,0,0|0,1,1]=4 1043 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,2,0,0,0,0|2,0,0]=4 1044 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,2,0,0,0,0|2,0,0]=4 1045 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,2,0,0,0,0|1,0,1]=4 1046 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,2,0,0,0,0|1,0,0]=3 1047 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,2,0,0,0,0|1,0,1]=4 1048 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,2,0,0,0,0|1,0,0]=3 1049 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,2,0,0,0,0|1,0,0]=3 1050 B7R0.1 CCCOCC#CI b3fbe418429aadfd38d92dd1bfb760b4 [0,2,0,0,0,0|1,0,1]=4 1051 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,2,0,0,0,0|1,0,0]=3 1052 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,2,0,0,0,0|1,0,1]=4 1053 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,2,0,0,0,0|0,0,0]=2 1054 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,2,0,0,0,0|1,0,1]=4 1055 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,2,0,0,0,0|0,1,1]=4 1056 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,2,0,0,0,0|0,0,2]=4 1057 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,2,0,0,0,0|0,1,1]=4 1058 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,2,0,0,0,0|0,0,2]=4 1059 B7R0.1 CCCOCSC#N 8be972fdc3f8d6a5b275bb3b76884793 [0,2,0,0,0,0|0,1,1]=4 1060 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,2,0,0,0,0|1,0,1]=4 1061 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,2,0,0,0,0|1,0,0]=3 1062 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,2,0,0,0,0|1,0,1]=4 1063 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,2,0,0,0,0|1,0,0]=3 1064 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,2,0,0,0,0|1,0,1]=4 1065 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,2,0,0,0,0|1,0,1]=4 1066 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,2,0,0,0,0|1,0,1]=4 1067 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,2,0,0,0,0|1,0,1]=4 1068 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,2,0,0,0,0|1,0,0]=3 1069 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,2,0,0,0,0|1,0,1]=4 1070 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,2,0,0,0,0|1,0,1]=4 1071 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,2,0,0,0,0|0,0,0]=2 1072 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,2,0,0,0,0|1,0,1]=4 1073 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,2,0,0,0,0|1,0,1]=4 1074 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,2,0,0,0,0|1,0,1]=4 1075 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,2,0,0,0,0|1,0,1]=4 1076 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,2,0,0,0,0|1,0,1]=4 1077 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,2,0,0,0,0|1,0,1]=4 1078 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,2,0,0,0,0|1,0,1]=4 1079 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,2,0,0,0,0|1,0,1]=4 1080 B7R0.1 CCOCOCC#N 4fd83c3b911d632bd32bce6b5617b133 [0,2,0,0,0,0|1,0,1]=4 1081 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,2,0,0,0,0|0,1,1]=4 1082 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [0,2,0,0,0,0|0,0,2]=4 1083 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,2,0,0,0,0|1,0,0]=3 1084 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,2,0,0,0,0|1,0,1]=4 1085 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,2,0,0,0,0|1,0,0]=3 1086 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,2,0,0,0,0|1,0,1]=4 1087 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,2,0,0,0,0|1,0,0]=3 1088 B7R0.1 COCCOCC#N b90956fc2162334882ae018cf0cd9999 [0,2,0,0,0,0|1,0,1]=4 1089 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,2,0,0,0,0|0,0,0]=2 1090 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,2,0,0,0,0|1,0,1]=4 1091 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,2,0,0,0,0|0,1,1]=4 1092 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,2,0,0,0,0|0,0,2]=4 1093 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,2,0,0,0,0|0,1,1]=4 1094 B7R0.1 COCOC/C=C/Cl 994ae41b4f65c0a98c067e16a7bbebbc [0,2,0,0,0,0|2,0,0]=4 1095 B7R0.1 COCOC/C=C\Cl a8345f466233c47094d9b334a81e738d [0,2,0,0,0,0|2,0,0]=4 1096 B7R0.1 COCOCC=CCl 9a66c372107792a1368a8939a87e14d7 [0,2,0,0,0,0|2,0,0]=4 1097 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,2,0,0,0,0|1,0,0]=3 1098 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,2,0,0,0,0|0,0,2]=4 1099 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,2,0,0,0,0|0,0,2]=4 1100 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [0,2,0,0,0,0|0,0,2]=4 1101 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,2,0,0,0,0|1,0,0]=3 1102 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [0,2,0,0,0,0|1,0,1]=4 1103 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,2,0,0,0,0|1,0,0]=3 1104 B7R0.1 CSCCOCC#N 60b29e5b38003acb06d04b0849bbc3aa [0,2,0,0,0,0|1,0,1]=4 1105 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,2,0,0,0,0|0,0,0]=2 1106 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,2,0,0,0,0|1,0,1]=4 1107 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,2,0,0,0,0|0,1,1]=4 1108 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [0,2,0,0,0,0|0,1,1]=4 1109 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [0,2,0,0,0,0|2,0,0]=4 1110 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [0,2,0,0,0,0|2,0,0]=4 1111 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,2,0,0,0,0|1,0,0]=3 1112 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,2,0,0,0,0|0,1,1]=4 1113 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,2,0,0,0,0|0,1,1]=4 1114 B7R0.1 Cl/C=C/CNCCBr a898c9c27585bc3f60539dac3c0676de [0,2,0,0,0,0|2,0,0]=4 1115 B7R0.1 Cl/C=C/CNCCI 00a1dbdade9235bd22d961e7e472f561 [0,2,0,0,0,0|2,0,0]=4 1116 B7R0.1 Cl/C=C\CNCCBr 5f9e738d1cd916d21483c573b3f77f77 [0,2,0,0,0,0|2,0,0]=4 1117 B7R0.1 Cl/C=C\CNCCI e11b10ba04c65ae9ec95fcacb63f0157 [0,2,0,0,0,0|2,0,0]=4 1118 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,2,0,0,0,0|1,0,1]=4 1119 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,2,0,0,0,0|1,0,1]=4 1120 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,2,0,0,0,0|0,1,1]=4 1121 B7R0.1 FCCNC/C=C/Cl b7b23ef958164209035bee1843d8e204 [0,2,0,0,0,0|2,0,0]=4 1122 B7R0.1 FCCNC/C=C\Cl 65ef3070ca813d4e1121d72cff14c99e [0,2,0,0,0,0|2,0,0]=4 1123 B7R0.1 FCCOC/C=C/Cl dc97194a3b37f111390ae9c49092a7c4 [0,2,0,0,0,0|2,0,0]=4 1124 B7R0.1 FCCOC/C=C\Cl 4bede6a33603c0090a93c5765bbe74a4 [0,2,0,0,0,0|2,0,0]=4 1125 B7R0.1 FCCOCC=CCl 92ca73e0aad22b80104a1e8aba43942a [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,2,0,0,0,0|1,0,1]=4 1127 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,2,0,0,0,0|1,0,1]=4 1128 B7R0.1 N#CCCCNC=O 2ee9339659cd26f3551604e3c373e82a [0,2,0,0,0,0|1,0,0]=3 1129 B7R0.1 N#CCCCOCF 20aba03032603549301f549b721d3f57 [0,2,0,0,0,0|1,0,1]=4 1130 B7R0.1 N#CCCNCC=O ace8d58a49015f6f4f2a2096c27596fb [0,2,0,0,0,0|1,0,1]=4 1131 B7R0.1 N#CCCOCC=O f5635aa9ec061d3761bd48ab3dabbef3 [0,2,0,0,0,0|0,0,1]=3 1132 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [0,2,0,0,0,0|1,0,1]=4 1133 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [0,2,0,0,0,0|1,0,1]=4 1134 B7R0.1 N#CCOCCCF 0987b6cf0dc97782d95acca8f31d2cc8 [0,2,0,0,0,0|1,0,1]=4 1135 B7R0.1 N#CCOCCCS 3c2defd9fab2628e3af6d6b3cfddb262 [0,2,0,0,0,0|1,0,1]=4 1136 B7R0.1 N#CNCCCC=O de6c2527b5c583058557280e038afe12 [0,2,0,0,0,0|1,0,1]=4 1137 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,2,0,0,0,0|2,0,0]=4 1138 B7R0.1 O/C=C\CNCCBr 78bf6909c3dee8af6d6cdaed4572acf8 [0,2,0,0,0,0|1,0,1]=4 1139 B7R0.1 O/C=C\CNCCF 4dd7dedef3f23a2dff56fd2bf610c971 [0,2,0,0,0,0|1,0,1]=4 1140 B7R0.1 O/C=C\CNCCI 45e0f365c7fdd440595555325ab875e7 [0,2,0,0,0,0|1,0,1]=4 1141 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [0,2,0,0,0,0|1,0,1]=4 1142 B7R0.1 O/C=C\CNCCS 85de73db1b0a9675523938141a7b3b56 [0,2,0,0,0,0|1,0,1]=4 1143 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [0,2,0,0,0,0|1,0,1]=4 1144 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,2,0,0,0,0|1,0,0]=3 1145 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,2,0,0,0,0|1,0,0]=3 1146 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,2,0,0,0,0|1,0,0]=3 1147 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,2,0,0,0,0|1,0,0]=3 1148 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,2,0,0,0,0|1,0,0]=3 1149 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,2,0,0,0,0|1,0,0]=3 1150 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,2,0,0,0,0|0,0,1]=3 1151 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,2,0,0,0,0|1,0,0]=3 1152 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,2,0,0,0,0|1,0,0]=3 1153 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,2,0,0,0,0|1,0,0]=3 1154 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,2,0,0,0,0|1,0,0]=3 1155 B7R0.1 O=CCOC/C=C/Cl cbcd43346ec6887de6b80889a96d13f3 [0,2,0,0,0,0|0,0,2]=4 1156 B7R0.1 O=CCOCC#CI 93cf4705f161321abdff65ea9fb521f4 [0,2,0,0,0,0|0,0,2]=4 1157 B7R0.1 O=CCOCC=CCl 5a42fc503acbf6c888269c65a98eaab1 [0,2,0,0,0,0|0,0,2]=4 1158 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,2,0,0,0,0|0,0,0]=2 1159 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,2,0,0,0,0|0,0,0]=2 1160 B7R0.1 O=CNCC#CCO de36c027e3f97477ee098e50b3b66fc9 [0,2,0,0,0,0|1,0,1]=4 1161 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,2,0,0,0,0|1,0,0]=3 1162 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,2,0,0,0,0|1,0,0]=3 1163 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,2,0,0,0,0|1,0,0]=3 1164 B7R0.1 O=CNCCOCF 8eb92d4268cefac9fa43b7283baf8468 [0,2,0,0,0,0|1,0,0]=3 1165 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [0,2,0,0,0,0|0,0,0]=2 1166 B7R0.1 OCCNC/C=C/Cl cae43086b9ac4b7eeca23dcc586cee54 [0,2,0,0,0,0|2,0,0]=4 1167 B7R0.1 OCCNC/C=C\Cl f9fe1454ccf622f841e9c6f545c3d7f2 [0,2,0,0,0,0|2,0,0]=4 1168 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,2,0,0,0,0|0,1,1]=4 1169 B7R0.1 SCCNC/C=C/Cl 58611a5a7bd77ac2c4a64663c742d1ef [0,2,0,0,0,0|2,0,0]=4 1170 B7R0.1 SCCNC/C=C\Cl c85523c5f50163c82350c1ac2d0a1c6d [0,2,0,0,0,0|2,0,0]=4 1171 B7R0.1 SCCOC/C=C/Cl 2290f8b86457030238798819e28c69e8 [0,2,0,0,0,0|2,0,0]=4 1172 B7R0.1 SCCOC/C=C\Cl a4e7cdee69690eb63831ad52adb243f6 [0,2,0,0,0,0|2,0,0]=4 1173 B7R0.1 SCCOCC=CCl 7bef249009c91ae7b2a1a8047a4ea984 [0,2,0,0,0,0|2,0,0]=4 1174 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [0,1,0,1,0,0|2,0,0]=4 1175 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [0,1,0,1,0,0|1,0,1]=4 1176 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,1,0,0|1,0,0]=3 1177 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,1,0,1,0,0|1,0,0]=3 1178 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,1,0,1,0,0|2,0,0]=4 1179 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,1,0,1,0,0|1,0,1]=4 1180 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,1,0,1,0,0|1,0,1]=4 1181 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,1,0,1,0,0|1,0,1]=4 1182 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [0,1,0,1,0,0|1,0,1]=4 1183 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [0,1,0,1,0,0|1,0,1]=4 1184 B7R1.6 FCOC1CSC1 c3629ce88eeefd302ac1510ed7a5efdb [0,1,0,1,0,0|1,0,1]=4 1185 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [0,1,0,1,0,0|1,0,0]=3 1186 B7R1.6 O=CNC1COC1 910edb395eecbce8af210d974d8d054c [0,1,0,1,0,0|1,0,0]=3 1187 B7R1.10 O=CN1CC(C1)F 10673579aa5b90bc9fa1305ce11b0f6e [0,1,0,1,0,0|1,0,0]=3 1188 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [0,1,0,1,0,0|1,0,0]=3 1189 B7R1.21 CC1(CC1)NC=O 07b8dc5a3dd0a56dffd330aa7b75c69f [0,1,0,1,0,0|1,0,0]=3 1190 B7R1.22 CN(C=O)C1CC1 928f5a4e3607cba3f0183c684f92be70 [0,1,0,1,0,0|1,0,0]=3 1191 B7R1.7 C#CCOC1CC1 5fdc8972237e2849d78e13ef5a1a79ef [0,1,0,1,0,0|1,0,1]=4 1192 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [0,1,0,1,0,0|2,0,0]=4 1193 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [0,1,0,1,0,0|1,0,0]=3 1194 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,1,0,1,0,0|1,0,1]=4 1195 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [0,1,0,1,0,0|1,0,1]=4 1196 B7R1.7 COCOC1CC1 026a9c25eccde58eb88281f1e9079e4e [0,1,0,1,0,0|0,0,2]=4 1197 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [0,1,0,1,0,0|0,1,1]=4 1198 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [0,1,0,1,0,0|1,0,1]=4 1199 B7R1.7 FCOCC1CC1 ca8fac99f1600978aadc627ea28dfc26 [0,1,0,1,0,0|1,0,1]=4 1200 B7R1.7 N#CCOC1CC1 d7c2e7fafb0b43edd26a7ce548ab2216 [0,1,0,1,0,0|1,0,1]=4 1201 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [0,1,0,1,0,0|1,0,0]=3 1202 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [0,1,0,1,0,0|0,0,0]=2 1203 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [0,1,0,1,0,0|1,0,0]=3 1204 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [0,1,0,1,0,0|0,1,1]=4 1205 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,1,0,1,0,0|1,0,0]=3 1206 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,1,0,1,0,0|1,0,0]=3 1207 B7R1.20 CC(C)OC1CC1 2ba1c960117d477fcaacedd25b727831 [0,1,0,1,0,0|1,0,1]=4 1208 B7R1.23 CC1(CN1C=O)C 554667b638ac8d632390465d91f13ad0 [0,1,0,1,0,0|1,0,0]=3